USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) HEADER HORMONE/GROWTH FACTOR 06-MAR-02 1L5D TITLE SOLUTION STRUCTURE OF THE MONOMERIC FORM OF A MUTANT TITLE 2 UNLIGANDED BOVINE NEUROPHYSIN, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: NEUROPHYSIN 1; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE)PLYS-S; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: T7 KEYWDS TWO 4-STRAND BETA SHEET, 3,10-HELIX, HORMONE/GROWTH FACTOR KEYWDS 2 COMPLEX EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR T.L.NGUYEN,E.BRESLOW REVDAT 3 24-FEB-09 1L5D 1 VERSN REVDAT 2 22-MAY-02 1L5D 1 JRNL REVDAT 1 20-MAR-02 1L5D 0 JRNL AUTH T.L.NGUYEN,E.BRESLOW JRNL TITL NMR ANALYSIS OF THE MONOMERIC FORM OF A MUTANT JRNL TITL 2 UNLIGANDED BOVINE NEUROPHYSIN: COMPARISON WITH THE JRNL TITL 3 CRYSTAL STRUCTURE OF A NEUROPHYSIN DIMER. JRNL REF BIOCHEMISTRY V. 41 5920 2002 JRNL REFN ISSN 0006-2960 JRNL PMID 11980496 JRNL DOI 10.1021/BI012067K REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 0.9 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON 811 NOE- REMARK 3 DERIVED DISTANCE CONSTRAINTS, 50 HYDROGEN BOND DISTANCE REMARK 3 RESTRAINTS, 72 TORSION ANGLE CONSTRAINTS, 46 JNHA COUPLING REMARK 3 CONSTANTS, 157 CA/CB AND 108 1H CHEMICAL SHIFT RESTRAINTS AND REMARK 3 THE PAIRING OF THE PROTEIN'S 7 DISULFIDES REMARK 4 REMARK 4 1L5D COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-MAR-02. REMARK 100 THE RCSB ID CODE IS RCSB015655. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283; 298; 303 REMARK 210 PH : 7.5; 7.5; 7.5 REMARK 210 IONIC STRENGTH : NULL; NULL; NULL REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1.4 MM H80E OF BOVINE REMARK 210 NEUROPHYSIN I U-15N; 90% H2O, REMARK 210 10% D2O; 1.4 MM H80E OF BOVINE REMARK 210 NEUROPHYSIN I U-15N, 13C; 90% REMARK 210 H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, HNHA, REMARK 210 3D_13C-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, NMRVIEW 4.1, CNS REMARK 210 0.9, TALOS REMARK 210 METHOD USED : SIMULATED ANNEALING 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O ALA A 69 N GLY A 71 2.12 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 VAL A 2 159.26 -46.67 REMARK 500 ASP A 4 -71.15 -77.66 REMARK 500 LEU A 5 -137.09 -141.42 REMARK 500 THR A 9 79.85 47.15 REMARK 500 CYS A 10 178.29 -54.56 REMARK 500 PRO A 12 -174.06 -54.40 REMARK 500 PHE A 22 -34.06 -140.72 REMARK 500 LEU A 32 34.06 -157.06 REMARK 500 SER A 52 107.07 -28.34 REMARK 500 PRO A 53 105.09 -57.57 REMARK 500 GLN A 55 137.18 -24.92 REMARK 500 PRO A 60 156.10 -39.78 REMARK 500 SER A 63 41.72 -93.31 REMARK 500 ALA A 68 -99.23 -154.16 REMARK 500 ALA A 69 -169.92 -73.13 REMARK 500 ALA A 70 75.59 -39.31 REMARK 500 ASP A 86 -29.14 167.20 REMARK 500 PRO A 87 -73.49 -102.09 REMARK 500 ALA A 89 -158.01 -76.76 REMARK 500 ALA A 90 -173.18 -67.69 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1NPO RELATED DB: PDB REMARK 900 BOVINE NEUROPHYSIN II COMPLEX WITH OXYTOCIN REMARK 900 RELATED ID: 2BN2 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF BOVINE NEUROPHYSIN II COMPLEXED WITH REMARK 900 THE VASOPRESSIN ANALOGUE PHE-TYR-AMIDE REMARK 900 RELATED ID: 1L5C RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE MONOMERIC FORM OF A MUTANT REMARK 900 UNLIGANDED BOVINE NEUROPHYSIN, 20 STRUCTURES. DBREF 1L5D A 1 92 UNP P01175 NEU1_BOVIN 32 123 SEQADV 1L5D GLU A 80 UNP P01175 HIS 111 ENGINEERED SEQRES 1 A 92 ALA VAL LEU ASP LEU ASP VAL ARG THR CYS LEU PRO CYS SEQRES 2 A 92 GLY PRO GLY GLY LYS GLY ARG CYS PHE GLY PRO SER ILE SEQRES 3 A 92 CYS CYS GLY ASP GLU LEU GLY CYS PHE VAL GLY THR ALA SEQRES 4 A 92 GLU ALA LEU ARG CYS GLN GLU GLU ASN TYR LEU PRO SER SEQRES 5 A 92 PRO CYS GLN SER GLY GLN LYS PRO CYS GLY SER GLY GLY SEQRES 6 A 92 ARG CYS ALA ALA ALA GLY ILE CYS CYS SER PRO ASP GLY SEQRES 7 A 92 CYS GLU GLU ASP PRO ALA CYS ASP PRO GLU ALA ALA PHE SEQRES 8 A 92 SER HELIX 1 1 THR A 38 TYR A 49 5 12 SHEET 1 A 2 PRO A 12 CYS A 13 0 SHEET 2 A 2 GLY A 19 ARG A 20 -1 O GLY A 19 N CYS A 13 SHEET 1 B 2 ILE A 26 GLY A 29 0 SHEET 2 B 2 LEU A 32 VAL A 36 -1 O GLY A 33 N GLY A 29 SHEET 1 C 4 PRO A 60 CYS A 61 0 SHEET 2 C 4 GLY A 65 CYS A 67 -1 O GLY A 65 N CYS A 61 SHEET 3 C 4 ILE A 72 CYS A 74 -1 O CYS A 74 N ARG A 66 SHEET 4 C 4 CYS A 79 GLU A 81 -1 O GLU A 80 N CYS A 73 SSBOND *** CYS A 10 CYS A 54 1555 1555 2.04 SSBOND *** CYS A 13 CYS A 27 1555 1555 2.03 SSBOND *** CYS A 21 CYS A 44 1555 1555 2.03 SSBOND *** CYS A 28 CYS A 34 1555 1555 2.02 SSBOND *** CYS A 61 CYS A 73 1555 1555 2.03 SSBOND *** CYS A 67 CYS A 85 1555 1555 2.03 SSBOND *** CYS A 74 CYS A 79 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -147:sc= 0.6 (180deg=-0.299) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.821 USER MOD Single : A 45 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.15) USER MOD Single : A 48 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.2) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.422 K(o=-0.42,f=-2.1!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.83 K(o=-1.8,f=-2.5) USER MOD Single : A 59 LYS NZ :NH3+ 141:sc= 0.965 (180deg=-0.178) USER MOD Single : A 63 SER OG : rot -160:sc= 0.838 USER MOD Single : A 75 SER OG : rot -93:sc= 1.27 USER MOD Single : A 92 SER OG : rot 174:sc= -2.03! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 123.514 12.721 -0.361 1.00 8.46 N ATOM 2 CA ALA A 1 123.096 12.680 -1.785 1.00 7.82 C ATOM 3 C ALA A 1 121.682 13.208 -1.940 1.00 6.81 C ATOM 4 O ALA A 1 120.772 12.777 -1.231 1.00 6.47 O ATOM 5 CB ALA A 1 123.179 11.261 -2.324 1.00 8.49 C ATOM 0 H1 ALA A 1 124.484 12.356 -0.273 1.00 8.46 H new ATOM 0 H2 ALA A 1 123.481 13.702 -0.018 1.00 8.46 H new ATOM 0 H3 ALA A 1 122.871 12.133 0.207 1.00 8.46 H new ATOM 0 HA ALA A 1 123.774 13.314 -2.356 1.00 7.82 H new ATOM 0 HB1 ALA A 1 122.869 11.250 -3.369 1.00 8.49 H new ATOM 0 HB2 ALA A 1 124.205 10.902 -2.246 1.00 8.49 H new ATOM 0 HB3 ALA A 1 122.522 10.612 -1.744 1.00 8.49 H new ATOM 13 N VAL A 2 121.493 14.133 -2.875 1.00 6.59 N ATOM 14 CA VAL A 2 120.172 14.694 -3.118 1.00 5.84 C ATOM 15 C VAL A 2 119.145 13.579 -3.197 1.00 4.67 C ATOM 16 O VAL A 2 119.492 12.423 -3.439 1.00 4.44 O ATOM 17 CB VAL A 2 120.116 15.506 -4.429 1.00 6.29 C ATOM 18 CG1 VAL A 2 120.562 16.942 -4.197 1.00 7.19 C ATOM 19 CG2 VAL A 2 120.956 14.842 -5.513 1.00 6.74 C ATOM 0 H VAL A 2 122.231 14.506 -3.471 1.00 6.59 H new ATOM 0 HA VAL A 2 119.952 15.365 -2.288 1.00 5.84 H new ATOM 0 HB VAL A 2 119.081 15.527 -4.770 1.00 6.29 H new ATOM 0 HG11 VAL A 2 120.514 17.494 -5.136 1.00 7.19 H new ATOM 0 HG12 VAL A 2 119.906 17.413 -3.465 1.00 7.19 H new ATOM 0 HG13 VAL A 2 121.586 16.949 -3.824 1.00 7.19 H new ATOM 0 HG21 VAL A 2 120.902 15.432 -6.428 1.00 6.74 H new ATOM 0 HG22 VAL A 2 121.993 14.780 -5.183 1.00 6.74 H new ATOM 0 HG23 VAL A 2 120.575 13.839 -5.705 1.00 6.74 H new ATOM 29 N LEU A 3 117.889 13.920 -2.991 1.00 4.16 N ATOM 30 CA LEU A 3 116.848 12.949 -3.036 1.00 3.33 C ATOM 31 C LEU A 3 116.667 12.436 -4.442 1.00 3.42 C ATOM 32 O LEU A 3 116.993 13.121 -5.411 1.00 4.15 O ATOM 33 CB LEU A 3 115.553 13.571 -2.534 1.00 3.59 C ATOM 34 CG LEU A 3 115.349 13.466 -1.032 1.00 3.86 C ATOM 35 CD1 LEU A 3 115.943 12.160 -0.551 1.00 3.32 C ATOM 36 CD2 LEU A 3 115.989 14.649 -0.313 1.00 4.86 C ATOM 0 H LEU A 3 117.577 14.870 -2.791 1.00 4.16 H new ATOM 0 HA LEU A 3 117.117 12.109 -2.396 1.00 3.33 H new ATOM 0 HB2 LEU A 3 115.535 14.623 -2.818 1.00 3.59 H new ATOM 0 HB3 LEU A 3 114.714 13.090 -3.037 1.00 3.59 H new ATOM 0 HG LEU A 3 114.283 13.487 -0.808 1.00 3.86 H new ATOM 0 HD11 LEU A 3 115.803 12.072 0.526 1.00 3.32 H new ATOM 0 HD12 LEU A 3 115.446 11.328 -1.051 1.00 3.32 H new ATOM 0 HD13 LEU A 3 117.008 12.138 -0.782 1.00 3.32 H new ATOM 0 HD21 LEU A 3 115.830 14.552 0.761 1.00 4.86 H new ATOM 0 HD22 LEU A 3 117.059 14.666 -0.521 1.00 4.86 H new ATOM 0 HD23 LEU A 3 115.536 15.576 -0.664 1.00 4.86 H new ATOM 48 N ASP A 4 116.163 11.219 -4.549 1.00 3.18 N ATOM 49 CA ASP A 4 115.967 10.623 -5.820 1.00 3.99 C ATOM 50 C ASP A 4 114.717 11.191 -6.480 1.00 4.70 C ATOM 51 O ASP A 4 114.789 11.940 -7.455 1.00 5.03 O ATOM 52 CB ASP A 4 115.889 9.113 -5.669 1.00 4.09 C ATOM 53 CG ASP A 4 116.622 8.369 -6.774 1.00 5.28 C ATOM 54 OD1 ASP A 4 116.388 8.680 -7.960 1.00 5.84 O ATOM 55 OD2 ASP A 4 117.433 7.476 -6.447 1.00 5.92 O ATOM 0 H ASP A 4 115.887 10.638 -3.757 1.00 3.18 H new ATOM 0 HA ASP A 4 116.812 10.854 -6.468 1.00 3.99 H new ATOM 0 HB2 ASP A 4 116.309 8.827 -4.705 1.00 4.09 H new ATOM 0 HB3 ASP A 4 114.843 8.807 -5.664 1.00 4.09 H new ATOM 60 N LEU A 5 113.581 10.807 -5.932 1.00 5.20 N ATOM 61 CA LEU A 5 112.297 11.222 -6.405 1.00 6.09 C ATOM 62 C LEU A 5 111.336 11.481 -5.237 1.00 6.12 C ATOM 63 O LEU A 5 111.724 12.115 -4.255 1.00 5.77 O ATOM 64 CB LEU A 5 111.791 10.149 -7.337 1.00 7.14 C ATOM 65 CG LEU A 5 112.020 8.701 -6.889 1.00 7.34 C ATOM 66 CD1 LEU A 5 111.434 8.421 -5.540 1.00 7.45 C ATOM 67 CD2 LEU A 5 111.489 7.729 -7.938 1.00 8.25 C ATOM 0 H LEU A 5 113.536 10.183 -5.127 1.00 5.20 H new ATOM 0 HA LEU A 5 112.369 12.167 -6.943 1.00 6.09 H new ATOM 0 HB2 LEU A 5 110.721 10.298 -7.482 1.00 7.14 H new ATOM 0 HB3 LEU A 5 112.266 10.287 -8.308 1.00 7.14 H new ATOM 0 HG LEU A 5 113.096 8.555 -6.794 1.00 7.34 H new ATOM 0 HD11 LEU A 5 111.624 7.382 -5.269 1.00 7.45 H new ATOM 0 HD12 LEU A 5 111.892 9.078 -4.801 1.00 7.45 H new ATOM 0 HD13 LEU A 5 110.359 8.599 -5.566 1.00 7.45 H new ATOM 0 HD21 LEU A 5 111.659 6.705 -7.605 1.00 8.25 H new ATOM 0 HD22 LEU A 5 110.420 7.892 -8.077 1.00 8.25 H new ATOM 0 HD23 LEU A 5 112.007 7.894 -8.882 1.00 8.25 H new ATOM 79 N ASP A 6 110.090 11.035 -5.346 1.00 6.84 N ATOM 80 CA ASP A 6 109.124 11.268 -4.312 1.00 7.28 C ATOM 81 C ASP A 6 109.238 10.258 -3.185 1.00 6.96 C ATOM 82 O ASP A 6 108.952 10.571 -2.032 1.00 6.85 O ATOM 83 CB ASP A 6 107.725 11.236 -4.915 1.00 8.56 C ATOM 84 CG ASP A 6 107.290 12.589 -5.446 1.00 9.13 C ATOM 85 OD1 ASP A 6 107.567 12.880 -6.628 1.00 9.50 O ATOM 86 OD2 ASP A 6 106.676 13.360 -4.677 1.00 9.36 O ATOM 0 H ASP A 6 109.737 10.510 -6.147 1.00 6.84 H new ATOM 0 HA ASP A 6 109.320 12.249 -3.880 1.00 7.28 H new ATOM 0 HB2 ASP A 6 107.698 10.506 -5.724 1.00 8.56 H new ATOM 0 HB3 ASP A 6 107.015 10.900 -4.159 1.00 8.56 H new ATOM 91 N VAL A 7 109.662 9.048 -3.512 1.00 7.01 N ATOM 92 CA VAL A 7 109.811 8.019 -2.506 1.00 6.80 C ATOM 93 C VAL A 7 111.276 7.723 -2.238 1.00 5.64 C ATOM 94 O VAL A 7 111.870 6.820 -2.825 1.00 5.60 O ATOM 95 CB VAL A 7 109.035 6.744 -2.866 1.00 7.76 C ATOM 96 CG1 VAL A 7 107.551 7.068 -2.893 1.00 8.97 C ATOM 97 CG2 VAL A 7 109.482 6.178 -4.203 1.00 7.99 C ATOM 0 H VAL A 7 109.906 8.759 -4.459 1.00 7.01 H new ATOM 0 HA VAL A 7 109.375 8.403 -1.584 1.00 6.80 H new ATOM 0 HB VAL A 7 109.236 5.982 -2.113 1.00 7.76 H new ATOM 0 HG11 VAL A 7 106.987 6.171 -3.148 1.00 8.97 H new ATOM 0 HG12 VAL A 7 107.239 7.426 -1.912 1.00 8.97 H new ATOM 0 HG13 VAL A 7 107.361 7.840 -3.639 1.00 8.97 H new ATOM 0 HG21 VAL A 7 108.912 5.276 -4.425 1.00 7.99 H new ATOM 0 HG22 VAL A 7 109.312 6.917 -4.986 1.00 7.99 H new ATOM 0 HG23 VAL A 7 110.543 5.934 -4.158 1.00 7.99 H new ATOM 107 N ARG A 8 111.846 8.536 -1.365 1.00 4.95 N ATOM 108 CA ARG A 8 113.229 8.464 -0.997 1.00 3.98 C ATOM 109 C ARG A 8 113.482 7.445 0.102 1.00 3.74 C ATOM 110 O ARG A 8 112.661 6.563 0.351 1.00 4.35 O ATOM 111 CB ARG A 8 113.635 9.860 -0.561 1.00 3.98 C ATOM 112 CG ARG A 8 113.254 10.917 -1.563 1.00 4.39 C ATOM 113 CD ARG A 8 112.489 11.998 -0.869 1.00 5.13 C ATOM 114 NE ARG A 8 112.126 13.100 -1.758 1.00 5.66 N ATOM 115 CZ ARG A 8 111.504 14.205 -1.353 1.00 6.51 C ATOM 116 NH1 ARG A 8 111.156 14.358 -0.082 1.00 6.97 N ATOM 117 NH2 ARG A 8 111.224 15.164 -2.224 1.00 7.07 N ATOM 0 H ARG A 8 111.337 9.279 -0.887 1.00 4.95 H new ATOM 0 HA ARG A 8 113.826 8.127 -1.844 1.00 3.98 H new ATOM 0 HB2 ARG A 8 113.166 10.088 0.396 1.00 3.98 H new ATOM 0 HB3 ARG A 8 114.713 9.887 -0.403 1.00 3.98 H new ATOM 0 HG2 ARG A 8 114.147 11.330 -2.031 1.00 4.39 H new ATOM 0 HG3 ARG A 8 112.650 10.480 -2.358 1.00 4.39 H new ATOM 0 HD2 ARG A 8 111.583 11.574 -0.436 1.00 5.13 H new ATOM 0 HD3 ARG A 8 113.086 12.386 -0.043 1.00 5.13 H new ATOM 0 HE ARG A 8 112.363 13.017 -2.747 1.00 5.66 H new ATOM 0 HH11 ARG A 8 111.365 13.625 0.596 1.00 6.97 H new ATOM 0 HH12 ARG A 8 110.680 15.209 0.218 1.00 6.97 H new ATOM 0 HH21 ARG A 8 111.485 15.055 -3.204 1.00 7.07 H new ATOM 0 HH22 ARG A 8 110.747 16.011 -1.914 1.00 7.07 H new ATOM 131 N THR A 9 114.630 7.578 0.756 1.00 3.19 N ATOM 132 CA THR A 9 115.007 6.680 1.832 1.00 3.17 C ATOM 133 C THR A 9 114.782 5.231 1.423 1.00 2.49 C ATOM 134 O THR A 9 113.770 4.623 1.771 1.00 3.08 O ATOM 135 CB THR A 9 114.212 7.018 3.070 1.00 4.27 C ATOM 136 OG1 THR A 9 114.339 8.393 3.400 1.00 4.99 O ATOM 137 CG2 THR A 9 114.610 6.212 4.286 1.00 5.02 C ATOM 0 H THR A 9 115.317 8.305 0.555 1.00 3.19 H new ATOM 0 HA THR A 9 116.068 6.804 2.048 1.00 3.17 H new ATOM 0 HB THR A 9 113.181 6.770 2.816 1.00 4.27 H new ATOM 0 HG1 THR A 9 113.813 8.586 4.204 1.00 4.99 H new ATOM 0 HG21 THR A 9 113.996 6.509 5.136 1.00 5.02 H new ATOM 0 HG22 THR A 9 114.461 5.151 4.084 1.00 5.02 H new ATOM 0 HG23 THR A 9 115.660 6.394 4.515 1.00 5.02 H new ATOM 145 N CYS A 10 115.723 4.699 0.655 1.00 1.83 N ATOM 146 CA CYS A 10 115.631 3.334 0.160 1.00 2.03 C ATOM 147 C CYS A 10 115.430 2.336 1.291 1.00 1.81 C ATOM 148 O CYS A 10 115.377 2.700 2.466 1.00 2.19 O ATOM 149 CB CYS A 10 116.884 2.984 -0.647 1.00 2.71 C ATOM 150 SG CYS A 10 116.579 2.414 -2.359 1.00 3.66 S ATOM 0 H CYS A 10 116.563 5.196 0.360 1.00 1.83 H new ATOM 0 HA CYS A 10 114.757 3.271 -0.489 1.00 2.03 H new ATOM 0 HB2 CYS A 10 117.529 3.862 -0.684 1.00 2.71 H new ATOM 0 HB3 CYS A 10 117.433 2.207 -0.115 1.00 2.71 H new ATOM 155 N LEU A 11 115.302 1.075 0.910 1.00 1.63 N ATOM 156 CA LEU A 11 115.082 0.000 1.862 1.00 1.76 C ATOM 157 C LEU A 11 116.314 -0.244 2.725 1.00 1.54 C ATOM 158 O LEU A 11 117.358 -0.683 2.234 1.00 1.40 O ATOM 159 CB LEU A 11 114.706 -1.274 1.110 1.00 2.21 C ATOM 160 CG LEU A 11 113.290 -1.284 0.525 1.00 2.75 C ATOM 161 CD1 LEU A 11 112.919 0.083 -0.030 1.00 2.78 C ATOM 162 CD2 LEU A 11 113.172 -2.342 -0.558 1.00 3.36 C ATOM 0 H LEU A 11 115.347 0.770 -0.062 1.00 1.63 H new ATOM 0 HA LEU A 11 114.268 0.291 2.526 1.00 1.76 H new ATOM 0 HB2 LEU A 11 115.419 -1.424 0.300 1.00 2.21 H new ATOM 0 HB3 LEU A 11 114.810 -2.122 1.787 1.00 2.21 H new ATOM 0 HG LEU A 11 112.594 -1.525 1.329 1.00 2.75 H new ATOM 0 HD11 LEU A 11 111.909 0.048 -0.439 1.00 2.78 H new ATOM 0 HD12 LEU A 11 112.961 0.824 0.769 1.00 2.78 H new ATOM 0 HD13 LEU A 11 113.620 0.358 -0.818 1.00 2.78 H new ATOM 0 HD21 LEU A 11 112.160 -2.336 -0.963 1.00 3.36 H new ATOM 0 HD22 LEU A 11 113.884 -2.127 -1.355 1.00 3.36 H new ATOM 0 HD23 LEU A 11 113.387 -3.323 -0.134 1.00 3.36 H new ATOM 174 N PRO A 12 116.218 0.043 4.034 1.00 1.56 N ATOM 175 CA PRO A 12 117.334 -0.163 4.944 1.00 1.42 C ATOM 176 C PRO A 12 117.862 -1.589 4.884 1.00 1.27 C ATOM 177 O PRO A 12 117.417 -2.399 4.068 1.00 1.24 O ATOM 178 CB PRO A 12 116.751 0.116 6.327 1.00 1.54 C ATOM 179 CG PRO A 12 115.541 0.946 6.093 1.00 1.74 C ATOM 180 CD PRO A 12 115.030 0.585 4.722 1.00 1.77 C ATOM 0 HA PRO A 12 118.177 0.481 4.691 1.00 1.42 H new ATOM 0 HB2 PRO A 12 116.496 -0.812 6.839 1.00 1.54 H new ATOM 0 HB3 PRO A 12 117.470 0.640 6.956 1.00 1.54 H new ATOM 0 HG2 PRO A 12 114.784 0.750 6.853 1.00 1.74 H new ATOM 0 HG3 PRO A 12 115.782 2.007 6.149 1.00 1.74 H new ATOM 0 HD2 PRO A 12 114.228 -0.151 4.775 1.00 1.77 H new ATOM 0 HD3 PRO A 12 114.629 1.456 4.202 1.00 1.77 H new ATOM 188 N CYS A 13 118.798 -1.892 5.770 1.00 1.20 N ATOM 189 CA CYS A 13 119.391 -3.202 5.834 1.00 1.09 C ATOM 190 C CYS A 13 119.954 -3.464 7.223 1.00 1.10 C ATOM 191 O CYS A 13 119.895 -2.599 8.096 1.00 1.21 O ATOM 192 CB CYS A 13 120.484 -3.315 4.789 1.00 0.99 C ATOM 193 SG CYS A 13 120.591 -4.928 3.968 1.00 0.98 S ATOM 0 H CYS A 13 119.161 -1.233 6.459 1.00 1.20 H new ATOM 0 HA CYS A 13 118.625 -3.951 5.632 1.00 1.09 H new ATOM 0 HB2 CYS A 13 120.323 -2.548 4.031 1.00 0.99 H new ATOM 0 HB3 CYS A 13 121.442 -3.100 5.262 1.00 0.99 H new ATOM 198 N GLY A 14 120.516 -4.648 7.426 1.00 1.04 N ATOM 199 CA GLY A 14 121.088 -4.964 8.715 1.00 1.10 C ATOM 200 C GLY A 14 120.077 -4.941 9.844 1.00 1.25 C ATOM 201 O GLY A 14 118.973 -5.470 9.719 1.00 1.28 O ATOM 0 H GLY A 14 120.585 -5.388 6.727 1.00 1.04 H new ATOM 0 HA2 GLY A 14 121.547 -5.952 8.668 1.00 1.10 H new ATOM 0 HA3 GLY A 14 121.884 -4.253 8.935 1.00 1.10 H new ATOM 205 N PRO A 15 120.464 -4.350 10.976 1.00 1.37 N ATOM 206 CA PRO A 15 119.640 -4.261 12.176 1.00 1.53 C ATOM 207 C PRO A 15 118.761 -3.014 12.210 1.00 1.62 C ATOM 208 O PRO A 15 119.254 -1.901 12.383 1.00 1.71 O ATOM 209 CB PRO A 15 120.715 -4.194 13.248 1.00 1.64 C ATOM 210 CG PRO A 15 121.757 -3.337 12.634 1.00 1.56 C ATOM 211 CD PRO A 15 121.786 -3.743 11.186 1.00 1.37 C ATOM 0 HA PRO A 15 118.927 -5.080 12.273 1.00 1.53 H new ATOM 0 HB2 PRO A 15 120.334 -3.763 14.174 1.00 1.64 H new ATOM 0 HB3 PRO A 15 121.101 -5.184 13.493 1.00 1.64 H new ATOM 0 HG2 PRO A 15 121.515 -2.280 12.743 1.00 1.56 H new ATOM 0 HG3 PRO A 15 122.726 -3.492 13.108 1.00 1.56 H new ATOM 0 HD2 PRO A 15 121.943 -2.886 10.531 1.00 1.37 H new ATOM 0 HD3 PRO A 15 122.590 -4.451 10.983 1.00 1.37 H new ATOM 219 N GLY A 16 117.458 -3.211 12.041 1.00 1.63 N ATOM 220 CA GLY A 16 116.532 -2.094 12.056 1.00 1.76 C ATOM 221 C GLY A 16 116.507 -1.349 10.738 1.00 1.68 C ATOM 222 O GLY A 16 115.538 -1.432 9.986 1.00 1.70 O ATOM 0 H GLY A 16 117.027 -4.124 11.894 1.00 1.63 H new ATOM 0 HA2 GLY A 16 115.530 -2.459 12.283 1.00 1.76 H new ATOM 0 HA3 GLY A 16 116.810 -1.406 12.854 1.00 1.76 H new ATOM 226 N GLY A 17 117.591 -0.641 10.448 1.00 1.63 N ATOM 227 CA GLY A 17 117.697 0.094 9.214 1.00 1.58 C ATOM 228 C GLY A 17 118.978 0.873 9.127 1.00 1.54 C ATOM 229 O GLY A 17 119.028 1.966 8.571 1.00 1.59 O ATOM 0 H GLY A 17 118.405 -0.566 11.058 1.00 1.63 H new ATOM 0 HA2 GLY A 17 117.637 -0.598 8.374 1.00 1.58 H new ATOM 0 HA3 GLY A 17 116.852 0.777 9.126 1.00 1.58 H new ATOM 233 N LYS A 18 120.014 0.296 9.694 1.00 1.48 N ATOM 234 CA LYS A 18 121.317 0.901 9.714 1.00 1.46 C ATOM 235 C LYS A 18 121.923 0.896 8.324 1.00 1.31 C ATOM 236 O LYS A 18 122.611 1.832 7.919 1.00 1.33 O ATOM 237 CB LYS A 18 122.201 0.120 10.672 1.00 1.48 C ATOM 238 CG LYS A 18 122.328 0.727 12.048 1.00 1.66 C ATOM 239 CD LYS A 18 121.047 1.406 12.458 1.00 1.79 C ATOM 240 CE LYS A 18 121.124 1.959 13.876 1.00 1.99 C ATOM 241 NZ LYS A 18 121.520 3.396 13.900 1.00 2.07 N ATOM 0 H LYS A 18 119.970 -0.612 10.156 1.00 1.48 H new ATOM 0 HA LYS A 18 121.235 1.936 10.045 1.00 1.46 H new ATOM 0 HB2 LYS A 18 121.804 -0.890 10.770 1.00 1.48 H new ATOM 0 HB3 LYS A 18 123.196 0.030 10.236 1.00 1.48 H new ATOM 0 HG2 LYS A 18 122.580 -0.050 12.770 1.00 1.66 H new ATOM 0 HG3 LYS A 18 123.145 1.448 12.057 1.00 1.66 H new ATOM 0 HD2 LYS A 18 120.828 2.217 11.764 1.00 1.79 H new ATOM 0 HD3 LYS A 18 120.222 0.697 12.390 1.00 1.79 H new ATOM 0 HE2 LYS A 18 120.156 1.843 14.362 1.00 1.99 H new ATOM 0 HE3 LYS A 18 121.842 1.376 14.453 1.00 1.99 H new ATOM 0 HZ1 LYS A 18 122.082 3.587 14.754 1.00 2.07 H new ATOM 0 HZ2 LYS A 18 122.088 3.614 13.056 1.00 2.07 H new ATOM 0 HZ3 LYS A 18 120.667 3.991 13.907 1.00 2.07 H new ATOM 255 N GLY A 19 121.646 -0.174 7.609 1.00 1.20 N ATOM 256 CA GLY A 19 122.133 -0.337 6.265 1.00 1.09 C ATOM 257 C GLY A 19 121.042 -0.135 5.230 1.00 1.12 C ATOM 258 O GLY A 19 119.937 0.280 5.561 1.00 1.24 O ATOM 0 H GLY A 19 121.078 -0.951 7.947 1.00 1.20 H new ATOM 0 HA2 GLY A 19 122.939 0.374 6.084 1.00 1.09 H new ATOM 0 HA3 GLY A 19 122.557 -1.335 6.153 1.00 1.09 H new ATOM 262 N ARG A 20 121.356 -0.426 3.977 1.00 1.07 N ATOM 263 CA ARG A 20 120.414 -0.276 2.892 1.00 1.15 C ATOM 264 C ARG A 20 120.923 -1.009 1.661 1.00 1.11 C ATOM 265 O ARG A 20 122.003 -1.596 1.679 1.00 1.05 O ATOM 266 CB ARG A 20 120.219 1.200 2.587 1.00 1.31 C ATOM 267 CG ARG A 20 121.478 1.869 2.082 1.00 1.34 C ATOM 268 CD ARG A 20 121.177 2.902 1.015 1.00 1.55 C ATOM 269 NE ARG A 20 121.663 4.232 1.382 1.00 1.80 N ATOM 270 CZ ARG A 20 120.903 5.189 1.917 1.00 2.40 C ATOM 271 NH1 ARG A 20 119.618 4.972 2.168 1.00 3.18 N ATOM 272 NH2 ARG A 20 121.433 6.370 2.204 1.00 2.62 N ATOM 0 H ARG A 20 122.271 -0.772 3.690 1.00 1.07 H new ATOM 0 HA ARG A 20 119.455 -0.706 3.182 1.00 1.15 H new ATOM 0 HB2 ARG A 20 119.431 1.311 1.842 1.00 1.31 H new ATOM 0 HB3 ARG A 20 119.879 1.710 3.488 1.00 1.31 H new ATOM 0 HG2 ARG A 20 121.995 2.346 2.914 1.00 1.34 H new ATOM 0 HG3 ARG A 20 122.153 1.115 1.678 1.00 1.34 H new ATOM 0 HD2 ARG A 20 121.636 2.596 0.075 1.00 1.55 H new ATOM 0 HD3 ARG A 20 120.101 2.944 0.845 1.00 1.55 H new ATOM 0 HE ARG A 20 122.648 4.441 1.218 1.00 1.80 H new ATOM 0 HH11 ARG A 20 119.202 4.066 1.952 1.00 3.18 H new ATOM 0 HH12 ARG A 20 119.046 5.711 2.577 1.00 3.18 H new ATOM 0 HH21 ARG A 20 122.420 6.545 2.016 1.00 2.62 H new ATOM 0 HH22 ARG A 20 120.854 7.103 2.613 1.00 2.62 H new ATOM 286 N CYS A 21 120.165 -0.935 0.586 1.00 1.22 N ATOM 287 CA CYS A 21 120.547 -1.555 -0.658 1.00 1.27 C ATOM 288 C CYS A 21 121.591 -0.706 -1.368 1.00 1.37 C ATOM 289 O CYS A 21 121.743 0.477 -1.068 1.00 1.45 O ATOM 290 CB CYS A 21 119.321 -1.680 -1.528 1.00 1.42 C ATOM 291 SG CYS A 21 118.079 -2.852 -0.902 1.00 1.59 S ATOM 0 H CYS A 21 119.271 -0.445 0.554 1.00 1.22 H new ATOM 0 HA CYS A 21 120.973 -2.539 -0.462 1.00 1.27 H new ATOM 0 HB2 CYS A 21 118.859 -0.698 -1.629 1.00 1.42 H new ATOM 0 HB3 CYS A 21 119.628 -1.992 -2.526 1.00 1.42 H new ATOM 296 N PHE A 22 122.318 -1.302 -2.302 1.00 1.41 N ATOM 297 CA PHE A 22 123.347 -0.548 -3.021 1.00 1.52 C ATOM 298 C PHE A 22 123.404 -0.909 -4.514 1.00 1.72 C ATOM 299 O PHE A 22 123.698 -0.056 -5.352 1.00 2.10 O ATOM 300 CB PHE A 22 124.699 -0.809 -2.373 1.00 1.40 C ATOM 301 CG PHE A 22 124.925 0.140 -1.245 1.00 1.31 C ATOM 302 CD1 PHE A 22 124.287 -0.053 -0.034 1.00 1.82 C ATOM 303 CD2 PHE A 22 125.742 1.241 -1.408 1.00 1.67 C ATOM 304 CE1 PHE A 22 124.464 0.840 1.001 1.00 1.80 C ATOM 305 CE2 PHE A 22 125.927 2.137 -0.378 1.00 1.67 C ATOM 306 CZ PHE A 22 125.286 1.937 0.829 1.00 1.28 C ATOM 0 H PHE A 22 122.223 -2.279 -2.578 1.00 1.41 H new ATOM 0 HA PHE A 22 123.091 0.510 -2.958 1.00 1.52 H new ATOM 0 HB2 PHE A 22 124.743 -1.835 -2.008 1.00 1.40 H new ATOM 0 HB3 PHE A 22 125.492 -0.700 -3.113 1.00 1.40 H new ATOM 0 HD1 PHE A 22 123.645 -0.910 0.102 1.00 1.82 H new ATOM 0 HD2 PHE A 22 126.241 1.401 -2.352 1.00 1.67 H new ATOM 0 HE1 PHE A 22 123.961 0.683 1.944 1.00 1.80 H new ATOM 0 HE2 PHE A 22 126.571 2.993 -0.514 1.00 1.67 H new ATOM 0 HZ PHE A 22 125.427 2.638 1.638 1.00 1.28 H new ATOM 316 N GLY A 23 123.136 -2.176 -4.846 1.00 1.74 N ATOM 317 CA GLY A 23 123.187 -2.601 -6.236 1.00 1.92 C ATOM 318 C GLY A 23 122.582 -3.979 -6.477 1.00 2.00 C ATOM 319 O GLY A 23 121.360 -4.124 -6.501 1.00 2.13 O ATOM 0 H GLY A 23 122.887 -2.908 -4.181 1.00 1.74 H new ATOM 0 HA2 GLY A 23 122.661 -1.870 -6.850 1.00 1.92 H new ATOM 0 HA3 GLY A 23 124.225 -2.607 -6.567 1.00 1.92 H new ATOM 323 N PRO A 24 123.420 -5.012 -6.707 1.00 1.99 N ATOM 324 CA PRO A 24 122.961 -6.370 -6.997 1.00 2.12 C ATOM 325 C PRO A 24 123.005 -7.302 -5.783 1.00 2.00 C ATOM 326 O PRO A 24 124.084 -7.710 -5.350 1.00 2.14 O ATOM 327 CB PRO A 24 123.989 -6.795 -8.040 1.00 2.25 C ATOM 328 CG PRO A 24 125.268 -6.144 -7.603 1.00 2.08 C ATOM 329 CD PRO A 24 124.894 -4.939 -6.761 1.00 1.90 C ATOM 0 HA PRO A 24 121.918 -6.412 -7.312 1.00 2.12 H new ATOM 0 HB2 PRO A 24 124.090 -7.880 -8.077 1.00 2.25 H new ATOM 0 HB3 PRO A 24 123.699 -6.467 -9.038 1.00 2.25 H new ATOM 0 HG2 PRO A 24 125.877 -6.841 -7.028 1.00 2.08 H new ATOM 0 HG3 PRO A 24 125.860 -5.841 -8.467 1.00 2.08 H new ATOM 0 HD2 PRO A 24 125.337 -4.989 -5.766 1.00 1.90 H new ATOM 0 HD3 PRO A 24 125.235 -4.009 -7.215 1.00 1.90 H new ATOM 337 N SER A 25 121.831 -7.641 -5.232 1.00 1.92 N ATOM 338 CA SER A 25 121.764 -8.527 -4.062 1.00 1.80 C ATOM 339 C SER A 25 122.755 -8.066 -3.015 1.00 1.60 C ATOM 340 O SER A 25 123.358 -8.877 -2.308 1.00 1.56 O ATOM 341 CB SER A 25 122.093 -9.969 -4.453 1.00 1.93 C ATOM 342 OG SER A 25 121.231 -10.885 -3.797 1.00 1.94 O ATOM 0 H SER A 25 120.925 -7.319 -5.573 1.00 1.92 H new ATOM 0 HA SER A 25 120.750 -8.488 -3.663 1.00 1.80 H new ATOM 0 HB2 SER A 25 122.000 -10.087 -5.533 1.00 1.93 H new ATOM 0 HB3 SER A 25 123.129 -10.192 -4.196 1.00 1.93 H new ATOM 0 HG SER A 25 121.461 -11.799 -4.065 1.00 1.94 H new ATOM 348 N ILE A 26 122.971 -6.763 -2.961 1.00 1.51 N ATOM 349 CA ILE A 26 123.947 -6.217 -2.049 1.00 1.34 C ATOM 350 C ILE A 26 123.372 -5.210 -1.052 1.00 1.19 C ATOM 351 O ILE A 26 122.291 -4.632 -1.245 1.00 1.25 O ATOM 352 CB ILE A 26 125.085 -5.571 -2.837 1.00 1.38 C ATOM 353 CG1 ILE A 26 126.386 -5.747 -2.104 1.00 1.28 C ATOM 354 CG2 ILE A 26 124.814 -4.097 -3.053 1.00 1.36 C ATOM 355 CD1 ILE A 26 127.571 -5.708 -3.049 1.00 1.34 C ATOM 0 H ILE A 26 122.486 -6.073 -3.535 1.00 1.51 H new ATOM 0 HA ILE A 26 124.314 -7.056 -1.457 1.00 1.34 H new ATOM 0 HB ILE A 26 125.151 -6.060 -3.809 1.00 1.38 H new ATOM 0 HG12 ILE A 26 126.491 -4.962 -1.356 1.00 1.28 H new ATOM 0 HG13 ILE A 26 126.377 -6.697 -1.570 1.00 1.28 H new ATOM 0 HG21 ILE A 26 125.636 -3.655 -3.616 1.00 1.36 H new ATOM 0 HG22 ILE A 26 123.885 -3.976 -3.611 1.00 1.36 H new ATOM 0 HG23 ILE A 26 124.725 -3.598 -2.088 1.00 1.36 H new ATOM 0 HD11 ILE A 26 128.493 -5.839 -2.482 1.00 1.34 H new ATOM 0 HD12 ILE A 26 127.479 -6.510 -3.782 1.00 1.34 H new ATOM 0 HD13 ILE A 26 127.594 -4.747 -3.564 1.00 1.34 H new ATOM 367 N CYS A 27 124.139 -5.020 0.017 1.00 1.04 N ATOM 368 CA CYS A 27 123.798 -4.131 1.101 1.00 0.94 C ATOM 369 C CYS A 27 125.076 -3.630 1.778 1.00 0.86 C ATOM 370 O CYS A 27 126.051 -4.370 1.876 1.00 0.90 O ATOM 371 CB CYS A 27 122.949 -4.908 2.084 1.00 0.97 C ATOM 372 SG CYS A 27 121.195 -4.430 2.100 1.00 1.17 S ATOM 0 H CYS A 27 125.032 -5.494 0.148 1.00 1.04 H new ATOM 0 HA CYS A 27 123.247 -3.265 0.734 1.00 0.94 H new ATOM 0 HB2 CYS A 27 123.022 -5.970 1.849 1.00 0.97 H new ATOM 0 HB3 CYS A 27 123.359 -4.774 3.085 1.00 0.97 H new ATOM 377 N CYS A 28 125.077 -2.382 2.227 1.00 0.83 N ATOM 378 CA CYS A 28 126.250 -1.809 2.847 1.00 0.82 C ATOM 379 C CYS A 28 125.881 -0.854 3.981 1.00 0.84 C ATOM 380 O CYS A 28 125.502 0.285 3.711 1.00 0.95 O ATOM 381 CB CYS A 28 127.025 -1.049 1.773 1.00 0.91 C ATOM 382 SG CYS A 28 128.738 -1.600 1.482 1.00 1.25 S ATOM 0 H CYS A 28 124.276 -1.753 2.171 1.00 0.83 H new ATOM 0 HA CYS A 28 126.852 -2.610 3.277 1.00 0.82 H new ATOM 0 HB2 CYS A 28 126.476 -1.125 0.835 1.00 0.91 H new ATOM 0 HB3 CYS A 28 127.045 0.006 2.046 1.00 0.91 H new ATOM 387 N GLY A 29 125.980 -1.277 5.244 1.00 0.83 N ATOM 388 CA GLY A 29 125.668 -0.392 6.289 1.00 0.95 C ATOM 389 C GLY A 29 126.876 0.455 6.620 1.00 1.00 C ATOM 390 O GLY A 29 127.887 -0.081 7.066 1.00 1.02 O ATOM 0 H GLY A 29 126.270 -2.212 5.530 1.00 0.83 H new ATOM 0 HA2 GLY A 29 124.833 0.246 6.000 1.00 0.95 H new ATOM 0 HA3 GLY A 29 125.352 -0.951 7.170 1.00 0.95 H new ATOM 394 N ASP A 30 126.813 1.765 6.384 1.00 1.08 N ATOM 395 CA ASP A 30 127.975 2.611 6.658 1.00 1.16 C ATOM 396 C ASP A 30 128.381 2.380 8.100 1.00 1.31 C ATOM 397 O ASP A 30 129.455 1.840 8.373 1.00 1.34 O ATOM 398 CB ASP A 30 127.640 4.092 6.444 1.00 1.29 C ATOM 399 CG ASP A 30 128.884 4.959 6.431 1.00 1.43 C ATOM 400 OD1 ASP A 30 129.893 4.559 7.049 1.00 1.97 O ATOM 401 OD2 ASP A 30 128.850 6.038 5.801 1.00 1.80 O ATOM 0 H ASP A 30 125.997 2.253 6.015 1.00 1.08 H new ATOM 0 HA ASP A 30 128.787 2.355 5.977 1.00 1.16 H new ATOM 0 HB2 ASP A 30 127.106 4.210 5.501 1.00 1.29 H new ATOM 0 HB3 ASP A 30 126.970 4.430 7.235 1.00 1.29 H new ATOM 406 N GLU A 31 127.485 2.682 9.013 1.00 1.43 N ATOM 407 CA GLU A 31 127.699 2.397 10.410 1.00 1.58 C ATOM 408 C GLU A 31 127.304 0.942 10.663 1.00 1.53 C ATOM 409 O GLU A 31 126.833 0.604 11.751 1.00 1.69 O ATOM 410 CB GLU A 31 126.812 3.294 11.261 1.00 1.76 C ATOM 411 CG GLU A 31 125.331 3.097 10.947 1.00 1.73 C ATOM 412 CD GLU A 31 124.426 3.472 12.105 1.00 1.95 C ATOM 413 OE1 GLU A 31 124.641 2.958 13.221 1.00 2.46 O ATOM 414 OE2 GLU A 31 123.495 4.281 11.892 1.00 2.16 O ATOM 0 H GLU A 31 126.592 3.130 8.807 1.00 1.43 H new ATOM 0 HA GLU A 31 128.744 2.571 10.668 1.00 1.58 H new ATOM 0 HB2 GLU A 31 126.990 3.084 12.316 1.00 1.76 H new ATOM 0 HB3 GLU A 31 127.083 4.336 11.093 1.00 1.76 H new ATOM 0 HG2 GLU A 31 125.066 3.698 10.077 1.00 1.73 H new ATOM 0 HG3 GLU A 31 125.157 2.055 10.680 1.00 1.73 H new ATOM 421 N LEU A 32 127.398 0.104 9.625 1.00 1.31 N ATOM 422 CA LEU A 32 126.947 -1.271 9.729 1.00 1.26 C ATOM 423 C LEU A 32 127.610 -2.197 8.709 1.00 1.14 C ATOM 424 O LEU A 32 127.001 -3.149 8.236 1.00 1.29 O ATOM 425 CB LEU A 32 125.437 -1.236 9.553 1.00 1.26 C ATOM 426 CG LEU A 32 124.654 -2.540 9.694 1.00 1.18 C ATOM 427 CD1 LEU A 32 124.166 -2.951 8.331 1.00 1.01 C ATOM 428 CD2 LEU A 32 125.460 -3.664 10.350 1.00 1.25 C ATOM 0 H LEU A 32 127.780 0.359 8.714 1.00 1.31 H new ATOM 0 HA LEU A 32 127.229 -1.685 10.697 1.00 1.26 H new ATOM 0 HB2 LEU A 32 125.035 -0.529 10.279 1.00 1.26 H new ATOM 0 HB3 LEU A 32 125.228 -0.830 8.563 1.00 1.26 H new ATOM 0 HG LEU A 32 123.813 -2.359 10.364 1.00 1.18 H new ATOM 0 HD11 LEU A 32 123.604 -3.881 8.411 1.00 1.01 H new ATOM 0 HD12 LEU A 32 123.521 -2.171 7.925 1.00 1.01 H new ATOM 0 HD13 LEU A 32 125.019 -3.098 7.668 1.00 1.01 H new ATOM 0 HD21 LEU A 32 124.844 -4.561 10.419 1.00 1.25 H new ATOM 0 HD22 LEU A 32 126.344 -3.876 9.749 1.00 1.25 H new ATOM 0 HD23 LEU A 32 125.766 -3.356 11.350 1.00 1.25 H new ATOM 440 N GLY A 33 128.870 -1.918 8.395 1.00 1.13 N ATOM 441 CA GLY A 33 129.623 -2.744 7.457 1.00 1.04 C ATOM 442 C GLY A 33 128.864 -3.122 6.198 1.00 0.92 C ATOM 443 O GLY A 33 127.849 -2.517 5.878 1.00 0.89 O ATOM 0 H GLY A 33 129.391 -1.128 8.775 1.00 1.13 H new ATOM 0 HA2 GLY A 33 130.531 -2.212 7.172 1.00 1.04 H new ATOM 0 HA3 GLY A 33 129.934 -3.656 7.966 1.00 1.04 H new ATOM 447 N CYS A 34 129.383 -4.102 5.454 1.00 0.95 N ATOM 448 CA CYS A 34 128.758 -4.502 4.197 1.00 0.94 C ATOM 449 C CYS A 34 128.538 -6.005 4.082 1.00 1.03 C ATOM 450 O CYS A 34 129.369 -6.810 4.500 1.00 1.18 O ATOM 451 CB CYS A 34 129.612 -4.035 3.022 1.00 1.03 C ATOM 452 SG CYS A 34 128.655 -3.621 1.536 1.00 1.11 S ATOM 0 H CYS A 34 130.224 -4.626 5.698 1.00 0.95 H new ATOM 0 HA CYS A 34 127.776 -4.029 4.179 1.00 0.94 H new ATOM 0 HB2 CYS A 34 130.186 -3.160 3.328 1.00 1.03 H new ATOM 0 HB3 CYS A 34 130.330 -4.817 2.774 1.00 1.03 H new ATOM 457 N PHE A 35 127.398 -6.362 3.493 1.00 0.98 N ATOM 458 CA PHE A 35 127.025 -7.760 3.274 1.00 1.09 C ATOM 459 C PHE A 35 126.478 -7.964 1.864 1.00 1.14 C ATOM 460 O PHE A 35 125.466 -7.362 1.506 1.00 1.16 O ATOM 461 CB PHE A 35 125.958 -8.193 4.275 1.00 1.06 C ATOM 462 CG PHE A 35 126.159 -7.651 5.651 1.00 1.04 C ATOM 463 CD1 PHE A 35 126.044 -6.293 5.889 1.00 0.96 C ATOM 464 CD2 PHE A 35 126.470 -8.496 6.702 1.00 1.20 C ATOM 465 CE1 PHE A 35 126.232 -5.782 7.149 1.00 1.02 C ATOM 466 CE2 PHE A 35 126.661 -7.986 7.975 1.00 1.25 C ATOM 467 CZ PHE A 35 126.541 -6.623 8.195 1.00 1.15 C ATOM 0 H PHE A 35 126.707 -5.692 3.154 1.00 0.98 H new ATOM 0 HA PHE A 35 127.924 -8.362 3.406 1.00 1.09 H new ATOM 0 HB2 PHE A 35 124.982 -7.875 3.910 1.00 1.06 H new ATOM 0 HB3 PHE A 35 125.941 -9.282 4.324 1.00 1.06 H new ATOM 0 HD1 PHE A 35 125.803 -5.627 5.074 1.00 0.96 H new ATOM 0 HD2 PHE A 35 126.564 -9.558 6.528 1.00 1.20 H new ATOM 0 HE1 PHE A 35 126.138 -4.720 7.320 1.00 1.02 H new ATOM 0 HE2 PHE A 35 126.903 -8.648 8.793 1.00 1.25 H new ATOM 0 HZ PHE A 35 126.690 -6.221 9.186 1.00 1.15 H new ATOM 477 N VAL A 36 127.094 -8.838 1.077 1.00 1.27 N ATOM 478 CA VAL A 36 126.583 -9.109 -0.261 1.00 1.38 C ATOM 479 C VAL A 36 125.767 -10.387 -0.253 1.00 1.51 C ATOM 480 O VAL A 36 126.307 -11.487 -0.140 1.00 1.68 O ATOM 481 CB VAL A 36 127.689 -9.220 -1.323 1.00 1.50 C ATOM 482 CG1 VAL A 36 127.090 -9.055 -2.720 1.00 1.60 C ATOM 483 CG2 VAL A 36 128.789 -8.196 -1.068 1.00 1.40 C ATOM 0 H VAL A 36 127.931 -9.362 1.334 1.00 1.27 H new ATOM 0 HA VAL A 36 125.961 -8.256 -0.533 1.00 1.38 H new ATOM 0 HB VAL A 36 128.142 -10.210 -1.258 1.00 1.50 H new ATOM 0 HG11 VAL A 36 127.880 -9.135 -3.466 1.00 1.60 H new ATOM 0 HG12 VAL A 36 126.348 -9.835 -2.892 1.00 1.60 H new ATOM 0 HG13 VAL A 36 126.614 -8.078 -2.799 1.00 1.60 H new ATOM 0 HG21 VAL A 36 129.561 -8.293 -1.832 1.00 1.40 H new ATOM 0 HG22 VAL A 36 128.367 -7.192 -1.104 1.00 1.40 H new ATOM 0 HG23 VAL A 36 129.227 -8.370 -0.085 1.00 1.40 H new ATOM 493 N GLY A 37 124.460 -10.230 -0.365 1.00 1.47 N ATOM 494 CA GLY A 37 123.574 -11.387 -0.353 1.00 1.60 C ATOM 495 C GLY A 37 123.736 -12.220 0.912 1.00 1.52 C ATOM 496 O GLY A 37 123.520 -13.431 0.903 1.00 1.65 O ATOM 0 H GLY A 37 123.991 -9.329 -0.464 1.00 1.47 H new ATOM 0 HA2 GLY A 37 122.540 -11.052 -0.436 1.00 1.60 H new ATOM 0 HA3 GLY A 37 123.779 -12.009 -1.225 1.00 1.60 H new ATOM 500 N THR A 38 124.131 -11.560 1.999 1.00 1.41 N ATOM 501 CA THR A 38 124.336 -12.222 3.286 1.00 1.41 C ATOM 502 C THR A 38 123.068 -12.139 4.138 1.00 1.31 C ATOM 503 O THR A 38 122.037 -11.654 3.676 1.00 1.31 O ATOM 504 CB THR A 38 125.507 -11.563 4.025 1.00 1.42 C ATOM 505 OG1 THR A 38 126.441 -11.015 3.109 1.00 1.84 O ATOM 506 CG2 THR A 38 126.269 -12.496 4.939 1.00 1.68 C ATOM 0 H THR A 38 124.317 -10.557 2.013 1.00 1.41 H new ATOM 0 HA THR A 38 124.566 -13.272 3.108 1.00 1.41 H new ATOM 0 HB THR A 38 125.041 -10.791 4.637 1.00 1.42 H new ATOM 0 HG1 THR A 38 127.304 -10.890 3.557 1.00 1.84 H new ATOM 0 HG21 THR A 38 127.080 -11.950 5.422 1.00 1.68 H new ATOM 0 HG22 THR A 38 125.595 -12.892 5.699 1.00 1.68 H new ATOM 0 HG23 THR A 38 126.682 -13.319 4.356 1.00 1.68 H new ATOM 514 N ALA A 39 123.147 -12.595 5.389 1.00 1.35 N ATOM 515 CA ALA A 39 121.996 -12.547 6.286 1.00 1.32 C ATOM 516 C ALA A 39 121.538 -11.108 6.490 1.00 1.20 C ATOM 517 O ALA A 39 120.358 -10.794 6.365 1.00 1.17 O ATOM 518 CB ALA A 39 122.324 -13.190 7.629 1.00 1.50 C ATOM 0 H ALA A 39 123.989 -12.998 5.800 1.00 1.35 H new ATOM 0 HA ALA A 39 121.186 -13.112 5.825 1.00 1.32 H new ATOM 0 HB1 ALA A 39 121.450 -13.141 8.279 1.00 1.50 H new ATOM 0 HB2 ALA A 39 122.604 -14.232 7.475 1.00 1.50 H new ATOM 0 HB3 ALA A 39 123.153 -12.657 8.095 1.00 1.50 H new ATOM 524 N GLU A 40 122.488 -10.232 6.791 1.00 1.18 N ATOM 525 CA GLU A 40 122.199 -8.822 7.007 1.00 1.10 C ATOM 526 C GLU A 40 122.012 -8.079 5.679 1.00 1.00 C ATOM 527 O GLU A 40 121.926 -6.852 5.656 1.00 1.00 O ATOM 528 CB GLU A 40 123.335 -8.186 7.810 1.00 1.16 C ATOM 529 CG GLU A 40 123.017 -7.971 9.287 1.00 1.29 C ATOM 530 CD GLU A 40 123.423 -9.142 10.165 1.00 1.47 C ATOM 531 OE1 GLU A 40 124.595 -9.568 10.086 1.00 1.82 O ATOM 532 OE2 GLU A 40 122.571 -9.627 10.939 1.00 1.97 O ATOM 0 H GLU A 40 123.473 -10.477 6.891 1.00 1.18 H new ATOM 0 HA GLU A 40 121.266 -8.744 7.565 1.00 1.10 H new ATOM 0 HB2 GLU A 40 124.219 -8.818 7.729 1.00 1.16 H new ATOM 0 HB3 GLU A 40 123.588 -7.225 7.361 1.00 1.16 H new ATOM 0 HG2 GLU A 40 123.526 -7.072 9.634 1.00 1.29 H new ATOM 0 HG3 GLU A 40 121.947 -7.795 9.399 1.00 1.29 H new ATOM 539 N ALA A 41 121.979 -8.822 4.574 1.00 1.00 N ATOM 540 CA ALA A 41 121.827 -8.224 3.253 1.00 0.98 C ATOM 541 C ALA A 41 120.471 -8.545 2.632 1.00 0.98 C ATOM 542 O ALA A 41 120.016 -7.853 1.722 1.00 0.97 O ATOM 543 CB ALA A 41 122.928 -8.723 2.346 1.00 1.10 C ATOM 0 H ALA A 41 122.056 -9.839 4.570 1.00 1.00 H new ATOM 0 HA ALA A 41 121.891 -7.142 3.368 1.00 0.98 H new ATOM 0 HB1 ALA A 41 122.816 -8.277 1.358 1.00 1.10 H new ATOM 0 HB2 ALA A 41 123.896 -8.445 2.762 1.00 1.10 H new ATOM 0 HB3 ALA A 41 122.867 -9.808 2.263 1.00 1.10 H new ATOM 549 N LEU A 42 119.840 -9.610 3.114 1.00 1.06 N ATOM 550 CA LEU A 42 118.547 -10.040 2.592 1.00 1.11 C ATOM 551 C LEU A 42 117.486 -8.940 2.638 1.00 1.08 C ATOM 552 O LEU A 42 116.439 -9.066 2.008 1.00 1.18 O ATOM 553 CB LEU A 42 118.050 -11.286 3.340 1.00 1.23 C ATOM 554 CG LEU A 42 118.112 -11.223 4.873 1.00 1.27 C ATOM 555 CD1 LEU A 42 118.226 -9.790 5.364 1.00 1.20 C ATOM 556 CD2 LEU A 42 116.897 -11.915 5.483 1.00 1.45 C ATOM 0 H LEU A 42 120.204 -10.193 3.868 1.00 1.06 H new ATOM 0 HA LEU A 42 118.705 -10.284 1.541 1.00 1.11 H new ATOM 0 HB2 LEU A 42 117.017 -11.474 3.046 1.00 1.23 H new ATOM 0 HB3 LEU A 42 118.637 -12.142 3.008 1.00 1.23 H new ATOM 0 HG LEU A 42 119.009 -11.751 5.197 1.00 1.27 H new ATOM 0 HD11 LEU A 42 118.268 -9.781 6.453 1.00 1.20 H new ATOM 0 HD12 LEU A 42 119.133 -9.339 4.962 1.00 1.20 H new ATOM 0 HD13 LEU A 42 117.359 -9.221 5.029 1.00 1.20 H new ATOM 0 HD21 LEU A 42 116.956 -11.862 6.570 1.00 1.45 H new ATOM 0 HD22 LEU A 42 115.987 -11.419 5.144 1.00 1.45 H new ATOM 0 HD23 LEU A 42 116.878 -12.959 5.171 1.00 1.45 H new ATOM 568 N ARG A 43 117.744 -7.865 3.372 1.00 1.04 N ATOM 569 CA ARG A 43 116.783 -6.777 3.463 1.00 1.15 C ATOM 570 C ARG A 43 116.388 -6.272 2.079 1.00 1.25 C ATOM 571 O ARG A 43 115.324 -5.682 1.902 1.00 1.45 O ATOM 572 CB ARG A 43 117.344 -5.634 4.305 1.00 1.18 C ATOM 573 CG ARG A 43 116.416 -5.225 5.435 1.00 1.38 C ATOM 574 CD ARG A 43 116.160 -6.382 6.390 1.00 1.42 C ATOM 575 NE ARG A 43 116.555 -6.044 7.753 1.00 1.66 N ATOM 576 CZ ARG A 43 116.087 -6.655 8.837 1.00 2.01 C ATOM 577 NH1 ARG A 43 115.199 -7.636 8.726 1.00 2.24 N ATOM 578 NH2 ARG A 43 116.507 -6.279 10.037 1.00 2.37 N ATOM 0 H ARG A 43 118.601 -7.725 3.907 1.00 1.04 H new ATOM 0 HA ARG A 43 115.888 -7.163 3.950 1.00 1.15 H new ATOM 0 HB2 ARG A 43 118.306 -5.934 4.721 1.00 1.18 H new ATOM 0 HB3 ARG A 43 117.529 -4.773 3.663 1.00 1.18 H new ATOM 0 HG2 ARG A 43 116.853 -4.390 5.982 1.00 1.38 H new ATOM 0 HG3 ARG A 43 115.470 -4.876 5.022 1.00 1.38 H new ATOM 0 HD2 ARG A 43 115.102 -6.645 6.371 1.00 1.42 H new ATOM 0 HD3 ARG A 43 116.713 -7.260 6.056 1.00 1.42 H new ATOM 0 HE ARG A 43 117.232 -5.292 7.882 1.00 1.66 H new ATOM 0 HH11 ARG A 43 114.871 -7.926 7.804 1.00 2.24 H new ATOM 0 HH12 ARG A 43 114.845 -8.100 9.562 1.00 2.24 H new ATOM 0 HH21 ARG A 43 117.187 -5.524 10.126 1.00 2.37 H new ATOM 0 HH22 ARG A 43 116.150 -6.745 10.871 1.00 2.37 H new ATOM 592 N CYS A 44 117.242 -6.507 1.095 1.00 1.23 N ATOM 593 CA CYS A 44 116.965 -6.059 -0.256 1.00 1.43 C ATOM 594 C CYS A 44 116.016 -6.989 -0.998 1.00 1.64 C ATOM 595 O CYS A 44 115.544 -6.653 -2.085 1.00 1.90 O ATOM 596 CB CYS A 44 118.266 -5.869 -1.034 1.00 1.46 C ATOM 597 SG CYS A 44 118.255 -4.435 -2.155 1.00 1.76 S ATOM 0 H CYS A 44 118.127 -7.002 1.208 1.00 1.23 H new ATOM 0 HA CYS A 44 116.458 -5.097 -0.177 1.00 1.43 H new ATOM 0 HB2 CYS A 44 119.088 -5.758 -0.326 1.00 1.46 H new ATOM 0 HB3 CYS A 44 118.465 -6.770 -1.615 1.00 1.46 H new ATOM 602 N GLN A 45 115.703 -8.135 -0.411 1.00 1.59 N ATOM 603 CA GLN A 45 114.769 -9.056 -1.033 1.00 1.81 C ATOM 604 C GLN A 45 113.440 -8.347 -1.224 1.00 2.03 C ATOM 605 O GLN A 45 112.650 -8.681 -2.108 1.00 2.30 O ATOM 606 CB GLN A 45 114.568 -10.287 -0.157 1.00 1.76 C ATOM 607 CG GLN A 45 114.958 -11.597 -0.822 1.00 2.10 C ATOM 608 CD GLN A 45 115.036 -12.740 0.171 1.00 2.27 C ATOM 609 OE1 GLN A 45 114.352 -13.753 0.023 1.00 2.78 O ATOM 610 NE2 GLN A 45 115.868 -12.579 1.193 1.00 2.38 N ATOM 0 H GLN A 45 116.078 -8.445 0.485 1.00 1.59 H new ATOM 0 HA GLN A 45 115.168 -9.378 -1.995 1.00 1.81 H new ATOM 0 HB2 GLN A 45 115.152 -10.168 0.756 1.00 1.76 H new ATOM 0 HB3 GLN A 45 113.520 -10.341 0.139 1.00 1.76 H new ATOM 0 HG2 GLN A 45 114.231 -11.840 -1.597 1.00 2.10 H new ATOM 0 HG3 GLN A 45 115.923 -11.479 -1.315 1.00 2.10 H new ATOM 0 HE21 GLN A 45 116.415 -11.722 1.275 1.00 2.38 H new ATOM 0 HE22 GLN A 45 115.960 -13.312 1.896 1.00 2.38 H new ATOM 619 N GLU A 46 113.212 -7.351 -0.376 1.00 1.98 N ATOM 620 CA GLU A 46 111.999 -6.573 -0.424 1.00 2.30 C ATOM 621 C GLU A 46 112.104 -5.485 -1.497 1.00 2.48 C ATOM 622 O GLU A 46 111.104 -4.873 -1.881 1.00 2.83 O ATOM 623 CB GLU A 46 111.760 -5.984 0.964 1.00 2.30 C ATOM 624 CG GLU A 46 112.689 -4.843 1.306 1.00 2.58 C ATOM 625 CD GLU A 46 111.995 -3.719 2.045 1.00 3.12 C ATOM 626 OE1 GLU A 46 110.904 -3.299 1.604 1.00 3.41 O ATOM 627 OE2 GLU A 46 112.543 -3.258 3.068 1.00 3.70 O ATOM 0 H GLU A 46 113.863 -7.068 0.356 1.00 1.98 H new ATOM 0 HA GLU A 46 111.150 -7.200 -0.697 1.00 2.30 H new ATOM 0 HB2 GLU A 46 110.730 -5.634 1.028 1.00 2.30 H new ATOM 0 HB3 GLU A 46 111.876 -6.772 1.708 1.00 2.30 H new ATOM 0 HG2 GLU A 46 113.510 -5.220 1.916 1.00 2.58 H new ATOM 0 HG3 GLU A 46 113.128 -4.451 0.388 1.00 2.58 H new ATOM 634 N GLU A 47 113.324 -5.271 -1.998 1.00 2.30 N ATOM 635 CA GLU A 47 113.555 -4.274 -3.045 1.00 2.51 C ATOM 636 C GLU A 47 113.182 -4.841 -4.413 1.00 2.88 C ATOM 637 O GLU A 47 113.172 -4.122 -5.413 1.00 3.13 O ATOM 638 CB GLU A 47 115.024 -3.835 -3.053 1.00 2.33 C ATOM 639 CG GLU A 47 115.278 -2.539 -3.813 1.00 2.68 C ATOM 640 CD GLU A 47 116.119 -2.739 -5.061 1.00 2.97 C ATOM 641 OE1 GLU A 47 117.308 -3.098 -4.926 1.00 3.38 O ATOM 642 OE2 GLU A 47 115.591 -2.528 -6.174 1.00 3.38 O ATOM 0 H GLU A 47 114.161 -5.771 -1.698 1.00 2.30 H new ATOM 0 HA GLU A 47 112.927 -3.408 -2.835 1.00 2.51 H new ATOM 0 HB2 GLU A 47 115.362 -3.713 -2.024 1.00 2.33 H new ATOM 0 HB3 GLU A 47 115.627 -4.628 -3.495 1.00 2.33 H new ATOM 0 HG2 GLU A 47 114.323 -2.095 -4.093 1.00 2.68 H new ATOM 0 HG3 GLU A 47 115.779 -1.830 -3.154 1.00 2.68 H new ATOM 649 N ASN A 48 112.868 -6.135 -4.447 1.00 2.96 N ATOM 650 CA ASN A 48 112.493 -6.799 -5.677 1.00 3.38 C ATOM 651 C ASN A 48 111.092 -6.382 -6.115 1.00 3.78 C ATOM 652 O ASN A 48 110.722 -6.553 -7.275 1.00 4.17 O ATOM 653 CB ASN A 48 112.542 -8.316 -5.482 1.00 3.54 C ATOM 654 CG ASN A 48 113.442 -9.009 -6.484 1.00 3.90 C ATOM 655 OD1 ASN A 48 113.672 -8.507 -7.584 1.00 4.41 O ATOM 656 ND2 ASN A 48 113.953 -10.175 -6.106 1.00 4.03 N ATOM 0 H ASN A 48 112.868 -6.741 -3.626 1.00 2.96 H new ATOM 0 HA ASN A 48 113.199 -6.507 -6.454 1.00 3.38 H new ATOM 0 HB2 ASN A 48 112.891 -8.537 -4.473 1.00 3.54 H new ATOM 0 HB3 ASN A 48 111.534 -8.721 -5.566 1.00 3.54 H new ATOM 0 HD21 ASN A 48 114.564 -10.693 -6.738 1.00 4.03 H new ATOM 0 HD22 ASN A 48 113.735 -10.553 -5.184 1.00 4.03 H new ATOM 663 N TYR A 49 110.313 -5.834 -5.180 1.00 3.82 N ATOM 664 CA TYR A 49 108.944 -5.412 -5.485 1.00 4.41 C ATOM 665 C TYR A 49 108.881 -3.933 -5.836 1.00 4.76 C ATOM 666 O TYR A 49 108.079 -3.513 -6.668 1.00 5.26 O ATOM 667 CB TYR A 49 108.033 -5.675 -4.278 1.00 4.66 C ATOM 668 CG TYR A 49 107.617 -7.110 -4.089 1.00 4.91 C ATOM 669 CD1 TYR A 49 107.347 -7.898 -5.174 1.00 5.04 C ATOM 670 CD2 TYR A 49 107.494 -7.665 -2.823 1.00 5.32 C ATOM 671 CE1 TYR A 49 106.960 -9.218 -5.030 1.00 5.55 C ATOM 672 CE2 TYR A 49 107.110 -8.982 -2.657 1.00 5.82 C ATOM 673 CZ TYR A 49 106.843 -9.756 -3.766 1.00 5.92 C ATOM 674 OH TYR A 49 106.457 -11.068 -3.609 1.00 6.59 O ATOM 0 H TYR A 49 110.602 -5.673 -4.215 1.00 3.82 H new ATOM 0 HA TYR A 49 108.606 -5.990 -6.346 1.00 4.41 H new ATOM 0 HB2 TYR A 49 108.546 -5.340 -3.376 1.00 4.66 H new ATOM 0 HB3 TYR A 49 107.136 -5.064 -4.380 1.00 4.66 H new ATOM 0 HD1 TYR A 49 107.438 -7.480 -6.166 1.00 5.04 H new ATOM 0 HD2 TYR A 49 107.702 -7.058 -1.954 1.00 5.32 H new ATOM 0 HE1 TYR A 49 106.751 -9.822 -5.900 1.00 5.55 H new ATOM 0 HE2 TYR A 49 107.020 -9.402 -1.666 1.00 5.82 H new ATOM 0 HH TYR A 49 106.425 -11.288 -2.654 1.00 6.59 H new ATOM 684 N LEU A 50 109.724 -3.154 -5.187 1.00 4.83 N ATOM 685 CA LEU A 50 109.770 -1.719 -5.401 1.00 5.32 C ATOM 686 C LEU A 50 111.119 -1.271 -5.970 1.00 5.33 C ATOM 687 O LEU A 50 112.080 -1.066 -5.225 1.00 5.17 O ATOM 688 CB LEU A 50 109.476 -0.989 -4.087 1.00 5.74 C ATOM 689 CG LEU A 50 108.389 0.089 -4.161 1.00 6.45 C ATOM 690 CD1 LEU A 50 107.152 -0.430 -4.881 1.00 6.98 C ATOM 691 CD2 LEU A 50 108.026 0.569 -2.765 1.00 6.91 C ATOM 0 H LEU A 50 110.395 -3.495 -4.499 1.00 4.83 H new ATOM 0 HA LEU A 50 109.007 -1.464 -6.137 1.00 5.32 H new ATOM 0 HB2 LEU A 50 109.182 -1.726 -3.340 1.00 5.74 H new ATOM 0 HB3 LEU A 50 110.398 -0.527 -3.734 1.00 5.74 H new ATOM 0 HG LEU A 50 108.784 0.930 -4.731 1.00 6.45 H new ATOM 0 HD11 LEU A 50 106.397 0.355 -4.919 1.00 6.98 H new ATOM 0 HD12 LEU A 50 107.419 -0.726 -5.895 1.00 6.98 H new ATOM 0 HD13 LEU A 50 106.753 -1.291 -4.345 1.00 6.98 H new ATOM 0 HD21 LEU A 50 107.253 1.334 -2.833 1.00 6.91 H new ATOM 0 HD22 LEU A 50 107.655 -0.270 -2.177 1.00 6.91 H new ATOM 0 HD23 LEU A 50 108.910 0.988 -2.283 1.00 6.91 H new ATOM 703 N PRO A 51 111.213 -1.135 -7.309 1.00 5.85 N ATOM 704 CA PRO A 51 112.449 -0.732 -8.002 1.00 6.17 C ATOM 705 C PRO A 51 112.811 0.724 -7.798 1.00 6.08 C ATOM 706 O PRO A 51 113.963 1.138 -7.944 1.00 6.27 O ATOM 707 CB PRO A 51 112.120 -0.980 -9.480 1.00 7.08 C ATOM 708 CG PRO A 51 110.957 -1.893 -9.428 1.00 7.22 C ATOM 709 CD PRO A 51 110.149 -1.395 -8.275 1.00 6.51 C ATOM 0 HA PRO A 51 113.308 -1.287 -7.624 1.00 6.17 H new ATOM 0 HB2 PRO A 51 111.879 -0.052 -9.998 1.00 7.08 H new ATOM 0 HB3 PRO A 51 112.960 -1.431 -10.008 1.00 7.08 H new ATOM 0 HG2 PRO A 51 110.386 -1.863 -10.356 1.00 7.22 H new ATOM 0 HG3 PRO A 51 111.269 -2.927 -9.278 1.00 7.22 H new ATOM 0 HD2 PRO A 51 109.582 -0.497 -8.521 1.00 6.51 H new ATOM 0 HD3 PRO A 51 109.434 -2.136 -7.917 1.00 6.51 H new ATOM 717 N SER A 52 111.791 1.470 -7.482 1.00 6.09 N ATOM 718 CA SER A 52 111.871 2.915 -7.251 1.00 6.20 C ATOM 719 C SER A 52 113.244 3.353 -6.740 1.00 5.73 C ATOM 720 O SER A 52 113.584 3.121 -5.580 1.00 5.49 O ATOM 721 CB SER A 52 110.791 3.341 -6.255 1.00 6.56 C ATOM 722 OG SER A 52 109.546 3.532 -6.905 1.00 7.00 O ATOM 0 H SER A 52 110.849 1.096 -7.371 1.00 6.09 H new ATOM 0 HA SER A 52 111.712 3.404 -8.212 1.00 6.20 H new ATOM 0 HB2 SER A 52 110.687 2.582 -5.479 1.00 6.56 H new ATOM 0 HB3 SER A 52 111.092 4.264 -5.760 1.00 6.56 H new ATOM 0 HG SER A 52 108.872 3.802 -6.247 1.00 7.00 H new ATOM 728 N PRO A 53 114.048 4.018 -7.596 1.00 5.84 N ATOM 729 CA PRO A 53 115.368 4.505 -7.200 1.00 5.59 C ATOM 730 C PRO A 53 115.237 5.435 -6.007 1.00 4.86 C ATOM 731 O PRO A 53 114.765 6.562 -6.133 1.00 5.07 O ATOM 732 CB PRO A 53 115.880 5.256 -8.438 1.00 6.27 C ATOM 733 CG PRO A 53 114.674 5.495 -9.282 1.00 6.71 C ATOM 734 CD PRO A 53 113.727 4.367 -8.987 1.00 6.50 C ATOM 0 HA PRO A 53 116.048 3.708 -6.898 1.00 5.59 H new ATOM 0 HB2 PRO A 53 116.357 6.196 -8.158 1.00 6.27 H new ATOM 0 HB3 PRO A 53 116.625 4.668 -8.974 1.00 6.27 H new ATOM 0 HG2 PRO A 53 114.219 6.457 -9.047 1.00 6.71 H new ATOM 0 HG3 PRO A 53 114.937 5.516 -10.340 1.00 6.71 H new ATOM 0 HD2 PRO A 53 112.687 4.675 -9.096 1.00 6.50 H new ATOM 0 HD3 PRO A 53 113.882 3.524 -9.660 1.00 6.50 H new ATOM 742 N CYS A 54 115.612 4.933 -4.841 1.00 4.33 N ATOM 743 CA CYS A 54 115.490 5.701 -3.605 1.00 3.84 C ATOM 744 C CYS A 54 116.844 6.158 -3.081 1.00 3.39 C ATOM 745 O CYS A 54 117.852 5.472 -3.253 1.00 3.93 O ATOM 746 CB CYS A 54 114.772 4.873 -2.525 1.00 4.12 C ATOM 747 SG CYS A 54 114.713 3.072 -2.835 1.00 4.10 S ATOM 0 H CYS A 54 116.003 3.999 -4.721 1.00 4.33 H new ATOM 0 HA CYS A 54 114.901 6.589 -3.837 1.00 3.84 H new ATOM 0 HB2 CYS A 54 115.267 5.045 -1.569 1.00 4.12 H new ATOM 0 HB3 CYS A 54 113.751 5.242 -2.426 1.00 4.12 H new ATOM 752 N GLN A 55 116.840 7.331 -2.439 1.00 2.81 N ATOM 753 CA GLN A 55 118.043 7.923 -1.851 1.00 2.78 C ATOM 754 C GLN A 55 119.082 6.862 -1.512 1.00 2.68 C ATOM 755 O GLN A 55 118.754 5.803 -0.979 1.00 2.89 O ATOM 756 CB GLN A 55 117.667 8.689 -0.580 1.00 2.94 C ATOM 757 CG GLN A 55 118.848 9.338 0.126 1.00 3.60 C ATOM 758 CD GLN A 55 118.831 9.088 1.622 1.00 4.35 C ATOM 759 OE1 GLN A 55 117.799 8.725 2.187 1.00 4.80 O ATOM 760 NE2 GLN A 55 119.973 9.276 2.272 1.00 4.93 N ATOM 0 H GLN A 55 116.000 7.896 -2.313 1.00 2.81 H new ATOM 0 HA GLN A 55 118.478 8.601 -2.586 1.00 2.78 H new ATOM 0 HB2 GLN A 55 116.941 9.461 -0.835 1.00 2.94 H new ATOM 0 HB3 GLN A 55 117.175 8.005 0.112 1.00 2.94 H new ATOM 0 HG2 GLN A 55 119.777 8.952 -0.294 1.00 3.60 H new ATOM 0 HG3 GLN A 55 118.835 10.412 -0.061 1.00 3.60 H new ATOM 0 HE21 GLN A 55 120.805 9.577 1.765 1.00 4.93 H new ATOM 0 HE22 GLN A 55 120.019 9.119 3.279 1.00 4.93 H new ATOM 769 N SER A 56 120.332 7.155 -1.819 1.00 2.94 N ATOM 770 CA SER A 56 121.414 6.227 -1.540 1.00 3.10 C ATOM 771 C SER A 56 122.477 6.906 -0.707 1.00 2.58 C ATOM 772 O SER A 56 122.360 8.092 -0.393 1.00 2.69 O ATOM 773 CB SER A 56 122.011 5.702 -2.841 1.00 3.99 C ATOM 774 OG SER A 56 121.002 5.169 -3.680 1.00 4.68 O ATOM 0 H SER A 56 120.624 8.027 -2.261 1.00 2.94 H new ATOM 0 HA SER A 56 121.016 5.382 -0.978 1.00 3.10 H new ATOM 0 HB2 SER A 56 122.532 6.508 -3.358 1.00 3.99 H new ATOM 0 HB3 SER A 56 122.752 4.933 -2.622 1.00 3.99 H new ATOM 0 HG SER A 56 121.407 4.840 -4.510 1.00 4.68 H new ATOM 780 N GLY A 57 123.519 6.170 -0.351 1.00 2.49 N ATOM 781 CA GLY A 57 124.570 6.772 0.442 1.00 2.63 C ATOM 782 C GLY A 57 125.905 6.509 -0.169 1.00 2.44 C ATOM 783 O GLY A 57 126.856 6.141 0.519 1.00 2.35 O ATOM 0 H GLY A 57 123.655 5.188 -0.590 1.00 2.49 H new ATOM 0 HA2 GLY A 57 124.405 7.847 0.519 1.00 2.63 H new ATOM 0 HA3 GLY A 57 124.543 6.372 1.456 1.00 2.63 H new ATOM 787 N GLN A 58 125.971 6.656 -1.483 1.00 2.58 N ATOM 788 CA GLN A 58 127.186 6.375 -2.181 1.00 2.45 C ATOM 789 C GLN A 58 128.026 7.619 -2.447 1.00 1.91 C ATOM 790 O GLN A 58 128.019 8.156 -3.552 1.00 2.06 O ATOM 791 CB GLN A 58 126.807 5.714 -3.483 1.00 3.00 C ATOM 792 CG GLN A 58 126.529 4.237 -3.310 1.00 3.60 C ATOM 793 CD GLN A 58 127.763 3.374 -3.481 1.00 3.96 C ATOM 794 OE1 GLN A 58 128.443 3.049 -2.510 1.00 4.27 O ATOM 795 NE2 GLN A 58 128.055 2.994 -4.719 1.00 4.27 N ATOM 0 H GLN A 58 125.197 6.966 -2.071 1.00 2.58 H new ATOM 0 HA GLN A 58 127.807 5.727 -1.562 1.00 2.45 H new ATOM 0 HB2 GLN A 58 125.924 6.203 -3.894 1.00 3.00 H new ATOM 0 HB3 GLN A 58 127.612 5.849 -4.206 1.00 3.00 H new ATOM 0 HG2 GLN A 58 126.109 4.067 -2.319 1.00 3.60 H new ATOM 0 HG3 GLN A 58 125.774 3.929 -4.034 1.00 3.60 H new ATOM 0 HE21 GLN A 58 127.462 3.287 -5.496 1.00 4.27 H new ATOM 0 HE22 GLN A 58 128.872 2.409 -4.894 1.00 4.27 H new ATOM 804 N LYS A 59 128.802 8.030 -1.440 1.00 1.57 N ATOM 805 CA LYS A 59 129.699 9.140 -1.568 1.00 1.34 C ATOM 806 C LYS A 59 130.932 8.696 -2.355 1.00 1.21 C ATOM 807 O LYS A 59 131.727 7.899 -1.867 1.00 1.06 O ATOM 808 CB LYS A 59 130.063 9.702 -0.193 1.00 1.53 C ATOM 809 CG LYS A 59 129.906 8.750 0.987 1.00 1.72 C ATOM 810 CD LYS A 59 128.799 9.240 1.917 1.00 2.01 C ATOM 811 CE LYS A 59 128.093 8.097 2.637 1.00 2.41 C ATOM 812 NZ LYS A 59 129.061 7.103 3.176 1.00 3.08 N ATOM 0 H LYS A 59 128.813 7.590 -0.520 1.00 1.57 H new ATOM 0 HA LYS A 59 129.214 9.948 -2.116 1.00 1.34 H new ATOM 0 HB2 LYS A 59 131.099 10.040 -0.225 1.00 1.53 H new ATOM 0 HB3 LYS A 59 129.446 10.581 -0.008 1.00 1.53 H new ATOM 0 HG2 LYS A 59 129.671 7.748 0.627 1.00 1.72 H new ATOM 0 HG3 LYS A 59 130.846 8.680 1.534 1.00 1.72 H new ATOM 0 HD2 LYS A 59 129.223 9.922 2.654 1.00 2.01 H new ATOM 0 HD3 LYS A 59 128.069 9.808 1.340 1.00 2.01 H new ATOM 0 HE2 LYS A 59 127.491 8.498 3.453 1.00 2.41 H new ATOM 0 HE3 LYS A 59 127.408 7.602 1.949 1.00 2.41 H new ATOM 0 HZ1 LYS A 59 128.738 6.775 4.108 1.00 3.08 H new ATOM 0 HZ2 LYS A 59 129.125 6.293 2.527 1.00 3.08 H new ATOM 0 HZ3 LYS A 59 129.997 7.546 3.270 1.00 3.08 H new ATOM 826 N PRO A 60 131.078 9.160 -3.605 1.00 1.33 N ATOM 827 CA PRO A 60 132.180 8.763 -4.481 1.00 1.32 C ATOM 828 C PRO A 60 133.544 8.629 -3.809 1.00 1.22 C ATOM 829 O PRO A 60 133.829 9.261 -2.793 1.00 1.20 O ATOM 830 CB PRO A 60 132.211 9.887 -5.514 1.00 1.55 C ATOM 831 CG PRO A 60 130.799 10.355 -5.618 1.00 1.64 C ATOM 832 CD PRO A 60 130.144 10.076 -4.289 1.00 1.54 C ATOM 0 HA PRO A 60 132.005 7.762 -4.876 1.00 1.32 H new ATOM 0 HB2 PRO A 60 132.872 10.694 -5.199 1.00 1.55 H new ATOM 0 HB3 PRO A 60 132.580 9.529 -6.475 1.00 1.55 H new ATOM 0 HG2 PRO A 60 130.761 11.419 -5.851 1.00 1.64 H new ATOM 0 HG3 PRO A 60 130.278 9.834 -6.422 1.00 1.64 H new ATOM 0 HD2 PRO A 60 129.997 10.993 -3.718 1.00 1.54 H new ATOM 0 HD3 PRO A 60 129.162 9.620 -4.418 1.00 1.54 H new ATOM 840 N CYS A 61 134.394 7.817 -4.447 1.00 1.23 N ATOM 841 CA CYS A 61 135.756 7.583 -4.000 1.00 1.21 C ATOM 842 C CYS A 61 136.588 6.999 -5.133 1.00 1.33 C ATOM 843 O CYS A 61 136.059 6.364 -6.062 1.00 1.38 O ATOM 844 CB CYS A 61 135.828 6.649 -2.789 1.00 1.09 C ATOM 845 SG CYS A 61 134.345 5.628 -2.524 1.00 1.04 S ATOM 0 H CYS A 61 134.147 7.304 -5.293 1.00 1.23 H new ATOM 0 HA CYS A 61 136.156 8.551 -3.697 1.00 1.21 H new ATOM 0 HB2 CYS A 61 136.689 5.991 -2.906 1.00 1.09 H new ATOM 0 HB3 CYS A 61 136.004 7.248 -1.896 1.00 1.09 H new ATOM 850 N GLY A 62 137.894 7.215 -5.039 1.00 1.42 N ATOM 851 CA GLY A 62 138.809 6.730 -6.039 1.00 1.59 C ATOM 852 C GLY A 62 139.027 5.229 -5.985 1.00 1.59 C ATOM 853 O GLY A 62 139.885 4.703 -6.695 1.00 1.76 O ATOM 0 H GLY A 62 138.335 7.726 -4.274 1.00 1.42 H new ATOM 0 HA2 GLY A 62 138.432 6.999 -7.026 1.00 1.59 H new ATOM 0 HA3 GLY A 62 139.768 7.233 -5.916 1.00 1.59 H new ATOM 857 N SER A 63 138.267 4.530 -5.146 1.00 1.43 N ATOM 858 CA SER A 63 138.406 3.097 -5.025 1.00 1.45 C ATOM 859 C SER A 63 137.432 2.369 -5.949 1.00 1.47 C ATOM 860 O SER A 63 136.831 1.365 -5.570 1.00 1.38 O ATOM 861 CB SER A 63 138.198 2.659 -3.573 1.00 1.32 C ATOM 862 OG SER A 63 138.618 1.320 -3.375 1.00 1.40 O ATOM 0 H SER A 63 137.552 4.939 -4.544 1.00 1.43 H new ATOM 0 HA SER A 63 139.419 2.830 -5.327 1.00 1.45 H new ATOM 0 HB2 SER A 63 138.755 3.319 -2.908 1.00 1.32 H new ATOM 0 HB3 SER A 63 137.145 2.755 -3.309 1.00 1.32 H new ATOM 0 HG SER A 63 138.203 0.964 -2.562 1.00 1.40 H new ATOM 868 N GLY A 64 137.296 2.881 -7.167 1.00 1.62 N ATOM 869 CA GLY A 64 136.417 2.277 -8.146 1.00 1.70 C ATOM 870 C GLY A 64 134.954 2.286 -7.759 1.00 1.57 C ATOM 871 O GLY A 64 134.257 1.282 -7.912 1.00 1.62 O ATOM 0 H GLY A 64 137.786 3.713 -7.495 1.00 1.62 H new ATOM 0 HA2 GLY A 64 136.533 2.802 -9.094 1.00 1.70 H new ATOM 0 HA3 GLY A 64 136.731 1.246 -8.312 1.00 1.70 H new ATOM 875 N GLY A 65 134.491 3.413 -7.255 1.00 1.45 N ATOM 876 CA GLY A 65 133.107 3.532 -6.851 1.00 1.36 C ATOM 877 C GLY A 65 132.847 4.617 -5.845 1.00 1.23 C ATOM 878 O GLY A 65 133.543 5.630 -5.804 1.00 1.23 O ATOM 0 H GLY A 65 135.051 4.254 -7.117 1.00 1.45 H new ATOM 0 HA2 GLY A 65 132.498 3.719 -7.735 1.00 1.36 H new ATOM 0 HA3 GLY A 65 132.779 2.580 -6.434 1.00 1.36 H new ATOM 882 N ARG A 66 131.827 4.396 -5.028 1.00 1.16 N ATOM 883 CA ARG A 66 131.452 5.340 -4.009 1.00 1.09 C ATOM 884 C ARG A 66 131.489 4.681 -2.650 1.00 0.95 C ATOM 885 O ARG A 66 131.343 3.468 -2.531 1.00 0.90 O ATOM 886 CB ARG A 66 130.052 5.899 -4.217 1.00 1.21 C ATOM 887 CG ARG A 66 129.586 5.862 -5.658 1.00 1.38 C ATOM 888 CD ARG A 66 130.481 6.699 -6.546 1.00 1.45 C ATOM 889 NE ARG A 66 129.850 6.978 -7.837 1.00 1.65 N ATOM 890 CZ ARG A 66 130.451 6.823 -9.015 1.00 2.13 C ATOM 891 NH1 ARG A 66 131.728 6.466 -9.086 1.00 2.77 N ATOM 892 NH2 ARG A 66 129.772 7.032 -10.134 1.00 2.26 N ATOM 0 H ARG A 66 131.245 3.559 -5.060 1.00 1.16 H new ATOM 0 HA ARG A 66 132.169 6.159 -4.071 1.00 1.09 H new ATOM 0 HB2 ARG A 66 129.350 5.334 -3.604 1.00 1.21 H new ATOM 0 HB3 ARG A 66 130.026 6.930 -3.863 1.00 1.21 H new ATOM 0 HG2 ARG A 66 129.578 4.832 -6.014 1.00 1.38 H new ATOM 0 HG3 ARG A 66 128.562 6.229 -5.721 1.00 1.38 H new ATOM 0 HD2 ARG A 66 130.716 7.638 -6.045 1.00 1.45 H new ATOM 0 HD3 ARG A 66 131.425 6.178 -6.707 1.00 1.45 H new ATOM 0 HE ARG A 66 128.887 7.313 -7.834 1.00 1.65 H new ATOM 0 HH11 ARG A 66 132.261 6.307 -8.231 1.00 2.77 H new ATOM 0 HH12 ARG A 66 132.176 6.351 -9.995 1.00 2.77 H new ATOM 0 HH21 ARG A 66 128.792 7.311 -10.091 1.00 2.26 H new ATOM 0 HH22 ARG A 66 130.230 6.914 -11.038 1.00 2.26 H new ATOM 906 N CYS A 67 131.665 5.486 -1.628 1.00 0.93 N ATOM 907 CA CYS A 67 131.688 4.984 -0.270 1.00 0.88 C ATOM 908 C CYS A 67 130.338 4.383 0.066 1.00 0.94 C ATOM 909 O CYS A 67 129.352 4.609 -0.631 1.00 1.17 O ATOM 910 CB CYS A 67 132.111 6.097 0.694 1.00 0.98 C ATOM 911 SG CYS A 67 132.527 5.546 2.379 1.00 1.03 S ATOM 0 H CYS A 67 131.795 6.494 -1.710 1.00 0.93 H new ATOM 0 HA CYS A 67 132.428 4.190 -0.168 1.00 0.88 H new ATOM 0 HB2 CYS A 67 132.975 6.611 0.273 1.00 0.98 H new ATOM 0 HB3 CYS A 67 131.305 6.828 0.757 1.00 0.98 H new ATOM 916 N ALA A 68 130.321 3.544 1.079 1.00 0.84 N ATOM 917 CA ALA A 68 129.113 2.830 1.449 1.00 0.90 C ATOM 918 C ALA A 68 129.102 2.433 2.940 1.00 0.94 C ATOM 919 O ALA A 68 128.754 3.230 3.812 1.00 1.25 O ATOM 920 CB ALA A 68 129.023 1.594 0.546 1.00 0.87 C ATOM 0 H ALA A 68 131.131 3.338 1.664 1.00 0.84 H new ATOM 0 HA ALA A 68 128.246 3.476 1.311 1.00 0.90 H new ATOM 0 HB1 ALA A 68 128.125 1.028 0.793 1.00 0.87 H new ATOM 0 HB2 ALA A 68 128.979 1.908 -0.497 1.00 0.87 H new ATOM 0 HB3 ALA A 68 129.901 0.967 0.699 1.00 0.87 H new ATOM 926 N ALA A 69 129.451 1.176 3.190 1.00 0.77 N ATOM 927 CA ALA A 69 129.495 0.575 4.523 1.00 0.84 C ATOM 928 C ALA A 69 130.672 1.067 5.353 1.00 0.89 C ATOM 929 O ALA A 69 131.340 2.013 4.950 1.00 0.87 O ATOM 930 CB ALA A 69 129.567 -0.931 4.392 1.00 0.88 C ATOM 0 H ALA A 69 129.719 0.526 2.451 1.00 0.77 H new ATOM 0 HA ALA A 69 128.585 0.875 5.043 1.00 0.84 H new ATOM 0 HB1 ALA A 69 129.600 -1.381 5.384 1.00 0.88 H new ATOM 0 HB2 ALA A 69 128.688 -1.292 3.858 1.00 0.88 H new ATOM 0 HB3 ALA A 69 130.465 -1.206 3.839 1.00 0.88 H new ATOM 936 N ALA A 70 130.925 0.415 6.526 1.00 1.01 N ATOM 937 CA ALA A 70 132.052 0.810 7.394 1.00 1.12 C ATOM 938 C ALA A 70 133.232 1.157 6.537 1.00 1.08 C ATOM 939 O ALA A 70 134.134 0.344 6.371 1.00 1.29 O ATOM 940 CB ALA A 70 132.493 -0.311 8.331 1.00 1.28 C ATOM 0 H ALA A 70 130.372 -0.367 6.877 1.00 1.01 H new ATOM 0 HA ALA A 70 131.709 1.654 7.992 1.00 1.12 H new ATOM 0 HB1 ALA A 70 133.324 0.034 8.946 1.00 1.28 H new ATOM 0 HB2 ALA A 70 131.660 -0.597 8.974 1.00 1.28 H new ATOM 0 HB3 ALA A 70 132.810 -1.173 7.744 1.00 1.28 H new ATOM 946 N GLY A 71 133.204 2.310 5.916 1.00 1.03 N ATOM 947 CA GLY A 71 134.263 2.619 5.025 1.00 0.99 C ATOM 948 C GLY A 71 134.338 1.542 3.972 1.00 0.92 C ATOM 949 O GLY A 71 135.165 0.640 4.035 1.00 1.09 O ATOM 0 H GLY A 71 132.479 3.021 6.014 1.00 1.03 H new ATOM 0 HA2 GLY A 71 134.095 3.591 4.561 1.00 0.99 H new ATOM 0 HA3 GLY A 71 135.206 2.684 5.567 1.00 0.99 H new ATOM 953 N ILE A 72 133.460 1.645 3.005 1.00 0.79 N ATOM 954 CA ILE A 72 133.386 0.702 1.918 1.00 0.75 C ATOM 955 C ILE A 72 132.986 1.437 0.661 1.00 0.72 C ATOM 956 O ILE A 72 131.937 2.058 0.588 1.00 0.80 O ATOM 957 CB ILE A 72 132.393 -0.456 2.197 1.00 0.75 C ATOM 958 CG1 ILE A 72 133.069 -1.554 3.018 1.00 0.88 C ATOM 959 CG2 ILE A 72 131.821 -1.038 0.910 1.00 0.76 C ATOM 960 CD1 ILE A 72 133.724 -2.660 2.202 1.00 0.99 C ATOM 0 H ILE A 72 132.770 2.394 2.950 1.00 0.79 H new ATOM 0 HA ILE A 72 134.370 0.248 1.801 1.00 0.75 H new ATOM 0 HB ILE A 72 131.563 -0.041 2.769 1.00 0.75 H new ATOM 0 HG12 ILE A 72 133.826 -1.096 3.654 1.00 0.88 H new ATOM 0 HG13 ILE A 72 132.326 -2.002 3.678 1.00 0.88 H new ATOM 0 HG21 ILE A 72 131.130 -1.846 1.151 1.00 0.76 H new ATOM 0 HG22 ILE A 72 131.291 -0.259 0.363 1.00 0.76 H new ATOM 0 HG23 ILE A 72 132.632 -1.426 0.294 1.00 0.76 H new ATOM 0 HD11 ILE A 72 134.175 -3.390 2.874 1.00 0.99 H new ATOM 0 HD12 ILE A 72 132.972 -3.152 1.585 1.00 0.99 H new ATOM 0 HD13 ILE A 72 134.495 -2.232 1.561 1.00 0.99 H new ATOM 972 N CYS A 73 133.841 1.362 -0.317 1.00 0.74 N ATOM 973 CA CYS A 73 133.614 1.999 -1.572 1.00 0.78 C ATOM 974 C CYS A 73 133.109 0.925 -2.527 1.00 0.86 C ATOM 975 O CYS A 73 133.870 0.058 -2.970 1.00 0.97 O ATOM 976 CB CYS A 73 134.914 2.701 -2.036 1.00 0.85 C ATOM 977 SG CYS A 73 134.733 3.852 -3.437 1.00 0.99 S ATOM 0 H CYS A 73 134.722 0.851 -0.261 1.00 0.74 H new ATOM 0 HA CYS A 73 132.862 2.786 -1.520 1.00 0.78 H new ATOM 0 HB2 CYS A 73 135.331 3.249 -1.191 1.00 0.85 H new ATOM 0 HB3 CYS A 73 135.641 1.936 -2.310 1.00 0.85 H new ATOM 982 N CYS A 74 131.793 0.924 -2.754 1.00 0.87 N ATOM 983 CA CYS A 74 131.180 -0.109 -3.575 1.00 0.98 C ATOM 984 C CYS A 74 131.144 0.236 -5.049 1.00 1.15 C ATOM 985 O CYS A 74 131.139 1.402 -5.445 1.00 1.20 O ATOM 986 CB CYS A 74 129.773 -0.457 -3.087 1.00 0.97 C ATOM 987 SG CYS A 74 129.295 -2.171 -3.466 1.00 1.08 S ATOM 0 H CYS A 74 131.144 1.619 -2.384 1.00 0.87 H new ATOM 0 HA CYS A 74 131.823 -0.982 -3.464 1.00 0.98 H new ATOM 0 HB2 CYS A 74 129.718 -0.300 -2.010 1.00 0.97 H new ATOM 0 HB3 CYS A 74 129.056 0.224 -3.545 1.00 0.97 H new ATOM 992 N SER A 75 131.118 -0.824 -5.844 1.00 1.27 N ATOM 993 CA SER A 75 131.086 -0.733 -7.280 1.00 1.46 C ATOM 994 C SER A 75 129.848 -1.440 -7.839 1.00 1.57 C ATOM 995 O SER A 75 129.035 -1.971 -7.082 1.00 1.50 O ATOM 996 CB SER A 75 132.359 -1.353 -7.858 1.00 1.56 C ATOM 997 OG SER A 75 133.464 -1.150 -6.991 1.00 1.47 O ATOM 0 H SER A 75 131.119 -1.782 -5.495 1.00 1.27 H new ATOM 0 HA SER A 75 131.034 0.317 -7.568 1.00 1.46 H new ATOM 0 HB2 SER A 75 132.208 -2.421 -8.016 1.00 1.56 H new ATOM 0 HB3 SER A 75 132.572 -0.913 -8.833 1.00 1.56 H new ATOM 0 HG SER A 75 133.941 -0.336 -7.255 1.00 1.47 H new ATOM 1003 N PRO A 76 129.689 -1.454 -9.176 1.00 1.76 N ATOM 1004 CA PRO A 76 128.543 -2.095 -9.836 1.00 1.89 C ATOM 1005 C PRO A 76 128.631 -3.621 -9.790 1.00 1.92 C ATOM 1006 O PRO A 76 127.670 -4.318 -10.119 1.00 2.02 O ATOM 1007 CB PRO A 76 128.648 -1.617 -11.294 1.00 2.10 C ATOM 1008 CG PRO A 76 129.678 -0.535 -11.296 1.00 2.05 C ATOM 1009 CD PRO A 76 130.593 -0.836 -10.149 1.00 1.87 C ATOM 0 HA PRO A 76 127.603 -1.835 -9.349 1.00 1.89 H new ATOM 0 HB2 PRO A 76 128.939 -2.435 -11.953 1.00 2.10 H new ATOM 0 HB3 PRO A 76 127.689 -1.244 -11.653 1.00 2.10 H new ATOM 0 HG2 PRO A 76 130.226 -0.519 -12.238 1.00 2.05 H new ATOM 0 HG3 PRO A 76 129.215 0.445 -11.179 1.00 2.05 H new ATOM 0 HD2 PRO A 76 131.399 -1.510 -10.439 1.00 1.87 H new ATOM 0 HD3 PRO A 76 131.059 0.067 -9.754 1.00 1.87 H new ATOM 1017 N ASP A 77 129.789 -4.130 -9.379 1.00 1.88 N ATOM 1018 CA ASP A 77 130.004 -5.575 -9.282 1.00 1.95 C ATOM 1019 C ASP A 77 130.068 -6.030 -7.821 1.00 1.79 C ATOM 1020 O ASP A 77 129.661 -7.146 -7.495 1.00 1.85 O ATOM 1021 CB ASP A 77 131.293 -5.970 -10.006 1.00 2.09 C ATOM 1022 CG ASP A 77 131.036 -6.875 -11.197 1.00 2.32 C ATOM 1023 OD1 ASP A 77 130.011 -6.678 -11.883 1.00 2.64 O ATOM 1024 OD2 ASP A 77 131.861 -7.780 -11.442 1.00 2.67 O ATOM 0 H ASP A 77 130.594 -3.566 -9.107 1.00 1.88 H new ATOM 0 HA ASP A 77 129.158 -6.071 -9.758 1.00 1.95 H new ATOM 0 HB2 ASP A 77 131.808 -5.070 -10.342 1.00 2.09 H new ATOM 0 HB3 ASP A 77 131.959 -6.476 -9.306 1.00 2.09 H new ATOM 1029 N GLY A 78 130.580 -5.168 -6.943 1.00 1.62 N ATOM 1030 CA GLY A 78 130.682 -5.511 -5.541 1.00 1.49 C ATOM 1031 C GLY A 78 131.381 -4.440 -4.724 1.00 1.34 C ATOM 1032 O GLY A 78 131.942 -3.497 -5.281 1.00 1.35 O ATOM 0 H GLY A 78 130.925 -4.238 -7.182 1.00 1.62 H new ATOM 0 HA2 GLY A 78 129.683 -5.675 -5.138 1.00 1.49 H new ATOM 0 HA3 GLY A 78 131.225 -6.451 -5.440 1.00 1.49 H new ATOM 1036 N CYS A 79 131.340 -4.574 -3.400 1.00 1.23 N ATOM 1037 CA CYS A 79 131.977 -3.602 -2.525 1.00 1.10 C ATOM 1038 C CYS A 79 133.347 -4.069 -2.051 1.00 1.19 C ATOM 1039 O CYS A 79 133.659 -5.260 -2.091 1.00 1.35 O ATOM 1040 CB CYS A 79 131.109 -3.339 -1.303 1.00 0.98 C ATOM 1041 SG CYS A 79 129.333 -3.098 -1.663 1.00 0.97 S ATOM 0 H CYS A 79 130.875 -5.342 -2.916 1.00 1.23 H new ATOM 0 HA CYS A 79 132.101 -2.690 -3.108 1.00 1.10 H new ATOM 0 HB2 CYS A 79 131.215 -4.176 -0.612 1.00 0.98 H new ATOM 0 HB3 CYS A 79 131.485 -2.453 -0.791 1.00 0.98 H new ATOM 1046 N GLU A 80 134.145 -3.119 -1.561 1.00 1.11 N ATOM 1047 CA GLU A 80 135.462 -3.427 -1.037 1.00 1.22 C ATOM 1048 C GLU A 80 135.856 -2.396 0.022 1.00 1.12 C ATOM 1049 O GLU A 80 135.475 -1.232 -0.079 1.00 0.99 O ATOM 1050 CB GLU A 80 136.495 -3.485 -2.165 1.00 1.36 C ATOM 1051 CG GLU A 80 136.764 -2.141 -2.820 1.00 1.28 C ATOM 1052 CD GLU A 80 138.204 -1.692 -2.661 1.00 1.40 C ATOM 1053 OE1 GLU A 80 139.088 -2.294 -3.307 1.00 1.78 O ATOM 1054 OE2 GLU A 80 138.446 -0.737 -1.895 1.00 1.89 O ATOM 0 H GLU A 80 133.895 -2.131 -1.519 1.00 1.11 H new ATOM 0 HA GLU A 80 135.434 -4.410 -0.567 1.00 1.22 H new ATOM 0 HB2 GLU A 80 137.431 -3.879 -1.768 1.00 1.36 H new ATOM 0 HB3 GLU A 80 136.150 -4.186 -2.925 1.00 1.36 H new ATOM 0 HG2 GLU A 80 136.522 -2.203 -3.881 1.00 1.28 H new ATOM 0 HG3 GLU A 80 136.103 -1.391 -2.386 1.00 1.28 H new ATOM 1061 N GLU A 81 136.593 -2.825 1.049 1.00 1.21 N ATOM 1062 CA GLU A 81 136.995 -1.934 2.114 1.00 1.17 C ATOM 1063 C GLU A 81 137.862 -0.800 1.592 1.00 1.15 C ATOM 1064 O GLU A 81 139.011 -1.007 1.209 1.00 1.30 O ATOM 1065 CB GLU A 81 137.732 -2.715 3.200 1.00 1.34 C ATOM 1066 CG GLU A 81 138.691 -3.752 2.670 1.00 1.53 C ATOM 1067 CD GLU A 81 138.530 -5.104 3.339 1.00 1.77 C ATOM 1068 OE1 GLU A 81 139.193 -5.338 4.371 1.00 2.09 O ATOM 1069 OE2 GLU A 81 137.736 -5.923 2.834 1.00 2.38 O ATOM 0 H GLU A 81 136.918 -3.786 1.156 1.00 1.21 H new ATOM 0 HA GLU A 81 136.096 -1.491 2.542 1.00 1.17 H new ATOM 0 HB2 GLU A 81 138.282 -2.013 3.827 1.00 1.34 H new ATOM 0 HB3 GLU A 81 136.999 -3.207 3.840 1.00 1.34 H new ATOM 0 HG2 GLU A 81 138.540 -3.864 1.596 1.00 1.53 H new ATOM 0 HG3 GLU A 81 139.713 -3.401 2.813 1.00 1.53 H new ATOM 1076 N ASP A 82 137.300 0.405 1.591 1.00 1.01 N ATOM 1077 CA ASP A 82 138.003 1.582 1.118 1.00 1.02 C ATOM 1078 C ASP A 82 138.754 2.289 2.264 1.00 1.06 C ATOM 1079 O ASP A 82 138.155 2.754 3.231 1.00 1.04 O ATOM 1080 CB ASP A 82 137.015 2.535 0.432 1.00 0.95 C ATOM 1081 CG ASP A 82 135.819 2.825 1.293 1.00 1.44 C ATOM 1082 OD1 ASP A 82 135.714 2.204 2.356 1.00 1.90 O ATOM 1083 OD2 ASP A 82 135.002 3.687 0.914 1.00 2.18 O ATOM 0 H ASP A 82 136.351 0.587 1.917 1.00 1.01 H new ATOM 0 HA ASP A 82 138.752 1.269 0.391 1.00 1.02 H new ATOM 0 HB2 ASP A 82 137.522 3.469 0.190 1.00 0.95 H new ATOM 0 HB3 ASP A 82 136.685 2.098 -0.510 1.00 0.95 H new ATOM 1088 N PRO A 83 140.099 2.358 2.140 1.00 1.17 N ATOM 1089 CA PRO A 83 140.996 2.989 3.110 1.00 1.28 C ATOM 1090 C PRO A 83 140.686 4.459 3.249 1.00 1.26 C ATOM 1091 O PRO A 83 141.110 5.139 4.179 1.00 1.38 O ATOM 1092 CB PRO A 83 142.388 2.792 2.485 1.00 1.42 C ATOM 1093 CG PRO A 83 142.223 1.679 1.517 1.00 1.42 C ATOM 1094 CD PRO A 83 140.825 1.816 1.014 1.00 1.26 C ATOM 0 HA PRO A 83 140.907 2.564 4.110 1.00 1.28 H new ATOM 0 HB2 PRO A 83 142.729 3.700 1.987 1.00 1.42 H new ATOM 0 HB3 PRO A 83 143.130 2.547 3.245 1.00 1.42 H new ATOM 0 HG2 PRO A 83 142.945 1.752 0.704 1.00 1.42 H new ATOM 0 HG3 PRO A 83 142.378 0.712 1.996 1.00 1.42 H new ATOM 0 HD2 PRO A 83 140.775 2.479 0.150 1.00 1.26 H new ATOM 0 HD3 PRO A 83 140.417 0.855 0.702 1.00 1.26 H new ATOM 1102 N ALA A 84 139.949 4.927 2.284 1.00 1.17 N ATOM 1103 CA ALA A 84 139.526 6.292 2.205 1.00 1.19 C ATOM 1104 C ALA A 84 138.336 6.588 3.089 1.00 1.16 C ATOM 1105 O ALA A 84 137.924 7.741 3.221 1.00 1.26 O ATOM 1106 CB ALA A 84 139.159 6.549 0.783 1.00 1.17 C ATOM 0 H ALA A 84 139.617 4.352 1.509 1.00 1.17 H new ATOM 0 HA ALA A 84 140.336 6.935 2.550 1.00 1.19 H new ATOM 0 HB1 ALA A 84 138.829 7.582 0.673 1.00 1.17 H new ATOM 0 HB2 ALA A 84 140.027 6.376 0.146 1.00 1.17 H new ATOM 0 HB3 ALA A 84 138.353 5.877 0.488 1.00 1.17 H new ATOM 1112 N CYS A 85 137.707 5.540 3.590 1.00 1.06 N ATOM 1113 CA CYS A 85 136.488 5.727 4.356 1.00 1.08 C ATOM 1114 C CYS A 85 136.406 5.166 5.800 1.00 1.17 C ATOM 1115 O CYS A 85 135.559 5.669 6.532 1.00 1.25 O ATOM 1116 CB CYS A 85 135.273 5.230 3.564 1.00 1.02 C ATOM 1117 SG CYS A 85 134.252 6.530 2.810 1.00 1.24 S ATOM 0 H CYS A 85 138.011 4.572 3.484 1.00 1.06 H new ATOM 0 HA CYS A 85 136.496 6.807 4.506 1.00 1.08 H new ATOM 0 HB2 CYS A 85 135.622 4.563 2.776 1.00 1.02 H new ATOM 0 HB3 CYS A 85 134.645 4.637 4.229 1.00 1.02 H new ATOM 1122 N ASP A 86 137.181 4.144 6.258 1.00 1.21 N ATOM 1123 CA ASP A 86 136.943 3.686 7.668 1.00 1.35 C ATOM 1124 C ASP A 86 137.566 2.353 8.154 1.00 1.45 C ATOM 1125 O ASP A 86 137.768 2.198 9.358 1.00 1.61 O ATOM 1126 CB ASP A 86 135.443 3.495 7.852 1.00 1.32 C ATOM 1127 CG ASP A 86 135.007 3.479 9.305 1.00 1.51 C ATOM 1128 OD1 ASP A 86 135.386 2.536 10.029 1.00 1.99 O ATOM 1129 OD2 ASP A 86 134.276 4.406 9.715 1.00 1.85 O ATOM 0 H ASP A 86 137.910 3.657 5.736 1.00 1.21 H new ATOM 0 HA ASP A 86 137.431 4.469 8.249 1.00 1.35 H new ATOM 0 HB2 ASP A 86 134.917 4.296 7.332 1.00 1.32 H new ATOM 0 HB3 ASP A 86 135.144 2.559 7.381 1.00 1.32 H new ATOM 1134 N PRO A 87 137.797 1.344 7.293 1.00 1.40 N ATOM 1135 CA PRO A 87 138.289 0.035 7.703 1.00 1.53 C ATOM 1136 C PRO A 87 139.753 -0.104 7.413 1.00 1.63 C ATOM 1137 O PRO A 87 140.606 -0.004 8.295 1.00 1.79 O ATOM 1138 CB PRO A 87 137.483 -0.910 6.800 1.00 1.42 C ATOM 1139 CG PRO A 87 136.874 -0.029 5.761 1.00 1.23 C ATOM 1140 CD PRO A 87 137.568 1.306 5.874 1.00 1.24 C ATOM 0 HA PRO A 87 138.174 -0.156 8.770 1.00 1.53 H new ATOM 0 HB2 PRO A 87 138.125 -1.667 6.349 1.00 1.42 H new ATOM 0 HB3 PRO A 87 136.717 -1.439 7.367 1.00 1.42 H new ATOM 0 HG2 PRO A 87 137.007 -0.453 4.766 1.00 1.23 H new ATOM 0 HG3 PRO A 87 135.801 0.076 5.921 1.00 1.23 H new ATOM 0 HD2 PRO A 87 138.494 1.345 5.300 1.00 1.24 H new ATOM 0 HD3 PRO A 87 136.945 2.131 5.529 1.00 1.24 H new ATOM 1148 N GLU A 88 140.028 -0.257 6.132 1.00 1.55 N ATOM 1149 CA GLU A 88 141.387 -0.337 5.648 1.00 1.65 C ATOM 1150 C GLU A 88 141.988 1.050 5.782 1.00 1.65 C ATOM 1151 O GLU A 88 143.175 1.280 5.551 1.00 1.75 O ATOM 1152 CB GLU A 88 141.416 -0.788 4.170 1.00 1.59 C ATOM 1153 CG GLU A 88 142.765 -1.356 3.718 1.00 1.76 C ATOM 1154 CD GLU A 88 142.626 -2.469 2.695 1.00 1.95 C ATOM 1155 OE1 GLU A 88 141.863 -3.422 2.957 1.00 2.33 O ATOM 1156 OE2 GLU A 88 143.282 -2.388 1.635 1.00 2.40 O ATOM 0 H GLU A 88 139.318 -0.329 5.403 1.00 1.55 H new ATOM 0 HA GLU A 88 141.955 -1.068 6.223 1.00 1.65 H new ATOM 0 HB2 GLU A 88 140.645 -1.543 4.016 1.00 1.59 H new ATOM 0 HB3 GLU A 88 141.160 0.061 3.537 1.00 1.59 H new ATOM 0 HG2 GLU A 88 143.368 -0.553 3.294 1.00 1.76 H new ATOM 0 HG3 GLU A 88 143.304 -1.734 4.587 1.00 1.76 H new ATOM 1163 N ALA A 89 141.112 1.969 6.158 1.00 1.55 N ATOM 1164 CA ALA A 89 141.428 3.350 6.347 1.00 1.56 C ATOM 1165 C ALA A 89 142.165 3.606 7.654 1.00 1.76 C ATOM 1166 O ALA A 89 142.753 2.703 8.251 1.00 1.90 O ATOM 1167 CB ALA A 89 140.134 4.122 6.328 1.00 1.45 C ATOM 0 H ALA A 89 140.133 1.752 6.343 1.00 1.55 H new ATOM 0 HA ALA A 89 142.096 3.670 5.547 1.00 1.56 H new ATOM 0 HB1 ALA A 89 140.341 5.183 6.470 1.00 1.45 H new ATOM 0 HB2 ALA A 89 139.636 3.975 5.369 1.00 1.45 H new ATOM 0 HB3 ALA A 89 139.487 3.768 7.131 1.00 1.45 H new ATOM 1173 N ALA A 90 142.084 4.844 8.102 1.00 1.80 N ATOM 1174 CA ALA A 90 142.669 5.273 9.348 1.00 1.99 C ATOM 1175 C ALA A 90 141.923 4.609 10.483 1.00 2.09 C ATOM 1176 O ALA A 90 141.046 3.779 10.241 1.00 2.01 O ATOM 1177 CB ALA A 90 142.559 6.777 9.489 1.00 2.03 C ATOM 0 H ALA A 90 141.601 5.588 7.599 1.00 1.80 H new ATOM 0 HA ALA A 90 143.723 4.995 9.370 1.00 1.99 H new ATOM 0 HB1 ALA A 90 143.005 7.087 10.434 1.00 2.03 H new ATOM 0 HB2 ALA A 90 143.084 7.259 8.665 1.00 2.03 H new ATOM 0 HB3 ALA A 90 141.509 7.068 9.470 1.00 2.03 H new ATOM 1183 N PHE A 91 142.227 4.988 11.715 1.00 2.30 N ATOM 1184 CA PHE A 91 141.504 4.427 12.844 1.00 2.43 C ATOM 1185 C PHE A 91 140.115 5.052 12.837 1.00 2.39 C ATOM 1186 O PHE A 91 139.724 5.772 13.758 1.00 2.55 O ATOM 1187 CB PHE A 91 142.227 4.749 14.158 1.00 2.67 C ATOM 1188 CG PHE A 91 143.178 3.677 14.620 1.00 3.12 C ATOM 1189 CD1 PHE A 91 142.716 2.577 15.328 1.00 3.59 C ATOM 1190 CD2 PHE A 91 144.534 3.780 14.361 1.00 3.74 C ATOM 1191 CE1 PHE A 91 143.593 1.600 15.764 1.00 4.42 C ATOM 1192 CE2 PHE A 91 145.415 2.809 14.797 1.00 4.56 C ATOM 1193 CZ PHE A 91 144.943 1.717 15.500 1.00 4.82 C ATOM 0 H PHE A 91 142.951 5.665 11.955 1.00 2.30 H new ATOM 0 HA PHE A 91 141.443 3.342 12.763 1.00 2.43 H new ATOM 0 HB2 PHE A 91 142.779 5.681 14.036 1.00 2.67 H new ATOM 0 HB3 PHE A 91 141.483 4.919 14.936 1.00 2.67 H new ATOM 0 HD1 PHE A 91 141.661 2.483 15.541 1.00 3.59 H new ATOM 0 HD2 PHE A 91 144.908 4.631 13.811 1.00 3.74 H new ATOM 0 HE1 PHE A 91 143.222 0.746 16.311 1.00 4.42 H new ATOM 0 HE2 PHE A 91 146.471 2.903 14.589 1.00 4.56 H new ATOM 0 HZ PHE A 91 145.629 0.956 15.842 1.00 4.82 H new ATOM 1203 N SER A 92 139.394 4.783 11.748 1.00 2.21 N ATOM 1204 CA SER A 92 138.060 5.312 11.526 1.00 2.17 C ATOM 1205 C SER A 92 136.998 4.239 11.749 1.00 2.21 C ATOM 1206 O SER A 92 137.359 3.042 11.752 1.00 2.71 O ATOM 1207 CB SER A 92 137.971 5.874 10.098 1.00 1.99 C ATOM 1208 OG SER A 92 136.638 5.839 9.618 1.00 2.01 O ATOM 1209 OXT SER A 92 135.814 4.601 11.907 1.00 2.23 O ATOM 0 H SER A 92 139.728 4.186 10.992 1.00 2.21 H new ATOM 0 HA SER A 92 137.872 6.111 12.243 1.00 2.17 H new ATOM 0 HB2 SER A 92 138.339 6.900 10.084 1.00 1.99 H new ATOM 0 HB3 SER A 92 138.615 5.295 9.435 1.00 1.99 H new ATOM 0 HG SER A 92 136.591 6.289 8.749 1.00 2.01 H new TER 1215 SER A 92 CONECT 150 747 CONECT 193 372 CONECT 291 597 CONECT 372 193 CONECT 382 452 CONECT 452 382 CONECT 597 291 CONECT 747 150 CONECT 845 977 CONECT 911 1117 CONECT 977 845 CONECT 987 1041 CONECT 1041 987 CONECT 1117 911 END