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 1 CYS A 10 CYS A 54 1555 1555 2.04 SSBOND 2 CYS A 13 CYS A 27 1555 1555 2.03 SSBOND 3 CYS A 21 CYS A 44 1555 1555 2.03 SSBOND 4 CYS A 28 CYS A 34 1555 1555 2.02 SSBOND 5 CYS A 61 CYS A 73 1555 1555 2.03 SSBOND 6 CYS A 67 CYS A 85 1555 1555 2.03 SSBOND 7 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 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 6 H1 ALA A 1 124.511 12.437 -0.315 1.00 8.59 H ATOM 7 H2 ALA A 1 122.907 12.058 0.165 1.00 8.79 H ATOM 8 H3 ALA A 1 123.386 13.696 -0.022 1.00 8.65 H ATOM 9 HA ALA A 1 123.767 13.301 -2.359 1.00 7.86 H ATOM 10 HB1 ALA A 1 122.346 10.684 -1.948 1.00 8.75 H ATOM 11 HB2 ALA A 1 124.105 10.807 -2.005 1.00 8.66 H ATOM 12 HB3 ALA A 1 123.141 11.283 -3.403 1.00 8.80 H 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 20 H VAL A 2 122.252 14.434 -3.417 1.00 7.11 H ATOM 21 HA VAL A 2 119.925 15.347 -2.296 1.00 6.05 H ATOM 22 HB VAL A 2 119.090 15.527 -4.767 1.00 5.92 H ATOM 23 HG11 VAL A 2 119.755 17.614 -4.450 1.00 7.52 H ATOM 24 HG12 VAL A 2 121.418 17.160 -4.819 1.00 7.51 H ATOM 25 HG13 VAL A 2 120.828 17.074 -3.159 1.00 7.44 H ATOM 26 HG21 VAL A 2 121.899 15.360 -5.606 1.00 6.95 H ATOM 27 HG22 VAL A 2 120.428 14.884 -6.455 1.00 6.96 H ATOM 28 HG23 VAL A 2 121.136 13.811 -5.247 1.00 6.94 H 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 37 H LEU A 3 117.657 14.835 -2.784 1.00 4.56 H ATOM 38 HA LEU A 3 117.130 12.139 -2.395 1.00 2.98 H ATOM 39 HB2 LEU A 3 115.545 14.615 -2.811 1.00 4.14 H ATOM 40 HB3 LEU A 3 114.736 13.078 -3.024 1.00 3.57 H ATOM 41 HG LEU A 3 114.294 13.469 -0.812 1.00 4.12 H ATOM 42 HD11 LEU A 3 116.979 12.325 -0.301 1.00 3.18 H ATOM 43 HD12 LEU A 3 115.881 11.427 -1.357 1.00 3.48 H ATOM 44 HD13 LEU A 3 115.405 11.806 0.314 1.00 3.45 H ATOM 45 HD21 LEU A 3 115.216 15.291 0.085 1.00 5.17 H ATOM 46 HD22 LEU A 3 116.597 15.207 -1.008 1.00 5.31 H ATOM 47 HD23 LEU A 3 116.606 14.288 0.497 1.00 5.16 H 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 56 H ASP A 4 115.934 10.710 -3.755 1.00 2.81 H ATOM 57 HA ASP A 4 116.811 10.865 -6.382 1.00 4.38 H ATOM 58 HB2 ASP A 4 116.335 8.835 -4.725 1.00 3.58 H ATOM 59 HB3 ASP A 4 114.861 8.821 -5.668 1.00 4.15 H 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 68 H LEU A 5 113.613 10.207 -5.213 1.00 5.12 H ATOM 69 HA LEU A 5 112.438 12.134 -6.955 1.00 6.19 H ATOM 70 HB2 LEU A 5 110.743 10.301 -7.527 1.00 7.85 H ATOM 71 HB3 LEU A 5 112.334 10.282 -8.238 1.00 7.28 H ATOM 72 HG LEU A 5 113.055 8.537 -6.784 1.00 7.04 H ATOM 73 HD11 LEU A 5 110.364 8.358 -5.625 1.00 7.58 H ATOM 74 HD12 LEU A 5 111.705 9.212 -4.861 1.00 7.55 H ATOM 75 HD13 LEU A 5 111.829 7.485 -5.168 1.00 7.60 H ATOM 76 HD21 LEU A 5 111.811 8.045 -8.920 1.00 8.54 H ATOM 77 HD22 LEU A 5 110.410 7.714 -7.900 1.00 8.66 H ATOM 78 HD23 LEU A 5 111.871 6.738 -7.741 1.00 8.44 H 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 87 H ASP A 6 109.807 10.569 -6.141 1.00 7.25 H ATOM 88 HA ASP A 6 109.311 12.235 -3.922 1.00 7.08 H ATOM 89 HB2 ASP A 6 107.710 10.531 -5.732 1.00 8.84 H ATOM 90 HB3 ASP A 6 107.029 10.922 -4.164 1.00 8.96 H 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 98 H VAL A 7 109.892 8.856 -4.438 1.00 7.30 H ATOM 99 HA VAL A 7 109.382 8.414 -1.612 1.00 6.99 H ATOM 100 HB VAL A 7 109.216 6.007 -2.098 1.00 7.58 H ATOM 101 HG11 VAL A 7 106.979 6.159 -2.997 1.00 9.29 H ATOM 102 HG12 VAL A 7 107.351 7.725 -3.732 1.00 9.35 H ATOM 103 HG13 VAL A 7 107.274 7.563 -1.974 1.00 9.30 H ATOM 104 HG21 VAL A 7 108.719 5.515 -4.585 1.00 8.10 H ATOM 105 HG22 VAL A 7 110.403 5.631 -4.074 1.00 8.03 H ATOM 106 HG23 VAL A 7 109.634 6.982 -4.901 1.00 8.29 H 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 118 H ARG A 8 111.318 9.242 -0.969 1.00 5.28 H ATOM 119 HA ARG A 8 113.784 8.193 -1.864 1.00 3.85 H ATOM 120 HB2 ARG A 8 113.143 10.083 0.368 1.00 4.50 H ATOM 121 HB3 ARG A 8 114.673 9.918 -0.414 1.00 3.61 H ATOM 122 HG2 ARG A 8 114.150 11.330 -2.006 1.00 4.19 H ATOM 123 HG3 ARG A 8 112.637 10.473 -2.323 1.00 4.73 H ATOM 124 HD2 ARG A 8 111.601 11.558 -0.457 1.00 5.62 H ATOM 125 HD3 ARG A 8 113.109 12.366 -0.067 1.00 5.10 H ATOM 126 HE ARG A 8 112.360 13.014 -2.707 1.00 5.52 H ATOM 127 HH11 ARG A 8 111.359 13.641 0.583 1.00 6.68 H ATOM 128 HH12 ARG A 8 110.689 15.195 0.211 1.00 7.71 H ATOM 129 HH21 ARG A 8 111.479 15.056 -3.184 1.00 6.88 H ATOM 130 HH22 ARG A 8 110.757 15.994 -1.920 1.00 7.77 H 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 138 H THR A 9 115.231 8.298 0.508 1.00 3.09 H ATOM 139 HA THR A 9 116.037 6.826 2.041 1.00 3.31 H ATOM 140 HB THR A 9 113.196 6.820 2.854 1.00 4.42 H ATOM 141 HG1 THR A 9 114.907 8.828 2.757 1.00 5.32 H ATOM 142 HG21 THR A 9 113.775 5.608 4.610 1.00 5.42 H ATOM 143 HG22 THR A 9 114.899 6.883 5.081 1.00 5.14 H ATOM 144 HG23 THR A 9 115.444 5.572 4.037 1.00 5.43 H 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 151 H CYS A 10 116.492 5.247 0.397 1.00 1.88 H ATOM 152 HA CYS A 10 114.773 3.283 -0.487 1.00 2.69 H ATOM 153 HB2 CYS A 10 117.513 3.859 -0.706 1.00 2.86 H ATOM 154 HB3 CYS A 10 117.422 2.200 -0.133 1.00 3.21 H 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 163 H LEU A 11 115.340 0.861 -0.044 1.00 1.73 H ATOM 164 HA LEU A 11 114.257 0.283 2.496 1.00 1.97 H ATOM 165 HB2 LEU A 11 115.409 -1.409 0.301 1.00 2.30 H ATOM 166 HB3 LEU A 11 114.798 -2.109 1.788 1.00 2.35 H ATOM 167 HG LEU A 11 112.590 -1.523 1.309 1.00 2.92 H ATOM 168 HD11 LEU A 11 113.594 0.341 -0.832 1.00 2.93 H ATOM 169 HD12 LEU A 11 112.992 0.821 0.755 1.00 3.12 H ATOM 170 HD13 LEU A 11 111.907 0.057 -0.405 1.00 2.92 H ATOM 171 HD21 LEU A 11 113.180 -1.868 -1.528 1.00 3.55 H ATOM 172 HD22 LEU A 11 112.248 -2.886 -0.431 1.00 3.50 H ATOM 173 HD23 LEU A 11 114.006 -3.026 -0.486 1.00 3.92 H 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 181 HA PRO A 12 118.139 0.525 4.744 1.00 1.41 H ATOM 182 HB2 PRO A 12 116.501 -0.817 6.808 1.00 1.52 H ATOM 183 HB3 PRO A 12 117.481 0.647 6.918 1.00 1.57 H ATOM 184 HG2 PRO A 12 114.796 0.720 6.842 1.00 1.82 H ATOM 185 HG3 PRO A 12 115.809 1.990 6.139 1.00 1.84 H ATOM 186 HD2 PRO A 12 114.254 -0.163 4.797 1.00 1.82 H ATOM 187 HD3 PRO A 12 114.659 1.464 4.216 1.00 1.93 H 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 194 H CYS A 13 119.093 -1.215 6.399 1.00 1.25 H ATOM 195 HA CYS A 13 118.631 -3.906 5.618 1.00 1.11 H ATOM 196 HB2 CYS A 13 120.295 -2.584 4.021 1.00 1.02 H ATOM 197 HB3 CYS A 13 121.435 -3.117 5.255 1.00 0.98 H 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 202 H GLY A 14 120.557 -5.294 6.697 1.00 0.98 H ATOM 203 HA2 GLY A 14 121.547 -5.937 8.689 1.00 1.08 H ATOM 204 HA3 GLY A 14 121.849 -4.239 8.920 1.00 1.11 H 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 212 HA PRO A 15 119.034 -5.142 12.315 1.00 1.55 H ATOM 213 HB2 PRO A 15 120.315 -3.764 14.155 1.00 1.78 H ATOM 214 HB3 PRO A 15 121.100 -5.182 13.429 1.00 1.64 H ATOM 215 HG2 PRO A 15 121.485 -2.296 12.733 1.00 1.62 H ATOM 216 HG3 PRO A 15 122.712 -3.524 13.095 1.00 1.61 H ATOM 217 HD2 PRO A 15 121.922 -2.879 10.557 1.00 1.34 H ATOM 218 HD3 PRO A 15 122.558 -4.475 10.998 1.00 1.34 H 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 223 H GLY A 16 117.122 -4.122 11.906 1.00 1.58 H ATOM 224 HA2 GLY A 16 115.541 -2.465 12.268 1.00 1.82 H ATOM 225 HA3 GLY A 16 116.827 -1.408 12.835 1.00 1.86 H 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 230 H GLY A 17 118.347 -0.634 11.070 1.00 1.63 H ATOM 231 HA2 GLY A 17 117.657 -0.613 8.405 1.00 1.48 H ATOM 232 HA3 GLY A 17 116.868 0.761 9.134 1.00 1.70 H 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 242 H LYS A 18 119.893 -0.559 10.124 1.00 1.47 H ATOM 243 HA LYS A 18 121.207 1.897 10.058 1.00 1.57 H ATOM 244 HB2 LYS A 18 121.783 -0.871 10.784 1.00 1.45 H ATOM 245 HB3 LYS A 18 123.176 0.054 10.249 1.00 1.41 H ATOM 246 HG2 LYS A 18 122.559 -0.054 12.755 1.00 1.71 H ATOM 247 HG3 LYS A 18 123.121 1.452 12.033 1.00 1.69 H ATOM 248 HD2 LYS A 18 120.864 2.205 11.768 1.00 1.77 H ATOM 249 HD3 LYS A 18 120.244 0.691 12.398 1.00 1.78 H ATOM 250 HE2 LYS A 18 120.155 1.854 14.343 1.00 2.09 H ATOM 251 HE3 LYS A 18 121.853 1.385 14.431 1.00 2.01 H ATOM 252 HZ1 LYS A 18 121.304 3.844 12.987 1.00 2.29 H ATOM 253 HZ2 LYS A 18 122.539 3.484 14.085 1.00 2.39 H ATOM 254 HZ3 LYS A 18 121.001 3.897 14.651 1.00 2.21 H 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 259 H GLY A 19 121.102 -0.859 8.004 1.00 1.22 H ATOM 260 HA2 GLY A 19 122.909 0.377 6.105 1.00 1.10 H ATOM 261 HA3 GLY A 19 122.539 -1.333 6.156 1.00 1.02 H 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 273 H ARG A 20 122.246 -0.750 3.775 1.00 1.00 H ATOM 274 HA ARG A 20 119.474 -0.699 3.192 1.00 1.17 H ATOM 275 HB2 ARG A 20 119.447 1.308 1.839 1.00 1.40 H ATOM 276 HB3 ARG A 20 119.913 1.697 3.491 1.00 1.37 H ATOM 277 HG2 ARG A 20 121.979 2.352 2.909 1.00 1.38 H ATOM 278 HG3 ARG A 20 122.112 1.111 1.665 1.00 1.23 H ATOM 279 HD2 ARG A 20 121.652 2.599 0.095 1.00 1.56 H ATOM 280 HD3 ARG A 20 120.114 2.941 0.870 1.00 1.60 H ATOM 281 HE ARG A 20 122.610 4.426 1.219 1.00 1.93 H ATOM 282 HH11 ARG A 20 119.207 4.086 1.961 1.00 3.13 H ATOM 283 HH12 ARG A 20 119.059 5.700 2.568 1.00 3.94 H ATOM 284 HH21 ARG A 20 122.401 6.541 2.021 1.00 2.40 H ATOM 285 HH22 ARG A 20 120.864 7.089 2.604 1.00 3.23 H 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 292 H CYS A 21 119.329 -0.431 0.619 1.00 1.29 H ATOM 293 HA CYS A 21 120.950 -2.533 -0.453 1.00 1.18 H ATOM 294 HB2 CYS A 21 118.860 -0.712 -1.600 1.00 1.80 H ATOM 295 HB3 CYS A 21 119.618 -2.000 -2.499 1.00 1.62 H 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 307 H PHE A 22 122.171 -2.263 -2.500 1.00 1.38 H ATOM 308 HA PHE A 22 123.121 0.539 -2.906 1.00 1.58 H ATOM 309 HB2 PHE A 22 124.742 -1.829 -1.988 1.00 1.35 H ATOM 310 HB3 PHE A 22 125.482 -0.668 -3.101 1.00 1.46 H ATOM 311 HD1 PHE A 22 123.634 -0.912 0.092 1.00 2.58 H ATOM 312 HD2 PHE A 22 126.241 1.395 -2.355 1.00 2.38 H ATOM 313 HE1 PHE A 22 123.965 0.680 1.942 1.00 2.54 H ATOM 314 HE2 PHE A 22 126.567 2.994 -0.516 1.00 2.39 H ATOM 315 HZ PHE A 22 125.425 2.639 1.637 1.00 1.32 H 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 320 H GLY A 23 122.912 -2.820 -4.149 1.00 1.84 H ATOM 321 HA2 GLY A 23 122.654 -1.881 -6.840 1.00 2.06 H ATOM 322 HA3 GLY A 23 124.219 -2.616 -6.553 1.00 1.90 H 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 330 HA PRO A 24 121.975 -6.380 -7.432 1.00 2.26 H ATOM 331 HB2 PRO A 24 124.076 -7.871 -8.053 1.00 2.33 H ATOM 332 HB3 PRO A 24 123.685 -6.439 -9.011 1.00 2.40 H ATOM 333 HG2 PRO A 24 125.848 -6.838 -7.015 1.00 2.03 H ATOM 334 HG3 PRO A 24 125.830 -5.833 -8.472 1.00 2.18 H ATOM 335 HD2 PRO A 24 125.338 -5.014 -5.767 1.00 1.74 H ATOM 336 HD3 PRO A 24 125.212 -4.032 -7.242 1.00 1.93 H 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 343 H SER A 25 121.001 -7.289 -5.614 1.00 2.07 H ATOM 344 HA SER A 25 120.766 -8.481 -3.654 1.00 1.78 H ATOM 345 HB2 SER A 25 121.980 -10.087 -5.520 1.00 2.10 H ATOM 346 HB3 SER A 25 123.119 -10.189 -4.169 1.00 1.89 H ATOM 347 HG SER A 25 121.580 -11.084 -2.925 1.00 1.96 H 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 356 H ILE A 26 122.497 -6.166 -3.576 1.00 1.60 H ATOM 357 HA ILE A 26 124.365 -7.039 -1.492 1.00 1.31 H ATOM 358 HB ILE A 26 125.158 -6.062 -3.795 1.00 1.54 H ATOM 359 HG12 ILE A 26 126.488 -4.933 -1.382 1.00 1.18 H ATOM 360 HG13 ILE A 26 126.374 -6.707 -1.589 1.00 1.31 H ATOM 361 HG21 ILE A 26 123.811 -3.969 -3.423 1.00 1.71 H ATOM 362 HG22 ILE A 26 125.519 -3.692 -3.769 1.00 1.60 H ATOM 363 HG23 ILE A 26 124.918 -3.586 -2.103 1.00 1.72 H ATOM 364 HD11 ILE A 26 127.542 -4.787 -3.621 1.00 1.61 H ATOM 365 HD12 ILE A 26 127.512 -6.540 -3.733 1.00 1.73 H ATOM 366 HD13 ILE A 26 128.491 -5.766 -2.485 1.00 1.69 H 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 373 H CYS A 27 124.974 -5.504 0.076 1.00 1.03 H ATOM 374 HA CYS A 27 123.237 -3.295 0.710 1.00 1.00 H ATOM 375 HB2 CYS A 27 122.995 -5.956 1.828 1.00 1.27 H ATOM 376 HB3 CYS A 27 123.351 -4.771 3.066 1.00 1.05 H 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 383 H CYS A 28 124.283 -1.832 2.126 1.00 0.88 H ATOM 384 HA CYS A 28 126.850 -2.609 3.222 1.00 0.83 H ATOM 385 HB2 CYS A 28 126.498 -1.156 0.844 1.00 0.93 H ATOM 386 HB3 CYS A 28 127.054 -0.004 2.039 1.00 1.15 H 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 391 H GLY A 29 126.281 -2.174 5.476 1.00 0.82 H ATOM 392 HA2 GLY A 29 124.843 0.210 6.006 1.00 1.01 H ATOM 393 HA3 GLY A 29 125.400 -0.965 7.133 1.00 0.98 H 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 402 H ASP A 30 126.022 2.142 5.982 1.00 1.12 H ATOM 403 HA ASP A 30 128.771 2.319 6.006 1.00 1.06 H ATOM 404 HB2 ASP A 30 127.129 4.208 5.500 1.00 1.30 H ATOM 405 HB3 ASP A 30 126.996 4.431 7.244 1.00 1.49 H 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 415 H GLU A 31 126.629 3.034 8.741 1.00 1.42 H ATOM 416 HA GLU A 31 128.728 2.558 10.642 1.00 1.64 H ATOM 417 HB2 GLU A 31 126.977 3.068 12.306 1.00 1.89 H ATOM 418 HB3 GLU A 31 127.066 4.328 11.076 1.00 1.82 H ATOM 419 HG2 GLU A 31 125.077 3.720 10.100 1.00 1.73 H ATOM 420 HG3 GLU A 31 125.154 2.047 10.685 1.00 1.59 H 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 429 H LEU A 32 127.706 0.435 8.766 1.00 1.22 H ATOM 430 HA LEU A 32 127.170 -1.625 10.696 1.00 1.37 H ATOM 431 HB2 LEU A 32 125.035 -0.534 10.268 1.00 1.41 H ATOM 432 HB3 LEU A 32 125.256 -0.846 8.559 1.00 1.24 H ATOM 433 HG LEU A 32 123.785 -2.352 10.305 1.00 1.25 H ATOM 434 HD11 LEU A 32 124.809 -3.723 7.939 1.00 1.33 H ATOM 435 HD12 LEU A 32 124.187 -2.073 7.668 1.00 1.44 H ATOM 436 HD13 LEU A 32 123.162 -3.326 8.419 1.00 1.44 H ATOM 437 HD21 LEU A 32 124.846 -4.156 11.090 1.00 1.65 H ATOM 438 HD22 LEU A 32 126.337 -3.259 10.828 1.00 1.70 H ATOM 439 HD23 LEU A 32 125.757 -4.381 9.600 1.00 1.51 H 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 444 H GLY A 33 129.302 -1.148 8.817 1.00 1.32 H ATOM 445 HA2 GLY A 33 130.513 -2.210 7.164 1.00 1.04 H ATOM 446 HA3 GLY A 33 129.924 -3.632 7.962 1.00 1.12 H 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 453 H CYS A 34 130.217 -4.531 5.741 1.00 1.04 H ATOM 454 HA CYS A 34 127.801 -4.011 4.140 1.00 0.88 H ATOM 455 HB2 CYS A 34 130.161 -3.152 3.315 1.00 1.13 H ATOM 456 HB3 CYS A 34 130.308 -4.816 2.758 1.00 1.16 H 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 468 H PHE A 35 126.791 -5.662 3.174 1.00 0.90 H ATOM 469 HA PHE A 35 127.908 -8.377 3.406 1.00 1.23 H ATOM 470 HB2 PHE A 35 124.994 -7.858 3.926 1.00 1.00 H ATOM 471 HB3 PHE A 35 125.958 -9.265 4.340 1.00 1.19 H ATOM 472 HD1 PHE A 35 125.799 -5.629 5.069 1.00 0.93 H ATOM 473 HD2 PHE A 35 126.562 -9.566 6.518 1.00 1.34 H ATOM 474 HE1 PHE A 35 126.136 -4.723 7.318 1.00 1.03 H ATOM 475 HE2 PHE A 35 126.903 -8.647 8.790 1.00 1.41 H ATOM 476 HZ PHE A 35 126.680 -6.215 9.182 1.00 1.23 H 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 484 H VAL A 36 127.875 -9.328 1.409 1.00 1.34 H ATOM 485 HA VAL A 36 125.928 -8.289 -0.530 1.00 1.32 H ATOM 486 HB VAL A 36 128.123 -10.208 -1.257 1.00 1.62 H ATOM 487 HG11 VAL A 36 127.563 -9.749 -3.398 1.00 1.93 H ATOM 488 HG12 VAL A 36 127.253 -8.043 -3.067 1.00 1.95 H ATOM 489 HG13 VAL A 36 126.022 -9.255 -2.688 1.00 1.87 H ATOM 490 HG21 VAL A 36 129.436 -8.552 -0.280 1.00 1.75 H ATOM 491 HG22 VAL A 36 128.346 -7.256 -0.771 1.00 1.63 H ATOM 492 HG23 VAL A 36 129.366 -8.052 -1.969 1.00 1.72 H 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 497 H GLY A 37 124.095 -9.315 -0.452 1.00 1.40 H ATOM 498 HA2 GLY A 37 122.549 -11.048 -0.421 1.00 1.61 H ATOM 499 HA3 GLY A 37 123.794 -12.008 -1.209 1.00 1.79 H 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 507 H THR A 38 124.297 -10.598 1.932 1.00 1.39 H ATOM 508 HA THR A 38 124.570 -13.258 3.098 1.00 1.56 H ATOM 509 HB THR A 38 125.118 -10.760 4.635 1.00 1.50 H ATOM 510 HG1 THR A 38 127.162 -10.608 3.593 1.00 2.21 H ATOM 511 HG21 THR A 38 126.475 -11.983 5.876 1.00 2.09 H ATOM 512 HG22 THR A 38 127.200 -12.778 4.471 1.00 1.97 H ATOM 513 HG23 THR A 38 125.680 -13.382 5.129 1.00 2.14 H 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 519 H ALA A 39 123.993 -12.960 5.717 1.00 1.46 H ATOM 520 HA ALA A 39 121.193 -13.110 5.829 1.00 1.32 H ATOM 521 HB1 ALA A 39 121.758 -12.701 8.409 1.00 1.86 H ATOM 522 HB2 ALA A 39 123.380 -13.086 7.834 1.00 1.90 H ATOM 523 HB3 ALA A 39 122.065 -14.238 7.601 1.00 1.81 H 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 533 H GLU A 40 123.415 -10.539 6.861 1.00 1.25 H ATOM 534 HA GLU A 40 121.287 -8.751 7.575 1.00 1.14 H ATOM 535 HB2 GLU A 40 124.206 -8.820 7.741 1.00 1.22 H ATOM 536 HB3 GLU A 40 123.566 -7.231 7.374 1.00 1.11 H ATOM 537 HG2 GLU A 40 123.545 -7.093 9.627 1.00 1.35 H ATOM 538 HG3 GLU A 40 121.954 -7.811 9.394 1.00 1.30 H 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 544 H ALA A 41 122.072 -9.792 4.644 1.00 1.07 H ATOM 545 HA ALA A 41 121.930 -7.155 3.353 1.00 0.96 H ATOM 546 HB1 ALA A 41 122.572 -9.585 1.804 1.00 1.55 H ATOM 547 HB2 ALA A 41 123.780 -9.004 2.944 1.00 1.51 H ATOM 548 HB3 ALA A 41 123.212 -7.948 1.651 1.00 1.48 H 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 557 H LEU A 42 120.261 -10.136 3.833 1.00 1.11 H ATOM 558 HA LEU A 42 118.700 -10.299 1.566 1.00 1.17 H ATOM 559 HB2 LEU A 42 117.025 -11.463 3.053 1.00 1.25 H ATOM 560 HB3 LEU A 42 118.643 -12.129 3.016 1.00 1.34 H ATOM 561 HG LEU A 42 118.988 -11.748 5.206 1.00 1.33 H ATOM 562 HD11 LEU A 42 118.347 -9.786 6.437 1.00 1.49 H ATOM 563 HD12 LEU A 42 117.336 -9.247 5.099 1.00 1.62 H ATOM 564 HD13 LEU A 42 119.088 -9.324 4.901 1.00 1.57 H ATOM 565 HD21 LEU A 42 117.187 -12.887 5.857 1.00 1.78 H ATOM 566 HD22 LEU A 42 116.134 -12.036 4.728 1.00 1.66 H ATOM 567 HD23 LEU A 42 116.510 -11.318 6.295 1.00 1.87 H 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 579 H ARG A 43 118.588 -7.801 3.860 1.00 1.01 H ATOM 580 HA ARG A 43 115.907 -7.151 3.948 1.00 1.25 H ATOM 581 HB2 ARG A 43 118.290 -5.936 4.732 1.00 1.11 H ATOM 582 HB3 ARG A 43 117.502 -4.782 3.673 1.00 1.21 H ATOM 583 HG2 ARG A 43 116.866 -4.412 5.985 1.00 1.45 H ATOM 584 HG3 ARG A 43 115.475 -4.901 5.016 1.00 1.51 H ATOM 585 HD2 ARG A 43 115.105 -6.614 6.377 1.00 1.55 H ATOM 586 HD3 ARG A 43 116.727 -7.249 6.060 1.00 1.32 H ATOM 587 HE ARG A 43 117.205 -5.320 7.868 1.00 1.78 H ATOM 588 HH11 ARG A 43 114.877 -7.921 7.824 1.00 2.09 H ATOM 589 HH12 ARG A 43 114.854 -8.092 9.546 1.00 2.69 H ATOM 590 HH21 ARG A 43 117.172 -5.538 10.123 1.00 2.38 H ATOM 591 HH22 ARG A 43 116.159 -6.737 10.854 1.00 2.75 H 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 598 H CYS A 44 118.071 -6.991 1.278 1.00 1.14 H ATOM 599 HA CYS A 44 116.468 -5.105 -0.166 1.00 1.49 H ATOM 600 HB2 CYS A 44 119.077 -5.731 -0.334 1.00 1.41 H ATOM 601 HB3 CYS A 44 118.457 -6.751 -1.628 1.00 1.58 H 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 611 H GLN A 45 116.079 -8.351 0.460 1.00 1.44 H ATOM 612 HA GLN A 45 115.166 -9.345 -1.987 1.00 1.95 H ATOM 613 HB2 GLN A 45 115.161 -10.167 0.730 1.00 1.89 H ATOM 614 HB3 GLN A 45 113.528 -10.350 0.125 1.00 1.78 H ATOM 615 HG2 GLN A 45 114.219 -11.840 -1.572 1.00 2.35 H ATOM 616 HG3 GLN A 45 115.923 -11.477 -1.292 1.00 2.58 H ATOM 617 HE21 GLN A 45 116.379 -11.744 1.246 1.00 2.46 H ATOM 618 HE22 GLN A 45 115.935 -13.299 1.854 1.00 2.68 H 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 628 H GLU A 46 113.890 -7.126 0.306 1.00 1.79 H ATOM 629 HA GLU A 46 111.183 -7.236 -0.672 1.00 2.47 H ATOM 630 HB2 GLU A 46 110.740 -5.641 1.041 1.00 2.65 H ATOM 631 HB3 GLU A 46 111.931 -6.763 1.689 1.00 2.44 H ATOM 632 HG2 GLU A 46 113.477 -5.223 1.932 1.00 2.79 H ATOM 633 HG3 GLU A 46 113.109 -4.461 0.396 1.00 2.76 H 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 643 H GLU A 47 114.084 -5.807 -1.665 1.00 2.07 H ATOM 644 HA GLU A 47 112.929 -3.417 -2.837 1.00 2.66 H ATOM 645 HB2 GLU A 47 115.351 -3.697 -2.033 1.00 2.20 H ATOM 646 HB3 GLU A 47 115.617 -4.616 -3.508 1.00 2.44 H ATOM 647 HG2 GLU A 47 114.329 -2.115 -4.104 1.00 3.18 H ATOM 648 HG3 GLU A 47 115.791 -1.850 -3.159 1.00 2.87 H 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 657 H ASN A 48 112.892 -6.656 -3.626 1.00 2.77 H ATOM 658 HA ASN A 48 113.202 -6.517 -6.431 1.00 3.51 H ATOM 659 HB2 ASN A 48 112.912 -8.530 -4.490 1.00 3.82 H ATOM 660 HB3 ASN A 48 111.545 -8.719 -5.582 1.00 3.63 H ATOM 661 HD21 ASN A 48 113.724 -10.514 -5.215 1.00 3.86 H ATOM 662 HD22 ASN A 48 114.539 -10.650 -6.732 1.00 4.50 H 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 675 H TYR A 49 110.658 -5.722 -4.265 1.00 3.53 H ATOM 676 HA TYR A 49 108.596 -5.980 -6.321 1.00 4.68 H ATOM 677 HB2 TYR A 49 108.551 -5.389 -3.401 1.00 4.44 H ATOM 678 HB3 TYR A 49 107.138 -5.079 -4.373 1.00 5.13 H ATOM 679 HD1 TYR A 49 107.448 -7.460 -6.145 1.00 4.96 H ATOM 680 HD2 TYR A 49 107.705 -7.054 -1.958 1.00 5.44 H ATOM 681 HE1 TYR A 49 106.751 -9.821 -5.903 1.00 5.83 H ATOM 682 HE2 TYR A 49 107.020 -9.399 -1.665 1.00 6.30 H ATOM 683 HH TYR A 49 105.796 -11.127 -2.916 1.00 6.80 H 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 692 H LEU A 50 110.317 -3.552 -4.544 1.00 4.74 H ATOM 693 HA LEU A 50 109.006 -1.484 -6.105 1.00 5.71 H ATOM 694 HB2 LEU A 50 109.173 -1.724 -3.356 1.00 5.90 H ATOM 695 HB3 LEU A 50 110.388 -0.524 -3.745 1.00 5.77 H ATOM 696 HG LEU A 50 108.769 0.935 -4.717 1.00 6.65 H ATOM 697 HD11 LEU A 50 107.259 -0.267 -5.944 1.00 7.12 H ATOM 698 HD12 LEU A 50 106.281 0.098 -4.524 1.00 7.36 H ATOM 699 HD13 LEU A 50 107.038 -1.486 -4.687 1.00 7.15 H ATOM 700 HD21 LEU A 50 107.296 -0.099 -2.333 1.00 6.92 H ATOM 701 HD22 LEU A 50 107.612 1.565 -2.822 1.00 7.37 H ATOM 702 HD23 LEU A 50 108.912 0.584 -2.147 1.00 7.10 H 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 710 HA PRO A 51 113.247 -1.336 -7.713 1.00 6.15 H ATOM 711 HB2 PRO A 51 111.871 -0.045 -9.961 1.00 7.37 H ATOM 712 HB3 PRO A 51 112.964 -1.439 -9.973 1.00 7.48 H ATOM 713 HG2 PRO A 51 110.392 -1.846 -10.348 1.00 7.95 H ATOM 714 HG3 PRO A 51 111.306 -2.892 -9.230 1.00 7.28 H ATOM 715 HD2 PRO A 51 109.622 -0.487 -8.537 1.00 6.89 H ATOM 716 HD3 PRO A 51 109.470 -2.153 -7.917 1.00 6.33 H 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 723 H SER A 52 110.937 1.020 -7.410 1.00 6.21 H ATOM 724 HA SER A 52 111.682 3.407 -8.191 1.00 6.65 H ATOM 725 HB2 SER A 52 110.676 2.572 -5.504 1.00 6.64 H ATOM 726 HB3 SER A 52 111.083 4.266 -5.782 1.00 6.78 H ATOM 727 HG SER A 52 109.019 4.161 -6.409 1.00 7.24 H 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 735 HA PRO A 53 116.036 3.692 -6.955 1.00 5.77 H ATOM 736 HB2 PRO A 53 116.340 6.184 -8.135 1.00 6.13 H ATOM 737 HB3 PRO A 53 116.605 4.644 -8.956 1.00 6.78 H ATOM 738 HG2 PRO A 53 114.224 6.440 -9.018 1.00 6.69 H ATOM 739 HG3 PRO A 53 114.949 5.488 -10.326 1.00 7.39 H ATOM 740 HD2 PRO A 53 112.704 4.702 -9.076 1.00 6.46 H ATOM 741 HD3 PRO A 53 113.914 3.533 -9.646 1.00 7.07 H 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 748 H CYS A 54 115.949 4.014 -4.805 1.00 4.51 H ATOM 749 HA CYS A 54 114.890 6.576 -3.818 1.00 4.01 H ATOM 750 HB2 CYS A 54 115.272 5.021 -1.582 1.00 4.61 H ATOM 751 HB3 CYS A 54 113.754 5.221 -2.440 1.00 4.39 H 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 761 H GLN A 55 115.992 7.818 -2.357 1.00 2.80 H ATOM 762 HA GLN A 55 118.463 8.610 -2.563 1.00 3.37 H ATOM 763 HB2 GLN A 55 116.959 9.462 -0.836 1.00 3.50 H ATOM 764 HB3 GLN A 55 117.200 8.001 0.111 1.00 2.72 H ATOM 765 HG2 GLN A 55 119.764 8.938 -0.283 1.00 3.82 H ATOM 766 HG3 GLN A 55 118.812 10.404 -0.046 1.00 3.89 H ATOM 767 HE21 GLN A 55 120.757 9.563 1.759 1.00 4.89 H ATOM 768 HE22 GLN A 55 119.986 9.118 3.239 1.00 5.61 H 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 775 H SER A 56 120.535 8.019 -2.237 1.00 3.34 H ATOM 776 HA SER A 56 121.008 5.399 -0.976 1.00 3.48 H ATOM 777 HB2 SER A 56 122.506 6.511 -3.362 1.00 4.10 H ATOM 778 HB3 SER A 56 122.726 4.922 -2.617 1.00 4.48 H ATOM 779 HG SER A 56 120.695 4.334 -3.319 1.00 4.99 H 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 784 H GLY A 57 123.588 5.206 -0.640 1.00 2.69 H ATOM 785 HA2 GLY A 57 124.410 7.841 0.498 1.00 3.06 H ATOM 786 HA3 GLY A 57 124.548 6.356 1.438 1.00 2.96 H 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 796 H GLN A 58 125.180 6.916 -1.991 1.00 2.87 H ATOM 797 HA GLN A 58 127.748 5.664 -1.612 1.00 2.52 H ATOM 798 HB2 GLN A 58 125.917 6.187 -3.871 1.00 3.23 H ATOM 799 HB3 GLN A 58 127.602 5.835 -4.182 1.00 2.89 H ATOM 800 HG2 GLN A 58 126.128 4.074 -2.321 1.00 3.51 H ATOM 801 HG3 GLN A 58 125.805 3.949 -4.032 1.00 3.98 H ATOM 802 HE21 GLN A 58 127.466 3.289 -5.446 1.00 4.39 H ATOM 803 HE22 GLN A 58 128.847 2.433 -4.856 1.00 4.55 H 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 813 H LYS A 59 128.790 7.560 -0.607 1.00 1.74 H ATOM 814 HA LYS A 59 129.180 9.894 -2.126 1.00 1.52 H ATOM 815 HB2 LYS A 59 131.080 10.056 -0.213 1.00 1.90 H ATOM 816 HB3 LYS A 59 129.409 10.521 -0.017 1.00 1.90 H ATOM 817 HG2 LYS A 59 129.660 7.764 0.630 1.00 1.82 H ATOM 818 HG3 LYS A 59 130.834 8.717 1.536 1.00 2.10 H ATOM 819 HD2 LYS A 59 129.234 9.900 2.650 1.00 2.17 H ATOM 820 HD3 LYS A 59 128.072 9.787 1.334 1.00 2.46 H ATOM 821 HE2 LYS A 59 127.526 8.510 3.459 1.00 2.74 H ATOM 822 HE3 LYS A 59 127.413 7.599 1.942 1.00 2.41 H ATOM 823 HZ1 LYS A 59 129.858 7.592 3.634 1.00 3.49 H ATOM 824 HZ2 LYS A 59 129.429 6.509 2.408 1.00 3.38 H ATOM 825 HZ3 LYS A 59 128.594 6.493 3.878 1.00 3.38 H 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 833 HA PRO A 60 131.957 7.834 -4.964 1.00 1.30 H ATOM 834 HB2 PRO A 60 132.863 10.676 -5.168 1.00 1.60 H ATOM 835 HB3 PRO A 60 132.569 9.505 -6.458 1.00 1.62 H ATOM 836 HG2 PRO A 60 130.782 11.415 -5.824 1.00 1.79 H ATOM 837 HG3 PRO A 60 130.293 9.814 -6.404 1.00 1.68 H ATOM 838 HD2 PRO A 60 130.028 10.990 -3.727 1.00 1.64 H ATOM 839 HD3 PRO A 60 129.187 9.605 -4.440 1.00 1.57 H 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 846 H CYS A 61 134.099 7.385 -5.268 1.00 1.29 H ATOM 847 HA CYS A 61 136.167 8.536 -3.732 1.00 1.26 H ATOM 848 HB2 CYS A 61 136.666 5.981 -2.916 1.00 1.26 H ATOM 849 HB3 CYS A 61 135.983 7.242 -1.898 1.00 1.14 H 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 854 H GLY A 62 138.238 7.715 -4.279 1.00 1.41 H ATOM 855 HA2 GLY A 62 138.421 6.995 -7.005 1.00 1.67 H ATOM 856 HA3 GLY A 62 139.762 7.223 -5.903 1.00 1.69 H 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 863 H SER A 63 137.612 4.982 -4.599 1.00 1.31 H ATOM 864 HA SER A 63 139.400 2.862 -5.324 1.00 1.59 H ATOM 865 HB2 SER A 63 138.770 3.302 -2.921 1.00 1.33 H ATOM 866 HB3 SER A 63 137.151 2.735 -3.325 1.00 1.19 H ATOM 867 HG SER A 63 137.980 0.863 -2.824 1.00 1.66 H 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 872 H GLY A 64 137.813 3.672 -7.408 1.00 1.69 H ATOM 873 HA2 GLY A 64 136.526 2.801 -9.082 1.00 1.83 H ATOM 874 HA3 GLY A 64 136.725 1.271 -8.282 1.00 1.77 H 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 879 H GLY A 65 135.094 4.165 -7.147 1.00 1.43 H ATOM 880 HA2 GLY A 65 132.510 3.713 -7.721 1.00 1.48 H ATOM 881 HA3 GLY A 65 132.805 2.594 -6.430 1.00 1.32 H 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 893 H ARG A 66 131.322 3.576 -5.115 1.00 1.19 H ATOM 894 HA ARG A 66 132.152 6.141 -4.058 1.00 1.10 H ATOM 895 HB2 ARG A 66 129.358 5.325 -3.618 1.00 1.18 H ATOM 896 HB3 ARG A 66 130.045 6.925 -3.872 1.00 1.24 H ATOM 897 HG2 ARG A 66 129.607 4.840 -6.006 1.00 1.39 H ATOM 898 HG3 ARG A 66 128.578 6.245 -5.714 1.00 1.49 H ATOM 899 HD2 ARG A 66 130.693 7.624 -6.039 1.00 1.44 H ATOM 900 HD3 ARG A 66 131.400 6.167 -6.709 1.00 1.40 H ATOM 901 HE ARG A 66 128.915 7.271 -7.826 1.00 1.72 H ATOM 902 HH11 ARG A 66 132.254 6.312 -8.253 1.00 2.73 H ATOM 903 HH12 ARG A 66 132.165 6.355 -9.980 1.00 3.40 H ATOM 904 HH21 ARG A 66 128.812 7.306 -10.092 1.00 2.03 H ATOM 905 HH22 ARG A 66 130.222 6.917 -11.020 1.00 2.76 H 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 912 H CYS A 67 131.763 6.442 -1.792 1.00 1.00 H ATOM 913 HA CYS A 67 132.403 4.187 -0.224 1.00 0.81 H ATOM 914 HB2 CYS A 67 132.980 6.585 0.285 1.00 0.99 H ATOM 915 HB3 CYS A 67 131.327 6.812 0.775 1.00 1.11 H 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 921 H ALA A 68 131.159 3.348 1.545 1.00 0.80 H ATOM 922 HA ALA A 68 128.256 3.457 1.246 1.00 1.02 H ATOM 923 HB1 ALA A 68 130.015 1.132 0.467 1.00 1.38 H ATOM 924 HB2 ALA A 68 128.692 1.886 -0.439 1.00 1.24 H ATOM 925 HB3 ALA A 68 128.322 0.889 0.965 1.00 1.32 H 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 931 H ALA A 69 129.675 0.624 2.440 1.00 0.76 H ATOM 932 HA ALA A 69 128.595 0.830 5.028 1.00 0.91 H ATOM 933 HB1 ALA A 69 129.914 -1.349 5.321 1.00 1.34 H ATOM 934 HB2 ALA A 69 130.258 -1.187 3.601 1.00 1.32 H ATOM 935 HB3 ALA A 69 128.590 -1.325 4.157 1.00 1.39 H 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 941 H ALA A 70 130.350 -0.346 6.801 1.00 1.04 H ATOM 942 HA ALA A 70 131.757 1.667 7.983 1.00 1.18 H ATOM 943 HB1 ALA A 70 131.916 -1.200 8.134 1.00 1.67 H ATOM 944 HB2 ALA A 70 132.350 -0.003 9.356 1.00 1.63 H ATOM 945 HB3 ALA A 70 133.558 -0.523 8.158 1.00 1.68 H 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 950 H GLY A 71 132.436 2.904 5.999 1.00 1.15 H ATOM 951 HA2 GLY A 71 134.067 3.571 4.561 1.00 0.97 H ATOM 952 HA3 GLY A 71 135.187 2.654 5.563 1.00 1.08 H 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 961 H ILE A 72 132.849 2.381 3.018 1.00 0.81 H ATOM 962 HA ILE A 72 134.364 0.295 1.786 1.00 0.82 H ATOM 963 HB ILE A 72 131.571 -0.056 2.768 1.00 0.74 H ATOM 964 HG12 ILE A 72 133.830 -1.101 3.632 1.00 0.93 H ATOM 965 HG13 ILE A 72 132.326 -2.012 3.649 1.00 0.92 H ATOM 966 HG21 ILE A 72 131.082 -0.366 0.498 1.00 1.21 H ATOM 967 HG22 ILE A 72 131.360 -1.991 1.128 1.00 1.26 H ATOM 968 HG23 ILE A 72 132.619 -1.185 0.195 1.00 1.32 H ATOM 969 HD11 ILE A 72 133.255 -3.605 2.437 1.00 1.47 H ATOM 970 HD12 ILE A 72 134.777 -2.715 2.450 1.00 1.33 H ATOM 971 HD13 ILE A 72 133.604 -2.456 1.145 1.00 1.48 H 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 978 H CYS A 73 134.629 0.852 -0.195 1.00 0.81 H ATOM 979 HA CYS A 73 132.842 2.721 -1.405 1.00 0.76 H ATOM 980 HB2 CYS A 73 135.296 3.284 -1.210 1.00 0.83 H ATOM 981 HB3 CYS A 73 135.655 1.962 -2.299 1.00 0.91 H 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 988 H CYS A 74 131.223 1.597 -2.312 1.00 0.84 H ATOM 989 HA CYS A 74 131.792 -0.981 -3.471 1.00 1.01 H ATOM 990 HB2 CYS A 74 129.721 -0.329 -2.014 1.00 0.88 H ATOM 991 HB3 CYS A 74 129.057 0.199 -3.564 1.00 1.04 H 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 998 H SER A 75 131.121 -1.703 -5.444 1.00 1.26 H ATOM 999 HA SER A 75 131.048 0.301 -7.532 1.00 1.48 H ATOM 1000 HB2 SER A 75 132.211 -2.415 -7.986 1.00 1.61 H ATOM 1001 HB3 SER A 75 132.578 -0.904 -8.812 1.00 1.68 H ATOM 1002 HG SER A 75 133.788 -0.253 -7.087 1.00 1.65 H 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 1010 HA PRO A 76 127.605 -1.775 -9.413 1.00 1.86 H ATOM 1011 HB2 PRO A 76 128.952 -2.444 -11.918 1.00 2.20 H ATOM 1012 HB3 PRO A 76 127.688 -1.247 -11.623 1.00 2.19 H ATOM 1013 HG2 PRO A 76 130.226 -0.552 -12.226 1.00 2.18 H ATOM 1014 HG3 PRO A 76 129.204 0.425 -11.156 1.00 2.06 H ATOM 1015 HD2 PRO A 76 131.370 -1.523 -10.451 1.00 1.93 H ATOM 1016 HD3 PRO A 76 131.019 0.075 -9.754 1.00 1.80 H 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 1025 H ASP A 77 130.516 -3.520 -9.135 1.00 1.82 H ATOM 1026 HA ASP A 77 129.170 -6.067 -9.760 1.00 2.05 H ATOM 1027 HB2 ASP A 77 131.789 -5.076 -10.355 1.00 2.08 H ATOM 1028 HB3 ASP A 77 131.943 -6.489 -9.316 1.00 2.05 H 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 1033 H GLY A 78 130.891 -4.302 -7.246 1.00 1.60 H ATOM 1034 HA2 GLY A 78 129.692 -5.656 -5.150 1.00 1.44 H ATOM 1035 HA3 GLY A 78 131.230 -6.429 -5.456 1.00 1.57 H 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 1042 H CYS A 79 130.867 -5.341 -3.004 1.00 1.25 H ATOM 1043 HA CYS A 79 132.095 -2.693 -3.081 1.00 1.08 H ATOM 1044 HB2 CYS A 79 131.194 -4.183 -0.643 1.00 1.03 H ATOM 1045 HB3 CYS A 79 131.481 -2.465 -0.791 1.00 0.90 H 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 1055 H GLU A 80 133.827 -2.190 -1.530 1.00 1.00 H ATOM 1056 HA GLU A 80 135.395 -4.389 -0.575 1.00 1.32 H ATOM 1057 HB2 GLU A 80 137.425 -3.864 -1.767 1.00 1.47 H ATOM 1058 HB3 GLU A 80 136.136 -4.164 -2.925 1.00 1.45 H ATOM 1059 HG2 GLU A 80 136.542 -2.220 -3.874 1.00 1.36 H ATOM 1060 HG3 GLU A 80 136.118 -1.401 -2.372 1.00 1.15 H 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 1070 H GLU A 81 136.855 -3.755 1.104 1.00 1.32 H ATOM 1071 HA GLU A 81 136.099 -1.516 2.538 1.00 1.06 H ATOM 1072 HB2 GLU A 81 138.288 -2.021 3.811 1.00 1.37 H ATOM 1073 HB3 GLU A 81 137.014 -3.219 3.808 1.00 1.34 H ATOM 1074 HG2 GLU A 81 138.536 -3.869 1.611 1.00 1.77 H ATOM 1075 HG3 GLU A 81 139.675 -3.400 2.850 1.00 1.70 H 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 1084 H ASP A 82 136.391 0.502 1.908 1.00 0.94 H ATOM 1085 HA ASP A 82 138.709 1.256 0.392 1.00 1.12 H ATOM 1086 HB2 ASP A 82 137.504 3.468 0.202 1.00 1.10 H ATOM 1087 HB3 ASP A 82 136.670 2.078 -0.484 1.00 1.05 H 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 1095 HA PRO A 83 140.946 2.522 4.060 1.00 1.33 H ATOM 1096 HB2 PRO A 83 142.677 3.697 1.972 1.00 1.41 H ATOM 1097 HB3 PRO A 83 143.108 2.552 3.252 1.00 1.54 H ATOM 1098 HG2 PRO A 83 142.929 1.797 0.702 1.00 1.50 H ATOM 1099 HG3 PRO A 83 142.362 0.729 2.005 1.00 1.49 H ATOM 1100 HD2 PRO A 83 140.797 2.494 0.179 1.00 1.24 H ATOM 1101 HD3 PRO A 83 140.405 0.868 0.760 1.00 1.27 H 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 1107 H ALA A 84 139.669 4.321 1.574 1.00 1.12 H ATOM 1108 HA ALA A 84 140.344 6.915 2.477 1.00 1.30 H ATOM 1109 HB1 ALA A 84 140.000 6.962 0.253 1.00 1.57 H ATOM 1110 HB2 ALA A 84 138.321 7.226 0.748 1.00 1.46 H ATOM 1111 HB3 ALA A 84 138.880 5.600 0.345 1.00 1.60 H 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 1118 H CYS A 85 138.020 4.660 3.364 1.00 1.02 H ATOM 1119 HA CYS A 85 136.375 6.773 4.432 1.00 1.16 H ATOM 1120 HB2 CYS A 85 135.586 4.587 2.770 1.00 0.94 H ATOM 1121 HB3 CYS A 85 134.638 4.683 4.230 1.00 1.19 H 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 1130 H ASP A 86 137.845 3.720 5.683 1.00 1.18 H ATOM 1131 HA ASP A 86 137.258 4.468 8.325 1.00 1.46 H ATOM 1132 HB2 ASP A 86 134.915 4.285 7.352 1.00 1.25 H ATOM 1133 HB3 ASP A 86 135.183 2.548 7.399 1.00 1.25 H 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 1141 HA PRO A 87 138.072 -0.177 8.720 1.00 1.63 H ATOM 1142 HB2 PRO A 87 138.134 -1.636 6.364 1.00 1.48 H ATOM 1143 HB3 PRO A 87 136.731 -1.409 7.380 1.00 1.46 H ATOM 1144 HG2 PRO A 87 137.020 -0.454 4.781 1.00 1.18 H ATOM 1145 HG3 PRO A 87 135.839 0.074 5.983 1.00 1.18 H ATOM 1146 HD2 PRO A 87 138.500 1.291 5.336 1.00 1.27 H ATOM 1147 HD3 PRO A 87 136.971 2.119 5.543 1.00 1.14 H 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 1157 H GLU A 88 139.289 -0.268 5.500 1.00 1.43 H ATOM 1158 HA GLU A 88 141.922 -1.019 6.260 1.00 1.80 H ATOM 1159 HB2 GLU A 88 140.645 -1.546 3.995 1.00 1.56 H ATOM 1160 HB3 GLU A 88 141.197 0.073 3.560 1.00 1.46 H ATOM 1161 HG2 GLU A 88 143.345 -0.559 3.277 1.00 1.83 H ATOM 1162 HG3 GLU A 88 143.290 -1.743 4.581 1.00 1.96 H 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 1168 H ALA A 89 140.191 1.699 6.304 1.00 1.49 H ATOM 1169 HA ALA A 89 142.003 3.673 5.523 1.00 1.53 H ATOM 1170 HB1 ALA A 89 139.459 3.639 5.641 1.00 1.66 H ATOM 1171 HB2 ALA A 89 140.324 5.136 6.011 1.00 1.80 H ATOM 1172 HB3 ALA A 89 139.704 4.123 7.318 1.00 1.72 H 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 1178 H ALA A 90 141.580 5.491 7.583 1.00 1.70 H ATOM 1179 HA ALA A 90 143.700 4.989 9.362 1.00 2.07 H ATOM 1180 HB1 ALA A 90 142.978 7.254 8.614 1.00 2.37 H ATOM 1181 HB2 ALA A 90 143.097 7.101 10.369 1.00 2.29 H ATOM 1182 HB3 ALA A 90 141.507 7.043 9.586 1.00 2.18 H 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 1194 H PHE A 91 142.907 5.677 11.863 1.00 2.37 H ATOM 1195 HA PHE A 91 141.429 3.356 12.714 1.00 2.41 H ATOM 1196 HB2 PHE A 91 142.796 5.657 14.031 1.00 3.00 H ATOM 1197 HB3 PHE A 91 141.492 4.899 14.935 1.00 2.70 H ATOM 1198 HD1 PHE A 91 141.660 2.483 15.533 1.00 3.69 H ATOM 1199 HD2 PHE A 91 144.903 4.634 13.809 1.00 3.93 H ATOM 1200 HE1 PHE A 91 143.222 0.748 16.313 1.00 5.02 H ATOM 1201 HE2 PHE A 91 146.469 2.904 14.588 1.00 5.27 H ATOM 1202 HZ PHE A 91 145.630 0.959 15.843 1.00 5.61 H 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 1210 H SER A 92 139.786 4.219 11.056 1.00 2.10 H ATOM 1211 HA SER A 92 137.897 6.113 12.228 1.00 2.30 H ATOM 1212 HB2 SER A 92 138.309 6.902 10.101 1.00 2.07 H ATOM 1213 HB3 SER A 92 138.604 5.283 9.424 1.00 1.83 H ATOM 1214 HG SER A 92 136.183 6.645 9.874 1.00 2.26 H 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 MASTER 112 0 0 1 8 0 0 6 1214 1 14 8 END