HEADER LEUCINE ZIPPER 15-APR-98 1A93 TITLE NMR SOLUTION STRUCTURE OF THE C-MYC-MAX HETERODIMERIC TITLE 2 LEUCINE ZIPPER, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: MYC PROTO-ONCOGENE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: HETERODIMERIC LEUCINE ZIPPER; COMPND 5 SYNONYM: COILED COIL, LZ; COMPND 6 ENGINEERED: YES; COMPND 7 OTHER_DETAILS: BOTH C-MYC (CHAIN A) AND MAX (CHAIN B) HAVE COMPND 8 A NON-BIOLOGICAL CGG LINKER AT THE N-TERMINUS OF THE COMPND 9 PROTEIN; COMPND 10 MOL_ID: 2; COMPND 11 MOLECULE: MAX PROTEIN; COMPND 12 CHAIN: B; COMPND 13 FRAGMENT: HETERODIMERIC LEUCINE ZIPPER; COMPND 14 SYNONYM: COILED COIL, LZ; COMPND 15 ENGINEERED: YES; COMPND 16 OTHER_DETAILS: BOTH C-MYC (CHAIN A) AND MAX (CHAIN B) HAVE COMPND 17 A NON-BIOLOGICAL CGG LINKER AT THE N-TERMINUS OF THE COMPND 18 PROTEIN SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 MOL_ID: 2; SOURCE 6 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 7 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 8 ORGANISM_TAXID: 10090 KEYWDS LEUCINE ZIPPER, 2D NMR, SOLUTION STRUCTURE, H-BONDS, BURIED KEYWDS 2 SALT BRIDGE, PROTO-ONCOGENE, NUCLEAR PROTEIN EXPDTA SOLUTION NMR AUTHOR P.LAVIGNE,M.P.CRUMP,S.M.GAGNE,R.S.HODGES,C.M.KAY,B.D.SYKES REVDAT 3 24-FEB-09 1A93 1 VERSN REVDAT 2 18-NOV-98 1A93 2 SOURCE COMPND REMARK TITLE REVDAT 2 2 2 DBREF SEQADV JRNL EXPDTA REVDAT 2 3 2 KEYWDS HEADER CONECT SLTBRG REVDAT 1 21-OCT-98 1A93 0 JRNL AUTH P.LAVIGNE,M.P.CRUMP,S.M.GAGNE,R.S.HODGES,C.M.KAY, JRNL AUTH 2 B.D.SYKES JRNL TITL INSIGHTS INTO THE MECHANISM OF HETERODIMERIZATION JRNL TITL 2 FROM THE 1H-NMR SOLUTION STRUCTURE OF THE JRNL TITL 3 C-MYC-MAX HETERODIMERIC LEUCINE ZIPPER. JRNL REF J.MOL.BIOL. V. 281 165 1998 JRNL REFN ISSN 0022-2836 JRNL PMID 9680483 JRNL DOI 10.1006/JMBI.1998.1914 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 1A93 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 4.8 REMARK 210 IONIC STRENGTH : 10MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : WATER REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : VXR-500, UNITY 600 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION ONLY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING 1H 2D NMR REMARK 210 SPECTROSCOPY 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: 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 ILE B 17 -74.01 -62.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 35 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 B 35 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2A93 RELATED DB: PDB DBREF 1A93 A 6 34 UNP P01106 MYC_HUMAN 406 434 DBREF 1A93 B 6 34 UNP P28574 MAX_MOUSE 74 102 SEQRES 1 A 34 ACE CYS GLY GLY VAL GLN ALA GLU GLU GLN LYS LEU ILE SEQRES 2 A 34 SER GLU GLU ASP LEU LEU ARG LYS ARG ARG GLU GLN LEU SEQRES 3 A 34 LYS HIS LYS LEU GLU GLN LEU NH2 SEQRES 1 B 34 ACE CYS GLY GLY MET ARG ARG LYS ASN ASP THR HIS GLN SEQRES 2 B 34 GLN ASP ILE ASP ASP LEU LYS ARG GLN ASN ALA LEU LEU SEQRES 3 B 34 GLU GLN GLN VAL ARG ALA LEU NH2 HET ACE A 2 6 HET NH2 A 35 3 HET ACE B 2 6 HET NH2 B 35 3 HETNAM ACE ACETYL GROUP HETNAM NH2 AMINO GROUP FORMUL 1 ACE 2(C2 H4 O) FORMUL 1 NH2 2(H2 N) HELIX 1 1 VAL A 6 GLU A 32 1 27 HELIX 2 2 MET B 6 ARG B 32 1 27 SSBOND 1 CYS A 3 CYS B 3 1555 1555 2.02 LINK C ACE A 2 N CYS A 3 1555 1555 1.33 LINK N NH2 A 35 C LEU A 34 1555 1555 1.31 LINK C ACE B 2 N CYS B 3 1555 1555 1.33 LINK N NH2 B 35 C LEU B 34 1555 1555 1.31 SITE 1 AC3 1 LEU A 34 SITE 1 AC4 1 LEU B 34 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 HETATM 1 C ACE A 2 37.035 1.681 -5.527 1.00 5.51 C HETATM 2 O ACE A 2 36.222 2.405 -6.102 1.00 5.49 O HETATM 3 CH3 ACE A 2 36.705 0.227 -5.205 1.00 6.50 C HETATM 4 H1 ACE A 2 37.585 -0.264 -4.817 1.00 6.80 H HETATM 5 H2 ACE A 2 36.379 -0.275 -6.104 1.00 6.77 H HETATM 6 H3 ACE A 2 35.918 0.192 -4.466 1.00 6.93 H ATOM 7 N CYS A 3 38.240 2.099 -5.150 1.00 5.05 N ATOM 8 CA CYS A 3 38.673 3.471 -5.402 1.00 4.41 C ATOM 9 C CYS A 3 39.052 3.647 -6.869 1.00 4.23 C ATOM 10 O CYS A 3 39.919 2.945 -7.390 1.00 4.59 O ATOM 11 CB CYS A 3 39.880 3.821 -4.530 1.00 4.15 C ATOM 12 SG CYS A 3 39.450 3.592 -2.787 1.00 4.20 S ATOM 13 H CYS A 3 38.846 1.478 -4.695 1.00 5.43 H ATOM 14 HA CYS A 3 37.863 4.144 -5.165 1.00 4.68 H ATOM 15 HB2 CYS A 3 40.707 3.175 -4.784 1.00 4.37 H ATOM 16 HB3 CYS A 3 40.160 4.850 -4.700 1.00 4.24 H ATOM 17 N GLY A 4 38.392 4.595 -7.528 1.00 4.02 N ATOM 18 CA GLY A 4 38.666 4.861 -8.937 1.00 4.00 C ATOM 19 C GLY A 4 39.468 6.147 -9.099 1.00 3.54 C ATOM 20 O GLY A 4 40.471 6.185 -9.812 1.00 3.77 O ATOM 21 H GLY A 4 37.712 5.124 -7.060 1.00 4.14 H ATOM 22 HA2 GLY A 4 39.226 4.036 -9.352 1.00 4.34 H ATOM 23 HA3 GLY A 4 37.731 4.960 -9.469 1.00 4.26 H ATOM 24 N GLY A 5 39.016 7.201 -8.426 1.00 3.35 N ATOM 25 CA GLY A 5 39.698 8.490 -8.498 1.00 3.10 C ATOM 26 C GLY A 5 39.772 9.140 -7.121 1.00 2.76 C ATOM 27 O GLY A 5 39.711 10.362 -6.992 1.00 2.70 O ATOM 28 H GLY A 5 38.212 7.111 -7.872 1.00 3.68 H ATOM 29 HA2 GLY A 5 40.700 8.340 -8.877 1.00 3.31 H ATOM 30 HA3 GLY A 5 39.158 9.141 -9.168 1.00 3.18 H ATOM 31 N VAL A 6 39.903 8.306 -6.093 1.00 2.58 N ATOM 32 CA VAL A 6 39.984 8.808 -4.724 1.00 2.27 C ATOM 33 C VAL A 6 41.330 9.486 -4.486 1.00 2.12 C ATOM 34 O VAL A 6 41.404 10.559 -3.887 1.00 1.92 O ATOM 35 CB VAL A 6 39.816 7.664 -3.720 1.00 2.23 C ATOM 36 CG1 VAL A 6 39.702 8.236 -2.305 1.00 2.28 C ATOM 37 CG2 VAL A 6 38.547 6.874 -4.051 1.00 2.62 C ATOM 38 H VAL A 6 39.946 7.341 -6.257 1.00 2.69 H ATOM 39 HA VAL A 6 39.196 9.529 -4.567 1.00 2.24 H ATOM 40 HB VAL A 6 40.674 7.009 -3.774 1.00 2.55 H ATOM 41 HG11 VAL A 6 39.046 9.094 -2.316 1.00 2.59 H ATOM 42 HG12 VAL A 6 39.298 7.483 -1.644 1.00 2.65 H ATOM 43 HG13 VAL A 6 40.679 8.535 -1.958 1.00 2.51 H ATOM 44 HG21 VAL A 6 37.699 7.544 -4.063 1.00 2.87 H ATOM 45 HG22 VAL A 6 38.654 6.411 -5.021 1.00 3.09 H ATOM 46 HG23 VAL A 6 38.392 6.111 -3.302 1.00 2.92 H ATOM 47 N GLN A 7 42.394 8.845 -4.962 1.00 2.27 N ATOM 48 CA GLN A 7 43.738 9.393 -4.798 1.00 2.23 C ATOM 49 C GLN A 7 43.865 10.723 -5.534 1.00 2.26 C ATOM 50 O GLN A 7 44.421 11.688 -5.010 1.00 2.18 O ATOM 51 CB GLN A 7 44.784 8.420 -5.345 1.00 2.46 C ATOM 52 CG GLN A 7 44.972 7.265 -4.359 1.00 2.73 C ATOM 53 CD GLN A 7 46.291 6.557 -4.650 1.00 3.10 C ATOM 54 OE1 GLN A 7 47.256 7.183 -5.087 1.00 3.31 O ATOM 55 NE2 GLN A 7 46.390 5.274 -4.432 1.00 3.74 N ATOM 56 H GLN A 7 42.275 7.993 -5.431 1.00 2.44 H ATOM 57 HA GLN A 7 43.926 9.553 -3.747 1.00 2.08 H ATOM 58 HB2 GLN A 7 44.451 8.032 -6.297 1.00 2.52 H ATOM 59 HB3 GLN A 7 45.723 8.936 -5.475 1.00 2.80 H ATOM 60 HG2 GLN A 7 44.984 7.651 -3.350 1.00 3.13 H ATOM 61 HG3 GLN A 7 44.158 6.564 -4.466 1.00 2.92 H ATOM 62 HE21 GLN A 7 45.622 4.775 -4.085 1.00 4.03 H ATOM 63 HE22 GLN A 7 47.234 4.809 -4.616 1.00 4.18 H ATOM 64 N ALA A 8 43.341 10.762 -6.756 1.00 2.45 N ATOM 65 CA ALA A 8 43.400 11.979 -7.561 1.00 2.57 C ATOM 66 C ALA A 8 42.637 13.108 -6.875 1.00 2.38 C ATOM 67 O ALA A 8 43.124 14.234 -6.774 1.00 2.37 O ATOM 68 CB ALA A 8 42.793 11.737 -8.944 1.00 2.88 C ATOM 69 H ALA A 8 42.910 9.962 -7.122 1.00 2.55 H ATOM 70 HA ALA A 8 44.432 12.273 -7.679 1.00 2.62 H ATOM 71 HB1 ALA A 8 41.933 11.090 -8.851 1.00 3.23 H ATOM 72 HB2 ALA A 8 42.489 12.680 -9.374 1.00 3.04 H ATOM 73 HB3 ALA A 8 43.528 11.270 -9.583 1.00 3.12 H ATOM 74 N GLU A 9 41.434 12.792 -6.403 1.00 2.27 N ATOM 75 CA GLU A 9 40.607 13.787 -5.726 1.00 2.11 C ATOM 76 C GLU A 9 41.242 14.192 -4.400 1.00 1.81 C ATOM 77 O GLU A 9 41.231 15.364 -4.022 1.00 1.74 O ATOM 78 CB GLU A 9 39.208 13.228 -5.458 1.00 2.12 C ATOM 79 CG GLU A 9 38.300 13.531 -6.651 1.00 2.44 C ATOM 80 CD GLU A 9 36.856 13.204 -6.288 1.00 2.84 C ATOM 81 OE1 GLU A 9 36.201 14.059 -5.714 1.00 3.33 O ATOM 82 OE2 GLU A 9 36.424 12.103 -6.588 1.00 3.23 O ATOM 83 H GLU A 9 41.098 11.878 -6.512 1.00 2.32 H ATOM 84 HA GLU A 9 40.520 14.659 -6.355 1.00 2.26 H ATOM 85 HB2 GLU A 9 39.270 12.159 -5.313 1.00 2.37 H ATOM 86 HB3 GLU A 9 38.800 13.689 -4.571 1.00 2.11 H ATOM 87 HG2 GLU A 9 38.379 14.577 -6.907 1.00 2.72 H ATOM 88 HG3 GLU A 9 38.602 12.929 -7.495 1.00 2.79 H ATOM 89 N GLU A 10 41.797 13.208 -3.698 1.00 1.70 N ATOM 90 CA GLU A 10 42.438 13.470 -2.412 1.00 1.49 C ATOM 91 C GLU A 10 43.713 14.284 -2.610 1.00 1.61 C ATOM 92 O GLU A 10 43.997 15.214 -1.855 1.00 1.53 O ATOM 93 CB GLU A 10 42.789 12.156 -1.710 1.00 1.48 C ATOM 94 CG GLU A 10 42.961 12.409 -0.211 1.00 1.37 C ATOM 95 CD GLU A 10 43.621 11.197 0.437 1.00 1.59 C ATOM 96 OE1 GLU A 10 44.823 11.051 0.288 1.00 2.07 O ATOM 97 OE2 GLU A 10 42.915 10.431 1.073 1.00 1.98 O ATOM 98 H GLU A 10 41.776 12.293 -4.050 1.00 1.81 H ATOM 99 HA GLU A 10 41.758 14.029 -1.788 1.00 1.34 H ATOM 100 HB2 GLU A 10 41.994 11.442 -1.867 1.00 1.58 H ATOM 101 HB3 GLU A 10 43.710 11.766 -2.116 1.00 1.65 H ATOM 102 HG2 GLU A 10 43.582 13.280 -0.063 1.00 1.47 H ATOM 103 HG3 GLU A 10 41.995 12.574 0.240 1.00 1.43 H ATOM 104 N GLN A 11 44.479 13.921 -3.635 1.00 1.85 N ATOM 105 CA GLN A 11 45.725 14.624 -3.929 1.00 2.04 C ATOM 106 C GLN A 11 45.447 16.085 -4.265 1.00 2.07 C ATOM 107 O GLN A 11 46.245 16.971 -3.957 1.00 2.16 O ATOM 108 CB GLN A 11 46.444 13.969 -5.110 1.00 2.32 C ATOM 109 CG GLN A 11 47.935 14.307 -5.052 1.00 2.66 C ATOM 110 CD GLN A 11 48.713 13.330 -5.928 1.00 3.13 C ATOM 111 OE1 GLN A 11 48.611 12.116 -5.756 1.00 3.57 O ATOM 112 NE2 GLN A 11 49.491 13.793 -6.868 1.00 3.58 N ATOM 113 H GLN A 11 44.202 13.172 -4.203 1.00 1.93 H ATOM 114 HA GLN A 11 46.367 14.578 -3.061 1.00 2.02 H ATOM 115 HB2 GLN A 11 46.315 12.897 -5.061 1.00 2.49 H ATOM 116 HB3 GLN A 11 46.028 14.340 -6.035 1.00 2.54 H ATOM 117 HG2 GLN A 11 48.090 15.314 -5.410 1.00 2.98 H ATOM 118 HG3 GLN A 11 48.283 14.229 -4.033 1.00 2.93 H ATOM 119 HE21 GLN A 11 49.572 14.760 -7.005 1.00 3.72 H ATOM 120 HE22 GLN A 11 49.995 13.174 -7.436 1.00 4.04 H ATOM 121 N LYS A 12 44.305 16.326 -4.902 1.00 2.05 N ATOM 122 CA LYS A 12 43.926 17.685 -5.279 1.00 2.11 C ATOM 123 C LYS A 12 43.415 18.452 -4.064 1.00 1.90 C ATOM 124 O LYS A 12 43.696 19.639 -3.898 1.00 1.95 O ATOM 125 CB LYS A 12 42.832 17.660 -6.349 1.00 2.22 C ATOM 126 CG LYS A 12 42.727 19.038 -7.005 1.00 2.69 C ATOM 127 CD LYS A 12 41.640 19.009 -8.082 1.00 2.95 C ATOM 128 CE LYS A 12 42.107 18.147 -9.256 1.00 3.34 C ATOM 129 NZ LYS A 12 41.458 18.623 -10.510 1.00 3.88 N ATOM 130 H LYS A 12 43.709 15.580 -5.122 1.00 2.03 H ATOM 131 HA LYS A 12 44.792 18.193 -5.677 1.00 2.26 H ATOM 132 HB2 LYS A 12 43.079 16.921 -7.098 1.00 2.26 H ATOM 133 HB3 LYS A 12 41.887 17.408 -5.891 1.00 2.37 H ATOM 134 HG2 LYS A 12 42.473 19.774 -6.256 1.00 3.08 H ATOM 135 HG3 LYS A 12 43.673 19.295 -7.457 1.00 3.04 H ATOM 136 HD2 LYS A 12 40.734 18.593 -7.667 1.00 3.22 H ATOM 137 HD3 LYS A 12 41.451 20.014 -8.428 1.00 3.22 H ATOM 138 HE2 LYS A 12 43.180 18.224 -9.355 1.00 3.49 H ATOM 139 HE3 LYS A 12 41.835 17.117 -9.078 1.00 3.71 H ATOM 140 HZ1 LYS A 12 40.464 18.857 -10.319 1.00 4.26 H ATOM 141 HZ2 LYS A 12 41.954 19.469 -10.858 1.00 4.11 H ATOM 142 HZ3 LYS A 12 41.503 17.874 -11.230 1.00 4.14 H ATOM 143 N LEU A 13 42.661 17.759 -3.216 1.00 1.67 N ATOM 144 CA LEU A 13 42.112 18.382 -2.014 1.00 1.46 C ATOM 145 C LEU A 13 43.237 18.861 -1.101 1.00 1.45 C ATOM 146 O LEU A 13 43.164 19.941 -0.515 1.00 1.45 O ATOM 147 CB LEU A 13 41.238 17.387 -1.247 1.00 1.25 C ATOM 148 CG LEU A 13 39.831 17.375 -1.847 1.00 1.26 C ATOM 149 CD1 LEU A 13 39.086 16.123 -1.379 1.00 1.18 C ATOM 150 CD2 LEU A 13 39.070 18.621 -1.388 1.00 1.16 C ATOM 151 H LEU A 13 42.471 16.815 -3.400 1.00 1.67 H ATOM 152 HA LEU A 13 41.508 19.229 -2.302 1.00 1.48 H ATOM 153 HB2 LEU A 13 41.669 16.399 -1.319 1.00 1.27 H ATOM 154 HB3 LEU A 13 41.182 17.682 -0.210 1.00 1.11 H ATOM 155 HG LEU A 13 39.900 17.370 -2.926 1.00 1.46 H ATOM 156 HD11 LEU A 13 39.696 15.251 -1.565 1.00 1.58 H ATOM 157 HD12 LEU A 13 38.882 16.201 -0.321 1.00 1.40 H ATOM 158 HD13 LEU A 13 38.156 16.034 -1.920 1.00 1.65 H ATOM 159 HD21 LEU A 13 39.467 18.958 -0.443 1.00 1.55 H ATOM 160 HD22 LEU A 13 39.182 19.403 -2.125 1.00 1.48 H ATOM 161 HD23 LEU A 13 38.023 18.382 -1.274 1.00 1.55 H ATOM 162 N ILE A 14 44.280 18.043 -0.989 1.00 1.51 N ATOM 163 CA ILE A 14 45.422 18.389 -0.146 1.00 1.57 C ATOM 164 C ILE A 14 46.143 19.610 -0.710 1.00 1.77 C ATOM 165 O ILE A 14 46.346 20.606 -0.015 1.00 1.79 O ATOM 166 CB ILE A 14 46.405 17.215 -0.067 1.00 1.64 C ATOM 167 CG1 ILE A 14 45.668 15.965 0.424 1.00 1.45 C ATOM 168 CG2 ILE A 14 47.544 17.549 0.906 1.00 1.75 C ATOM 169 CD1 ILE A 14 46.295 14.721 -0.206 1.00 1.51 C ATOM 170 H ILE A 14 44.283 17.195 -1.481 1.00 1.54 H ATOM 171 HA ILE A 14 45.068 18.618 0.848 1.00 1.46 H ATOM 172 HB ILE A 14 46.817 17.027 -1.048 1.00 1.77 H ATOM 173 HG12 ILE A 14 45.745 15.903 1.500 1.00 1.39 H ATOM 174 HG13 ILE A 14 44.628 16.024 0.141 1.00 1.37 H ATOM 175 HG21 ILE A 14 47.621 18.620 1.018 1.00 2.11 H ATOM 176 HG22 ILE A 14 47.342 17.101 1.868 1.00 1.93 H ATOM 177 HG23 ILE A 14 48.474 17.161 0.517 1.00 2.09 H ATOM 178 HD11 ILE A 14 46.761 14.987 -1.143 1.00 1.90 H ATOM 179 HD12 ILE A 14 47.039 14.314 0.463 1.00 1.74 H ATOM 180 HD13 ILE A 14 45.528 13.981 -0.383 1.00 1.85 H ATOM 181 N SER A 15 46.534 19.519 -1.978 1.00 1.95 N ATOM 182 CA SER A 15 47.243 20.618 -2.630 1.00 2.16 C ATOM 183 C SER A 15 46.398 21.890 -2.614 1.00 2.08 C ATOM 184 O SER A 15 46.916 22.993 -2.439 1.00 2.14 O ATOM 185 CB SER A 15 47.572 20.258 -4.078 1.00 2.37 C ATOM 186 OG SER A 15 47.937 18.886 -4.150 1.00 2.67 O ATOM 187 H SER A 15 46.350 18.698 -2.481 1.00 1.96 H ATOM 188 HA SER A 15 48.164 20.801 -2.097 1.00 2.25 H ATOM 189 HB2 SER A 15 46.709 20.428 -4.699 1.00 2.58 H ATOM 190 HB3 SER A 15 48.390 20.877 -4.425 1.00 2.76 H ATOM 191 HG SER A 15 47.475 18.494 -4.895 1.00 3.06 H ATOM 192 N GLU A 16 45.092 21.722 -2.797 1.00 1.97 N ATOM 193 CA GLU A 16 44.181 22.864 -2.800 1.00 1.90 C ATOM 194 C GLU A 16 44.067 23.452 -1.398 1.00 1.78 C ATOM 195 O GLU A 16 44.035 24.670 -1.219 1.00 1.78 O ATOM 196 CB GLU A 16 42.791 22.441 -3.279 1.00 1.84 C ATOM 197 CG GLU A 16 42.028 23.670 -3.778 1.00 2.14 C ATOM 198 CD GLU A 16 40.773 23.223 -4.520 1.00 2.42 C ATOM 199 OE1 GLU A 16 40.896 22.390 -5.404 1.00 2.97 O ATOM 200 OE2 GLU A 16 39.708 23.719 -4.194 1.00 2.78 O ATOM 201 H GLU A 16 44.735 20.819 -2.930 1.00 1.94 H ATOM 202 HA GLU A 16 44.567 23.619 -3.468 1.00 2.01 H ATOM 203 HB2 GLU A 16 42.890 21.727 -4.083 1.00 1.99 H ATOM 204 HB3 GLU A 16 42.250 21.991 -2.461 1.00 1.94 H ATOM 205 HG2 GLU A 16 41.749 24.287 -2.936 1.00 2.55 H ATOM 206 HG3 GLU A 16 42.657 24.237 -4.448 1.00 2.58 H ATOM 207 N GLU A 17 44.007 22.571 -0.403 1.00 1.69 N ATOM 208 CA GLU A 17 43.898 23.010 0.985 1.00 1.60 C ATOM 209 C GLU A 17 45.185 23.700 1.424 1.00 1.71 C ATOM 210 O GLU A 17 45.157 24.746 2.072 1.00 1.68 O ATOM 211 CB GLU A 17 43.632 21.817 1.906 1.00 1.54 C ATOM 212 CG GLU A 17 43.302 22.321 3.312 1.00 1.68 C ATOM 213 CD GLU A 17 43.743 21.284 4.340 1.00 1.83 C ATOM 214 OE1 GLU A 17 44.915 21.276 4.679 1.00 2.31 O ATOM 215 OE2 GLU A 17 42.902 20.514 4.773 1.00 2.13 O ATOM 216 H GLU A 17 44.039 21.613 -0.605 1.00 1.72 H ATOM 217 HA GLU A 17 43.079 23.707 1.070 1.00 1.53 H ATOM 218 HB2 GLU A 17 42.799 21.246 1.522 1.00 1.83 H ATOM 219 HB3 GLU A 17 44.511 21.191 1.947 1.00 1.84 H ATOM 220 HG2 GLU A 17 43.821 23.251 3.492 1.00 2.03 H ATOM 221 HG3 GLU A 17 42.238 22.480 3.398 1.00 2.12 H ATOM 222 N ASP A 18 46.316 23.101 1.059 1.00 1.86 N ATOM 223 CA ASP A 18 47.615 23.666 1.416 1.00 1.99 C ATOM 224 C ASP A 18 47.785 25.044 0.784 1.00 2.00 C ATOM 225 O ASP A 18 48.420 25.931 1.354 1.00 2.03 O ATOM 226 CB ASP A 18 48.747 22.754 0.936 1.00 2.17 C ATOM 227 CG ASP A 18 49.995 23.005 1.775 1.00 2.32 C ATOM 228 OD1 ASP A 18 50.592 24.057 1.612 1.00 2.56 O ATOM 229 OD2 ASP A 18 50.335 22.143 2.568 1.00 2.66 O ATOM 230 H ASP A 18 46.277 22.270 0.541 1.00 1.89 H ATOM 231 HA ASP A 18 47.675 23.762 2.490 1.00 1.96 H ATOM 232 HB2 ASP A 18 48.445 21.722 1.038 1.00 2.14 H ATOM 233 HB3 ASP A 18 48.964 22.964 -0.101 1.00 2.24 H ATOM 234 N LEU A 19 47.205 25.213 -0.402 1.00 2.00 N ATOM 235 CA LEU A 19 47.292 26.489 -1.107 1.00 2.04 C ATOM 236 C LEU A 19 46.622 27.589 -0.290 1.00 1.90 C ATOM 237 O LEU A 19 47.159 28.686 -0.141 1.00 1.87 O ATOM 238 CB LEU A 19 46.611 26.395 -2.473 1.00 2.08 C ATOM 239 CG LEU A 19 47.331 27.308 -3.467 1.00 2.38 C ATOM 240 CD1 LEU A 19 46.945 26.917 -4.894 1.00 2.90 C ATOM 241 CD2 LEU A 19 46.926 28.761 -3.209 1.00 2.45 C ATOM 242 H LEU A 19 46.709 24.471 -0.807 1.00 2.00 H ATOM 243 HA LEU A 19 48.332 26.740 -1.250 1.00 2.16 H ATOM 244 HB2 LEU A 19 46.651 25.375 -2.826 1.00 2.19 H ATOM 245 HB3 LEU A 19 45.580 26.706 -2.384 1.00 2.03 H ATOM 246 HG LEU A 19 48.399 27.203 -3.342 1.00 2.70 H ATOM 247 HD11 LEU A 19 47.192 25.879 -5.062 1.00 3.22 H ATOM 248 HD12 LEU A 19 45.884 27.062 -5.032 1.00 3.16 H ATOM 249 HD13 LEU A 19 47.487 27.534 -5.595 1.00 3.28 H ATOM 250 HD21 LEU A 19 45.858 28.816 -3.059 1.00 2.63 H ATOM 251 HD22 LEU A 19 47.432 29.126 -2.327 1.00 2.73 H ATOM 252 HD23 LEU A 19 47.201 29.368 -4.059 1.00 2.84 H ATOM 253 N LEU A 20 45.443 27.279 0.240 1.00 1.82 N ATOM 254 CA LEU A 20 44.704 28.245 1.047 1.00 1.69 C ATOM 255 C LEU A 20 45.447 28.521 2.350 1.00 1.70 C ATOM 256 O LEU A 20 45.408 29.630 2.883 1.00 1.64 O ATOM 257 CB LEU A 20 43.306 27.716 1.370 1.00 1.61 C ATOM 258 CG LEU A 20 42.329 28.149 0.276 1.00 1.58 C ATOM 259 CD1 LEU A 20 41.167 27.156 0.207 1.00 1.53 C ATOM 260 CD2 LEU A 20 41.788 29.544 0.598 1.00 1.50 C ATOM 261 H LEU A 20 45.065 26.387 0.090 1.00 1.86 H ATOM 262 HA LEU A 20 44.611 29.167 0.493 1.00 1.68 H ATOM 263 HB2 LEU A 20 43.333 26.637 1.424 1.00 1.65 H ATOM 264 HB3 LEU A 20 42.980 28.116 2.319 1.00 1.55 H ATOM 265 HG LEU A 20 42.841 28.169 -0.676 1.00 1.68 H ATOM 266 HD11 LEU A 20 41.555 26.149 0.167 1.00 1.81 H ATOM 267 HD12 LEU A 20 40.546 27.268 1.084 1.00 1.69 H ATOM 268 HD13 LEU A 20 40.578 27.351 -0.677 1.00 1.96 H ATOM 269 HD21 LEU A 20 42.551 30.118 1.103 1.00 1.83 H ATOM 270 HD22 LEU A 20 41.510 30.043 -0.318 1.00 1.66 H ATOM 271 HD23 LEU A 20 40.922 29.455 1.237 1.00 1.88 H ATOM 272 N ARG A 21 46.128 27.495 2.857 1.00 1.79 N ATOM 273 CA ARG A 21 46.882 27.632 4.099 1.00 1.84 C ATOM 274 C ARG A 21 48.012 28.641 3.924 1.00 1.90 C ATOM 275 O ARG A 21 48.294 29.441 4.817 1.00 1.88 O ATOM 276 CB ARG A 21 47.476 26.285 4.517 1.00 1.98 C ATOM 277 CG ARG A 21 46.413 25.462 5.247 1.00 1.87 C ATOM 278 CD ARG A 21 46.845 23.995 5.298 1.00 2.15 C ATOM 279 NE ARG A 21 48.187 23.870 5.873 1.00 2.34 N ATOM 280 CZ ARG A 21 48.688 22.688 6.260 1.00 2.72 C ATOM 281 NH1 ARG A 21 47.993 21.582 6.143 1.00 3.07 N ATOM 282 NH2 ARG A 21 49.891 22.638 6.764 1.00 3.25 N ATOM 283 H ARG A 21 46.124 26.635 2.388 1.00 1.85 H ATOM 284 HA ARG A 21 46.218 27.978 4.877 1.00 1.78 H ATOM 285 HB2 ARG A 21 47.807 25.750 3.639 1.00 2.20 H ATOM 286 HB3 ARG A 21 48.315 26.451 5.176 1.00 2.29 H ATOM 287 HG2 ARG A 21 46.296 25.838 6.253 1.00 2.06 H ATOM 288 HG3 ARG A 21 45.473 25.541 4.722 1.00 2.04 H ATOM 289 HD2 ARG A 21 46.147 23.439 5.904 1.00 2.43 H ATOM 290 HD3 ARG A 21 46.844 23.591 4.296 1.00 2.63 H ATOM 291 HE ARG A 21 48.735 24.675 5.977 1.00 2.62 H ATOM 292 HH11 ARG A 21 47.070 21.604 5.759 1.00 3.12 H ATOM 293 HH12 ARG A 21 48.388 20.713 6.439 1.00 3.58 H ATOM 294 HH21 ARG A 21 50.429 23.476 6.859 1.00 3.52 H ATOM 295 HH22 ARG A 21 50.275 21.762 7.057 1.00 3.65 H ATOM 296 N LYS A 22 48.656 28.594 2.761 1.00 1.98 N ATOM 297 CA LYS A 22 49.756 29.510 2.473 1.00 2.06 C ATOM 298 C LYS A 22 49.250 30.948 2.428 1.00 1.91 C ATOM 299 O LYS A 22 49.938 31.878 2.851 1.00 1.92 O ATOM 300 CB LYS A 22 50.402 29.166 1.129 1.00 2.21 C ATOM 301 CG LYS A 22 51.892 29.513 1.172 1.00 2.59 C ATOM 302 CD LYS A 22 52.624 28.765 0.056 1.00 2.97 C ATOM 303 CE LYS A 22 54.041 28.418 0.518 1.00 3.40 C ATOM 304 NZ LYS A 22 54.937 29.587 0.292 1.00 4.01 N ATOM 305 H LYS A 22 48.386 27.936 2.087 1.00 2.02 H ATOM 306 HA LYS A 22 50.500 29.422 3.251 1.00 2.14 H ATOM 307 HB2 LYS A 22 50.283 28.110 0.933 1.00 2.37 H ATOM 308 HB3 LYS A 22 49.925 29.734 0.344 1.00 2.43 H ATOM 309 HG2 LYS A 22 52.017 30.577 1.036 1.00 2.89 H ATOM 310 HG3 LYS A 22 52.302 29.221 2.128 1.00 2.97 H ATOM 311 HD2 LYS A 22 52.088 27.857 -0.180 1.00 3.32 H ATOM 312 HD3 LYS A 22 52.677 29.391 -0.822 1.00 3.23 H ATOM 313 HE2 LYS A 22 54.027 28.172 1.569 1.00 3.70 H ATOM 314 HE3 LYS A 22 54.405 27.571 -0.045 1.00 3.59 H ATOM 315 HZ1 LYS A 22 54.904 29.862 -0.709 1.00 4.43 H ATOM 316 HZ2 LYS A 22 54.622 30.383 0.883 1.00 4.09 H ATOM 317 HZ3 LYS A 22 55.912 29.331 0.547 1.00 4.39 H ATOM 318 N ARG A 23 48.037 31.118 1.911 1.00 1.79 N ATOM 319 CA ARG A 23 47.440 32.447 1.815 1.00 1.66 C ATOM 320 C ARG A 23 47.007 32.937 3.193 1.00 1.56 C ATOM 321 O ARG A 23 47.079 34.128 3.496 1.00 1.53 O ATOM 322 CB ARG A 23 46.221 32.422 0.890 1.00 1.60 C ATOM 323 CG ARG A 23 45.942 33.835 0.375 1.00 1.63 C ATOM 324 CD ARG A 23 44.535 33.891 -0.223 1.00 1.65 C ATOM 325 NE ARG A 23 44.263 35.219 -0.778 1.00 1.60 N ATOM 326 CZ ARG A 23 44.836 35.649 -1.912 1.00 2.07 C ATOM 327 NH1 ARG A 23 45.677 34.894 -2.578 1.00 2.73 N ATOM 328 NH2 ARG A 23 44.552 36.841 -2.361 1.00 2.25 N ATOM 329 H ARG A 23 47.535 30.340 1.592 1.00 1.81 H ATOM 330 HA ARG A 23 48.170 33.132 1.411 1.00 1.72 H ATOM 331 HB2 ARG A 23 46.417 31.765 0.055 1.00 1.75 H ATOM 332 HB3 ARG A 23 45.362 32.063 1.436 1.00 1.53 H ATOM 333 HG2 ARG A 23 46.015 34.537 1.193 1.00 2.06 H ATOM 334 HG3 ARG A 23 46.664 34.090 -0.385 1.00 2.14 H ATOM 335 HD2 ARG A 23 44.452 33.156 -1.008 1.00 2.21 H ATOM 336 HD3 ARG A 23 43.812 33.670 0.549 1.00 2.13 H ATOM 337 HE ARG A 23 43.641 35.812 -0.307 1.00 1.64 H ATOM 338 HH11 ARG A 23 45.906 33.980 -2.248 1.00 2.80 H ATOM 339 HH12 ARG A 23 46.091 35.237 -3.421 1.00 3.31 H ATOM 340 HH21 ARG A 23 43.913 37.425 -1.860 1.00 2.12 H ATOM 341 HH22 ARG A 23 44.973 37.171 -3.205 1.00 2.76 H ATOM 342 N ARG A 24 46.557 32.002 4.025 1.00 1.55 N ATOM 343 CA ARG A 24 46.113 32.345 5.373 1.00 1.51 C ATOM 344 C ARG A 24 47.267 32.933 6.180 1.00 1.65 C ATOM 345 O ARG A 24 47.073 33.816 7.015 1.00 1.64 O ATOM 346 CB ARG A 24 45.583 31.104 6.095 1.00 1.56 C ATOM 347 CG ARG A 24 44.723 31.533 7.285 1.00 1.66 C ATOM 348 CD ARG A 24 43.591 30.525 7.487 1.00 1.50 C ATOM 349 NE ARG A 24 43.233 30.427 8.905 1.00 1.97 N ATOM 350 CZ ARG A 24 44.032 29.831 9.802 1.00 2.30 C ATOM 351 NH1 ARG A 24 45.182 29.308 9.448 1.00 2.50 N ATOM 352 NH2 ARG A 24 43.659 29.772 11.051 1.00 3.04 N ATOM 353 H ARG A 24 46.522 31.068 3.728 1.00 1.60 H ATOM 354 HA ARG A 24 45.322 33.076 5.308 1.00 1.40 H ATOM 355 HB2 ARG A 24 44.986 30.518 5.410 1.00 1.82 H ATOM 356 HB3 ARG A 24 46.413 30.510 6.448 1.00 1.80 H ATOM 357 HG2 ARG A 24 45.335 31.572 8.175 1.00 2.04 H ATOM 358 HG3 ARG A 24 44.303 32.509 7.093 1.00 2.03 H ATOM 359 HD2 ARG A 24 42.727 30.842 6.925 1.00 1.66 H ATOM 360 HD3 ARG A 24 43.911 29.556 7.131 1.00 1.79 H ATOM 361 HE ARG A 24 42.382 30.808 9.206 1.00 2.50 H ATOM 362 HH11 ARG A 24 45.483 29.346 8.496 1.00 2.48 H ATOM 363 HH12 ARG A 24 45.760 28.869 10.136 1.00 3.06 H ATOM 364 HH21 ARG A 24 42.784 30.168 11.331 1.00 3.47 H ATOM 365 HH22 ARG A 24 44.247 29.329 11.728 1.00 3.40 H ATOM 366 N GLU A 25 48.471 32.431 5.919 1.00 1.82 N ATOM 367 CA GLU A 25 49.655 32.912 6.625 1.00 1.99 C ATOM 368 C GLU A 25 50.021 34.316 6.155 1.00 1.90 C ATOM 369 O GLU A 25 50.338 35.192 6.960 1.00 1.97 O ATOM 370 CB GLU A 25 50.842 31.979 6.379 1.00 2.22 C ATOM 371 CG GLU A 25 50.816 30.839 7.399 1.00 2.45 C ATOM 372 CD GLU A 25 52.154 30.109 7.380 1.00 2.70 C ATOM 373 OE1 GLU A 25 52.482 29.541 6.351 1.00 3.08 O ATOM 374 OE2 GLU A 25 52.832 30.128 8.394 1.00 3.07 O ATOM 375 H GLU A 25 48.564 31.728 5.242 1.00 1.86 H ATOM 376 HA GLU A 25 49.446 32.939 7.684 1.00 2.06 H ATOM 377 HB2 GLU A 25 50.778 31.571 5.381 1.00 2.34 H ATOM 378 HB3 GLU A 25 51.763 32.532 6.484 1.00 2.57 H ATOM 379 HG2 GLU A 25 50.640 31.243 8.386 1.00 2.77 H ATOM 380 HG3 GLU A 25 50.027 30.147 7.147 1.00 2.82 H ATOM 381 N GLN A 26 49.975 34.519 4.842 1.00 1.79 N ATOM 382 CA GLN A 26 50.304 35.822 4.271 1.00 1.74 C ATOM 383 C GLN A 26 49.298 36.873 4.730 1.00 1.58 C ATOM 384 O GLN A 26 49.667 37.990 5.093 1.00 1.61 O ATOM 385 CB GLN A 26 50.295 35.757 2.743 1.00 1.74 C ATOM 386 CG GLN A 26 51.639 35.223 2.246 1.00 2.10 C ATOM 387 CD GLN A 26 51.784 35.515 0.756 1.00 2.22 C ATOM 388 OE1 GLN A 26 50.927 35.138 -0.043 1.00 2.84 O ATOM 389 NE2 GLN A 26 52.828 36.172 0.331 1.00 2.41 N ATOM 390 H GLN A 26 49.715 33.784 4.248 1.00 1.79 H ATOM 391 HA GLN A 26 51.290 36.112 4.602 1.00 1.88 H ATOM 392 HB2 GLN A 26 49.502 35.100 2.415 1.00 1.89 H ATOM 393 HB3 GLN A 26 50.132 36.746 2.341 1.00 1.77 H ATOM 394 HG2 GLN A 26 52.440 35.704 2.787 1.00 2.53 H ATOM 395 HG3 GLN A 26 51.685 34.156 2.407 1.00 2.58 H ATOM 396 HE21 GLN A 26 53.511 36.472 0.967 1.00 2.57 H ATOM 397 HE22 GLN A 26 52.930 36.364 -0.625 1.00 2.81 H ATOM 398 N LEU A 27 48.021 36.501 4.709 1.00 1.45 N ATOM 399 CA LEU A 27 46.963 37.418 5.125 1.00 1.32 C ATOM 400 C LEU A 27 47.105 37.757 6.605 1.00 1.52 C ATOM 401 O LEU A 27 46.922 38.903 7.016 1.00 1.59 O ATOM 402 CB LEU A 27 45.588 36.793 4.887 1.00 1.18 C ATOM 403 CG LEU A 27 45.316 36.710 3.384 1.00 1.06 C ATOM 404 CD1 LEU A 27 44.172 35.728 3.125 1.00 1.01 C ATOM 405 CD2 LEU A 27 44.927 38.094 2.861 1.00 1.06 C ATOM 406 H LEU A 27 47.786 35.598 4.409 1.00 1.47 H ATOM 407 HA LEU A 27 47.039 38.327 4.547 1.00 1.26 H ATOM 408 HB2 LEU A 27 45.566 35.800 5.313 1.00 1.27 H ATOM 409 HB3 LEU A 27 44.829 37.402 5.355 1.00 1.18 H ATOM 410 HG LEU A 27 46.206 36.367 2.877 1.00 1.15 H ATOM 411 HD11 LEU A 27 44.350 34.815 3.676 1.00 1.43 H ATOM 412 HD12 LEU A 27 43.240 36.167 3.449 1.00 1.39 H ATOM 413 HD13 LEU A 27 44.119 35.507 2.070 1.00 1.46 H ATOM 414 HD21 LEU A 27 44.211 38.545 3.532 1.00 1.44 H ATOM 415 HD22 LEU A 27 45.807 38.717 2.802 1.00 1.43 H ATOM 416 HD23 LEU A 27 44.488 37.997 1.878 1.00 1.51 H ATOM 417 N LYS A 28 47.433 36.744 7.402 1.00 1.69 N ATOM 418 CA LYS A 28 47.598 36.940 8.840 1.00 1.95 C ATOM 419 C LYS A 28 48.894 37.691 9.129 1.00 2.11 C ATOM 420 O LYS A 28 48.981 38.463 10.085 1.00 2.29 O ATOM 421 CB LYS A 28 47.630 35.592 9.564 1.00 2.18 C ATOM 422 CG LYS A 28 47.337 35.802 11.050 1.00 2.40 C ATOM 423 CD LYS A 28 47.491 34.474 11.794 1.00 2.75 C ATOM 424 CE LYS A 28 46.529 34.439 12.983 1.00 3.37 C ATOM 425 NZ LYS A 28 46.948 33.367 13.929 1.00 4.01 N ATOM 426 H LYS A 28 47.565 35.852 7.019 1.00 1.69 H ATOM 427 HA LYS A 28 46.766 37.517 9.214 1.00 1.94 H ATOM 428 HB2 LYS A 28 46.884 34.937 9.137 1.00 2.37 H ATOM 429 HB3 LYS A 28 48.607 35.146 9.451 1.00 2.46 H ATOM 430 HG2 LYS A 28 48.030 36.525 11.455 1.00 2.83 H ATOM 431 HG3 LYS A 28 46.327 36.164 11.170 1.00 2.57 H ATOM 432 HD2 LYS A 28 47.266 33.658 11.123 1.00 2.87 H ATOM 433 HD3 LYS A 28 48.505 34.377 12.152 1.00 3.13 H ATOM 434 HE2 LYS A 28 46.546 35.393 13.489 1.00 3.69 H ATOM 435 HE3 LYS A 28 45.528 34.237 12.630 1.00 3.63 H ATOM 436 HZ1 LYS A 28 46.988 32.457 13.427 1.00 4.21 H ATOM 437 HZ2 LYS A 28 47.887 33.593 14.315 1.00 4.25 H ATOM 438 HZ3 LYS A 28 46.260 33.301 14.706 1.00 4.48 H ATOM 439 N HIS A 29 49.900 37.456 8.292 1.00 2.07 N ATOM 440 CA HIS A 29 51.192 38.115 8.464 1.00 2.23 C ATOM 441 C HIS A 29 51.042 39.627 8.331 1.00 2.19 C ATOM 442 O HIS A 29 51.499 40.387 9.184 1.00 2.44 O ATOM 443 CB HIS A 29 52.189 37.619 7.415 1.00 2.21 C ATOM 444 CG HIS A 29 52.830 36.347 7.895 1.00 2.38 C ATOM 445 ND1 HIS A 29 53.307 36.202 9.188 1.00 2.62 N ATOM 446 CD2 HIS A 29 53.081 35.152 7.267 1.00 2.43 C ATOM 447 CE1 HIS A 29 53.815 34.961 9.296 1.00 2.78 C ATOM 448 NE2 HIS A 29 53.703 34.278 8.154 1.00 2.67 N ATOM 449 H HIS A 29 49.773 36.831 7.548 1.00 1.96 H ATOM 450 HA HIS A 29 51.576 37.885 9.446 1.00 2.47 H ATOM 451 HB2 HIS A 29 51.671 37.433 6.485 1.00 2.07 H ATOM 452 HB3 HIS A 29 52.950 38.369 7.259 1.00 2.27 H ATOM 453 HD1 HIS A 29 53.279 36.880 9.895 1.00 2.69 H ATOM 454 HD2 HIS A 29 52.833 34.925 6.241 1.00 2.34 H ATOM 455 HE1 HIS A 29 54.260 34.565 10.197 1.00 3.00 H ATOM 456 N LYS A 30 50.395 40.054 7.250 1.00 1.95 N ATOM 457 CA LYS A 30 50.188 41.480 7.012 1.00 1.99 C ATOM 458 C LYS A 30 49.352 42.091 8.132 1.00 2.17 C ATOM 459 O LYS A 30 49.549 43.244 8.516 1.00 2.46 O ATOM 460 CB LYS A 30 49.474 41.703 5.677 1.00 1.73 C ATOM 461 CG LYS A 30 50.498 41.676 4.540 1.00 1.98 C ATOM 462 CD LYS A 30 49.770 41.604 3.196 1.00 2.17 C ATOM 463 CE LYS A 30 50.562 42.382 2.144 1.00 2.46 C ATOM 464 NZ LYS A 30 49.696 42.640 0.959 1.00 2.99 N ATOM 465 H LYS A 30 50.052 39.402 6.604 1.00 1.78 H ATOM 466 HA LYS A 30 51.148 41.974 6.981 1.00 2.18 H ATOM 467 HB2 LYS A 30 48.744 40.922 5.524 1.00 1.77 H ATOM 468 HB3 LYS A 30 48.979 42.662 5.689 1.00 1.85 H ATOM 469 HG2 LYS A 30 51.100 42.573 4.577 1.00 2.51 H ATOM 470 HG3 LYS A 30 51.134 40.811 4.649 1.00 2.28 H ATOM 471 HD2 LYS A 30 49.680 40.572 2.891 1.00 2.52 H ATOM 472 HD3 LYS A 30 48.786 42.037 3.296 1.00 2.55 H ATOM 473 HE2 LYS A 30 50.890 43.322 2.562 1.00 2.79 H ATOM 474 HE3 LYS A 30 51.423 41.803 1.841 1.00 2.76 H ATOM 475 HZ1 LYS A 30 48.784 43.027 1.274 1.00 3.35 H ATOM 476 HZ2 LYS A 30 50.162 43.324 0.331 1.00 3.41 H ATOM 477 HZ3 LYS A 30 49.537 41.748 0.446 1.00 3.19 H ATOM 478 N LEU A 31 48.415 41.303 8.651 1.00 2.07 N ATOM 479 CA LEU A 31 47.551 41.772 9.731 1.00 2.30 C ATOM 480 C LEU A 31 48.322 41.816 11.046 1.00 2.71 C ATOM 481 O LEU A 31 48.157 42.733 11.850 1.00 3.02 O ATOM 482 CB LEU A 31 46.341 40.846 9.888 1.00 2.20 C ATOM 483 CG LEU A 31 45.107 41.670 10.263 1.00 2.30 C ATOM 484 CD1 LEU A 31 43.866 40.777 10.224 1.00 2.55 C ATOM 485 CD2 LEU A 31 45.282 42.237 11.673 1.00 2.80 C ATOM 486 H LEU A 31 48.304 40.393 8.306 1.00 1.90 H ATOM 487 HA LEU A 31 47.203 42.767 9.494 1.00 2.33 H ATOM 488 HB2 LEU A 31 46.160 40.330 8.956 1.00 2.04 H ATOM 489 HB3 LEU A 31 46.538 40.123 10.666 1.00 2.48 H ATOM 490 HG LEU A 31 44.989 42.481 9.558 1.00 2.66 H ATOM 491 HD11 LEU A 31 44.025 39.970 9.524 1.00 2.94 H ATOM 492 HD12 LEU A 31 43.684 40.370 11.207 1.00 2.95 H ATOM 493 HD13 LEU A 31 43.012 41.361 9.912 1.00 2.75 H ATOM 494 HD21 LEU A 31 45.701 41.477 12.317 1.00 3.24 H ATOM 495 HD22 LEU A 31 45.947 43.087 11.640 1.00 3.02 H ATOM 496 HD23 LEU A 31 44.322 42.546 12.059 1.00 3.22 H ATOM 497 N GLU A 32 49.168 40.811 11.254 1.00 2.76 N ATOM 498 CA GLU A 32 49.966 40.738 12.475 1.00 3.17 C ATOM 499 C GLU A 32 51.082 41.777 12.445 1.00 3.33 C ATOM 500 O GLU A 32 51.295 42.509 13.412 1.00 3.72 O ATOM 501 CB GLU A 32 50.584 39.347 12.628 1.00 3.23 C ATOM 502 CG GLU A 32 50.888 39.082 14.104 1.00 3.61 C ATOM 503 CD GLU A 32 52.041 38.090 14.215 1.00 4.10 C ATOM 504 OE1 GLU A 32 52.105 37.191 13.393 1.00 4.46 O ATOM 505 OE2 GLU A 32 52.844 38.245 15.121 1.00 4.56 O ATOM 506 H GLU A 32 49.257 40.108 10.577 1.00 2.55 H ATOM 507 HA GLU A 32 49.327 40.932 13.324 1.00 3.43 H ATOM 508 HB2 GLU A 32 49.891 38.603 12.263 1.00 3.38 H ATOM 509 HB3 GLU A 32 51.500 39.296 12.059 1.00 3.29 H ATOM 510 HG2 GLU A 32 51.161 40.009 14.587 1.00 3.76 H ATOM 511 HG3 GLU A 32 50.013 38.669 14.583 1.00 3.93 H ATOM 512 N GLN A 33 51.792 41.833 11.322 1.00 3.16 N ATOM 513 CA GLN A 33 52.888 42.787 11.171 1.00 3.39 C ATOM 514 C GLN A 33 52.368 44.218 11.275 1.00 3.57 C ATOM 515 O GLN A 33 53.039 45.100 11.811 1.00 3.99 O ATOM 516 CB GLN A 33 53.576 42.604 9.816 1.00 3.32 C ATOM 517 CG GLN A 33 54.871 43.419 9.787 1.00 3.52 C ATOM 518 CD GLN A 33 55.773 42.902 8.672 1.00 3.99 C ATOM 519 OE1 GLN A 33 55.361 42.826 7.515 1.00 4.41 O ATOM 520 NE2 GLN A 33 56.994 42.537 8.954 1.00 4.43 N ATOM 521 H GLN A 33 51.577 41.225 10.584 1.00 2.99 H ATOM 522 HA GLN A 33 53.611 42.618 11.955 1.00 3.69 H ATOM 523 HB2 GLN A 33 53.804 41.559 9.667 1.00 3.41 H ATOM 524 HB3 GLN A 33 52.920 42.946 9.030 1.00 3.49 H ATOM 525 HG2 GLN A 33 54.637 44.459 9.609 1.00 3.72 H ATOM 526 HG3 GLN A 33 55.380 43.322 10.734 1.00 3.70 H ATOM 527 HE21 GLN A 33 57.323 42.597 9.875 1.00 4.51 H ATOM 528 HE22 GLN A 33 57.582 42.203 8.245 1.00 4.94 H ATOM 529 N LEU A 34 51.163 44.437 10.756 1.00 3.53 N ATOM 530 CA LEU A 34 50.558 45.765 10.794 1.00 3.93 C ATOM 531 C LEU A 34 49.104 45.675 11.247 1.00 4.18 C ATOM 532 O LEU A 34 48.293 44.983 10.632 1.00 4.56 O ATOM 533 CB LEU A 34 50.610 46.419 9.412 1.00 4.41 C ATOM 534 CG LEU A 34 51.999 47.017 9.183 1.00 4.94 C ATOM 535 CD1 LEU A 34 52.351 46.937 7.697 1.00 5.57 C ATOM 536 CD2 LEU A 34 52.002 48.481 9.629 1.00 5.58 C ATOM 537 H LEU A 34 50.674 43.695 10.342 1.00 3.42 H ATOM 538 HA LEU A 34 51.105 46.380 11.493 1.00 4.23 H ATOM 539 HB2 LEU A 34 50.408 45.675 8.655 1.00 4.47 H ATOM 540 HB3 LEU A 34 49.869 47.202 9.356 1.00 4.74 H ATOM 541 HG LEU A 34 52.728 46.463 9.756 1.00 4.92 H ATOM 542 HD11 LEU A 34 52.145 45.942 7.332 1.00 5.77 H ATOM 543 HD12 LEU A 34 51.758 47.653 7.147 1.00 5.85 H ATOM 544 HD13 LEU A 34 53.399 47.160 7.563 1.00 5.92 H ATOM 545 HD21 LEU A 34 51.175 49.000 9.166 1.00 5.88 H ATOM 546 HD22 LEU A 34 51.902 48.531 10.703 1.00 5.78 H ATOM 547 HD23 LEU A 34 52.930 48.946 9.332 1.00 5.92 H HETATM 548 N NH2 A 35 48.722 46.342 12.301 1.00 4.55 N HETATM 549 HN1 NH2 A 35 49.366 46.893 12.792 1.00 4.63 H HETATM 550 HN2 NH2 A 35 47.790 46.292 12.601 1.00 5.04 H TER 551 NH2 A 35 HETATM 552 C ACE B 2 41.030 -0.012 0.402 1.00 4.95 C HETATM 553 O ACE B 2 42.227 -0.246 0.572 1.00 5.12 O HETATM 554 CH3 ACE B 2 40.034 -1.141 0.162 1.00 5.72 C HETATM 555 H1 ACE B 2 39.264 -1.109 0.919 1.00 6.13 H HETATM 556 H2 ACE B 2 40.546 -2.090 0.210 1.00 5.96 H HETATM 557 H3 ACE B 2 39.584 -1.023 -0.813 1.00 5.96 H ATOM 558 N CYS B 3 40.522 1.217 0.414 1.00 4.47 N ATOM 559 CA CYS B 3 41.376 2.382 0.634 1.00 4.02 C ATOM 560 C CYS B 3 41.485 2.687 2.125 1.00 3.94 C ATOM 561 O CYS B 3 42.582 2.832 2.665 1.00 4.27 O ATOM 562 CB CYS B 3 40.808 3.606 -0.085 1.00 3.88 C ATOM 563 SG CYS B 3 41.234 3.526 -1.842 1.00 4.28 S ATOM 564 H CYS B 3 39.561 1.343 0.273 1.00 4.70 H ATOM 565 HA CYS B 3 42.361 2.174 0.245 1.00 4.27 H ATOM 566 HB2 CYS B 3 39.734 3.622 0.025 1.00 4.13 H ATOM 567 HB3 CYS B 3 41.227 4.503 0.347 1.00 3.83 H ATOM 568 N GLY B 4 40.334 2.783 2.783 1.00 3.91 N ATOM 569 CA GLY B 4 40.308 3.072 4.214 1.00 4.01 C ATOM 570 C GLY B 4 39.382 4.246 4.514 1.00 3.61 C ATOM 571 O GLY B 4 38.180 4.071 4.719 1.00 4.02 O ATOM 572 H GLY B 4 39.490 2.658 2.301 1.00 4.08 H ATOM 573 HA2 GLY B 4 39.961 2.199 4.746 1.00 4.28 H ATOM 574 HA3 GLY B 4 41.306 3.318 4.545 1.00 4.39 H ATOM 575 N GLY B 5 39.955 5.446 4.537 1.00 3.18 N ATOM 576 CA GLY B 5 39.173 6.648 4.814 1.00 2.90 C ATOM 577 C GLY B 5 39.002 7.486 3.552 1.00 2.10 C ATOM 578 O GLY B 5 39.655 8.515 3.379 1.00 1.80 O ATOM 579 H GLY B 5 40.917 5.525 4.367 1.00 3.36 H ATOM 580 HA2 GLY B 5 38.200 6.361 5.186 1.00 3.24 H ATOM 581 HA3 GLY B 5 39.680 7.238 5.563 1.00 3.28 H ATOM 582 N MET B 6 38.116 7.032 2.670 1.00 2.05 N ATOM 583 CA MET B 6 37.863 7.746 1.421 1.00 1.68 C ATOM 584 C MET B 6 36.996 8.976 1.674 1.00 1.48 C ATOM 585 O MET B 6 37.428 10.110 1.472 1.00 1.20 O ATOM 586 CB MET B 6 37.152 6.834 0.419 1.00 1.97 C ATOM 587 CG MET B 6 37.985 5.570 0.198 1.00 2.48 C ATOM 588 SD MET B 6 36.889 4.184 -0.197 1.00 3.39 S ATOM 589 CE MET B 6 36.087 4.930 -1.637 1.00 4.05 C ATOM 590 H MET B 6 37.625 6.206 2.862 1.00 2.50 H ATOM 591 HA MET B 6 38.805 8.061 1.000 1.00 1.90 H ATOM 592 HB2 MET B 6 36.180 6.564 0.806 1.00 2.39 H ATOM 593 HB3 MET B 6 37.035 7.354 -0.520 1.00 2.26 H ATOM 594 HG2 MET B 6 38.672 5.729 -0.619 1.00 2.86 H ATOM 595 HG3 MET B 6 38.541 5.344 1.096 1.00 2.70 H ATOM 596 HE1 MET B 6 36.837 5.386 -2.270 1.00 4.32 H ATOM 597 HE2 MET B 6 35.565 4.169 -2.194 1.00 4.18 H ATOM 598 HE3 MET B 6 35.382 5.680 -1.307 1.00 4.57 H ATOM 599 N ARG B 7 35.765 8.736 2.116 1.00 1.72 N ATOM 600 CA ARG B 7 34.838 9.830 2.393 1.00 1.64 C ATOM 601 C ARG B 7 35.269 10.597 3.640 1.00 1.42 C ATOM 602 O ARG B 7 35.045 11.802 3.752 1.00 1.22 O ATOM 603 CB ARG B 7 33.422 9.292 2.602 1.00 2.01 C ATOM 604 CG ARG B 7 32.743 9.101 1.244 1.00 2.19 C ATOM 605 CD ARG B 7 31.247 8.858 1.449 1.00 2.46 C ATOM 606 NE ARG B 7 30.551 10.119 1.716 1.00 3.17 N ATOM 607 CZ ARG B 7 29.266 10.156 2.098 1.00 3.79 C ATOM 608 NH1 ARG B 7 28.569 9.055 2.250 1.00 3.96 N ATOM 609 NH2 ARG B 7 28.698 11.309 2.322 1.00 4.66 N ATOM 610 H ARG B 7 35.474 7.811 2.257 1.00 1.99 H ATOM 611 HA ARG B 7 34.833 10.506 1.551 1.00 1.55 H ATOM 612 HB2 ARG B 7 33.470 8.344 3.118 1.00 2.36 H ATOM 613 HB3 ARG B 7 32.852 9.995 3.191 1.00 2.38 H ATOM 614 HG2 ARG B 7 32.886 9.988 0.643 1.00 2.58 H ATOM 615 HG3 ARG B 7 33.178 8.251 0.741 1.00 2.58 H ATOM 616 HD2 ARG B 7 30.835 8.407 0.560 1.00 2.73 H ATOM 617 HD3 ARG B 7 31.108 8.187 2.285 1.00 2.65 H ATOM 618 HE ARG B 7 31.040 10.962 1.613 1.00 3.54 H ATOM 619 HH11 ARG B 7 28.989 8.164 2.082 1.00 3.66 H ATOM 620 HH12 ARG B 7 27.612 9.108 2.536 1.00 4.68 H ATOM 621 HH21 ARG B 7 29.221 12.154 2.209 1.00 4.94 H ATOM 622 HH22 ARG B 7 27.741 11.348 2.608 1.00 5.24 H ATOM 623 N ARG B 8 35.889 9.884 4.577 1.00 1.54 N ATOM 624 CA ARG B 8 36.347 10.507 5.817 1.00 1.48 C ATOM 625 C ARG B 8 37.370 11.601 5.520 1.00 1.18 C ATOM 626 O ARG B 8 37.197 12.755 5.911 1.00 1.12 O ATOM 627 CB ARG B 8 36.988 9.465 6.735 1.00 1.80 C ATOM 628 CG ARG B 8 35.911 8.825 7.614 1.00 2.34 C ATOM 629 CD ARG B 8 36.576 7.966 8.690 1.00 2.73 C ATOM 630 NE ARG B 8 35.693 7.817 9.850 1.00 3.27 N ATOM 631 CZ ARG B 8 36.144 7.382 11.036 1.00 3.78 C ATOM 632 NH1 ARG B 8 37.405 7.070 11.213 1.00 3.94 N ATOM 633 NH2 ARG B 8 35.311 7.267 12.034 1.00 4.54 N ATOM 634 H ARG B 8 36.039 8.926 4.435 1.00 1.73 H ATOM 635 HA ARG B 8 35.501 10.946 6.324 1.00 1.50 H ATOM 636 HB2 ARG B 8 37.466 8.703 6.136 1.00 2.06 H ATOM 637 HB3 ARG B 8 37.725 9.944 7.364 1.00 1.87 H ATOM 638 HG2 ARG B 8 35.322 9.600 8.082 1.00 2.64 H ATOM 639 HG3 ARG B 8 35.272 8.204 7.004 1.00 2.81 H ATOM 640 HD2 ARG B 8 36.794 6.991 8.284 1.00 3.03 H ATOM 641 HD3 ARG B 8 37.499 8.436 9.000 1.00 3.04 H ATOM 642 HE ARG B 8 34.744 8.041 9.757 1.00 3.62 H ATOM 643 HH11 ARG B 8 38.056 7.153 10.459 1.00 3.74 H ATOM 644 HH12 ARG B 8 37.718 6.748 12.106 1.00 4.55 H ATOM 645 HH21 ARG B 8 34.347 7.502 11.911 1.00 4.84 H ATOM 646 HH22 ARG B 8 35.636 6.943 12.923 1.00 5.03 H ATOM 647 N LYS B 9 38.438 11.222 4.824 1.00 1.05 N ATOM 648 CA LYS B 9 39.487 12.177 4.477 1.00 0.87 C ATOM 649 C LYS B 9 38.927 13.288 3.594 1.00 0.57 C ATOM 650 O LYS B 9 39.247 14.463 3.772 1.00 0.53 O ATOM 651 CB LYS B 9 40.625 11.476 3.733 1.00 0.97 C ATOM 652 CG LYS B 9 41.615 10.893 4.743 1.00 1.51 C ATOM 653 CD LYS B 9 42.671 10.067 4.006 1.00 2.00 C ATOM 654 CE LYS B 9 43.509 9.287 5.021 1.00 2.46 C ATOM 655 NZ LYS B 9 44.622 10.148 5.511 1.00 2.87 N ATOM 656 H LYS B 9 38.522 10.288 4.539 1.00 1.15 H ATOM 657 HA LYS B 9 39.879 12.613 5.384 1.00 0.99 H ATOM 658 HB2 LYS B 9 40.220 10.681 3.123 1.00 1.27 H ATOM 659 HB3 LYS B 9 41.136 12.188 3.102 1.00 1.04 H ATOM 660 HG2 LYS B 9 42.096 11.697 5.281 1.00 1.99 H ATOM 661 HG3 LYS B 9 41.087 10.259 5.440 1.00 2.06 H ATOM 662 HD2 LYS B 9 42.182 9.376 3.334 1.00 2.44 H ATOM 663 HD3 LYS B 9 43.314 10.726 3.442 1.00 2.45 H ATOM 664 HE2 LYS B 9 42.887 8.994 5.853 1.00 2.91 H ATOM 665 HE3 LYS B 9 43.917 8.405 4.548 1.00 2.78 H ATOM 666 HZ1 LYS B 9 44.285 11.125 5.616 1.00 3.23 H ATOM 667 HZ2 LYS B 9 44.953 9.794 6.433 1.00 3.08 H ATOM 668 HZ3 LYS B 9 45.406 10.124 4.829 1.00 3.25 H ATOM 669 N ASN B 10 38.086 12.901 2.639 1.00 0.56 N ATOM 670 CA ASN B 10 37.483 13.872 1.729 1.00 0.53 C ATOM 671 C ASN B 10 36.627 14.870 2.503 1.00 0.48 C ATOM 672 O ASN B 10 36.635 16.068 2.220 1.00 0.51 O ATOM 673 CB ASN B 10 36.609 13.163 0.693 1.00 0.82 C ATOM 674 CG ASN B 10 37.476 12.705 -0.475 1.00 0.93 C ATOM 675 OD1 ASN B 10 38.504 13.315 -0.770 1.00 1.52 O ATOM 676 ND2 ASN B 10 37.118 11.657 -1.165 1.00 1.18 N ATOM 677 H ASN B 10 37.867 11.951 2.545 1.00 0.73 H ATOM 678 HA ASN B 10 38.268 14.407 1.216 1.00 0.53 H ATOM 679 HB2 ASN B 10 36.135 12.306 1.148 1.00 0.95 H ATOM 680 HB3 ASN B 10 35.853 13.845 0.332 1.00 0.97 H ATOM 681 HD21 ASN B 10 36.300 11.171 -0.930 1.00 1.71 H ATOM 682 HD22 ASN B 10 37.669 11.355 -1.917 1.00 1.23 H ATOM 683 N ASP B 11 35.887 14.361 3.484 1.00 0.56 N ATOM 684 CA ASP B 11 35.026 15.216 4.296 1.00 0.59 C ATOM 685 C ASP B 11 35.861 16.236 5.063 1.00 0.42 C ATOM 686 O ASP B 11 35.551 17.428 5.080 1.00 0.44 O ATOM 687 CB ASP B 11 34.223 14.378 5.293 1.00 0.83 C ATOM 688 CG ASP B 11 32.960 15.133 5.692 1.00 1.36 C ATOM 689 OD1 ASP B 11 33.089 16.206 6.259 1.00 1.79 O ATOM 690 OD2 ASP B 11 31.882 14.627 5.426 1.00 2.09 O ATOM 691 H ASP B 11 35.920 13.399 3.665 1.00 0.67 H ATOM 692 HA ASP B 11 34.339 15.740 3.648 1.00 0.69 H ATOM 693 HB2 ASP B 11 33.952 13.437 4.836 1.00 0.92 H ATOM 694 HB3 ASP B 11 34.822 14.192 6.172 1.00 1.08 H ATOM 695 N THR B 12 36.925 15.754 5.698 1.00 0.46 N ATOM 696 CA THR B 12 37.803 16.631 6.467 1.00 0.57 C ATOM 697 C THR B 12 38.465 17.655 5.552 1.00 0.51 C ATOM 698 O THR B 12 38.677 18.806 5.934 1.00 0.67 O ATOM 699 CB THR B 12 38.890 15.816 7.173 1.00 0.80 C ATOM 700 OG1 THR B 12 39.188 14.660 6.402 1.00 1.36 O ATOM 701 CG2 THR B 12 38.397 15.396 8.558 1.00 1.63 C ATOM 702 H THR B 12 37.123 14.795 5.649 1.00 0.56 H ATOM 703 HA THR B 12 37.218 17.150 7.211 1.00 0.65 H ATOM 704 HB THR B 12 39.780 16.417 7.279 1.00 1.30 H ATOM 705 HG1 THR B 12 39.913 14.197 6.829 1.00 1.70 H ATOM 706 HG21 THR B 12 37.677 16.116 8.918 1.00 2.15 H ATOM 707 HG22 THR B 12 37.932 14.423 8.495 1.00 2.12 H ATOM 708 HG23 THR B 12 39.234 15.352 9.240 1.00 2.21 H ATOM 709 N HIS B 13 38.788 17.223 4.337 1.00 0.42 N ATOM 710 CA HIS B 13 39.427 18.109 3.368 1.00 0.60 C ATOM 711 C HIS B 13 38.501 19.268 3.016 1.00 0.63 C ATOM 712 O HIS B 13 38.901 20.432 3.033 1.00 0.81 O ATOM 713 CB HIS B 13 39.775 17.345 2.090 1.00 0.68 C ATOM 714 CG HIS B 13 41.056 16.583 2.291 1.00 0.74 C ATOM 715 ND1 HIS B 13 42.243 17.210 2.638 1.00 0.98 N ATOM 716 CD2 HIS B 13 41.353 15.246 2.196 1.00 0.69 C ATOM 717 CE1 HIS B 13 43.189 16.259 2.738 1.00 1.05 C ATOM 718 NE2 HIS B 13 42.700 15.044 2.479 1.00 0.88 N ATOM 719 H HIS B 13 38.595 16.295 4.087 1.00 0.34 H ATOM 720 HA HIS B 13 40.333 18.503 3.797 1.00 0.74 H ATOM 721 HB2 HIS B 13 38.978 16.654 1.855 1.00 0.61 H ATOM 722 HB3 HIS B 13 39.897 18.043 1.275 1.00 0.91 H ATOM 723 HD1 HIS B 13 42.369 18.171 2.785 1.00 1.11 H ATOM 724 HD2 HIS B 13 40.647 14.469 1.940 1.00 0.61 H ATOM 725 HE1 HIS B 13 44.220 16.455 2.996 1.00 1.27 H ATOM 726 N GLN B 14 37.257 18.931 2.696 1.00 0.54 N ATOM 727 CA GLN B 14 36.269 19.946 2.337 1.00 0.65 C ATOM 728 C GLN B 14 36.030 20.895 3.507 1.00 0.60 C ATOM 729 O GLN B 14 35.926 22.109 3.329 1.00 0.69 O ATOM 730 CB GLN B 14 34.943 19.289 1.949 1.00 0.69 C ATOM 731 CG GLN B 14 34.940 18.993 0.448 1.00 1.23 C ATOM 732 CD GLN B 14 33.543 18.559 0.017 1.00 1.48 C ATOM 733 OE1 GLN B 14 33.004 17.579 0.531 1.00 2.01 O ATOM 734 NE2 GLN B 14 32.918 19.239 -0.906 1.00 2.01 N ATOM 735 H GLN B 14 36.999 17.987 2.700 1.00 0.47 H ATOM 736 HA GLN B 14 36.638 20.512 1.495 1.00 0.81 H ATOM 737 HB2 GLN B 14 34.824 18.367 2.499 1.00 1.03 H ATOM 738 HB3 GLN B 14 34.128 19.957 2.183 1.00 0.98 H ATOM 739 HG2 GLN B 14 35.225 19.883 -0.095 1.00 1.82 H ATOM 740 HG3 GLN B 14 35.642 18.201 0.235 1.00 1.83 H ATOM 741 HE21 GLN B 14 33.346 20.019 -1.315 1.00 2.39 H ATOM 742 HE22 GLN B 14 32.020 18.968 -1.189 1.00 2.41 H ATOM 743 N GLN B 15 35.943 20.327 4.707 1.00 0.53 N ATOM 744 CA GLN B 15 35.715 21.132 5.904 1.00 0.56 C ATOM 745 C GLN B 15 36.869 22.105 6.118 1.00 0.64 C ATOM 746 O GLN B 15 36.663 23.308 6.277 1.00 0.67 O ATOM 747 CB GLN B 15 35.584 20.234 7.136 1.00 0.56 C ATOM 748 CG GLN B 15 34.629 20.882 8.141 1.00 1.16 C ATOM 749 CD GLN B 15 33.880 19.797 8.905 1.00 1.51 C ATOM 750 OE1 GLN B 15 32.721 19.506 8.608 1.00 2.16 O ATOM 751 NE2 GLN B 15 34.478 19.173 9.883 1.00 2.08 N ATOM 752 H GLN B 15 36.033 19.355 4.788 1.00 0.49 H ATOM 753 HA GLN B 15 34.800 21.693 5.781 1.00 0.60 H ATOM 754 HB2 GLN B 15 35.196 19.270 6.839 1.00 0.88 H ATOM 755 HB3 GLN B 15 36.553 20.107 7.594 1.00 1.03 H ATOM 756 HG2 GLN B 15 35.194 21.488 8.834 1.00 1.78 H ATOM 757 HG3 GLN B 15 33.920 21.504 7.614 1.00 1.79 H ATOM 758 HE21 GLN B 15 35.401 19.405 10.120 1.00 2.45 H ATOM 759 HE22 GLN B 15 34.006 18.474 10.381 1.00 2.56 H ATOM 760 N ASP B 16 38.088 21.572 6.116 1.00 0.71 N ATOM 761 CA ASP B 16 39.274 22.404 6.308 1.00 0.83 C ATOM 762 C ASP B 16 39.379 23.440 5.193 1.00 0.89 C ATOM 763 O ASP B 16 39.723 24.598 5.430 1.00 0.95 O ATOM 764 CB ASP B 16 40.540 21.544 6.309 1.00 0.93 C ATOM 765 CG ASP B 16 41.584 22.174 7.224 1.00 1.15 C ATOM 766 OD1 ASP B 16 41.325 22.264 8.413 1.00 1.45 O ATOM 767 OD2 ASP B 16 42.627 22.559 6.722 1.00 1.78 O ATOM 768 H ASP B 16 38.193 20.607 5.982 1.00 0.70 H ATOM 769 HA ASP B 16 39.197 22.914 7.256 1.00 0.84 H ATOM 770 HB2 ASP B 16 40.300 20.552 6.666 1.00 0.86 H ATOM 771 HB3 ASP B 16 40.933 21.480 5.306 1.00 0.99 H ATOM 772 N ILE B 17 39.070 23.009 3.974 1.00 0.90 N ATOM 773 CA ILE B 17 39.122 23.902 2.820 1.00 1.00 C ATOM 774 C ILE B 17 38.124 25.046 2.998 1.00 0.94 C ATOM 775 O ILE B 17 38.500 26.191 3.244 1.00 0.97 O ATOM 776 CB ILE B 17 38.800 23.112 1.526 1.00 1.06 C ATOM 777 CG1 ILE B 17 40.060 22.379 1.062 1.00 1.19 C ATOM 778 CG2 ILE B 17 38.316 24.044 0.396 1.00 1.14 C ATOM 779 CD1 ILE B 17 39.703 21.416 -0.071 1.00 1.59 C ATOM 780 H ILE B 17 38.797 22.076 3.849 1.00 0.87 H ATOM 781 HA ILE B 17 40.117 24.314 2.740 1.00 1.10 H ATOM 782 HB ILE B 17 38.028 22.387 1.740 1.00 0.99 H ATOM 783 HG12 ILE B 17 40.785 23.099 0.710 1.00 1.46 H ATOM 784 HG13 ILE B 17 40.477 21.821 1.887 1.00 1.67 H ATOM 785 HG21 ILE B 17 38.869 24.972 0.433 1.00 1.58 H ATOM 786 HG22 ILE B 17 38.469 23.568 -0.559 1.00 1.48 H ATOM 787 HG23 ILE B 17 37.262 24.252 0.530 1.00 1.56 H ATOM 788 HD11 ILE B 17 38.769 20.923 0.156 1.00 2.18 H ATOM 789 HD12 ILE B 17 39.603 21.968 -0.994 1.00 1.99 H ATOM 790 HD13 ILE B 17 40.484 20.678 -0.176 1.00 1.99 H ATOM 791 N ASP B 18 36.845 24.713 2.832 1.00 0.87 N ATOM 792 CA ASP B 18 35.773 25.701 2.933 1.00 0.84 C ATOM 793 C ASP B 18 35.941 26.597 4.166 1.00 0.79 C ATOM 794 O ASP B 18 35.529 27.757 4.168 1.00 0.81 O ATOM 795 CB ASP B 18 34.413 24.997 3.004 1.00 0.80 C ATOM 796 CG ASP B 18 33.791 24.936 1.611 1.00 0.91 C ATOM 797 OD1 ASP B 18 34.233 24.117 0.823 1.00 1.51 O ATOM 798 OD2 ASP B 18 32.882 25.709 1.355 1.00 1.37 O ATOM 799 H ASP B 18 36.618 23.785 2.613 1.00 0.87 H ATOM 800 HA ASP B 18 35.803 26.315 2.044 1.00 0.92 H ATOM 801 HB2 ASP B 18 34.548 23.994 3.381 1.00 0.77 H ATOM 802 HB3 ASP B 18 33.756 25.542 3.665 1.00 0.76 H ATOM 803 N ASP B 19 36.553 26.043 5.210 1.00 0.75 N ATOM 804 CA ASP B 19 36.773 26.800 6.439 1.00 0.76 C ATOM 805 C ASP B 19 37.893 27.817 6.241 1.00 0.85 C ATOM 806 O ASP B 19 37.836 28.934 6.754 1.00 0.86 O ATOM 807 CB ASP B 19 37.147 25.862 7.589 1.00 0.76 C ATOM 808 CG ASP B 19 37.159 26.642 8.900 1.00 0.81 C ATOM 809 OD1 ASP B 19 37.912 27.597 8.991 1.00 1.55 O ATOM 810 OD2 ASP B 19 36.414 26.273 9.793 1.00 1.16 O ATOM 811 H ASP B 19 36.862 25.115 5.152 1.00 0.75 H ATOM 812 HA ASP B 19 35.864 27.324 6.697 1.00 0.73 H ATOM 813 HB2 ASP B 19 36.422 25.064 7.652 1.00 0.70 H ATOM 814 HB3 ASP B 19 38.127 25.447 7.411 1.00 0.82 H ATOM 815 N LEU B 20 38.912 27.414 5.488 1.00 0.93 N ATOM 816 CA LEU B 20 40.046 28.294 5.220 1.00 1.04 C ATOM 817 C LEU B 20 39.607 29.485 4.374 1.00 1.02 C ATOM 818 O LEU B 20 39.962 30.630 4.654 1.00 1.04 O ATOM 819 CB LEU B 20 41.148 27.536 4.475 1.00 1.19 C ATOM 820 CG LEU B 20 41.844 26.570 5.435 1.00 1.23 C ATOM 821 CD1 LEU B 20 42.445 25.408 4.642 1.00 1.35 C ATOM 822 CD2 LEU B 20 42.958 27.308 6.181 1.00 1.40 C ATOM 823 H LEU B 20 38.901 26.512 5.104 1.00 0.92 H ATOM 824 HA LEU B 20 40.442 28.654 6.157 1.00 1.06 H ATOM 825 HB2 LEU B 20 40.712 26.981 3.657 1.00 1.17 H ATOM 826 HB3 LEU B 20 41.870 28.239 4.088 1.00 1.31 H ATOM 827 HG LEU B 20 41.125 26.188 6.144 1.00 1.10 H ATOM 828 HD11 LEU B 20 41.737 25.075 3.898 1.00 1.70 H ATOM 829 HD12 LEU B 20 43.352 25.735 4.156 1.00 1.62 H ATOM 830 HD13 LEU B 20 42.671 24.593 5.314 1.00 1.79 H ATOM 831 HD21 LEU B 20 43.559 27.862 5.474 1.00 1.87 H ATOM 832 HD22 LEU B 20 42.522 27.990 6.895 1.00 1.68 H ATOM 833 HD23 LEU B 20 43.579 26.592 6.699 1.00 1.73 H ATOM 834 N LYS B 21 38.829 29.199 3.333 1.00 1.00 N ATOM 835 CA LYS B 21 38.342 30.252 2.446 1.00 1.00 C ATOM 836 C LYS B 21 37.466 31.236 3.214 1.00 0.89 C ATOM 837 O LYS B 21 37.466 32.436 2.937 1.00 0.90 O ATOM 838 CB LYS B 21 37.528 29.651 1.298 1.00 1.04 C ATOM 839 CG LYS B 21 38.461 29.309 0.135 1.00 1.35 C ATOM 840 CD LYS B 21 37.641 29.149 -1.147 1.00 1.74 C ATOM 841 CE LYS B 21 38.584 29.027 -2.345 1.00 2.00 C ATOM 842 NZ LYS B 21 37.818 29.249 -3.604 1.00 2.56 N ATOM 843 H LYS B 21 38.579 28.268 3.159 1.00 1.00 H ATOM 844 HA LYS B 21 39.188 30.782 2.033 1.00 1.08 H ATOM 845 HB2 LYS B 21 37.034 28.753 1.640 1.00 1.27 H ATOM 846 HB3 LYS B 21 36.790 30.365 0.967 1.00 1.28 H ATOM 847 HG2 LYS B 21 39.181 30.104 0.005 1.00 1.79 H ATOM 848 HG3 LYS B 21 38.978 28.385 0.346 1.00 1.80 H ATOM 849 HD2 LYS B 21 37.032 28.259 -1.075 1.00 2.25 H ATOM 850 HD3 LYS B 21 37.005 30.011 -1.278 1.00 2.12 H ATOM 851 HE2 LYS B 21 39.366 29.768 -2.265 1.00 2.36 H ATOM 852 HE3 LYS B 21 39.023 28.041 -2.360 1.00 2.24 H ATOM 853 HZ1 LYS B 21 37.186 30.065 -3.487 1.00 2.93 H ATOM 854 HZ2 LYS B 21 38.481 29.432 -4.385 1.00 2.87 H ATOM 855 HZ3 LYS B 21 37.252 28.404 -3.820 1.00 2.93 H ATOM 856 N ARG B 22 36.719 30.715 4.183 1.00 0.82 N ATOM 857 CA ARG B 22 35.839 31.559 4.987 1.00 0.73 C ATOM 858 C ARG B 22 36.661 32.487 5.875 1.00 0.69 C ATOM 859 O ARG B 22 36.323 33.657 6.057 1.00 0.62 O ATOM 860 CB ARG B 22 34.927 30.702 5.869 1.00 0.74 C ATOM 861 CG ARG B 22 33.624 31.458 6.142 1.00 1.37 C ATOM 862 CD ARG B 22 32.455 30.470 6.225 1.00 1.67 C ATOM 863 NE ARG B 22 32.028 30.292 7.615 1.00 2.29 N ATOM 864 CZ ARG B 22 31.269 31.197 8.250 1.00 2.87 C ATOM 865 NH1 ARG B 22 30.873 32.294 7.650 1.00 3.11 N ATOM 866 NH2 ARG B 22 30.919 30.983 9.489 1.00 3.73 N ATOM 867 H ARG B 22 36.760 29.752 4.359 1.00 0.84 H ATOM 868 HA ARG B 22 35.226 32.155 4.328 1.00 0.74 H ATOM 869 HB2 ARG B 22 34.705 29.773 5.363 1.00 1.13 H ATOM 870 HB3 ARG B 22 35.423 30.494 6.805 1.00 1.12 H ATOM 871 HG2 ARG B 22 33.709 31.993 7.077 1.00 2.04 H ATOM 872 HG3 ARG B 22 33.441 32.161 5.343 1.00 2.00 H ATOM 873 HD2 ARG B 22 31.627 30.851 5.648 1.00 2.02 H ATOM 874 HD3 ARG B 22 32.761 29.516 5.818 1.00 2.17 H ATOM 875 HE ARG B 22 32.306 29.484 8.097 1.00 2.74 H ATOM 876 HH11 ARG B 22 31.133 32.474 6.702 1.00 2.91 H ATOM 877 HH12 ARG B 22 30.307 32.954 8.144 1.00 3.83 H ATOM 878 HH21 ARG B 22 31.216 30.150 9.956 1.00 4.04 H ATOM 879 HH22 ARG B 22 30.353 31.652 9.971 1.00 4.28 H ATOM 880 N GLN B 23 37.747 31.951 6.426 1.00 0.78 N ATOM 881 CA GLN B 23 38.616 32.740 7.294 1.00 0.80 C ATOM 882 C GLN B 23 39.400 33.759 6.473 1.00 0.80 C ATOM 883 O GLN B 23 39.511 34.927 6.847 1.00 0.78 O ATOM 884 CB GLN B 23 39.601 31.833 8.035 1.00 0.91 C ATOM 885 CG GLN B 23 38.971 31.358 9.346 1.00 1.23 C ATOM 886 CD GLN B 23 38.986 32.498 10.359 1.00 1.28 C ATOM 887 OE1 GLN B 23 37.951 32.843 10.930 1.00 2.02 O ATOM 888 NE2 GLN B 23 40.109 33.110 10.619 1.00 1.47 N ATOM 889 H GLN B 23 37.968 31.014 6.244 1.00 0.87 H ATOM 890 HA GLN B 23 38.009 33.263 8.018 1.00 0.77 H ATOM 891 HB2 GLN B 23 39.836 30.978 7.417 1.00 1.19 H ATOM 892 HB3 GLN B 23 40.505 32.382 8.250 1.00 1.17 H ATOM 893 HG2 GLN B 23 37.952 31.050 9.165 1.00 1.75 H ATOM 894 HG3 GLN B 23 39.536 30.525 9.736 1.00 1.79 H ATOM 895 HE21 GLN B 23 40.933 32.836 10.165 1.00 1.83 H ATOM 896 HE22 GLN B 23 40.128 33.843 11.269 1.00 1.78 H ATOM 897 N ASN B 24 39.941 33.303 5.347 1.00 0.86 N ATOM 898 CA ASN B 24 40.713 34.182 4.474 1.00 0.88 C ATOM 899 C ASN B 24 39.821 35.275 3.896 1.00 0.78 C ATOM 900 O ASN B 24 40.264 36.400 3.662 1.00 0.77 O ATOM 901 CB ASN B 24 41.332 33.384 3.324 1.00 1.01 C ATOM 902 CG ASN B 24 42.232 32.287 3.885 1.00 1.22 C ATOM 903 OD1 ASN B 24 42.092 31.887 5.041 1.00 1.48 O ATOM 904 ND2 ASN B 24 43.159 31.770 3.126 1.00 1.28 N ATOM 905 H ASN B 24 39.819 32.363 5.099 1.00 0.90 H ATOM 906 HA ASN B 24 41.505 34.640 5.047 1.00 0.92 H ATOM 907 HB2 ASN B 24 40.545 32.937 2.733 1.00 1.00 H ATOM 908 HB3 ASN B 24 41.918 34.044 2.702 1.00 1.06 H ATOM 909 HD21 ASN B 24 43.271 32.087 2.206 1.00 1.32 H ATOM 910 HD22 ASN B 24 43.743 31.066 3.477 1.00 1.41 H ATOM 911 N ALA B 25 38.555 34.932 3.669 1.00 0.75 N ATOM 912 CA ALA B 25 37.601 35.891 3.118 1.00 0.70 C ATOM 913 C ALA B 25 37.431 37.076 4.062 1.00 0.57 C ATOM 914 O ALA B 25 37.650 38.227 3.684 1.00 0.55 O ATOM 915 CB ALA B 25 36.240 35.227 2.901 1.00 0.78 C ATOM 916 H ALA B 25 38.258 34.021 3.875 1.00 0.79 H ATOM 917 HA ALA B 25 37.971 36.248 2.168 1.00 0.75 H ATOM 918 HB1 ALA B 25 36.009 34.595 3.745 1.00 1.36 H ATOM 919 HB2 ALA B 25 35.480 35.989 2.802 1.00 1.18 H ATOM 920 HB3 ALA B 25 36.270 34.630 2.001 1.00 1.30 H ATOM 921 N LEU B 26 37.038 36.781 5.298 1.00 0.58 N ATOM 922 CA LEU B 26 36.840 37.829 6.295 1.00 0.53 C ATOM 923 C LEU B 26 38.152 38.558 6.568 1.00 0.47 C ATOM 924 O LEU B 26 38.166 39.755 6.856 1.00 0.42 O ATOM 925 CB LEU B 26 36.320 37.232 7.605 1.00 0.66 C ATOM 926 CG LEU B 26 34.802 37.072 7.526 1.00 1.12 C ATOM 927 CD1 LEU B 26 34.461 35.665 7.032 1.00 1.88 C ATOM 928 CD2 LEU B 26 34.195 37.284 8.915 1.00 1.79 C ATOM 929 H LEU B 26 36.879 35.845 5.543 1.00 0.69 H ATOM 930 HA LEU B 26 36.116 38.537 5.922 1.00 0.52 H ATOM 931 HB2 LEU B 26 36.777 36.267 7.766 1.00 1.02 H ATOM 932 HB3 LEU B 26 36.569 37.890 8.424 1.00 1.07 H ATOM 933 HG LEU B 26 34.398 37.802 6.839 1.00 1.81 H ATOM 934 HD11 LEU B 26 34.990 35.469 6.111 1.00 2.40 H ATOM 935 HD12 LEU B 26 34.754 34.941 7.777 1.00 2.32 H ATOM 936 HD13 LEU B 26 33.397 35.593 6.858 1.00 2.44 H ATOM 937 HD21 LEU B 26 34.773 36.739 9.647 1.00 2.24 H ATOM 938 HD22 LEU B 26 34.209 38.337 9.157 1.00 2.34 H ATOM 939 HD23 LEU B 26 33.176 36.926 8.922 1.00 2.26 H ATOM 940 N LEU B 27 39.255 37.821 6.474 1.00 0.56 N ATOM 941 CA LEU B 27 40.573 38.404 6.712 1.00 0.57 C ATOM 942 C LEU B 27 40.914 39.415 5.621 1.00 0.42 C ATOM 943 O LEU B 27 41.157 40.589 5.897 1.00 0.41 O ATOM 944 CB LEU B 27 41.645 37.314 6.734 1.00 0.75 C ATOM 945 CG LEU B 27 41.634 36.614 8.095 1.00 0.90 C ATOM 946 CD1 LEU B 27 42.337 35.261 7.980 1.00 1.19 C ATOM 947 CD2 LEU B 27 42.368 37.483 9.119 1.00 0.97 C ATOM 948 H LEU B 27 39.183 36.872 6.241 1.00 0.65 H ATOM 949 HA LEU B 27 40.566 38.907 7.667 1.00 0.62 H ATOM 950 HB2 LEU B 27 41.441 36.592 5.956 1.00 0.80 H ATOM 951 HB3 LEU B 27 42.615 37.758 6.568 1.00 0.80 H ATOM 952 HG LEU B 27 40.612 36.464 8.413 1.00 1.07 H ATOM 953 HD11 LEU B 27 43.092 35.311 7.209 1.00 1.75 H ATOM 954 HD12 LEU B 27 42.801 35.015 8.923 1.00 1.60 H ATOM 955 HD13 LEU B 27 41.613 34.500 7.725 1.00 1.57 H ATOM 956 HD21 LEU B 27 42.143 38.523 8.936 1.00 1.43 H ATOM 957 HD22 LEU B 27 42.046 37.215 10.114 1.00 1.43 H ATOM 958 HD23 LEU B 27 43.432 37.323 9.029 1.00 1.49 H ATOM 959 N GLU B 28 40.926 38.943 4.376 1.00 0.43 N ATOM 960 CA GLU B 28 41.239 39.810 3.239 1.00 0.40 C ATOM 961 C GLU B 28 40.274 40.995 3.182 1.00 0.34 C ATOM 962 O GLU B 28 40.679 42.135 2.960 1.00 0.40 O ATOM 963 CB GLU B 28 41.142 39.021 1.929 1.00 0.59 C ATOM 964 CG GLU B 28 41.603 39.897 0.760 1.00 1.33 C ATOM 965 CD GLU B 28 42.344 39.041 -0.261 1.00 1.75 C ATOM 966 OE1 GLU B 28 41.902 37.931 -0.507 1.00 2.19 O ATOM 967 OE2 GLU B 28 43.343 39.508 -0.783 1.00 2.31 O ATOM 968 H GLU B 28 40.722 37.998 4.218 1.00 0.54 H ATOM 969 HA GLU B 28 42.247 40.184 3.348 1.00 0.42 H ATOM 970 HB2 GLU B 28 41.770 38.144 1.992 1.00 1.01 H ATOM 971 HB3 GLU B 28 40.118 38.719 1.767 1.00 1.15 H ATOM 972 HG2 GLU B 28 40.741 40.352 0.293 1.00 1.85 H ATOM 973 HG3 GLU B 28 42.262 40.669 1.128 1.00 1.78 H ATOM 974 N GLN B 29 38.991 40.707 3.387 1.00 0.37 N ATOM 975 CA GLN B 29 37.964 41.751 3.359 1.00 0.49 C ATOM 976 C GLN B 29 38.285 42.856 4.366 1.00 0.52 C ATOM 977 O GLN B 29 37.949 44.022 4.157 1.00 0.71 O ATOM 978 CB GLN B 29 36.593 41.160 3.693 1.00 0.57 C ATOM 979 CG GLN B 29 35.500 42.001 3.032 1.00 1.05 C ATOM 980 CD GLN B 29 34.183 41.233 3.056 1.00 1.48 C ATOM 981 OE1 GLN B 29 33.901 40.500 4.004 1.00 2.17 O ATOM 982 NE2 GLN B 29 33.351 41.357 2.058 1.00 2.08 N ATOM 983 H GLN B 29 38.729 39.779 3.557 1.00 0.41 H ATOM 984 HA GLN B 29 37.927 42.179 2.369 1.00 0.61 H ATOM 985 HB2 GLN B 29 36.540 40.145 3.325 1.00 0.88 H ATOM 986 HB3 GLN B 29 36.450 41.163 4.763 1.00 0.86 H ATOM 987 HG2 GLN B 29 35.385 42.930 3.572 1.00 1.63 H ATOM 988 HG3 GLN B 29 35.774 42.210 2.009 1.00 1.68 H ATOM 989 HE21 GLN B 29 33.575 41.940 1.303 1.00 2.36 H ATOM 990 HE22 GLN B 29 32.502 40.867 2.064 1.00 2.66 H ATOM 991 N GLN B 30 38.944 42.476 5.457 1.00 0.46 N ATOM 992 CA GLN B 30 39.311 43.441 6.490 1.00 0.64 C ATOM 993 C GLN B 30 40.691 44.024 6.202 1.00 0.67 C ATOM 994 O GLN B 30 40.962 45.190 6.487 1.00 0.84 O ATOM 995 CB GLN B 30 39.328 42.773 7.866 1.00 0.73 C ATOM 996 CG GLN B 30 39.211 43.842 8.955 1.00 1.25 C ATOM 997 CD GLN B 30 38.552 43.239 10.191 1.00 1.54 C ATOM 998 OE1 GLN B 30 39.028 42.241 10.731 1.00 2.13 O ATOM 999 NE2 GLN B 30 37.475 43.793 10.677 1.00 2.15 N ATOM 1000 H GLN B 30 39.188 41.533 5.570 1.00 0.39 H ATOM 1001 HA GLN B 30 38.586 44.241 6.498 1.00 0.77 H ATOM 1002 HB2 GLN B 30 38.497 42.087 7.943 1.00 0.98 H ATOM 1003 HB3 GLN B 30 40.254 42.234 7.993 1.00 1.06 H ATOM 1004 HG2 GLN B 30 40.196 44.204 9.211 1.00 1.83 H ATOM 1005 HG3 GLN B 30 38.609 44.662 8.592 1.00 1.95 H ATOM 1006 HE21 GLN B 30 37.096 44.588 10.247 1.00 2.49 H ATOM 1007 HE22 GLN B 30 37.044 43.413 11.471 1.00 2.67 H ATOM 1008 N VAL B 31 41.559 43.194 5.630 1.00 0.54 N ATOM 1009 CA VAL B 31 42.914 43.629 5.301 1.00 0.63 C ATOM 1010 C VAL B 31 42.888 44.597 4.119 1.00 0.70 C ATOM 1011 O VAL B 31 43.708 45.511 4.029 1.00 0.85 O ATOM 1012 CB VAL B 31 43.788 42.416 4.951 1.00 0.60 C ATOM 1013 CG1 VAL B 31 45.230 42.867 4.694 1.00 0.80 C ATOM 1014 CG2 VAL B 31 43.767 41.417 6.117 1.00 0.72 C ATOM 1015 H VAL B 31 41.285 42.276 5.426 1.00 0.44 H ATOM 1016 HA VAL B 31 43.340 44.131 6.157 1.00 0.77 H ATOM 1017 HB VAL B 31 43.399 41.941 4.063 1.00 0.62 H ATOM 1018 HG11 VAL B 31 45.477 43.681 5.359 1.00 1.22 H ATOM 1019 HG12 VAL B 31 45.902 42.040 4.871 1.00 1.40 H ATOM 1020 HG13 VAL B 31 45.326 43.196 3.670 1.00 1.38 H ATOM 1021 HG21 VAL B 31 42.931 41.634 6.766 1.00 1.27 H ATOM 1022 HG22 VAL B 31 43.669 40.415 5.728 1.00 1.26 H ATOM 1023 HG23 VAL B 31 44.686 41.495 6.679 1.00 1.30 H ATOM 1024 N ARG B 32 41.936 44.386 3.215 1.00 0.68 N ATOM 1025 CA ARG B 32 41.810 45.246 2.041 1.00 0.86 C ATOM 1026 C ARG B 32 41.422 46.661 2.457 1.00 1.02 C ATOM 1027 O ARG B 32 41.887 47.643 1.879 1.00 1.19 O ATOM 1028 CB ARG B 32 40.748 44.698 1.087 1.00 0.90 C ATOM 1029 CG ARG B 32 41.124 45.053 -0.353 1.00 1.59 C ATOM 1030 CD ARG B 32 39.865 45.070 -1.221 1.00 2.06 C ATOM 1031 NE ARG B 32 40.193 45.441 -2.599 1.00 2.58 N ATOM 1032 CZ ARG B 32 39.292 45.367 -3.590 1.00 3.15 C ATOM 1033 NH1 ARG B 32 38.067 44.956 -3.368 1.00 3.48 N ATOM 1034 NH2 ARG B 32 39.642 45.712 -4.800 1.00 3.84 N ATOM 1035 H ARG B 32 41.309 43.643 3.339 1.00 0.58 H ATOM 1036 HA ARG B 32 42.758 45.278 1.527 1.00 0.93 H ATOM 1037 HB2 ARG B 32 40.689 43.624 1.191 1.00 1.23 H ATOM 1038 HB3 ARG B 32 39.790 45.136 1.325 1.00 1.28 H ATOM 1039 HG2 ARG B 32 41.589 46.028 -0.373 1.00 2.18 H ATOM 1040 HG3 ARG B 32 41.814 44.317 -0.737 1.00 2.19 H ATOM 1041 HD2 ARG B 32 39.416 44.088 -1.215 1.00 2.49 H ATOM 1042 HD3 ARG B 32 39.163 45.784 -0.814 1.00 2.47 H ATOM 1043 HE ARG B 32 41.099 45.753 -2.804 1.00 2.91 H ATOM 1044 HH11 ARG B 32 37.783 44.688 -2.448 1.00 3.35 H ATOM 1045 HH12 ARG B 32 37.413 44.910 -4.123 1.00 4.15 H ATOM 1046 HH21 ARG B 32 40.574 46.027 -4.980 1.00 4.07 H ATOM 1047 HH22 ARG B 32 38.978 45.661 -5.546 1.00 4.36 H ATOM 1048 N ALA B 33 40.565 46.753 3.469 1.00 1.01 N ATOM 1049 CA ALA B 33 40.117 48.053 3.961 1.00 1.23 C ATOM 1050 C ALA B 33 41.241 48.749 4.722 1.00 1.39 C ATOM 1051 O ALA B 33 41.351 49.975 4.711 1.00 1.74 O ATOM 1052 CB ALA B 33 38.913 47.890 4.889 1.00 1.23 C ATOM 1053 H ALA B 33 40.228 45.935 3.892 1.00 0.91 H ATOM 1054 HA ALA B 33 39.830 48.666 3.120 1.00 1.36 H ATOM 1055 HB1 ALA B 33 39.160 47.200 5.682 1.00 1.71 H ATOM 1056 HB2 ALA B 33 38.654 48.849 5.314 1.00 1.57 H ATOM 1057 HB3 ALA B 33 38.074 47.508 4.326 1.00 1.52 H ATOM 1058 N LEU B 34 42.075 47.952 5.383 1.00 1.31 N ATOM 1059 CA LEU B 34 43.191 48.500 6.149 1.00 1.52 C ATOM 1060 C LEU B 34 44.499 48.328 5.383 1.00 1.67 C ATOM 1061 O LEU B 34 45.229 47.358 5.589 1.00 1.86 O ATOM 1062 CB LEU B 34 43.310 47.795 7.502 1.00 1.54 C ATOM 1063 CG LEU B 34 42.379 48.468 8.512 1.00 1.80 C ATOM 1064 CD1 LEU B 34 40.988 47.838 8.423 1.00 2.55 C ATOM 1065 CD2 LEU B 34 42.935 48.274 9.924 1.00 2.28 C ATOM 1066 H LEU B 34 41.939 46.982 5.356 1.00 1.26 H ATOM 1067 HA LEU B 34 43.018 49.552 6.318 1.00 1.74 H ATOM 1068 HB2 LEU B 34 43.034 46.756 7.392 1.00 1.41 H ATOM 1069 HB3 LEU B 34 44.328 47.862 7.855 1.00 1.68 H ATOM 1070 HG LEU B 34 42.311 49.523 8.291 1.00 2.10 H ATOM 1071 HD11 LEU B 34 41.080 46.797 8.151 1.00 3.13 H ATOM 1072 HD12 LEU B 34 40.495 47.918 9.380 1.00 2.86 H ATOM 1073 HD13 LEU B 34 40.406 48.356 7.674 1.00 2.98 H ATOM 1074 HD21 LEU B 34 44.013 48.345 9.900 1.00 2.74 H ATOM 1075 HD22 LEU B 34 42.539 49.039 10.575 1.00 2.62 H ATOM 1076 HD23 LEU B 34 42.647 47.301 10.294 1.00 2.70 H HETATM 1077 N NH2 B 35 44.842 49.223 4.498 1.00 2.24 N HETATM 1078 HN1 NH2 B 35 44.262 49.996 4.332 1.00 2.74 H HETATM 1079 HN2 NH2 B 35 45.680 49.124 4.000 1.00 2.44 H TER 1080 NH2 B 35 CONECT 1 2 3 7 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 7 1 CONECT 12 563 CONECT 531 548 CONECT 548 531 549 550 CONECT 549 548 CONECT 550 548 CONECT 552 553 554 558 CONECT 553 552 CONECT 554 552 555 556 557 CONECT 555 554 CONECT 556 554 CONECT 557 554 CONECT 558 552 CONECT 563 12 CONECT 1060 1077 CONECT 1077 1060 1078 1079 CONECT 1078 1077 CONECT 1079 1077 MASTER 75 0 4 2 0 0 2 6 1078 2 24 6 END