HEADER HORMONE 05-NOV-08 SMS20053 TITLE SOLUTION NMR STRUCTURE OF INSULIN A-CHAIN VARIANT PEPTIDE COMPND MOL_ID: 1; COMPND 2 MOLECULE: INSULIN A CHAIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDES 88-104; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: INSULIN A-CHAIN VARIANT PEPTIDE SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 4 ORGANISM_COMMON: HUMAN; SOURCE 5 ORGANISM_TAXID: 9606; SOURCE 6 OTHER_DETAILS: SYNTHESIZED USING STANDARD FMOC-CHEMISTRY KEYWDS KR-A1-15, INSULIN A-CHAIN VARIANT, HORMONE EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR A.K.SHARMA,Y.ZHANG,Y.LING,A.B.GREER,D.A.HAFLER,S.C.KENT,A.C.RIGBY JRNL AUTH A.K.SHARMA,Y.LING,A.B.GREER,D.A.HAFLER,S.C.KENT,Y.ZHANG, JRNL AUTH 2 A.C.RIGBY JRNL TITL EVALUATING THE INTRINSIC CYSTEINE REDOX-DEPENDENT STATES OF JRNL TITL 2 THE A-CHAIN OF HUMAN INSULIN USING NMR SPECTROSCOPY, QUANTUM JRNL TITL 3 CHEMICAL CALCULATIONS, AND MASS SPECTROMETRY JRNL REF J.PHYS.CHEM.B V. 114 585 2010 JRNL REFN ISSN 1089-5647 JRNL PMID 19954153 JRNL DOI 10.1021/JP908729H REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA 2.1 REMARK 3 AUTHORS : GUNTERT, MUMENTHALER AND WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: CYANA-2.1 WITH TORSION ANGLE DYNAMICS REMARK 3 METHOD WAS USED. STRUCTURE ENSEMBLE WAS SELECTED USING LEAST REMARK 3 TARGET FUNCTION VALUE CRITERIA REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 29-SEP-10. REMARK 100 THE BMRB ID CODE IS SMS20053. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 2.16MM INSULIN A-CHAIN VARIANT REMARK 210 PEPTIDE; 80% DMSO-D6/20% H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D DQF-COSY; 2D REMARK 210 1H-1H NOESY; 2D 1H-1H ROESY; 2D REMARK 210 1H-13C HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 2007.030.16.06, NMRDRAW REMARK 210 VERSION 3.0 REV 2007.068.09.07, REMARK 210 ANSIG V3.3, CYANA 2.1 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 30 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 1 ILE A 4 -60.37 -91.98 REMARK 500 1 CYS A 8 39.14 -94.36 REMARK 500 1 THR A 10 -73.94 -79.96 REMARK 500 1 SER A 11 41.27 -174.83 REMARK 500 2 ARG A 2 -170.86 52.44 REMARK 500 2 CYS A 8 50.41 -117.08 REMARK 500 3 ARG A 2 -169.77 -105.02 REMARK 500 3 ILE A 4 -60.29 -91.49 REMARK 500 3 CYS A 8 41.94 -100.17 REMARK 500 4 ARG A 2 -169.57 -105.34 REMARK 500 4 CYS A 8 38.81 -94.31 REMARK 500 4 THR A 10 -73.90 -81.89 REMARK 500 4 SER A 11 44.14 -171.92 REMARK 500 5 ARG A 2 -169.79 -105.02 REMARK 500 5 CYS A 8 39.03 -94.47 REMARK 500 5 THR A 10 -74.75 -81.37 REMARK 500 5 SER A 11 48.03 -168.82 REMARK 500 6 ARG A 2 -169.72 -104.58 REMARK 500 6 CYS A 8 38.43 -94.77 REMARK 500 6 THR A 10 -74.87 -80.30 REMARK 500 6 SER A 11 48.36 -169.01 REMARK 500 8 CYS A 8 44.77 -105.73 REMARK 500 9 ARG A 2 -171.76 -67.62 REMARK 500 10 CYS A 8 31.12 -95.95 REMARK 500 10 THR A 10 -74.09 -81.89 REMARK 500 10 SER A 11 49.11 -168.35 REMARK 500 11 VAL A 5 -59.79 -137.22 REMARK 500 12 ARG A 2 -171.69 53.38 REMARK 500 12 VAL A 5 -57.83 -150.28 REMARK 500 12 CYS A 8 38.60 -96.46 REMARK 500 13 ARG A 2 -169.76 -105.59 REMARK 500 13 VAL A 5 -41.68 -149.98 REMARK 500 13 CYS A 8 31.16 -99.35 REMARK 500 13 THR A 10 -74.77 -76.99 REMARK 500 13 SER A 11 46.01 -168.41 REMARK 500 14 VAL A 5 -40.86 -137.13 REMARK 500 14 THR A 10 -74.62 -76.31 REMARK 500 14 SER A 11 47.86 -168.66 REMARK 500 15 ARG A 2 -169.95 -103.49 REMARK 500 15 VAL A 5 -52.90 -150.27 REMARK 500 15 CYS A 8 35.33 -95.59 REMARK 500 15 THR A 10 -73.52 -77.70 REMARK 500 15 SER A 11 42.25 -173.19 REMARK 500 16 ARG A 2 -169.73 -105.52 REMARK 500 16 VAL A 5 -40.97 -137.11 REMARK 500 16 THR A 10 49.47 -88.76 REMARK 500 17 VAL A 5 -41.22 -137.08 REMARK 500 17 THR A 10 -74.40 -76.69 REMARK 500 17 SER A 11 46.07 -168.60 REMARK 500 18 ARG A 2 -169.77 -103.84 REMARK 500 REMARK 500 THIS ENTRY HAS 59 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20053 RELATED DB: BMRB REMARK 900 RELATED ID: 20052 RELATED DB: BMRB REMARK 900 INSULIN A-CHAIN PEPTIDE DBREF A 1 17 UNP P01308 INS_HUMAN 88 104 SEQRES 1 A 17 LYS ARG GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SEQRES 2 A 17 SER LEU TYR GLN HELIX 1 1 ILE A 12 GLN A 17 1 6 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 MODEL 1 ATOM 1 N LYS A 1 9.176 -1.676 3.678 1.00 0.00 N ATOM 2 CA LYS A 1 9.444 -1.469 2.260 1.00 0.00 C ATOM 3 C LYS A 1 8.237 -0.850 1.562 1.00 0.00 C ATOM 4 O LYS A 1 8.048 -1.024 0.357 1.00 0.00 O ATOM 5 CB LYS A 1 9.809 -2.795 1.589 1.00 0.00 C ATOM 6 CG LYS A 1 8.682 -3.814 1.601 1.00 0.00 C ATOM 7 CD LYS A 1 9.136 -5.142 2.183 1.00 0.00 C ATOM 8 CE LYS A 1 9.735 -6.043 1.114 1.00 0.00 C ATOM 9 NZ LYS A 1 9.946 -7.430 1.614 1.00 0.00 N ATOM 10 H1 LYS A 1 8.262 -1.884 3.965 1.00 0.00 H ATOM 11 HA LYS A 1 10.280 -0.791 2.175 1.00 0.00 H ATOM 12 HB3 LYS A 1 10.657 -3.223 2.104 1.00 0.00 H ATOM 13 HG3 LYS A 1 8.342 -3.973 0.588 1.00 0.00 H ATOM 14 HD3 LYS A 1 8.285 -5.639 2.628 1.00 0.00 H ATOM 15 HE3 LYS A 1 10.685 -5.632 0.806 1.00 0.00 H ATOM 16 HZ1 LYS A 1 10.837 -7.814 1.239 1.00 0.00 H ATOM 17 HZ2 LYS A 1 9.162 -8.042 1.309 1.00 0.00 H ATOM 18 HZ3 LYS A 1 9.990 -7.433 2.653 1.00 0.00 H ATOM 19 N ARG A 2 7.425 -0.126 2.325 1.00 0.00 N ATOM 20 CA ARG A 2 6.236 0.518 1.779 1.00 0.00 C ATOM 21 C ARG A 2 6.474 2.011 1.574 1.00 0.00 C ATOM 22 O ARG A 2 7.601 2.492 1.684 1.00 0.00 O ATOM 23 CB ARG A 2 5.042 0.304 2.711 1.00 0.00 C ATOM 24 CG ARG A 2 4.788 -1.155 3.052 1.00 0.00 C ATOM 25 CD ARG A 2 5.590 -1.590 4.268 1.00 0.00 C ATOM 26 NE ARG A 2 4.744 -1.781 5.443 1.00 0.00 N ATOM 27 CZ ARG A 2 5.097 -2.514 6.492 1.00 0.00 C ATOM 28 NH1 ARG A 2 6.275 -3.121 6.514 1.00 0.00 N ATOM 29 NH2 ARG A 2 4.272 -2.639 7.523 1.00 0.00 N ATOM 30 H ARG A 2 7.629 -0.025 3.278 1.00 0.00 H ATOM 31 HA ARG A 2 6.022 0.065 0.823 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.156 0.700 2.236 1.00 0.00 H ATOM 33 HG3 ARG A 2 5.070 -1.766 2.207 1.00 0.00 H ATOM 34 HD3 ARG A 2 6.328 -0.832 4.486 1.00 0.00 H ATOM 35 HE ARG A 2 3.869 -1.341 5.447 1.00 0.00 H ATOM 36 HH11 ARG A 2 6.900 -3.027 5.739 1.00 0.00 H ATOM 37 HH12 ARG A 2 6.540 -3.671 7.306 1.00 0.00 H ATOM 38 HH21 ARG A 2 3.383 -2.183 7.511 1.00 0.00 H ATOM 39 HH22 ARG A 2 4.539 -3.192 8.313 1.00 0.00 H ATOM 40 N GLY A 3 5.404 2.740 1.273 1.00 0.00 N ATOM 41 CA GLY A 3 5.516 4.170 1.057 1.00 0.00 C ATOM 42 C GLY A 3 5.521 4.535 -0.415 1.00 0.00 C ATOM 43 O GLY A 3 6.246 5.437 -0.836 1.00 0.00 O ATOM 44 H GLY A 3 4.529 2.303 1.199 1.00 0.00 H ATOM 45 HA2 GLY A 3 4.685 4.664 1.535 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.435 4.519 1.504 1.00 0.00 H ATOM 47 N ILE A 4 4.714 3.830 -1.200 1.00 0.00 N ATOM 48 CA ILE A 4 4.629 4.084 -2.633 1.00 0.00 C ATOM 49 C ILE A 4 3.520 5.084 -2.950 1.00 0.00 C ATOM 50 O ILE A 4 3.774 6.155 -3.500 1.00 0.00 O ATOM 51 CB ILE A 4 4.375 2.786 -3.421 1.00 0.00 C ATOM 52 CG1 ILE A 4 5.249 1.655 -2.878 1.00 0.00 C ATOM 53 CG2 ILE A 4 4.642 3.005 -4.903 1.00 0.00 C ATOM 54 CD1 ILE A 4 4.572 0.829 -1.807 1.00 0.00 C ATOM 55 H ILE A 4 4.161 3.123 -0.807 1.00 0.00 H ATOM 56 HA ILE A 4 5.574 4.498 -2.955 1.00 0.00 H ATOM 57 HB ILE A 4 3.336 2.517 -3.303 1.00 0.00 H ATOM 58 HG13 ILE A 4 6.149 2.077 -2.454 1.00 0.00 H ATOM 59 HG21 ILE A 4 3.715 2.927 -5.451 1.00 0.00 H ATOM 60 HG22 ILE A 4 5.064 3.988 -5.051 1.00 0.00 H ATOM 61 HG23 ILE A 4 5.335 2.257 -5.258 1.00 0.00 H ATOM 62 HD11 ILE A 4 4.286 -0.128 -2.217 1.00 0.00 H ATOM 63 HD12 ILE A 4 5.255 0.677 -0.983 1.00 0.00 H ATOM 64 HD13 ILE A 4 3.692 1.346 -1.455 1.00 0.00 H ATOM 65 N VAL A 5 2.290 4.725 -2.595 1.00 0.00 N ATOM 66 CA VAL A 5 1.143 5.591 -2.839 1.00 0.00 C ATOM 67 C VAL A 5 0.551 6.100 -1.529 1.00 0.00 C ATOM 68 O VAL A 5 0.007 7.203 -1.470 1.00 0.00 O ATOM 69 CB VAL A 5 0.045 4.859 -3.634 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.013 5.841 -4.111 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.652 4.104 -4.807 1.00 0.00 C ATOM 72 H VAL A 5 2.151 3.859 -2.160 1.00 0.00 H ATOM 73 HA VAL A 5 1.479 6.436 -3.423 1.00 0.00 H ATOM 74 HB VAL A 5 -0.429 4.143 -2.978 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.153 6.610 -3.366 1.00 0.00 H ATOM 76 HG12 VAL A 5 -0.694 6.291 -5.040 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.946 5.317 -4.267 1.00 0.00 H ATOM 78 HG21 VAL A 5 1.137 4.802 -5.473 1.00 0.00 H ATOM 79 HG22 VAL A 5 1.378 3.393 -4.439 1.00 0.00 H ATOM 80 HG23 VAL A 5 -0.128 3.580 -5.341 1.00 0.00 H ATOM 81 N GLU A 6 0.663 5.291 -0.481 1.00 0.00 N ATOM 82 CA GLU A 6 0.139 5.661 0.829 1.00 0.00 C ATOM 83 C GLU A 6 -1.339 6.030 0.739 1.00 0.00 C ATOM 84 O GLU A 6 -1.841 6.822 1.537 1.00 0.00 O ATOM 85 CB GLU A 6 0.934 6.831 1.410 1.00 0.00 C ATOM 86 CG GLU A 6 2.440 6.649 1.316 1.00 0.00 C ATOM 87 CD GLU A 6 3.141 6.906 2.636 1.00 0.00 C ATOM 88 OE1 GLU A 6 2.729 6.310 3.653 1.00 0.00 O ATOM 89 OE2 GLU A 6 4.103 7.704 2.652 1.00 0.00 O ATOM 90 H GLU A 6 1.108 4.425 -0.590 1.00 0.00 H ATOM 91 HA GLU A 6 0.244 4.808 1.481 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.671 6.948 2.450 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.828 7.337 0.581 1.00 0.00 H ATOM 94 N GLN A 7 -2.029 5.453 -0.239 1.00 0.00 N ATOM 95 CA GLN A 7 -3.449 5.723 -0.435 1.00 0.00 C ATOM 96 C GLN A 7 -4.268 4.443 -0.312 1.00 0.00 C ATOM 97 O GLN A 7 -4.033 3.472 -1.035 1.00 0.00 O ATOM 98 CB GLN A 7 -3.683 6.364 -1.804 1.00 0.00 C ATOM 99 CG GLN A 7 -3.286 7.830 -1.865 1.00 0.00 C ATOM 100 CD GLN A 7 -3.771 8.514 -3.128 1.00 0.00 C ATOM 101 OE1 GLN A 7 -3.099 8.488 -4.159 1.00 0.00 O ATOM 102 NE2 GLN A 7 -4.945 9.131 -3.054 1.00 0.00 N ATOM 103 H GLN A 7 -1.573 4.831 -0.844 1.00 0.00 H ATOM 104 HA GLN A 7 -3.764 6.412 0.334 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.732 6.287 -2.049 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.209 7.899 -1.827 1.00 0.00 H ATOM 107 HE21 GLN A 7 -5.424 9.111 -2.199 1.00 0.00 H ATOM 108 HE22 GLN A 7 -5.282 9.582 -3.855 1.00 0.00 H ATOM 109 N CYS A 8 -5.230 4.446 0.604 1.00 0.00 N ATOM 110 CA CYS A 8 -6.084 3.285 0.822 1.00 0.00 C ATOM 111 C CYS A 8 -7.373 3.399 0.016 1.00 0.00 C ATOM 112 O CYS A 8 -8.449 3.036 0.493 1.00 0.00 O ATOM 113 CB CYS A 8 -6.408 3.135 2.308 1.00 0.00 C ATOM 114 SG CYS A 8 -7.256 4.563 3.025 1.00 0.00 S ATOM 115 H CYS A 8 -5.368 5.250 1.148 1.00 0.00 H ATOM 116 HA CYS A 8 -5.543 2.410 0.491 1.00 0.00 H ATOM 117 HB3 CYS A 8 -5.490 2.988 2.857 1.00 0.00 H ATOM 118 HG CYS A 8 -8.542 4.467 2.725 1.00 0.00 H ATOM 119 N CYS A 9 -7.257 3.906 -1.206 1.00 0.00 N ATOM 120 CA CYS A 9 -8.415 4.071 -2.079 1.00 0.00 C ATOM 121 C CYS A 9 -8.244 3.272 -3.365 1.00 0.00 C ATOM 122 O CYS A 9 -9.220 2.804 -3.954 1.00 0.00 O ATOM 123 CB CYS A 9 -8.626 5.551 -2.407 1.00 0.00 C ATOM 124 SG CYS A 9 -10.030 6.304 -1.553 1.00 0.00 S ATOM 125 H CYS A 9 -6.373 4.177 -1.531 1.00 0.00 H ATOM 126 HA CYS A 9 -9.281 3.702 -1.552 1.00 0.00 H ATOM 127 HB3 CYS A 9 -8.789 5.656 -3.469 1.00 0.00 H ATOM 128 HG CYS A 9 -11.091 6.194 -2.338 1.00 0.00 H ATOM 129 N THR A 10 -6.998 3.118 -3.801 1.00 0.00 N ATOM 130 CA THR A 10 -6.699 2.378 -5.019 1.00 0.00 C ATOM 131 C THR A 10 -6.713 0.874 -4.766 1.00 0.00 C ATOM 132 O THR A 10 -7.642 0.175 -5.168 1.00 0.00 O ATOM 133 CB THR A 10 -5.329 2.777 -5.598 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.338 2.766 -4.564 1.00 0.00 O ATOM 135 CG2 THR A 10 -5.391 4.159 -6.233 1.00 0.00 C ATOM 136 H THR A 10 -6.263 3.514 -3.289 1.00 0.00 H ATOM 137 HA THR A 10 -7.458 2.616 -5.749 1.00 0.00 H ATOM 138 HB THR A 10 -5.053 2.060 -6.358 1.00 0.00 H ATOM 139 HG1 THR A 10 -3.476 2.949 -4.945 1.00 0.00 H ATOM 140 HG21 THR A 10 -4.434 4.646 -6.125 1.00 0.00 H ATOM 141 HG22 THR A 10 -6.152 4.746 -5.740 1.00 0.00 H ATOM 142 HG23 THR A 10 -5.632 4.063 -7.281 1.00 0.00 H ATOM 143 N SER A 11 -5.675 0.382 -4.097 1.00 0.00 N ATOM 144 CA SER A 11 -5.566 -1.040 -3.794 1.00 0.00 C ATOM 145 C SER A 11 -4.351 -1.315 -2.913 1.00 0.00 C ATOM 146 O SER A 11 -3.633 -2.296 -3.115 1.00 0.00 O ATOM 147 CB SER A 11 -5.468 -1.853 -5.085 1.00 0.00 C ATOM 148 OG SER A 11 -6.245 -3.035 -5.004 1.00 0.00 O ATOM 149 H SER A 11 -4.964 0.990 -3.804 1.00 0.00 H ATOM 150 HA SER A 11 -6.456 -1.334 -3.259 1.00 0.00 H ATOM 151 HB3 SER A 11 -4.436 -2.126 -5.258 1.00 0.00 H ATOM 152 HG SER A 11 -5.670 -3.801 -5.063 1.00 0.00 H ATOM 153 N ILE A 12 -4.127 -0.444 -1.935 1.00 0.00 N ATOM 154 CA ILE A 12 -3.000 -0.594 -1.022 1.00 0.00 C ATOM 155 C ILE A 12 -2.976 -1.987 -0.403 1.00 0.00 C ATOM 156 O ILE A 12 -1.914 -2.500 -0.047 1.00 0.00 O ATOM 157 CB ILE A 12 -3.046 0.455 0.105 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.670 0.591 0.761 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.096 0.078 1.138 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.096 1.989 0.679 1.00 0.00 C ATOM 161 H ILE A 12 -4.735 0.316 -1.823 1.00 0.00 H ATOM 162 HA ILE A 12 -2.092 -0.446 -1.587 1.00 0.00 H ATOM 163 HB ILE A 12 -3.325 1.404 -0.327 1.00 0.00 H ATOM 164 HG13 ILE A 12 -0.980 -0.081 0.272 1.00 0.00 H ATOM 165 HG21 ILE A 12 -5.041 -0.092 0.645 1.00 0.00 H ATOM 166 HG22 ILE A 12 -3.791 -0.823 1.650 1.00 0.00 H ATOM 167 HG23 ILE A 12 -4.202 0.880 1.854 1.00 0.00 H ATOM 168 HD11 ILE A 12 -0.130 2.010 1.163 1.00 0.00 H ATOM 169 HD12 ILE A 12 -0.985 2.272 -0.358 1.00 0.00 H ATOM 170 HD13 ILE A 12 -1.762 2.681 1.173 1.00 0.00 H ATOM 171 N CYS A 13 -4.150 -2.594 -0.279 1.00 0.00 N ATOM 172 CA CYS A 13 -4.263 -3.929 0.296 1.00 0.00 C ATOM 173 C CYS A 13 -3.348 -4.913 -0.427 1.00 0.00 C ATOM 174 O CYS A 13 -2.905 -5.904 0.152 1.00 0.00 O ATOM 175 CB CYS A 13 -5.712 -4.417 0.226 1.00 0.00 C ATOM 176 SG CYS A 13 -6.235 -5.387 1.659 1.00 0.00 S ATOM 177 H CYS A 13 -4.961 -2.134 -0.581 1.00 0.00 H ATOM 178 HA CYS A 13 -3.963 -3.871 1.331 1.00 0.00 H ATOM 179 HB3 CYS A 13 -5.834 -5.033 -0.652 1.00 0.00 H ATOM 180 HG CYS A 13 -6.345 -6.651 1.279 1.00 0.00 H ATOM 181 N SER A 14 -3.070 -4.631 -1.696 1.00 0.00 N ATOM 182 CA SER A 14 -2.212 -5.493 -2.500 1.00 0.00 C ATOM 183 C SER A 14 -0.838 -5.646 -1.854 1.00 0.00 C ATOM 184 O SER A 14 -0.126 -6.618 -2.106 1.00 0.00 O ATOM 185 CB SER A 14 -2.065 -4.926 -3.913 1.00 0.00 C ATOM 186 OG SER A 14 -0.969 -5.519 -4.589 1.00 0.00 O ATOM 187 H SER A 14 -3.454 -3.826 -2.101 1.00 0.00 H ATOM 188 HA SER A 14 -2.680 -6.465 -2.558 1.00 0.00 H ATOM 189 HB3 SER A 14 -1.901 -3.860 -3.854 1.00 0.00 H ATOM 190 HG SER A 14 -1.144 -5.532 -5.532 1.00 0.00 H ATOM 191 N LEU A 15 -0.472 -4.679 -1.021 1.00 0.00 N ATOM 192 CA LEU A 15 0.816 -4.703 -0.338 1.00 0.00 C ATOM 193 C LEU A 15 0.630 -4.755 1.175 1.00 0.00 C ATOM 194 O LEU A 15 1.470 -5.294 1.896 1.00 0.00 O ATOM 195 CB LEU A 15 1.642 -3.474 -0.719 1.00 0.00 C ATOM 196 CG LEU A 15 1.353 -2.198 0.074 1.00 0.00 C ATOM 197 CD1 LEU A 15 2.251 -2.117 1.298 1.00 0.00 C ATOM 198 CD2 LEU A 15 1.535 -0.970 -0.806 1.00 0.00 C ATOM 199 H LEU A 15 -1.083 -3.929 -0.860 1.00 0.00 H ATOM 200 HA LEU A 15 1.342 -5.592 -0.655 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.458 -3.264 -1.764 1.00 0.00 H ATOM 202 HG LEU A 15 0.327 -2.219 0.414 1.00 0.00 H ATOM 203 HD11 LEU A 15 2.692 -3.084 1.486 1.00 0.00 H ATOM 204 HD12 LEU A 15 1.666 -1.815 2.154 1.00 0.00 H ATOM 205 HD13 LEU A 15 3.032 -1.392 1.123 1.00 0.00 H ATOM 206 HD21 LEU A 15 1.006 -1.114 -1.737 1.00 0.00 H ATOM 207 HD22 LEU A 15 2.586 -0.823 -1.007 1.00 0.00 H ATOM 208 HD23 LEU A 15 1.140 -0.102 -0.298 1.00 0.00 H ATOM 209 N TYR A 16 -0.476 -4.195 1.649 1.00 0.00 N ATOM 210 CA TYR A 16 -0.773 -4.177 3.076 1.00 0.00 C ATOM 211 C TYR A 16 -0.673 -5.578 3.671 1.00 0.00 C ATOM 212 O TYR A 16 -0.083 -5.772 4.734 1.00 0.00 O ATOM 213 CB TYR A 16 -2.171 -3.605 3.321 1.00 0.00 C ATOM 214 CG TYR A 16 -2.252 -2.702 4.531 1.00 0.00 C ATOM 215 CD1 TYR A 16 -1.604 -3.031 5.715 1.00 0.00 C ATOM 216 CD2 TYR A 16 -2.977 -1.517 4.489 1.00 0.00 C ATOM 217 CE1 TYR A 16 -1.676 -2.209 6.822 1.00 0.00 C ATOM 218 CE2 TYR A 16 -3.054 -0.688 5.591 1.00 0.00 C ATOM 219 CZ TYR A 16 -2.402 -1.038 6.755 1.00 0.00 C ATOM 220 OH TYR A 16 -2.476 -0.215 7.856 1.00 0.00 O ATOM 221 H TYR A 16 -1.109 -3.782 1.025 1.00 0.00 H ATOM 222 HA TYR A 16 -0.046 -3.541 3.558 1.00 0.00 H ATOM 223 HB3 TYR A 16 -2.865 -4.420 3.469 1.00 0.00 H ATOM 224 HD1 TYR A 16 -1.035 -3.949 5.763 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.486 -1.245 3.576 1.00 0.00 H ATOM 226 HE1 TYR A 16 -1.166 -2.483 7.733 1.00 0.00 H ATOM 227 HE2 TYR A 16 -3.622 0.230 5.539 1.00 0.00 H ATOM 228 HH TYR A 16 -3.310 0.260 7.845 1.00 0.00 H ATOM 229 N GLN A 17 -1.254 -6.552 2.976 1.00 0.00 N ATOM 230 CA GLN A 17 -1.231 -7.935 3.435 1.00 0.00 C ATOM 231 C GLN A 17 -1.722 -8.040 4.875 1.00 0.00 C ATOM 232 O GLN A 17 -2.446 -8.971 5.230 1.00 0.00 O ATOM 233 CB GLN A 17 0.183 -8.509 3.323 1.00 0.00 C ATOM 234 CG GLN A 17 0.451 -9.210 2.001 1.00 0.00 C ATOM 235 CD GLN A 17 1.923 -9.504 1.786 1.00 0.00 C ATOM 236 OE1 GLN A 17 2.364 -10.648 1.904 1.00 0.00 O ATOM 237 NE2 GLN A 17 2.693 -8.470 1.467 1.00 0.00 N ATOM 238 H GLN A 17 -1.709 -6.334 2.137 1.00 0.00 H ATOM 239 HA GLN A 17 -1.892 -8.506 2.801 1.00 0.00 H ATOM 240 HB3 GLN A 17 0.334 -9.221 4.121 1.00 0.00 H ATOM 241 HG3 GLN A 17 0.103 -8.580 1.197 1.00 0.00 H ATOM 242 HE21 GLN A 17 2.273 -7.587 1.391 1.00 0.00 H ATOM 243 HE22 GLN A 17 3.648 -8.632 1.322 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 2 ATOM 1 N LYS A 1 10.036 0.313 4.887 1.00 0.00 N ATOM 2 CA LYS A 1 8.814 0.780 5.530 1.00 0.00 C ATOM 3 C LYS A 1 7.782 1.211 4.494 1.00 0.00 C ATOM 4 O LYS A 1 6.919 2.043 4.771 1.00 0.00 O ATOM 5 CB LYS A 1 9.124 1.946 6.472 1.00 0.00 C ATOM 6 CG LYS A 1 9.715 3.157 5.768 1.00 0.00 C ATOM 7 CD LYS A 1 8.826 4.379 5.921 1.00 0.00 C ATOM 8 CE LYS A 1 9.476 5.619 5.324 1.00 0.00 C ATOM 9 NZ LYS A 1 8.632 6.229 4.260 1.00 0.00 N ATOM 10 H1 LYS A 1 10.703 0.969 4.595 1.00 0.00 H ATOM 11 HA LYS A 1 8.409 -0.038 6.106 1.00 0.00 H ATOM 12 HB3 LYS A 1 9.829 1.612 7.220 1.00 0.00 H ATOM 13 HG3 LYS A 1 9.823 2.931 4.716 1.00 0.00 H ATOM 14 HD3 LYS A 1 8.643 4.552 6.972 1.00 0.00 H ATOM 15 HE3 LYS A 1 10.429 5.340 4.901 1.00 0.00 H ATOM 16 HZ1 LYS A 1 8.814 5.765 3.348 1.00 0.00 H ATOM 17 HZ2 LYS A 1 8.850 7.242 4.170 1.00 0.00 H ATOM 18 HZ3 LYS A 1 7.626 6.122 4.498 1.00 0.00 H ATOM 19 N ARG A 2 7.878 0.637 3.298 1.00 0.00 N ATOM 20 CA ARG A 2 6.951 0.961 2.219 1.00 0.00 C ATOM 21 C ARG A 2 6.882 2.470 1.998 1.00 0.00 C ATOM 22 O ARG A 2 7.669 3.227 2.562 1.00 0.00 O ATOM 23 CB ARG A 2 5.557 0.416 2.534 1.00 0.00 C ATOM 24 CG ARG A 2 5.570 -0.987 3.117 1.00 0.00 C ATOM 25 CD ARG A 2 6.170 -1.989 2.145 1.00 0.00 C ATOM 26 NE ARG A 2 5.162 -2.889 1.594 1.00 0.00 N ATOM 27 CZ ARG A 2 5.445 -4.069 1.052 1.00 0.00 C ATOM 28 NH1 ARG A 2 6.701 -4.488 0.990 1.00 0.00 N ATOM 29 NH2 ARG A 2 4.471 -4.831 0.570 1.00 0.00 N ATOM 30 H ARG A 2 8.587 -0.020 3.138 1.00 0.00 H ATOM 31 HA ARG A 2 7.316 0.493 1.317 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.976 0.400 1.624 1.00 0.00 H ATOM 33 HG3 ARG A 2 4.555 -1.281 3.344 1.00 0.00 H ATOM 34 HD3 ARG A 2 6.914 -2.573 2.665 1.00 0.00 H ATOM 35 HE ARG A 2 4.225 -2.599 1.628 1.00 0.00 H ATOM 36 HH11 ARG A 2 7.437 -3.916 1.353 1.00 0.00 H ATOM 37 HH12 ARG A 2 6.913 -5.377 0.583 1.00 0.00 H ATOM 38 HH21 ARG A 2 3.524 -4.519 0.615 1.00 0.00 H ATOM 39 HH22 ARG A 2 4.686 -5.718 0.164 1.00 0.00 H ATOM 40 N GLY A 3 5.933 2.898 1.171 1.00 0.00 N ATOM 41 CA GLY A 3 5.779 4.313 0.888 1.00 0.00 C ATOM 42 C GLY A 3 5.614 4.594 -0.592 1.00 0.00 C ATOM 43 O GLY A 3 6.177 5.557 -1.114 1.00 0.00 O ATOM 44 H GLY A 3 5.333 2.247 0.749 1.00 0.00 H ATOM 45 HA2 GLY A 3 4.910 4.681 1.412 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.653 4.837 1.248 1.00 0.00 H ATOM 47 N ILE A 4 4.842 3.753 -1.270 1.00 0.00 N ATOM 48 CA ILE A 4 4.606 3.916 -2.700 1.00 0.00 C ATOM 49 C ILE A 4 3.418 4.837 -2.959 1.00 0.00 C ATOM 50 O ILE A 4 3.567 5.906 -3.550 1.00 0.00 O ATOM 51 CB ILE A 4 4.350 2.562 -3.385 1.00 0.00 C ATOM 52 CG1 ILE A 4 5.369 1.524 -2.911 1.00 0.00 C ATOM 53 CG2 ILE A 4 4.405 2.715 -4.898 1.00 0.00 C ATOM 54 CD1 ILE A 4 4.890 0.698 -1.739 1.00 0.00 C ATOM 55 H ILE A 4 4.421 3.006 -0.799 1.00 0.00 H ATOM 56 HA ILE A 4 5.492 4.356 -3.135 1.00 0.00 H ATOM 57 HB ILE A 4 3.358 2.229 -3.118 1.00 0.00 H ATOM 58 HG13 ILE A 4 6.276 2.031 -2.615 1.00 0.00 H ATOM 59 HG21 ILE A 4 4.669 3.732 -5.147 1.00 0.00 H ATOM 60 HG22 ILE A 4 5.150 2.044 -5.301 1.00 0.00 H ATOM 61 HG23 ILE A 4 3.440 2.479 -5.321 1.00 0.00 H ATOM 62 HD11 ILE A 4 4.634 -0.295 -2.078 1.00 0.00 H ATOM 63 HD12 ILE A 4 5.676 0.634 -1.000 1.00 0.00 H ATOM 64 HD13 ILE A 4 4.020 1.163 -1.301 1.00 0.00 H ATOM 65 N VAL A 5 2.240 4.417 -2.511 1.00 0.00 N ATOM 66 CA VAL A 5 1.027 5.205 -2.691 1.00 0.00 C ATOM 67 C VAL A 5 0.652 5.937 -1.408 1.00 0.00 C ATOM 68 O VAL A 5 0.316 7.121 -1.434 1.00 0.00 O ATOM 69 CB VAL A 5 -0.155 4.322 -3.130 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.342 5.182 -3.538 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.260 3.399 -4.266 1.00 0.00 C ATOM 72 H VAL A 5 2.186 3.555 -2.046 1.00 0.00 H ATOM 73 HA VAL A 5 1.214 5.931 -3.468 1.00 0.00 H ATOM 74 HB VAL A 5 -0.454 3.711 -2.291 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.545 5.040 -4.590 1.00 0.00 H ATOM 76 HG12 VAL A 5 -2.209 4.898 -2.960 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.112 6.221 -3.355 1.00 0.00 H ATOM 78 HG21 VAL A 5 1.070 2.766 -3.938 1.00 0.00 H ATOM 79 HG22 VAL A 5 -0.580 2.789 -4.559 1.00 0.00 H ATOM 80 HG23 VAL A 5 0.586 3.992 -5.110 1.00 0.00 H ATOM 81 N GLU A 6 0.712 5.225 -0.287 1.00 0.00 N ATOM 82 CA GLU A 6 0.377 5.809 1.006 1.00 0.00 C ATOM 83 C GLU A 6 -1.066 6.306 1.022 1.00 0.00 C ATOM 84 O GLU A 6 -1.435 7.142 1.846 1.00 0.00 O ATOM 85 CB GLU A 6 1.329 6.962 1.333 1.00 0.00 C ATOM 86 CG GLU A 6 2.789 6.642 1.058 1.00 0.00 C ATOM 87 CD GLU A 6 3.692 6.995 2.223 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.818 6.164 3.148 1.00 0.00 O ATOM 89 OE2 GLU A 6 4.273 8.100 2.211 1.00 0.00 O ATOM 90 H GLU A 6 0.986 4.285 -0.331 1.00 0.00 H ATOM 91 HA GLU A 6 0.489 5.041 1.756 1.00 0.00 H ATOM 92 HB3 GLU A 6 1.228 7.212 2.378 1.00 0.00 H ATOM 93 HG3 GLU A 6 3.110 7.200 0.191 1.00 0.00 H ATOM 94 N GLN A 7 -1.875 5.786 0.105 1.00 0.00 N ATOM 95 CA GLN A 7 -3.276 6.177 0.013 1.00 0.00 C ATOM 96 C GLN A 7 -4.192 4.974 0.209 1.00 0.00 C ATOM 97 O GLN A 7 -3.793 3.833 -0.028 1.00 0.00 O ATOM 98 CB GLN A 7 -3.556 6.832 -1.340 1.00 0.00 C ATOM 99 CG GLN A 7 -3.938 8.301 -1.238 1.00 0.00 C ATOM 100 CD GLN A 7 -4.378 8.883 -2.566 1.00 0.00 C ATOM 101 OE1 GLN A 7 -3.575 9.459 -3.302 1.00 0.00 O ATOM 102 NE2 GLN A 7 -5.660 8.737 -2.883 1.00 0.00 N ATOM 103 H GLN A 7 -1.521 5.123 -0.523 1.00 0.00 H ATOM 104 HA GLN A 7 -3.472 6.895 0.797 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.366 6.305 -1.822 1.00 0.00 H ATOM 106 HG3 GLN A 7 -3.085 8.857 -0.882 1.00 0.00 H ATOM 107 HE21 GLN A 7 -6.241 8.268 -2.249 1.00 0.00 H ATOM 108 HE22 GLN A 7 -5.972 9.104 -3.735 1.00 0.00 H ATOM 109 N CYS A 8 -5.419 5.236 0.641 1.00 0.00 N ATOM 110 CA CYS A 8 -6.393 4.172 0.869 1.00 0.00 C ATOM 111 C CYS A 8 -7.593 4.325 -0.060 1.00 0.00 C ATOM 112 O CYS A 8 -8.742 4.299 0.384 1.00 0.00 O ATOM 113 CB CYS A 8 -6.856 4.181 2.326 1.00 0.00 C ATOM 114 SG CYS A 8 -7.410 5.799 2.916 1.00 0.00 S ATOM 115 H CYS A 8 -5.680 6.165 0.812 1.00 0.00 H ATOM 116 HA CYS A 8 -5.909 3.231 0.660 1.00 0.00 H ATOM 117 HB3 CYS A 8 -6.041 3.862 2.957 1.00 0.00 H ATOM 118 HG CYS A 8 -7.941 5.635 4.118 1.00 0.00 H ATOM 119 N CYS A 9 -7.318 4.485 -1.350 1.00 0.00 N ATOM 120 CA CYS A 9 -8.376 4.644 -2.342 1.00 0.00 C ATOM 121 C CYS A 9 -8.311 3.538 -3.389 1.00 0.00 C ATOM 122 O CYS A 9 -9.335 3.113 -3.925 1.00 0.00 O ATOM 123 CB CYS A 9 -8.266 6.010 -3.020 1.00 0.00 C ATOM 124 SG CYS A 9 -9.447 7.237 -2.407 1.00 0.00 S ATOM 125 H CYS A 9 -6.384 4.496 -1.643 1.00 0.00 H ATOM 126 HA CYS A 9 -9.324 4.582 -1.829 1.00 0.00 H ATOM 127 HB3 CYS A 9 -8.434 5.892 -4.079 1.00 0.00 H ATOM 128 HG CYS A 9 -8.783 8.357 -2.167 1.00 0.00 H ATOM 129 N THR A 10 -7.099 3.075 -3.679 1.00 0.00 N ATOM 130 CA THR A 10 -6.899 2.019 -4.664 1.00 0.00 C ATOM 131 C THR A 10 -6.603 0.685 -3.987 1.00 0.00 C ATOM 132 O THR A 10 -6.716 0.557 -2.769 1.00 0.00 O ATOM 133 CB THR A 10 -5.747 2.360 -5.626 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.490 2.236 -4.951 1.00 0.00 O ATOM 135 CG2 THR A 10 -5.897 3.773 -6.172 1.00 0.00 C ATOM 136 H THR A 10 -6.321 3.453 -3.219 1.00 0.00 H ATOM 137 HA THR A 10 -7.807 1.925 -5.241 1.00 0.00 H ATOM 138 HB THR A 10 -5.772 1.666 -6.454 1.00 0.00 H ATOM 139 HG1 THR A 10 -3.813 1.974 -5.580 1.00 0.00 H ATOM 140 HG21 THR A 10 -5.808 4.481 -5.362 1.00 0.00 H ATOM 141 HG22 THR A 10 -6.866 3.878 -6.637 1.00 0.00 H ATOM 142 HG23 THR A 10 -5.123 3.960 -6.901 1.00 0.00 H ATOM 143 N SER A 11 -6.223 -0.306 -4.787 1.00 0.00 N ATOM 144 CA SER A 11 -5.914 -1.633 -4.265 1.00 0.00 C ATOM 145 C SER A 11 -4.609 -1.616 -3.474 1.00 0.00 C ATOM 146 O SER A 11 -3.549 -1.969 -3.994 1.00 0.00 O ATOM 147 CB SER A 11 -5.815 -2.644 -5.410 1.00 0.00 C ATOM 148 OG SER A 11 -6.704 -2.310 -6.462 1.00 0.00 O ATOM 149 H SER A 11 -6.151 -0.142 -5.751 1.00 0.00 H ATOM 150 HA SER A 11 -6.716 -1.925 -3.606 1.00 0.00 H ATOM 151 HB3 SER A 11 -6.066 -3.628 -5.040 1.00 0.00 H ATOM 152 HG SER A 11 -6.200 -2.048 -7.236 1.00 0.00 H ATOM 153 N ILE A 12 -4.694 -1.200 -2.215 1.00 0.00 N ATOM 154 CA ILE A 12 -3.521 -1.137 -1.352 1.00 0.00 C ATOM 155 C ILE A 12 -3.285 -2.467 -0.645 1.00 0.00 C ATOM 156 O ILE A 12 -2.147 -2.834 -0.353 1.00 0.00 O ATOM 157 CB ILE A 12 -3.660 -0.025 -0.295 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.330 0.187 0.431 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.761 -0.370 0.697 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.627 1.470 0.043 1.00 0.00 C ATOM 161 H ILE A 12 -5.565 -0.930 -1.857 1.00 0.00 H ATOM 162 HA ILE A 12 -2.663 -0.913 -1.970 1.00 0.00 H ATOM 163 HB ILE A 12 -3.936 0.889 -0.799 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.668 -0.636 0.204 1.00 0.00 H ATOM 165 HG21 ILE A 12 -5.700 -0.464 0.173 1.00 0.00 H ATOM 166 HG22 ILE A 12 -4.526 -1.305 1.182 1.00 0.00 H ATOM 167 HG23 ILE A 12 -4.837 0.412 1.437 1.00 0.00 H ATOM 168 HD11 ILE A 12 -2.112 1.898 -0.824 1.00 0.00 H ATOM 169 HD12 ILE A 12 -1.676 2.172 0.862 1.00 0.00 H ATOM 170 HD13 ILE A 12 -0.595 1.259 -0.191 1.00 0.00 H ATOM 171 N CYS A 13 -4.369 -3.187 -0.376 1.00 0.00 N ATOM 172 CA CYS A 13 -4.281 -4.479 0.296 1.00 0.00 C ATOM 173 C CYS A 13 -3.287 -5.393 -0.412 1.00 0.00 C ATOM 174 O CYS A 13 -2.669 -6.256 0.211 1.00 0.00 O ATOM 175 CB CYS A 13 -5.657 -5.145 0.349 1.00 0.00 C ATOM 176 SG CYS A 13 -6.097 -5.802 1.974 1.00 0.00 S ATOM 177 H CYS A 13 -5.250 -2.842 -0.633 1.00 0.00 H ATOM 178 HA CYS A 13 -3.936 -4.305 1.304 1.00 0.00 H ATOM 179 HB3 CYS A 13 -5.679 -5.963 -0.356 1.00 0.00 H ATOM 180 HG CYS A 13 -7.360 -5.485 2.215 1.00 0.00 H ATOM 181 N SER A 14 -3.140 -5.200 -1.718 1.00 0.00 N ATOM 182 CA SER A 14 -2.225 -6.011 -2.514 1.00 0.00 C ATOM 183 C SER A 14 -0.808 -5.935 -1.956 1.00 0.00 C ATOM 184 O SER A 14 0.003 -6.840 -2.163 1.00 0.00 O ATOM 185 CB SER A 14 -2.236 -5.549 -3.974 1.00 0.00 C ATOM 186 OG SER A 14 -2.477 -6.635 -4.850 1.00 0.00 O ATOM 187 H SER A 14 -3.662 -4.496 -2.159 1.00 0.00 H ATOM 188 HA SER A 14 -2.564 -7.035 -2.468 1.00 0.00 H ATOM 189 HB3 SER A 14 -1.279 -5.110 -4.215 1.00 0.00 H ATOM 190 HG SER A 14 -3.422 -6.747 -4.970 1.00 0.00 H ATOM 191 N LEU A 15 -0.514 -4.851 -1.247 1.00 0.00 N ATOM 192 CA LEU A 15 0.806 -4.656 -0.657 1.00 0.00 C ATOM 193 C LEU A 15 0.716 -4.576 0.864 1.00 0.00 C ATOM 194 O LEU A 15 1.660 -4.929 1.571 1.00 0.00 O ATOM 195 CB LEU A 15 1.449 -3.384 -1.211 1.00 0.00 C ATOM 196 CG LEU A 15 1.044 -2.076 -0.530 1.00 0.00 C ATOM 197 CD1 LEU A 15 1.986 -1.757 0.621 1.00 0.00 C ATOM 198 CD2 LEU A 15 1.025 -0.934 -1.536 1.00 0.00 C ATOM 199 H LEU A 15 -1.201 -4.165 -1.116 1.00 0.00 H ATOM 200 HA LEU A 15 1.417 -5.505 -0.925 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.188 -3.309 -2.256 1.00 0.00 H ATOM 202 HG LEU A 15 0.047 -2.182 -0.125 1.00 0.00 H ATOM 203 HD11 LEU A 15 1.450 -1.214 1.384 1.00 0.00 H ATOM 204 HD12 LEU A 15 2.807 -1.157 0.259 1.00 0.00 H ATOM 205 HD13 LEU A 15 2.370 -2.678 1.036 1.00 0.00 H ATOM 206 HD21 LEU A 15 0.652 -0.041 -1.060 1.00 0.00 H ATOM 207 HD22 LEU A 15 0.383 -1.197 -2.365 1.00 0.00 H ATOM 208 HD23 LEU A 15 2.027 -0.759 -1.900 1.00 0.00 H ATOM 209 N TYR A 16 -0.425 -4.110 1.360 1.00 0.00 N ATOM 210 CA TYR A 16 -0.638 -3.983 2.797 1.00 0.00 C ATOM 211 C TYR A 16 -0.479 -5.332 3.492 1.00 0.00 C ATOM 212 O TYR A 16 0.071 -5.414 4.589 1.00 0.00 O ATOM 213 CB TYR A 16 -2.028 -3.410 3.079 1.00 0.00 C ATOM 214 CG TYR A 16 -2.013 -2.204 3.989 1.00 0.00 C ATOM 215 CD1 TYR A 16 -1.207 -2.172 5.121 1.00 0.00 C ATOM 216 CD2 TYR A 16 -2.804 -1.094 3.718 1.00 0.00 C ATOM 217 CE1 TYR A 16 -1.190 -1.072 5.955 1.00 0.00 C ATOM 218 CE2 TYR A 16 -2.793 0.010 4.547 1.00 0.00 C ATOM 219 CZ TYR A 16 -1.985 0.017 5.665 1.00 0.00 C ATOM 220 OH TYR A 16 -1.970 1.115 6.494 1.00 0.00 O ATOM 221 H TYR A 16 -1.141 -3.845 0.745 1.00 0.00 H ATOM 222 HA TYR A 16 0.107 -3.301 3.182 1.00 0.00 H ATOM 223 HB3 TYR A 16 -2.636 -4.171 3.546 1.00 0.00 H ATOM 224 HD1 TYR A 16 -0.584 -3.028 5.345 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.437 -1.102 2.843 1.00 0.00 H ATOM 226 HE1 TYR A 16 -0.556 -1.067 6.831 1.00 0.00 H ATOM 227 HE2 TYR A 16 -3.416 0.864 4.320 1.00 0.00 H ATOM 228 HH TYR A 16 -1.144 1.590 6.380 1.00 0.00 H ATOM 229 N GLN A 17 -0.969 -6.385 2.845 1.00 0.00 N ATOM 230 CA GLN A 17 -0.881 -7.729 3.401 1.00 0.00 C ATOM 231 C GLN A 17 -1.517 -7.788 4.786 1.00 0.00 C ATOM 232 O GLN A 17 -1.290 -8.732 5.545 1.00 0.00 O ATOM 233 CB GLN A 17 0.579 -8.181 3.476 1.00 0.00 C ATOM 234 CG GLN A 17 1.282 -8.192 2.129 1.00 0.00 C ATOM 235 CD GLN A 17 0.980 -9.442 1.326 1.00 0.00 C ATOM 236 OE1 GLN A 17 1.575 -10.497 1.548 1.00 0.00 O ATOM 237 NE2 GLN A 17 0.051 -9.331 0.382 1.00 0.00 N ATOM 238 H GLN A 17 -1.396 -6.254 1.974 1.00 0.00 H ATOM 239 HA GLN A 17 -1.419 -8.396 2.744 1.00 0.00 H ATOM 240 HB3 GLN A 17 0.614 -9.179 3.886 1.00 0.00 H ATOM 241 HG3 GLN A 17 2.348 -8.137 2.294 1.00 0.00 H ATOM 242 HE21 GLN A 17 -0.382 -8.458 0.261 1.00 0.00 H ATOM 243 HE22 GLN A 17 -0.163 -10.121 -0.152 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 3 ATOM 1 N LYS A 1 9.384 -3.098 1.133 1.00 0.00 N ATOM 2 CA LYS A 1 9.234 -1.750 1.667 1.00 0.00 C ATOM 3 C LYS A 1 7.986 -1.077 1.103 1.00 0.00 C ATOM 4 O LYS A 1 7.634 -1.278 -0.060 1.00 0.00 O ATOM 5 CB LYS A 1 10.471 -0.909 1.344 1.00 0.00 C ATOM 6 CG LYS A 1 10.373 0.528 1.826 1.00 0.00 C ATOM 7 CD LYS A 1 11.693 1.015 2.399 1.00 0.00 C ATOM 8 CE LYS A 1 11.898 2.501 2.141 1.00 0.00 C ATOM 9 NZ LYS A 1 11.176 3.341 3.136 1.00 0.00 N ATOM 10 H1 LYS A 1 8.714 -3.777 1.355 1.00 0.00 H ATOM 11 HA LYS A 1 9.131 -1.828 2.740 1.00 0.00 H ATOM 12 HB3 LYS A 1 10.614 -0.898 0.273 1.00 0.00 H ATOM 13 HG3 LYS A 1 9.614 0.589 2.593 1.00 0.00 H ATOM 14 HD3 LYS A 1 12.500 0.465 1.938 1.00 0.00 H ATOM 15 HE3 LYS A 1 11.531 2.735 1.152 1.00 0.00 H ATOM 16 HZ1 LYS A 1 10.219 3.561 2.792 1.00 0.00 H ATOM 17 HZ2 LYS A 1 11.692 4.231 3.292 1.00 0.00 H ATOM 18 HZ3 LYS A 1 11.099 2.836 4.041 1.00 0.00 H ATOM 19 N ARG A 2 7.324 -0.277 1.932 1.00 0.00 N ATOM 20 CA ARG A 2 6.118 0.427 1.514 1.00 0.00 C ATOM 21 C ARG A 2 6.404 1.907 1.277 1.00 0.00 C ATOM 22 O ARG A 2 7.559 2.330 1.258 1.00 0.00 O ATOM 23 CB ARG A 2 5.019 0.271 2.567 1.00 0.00 C ATOM 24 CG ARG A 2 4.747 -1.175 2.952 1.00 0.00 C ATOM 25 CD ARG A 2 5.649 -1.629 4.089 1.00 0.00 C ATOM 26 NE ARG A 2 4.936 -1.693 5.362 1.00 0.00 N ATOM 27 CZ ARG A 2 4.168 -2.714 5.723 1.00 0.00 C ATOM 28 NH1 ARG A 2 4.013 -3.752 4.912 1.00 0.00 N ATOM 29 NH2 ARG A 2 3.551 -2.699 6.898 1.00 0.00 N ATOM 30 H ARG A 2 7.655 -0.156 2.846 1.00 0.00 H ATOM 31 HA ARG A 2 5.781 -0.015 0.587 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.106 0.697 2.183 1.00 0.00 H ATOM 33 HG3 ARG A 2 4.919 -1.805 2.093 1.00 0.00 H ATOM 34 HD3 ARG A 2 6.468 -0.932 4.180 1.00 0.00 H ATOM 35 HE ARG A 2 5.036 -0.937 5.977 1.00 0.00 H ATOM 36 HH11 ARG A 2 4.478 -3.767 4.027 1.00 0.00 H ATOM 37 HH12 ARG A 2 3.435 -4.521 5.187 1.00 0.00 H ATOM 38 HH21 ARG A 2 3.665 -1.919 7.512 1.00 0.00 H ATOM 39 HH22 ARG A 2 2.974 -3.469 7.168 1.00 0.00 H ATOM 40 N GLY A 3 5.344 2.688 1.098 1.00 0.00 N ATOM 41 CA GLY A 3 5.503 4.111 0.865 1.00 0.00 C ATOM 42 C GLY A 3 5.419 4.471 -0.605 1.00 0.00 C ATOM 43 O GLY A 3 6.134 5.356 -1.077 1.00 0.00 O ATOM 44 H GLY A 3 4.446 2.296 1.124 1.00 0.00 H ATOM 45 HA2 GLY A 3 4.729 4.641 1.401 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.465 4.423 1.245 1.00 0.00 H ATOM 47 N ILE A 4 4.543 3.786 -1.331 1.00 0.00 N ATOM 48 CA ILE A 4 4.369 4.038 -2.756 1.00 0.00 C ATOM 49 C ILE A 4 3.277 5.075 -3.001 1.00 0.00 C ATOM 50 O ILE A 4 3.530 6.133 -3.577 1.00 0.00 O ATOM 51 CB ILE A 4 4.014 2.747 -3.517 1.00 0.00 C ATOM 52 CG1 ILE A 4 4.891 1.589 -3.037 1.00 0.00 C ATOM 53 CG2 ILE A 4 4.175 2.954 -5.016 1.00 0.00 C ATOM 54 CD1 ILE A 4 4.269 0.784 -1.918 1.00 0.00 C ATOM 55 H ILE A 4 4.001 3.094 -0.898 1.00 0.00 H ATOM 56 HA ILE A 4 5.303 4.417 -3.145 1.00 0.00 H ATOM 57 HB ILE A 4 2.979 2.511 -3.320 1.00 0.00 H ATOM 58 HG13 ILE A 4 5.831 1.982 -2.681 1.00 0.00 H ATOM 59 HG21 ILE A 4 4.811 2.181 -5.419 1.00 0.00 H ATOM 60 HG22 ILE A 4 3.207 2.906 -5.491 1.00 0.00 H ATOM 61 HG23 ILE A 4 4.620 3.920 -5.200 1.00 0.00 H ATOM 62 HD11 ILE A 4 3.433 1.330 -1.503 1.00 0.00 H ATOM 63 HD12 ILE A 4 3.921 -0.163 -2.304 1.00 0.00 H ATOM 64 HD13 ILE A 4 5.003 0.610 -1.147 1.00 0.00 H ATOM 65 N VAL A 5 2.063 4.764 -2.560 1.00 0.00 N ATOM 66 CA VAL A 5 0.933 5.671 -2.728 1.00 0.00 C ATOM 67 C VAL A 5 0.487 6.247 -1.389 1.00 0.00 C ATOM 68 O VAL A 5 0.073 7.403 -1.308 1.00 0.00 O ATOM 69 CB VAL A 5 -0.261 4.961 -3.393 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.327 5.968 -3.791 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.201 4.155 -4.598 1.00 0.00 C ATOM 72 H VAL A 5 1.924 3.905 -2.109 1.00 0.00 H ATOM 73 HA VAL A 5 1.248 6.480 -3.370 1.00 0.00 H ATOM 74 HB VAL A 5 -0.693 4.278 -2.675 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.396 6.739 -3.036 1.00 0.00 H ATOM 76 HG12 VAL A 5 -1.065 6.415 -4.739 1.00 0.00 H ATOM 77 HG13 VAL A 5 -2.282 5.469 -3.880 1.00 0.00 H ATOM 78 HG21 VAL A 5 -0.647 3.662 -5.048 1.00 0.00 H ATOM 79 HG22 VAL A 5 0.657 4.818 -5.318 1.00 0.00 H ATOM 80 HG23 VAL A 5 0.922 3.416 -4.282 1.00 0.00 H ATOM 81 N GLU A 6 0.575 5.433 -0.342 1.00 0.00 N ATOM 82 CA GLU A 6 0.180 5.864 0.995 1.00 0.00 C ATOM 83 C GLU A 6 -1.271 6.335 1.007 1.00 0.00 C ATOM 84 O GLU A 6 -1.663 7.147 1.845 1.00 0.00 O ATOM 85 CB GLU A 6 1.096 6.986 1.485 1.00 0.00 C ATOM 86 CG GLU A 6 2.572 6.708 1.261 1.00 0.00 C ATOM 87 CD GLU A 6 3.409 6.955 2.502 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.152 6.296 3.531 1.00 0.00 O ATOM 89 OE2 GLU A 6 4.319 7.808 2.445 1.00 0.00 O ATOM 90 H GLU A 6 0.913 4.522 -0.470 1.00 0.00 H ATOM 91 HA GLU A 6 0.276 5.018 1.658 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.936 7.128 2.544 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.931 7.350 0.469 1.00 0.00 H ATOM 94 N GLN A 7 -2.063 5.821 0.072 1.00 0.00 N ATOM 95 CA GLN A 7 -3.470 6.190 -0.026 1.00 0.00 C ATOM 96 C GLN A 7 -4.367 4.967 0.138 1.00 0.00 C ATOM 97 O GLN A 7 -4.033 3.875 -0.323 1.00 0.00 O ATOM 98 CB GLN A 7 -3.750 6.866 -1.369 1.00 0.00 C ATOM 99 CG GLN A 7 -3.162 8.263 -1.481 1.00 0.00 C ATOM 100 CD GLN A 7 -3.559 8.962 -2.767 1.00 0.00 C ATOM 101 OE1 GLN A 7 -2.706 9.361 -3.559 1.00 0.00 O ATOM 102 NE2 GLN A 7 -4.861 9.116 -2.979 1.00 0.00 N ATOM 103 H GLN A 7 -1.693 5.178 -0.568 1.00 0.00 H ATOM 104 HA GLN A 7 -3.685 6.888 0.769 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.818 6.937 -1.507 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.084 8.190 -1.447 1.00 0.00 H ATOM 107 HE21 GLN A 7 -5.483 8.774 -2.302 1.00 0.00 H ATOM 108 HE22 GLN A 7 -5.146 9.565 -3.802 1.00 0.00 H ATOM 109 N CYS A 8 -5.505 5.159 0.794 1.00 0.00 N ATOM 110 CA CYS A 8 -6.451 4.070 1.020 1.00 0.00 C ATOM 111 C CYS A 8 -7.598 4.132 0.020 1.00 0.00 C ATOM 112 O CYS A 8 -8.760 3.928 0.379 1.00 0.00 O ATOM 113 CB CYS A 8 -6.996 4.129 2.447 1.00 0.00 C ATOM 114 SG CYS A 8 -7.829 5.681 2.856 1.00 0.00 S ATOM 115 H CYS A 8 -5.716 6.051 1.137 1.00 0.00 H ATOM 116 HA CYS A 8 -5.920 3.139 0.884 1.00 0.00 H ATOM 117 HB3 CYS A 8 -6.181 3.999 3.143 1.00 0.00 H ATOM 118 HG CYS A 8 -8.315 5.573 4.083 1.00 0.00 H ATOM 119 N CYS A 9 -7.269 4.415 -1.235 1.00 0.00 N ATOM 120 CA CYS A 9 -8.275 4.506 -2.288 1.00 0.00 C ATOM 121 C CYS A 9 -7.999 3.490 -3.393 1.00 0.00 C ATOM 122 O CYS A 9 -8.923 2.986 -4.032 1.00 0.00 O ATOM 123 CB CYS A 9 -8.304 5.919 -2.873 1.00 0.00 C ATOM 124 SG CYS A 9 -9.626 6.962 -2.217 1.00 0.00 S ATOM 125 H CYS A 9 -6.327 4.567 -1.460 1.00 0.00 H ATOM 126 HA CYS A 9 -9.235 4.288 -1.848 1.00 0.00 H ATOM 127 HB3 CYS A 9 -8.433 5.854 -3.943 1.00 0.00 H ATOM 128 HG CYS A 9 -9.505 6.993 -0.899 1.00 0.00 H ATOM 129 N THR A 10 -6.721 3.195 -3.613 1.00 0.00 N ATOM 130 CA THR A 10 -6.323 2.241 -4.641 1.00 0.00 C ATOM 131 C THR A 10 -6.078 0.860 -4.046 1.00 0.00 C ATOM 132 O THR A 10 -6.366 0.619 -2.873 1.00 0.00 O ATOM 133 CB THR A 10 -5.050 2.705 -5.374 1.00 0.00 C ATOM 134 OG1 THR A 10 -3.911 2.550 -4.523 1.00 0.00 O ATOM 135 CG2 THR A 10 -5.173 4.160 -5.805 1.00 0.00 C ATOM 136 H THR A 10 -6.031 3.630 -3.070 1.00 0.00 H ATOM 137 HA THR A 10 -7.125 2.175 -5.362 1.00 0.00 H ATOM 138 HB THR A 10 -4.918 2.095 -6.256 1.00 0.00 H ATOM 139 HG1 THR A 10 -4.138 2.823 -3.631 1.00 0.00 H ATOM 140 HG21 THR A 10 -4.555 4.331 -6.673 1.00 0.00 H ATOM 141 HG22 THR A 10 -4.849 4.803 -4.999 1.00 0.00 H ATOM 142 HG23 THR A 10 -6.203 4.377 -6.047 1.00 0.00 H ATOM 143 N SER A 11 -5.543 -0.043 -4.860 1.00 0.00 N ATOM 144 CA SER A 11 -5.261 -1.402 -4.415 1.00 0.00 C ATOM 145 C SER A 11 -4.072 -1.425 -3.456 1.00 0.00 C ATOM 146 O SER A 11 -2.950 -1.740 -3.852 1.00 0.00 O ATOM 147 CB SER A 11 -4.981 -2.308 -5.614 1.00 0.00 C ATOM 148 OG SER A 11 -5.743 -1.911 -6.741 1.00 0.00 O ATOM 149 H SER A 11 -5.335 0.210 -5.784 1.00 0.00 H ATOM 150 HA SER A 11 -6.134 -1.768 -3.894 1.00 0.00 H ATOM 151 HB3 SER A 11 -5.239 -3.327 -5.362 1.00 0.00 H ATOM 152 HG SER A 11 -5.208 -1.991 -7.534 1.00 0.00 H ATOM 153 N ILE A 12 -4.330 -1.089 -2.198 1.00 0.00 N ATOM 154 CA ILE A 12 -3.282 -1.071 -1.184 1.00 0.00 C ATOM 155 C ILE A 12 -3.135 -2.437 -0.521 1.00 0.00 C ATOM 156 O ILE A 12 -2.043 -2.819 -0.102 1.00 0.00 O ATOM 157 CB ILE A 12 -3.565 -0.014 -0.100 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.343 0.160 0.805 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.785 -0.410 0.718 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.574 1.435 0.543 1.00 0.00 C ATOM 161 H ILE A 12 -5.244 -0.848 -1.943 1.00 0.00 H ATOM 162 HA ILE A 12 -2.352 -0.817 -1.671 1.00 0.00 H ATOM 163 HB ILE A 12 -3.778 0.923 -0.589 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.670 -0.672 0.653 1.00 0.00 H ATOM 165 HG21 ILE A 12 -5.646 -0.479 0.070 1.00 0.00 H ATOM 166 HG22 ILE A 12 -4.611 -1.367 1.186 1.00 0.00 H ATOM 167 HG23 ILE A 12 -4.967 0.335 1.479 1.00 0.00 H ATOM 168 HD11 ILE A 12 -1.766 2.140 1.340 1.00 0.00 H ATOM 169 HD12 ILE A 12 -0.517 1.217 0.503 1.00 0.00 H ATOM 170 HD13 ILE A 12 -1.891 1.861 -0.397 1.00 0.00 H ATOM 171 N CYS A 13 -4.241 -3.167 -0.433 1.00 0.00 N ATOM 172 CA CYS A 13 -4.237 -4.491 0.179 1.00 0.00 C ATOM 173 C CYS A 13 -3.155 -5.371 -0.441 1.00 0.00 C ATOM 174 O CYS A 13 -2.619 -6.266 0.212 1.00 0.00 O ATOM 175 CB CYS A 13 -5.604 -5.155 0.018 1.00 0.00 C ATOM 176 SG CYS A 13 -6.242 -5.907 1.533 1.00 0.00 S ATOM 177 H CYS A 13 -5.082 -2.808 -0.785 1.00 0.00 H ATOM 178 HA CYS A 13 -4.025 -4.370 1.230 1.00 0.00 H ATOM 179 HB3 CYS A 13 -5.535 -5.929 -0.731 1.00 0.00 H ATOM 180 HG CYS A 13 -5.392 -5.637 2.512 1.00 0.00 H ATOM 181 N SER A 14 -2.841 -5.112 -1.706 1.00 0.00 N ATOM 182 CA SER A 14 -1.828 -5.884 -2.416 1.00 0.00 C ATOM 183 C SER A 14 -0.495 -5.844 -1.674 1.00 0.00 C ATOM 184 O SER A 14 0.336 -6.740 -1.818 1.00 0.00 O ATOM 185 CB SER A 14 -1.650 -5.347 -3.837 1.00 0.00 C ATOM 186 OG SER A 14 -0.492 -5.891 -4.447 1.00 0.00 O ATOM 187 H SER A 14 -3.304 -4.386 -2.174 1.00 0.00 H ATOM 188 HA SER A 14 -2.167 -6.908 -2.468 1.00 0.00 H ATOM 189 HB3 SER A 14 -1.552 -4.271 -3.803 1.00 0.00 H ATOM 190 HG SER A 14 0.038 -5.183 -4.819 1.00 0.00 H ATOM 191 N LEU A 15 -0.300 -4.798 -0.879 1.00 0.00 N ATOM 192 CA LEU A 15 0.931 -4.639 -0.113 1.00 0.00 C ATOM 193 C LEU A 15 0.643 -4.636 1.385 1.00 0.00 C ATOM 194 O LEU A 15 1.488 -5.027 2.190 1.00 0.00 O ATOM 195 CB LEU A 15 1.639 -3.342 -0.511 1.00 0.00 C ATOM 196 CG LEU A 15 1.149 -2.070 0.184 1.00 0.00 C ATOM 197 CD1 LEU A 15 1.937 -1.820 1.459 1.00 0.00 C ATOM 198 CD2 LEU A 15 1.256 -0.876 -0.755 1.00 0.00 C ATOM 199 H LEU A 15 -0.999 -4.115 -0.804 1.00 0.00 H ATOM 200 HA LEU A 15 1.575 -5.475 -0.341 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.511 -3.210 -1.575 1.00 0.00 H ATOM 202 HG LEU A 15 0.109 -2.192 0.454 1.00 0.00 H ATOM 203 HD11 LEU A 15 2.951 -2.168 1.329 1.00 0.00 H ATOM 204 HD12 LEU A 15 1.476 -2.352 2.278 1.00 0.00 H ATOM 205 HD13 LEU A 15 1.945 -0.762 1.677 1.00 0.00 H ATOM 206 HD21 LEU A 15 2.073 -1.031 -1.443 1.00 0.00 H ATOM 207 HD22 LEU A 15 1.434 0.019 -0.178 1.00 0.00 H ATOM 208 HD23 LEU A 15 0.333 -0.770 -1.308 1.00 0.00 H ATOM 209 N TYR A 16 -0.554 -4.193 1.752 1.00 0.00 N ATOM 210 CA TYR A 16 -0.953 -4.139 3.153 1.00 0.00 C ATOM 211 C TYR A 16 -0.889 -5.523 3.792 1.00 0.00 C ATOM 212 O TYR A 16 -0.520 -5.664 4.957 1.00 0.00 O ATOM 213 CB TYR A 16 -2.366 -3.570 3.281 1.00 0.00 C ATOM 214 CG TYR A 16 -2.468 -2.406 4.241 1.00 0.00 C ATOM 215 CD1 TYR A 16 -1.818 -2.437 5.469 1.00 0.00 C ATOM 216 CD2 TYR A 16 -3.212 -1.278 3.922 1.00 0.00 C ATOM 217 CE1 TYR A 16 -1.906 -1.376 6.350 1.00 0.00 C ATOM 218 CE2 TYR A 16 -3.306 -0.213 4.796 1.00 0.00 C ATOM 219 CZ TYR A 16 -2.652 -0.266 6.008 1.00 0.00 C ATOM 220 OH TYR A 16 -2.743 0.794 6.882 1.00 0.00 O ATOM 221 H TYR A 16 -1.184 -3.894 1.064 1.00 0.00 H ATOM 222 HA TYR A 16 -0.265 -3.485 3.669 1.00 0.00 H ATOM 223 HB3 TYR A 16 -3.030 -4.349 3.631 1.00 0.00 H ATOM 224 HD1 TYR A 16 -1.235 -3.306 5.734 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.724 -1.240 2.970 1.00 0.00 H ATOM 226 HE1 TYR A 16 -1.395 -1.417 7.300 1.00 0.00 H ATOM 227 HE2 TYR A 16 -3.889 0.656 4.528 1.00 0.00 H ATOM 228 HH TYR A 16 -1.862 1.062 7.152 1.00 0.00 H ATOM 229 N GLN A 17 -1.254 -6.541 3.019 1.00 0.00 N ATOM 230 CA GLN A 17 -1.238 -7.915 3.507 1.00 0.00 C ATOM 231 C GLN A 17 -2.066 -8.049 4.780 1.00 0.00 C ATOM 232 O GLN A 17 -2.011 -9.070 5.466 1.00 0.00 O ATOM 233 CB GLN A 17 0.198 -8.370 3.769 1.00 0.00 C ATOM 234 CG GLN A 17 0.939 -8.799 2.513 1.00 0.00 C ATOM 235 CD GLN A 17 0.625 -10.226 2.108 1.00 0.00 C ATOM 236 OE1 GLN A 17 0.247 -10.489 0.967 1.00 0.00 O ATOM 237 NE2 GLN A 17 0.782 -11.154 3.045 1.00 0.00 N ATOM 238 H GLN A 17 -1.539 -6.365 2.098 1.00 0.00 H ATOM 239 HA GLN A 17 -1.671 -8.543 2.743 1.00 0.00 H ATOM 240 HB3 GLN A 17 0.179 -9.206 4.452 1.00 0.00 H ATOM 241 HG3 GLN A 17 2.001 -8.716 2.691 1.00 0.00 H ATOM 242 HE21 GLN A 17 1.085 -10.869 3.932 1.00 0.00 H ATOM 243 HE22 GLN A 17 0.585 -12.084 2.810 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 4 ATOM 1 N LYS A 1 10.379 -0.329 5.392 1.00 0.00 N ATOM 2 CA LYS A 1 9.001 0.146 5.368 1.00 0.00 C ATOM 3 C LYS A 1 8.526 0.361 3.936 1.00 0.00 C ATOM 4 O LYS A 1 9.275 0.149 2.983 1.00 0.00 O ATOM 5 CB LYS A 1 8.879 1.451 6.160 1.00 0.00 C ATOM 6 CG LYS A 1 7.608 1.542 6.988 1.00 0.00 C ATOM 7 CD LYS A 1 7.915 1.607 8.474 1.00 0.00 C ATOM 8 CE LYS A 1 6.852 0.892 9.294 1.00 0.00 C ATOM 9 NZ LYS A 1 6.414 1.702 10.464 1.00 0.00 N ATOM 10 H1 LYS A 1 10.602 -1.123 5.924 1.00 0.00 H ATOM 11 HA LYS A 1 8.383 -0.606 5.833 1.00 0.00 H ATOM 12 HB3 LYS A 1 8.893 2.281 5.467 1.00 0.00 H ATOM 13 HG3 LYS A 1 6.999 0.671 6.791 1.00 0.00 H ATOM 14 HD3 LYS A 1 7.956 2.643 8.779 1.00 0.00 H ATOM 15 HE3 LYS A 1 7.258 -0.044 9.648 1.00 0.00 H ATOM 16 HZ1 LYS A 1 6.442 2.715 10.227 1.00 0.00 H ATOM 17 HZ2 LYS A 1 7.043 1.529 11.273 1.00 0.00 H ATOM 18 HZ3 LYS A 1 5.442 1.447 10.732 1.00 0.00 H ATOM 19 N ARG A 2 7.274 0.785 3.791 1.00 0.00 N ATOM 20 CA ARG A 2 6.698 1.029 2.473 1.00 0.00 C ATOM 21 C ARG A 2 6.594 2.526 2.195 1.00 0.00 C ATOM 22 O ARG A 2 7.138 3.345 2.934 1.00 0.00 O ATOM 23 CB ARG A 2 5.315 0.383 2.371 1.00 0.00 C ATOM 24 CG ARG A 2 5.301 -1.088 2.755 1.00 0.00 C ATOM 25 CD ARG A 2 5.072 -1.271 4.248 1.00 0.00 C ATOM 26 NE ARG A 2 3.711 -1.711 4.543 1.00 0.00 N ATOM 27 CZ ARG A 2 3.311 -2.974 4.451 1.00 0.00 C ATOM 28 NH1 ARG A 2 4.164 -3.916 4.073 1.00 0.00 N ATOM 29 NH2 ARG A 2 2.057 -3.296 4.737 1.00 0.00 N ATOM 30 H ARG A 2 6.725 0.937 4.587 1.00 0.00 H ATOM 31 HA ARG A 2 7.350 0.583 1.739 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.965 0.470 1.353 1.00 0.00 H ATOM 33 HG3 ARG A 2 6.248 -1.528 2.488 1.00 0.00 H ATOM 34 HD3 ARG A 2 5.252 -0.328 4.744 1.00 0.00 H ATOM 35 HE ARG A 2 3.065 -1.030 4.825 1.00 0.00 H ATOM 36 HH11 ARG A 2 5.110 -3.677 3.857 1.00 0.00 H ATOM 37 HH12 ARG A 2 3.860 -4.868 4.005 1.00 0.00 H ATOM 38 HH21 ARG A 2 1.412 -2.588 5.022 1.00 0.00 H ATOM 39 HH22 ARG A 2 1.756 -4.247 4.666 1.00 0.00 H ATOM 40 N GLY A 3 5.891 2.875 1.122 1.00 0.00 N ATOM 41 CA GLY A 3 5.729 4.272 0.763 1.00 0.00 C ATOM 42 C GLY A 3 5.592 4.475 -0.733 1.00 0.00 C ATOM 43 O GLY A 3 6.156 5.416 -1.292 1.00 0.00 O ATOM 44 H GLY A 3 5.479 2.179 0.569 1.00 0.00 H ATOM 45 HA2 GLY A 3 4.845 4.657 1.250 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.589 4.824 1.113 1.00 0.00 H ATOM 47 N ILE A 4 4.844 3.590 -1.383 1.00 0.00 N ATOM 48 CA ILE A 4 4.638 3.677 -2.823 1.00 0.00 C ATOM 49 C ILE A 4 3.441 4.562 -3.154 1.00 0.00 C ATOM 50 O ILE A 4 3.581 5.593 -3.811 1.00 0.00 O ATOM 51 CB ILE A 4 4.421 2.285 -3.445 1.00 0.00 C ATOM 52 CG1 ILE A 4 5.443 1.290 -2.891 1.00 0.00 C ATOM 53 CG2 ILE A 4 4.516 2.362 -4.962 1.00 0.00 C ATOM 54 CD1 ILE A 4 4.944 0.518 -1.690 1.00 0.00 C ATOM 55 H ILE A 4 4.422 2.862 -0.882 1.00 0.00 H ATOM 56 HA ILE A 4 5.525 4.111 -3.262 1.00 0.00 H ATOM 57 HB ILE A 4 3.427 1.952 -3.187 1.00 0.00 H ATOM 58 HG13 ILE A 4 6.332 1.826 -2.597 1.00 0.00 H ATOM 59 HG21 ILE A 4 4.744 3.376 -5.257 1.00 0.00 H ATOM 60 HG22 ILE A 4 5.298 1.703 -5.306 1.00 0.00 H ATOM 61 HG23 ILE A 4 3.574 2.062 -5.397 1.00 0.00 H ATOM 62 HD11 ILE A 4 4.055 0.993 -1.300 1.00 0.00 H ATOM 63 HD12 ILE A 4 4.711 -0.494 -1.983 1.00 0.00 H ATOM 64 HD13 ILE A 4 5.708 0.507 -0.927 1.00 0.00 H ATOM 65 N VAL A 5 2.263 4.153 -2.694 1.00 0.00 N ATOM 66 CA VAL A 5 1.041 4.909 -2.937 1.00 0.00 C ATOM 67 C VAL A 5 0.584 5.636 -1.678 1.00 0.00 C ATOM 68 O VAL A 5 0.201 6.805 -1.729 1.00 0.00 O ATOM 69 CB VAL A 5 -0.096 3.995 -3.430 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.276 4.824 -3.916 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.404 3.069 -4.530 1.00 0.00 C ATOM 72 H VAL A 5 2.215 3.321 -2.176 1.00 0.00 H ATOM 73 HA VAL A 5 1.248 5.638 -3.708 1.00 0.00 H ATOM 74 HB VAL A 5 -0.429 3.388 -2.602 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.143 5.060 -4.962 1.00 0.00 H ATOM 76 HG12 VAL A 5 -2.189 4.262 -3.787 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.331 5.739 -3.345 1.00 0.00 H ATOM 78 HG21 VAL A 5 -0.400 2.422 -4.849 1.00 0.00 H ATOM 79 HG22 VAL A 5 0.748 3.658 -5.368 1.00 0.00 H ATOM 80 HG23 VAL A 5 1.220 2.470 -4.153 1.00 0.00 H ATOM 81 N GLU A 6 0.628 4.936 -0.549 1.00 0.00 N ATOM 82 CA GLU A 6 0.217 5.515 0.725 1.00 0.00 C ATOM 83 C GLU A 6 -1.254 5.918 0.690 1.00 0.00 C ATOM 84 O GLU A 6 -1.710 6.714 1.511 1.00 0.00 O ATOM 85 CB GLU A 6 1.082 6.733 1.060 1.00 0.00 C ATOM 86 CG GLU A 6 2.570 6.498 0.848 1.00 0.00 C ATOM 87 CD GLU A 6 3.401 6.914 2.045 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.169 6.371 3.146 1.00 0.00 O ATOM 89 OE2 GLU A 6 4.284 7.782 1.881 1.00 0.00 O ATOM 90 H GLU A 6 0.942 4.008 -0.573 1.00 0.00 H ATOM 91 HA GLU A 6 0.354 4.767 1.490 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.925 6.996 2.095 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.891 7.067 -0.011 1.00 0.00 H ATOM 94 N GLN A 7 -1.991 5.365 -0.268 1.00 0.00 N ATOM 95 CA GLN A 7 -3.410 5.667 -0.410 1.00 0.00 C ATOM 96 C GLN A 7 -4.254 4.404 -0.272 1.00 0.00 C ATOM 97 O GLN A 7 -4.067 3.437 -1.014 1.00 0.00 O ATOM 98 CB GLN A 7 -3.679 6.328 -1.764 1.00 0.00 C ATOM 99 CG GLN A 7 -2.989 7.673 -1.931 1.00 0.00 C ATOM 100 CD GLN A 7 -3.642 8.535 -2.993 1.00 0.00 C ATOM 101 OE1 GLN A 7 -3.986 9.692 -2.747 1.00 0.00 O ATOM 102 NE2 GLN A 7 -3.815 7.975 -4.185 1.00 0.00 N ATOM 103 H GLN A 7 -1.570 4.739 -0.892 1.00 0.00 H ATOM 104 HA GLN A 7 -3.683 6.355 0.376 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.742 6.477 -1.874 1.00 0.00 H ATOM 106 HG3 GLN A 7 -1.960 7.504 -2.208 1.00 0.00 H ATOM 107 HE21 GLN A 7 -3.519 7.049 -4.309 1.00 0.00 H ATOM 108 HE22 GLN A 7 -4.236 8.509 -4.891 1.00 0.00 H ATOM 109 N CYS A 8 -5.180 4.417 0.679 1.00 0.00 N ATOM 110 CA CYS A 8 -6.050 3.271 0.915 1.00 0.00 C ATOM 111 C CYS A 8 -7.365 3.423 0.157 1.00 0.00 C ATOM 112 O CYS A 8 -8.430 3.072 0.667 1.00 0.00 O ATOM 113 CB CYS A 8 -6.325 3.112 2.411 1.00 0.00 C ATOM 114 SG CYS A 8 -7.121 4.546 3.172 1.00 0.00 S ATOM 115 H CYS A 8 -5.280 5.217 1.238 1.00 0.00 H ATOM 116 HA CYS A 8 -5.541 2.390 0.555 1.00 0.00 H ATOM 117 HB3 CYS A 8 -5.389 2.942 2.924 1.00 0.00 H ATOM 118 HG CYS A 8 -8.021 4.102 4.037 1.00 0.00 H ATOM 119 N CYS A 9 -7.284 3.949 -1.060 1.00 0.00 N ATOM 120 CA CYS A 9 -8.468 4.150 -1.887 1.00 0.00 C ATOM 121 C CYS A 9 -8.359 3.371 -3.192 1.00 0.00 C ATOM 122 O CYS A 9 -9.364 2.939 -3.758 1.00 0.00 O ATOM 123 CB CYS A 9 -8.663 5.638 -2.183 1.00 0.00 C ATOM 124 SG CYS A 9 -9.761 6.483 -1.021 1.00 0.00 S ATOM 125 H CYS A 9 -6.407 4.209 -1.411 1.00 0.00 H ATOM 126 HA CYS A 9 -9.322 3.786 -1.336 1.00 0.00 H ATOM 127 HB3 CYS A 9 -9.080 5.749 -3.171 1.00 0.00 H ATOM 128 HG CYS A 9 -9.040 6.854 0.027 1.00 0.00 H ATOM 129 N THR A 10 -7.130 3.194 -3.669 1.00 0.00 N ATOM 130 CA THR A 10 -6.888 2.468 -4.910 1.00 0.00 C ATOM 131 C THR A 10 -6.886 0.962 -4.674 1.00 0.00 C ATOM 132 O THR A 10 -7.833 0.266 -5.042 1.00 0.00 O ATOM 133 CB THR A 10 -5.548 2.879 -5.549 1.00 0.00 C ATOM 134 OG1 THR A 10 -5.558 4.278 -5.854 1.00 0.00 O ATOM 135 CG2 THR A 10 -5.285 2.081 -6.817 1.00 0.00 C ATOM 136 H THR A 10 -6.369 3.562 -3.174 1.00 0.00 H ATOM 137 HA THR A 10 -7.682 2.715 -5.600 1.00 0.00 H ATOM 138 HB THR A 10 -4.754 2.678 -4.843 1.00 0.00 H ATOM 139 HG1 THR A 10 -6.053 4.425 -6.663 1.00 0.00 H ATOM 140 HG21 THR A 10 -6.194 2.016 -7.394 1.00 0.00 H ATOM 141 HG22 THR A 10 -4.954 1.087 -6.554 1.00 0.00 H ATOM 142 HG23 THR A 10 -4.521 2.573 -7.400 1.00 0.00 H ATOM 143 N SER A 11 -5.816 0.466 -4.061 1.00 0.00 N ATOM 144 CA SER A 11 -5.690 -0.959 -3.780 1.00 0.00 C ATOM 145 C SER A 11 -4.474 -1.235 -2.901 1.00 0.00 C ATOM 146 O SER A 11 -3.714 -2.170 -3.149 1.00 0.00 O ATOM 147 CB SER A 11 -5.580 -1.750 -5.084 1.00 0.00 C ATOM 148 OG SER A 11 -6.303 -2.966 -5.008 1.00 0.00 O ATOM 149 H SER A 11 -5.094 1.072 -3.793 1.00 0.00 H ATOM 150 HA SER A 11 -6.579 -1.273 -3.253 1.00 0.00 H ATOM 151 HB3 SER A 11 -4.541 -1.975 -5.279 1.00 0.00 H ATOM 152 HG SER A 11 -6.438 -3.317 -5.891 1.00 0.00 H ATOM 153 N ILE A 12 -4.297 -0.411 -1.873 1.00 0.00 N ATOM 154 CA ILE A 12 -3.174 -0.566 -0.957 1.00 0.00 C ATOM 155 C ILE A 12 -3.087 -1.994 -0.430 1.00 0.00 C ATOM 156 O ILE A 12 -2.003 -2.481 -0.105 1.00 0.00 O ATOM 157 CB ILE A 12 -3.285 0.403 0.236 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.933 0.537 0.940 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.351 -0.075 1.210 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.404 1.954 0.970 1.00 0.00 C ATOM 161 H ILE A 12 -4.937 0.317 -1.728 1.00 0.00 H ATOM 162 HA ILE A 12 -2.268 -0.335 -1.499 1.00 0.00 H ATOM 163 HB ILE A 12 -3.583 1.370 -0.140 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.207 -0.079 0.427 1.00 0.00 H ATOM 165 HG21 ILE A 12 -5.281 -0.226 0.682 1.00 0.00 H ATOM 166 HG22 ILE A 12 -4.036 -1.006 1.658 1.00 0.00 H ATOM 167 HG23 ILE A 12 -4.492 0.665 1.983 1.00 0.00 H ATOM 168 HD11 ILE A 12 -2.110 2.590 1.482 1.00 0.00 H ATOM 169 HD12 ILE A 12 -0.459 1.973 1.492 1.00 0.00 H ATOM 170 HD13 ILE A 12 -1.266 2.308 -0.040 1.00 0.00 H ATOM 171 N CYS A 13 -4.233 -2.660 -0.350 1.00 0.00 N ATOM 172 CA CYS A 13 -4.286 -4.034 0.136 1.00 0.00 C ATOM 173 C CYS A 13 -3.314 -4.922 -0.635 1.00 0.00 C ATOM 174 O CYS A 13 -2.818 -5.918 -0.110 1.00 0.00 O ATOM 175 CB CYS A 13 -5.707 -4.586 0.013 1.00 0.00 C ATOM 176 SG CYS A 13 -6.563 -4.778 1.593 1.00 0.00 S ATOM 177 H CYS A 13 -5.063 -2.219 -0.624 1.00 0.00 H ATOM 178 HA CYS A 13 -4.000 -4.029 1.177 1.00 0.00 H ATOM 179 HB3 CYS A 13 -5.669 -5.556 -0.462 1.00 0.00 H ATOM 180 HG CYS A 13 -7.132 -3.619 1.892 1.00 0.00 H ATOM 181 N SER A 14 -3.048 -4.554 -1.884 1.00 0.00 N ATOM 182 CA SER A 14 -2.140 -5.318 -2.730 1.00 0.00 C ATOM 183 C SER A 14 -0.764 -5.434 -2.083 1.00 0.00 C ATOM 184 O SER A 14 -0.004 -6.361 -2.375 1.00 0.00 O ATOM 185 CB SER A 14 -2.015 -4.661 -4.107 1.00 0.00 C ATOM 186 OG SER A 14 -3.218 -4.790 -4.843 1.00 0.00 O ATOM 187 H SER A 14 -3.475 -3.748 -2.247 1.00 0.00 H ATOM 188 HA SER A 14 -2.554 -6.309 -2.850 1.00 0.00 H ATOM 189 HB3 SER A 14 -1.217 -5.136 -4.658 1.00 0.00 H ATOM 190 HG SER A 14 -3.089 -4.447 -5.731 1.00 0.00 H ATOM 191 N LEU A 15 -0.448 -4.489 -1.205 1.00 0.00 N ATOM 192 CA LEU A 15 0.838 -4.485 -0.515 1.00 0.00 C ATOM 193 C LEU A 15 0.648 -4.615 0.992 1.00 0.00 C ATOM 194 O LEU A 15 1.513 -5.140 1.694 1.00 0.00 O ATOM 195 CB LEU A 15 1.606 -3.200 -0.835 1.00 0.00 C ATOM 196 CG LEU A 15 1.243 -1.975 0.005 1.00 0.00 C ATOM 197 CD1 LEU A 15 2.118 -1.901 1.246 1.00 0.00 C ATOM 198 CD2 LEU A 15 1.376 -0.704 -0.821 1.00 0.00 C ATOM 199 H LEU A 15 -1.093 -3.778 -1.016 1.00 0.00 H ATOM 200 HA LEU A 15 1.407 -5.331 -0.869 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.424 -2.957 -1.873 1.00 0.00 H ATOM 202 HG LEU A 15 0.214 -2.058 0.327 1.00 0.00 H ATOM 203 HD11 LEU A 15 2.582 -0.928 1.302 1.00 0.00 H ATOM 204 HD12 LEU A 15 2.882 -2.663 1.193 1.00 0.00 H ATOM 205 HD13 LEU A 15 1.511 -2.061 2.125 1.00 0.00 H ATOM 206 HD21 LEU A 15 2.372 -0.647 -1.236 1.00 0.00 H ATOM 207 HD22 LEU A 15 1.199 0.155 -0.191 1.00 0.00 H ATOM 208 HD23 LEU A 15 0.652 -0.718 -1.623 1.00 0.00 H ATOM 209 N TYR A 16 -0.490 -4.135 1.483 1.00 0.00 N ATOM 210 CA TYR A 16 -0.795 -4.198 2.908 1.00 0.00 C ATOM 211 C TYR A 16 -0.742 -5.636 3.413 1.00 0.00 C ATOM 212 O TYR A 16 -0.208 -5.908 4.487 1.00 0.00 O ATOM 213 CB TYR A 16 -2.175 -3.600 3.182 1.00 0.00 C ATOM 214 CG TYR A 16 -2.228 -2.750 4.432 1.00 0.00 C ATOM 215 CD1 TYR A 16 -1.607 -3.163 5.604 1.00 0.00 C ATOM 216 CD2 TYR A 16 -2.899 -1.533 4.441 1.00 0.00 C ATOM 217 CE1 TYR A 16 -1.653 -2.391 6.750 1.00 0.00 C ATOM 218 CE2 TYR A 16 -2.949 -0.753 5.580 1.00 0.00 C ATOM 219 CZ TYR A 16 -2.326 -1.186 6.731 1.00 0.00 C ATOM 220 OH TYR A 16 -2.374 -0.415 7.869 1.00 0.00 O ATOM 221 H TYR A 16 -1.140 -3.729 0.874 1.00 0.00 H ATOM 222 HA TYR A 16 -0.049 -3.617 3.432 1.00 0.00 H ATOM 223 HB3 TYR A 16 -2.891 -4.399 3.293 1.00 0.00 H ATOM 224 HD1 TYR A 16 -1.082 -4.107 5.615 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.385 -1.196 3.538 1.00 0.00 H ATOM 226 HE1 TYR A 16 -1.167 -2.730 7.650 1.00 0.00 H ATOM 227 HE2 TYR A 16 -3.476 0.190 5.567 1.00 0.00 H ATOM 228 HH TYR A 16 -1.985 0.445 7.689 1.00 0.00 H ATOM 229 N GLN A 17 -1.300 -6.553 2.629 1.00 0.00 N ATOM 230 CA GLN A 17 -1.318 -7.964 2.997 1.00 0.00 C ATOM 231 C GLN A 17 -0.924 -8.840 1.813 1.00 0.00 C ATOM 232 O GLN A 17 -0.745 -10.049 1.954 1.00 0.00 O ATOM 233 CB GLN A 17 -2.706 -8.364 3.502 1.00 0.00 C ATOM 234 CG GLN A 17 -3.194 -7.520 4.668 1.00 0.00 C ATOM 235 CD GLN A 17 -3.320 -8.315 5.952 1.00 0.00 C ATOM 236 OE1 GLN A 17 -2.320 -8.663 6.581 1.00 0.00 O ATOM 237 NE2 GLN A 17 -4.552 -8.607 6.351 1.00 0.00 N ATOM 238 H GLN A 17 -1.711 -6.274 1.785 1.00 0.00 H ATOM 239 HA GLN A 17 -0.600 -8.108 3.790 1.00 0.00 H ATOM 240 HB3 GLN A 17 -2.676 -9.395 3.821 1.00 0.00 H ATOM 241 HG3 GLN A 17 -4.163 -7.112 4.419 1.00 0.00 H ATOM 242 HE21 GLN A 17 -5.303 -8.298 5.800 1.00 0.00 H ATOM 243 HE22 GLN A 17 -4.663 -9.121 7.176 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 5 ATOM 1 N LYS A 1 9.997 -2.455 1.387 1.00 0.00 N ATOM 2 CA LYS A 1 9.241 -1.643 2.333 1.00 0.00 C ATOM 3 C LYS A 1 8.031 -1.005 1.657 1.00 0.00 C ATOM 4 O LYS A 1 7.764 -1.252 0.481 1.00 0.00 O ATOM 5 CB LYS A 1 10.135 -0.558 2.935 1.00 0.00 C ATOM 6 CG LYS A 1 10.771 0.352 1.897 1.00 0.00 C ATOM 7 CD LYS A 1 11.517 1.504 2.547 1.00 0.00 C ATOM 8 CE LYS A 1 11.947 2.539 1.520 1.00 0.00 C ATOM 9 NZ LYS A 1 13.429 2.637 1.418 1.00 0.00 N ATOM 10 H1 LYS A 1 9.563 -3.224 0.962 1.00 0.00 H ATOM 11 HA LYS A 1 8.895 -2.292 3.124 1.00 0.00 H ATOM 12 HB3 LYS A 1 10.925 -1.032 3.501 1.00 0.00 H ATOM 13 HG3 LYS A 1 9.996 0.751 1.257 1.00 0.00 H ATOM 14 HD3 LYS A 1 12.394 1.119 3.046 1.00 0.00 H ATOM 15 HE3 LYS A 1 11.551 3.501 1.809 1.00 0.00 H ATOM 16 HZ1 LYS A 1 13.867 1.725 1.662 1.00 0.00 H ATOM 17 HZ2 LYS A 1 13.784 3.365 2.073 1.00 0.00 H ATOM 18 HZ3 LYS A 1 13.706 2.895 0.449 1.00 0.00 H ATOM 19 N ARG A 2 7.307 -0.181 2.408 1.00 0.00 N ATOM 20 CA ARG A 2 6.127 0.494 1.880 1.00 0.00 C ATOM 21 C ARG A 2 6.419 1.966 1.607 1.00 0.00 C ATOM 22 O ARG A 2 7.569 2.400 1.650 1.00 0.00 O ATOM 23 CB ARG A 2 4.960 0.368 2.863 1.00 0.00 C ATOM 24 CG ARG A 2 4.670 -1.063 3.283 1.00 0.00 C ATOM 25 CD ARG A 2 5.495 -1.466 4.496 1.00 0.00 C ATOM 26 NE ARG A 2 4.695 -1.488 5.717 1.00 0.00 N ATOM 27 CZ ARG A 2 3.910 -2.501 6.065 1.00 0.00 C ATOM 28 NH1 ARG A 2 3.819 -3.570 5.284 1.00 0.00 N ATOM 29 NH2 ARG A 2 3.214 -2.448 7.193 1.00 0.00 N ATOM 30 H ARG A 2 7.572 -0.023 3.338 1.00 0.00 H ATOM 31 HA ARG A 2 5.857 0.013 0.952 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.073 0.772 2.400 1.00 0.00 H ATOM 33 HG3 ARG A 2 4.905 -1.724 2.462 1.00 0.00 H ATOM 34 HD3 ARG A 2 6.302 -0.758 4.616 1.00 0.00 H ATOM 35 HE ARG A 2 4.748 -0.708 6.309 1.00 0.00 H ATOM 36 HH11 ARG A 2 4.343 -3.614 4.434 1.00 0.00 H ATOM 37 HH12 ARG A 2 3.229 -4.333 5.548 1.00 0.00 H ATOM 38 HH21 ARG A 2 3.281 -1.644 7.783 1.00 0.00 H ATOM 39 HH22 ARG A 2 2.623 -3.211 7.453 1.00 0.00 H ATOM 40 N GLY A 3 5.368 2.730 1.324 1.00 0.00 N ATOM 41 CA GLY A 3 5.534 4.145 1.045 1.00 0.00 C ATOM 42 C GLY A 3 5.544 4.446 -0.440 1.00 0.00 C ATOM 43 O GLY A 3 6.296 5.308 -0.899 1.00 0.00 O ATOM 44 H GLY A 3 4.474 2.330 1.302 1.00 0.00 H ATOM 45 HA2 GLY A 3 4.723 4.688 1.506 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.467 4.477 1.475 1.00 0.00 H ATOM 47 N ILE A 4 4.711 3.736 -1.193 1.00 0.00 N ATOM 48 CA ILE A 4 4.629 3.933 -2.634 1.00 0.00 C ATOM 49 C ILE A 4 3.539 4.937 -2.992 1.00 0.00 C ATOM 50 O ILE A 4 3.809 5.977 -3.592 1.00 0.00 O ATOM 51 CB ILE A 4 4.351 2.607 -3.368 1.00 0.00 C ATOM 52 CG1 ILE A 4 5.198 1.481 -2.772 1.00 0.00 C ATOM 53 CG2 ILE A 4 4.630 2.758 -4.857 1.00 0.00 C ATOM 54 CD1 ILE A 4 4.499 0.719 -1.669 1.00 0.00 C ATOM 55 H ILE A 4 4.139 3.065 -0.768 1.00 0.00 H ATOM 56 HA ILE A 4 5.581 4.316 -2.974 1.00 0.00 H ATOM 57 HB ILE A 4 3.306 2.366 -3.245 1.00 0.00 H ATOM 58 HG13 ILE A 4 6.105 1.902 -2.363 1.00 0.00 H ATOM 59 HG21 ILE A 4 3.704 2.680 -5.407 1.00 0.00 H ATOM 60 HG22 ILE A 4 5.079 3.721 -5.042 1.00 0.00 H ATOM 61 HG23 ILE A 4 5.305 1.978 -5.177 1.00 0.00 H ATOM 62 HD11 ILE A 4 4.189 -0.248 -2.038 1.00 0.00 H ATOM 63 HD12 ILE A 4 5.176 0.585 -0.837 1.00 0.00 H ATOM 64 HD13 ILE A 4 3.632 1.273 -1.341 1.00 0.00 H ATOM 65 N VAL A 5 2.304 4.620 -2.616 1.00 0.00 N ATOM 66 CA VAL A 5 1.173 5.496 -2.892 1.00 0.00 C ATOM 67 C VAL A 5 0.577 6.051 -1.603 1.00 0.00 C ATOM 68 O VAL A 5 0.036 7.155 -1.583 1.00 0.00 O ATOM 69 CB VAL A 5 0.070 4.759 -3.676 1.00 0.00 C ATOM 70 CG1 VAL A 5 -0.970 5.743 -4.191 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.675 3.960 -4.821 1.00 0.00 C ATOM 72 H VAL A 5 2.151 3.778 -2.139 1.00 0.00 H ATOM 73 HA VAL A 5 1.526 6.318 -3.497 1.00 0.00 H ATOM 74 HB VAL A 5 -0.421 4.069 -3.005 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.836 5.201 -4.540 1.00 0.00 H ATOM 76 HG12 VAL A 5 -1.259 6.412 -3.394 1.00 0.00 H ATOM 77 HG13 VAL A 5 -0.550 6.313 -5.008 1.00 0.00 H ATOM 78 HG21 VAL A 5 1.184 4.631 -5.498 1.00 0.00 H ATOM 79 HG22 VAL A 5 1.379 3.244 -4.428 1.00 0.00 H ATOM 80 HG23 VAL A 5 -0.110 3.441 -5.353 1.00 0.00 H ATOM 81 N GLU A 6 0.686 5.278 -0.527 1.00 0.00 N ATOM 82 CA GLU A 6 0.158 5.693 0.767 1.00 0.00 C ATOM 83 C GLU A 6 -1.318 6.064 0.659 1.00 0.00 C ATOM 84 O GLU A 6 -1.821 6.880 1.432 1.00 0.00 O ATOM 85 CB GLU A 6 0.955 6.881 1.311 1.00 0.00 C ATOM 86 CG GLU A 6 2.460 6.677 1.262 1.00 0.00 C ATOM 87 CD GLU A 6 3.137 7.012 2.577 1.00 0.00 C ATOM 88 OE1 GLU A 6 2.876 8.108 3.116 1.00 0.00 O ATOM 89 OE2 GLU A 6 3.929 6.179 3.067 1.00 0.00 O ATOM 90 H GLU A 6 1.129 4.408 -0.606 1.00 0.00 H ATOM 91 HA GLU A 6 0.259 4.861 1.449 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.669 7.050 2.338 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.872 7.310 0.491 1.00 0.00 H ATOM 94 N GLN A 7 -2.006 5.460 -0.305 1.00 0.00 N ATOM 95 CA GLN A 7 -3.423 5.727 -0.514 1.00 0.00 C ATOM 96 C GLN A 7 -4.247 4.453 -0.358 1.00 0.00 C ATOM 97 O GLN A 7 -4.026 3.470 -1.065 1.00 0.00 O ATOM 98 CB GLN A 7 -3.651 6.329 -1.901 1.00 0.00 C ATOM 99 CG GLN A 7 -3.224 7.784 -2.011 1.00 0.00 C ATOM 100 CD GLN A 7 -4.334 8.748 -1.641 1.00 0.00 C ATOM 101 OE1 GLN A 7 -4.389 9.247 -0.518 1.00 0.00 O ATOM 102 NE2 GLN A 7 -5.227 9.013 -2.588 1.00 0.00 N ATOM 103 H GLN A 7 -1.548 4.820 -0.888 1.00 0.00 H ATOM 104 HA GLN A 7 -3.740 6.440 0.234 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.702 6.266 -2.139 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.920 7.980 -3.028 1.00 0.00 H ATOM 107 HE21 GLN A 7 -5.119 8.578 -3.460 1.00 0.00 H ATOM 108 HE22 GLN A 7 -5.955 9.632 -2.377 1.00 0.00 H ATOM 109 N CYS A 8 -5.194 4.477 0.572 1.00 0.00 N ATOM 110 CA CYS A 8 -6.050 3.323 0.822 1.00 0.00 C ATOM 111 C CYS A 8 -7.352 3.432 0.035 1.00 0.00 C ATOM 112 O CYS A 8 -8.423 3.079 0.534 1.00 0.00 O ATOM 113 CB CYS A 8 -6.353 3.199 2.316 1.00 0.00 C ATOM 114 SG CYS A 8 -7.183 4.641 3.023 1.00 0.00 S ATOM 115 H CYS A 8 -5.323 5.290 1.105 1.00 0.00 H ATOM 116 HA CYS A 8 -5.521 2.442 0.496 1.00 0.00 H ATOM 117 HB3 CYS A 8 -5.426 3.055 2.851 1.00 0.00 H ATOM 118 HG CYS A 8 -8.276 4.220 3.642 1.00 0.00 H ATOM 119 N CYS A 9 -7.255 3.922 -1.195 1.00 0.00 N ATOM 120 CA CYS A 9 -8.426 4.079 -2.051 1.00 0.00 C ATOM 121 C CYS A 9 -8.278 3.261 -3.330 1.00 0.00 C ATOM 122 O CYS A 9 -9.265 2.793 -3.898 1.00 0.00 O ATOM 123 CB CYS A 9 -8.636 5.555 -2.396 1.00 0.00 C ATOM 124 SG CYS A 9 -9.973 5.853 -3.576 1.00 0.00 S ATOM 125 H CYS A 9 -6.375 4.185 -1.538 1.00 0.00 H ATOM 126 HA CYS A 9 -9.285 3.720 -1.506 1.00 0.00 H ATOM 127 HB3 CYS A 9 -7.727 5.950 -2.822 1.00 0.00 H ATOM 128 HG CYS A 9 -10.738 6.819 -3.090 1.00 0.00 H ATOM 129 N THR A 10 -7.039 3.094 -3.779 1.00 0.00 N ATOM 130 CA THR A 10 -6.762 2.336 -4.993 1.00 0.00 C ATOM 131 C THR A 10 -6.749 0.837 -4.714 1.00 0.00 C ATOM 132 O THR A 10 -7.687 0.122 -5.065 1.00 0.00 O ATOM 133 CB THR A 10 -5.412 2.742 -5.614 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.445 2.968 -4.582 1.00 0.00 O ATOM 135 CG2 THR A 10 -5.562 3.997 -6.459 1.00 0.00 C ATOM 136 H THR A 10 -6.293 3.490 -3.283 1.00 0.00 H ATOM 137 HA THR A 10 -7.544 2.551 -5.707 1.00 0.00 H ATOM 138 HB THR A 10 -5.069 1.937 -6.249 1.00 0.00 H ATOM 139 HG1 THR A 10 -3.564 2.944 -4.959 1.00 0.00 H ATOM 140 HG21 THR A 10 -4.623 4.222 -6.940 1.00 0.00 H ATOM 141 HG22 THR A 10 -5.851 4.825 -5.827 1.00 0.00 H ATOM 142 HG23 THR A 10 -6.322 3.838 -7.211 1.00 0.00 H ATOM 143 N SER A 11 -5.679 0.367 -4.079 1.00 0.00 N ATOM 144 CA SER A 11 -5.543 -1.048 -3.754 1.00 0.00 C ATOM 145 C SER A 11 -4.376 -1.275 -2.798 1.00 0.00 C ATOM 146 O SER A 11 -3.547 -2.160 -3.013 1.00 0.00 O ATOM 147 CB SER A 11 -5.338 -1.867 -5.031 1.00 0.00 C ATOM 148 OG SER A 11 -6.575 -2.146 -5.663 1.00 0.00 O ATOM 149 H SER A 11 -4.964 0.988 -3.825 1.00 0.00 H ATOM 150 HA SER A 11 -6.455 -1.368 -3.274 1.00 0.00 H ATOM 151 HB3 SER A 11 -4.857 -2.802 -4.781 1.00 0.00 H ATOM 152 HG SER A 11 -7.258 -2.250 -4.997 1.00 0.00 H ATOM 153 N ILE A 12 -4.321 -0.473 -1.740 1.00 0.00 N ATOM 154 CA ILE A 12 -3.258 -0.586 -0.750 1.00 0.00 C ATOM 155 C ILE A 12 -3.132 -2.019 -0.242 1.00 0.00 C ATOM 156 O ILE A 12 -2.049 -2.457 0.148 1.00 0.00 O ATOM 157 CB ILE A 12 -3.501 0.351 0.447 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.218 0.515 1.263 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.626 -0.186 1.321 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.746 1.950 1.364 1.00 0.00 C ATOM 161 H ILE A 12 -5.012 0.213 -1.624 1.00 0.00 H ATOM 162 HA ILE A 12 -2.330 -0.300 -1.223 1.00 0.00 H ATOM 163 HB ILE A 12 -3.803 1.315 0.066 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.430 -0.062 0.801 1.00 0.00 H ATOM 165 HG21 ILE A 12 -4.321 -1.120 1.766 1.00 0.00 H ATOM 166 HG22 ILE A 12 -4.847 0.528 2.100 1.00 0.00 H ATOM 167 HG23 ILE A 12 -5.507 -0.346 0.717 1.00 0.00 H ATOM 168 HD11 ILE A 12 -1.549 2.335 0.374 1.00 0.00 H ATOM 169 HD12 ILE A 12 -2.510 2.548 1.837 1.00 0.00 H ATOM 170 HD13 ILE A 12 -0.842 1.989 1.953 1.00 0.00 H ATOM 171 N CYS A 13 -4.245 -2.744 -0.250 1.00 0.00 N ATOM 172 CA CYS A 13 -4.258 -4.128 0.208 1.00 0.00 C ATOM 173 C CYS A 13 -3.245 -4.967 -0.562 1.00 0.00 C ATOM 174 O CYS A 13 -2.750 -5.977 -0.060 1.00 0.00 O ATOM 175 CB CYS A 13 -5.658 -4.726 0.050 1.00 0.00 C ATOM 176 SG CYS A 13 -6.276 -4.717 -1.648 1.00 0.00 S ATOM 177 H CYS A 13 -5.077 -2.339 -0.572 1.00 0.00 H ATOM 178 HA CYS A 13 -3.992 -4.134 1.254 1.00 0.00 H ATOM 179 HB3 CYS A 13 -6.352 -4.163 0.657 1.00 0.00 H ATOM 180 HG CYS A 13 -7.216 -5.646 -1.747 1.00 0.00 H ATOM 181 N SER A 14 -2.941 -4.543 -1.783 1.00 0.00 N ATOM 182 CA SER A 14 -1.989 -5.259 -2.626 1.00 0.00 C ATOM 183 C SER A 14 -0.623 -5.343 -1.951 1.00 0.00 C ATOM 184 O SER A 14 0.176 -6.233 -2.251 1.00 0.00 O ATOM 185 CB SER A 14 -1.856 -4.565 -3.984 1.00 0.00 C ATOM 186 OG SER A 14 -0.734 -3.702 -4.008 1.00 0.00 O ATOM 187 H SER A 14 -3.368 -3.731 -2.128 1.00 0.00 H ATOM 188 HA SER A 14 -2.366 -6.258 -2.777 1.00 0.00 H ATOM 189 HB3 SER A 14 -2.746 -3.985 -4.177 1.00 0.00 H ATOM 190 HG SER A 14 -0.009 -4.130 -4.470 1.00 0.00 H ATOM 191 N LEU A 15 -0.362 -4.414 -1.039 1.00 0.00 N ATOM 192 CA LEU A 15 0.906 -4.383 -0.319 1.00 0.00 C ATOM 193 C LEU A 15 0.689 -4.566 1.179 1.00 0.00 C ATOM 194 O LEU A 15 1.555 -5.083 1.884 1.00 0.00 O ATOM 195 CB LEU A 15 1.633 -3.062 -0.584 1.00 0.00 C ATOM 196 CG LEU A 15 1.222 -1.882 0.299 1.00 0.00 C ATOM 197 CD1 LEU A 15 2.084 -1.825 1.549 1.00 0.00 C ATOM 198 CD2 LEU A 15 1.316 -0.578 -0.479 1.00 0.00 C ATOM 199 H LEU A 15 -1.037 -3.732 -0.843 1.00 0.00 H ATOM 200 HA LEU A 15 1.515 -5.197 -0.685 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.452 -2.787 -1.613 1.00 0.00 H ATOM 202 HG LEU A 15 0.194 -2.014 0.608 1.00 0.00 H ATOM 203 HD11 LEU A 15 2.148 -0.805 1.896 1.00 0.00 H ATOM 204 HD12 LEU A 15 3.074 -2.190 1.320 1.00 0.00 H ATOM 205 HD13 LEU A 15 1.643 -2.440 2.320 1.00 0.00 H ATOM 206 HD21 LEU A 15 0.825 -0.691 -1.434 1.00 0.00 H ATOM 207 HD22 LEU A 15 2.355 -0.326 -0.634 1.00 0.00 H ATOM 208 HD23 LEU A 15 0.836 0.210 0.083 1.00 0.00 H ATOM 209 N TYR A 16 -0.476 -4.140 1.658 1.00 0.00 N ATOM 210 CA TYR A 16 -0.808 -4.258 3.072 1.00 0.00 C ATOM 211 C TYR A 16 -0.713 -5.709 3.536 1.00 0.00 C ATOM 212 O TYR A 16 -0.263 -5.986 4.647 1.00 0.00 O ATOM 213 CB TYR A 16 -2.215 -3.718 3.333 1.00 0.00 C ATOM 214 CG TYR A 16 -2.297 -2.793 4.525 1.00 0.00 C ATOM 215 CD1 TYR A 16 -1.811 -3.181 5.767 1.00 0.00 C ATOM 216 CD2 TYR A 16 -2.863 -1.528 4.409 1.00 0.00 C ATOM 217 CE1 TYR A 16 -1.884 -2.338 6.858 1.00 0.00 C ATOM 218 CE2 TYR A 16 -2.940 -0.677 5.496 1.00 0.00 C ATOM 219 CZ TYR A 16 -2.450 -1.088 6.718 1.00 0.00 C ATOM 220 OH TYR A 16 -2.524 -0.244 7.804 1.00 0.00 O ATOM 221 H TYR A 16 -1.126 -3.738 1.046 1.00 0.00 H ATOM 222 HA TYR A 16 -0.098 -3.666 3.631 1.00 0.00 H ATOM 223 HB3 TYR A 16 -2.885 -4.548 3.510 1.00 0.00 H ATOM 224 HD1 TYR A 16 -1.368 -4.160 5.873 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.246 -1.210 3.451 1.00 0.00 H ATOM 226 HE1 TYR A 16 -1.500 -2.658 7.816 1.00 0.00 H ATOM 227 HE2 TYR A 16 -3.383 0.302 5.387 1.00 0.00 H ATOM 228 HH TYR A 16 -2.836 0.618 7.518 1.00 0.00 H ATOM 229 N GLN A 17 -1.140 -6.627 2.676 1.00 0.00 N ATOM 230 CA GLN A 17 -1.104 -8.049 2.998 1.00 0.00 C ATOM 231 C GLN A 17 0.334 -8.542 3.126 1.00 0.00 C ATOM 232 O GLN A 17 0.598 -9.556 3.771 1.00 0.00 O ATOM 233 CB GLN A 17 -1.838 -8.854 1.924 1.00 0.00 C ATOM 234 CG GLN A 17 -1.122 -8.876 0.583 1.00 0.00 C ATOM 235 CD GLN A 17 -1.903 -9.617 -0.483 1.00 0.00 C ATOM 236 OE1 GLN A 17 -2.306 -9.036 -1.491 1.00 0.00 O ATOM 237 NE2 GLN A 17 -2.121 -10.908 -0.268 1.00 0.00 N ATOM 238 H GLN A 17 -1.489 -6.341 1.807 1.00 0.00 H ATOM 239 HA GLN A 17 -1.604 -8.187 3.944 1.00 0.00 H ATOM 240 HB3 GLN A 17 -2.818 -8.426 1.778 1.00 0.00 H ATOM 241 HG3 GLN A 17 -0.164 -9.358 0.709 1.00 0.00 H ATOM 242 HE21 GLN A 17 -1.770 -11.306 0.559 1.00 0.00 H ATOM 243 HE22 GLN A 17 -2.623 -11.413 -0.940 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 6 ATOM 1 N LYS A 1 9.509 -2.944 1.257 1.00 0.00 N ATOM 2 CA LYS A 1 9.063 -1.827 2.083 1.00 0.00 C ATOM 3 C LYS A 1 7.848 -1.145 1.463 1.00 0.00 C ATOM 4 O LYS A 1 7.505 -1.396 0.309 1.00 0.00 O ATOM 5 CB LYS A 1 10.196 -0.813 2.259 1.00 0.00 C ATOM 6 CG LYS A 1 10.433 -0.412 3.706 1.00 0.00 C ATOM 7 CD LYS A 1 11.358 -1.388 4.411 1.00 0.00 C ATOM 8 CE LYS A 1 10.655 -2.093 5.561 1.00 0.00 C ATOM 9 NZ LYS A 1 11.327 -3.373 5.920 1.00 0.00 N ATOM 10 H1 LYS A 1 8.913 -3.291 0.561 1.00 0.00 H ATOM 11 HA LYS A 1 8.787 -2.218 3.050 1.00 0.00 H ATOM 12 HB3 LYS A 1 9.958 0.077 1.696 1.00 0.00 H ATOM 13 HG3 LYS A 1 9.484 -0.391 4.223 1.00 0.00 H ATOM 14 HD3 LYS A 1 12.210 -0.846 4.798 1.00 0.00 H ATOM 15 HE3 LYS A 1 9.637 -2.300 5.268 1.00 0.00 H ATOM 16 HZ1 LYS A 1 12.309 -3.370 5.579 1.00 0.00 H ATOM 17 HZ2 LYS A 1 10.822 -4.173 5.488 1.00 0.00 H ATOM 18 HZ3 LYS A 1 11.329 -3.496 6.953 1.00 0.00 H ATOM 19 N ARG A 2 7.201 -0.280 2.238 1.00 0.00 N ATOM 20 CA ARG A 2 6.025 0.439 1.766 1.00 0.00 C ATOM 21 C ARG A 2 6.366 1.891 1.445 1.00 0.00 C ATOM 22 O ARG A 2 7.535 2.272 1.414 1.00 0.00 O ATOM 23 CB ARG A 2 4.912 0.384 2.815 1.00 0.00 C ATOM 24 CG ARG A 2 4.579 -1.024 3.277 1.00 0.00 C ATOM 25 CD ARG A 2 5.450 -1.447 4.450 1.00 0.00 C ATOM 26 NE ARG A 2 4.719 -1.410 5.714 1.00 0.00 N ATOM 27 CZ ARG A 2 3.907 -2.379 6.121 1.00 0.00 C ATOM 28 NH1 ARG A 2 3.722 -3.455 5.369 1.00 0.00 N ATOM 29 NH2 ARG A 2 3.277 -2.274 7.285 1.00 0.00 N ATOM 30 H ARG A 2 7.523 -0.122 3.152 1.00 0.00 H ATOM 31 HA ARG A 2 5.681 -0.045 0.863 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.019 0.824 2.397 1.00 0.00 H ATOM 33 HG3 ARG A 2 4.737 -1.709 2.456 1.00 0.00 H ATOM 34 HD3 ARG A 2 6.295 -0.777 4.512 1.00 0.00 H ATOM 35 HE ARG A 2 4.841 -0.625 6.286 1.00 0.00 H ATOM 36 HH11 ARG A 2 4.196 -3.538 4.491 1.00 0.00 H ATOM 37 HH12 ARG A 2 3.111 -4.183 5.677 1.00 0.00 H ATOM 38 HH21 ARG A 2 3.415 -1.465 7.855 1.00 0.00 H ATOM 39 HH22 ARG A 2 2.666 -3.004 7.590 1.00 0.00 H ATOM 40 N GLY A 3 5.336 2.698 1.209 1.00 0.00 N ATOM 41 CA GLY A 3 5.549 4.099 0.894 1.00 0.00 C ATOM 42 C GLY A 3 5.490 4.374 -0.595 1.00 0.00 C ATOM 43 O GLY A 3 6.260 5.182 -1.115 1.00 0.00 O ATOM 44 H GLY A 3 4.426 2.340 1.248 1.00 0.00 H ATOM 45 HA2 GLY A 3 4.790 4.687 1.389 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.519 4.396 1.264 1.00 0.00 H ATOM 47 N ILE A 4 4.574 3.699 -1.285 1.00 0.00 N ATOM 48 CA ILE A 4 4.419 3.875 -2.723 1.00 0.00 C ATOM 49 C ILE A 4 3.353 4.919 -3.037 1.00 0.00 C ATOM 50 O ILE A 4 3.633 5.934 -3.676 1.00 0.00 O ATOM 51 CB ILE A 4 4.045 2.550 -3.415 1.00 0.00 C ATOM 52 CG1 ILE A 4 4.866 1.398 -2.835 1.00 0.00 C ATOM 53 CG2 ILE A 4 4.259 2.659 -4.917 1.00 0.00 C ATOM 54 CD1 ILE A 4 4.188 0.694 -1.679 1.00 0.00 C ATOM 55 H ILE A 4 3.990 3.069 -0.814 1.00 0.00 H ATOM 56 HA ILE A 4 5.366 4.211 -3.122 1.00 0.00 H ATOM 57 HB ILE A 4 2.996 2.363 -3.237 1.00 0.00 H ATOM 58 HG13 ILE A 4 5.812 1.782 -2.482 1.00 0.00 H ATOM 59 HG21 ILE A 4 4.890 1.848 -5.249 1.00 0.00 H ATOM 60 HG22 ILE A 4 3.307 2.602 -5.421 1.00 0.00 H ATOM 61 HG23 ILE A 4 4.733 3.601 -5.146 1.00 0.00 H ATOM 62 HD11 ILE A 4 3.815 -0.265 -2.011 1.00 0.00 H ATOM 63 HD12 ILE A 4 4.899 0.546 -0.881 1.00 0.00 H ATOM 64 HD13 ILE A 4 3.366 1.296 -1.323 1.00 0.00 H ATOM 65 N VAL A 5 2.130 4.664 -2.583 1.00 0.00 N ATOM 66 CA VAL A 5 1.022 5.584 -2.812 1.00 0.00 C ATOM 67 C VAL A 5 0.481 6.131 -1.495 1.00 0.00 C ATOM 68 O VAL A 5 -0.012 7.256 -1.438 1.00 0.00 O ATOM 69 CB VAL A 5 -0.123 4.901 -3.582 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.130 5.932 -4.068 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.426 4.090 -4.746 1.00 0.00 C ATOM 72 H VAL A 5 1.970 3.838 -2.080 1.00 0.00 H ATOM 73 HA VAL A 5 1.390 6.406 -3.408 1.00 0.00 H ATOM 74 HB VAL A 5 -0.630 4.225 -2.908 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.987 5.428 -4.489 1.00 0.00 H ATOM 76 HG12 VAL A 5 -1.445 6.547 -3.237 1.00 0.00 H ATOM 77 HG13 VAL A 5 -0.672 6.553 -4.824 1.00 0.00 H ATOM 78 HG21 VAL A 5 0.951 4.745 -5.425 1.00 0.00 H ATOM 79 HG22 VAL A 5 1.106 3.339 -4.371 1.00 0.00 H ATOM 80 HG23 VAL A 5 -0.388 3.609 -5.267 1.00 0.00 H ATOM 81 N GLU A 6 0.577 5.325 -0.442 1.00 0.00 N ATOM 82 CA GLU A 6 0.095 5.731 0.874 1.00 0.00 C ATOM 83 C GLU A 6 -1.388 6.088 0.823 1.00 0.00 C ATOM 84 O GLU A 6 -1.883 6.840 1.662 1.00 0.00 O ATOM 85 CB GLU A 6 0.902 6.923 1.391 1.00 0.00 C ATOM 86 CG GLU A 6 2.406 6.729 1.294 1.00 0.00 C ATOM 87 CD GLU A 6 3.116 7.007 2.603 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.015 8.145 3.105 1.00 0.00 O ATOM 89 OE2 GLU A 6 3.775 6.083 3.128 1.00 0.00 O ATOM 90 H GLU A 6 0.980 4.440 -0.552 1.00 0.00 H ATOM 91 HA GLU A 6 0.231 4.897 1.546 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.649 7.090 2.428 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.793 7.401 0.541 1.00 0.00 H ATOM 94 N GLN A 7 -2.089 5.544 -0.165 1.00 0.00 N ATOM 95 CA GLN A 7 -3.514 5.807 -0.325 1.00 0.00 C ATOM 96 C GLN A 7 -4.318 4.513 -0.243 1.00 0.00 C ATOM 97 O GLN A 7 -4.012 3.536 -0.927 1.00 0.00 O ATOM 98 CB GLN A 7 -3.780 6.502 -1.662 1.00 0.00 C ATOM 99 CG GLN A 7 -3.428 7.981 -1.655 1.00 0.00 C ATOM 100 CD GLN A 7 -4.567 8.853 -2.147 1.00 0.00 C ATOM 101 OE1 GLN A 7 -5.296 9.449 -1.353 1.00 0.00 O ATOM 102 NE2 GLN A 7 -4.727 8.931 -3.463 1.00 0.00 N ATOM 103 H GLN A 7 -1.637 4.952 -0.802 1.00 0.00 H ATOM 104 HA GLN A 7 -3.823 6.459 0.478 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.827 6.405 -1.901 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.573 8.137 -2.296 1.00 0.00 H ATOM 107 HE21 GLN A 7 -4.110 8.428 -4.035 1.00 0.00 H ATOM 108 HE22 GLN A 7 -5.457 9.487 -3.808 1.00 0.00 H ATOM 109 N CYS A 8 -5.347 4.515 0.597 1.00 0.00 N ATOM 110 CA CYS A 8 -6.195 3.340 0.770 1.00 0.00 C ATOM 111 C CYS A 8 -7.425 3.422 -0.128 1.00 0.00 C ATOM 112 O CYS A 8 -8.524 3.035 0.272 1.00 0.00 O ATOM 113 CB CYS A 8 -6.624 3.203 2.232 1.00 0.00 C ATOM 114 SG CYS A 8 -5.264 3.351 3.415 1.00 0.00 S ATOM 115 H CYS A 8 -5.542 5.323 1.116 1.00 0.00 H ATOM 116 HA CYS A 8 -5.619 2.471 0.490 1.00 0.00 H ATOM 117 HB3 CYS A 8 -7.083 2.237 2.375 1.00 0.00 H ATOM 118 HG CYS A 8 -5.407 2.397 4.321 1.00 0.00 H ATOM 119 N CYS A 9 -7.234 3.930 -1.341 1.00 0.00 N ATOM 120 CA CYS A 9 -8.330 4.065 -2.294 1.00 0.00 C ATOM 121 C CYS A 9 -8.048 3.267 -3.563 1.00 0.00 C ATOM 122 O CYS A 9 -8.968 2.781 -4.222 1.00 0.00 O ATOM 123 CB CYS A 9 -8.551 5.538 -2.642 1.00 0.00 C ATOM 124 SG CYS A 9 -9.953 5.832 -3.745 1.00 0.00 S ATOM 125 H CYS A 9 -6.336 4.221 -1.602 1.00 0.00 H ATOM 126 HA CYS A 9 -9.222 3.676 -1.829 1.00 0.00 H ATOM 127 HB3 CYS A 9 -7.665 5.924 -3.124 1.00 0.00 H ATOM 128 HG CYS A 9 -9.735 6.970 -4.388 1.00 0.00 H ATOM 129 N THR A 10 -6.768 3.137 -3.902 1.00 0.00 N ATOM 130 CA THR A 10 -6.364 2.402 -5.094 1.00 0.00 C ATOM 131 C THR A 10 -6.362 0.899 -4.837 1.00 0.00 C ATOM 132 O THR A 10 -7.254 0.180 -5.289 1.00 0.00 O ATOM 133 CB THR A 10 -4.964 2.831 -5.572 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.096 3.010 -4.447 1.00 0.00 O ATOM 135 CG2 THR A 10 -5.039 4.122 -6.371 1.00 0.00 C ATOM 136 H THR A 10 -6.081 3.547 -3.336 1.00 0.00 H ATOM 137 HA THR A 10 -7.073 2.622 -5.878 1.00 0.00 H ATOM 138 HB THR A 10 -4.564 2.054 -6.207 1.00 0.00 H ATOM 139 HG1 THR A 10 -4.270 3.863 -4.040 1.00 0.00 H ATOM 140 HG21 THR A 10 -5.779 4.775 -5.934 1.00 0.00 H ATOM 141 HG22 THR A 10 -5.315 3.899 -7.392 1.00 0.00 H ATOM 142 HG23 THR A 10 -4.076 4.610 -6.359 1.00 0.00 H ATOM 143 N SER A 11 -5.355 0.428 -4.109 1.00 0.00 N ATOM 144 CA SER A 11 -5.235 -0.990 -3.794 1.00 0.00 C ATOM 145 C SER A 11 -4.161 -1.224 -2.736 1.00 0.00 C ATOM 146 O SER A 11 -3.300 -2.091 -2.889 1.00 0.00 O ATOM 147 CB SER A 11 -4.903 -1.787 -5.057 1.00 0.00 C ATOM 148 OG SER A 11 -6.073 -2.069 -5.805 1.00 0.00 O ATOM 149 H SER A 11 -4.674 1.052 -3.777 1.00 0.00 H ATOM 150 HA SER A 11 -6.186 -1.326 -3.407 1.00 0.00 H ATOM 151 HB3 SER A 11 -4.433 -2.720 -4.778 1.00 0.00 H ATOM 152 HG SER A 11 -6.219 -1.372 -6.448 1.00 0.00 H ATOM 153 N ILE A 12 -4.219 -0.443 -1.662 1.00 0.00 N ATOM 154 CA ILE A 12 -3.254 -0.565 -0.576 1.00 0.00 C ATOM 155 C ILE A 12 -3.222 -1.986 -0.026 1.00 0.00 C ATOM 156 O ILE A 12 -2.199 -2.441 0.488 1.00 0.00 O ATOM 157 CB ILE A 12 -3.571 0.411 0.571 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.354 0.574 1.484 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.773 -0.077 1.366 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.858 1.999 1.582 1.00 0.00 C ATOM 161 H ILE A 12 -4.928 0.230 -1.598 1.00 0.00 H ATOM 162 HA ILE A 12 -2.278 -0.320 -0.970 1.00 0.00 H ATOM 163 HB ILE A 12 -3.820 1.370 0.141 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.546 -0.035 1.104 1.00 0.00 H ATOM 165 HG21 ILE A 12 -5.048 0.668 2.098 1.00 0.00 H ATOM 166 HG22 ILE A 12 -5.603 -0.246 0.695 1.00 0.00 H ATOM 167 HG23 ILE A 12 -4.524 -0.999 1.867 1.00 0.00 H ATOM 168 HD11 ILE A 12 -2.650 2.631 1.959 1.00 0.00 H ATOM 169 HD12 ILE A 12 -1.015 2.042 2.255 1.00 0.00 H ATOM 170 HD13 ILE A 12 -1.556 2.345 0.605 1.00 0.00 H ATOM 171 N CYS A 13 -4.348 -2.683 -0.136 1.00 0.00 N ATOM 172 CA CYS A 13 -4.450 -4.054 0.350 1.00 0.00 C ATOM 173 C CYS A 13 -3.537 -4.982 -0.447 1.00 0.00 C ATOM 174 O CYS A 13 -3.268 -6.109 -0.032 1.00 0.00 O ATOM 175 CB CYS A 13 -5.896 -4.543 0.261 1.00 0.00 C ATOM 176 SG CYS A 13 -6.714 -4.723 1.864 1.00 0.00 S ATOM 177 H CYS A 13 -5.130 -2.265 -0.555 1.00 0.00 H ATOM 178 HA CYS A 13 -4.139 -4.062 1.382 1.00 0.00 H ATOM 179 HB3 CYS A 13 -5.913 -5.506 -0.227 1.00 0.00 H ATOM 180 HG CYS A 13 -6.936 -6.012 2.067 1.00 0.00 H ATOM 181 N SER A 14 -3.065 -4.500 -1.591 1.00 0.00 N ATOM 182 CA SER A 14 -2.187 -5.288 -2.449 1.00 0.00 C ATOM 183 C SER A 14 -0.759 -5.288 -1.911 1.00 0.00 C ATOM 184 O SER A 14 0.073 -6.096 -2.324 1.00 0.00 O ATOM 185 CB SER A 14 -2.206 -4.739 -3.876 1.00 0.00 C ATOM 186 OG SER A 14 -3.494 -4.867 -4.454 1.00 0.00 O ATOM 187 H SER A 14 -3.316 -3.593 -1.868 1.00 0.00 H ATOM 188 HA SER A 14 -2.556 -6.303 -2.457 1.00 0.00 H ATOM 189 HB3 SER A 14 -1.499 -5.289 -4.480 1.00 0.00 H ATOM 190 HG SER A 14 -3.465 -5.512 -5.164 1.00 0.00 H ATOM 191 N LEU A 15 -0.482 -4.375 -0.986 1.00 0.00 N ATOM 192 CA LEU A 15 0.845 -4.268 -0.389 1.00 0.00 C ATOM 193 C LEU A 15 0.794 -4.559 1.107 1.00 0.00 C ATOM 194 O LEU A 15 1.796 -4.948 1.708 1.00 0.00 O ATOM 195 CB LEU A 15 1.421 -2.872 -0.631 1.00 0.00 C ATOM 196 CG LEU A 15 1.013 -1.794 0.374 1.00 0.00 C ATOM 197 CD1 LEU A 15 2.003 -1.737 1.528 1.00 0.00 C ATOM 198 CD2 LEU A 15 0.910 -0.439 -0.311 1.00 0.00 C ATOM 199 H LEU A 15 -1.186 -3.758 -0.697 1.00 0.00 H ATOM 200 HA LEU A 15 1.482 -4.999 -0.865 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.104 -2.549 -1.612 1.00 0.00 H ATOM 202 HG LEU A 15 0.042 -2.038 0.779 1.00 0.00 H ATOM 203 HD11 LEU A 15 1.538 -2.130 2.419 1.00 0.00 H ATOM 204 HD12 LEU A 15 2.299 -0.713 1.698 1.00 0.00 H ATOM 205 HD13 LEU A 15 2.873 -2.328 1.284 1.00 0.00 H ATOM 206 HD21 LEU A 15 1.818 -0.245 -0.863 1.00 0.00 H ATOM 207 HD22 LEU A 15 0.771 0.330 0.434 1.00 0.00 H ATOM 208 HD23 LEU A 15 0.070 -0.441 -0.988 1.00 0.00 H ATOM 209 N TYR A 16 -0.378 -4.369 1.702 1.00 0.00 N ATOM 210 CA TYR A 16 -0.559 -4.610 3.128 1.00 0.00 C ATOM 211 C TYR A 16 -0.064 -5.999 3.513 1.00 0.00 C ATOM 212 O TYR A 16 0.459 -6.202 4.608 1.00 0.00 O ATOM 213 CB TYR A 16 -2.033 -4.458 3.510 1.00 0.00 C ATOM 214 CG TYR A 16 -2.343 -3.163 4.226 1.00 0.00 C ATOM 215 CD1 TYR A 16 -1.626 -2.781 5.355 1.00 0.00 C ATOM 216 CD2 TYR A 16 -3.352 -2.321 3.776 1.00 0.00 C ATOM 217 CE1 TYR A 16 -1.907 -1.599 6.013 1.00 0.00 C ATOM 218 CE2 TYR A 16 -3.638 -1.136 4.425 1.00 0.00 C ATOM 219 CZ TYR A 16 -2.913 -0.780 5.544 1.00 0.00 C ATOM 220 OH TYR A 16 -3.196 0.398 6.196 1.00 0.00 O ATOM 221 H TYR A 16 -1.139 -4.056 1.170 1.00 0.00 H ATOM 222 HA TYR A 16 0.019 -3.872 3.666 1.00 0.00 H ATOM 223 HB3 TYR A 16 -2.315 -5.273 4.160 1.00 0.00 H ATOM 224 HD1 TYR A 16 -0.840 -3.426 5.719 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.919 -2.603 2.899 1.00 0.00 H ATOM 226 HE1 TYR A 16 -1.339 -1.320 6.887 1.00 0.00 H ATOM 227 HE2 TYR A 16 -4.427 -0.495 4.060 1.00 0.00 H ATOM 228 HH TYR A 16 -3.732 0.957 5.629 1.00 0.00 H ATOM 229 N GLN A 17 -0.230 -6.953 2.603 1.00 0.00 N ATOM 230 CA GLN A 17 0.200 -8.324 2.845 1.00 0.00 C ATOM 231 C GLN A 17 0.702 -8.973 1.560 1.00 0.00 C ATOM 232 O GLN A 17 0.922 -8.297 0.556 1.00 0.00 O ATOM 233 CB GLN A 17 -0.951 -9.146 3.429 1.00 0.00 C ATOM 234 CG GLN A 17 -1.693 -8.442 4.553 1.00 0.00 C ATOM 235 CD GLN A 17 -2.740 -9.324 5.204 1.00 0.00 C ATOM 236 OE1 GLN A 17 -3.924 -9.252 4.870 1.00 0.00 O ATOM 237 NE2 GLN A 17 -2.310 -10.160 6.141 1.00 0.00 N ATOM 238 H GLN A 17 -0.654 -6.729 1.748 1.00 0.00 H ATOM 239 HA GLN A 17 1.008 -8.297 3.560 1.00 0.00 H ATOM 240 HB3 GLN A 17 -0.555 -10.074 3.817 1.00 0.00 H ATOM 241 HG3 GLN A 17 -2.180 -7.566 4.150 1.00 0.00 H ATOM 242 HE21 GLN A 17 -1.353 -10.161 6.357 1.00 0.00 H ATOM 243 HE22 GLN A 17 -2.965 -10.742 6.578 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 7 ATOM 1 N LYS A 1 10.148 -2.382 3.474 1.00 0.00 N ATOM 2 CA LYS A 1 9.252 -1.280 3.799 1.00 0.00 C ATOM 3 C LYS A 1 8.372 -0.924 2.605 1.00 0.00 C ATOM 4 O LYS A 1 8.427 -1.580 1.565 1.00 0.00 O ATOM 5 CB LYS A 1 10.055 -0.055 4.240 1.00 0.00 C ATOM 6 CG LYS A 1 10.978 0.486 3.160 1.00 0.00 C ATOM 7 CD LYS A 1 11.236 1.973 3.340 1.00 0.00 C ATOM 8 CE LYS A 1 11.584 2.643 2.021 1.00 0.00 C ATOM 9 NZ LYS A 1 10.379 2.860 1.173 1.00 0.00 N ATOM 10 H1 LYS A 1 11.081 -2.346 3.778 1.00 0.00 H ATOM 11 HA LYS A 1 8.619 -1.597 4.615 1.00 0.00 H ATOM 12 HB3 LYS A 1 10.656 -0.322 5.097 1.00 0.00 H ATOM 13 HG3 LYS A 1 10.522 0.324 2.194 1.00 0.00 H ATOM 14 HD3 LYS A 1 12.058 2.106 4.030 1.00 0.00 H ATOM 15 HE3 LYS A 1 12.280 2.012 1.486 1.00 0.00 H ATOM 16 HZ1 LYS A 1 9.543 2.440 1.628 1.00 0.00 H ATOM 17 HZ2 LYS A 1 10.514 2.420 0.241 1.00 0.00 H ATOM 18 HZ3 LYS A 1 10.214 3.878 1.043 1.00 0.00 H ATOM 19 N ARG A 2 7.565 0.120 2.760 1.00 0.00 N ATOM 20 CA ARG A 2 6.675 0.564 1.694 1.00 0.00 C ATOM 21 C ARG A 2 6.629 2.088 1.625 1.00 0.00 C ATOM 22 O ARG A 2 7.359 2.775 2.336 1.00 0.00 O ATOM 23 CB ARG A 2 5.267 0.010 1.914 1.00 0.00 C ATOM 24 CG ARG A 2 4.699 0.315 3.291 1.00 0.00 C ATOM 25 CD ARG A 2 5.104 -0.740 4.308 1.00 0.00 C ATOM 26 NE ARG A 2 3.984 -1.604 4.674 1.00 0.00 N ATOM 27 CZ ARG A 2 3.959 -2.344 5.778 1.00 0.00 C ATOM 28 NH1 ARG A 2 4.985 -2.325 6.617 1.00 0.00 N ATOM 29 NH2 ARG A 2 2.905 -3.104 6.042 1.00 0.00 N ATOM 30 H ARG A 2 7.568 0.604 3.614 1.00 0.00 H ATOM 31 HA ARG A 2 7.061 0.184 0.761 1.00 0.00 H ATOM 32 HB3 ARG A 2 5.292 -1.062 1.789 1.00 0.00 H ATOM 33 HG3 ARG A 2 3.621 0.348 3.226 1.00 0.00 H ATOM 34 HD3 ARG A 2 5.470 -0.244 5.195 1.00 0.00 H ATOM 35 HE ARG A 2 3.216 -1.633 4.068 1.00 0.00 H ATOM 36 HH11 ARG A 2 5.779 -1.751 6.420 1.00 0.00 H ATOM 37 HH12 ARG A 2 4.962 -2.883 7.446 1.00 0.00 H ATOM 38 HH21 ARG A 2 2.129 -3.122 5.411 1.00 0.00 H ATOM 39 HH22 ARG A 2 2.885 -3.661 6.872 1.00 0.00 H ATOM 40 N GLY A 3 5.765 2.609 0.758 1.00 0.00 N ATOM 41 CA GLY A 3 5.639 4.047 0.610 1.00 0.00 C ATOM 42 C GLY A 3 5.425 4.464 -0.832 1.00 0.00 C ATOM 43 O GLY A 3 5.996 5.455 -1.288 1.00 0.00 O ATOM 44 H GLY A 3 5.207 2.011 0.216 1.00 0.00 H ATOM 45 HA2 GLY A 3 4.802 4.388 1.200 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.540 4.515 0.978 1.00 0.00 H ATOM 47 N ILE A 4 4.603 3.707 -1.550 1.00 0.00 N ATOM 48 CA ILE A 4 4.317 4.005 -2.948 1.00 0.00 C ATOM 49 C ILE A 4 3.139 4.964 -3.076 1.00 0.00 C ATOM 50 O ILE A 4 3.285 6.080 -3.574 1.00 0.00 O ATOM 51 CB ILE A 4 4.008 2.723 -3.744 1.00 0.00 C ATOM 52 CG1 ILE A 4 5.022 1.627 -3.402 1.00 0.00 C ATOM 53 CG2 ILE A 4 4.018 3.012 -5.237 1.00 0.00 C ATOM 54 CD1 ILE A 4 4.567 0.710 -2.289 1.00 0.00 C ATOM 55 H ILE A 4 4.178 2.931 -1.129 1.00 0.00 H ATOM 56 HA ILE A 4 5.194 4.468 -3.375 1.00 0.00 H ATOM 57 HB ILE A 4 3.020 2.386 -3.472 1.00 0.00 H ATOM 58 HG13 ILE A 4 5.949 2.089 -3.095 1.00 0.00 H ATOM 59 HG21 ILE A 4 4.311 4.038 -5.403 1.00 0.00 H ATOM 60 HG22 ILE A 4 4.719 2.354 -5.727 1.00 0.00 H ATOM 61 HG23 ILE A 4 3.029 2.850 -5.640 1.00 0.00 H ATOM 62 HD11 ILE A 4 3.722 1.153 -1.781 1.00 0.00 H ATOM 63 HD12 ILE A 4 4.278 -0.244 -2.703 1.00 0.00 H ATOM 64 HD13 ILE A 4 5.374 0.568 -1.586 1.00 0.00 H ATOM 65 N VAL A 5 1.971 4.524 -2.619 1.00 0.00 N ATOM 66 CA VAL A 5 0.768 5.345 -2.679 1.00 0.00 C ATOM 67 C VAL A 5 0.423 5.916 -1.308 1.00 0.00 C ATOM 68 O VAL A 5 0.014 7.071 -1.193 1.00 0.00 O ATOM 69 CB VAL A 5 -0.436 4.539 -3.204 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.608 5.462 -3.500 1.00 0.00 C ATOM 71 CG2 VAL A 5 -0.046 3.747 -4.444 1.00 0.00 C ATOM 72 H VAL A 5 1.918 3.624 -2.232 1.00 0.00 H ATOM 73 HA VAL A 5 0.953 6.160 -3.363 1.00 0.00 H ATOM 74 HB VAL A 5 -0.739 3.842 -2.437 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.626 6.264 -2.776 1.00 0.00 H ATOM 76 HG12 VAL A 5 -1.502 5.873 -4.492 1.00 0.00 H ATOM 77 HG13 VAL A 5 -2.530 4.902 -3.437 1.00 0.00 H ATOM 78 HG21 VAL A 5 0.279 4.426 -5.218 1.00 0.00 H ATOM 79 HG22 VAL A 5 0.757 3.069 -4.198 1.00 0.00 H ATOM 80 HG23 VAL A 5 -0.898 3.183 -4.794 1.00 0.00 H ATOM 81 N GLU A 6 0.590 5.099 -0.273 1.00 0.00 N ATOM 82 CA GLU A 6 0.297 5.524 1.090 1.00 0.00 C ATOM 83 C GLU A 6 -1.155 5.976 1.217 1.00 0.00 C ATOM 84 O GLU A 6 -1.492 6.771 2.094 1.00 0.00 O ATOM 85 CB GLU A 6 1.234 6.659 1.507 1.00 0.00 C ATOM 86 CG GLU A 6 2.690 6.410 1.147 1.00 0.00 C ATOM 87 CD GLU A 6 3.627 6.644 2.316 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.644 5.805 3.240 1.00 0.00 O ATOM 89 OE2 GLU A 6 4.343 7.668 2.307 1.00 0.00 O ATOM 90 H GLU A 6 0.920 4.190 -0.431 1.00 0.00 H ATOM 91 HA GLU A 6 0.456 4.680 1.742 1.00 0.00 H ATOM 92 HB3 GLU A 6 1.168 6.790 2.577 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.968 7.073 0.342 1.00 0.00 H ATOM 94 N GLN A 7 -2.007 5.464 0.336 1.00 0.00 N ATOM 95 CA GLN A 7 -3.423 5.817 0.349 1.00 0.00 C ATOM 96 C GLN A 7 -4.290 4.580 0.561 1.00 0.00 C ATOM 97 O GLN A 7 -3.819 3.450 0.425 1.00 0.00 O ATOM 98 CB GLN A 7 -3.811 6.509 -0.959 1.00 0.00 C ATOM 99 CG GLN A 7 -3.162 7.871 -1.142 1.00 0.00 C ATOM 100 CD GLN A 7 -3.932 8.760 -2.098 1.00 0.00 C ATOM 101 OE1 GLN A 7 -4.894 9.425 -1.709 1.00 0.00 O ATOM 102 NE2 GLN A 7 -3.513 8.779 -3.358 1.00 0.00 N ATOM 103 H GLN A 7 -1.678 4.836 -0.339 1.00 0.00 H ATOM 104 HA GLN A 7 -3.587 6.499 1.169 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.882 6.638 -0.979 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.163 7.731 -1.529 1.00 0.00 H ATOM 107 HE21 GLN A 7 -2.741 8.222 -3.596 1.00 0.00 H ATOM 108 HE22 GLN A 7 -3.993 9.344 -3.997 1.00 0.00 H ATOM 109 N CYS A 8 -5.556 4.802 0.894 1.00 0.00 N ATOM 110 CA CYS A 8 -6.489 3.703 1.125 1.00 0.00 C ATOM 111 C CYS A 8 -7.667 3.778 0.158 1.00 0.00 C ATOM 112 O CYS A 8 -8.804 3.484 0.525 1.00 0.00 O ATOM 113 CB CYS A 8 -6.996 3.733 2.568 1.00 0.00 C ATOM 114 SG CYS A 8 -7.574 5.357 3.114 1.00 0.00 S ATOM 115 H CYS A 8 -5.873 5.724 0.987 1.00 0.00 H ATOM 116 HA CYS A 8 -5.960 2.779 0.957 1.00 0.00 H ATOM 117 HB3 CYS A 8 -6.197 3.427 3.227 1.00 0.00 H ATOM 118 HG CYS A 8 -8.758 5.576 2.563 1.00 0.00 H ATOM 119 N CYS A 9 -7.386 4.175 -1.078 1.00 0.00 N ATOM 120 CA CYS A 9 -8.422 4.290 -2.098 1.00 0.00 C ATOM 121 C CYS A 9 -8.122 3.378 -3.283 1.00 0.00 C ATOM 122 O CYS A 9 -9.035 2.894 -3.954 1.00 0.00 O ATOM 123 CB CYS A 9 -8.541 5.740 -2.572 1.00 0.00 C ATOM 124 SG CYS A 9 -10.113 6.528 -2.148 1.00 0.00 S ATOM 125 H CYS A 9 -6.459 4.396 -1.312 1.00 0.00 H ATOM 126 HA CYS A 9 -9.358 3.988 -1.654 1.00 0.00 H ATOM 127 HB3 CYS A 9 -8.435 5.769 -3.646 1.00 0.00 H ATOM 128 HG CYS A 9 -10.844 6.596 -3.249 1.00 0.00 H ATOM 129 N THR A 10 -6.838 3.150 -3.537 1.00 0.00 N ATOM 130 CA THR A 10 -6.418 2.298 -4.644 1.00 0.00 C ATOM 131 C THR A 10 -6.148 0.875 -4.170 1.00 0.00 C ATOM 132 O THR A 10 -6.438 0.525 -3.026 1.00 0.00 O ATOM 133 CB THR A 10 -5.152 2.848 -5.327 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.961 2.209 -6.594 1.00 0.00 O ATOM 135 CG2 THR A 10 -3.928 2.631 -4.453 1.00 0.00 C ATOM 136 H THR A 10 -6.158 3.564 -2.967 1.00 0.00 H ATOM 137 HA THR A 10 -7.216 2.279 -5.372 1.00 0.00 H ATOM 138 HB THR A 10 -5.280 3.911 -5.484 1.00 0.00 H ATOM 139 HG1 THR A 10 -5.139 2.834 -7.299 1.00 0.00 H ATOM 140 HG21 THR A 10 -3.193 3.394 -4.664 1.00 0.00 H ATOM 141 HG22 THR A 10 -3.505 1.659 -4.661 1.00 0.00 H ATOM 142 HG23 THR A 10 -4.212 2.684 -3.412 1.00 0.00 H ATOM 143 N SER A 11 -5.588 0.057 -5.056 1.00 0.00 N ATOM 144 CA SER A 11 -5.281 -1.330 -4.729 1.00 0.00 C ATOM 145 C SER A 11 -4.027 -1.420 -3.866 1.00 0.00 C ATOM 146 O SER A 11 -3.019 -2.000 -4.273 1.00 0.00 O ATOM 147 CB SER A 11 -5.094 -2.149 -6.008 1.00 0.00 C ATOM 148 OG SER A 11 -6.139 -1.898 -6.932 1.00 0.00 O ATOM 149 H SER A 11 -5.379 0.394 -5.952 1.00 0.00 H ATOM 150 HA SER A 11 -6.115 -1.733 -4.173 1.00 0.00 H ATOM 151 HB3 SER A 11 -5.092 -3.201 -5.762 1.00 0.00 H ATOM 152 HG SER A 11 -6.432 -2.726 -7.317 1.00 0.00 H ATOM 153 N ILE A 12 -4.094 -0.841 -2.672 1.00 0.00 N ATOM 154 CA ILE A 12 -2.965 -0.856 -1.750 1.00 0.00 C ATOM 155 C ILE A 12 -2.967 -2.120 -0.898 1.00 0.00 C ATOM 156 O ILE A 12 -1.926 -2.548 -0.402 1.00 0.00 O ATOM 157 CB ILE A 12 -2.979 0.375 -0.824 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.619 0.541 -0.142 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.084 0.244 0.213 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.915 1.830 -0.506 1.00 0.00 C ATOM 161 H ILE A 12 -4.924 -0.394 -2.405 1.00 0.00 H ATOM 162 HA ILE A 12 -2.058 -0.830 -2.336 1.00 0.00 H ATOM 163 HB ILE A 12 -3.183 1.248 -1.424 1.00 0.00 H ATOM 164 HG13 ILE A 12 -0.978 -0.280 -0.430 1.00 0.00 H ATOM 165 HG21 ILE A 12 -5.018 0.022 -0.282 1.00 0.00 H ATOM 166 HG22 ILE A 12 -3.842 -0.554 0.899 1.00 0.00 H ATOM 167 HG23 ILE A 12 -4.178 1.171 0.758 1.00 0.00 H ATOM 168 HD11 ILE A 12 0.149 1.654 -0.567 1.00 0.00 H ATOM 169 HD12 ILE A 12 -1.277 2.181 -1.462 1.00 0.00 H ATOM 170 HD13 ILE A 12 -1.113 2.575 0.250 1.00 0.00 H ATOM 171 N CYS A 13 -4.145 -2.715 -0.736 1.00 0.00 N ATOM 172 CA CYS A 13 -4.283 -3.932 0.055 1.00 0.00 C ATOM 173 C CYS A 13 -3.283 -4.991 -0.397 1.00 0.00 C ATOM 174 O CYS A 13 -2.845 -5.824 0.396 1.00 0.00 O ATOM 175 CB CYS A 13 -5.708 -4.477 -0.053 1.00 0.00 C ATOM 176 SG CYS A 13 -6.885 -3.693 1.073 1.00 0.00 S ATOM 177 H CYS A 13 -4.939 -2.326 -1.156 1.00 0.00 H ATOM 178 HA CYS A 13 -4.079 -3.682 1.086 1.00 0.00 H ATOM 179 HB3 CYS A 13 -5.697 -5.535 0.164 1.00 0.00 H ATOM 180 HG CYS A 13 -6.776 -4.282 2.254 1.00 0.00 H ATOM 181 N SER A 14 -2.931 -4.956 -1.679 1.00 0.00 N ATOM 182 CA SER A 14 -1.988 -5.917 -2.240 1.00 0.00 C ATOM 183 C SER A 14 -0.674 -5.901 -1.467 1.00 0.00 C ATOM 184 O SER A 14 0.060 -6.891 -1.448 1.00 0.00 O ATOM 185 CB SER A 14 -1.730 -5.606 -3.715 1.00 0.00 C ATOM 186 OG SER A 14 -2.891 -5.831 -4.495 1.00 0.00 O ATOM 187 H SER A 14 -3.317 -4.267 -2.261 1.00 0.00 H ATOM 188 HA SER A 14 -2.429 -6.899 -2.159 1.00 0.00 H ATOM 189 HB3 SER A 14 -0.936 -6.243 -4.081 1.00 0.00 H ATOM 190 HG SER A 14 -2.799 -6.653 -4.980 1.00 0.00 H ATOM 191 N LEU A 15 -0.382 -4.774 -0.829 1.00 0.00 N ATOM 192 CA LEU A 15 0.846 -4.629 -0.054 1.00 0.00 C ATOM 193 C LEU A 15 0.533 -4.392 1.421 1.00 0.00 C ATOM 194 O LEU A 15 1.337 -4.713 2.295 1.00 0.00 O ATOM 195 CB LEU A 15 1.684 -3.472 -0.602 1.00 0.00 C ATOM 196 CG LEU A 15 1.317 -2.078 -0.092 1.00 0.00 C ATOM 197 CD1 LEU A 15 2.198 -1.690 1.086 1.00 0.00 C ATOM 198 CD2 LEU A 15 1.438 -1.053 -1.210 1.00 0.00 C ATOM 199 H LEU A 15 -1.005 -4.020 -0.880 1.00 0.00 H ATOM 200 HA LEU A 15 1.407 -5.546 -0.147 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.582 -3.471 -1.677 1.00 0.00 H ATOM 202 HG LEU A 15 0.291 -2.084 0.247 1.00 0.00 H ATOM 203 HD11 LEU A 15 3.110 -1.241 0.721 1.00 0.00 H ATOM 204 HD12 LEU A 15 2.437 -2.573 1.662 1.00 0.00 H ATOM 205 HD13 LEU A 15 1.672 -0.983 1.711 1.00 0.00 H ATOM 206 HD21 LEU A 15 0.871 -1.386 -2.067 1.00 0.00 H ATOM 207 HD22 LEU A 15 2.477 -0.944 -1.488 1.00 0.00 H ATOM 208 HD23 LEU A 15 1.055 -0.101 -0.870 1.00 0.00 H ATOM 209 N TYR A 16 -0.641 -3.831 1.688 1.00 0.00 N ATOM 210 CA TYR A 16 -1.059 -3.551 3.056 1.00 0.00 C ATOM 211 C TYR A 16 -1.351 -4.844 3.812 1.00 0.00 C ATOM 212 O TYR A 16 -1.078 -4.952 5.007 1.00 0.00 O ATOM 213 CB TYR A 16 -2.300 -2.656 3.059 1.00 0.00 C ATOM 214 CG TYR A 16 -2.025 -1.241 3.516 1.00 0.00 C ATOM 215 CD1 TYR A 16 -0.880 -0.569 3.108 1.00 0.00 C ATOM 216 CD2 TYR A 16 -2.911 -0.577 4.355 1.00 0.00 C ATOM 217 CE1 TYR A 16 -0.625 0.724 3.524 1.00 0.00 C ATOM 218 CE2 TYR A 16 -2.664 0.716 4.774 1.00 0.00 C ATOM 219 CZ TYR A 16 -1.520 1.362 4.357 1.00 0.00 C ATOM 220 OH TYR A 16 -1.269 2.650 4.771 1.00 0.00 O ATOM 221 H TYR A 16 -1.239 -3.596 0.949 1.00 0.00 H ATOM 222 HA TYR A 16 -0.253 -3.031 3.551 1.00 0.00 H ATOM 223 HB3 TYR A 16 -3.041 -3.081 3.722 1.00 0.00 H ATOM 224 HD1 TYR A 16 -0.182 -1.071 2.455 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.807 -1.085 4.681 1.00 0.00 H ATOM 226 HE1 TYR A 16 0.272 1.230 3.196 1.00 0.00 H ATOM 227 HE2 TYR A 16 -3.365 1.216 5.427 1.00 0.00 H ATOM 228 HH TYR A 16 -0.328 2.757 4.935 1.00 0.00 H ATOM 229 N GLN A 17 -1.906 -5.823 3.104 1.00 0.00 N ATOM 230 CA GLN A 17 -2.233 -7.110 3.708 1.00 0.00 C ATOM 231 C GLN A 17 -3.189 -6.931 4.883 1.00 0.00 C ATOM 232 O GLN A 17 -4.402 -6.827 4.700 1.00 0.00 O ATOM 233 CB GLN A 17 -0.960 -7.818 4.174 1.00 0.00 C ATOM 234 CG GLN A 17 0.043 -8.061 3.059 1.00 0.00 C ATOM 235 CD GLN A 17 -0.437 -9.092 2.055 1.00 0.00 C ATOM 236 OE1 GLN A 17 -1.304 -8.811 1.227 1.00 0.00 O ATOM 237 NE2 GLN A 17 0.124 -10.293 2.125 1.00 0.00 N ATOM 238 H GLN A 17 -2.100 -5.677 2.157 1.00 0.00 H ATOM 239 HA GLN A 17 -2.716 -7.715 2.957 1.00 0.00 H ATOM 240 HB3 GLN A 17 -1.229 -8.773 4.601 1.00 0.00 H ATOM 241 HG3 GLN A 17 0.969 -8.408 3.494 1.00 0.00 H ATOM 242 HE21 GLN A 17 0.807 -10.445 2.813 1.00 0.00 H ATOM 243 HE22 GLN A 17 -0.168 -10.979 1.490 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 8 ATOM 1 N LYS A 1 10.734 -1.234 3.695 1.00 0.00 N ATOM 2 CA LYS A 1 10.056 0.023 3.981 1.00 0.00 C ATOM 3 C LYS A 1 9.145 0.426 2.827 1.00 0.00 C ATOM 4 O LYS A 1 9.614 0.720 1.726 1.00 0.00 O ATOM 5 CB LYS A 1 11.080 1.129 4.248 1.00 0.00 C ATOM 6 CG LYS A 1 10.636 2.127 5.304 1.00 0.00 C ATOM 7 CD LYS A 1 11.709 3.170 5.571 1.00 0.00 C ATOM 8 CE LYS A 1 11.140 4.383 6.293 1.00 0.00 C ATOM 9 NZ LYS A 1 11.194 4.221 7.772 1.00 0.00 N ATOM 10 H1 LYS A 1 10.534 -1.706 2.858 1.00 0.00 H ATOM 11 HA LYS A 1 9.454 -0.119 4.866 1.00 0.00 H ATOM 12 HB3 LYS A 1 11.258 1.667 3.327 1.00 0.00 H ATOM 13 HG3 LYS A 1 10.426 1.596 6.222 1.00 0.00 H ATOM 14 HD3 LYS A 1 12.130 3.489 4.628 1.00 0.00 H ATOM 15 HE3 LYS A 1 10.111 4.515 5.991 1.00 0.00 H ATOM 16 HZ1 LYS A 1 11.112 3.216 8.026 1.00 0.00 H ATOM 17 HZ2 LYS A 1 10.412 4.745 8.216 1.00 0.00 H ATOM 18 HZ3 LYS A 1 12.094 4.588 8.140 1.00 0.00 H ATOM 19 N ARG A 2 7.842 0.440 3.083 1.00 0.00 N ATOM 20 CA ARG A 2 6.866 0.808 2.066 1.00 0.00 C ATOM 21 C ARG A 2 6.782 2.324 1.914 1.00 0.00 C ATOM 22 O ARG A 2 7.586 3.060 2.483 1.00 0.00 O ATOM 23 CB ARG A 2 5.488 0.243 2.421 1.00 0.00 C ATOM 24 CG ARG A 2 5.543 -1.114 3.101 1.00 0.00 C ATOM 25 CD ARG A 2 6.285 -2.134 2.252 1.00 0.00 C ATOM 26 NE ARG A 2 5.390 -3.164 1.729 1.00 0.00 N ATOM 27 CZ ARG A 2 5.804 -4.358 1.319 1.00 0.00 C ATOM 28 NH1 ARG A 2 7.092 -4.671 1.370 1.00 0.00 N ATOM 29 NH2 ARG A 2 4.930 -5.243 0.857 1.00 0.00 N ATOM 30 H ARG A 2 7.528 0.196 3.980 1.00 0.00 H ATOM 31 HA ARG A 2 7.188 0.381 1.127 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.907 0.145 1.515 1.00 0.00 H ATOM 33 HG3 ARG A 2 4.536 -1.463 3.271 1.00 0.00 H ATOM 34 HD3 ARG A 2 7.045 -2.604 2.857 1.00 0.00 H ATOM 35 HE ARG A 2 4.434 -2.955 1.683 1.00 0.00 H ATOM 36 HH11 ARG A 2 7.753 -4.006 1.719 1.00 0.00 H ATOM 37 HH12 ARG A 2 7.402 -5.570 1.062 1.00 0.00 H ATOM 38 HH21 ARG A 2 3.957 -5.011 0.817 1.00 0.00 H ATOM 39 HH22 ARG A 2 5.243 -6.140 0.549 1.00 0.00 H ATOM 40 N GLY A 3 5.803 2.784 1.140 1.00 0.00 N ATOM 41 CA GLY A 3 5.633 4.209 0.927 1.00 0.00 C ATOM 42 C GLY A 3 5.503 4.564 -0.541 1.00 0.00 C ATOM 43 O GLY A 3 6.059 5.562 -0.997 1.00 0.00 O ATOM 44 H GLY A 3 5.191 2.149 0.711 1.00 0.00 H ATOM 45 HA2 GLY A 3 4.746 4.536 1.446 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.488 4.727 1.335 1.00 0.00 H ATOM 47 N ILE A 4 4.767 3.744 -1.284 1.00 0.00 N ATOM 48 CA ILE A 4 4.566 3.976 -2.708 1.00 0.00 C ATOM 49 C ILE A 4 3.371 4.892 -2.952 1.00 0.00 C ATOM 50 O ILE A 4 3.517 5.992 -3.484 1.00 0.00 O ATOM 51 CB ILE A 4 4.350 2.655 -3.470 1.00 0.00 C ATOM 52 CG1 ILE A 4 5.376 1.611 -3.024 1.00 0.00 C ATOM 53 CG2 ILE A 4 4.440 2.887 -4.970 1.00 0.00 C ATOM 54 CD1 ILE A 4 4.881 0.718 -1.907 1.00 0.00 C ATOM 55 H ILE A 4 4.349 2.963 -0.862 1.00 0.00 H ATOM 56 HA ILE A 4 5.455 4.451 -3.096 1.00 0.00 H ATOM 57 HB ILE A 4 3.357 2.294 -3.245 1.00 0.00 H ATOM 58 HG13 ILE A 4 6.265 2.116 -2.678 1.00 0.00 H ATOM 59 HG21 ILE A 4 4.688 3.922 -5.160 1.00 0.00 H ATOM 60 HG22 ILE A 4 5.207 2.251 -5.387 1.00 0.00 H ATOM 61 HG23 ILE A 4 3.491 2.654 -5.429 1.00 0.00 H ATOM 62 HD11 ILE A 4 3.991 1.146 -1.471 1.00 0.00 H ATOM 63 HD12 ILE A 4 4.652 -0.261 -2.303 1.00 0.00 H ATOM 64 HD13 ILE A 4 5.647 0.630 -1.150 1.00 0.00 H ATOM 65 N VAL A 5 2.189 4.430 -2.559 1.00 0.00 N ATOM 66 CA VAL A 5 0.967 5.209 -2.732 1.00 0.00 C ATOM 67 C VAL A 5 0.559 5.887 -1.428 1.00 0.00 C ATOM 68 O VAL A 5 0.190 7.061 -1.417 1.00 0.00 O ATOM 69 CB VAL A 5 -0.194 4.327 -3.225 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.390 5.187 -3.611 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.252 3.464 -4.396 1.00 0.00 C ATOM 72 H VAL A 5 2.135 3.545 -2.140 1.00 0.00 H ATOM 73 HA VAL A 5 1.158 5.968 -3.477 1.00 0.00 H ATOM 74 HB VAL A 5 -0.494 3.675 -2.418 1.00 0.00 H ATOM 75 HG11 VAL A 5 -2.289 4.756 -3.196 1.00 0.00 H ATOM 76 HG12 VAL A 5 -1.254 6.185 -3.224 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.473 5.224 -4.688 1.00 0.00 H ATOM 78 HG21 VAL A 5 -0.574 2.856 -4.731 1.00 0.00 H ATOM 79 HG22 VAL A 5 0.583 4.099 -5.204 1.00 0.00 H ATOM 80 HG23 VAL A 5 1.065 2.826 -4.083 1.00 0.00 H ATOM 81 N GLU A 6 0.627 5.138 -0.331 1.00 0.00 N ATOM 82 CA GLU A 6 0.263 5.668 0.977 1.00 0.00 C ATOM 83 C GLU A 6 -1.181 6.162 0.982 1.00 0.00 C ATOM 84 O GLU A 6 -1.560 6.995 1.805 1.00 0.00 O ATOM 85 CB GLU A 6 1.205 6.807 1.371 1.00 0.00 C ATOM 86 CG GLU A 6 2.671 6.503 1.111 1.00 0.00 C ATOM 87 CD GLU A 6 3.550 6.800 2.310 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.436 6.078 3.323 1.00 0.00 O ATOM 89 OE2 GLU A 6 4.351 7.755 2.236 1.00 0.00 O ATOM 90 H GLU A 6 0.928 4.208 -0.405 1.00 0.00 H ATOM 91 HA GLU A 6 0.360 4.869 1.696 1.00 0.00 H ATOM 92 HB3 GLU A 6 1.083 7.012 2.424 1.00 0.00 H ATOM 93 HG3 GLU A 6 3.007 7.101 0.278 1.00 0.00 H ATOM 94 N GLN A 7 -1.981 5.643 0.057 1.00 0.00 N ATOM 95 CA GLN A 7 -3.382 6.031 -0.046 1.00 0.00 C ATOM 96 C GLN A 7 -4.297 4.825 0.139 1.00 0.00 C ATOM 97 O GLN A 7 -3.970 3.715 -0.280 1.00 0.00 O ATOM 98 CB GLN A 7 -3.653 6.689 -1.401 1.00 0.00 C ATOM 99 CG GLN A 7 -4.153 8.120 -1.294 1.00 0.00 C ATOM 100 CD GLN A 7 -3.978 8.896 -2.586 1.00 0.00 C ATOM 101 OE1 GLN A 7 -3.162 9.815 -2.666 1.00 0.00 O ATOM 102 NE2 GLN A 7 -4.747 8.531 -3.604 1.00 0.00 N ATOM 103 H GLN A 7 -1.621 4.983 -0.571 1.00 0.00 H ATOM 104 HA GLN A 7 -3.586 6.746 0.737 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.397 6.109 -1.927 1.00 0.00 H ATOM 106 HG3 GLN A 7 -3.602 8.622 -0.512 1.00 0.00 H ATOM 107 HE21 GLN A 7 -5.376 7.791 -3.467 1.00 0.00 H ATOM 108 HE22 GLN A 7 -4.656 9.016 -4.450 1.00 0.00 H ATOM 109 N CYS A 8 -5.444 5.051 0.772 1.00 0.00 N ATOM 110 CA CYS A 8 -6.406 3.983 1.014 1.00 0.00 C ATOM 111 C CYS A 8 -7.607 4.110 0.083 1.00 0.00 C ATOM 112 O CYS A 8 -8.754 3.979 0.511 1.00 0.00 O ATOM 113 CB CYS A 8 -6.872 4.007 2.470 1.00 0.00 C ATOM 114 SG CYS A 8 -7.692 2.489 3.010 1.00 0.00 S ATOM 115 H CYS A 8 -5.649 5.958 1.082 1.00 0.00 H ATOM 116 HA CYS A 8 -5.913 3.043 0.818 1.00 0.00 H ATOM 117 HB3 CYS A 8 -7.565 4.824 2.605 1.00 0.00 H ATOM 118 HG CYS A 8 -8.971 2.766 3.211 1.00 0.00 H ATOM 119 N CYS A 9 -7.335 4.370 -1.191 1.00 0.00 N ATOM 120 CA CYS A 9 -8.395 4.519 -2.184 1.00 0.00 C ATOM 121 C CYS A 9 -8.246 3.486 -3.297 1.00 0.00 C ATOM 122 O CYS A 9 -9.236 3.031 -3.873 1.00 0.00 O ATOM 123 CB CYS A 9 -8.374 5.929 -2.775 1.00 0.00 C ATOM 124 SG CYS A 9 -9.450 7.105 -1.920 1.00 0.00 S ATOM 125 H CYS A 9 -6.402 4.465 -1.473 1.00 0.00 H ATOM 126 HA CYS A 9 -9.340 4.360 -1.686 1.00 0.00 H ATOM 127 HB3 CYS A 9 -8.689 5.884 -3.807 1.00 0.00 H ATOM 128 HG CYS A 9 -10.408 7.467 -2.759 1.00 0.00 H ATOM 129 N THR A 10 -7.004 3.120 -3.596 1.00 0.00 N ATOM 130 CA THR A 10 -6.726 2.143 -4.641 1.00 0.00 C ATOM 131 C THR A 10 -6.433 0.771 -4.046 1.00 0.00 C ATOM 132 O THR A 10 -6.617 0.551 -2.849 1.00 0.00 O ATOM 133 CB THR A 10 -5.532 2.578 -5.511 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.309 2.422 -4.781 1.00 0.00 O ATOM 135 CG2 THR A 10 -5.683 4.025 -5.954 1.00 0.00 C ATOM 136 H THR A 10 -6.257 3.518 -3.101 1.00 0.00 H ATOM 137 HA THR A 10 -7.599 2.072 -5.273 1.00 0.00 H ATOM 138 HB THR A 10 -5.499 1.950 -6.391 1.00 0.00 H ATOM 139 HG1 THR A 10 -4.404 2.817 -3.910 1.00 0.00 H ATOM 140 HG21 THR A 10 -5.641 4.672 -5.091 1.00 0.00 H ATOM 141 HG22 THR A 10 -6.632 4.152 -6.452 1.00 0.00 H ATOM 142 HG23 THR A 10 -4.882 4.279 -6.634 1.00 0.00 H ATOM 143 N SER A 11 -5.977 -0.150 -4.890 1.00 0.00 N ATOM 144 CA SER A 11 -5.662 -1.503 -4.448 1.00 0.00 C ATOM 145 C SER A 11 -4.366 -1.524 -3.644 1.00 0.00 C ATOM 146 O SER A 11 -3.328 -1.973 -4.132 1.00 0.00 O ATOM 147 CB SER A 11 -5.545 -2.441 -5.651 1.00 0.00 C ATOM 148 OG SER A 11 -6.552 -2.169 -6.611 1.00 0.00 O ATOM 149 H SER A 11 -5.852 0.087 -5.834 1.00 0.00 H ATOM 150 HA SER A 11 -6.470 -1.842 -3.816 1.00 0.00 H ATOM 151 HB3 SER A 11 -5.648 -3.463 -5.318 1.00 0.00 H ATOM 152 HG SER A 11 -7.088 -2.954 -6.744 1.00 0.00 H ATOM 153 N ILE A 12 -4.434 -1.035 -2.410 1.00 0.00 N ATOM 154 CA ILE A 12 -3.267 -0.999 -1.538 1.00 0.00 C ATOM 155 C ILE A 12 -3.132 -2.295 -0.746 1.00 0.00 C ATOM 156 O ILE A 12 -2.024 -2.721 -0.415 1.00 0.00 O ATOM 157 CB ILE A 12 -3.334 0.185 -0.556 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.997 0.352 0.168 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.463 -0.020 0.444 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.221 1.574 -0.270 1.00 0.00 C ATOM 161 H ILE A 12 -5.290 -0.692 -2.079 1.00 0.00 H ATOM 162 HA ILE A 12 -2.391 -0.877 -2.159 1.00 0.00 H ATOM 163 HB ILE A 12 -3.545 1.080 -1.121 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.383 -0.516 -0.021 1.00 0.00 H ATOM 165 HG21 ILE A 12 -5.404 -0.079 -0.083 1.00 0.00 H ATOM 166 HG22 ILE A 12 -4.299 -0.937 0.989 1.00 0.00 H ATOM 167 HG23 ILE A 12 -4.489 0.810 1.134 1.00 0.00 H ATOM 168 HD11 ILE A 12 -0.220 1.282 -0.552 1.00 0.00 H ATOM 169 HD12 ILE A 12 -1.713 2.029 -1.117 1.00 0.00 H ATOM 170 HD13 ILE A 12 -1.173 2.282 0.542 1.00 0.00 H ATOM 171 N CYS A 13 -4.266 -2.919 -0.445 1.00 0.00 N ATOM 172 CA CYS A 13 -4.275 -4.167 0.309 1.00 0.00 C ATOM 173 C CYS A 13 -3.340 -5.192 -0.326 1.00 0.00 C ATOM 174 O CYS A 13 -2.787 -6.052 0.361 1.00 0.00 O ATOM 175 CB CYS A 13 -5.694 -4.732 0.384 1.00 0.00 C ATOM 176 SG CYS A 13 -6.129 -5.423 1.998 1.00 0.00 S ATOM 177 H CYS A 13 -5.117 -2.530 -0.736 1.00 0.00 H ATOM 178 HA CYS A 13 -3.929 -3.953 1.308 1.00 0.00 H ATOM 179 HB3 CYS A 13 -5.802 -5.515 -0.351 1.00 0.00 H ATOM 180 HG CYS A 13 -6.722 -4.472 2.703 1.00 0.00 H ATOM 181 N SER A 14 -3.170 -5.095 -1.641 1.00 0.00 N ATOM 182 CA SER A 14 -2.306 -6.017 -2.370 1.00 0.00 C ATOM 183 C SER A 14 -0.893 -6.005 -1.797 1.00 0.00 C ATOM 184 O SER A 14 -0.146 -6.975 -1.934 1.00 0.00 O ATOM 185 CB SER A 14 -2.272 -5.650 -3.855 1.00 0.00 C ATOM 186 OG SER A 14 -1.038 -6.026 -4.443 1.00 0.00 O ATOM 187 H SER A 14 -3.638 -4.388 -2.133 1.00 0.00 H ATOM 188 HA SER A 14 -2.717 -7.011 -2.262 1.00 0.00 H ATOM 189 HB3 SER A 14 -2.398 -4.582 -3.961 1.00 0.00 H ATOM 190 HG SER A 14 -1.170 -6.798 -4.997 1.00 0.00 H ATOM 191 N LEU A 15 -0.530 -4.900 -1.155 1.00 0.00 N ATOM 192 CA LEU A 15 0.794 -4.760 -0.560 1.00 0.00 C ATOM 193 C LEU A 15 0.696 -4.572 0.950 1.00 0.00 C ATOM 194 O LEU A 15 1.607 -4.942 1.692 1.00 0.00 O ATOM 195 CB LEU A 15 1.531 -3.574 -1.185 1.00 0.00 C ATOM 196 CG LEU A 15 1.212 -2.200 -0.597 1.00 0.00 C ATOM 197 CD1 LEU A 15 2.169 -1.868 0.539 1.00 0.00 C ATOM 198 CD2 LEU A 15 1.275 -1.129 -1.678 1.00 0.00 C ATOM 199 H LEU A 15 -1.169 -4.160 -1.078 1.00 0.00 H ATOM 200 HA LEU A 15 1.346 -5.665 -0.764 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.287 -3.551 -2.237 1.00 0.00 H ATOM 202 HG LEU A 15 0.208 -2.212 -0.195 1.00 0.00 H ATOM 203 HD11 LEU A 15 3.107 -2.377 0.378 1.00 0.00 H ATOM 204 HD12 LEU A 15 1.740 -2.193 1.476 1.00 0.00 H ATOM 205 HD13 LEU A 15 2.335 -0.803 0.570 1.00 0.00 H ATOM 206 HD21 LEU A 15 2.297 -1.014 -2.010 1.00 0.00 H ATOM 207 HD22 LEU A 15 0.919 -0.193 -1.277 1.00 0.00 H ATOM 208 HD23 LEU A 15 0.655 -1.424 -2.512 1.00 0.00 H ATOM 209 N TYR A 16 -0.415 -4.001 1.400 1.00 0.00 N ATOM 210 CA TYR A 16 -0.633 -3.766 2.822 1.00 0.00 C ATOM 211 C TYR A 16 -0.518 -5.066 3.612 1.00 0.00 C ATOM 212 O TYR A 16 0.088 -5.101 4.683 1.00 0.00 O ATOM 213 CB TYR A 16 -2.008 -3.136 3.051 1.00 0.00 C ATOM 214 CG TYR A 16 -1.970 -1.904 3.930 1.00 0.00 C ATOM 215 CD1 TYR A 16 -1.178 -1.866 5.070 1.00 0.00 C ATOM 216 CD2 TYR A 16 -2.727 -0.781 3.619 1.00 0.00 C ATOM 217 CE1 TYR A 16 -1.141 -0.744 5.877 1.00 0.00 C ATOM 218 CE2 TYR A 16 -2.694 0.345 4.418 1.00 0.00 C ATOM 219 CZ TYR A 16 -1.901 0.359 5.545 1.00 0.00 C ATOM 220 OH TYR A 16 -1.867 1.478 6.346 1.00 0.00 O ATOM 221 H TYR A 16 -1.107 -3.729 0.759 1.00 0.00 H ATOM 222 HA TYR A 16 0.129 -3.081 3.165 1.00 0.00 H ATOM 223 HB3 TYR A 16 -2.654 -3.860 3.522 1.00 0.00 H ATOM 224 HD1 TYR A 16 -0.585 -2.731 5.328 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.348 -0.795 2.735 1.00 0.00 H ATOM 226 HE1 TYR A 16 -0.520 -0.732 6.761 1.00 0.00 H ATOM 227 HE2 TYR A 16 -3.289 1.208 4.160 1.00 0.00 H ATOM 228 HH TYR A 16 -1.592 1.230 7.232 1.00 0.00 H ATOM 229 N GLN A 17 -1.108 -6.129 3.078 1.00 0.00 N ATOM 230 CA GLN A 17 -1.073 -7.431 3.734 1.00 0.00 C ATOM 231 C GLN A 17 -1.591 -7.335 5.164 1.00 0.00 C ATOM 232 O GLN A 17 -2.505 -8.064 5.555 1.00 0.00 O ATOM 233 CB GLN A 17 0.352 -7.989 3.732 1.00 0.00 C ATOM 234 CG GLN A 17 0.795 -8.522 2.379 1.00 0.00 C ATOM 235 CD GLN A 17 1.043 -10.018 2.394 1.00 0.00 C ATOM 236 OE1 GLN A 17 0.414 -10.770 1.647 1.00 0.00 O ATOM 237 NE2 GLN A 17 1.962 -10.457 3.245 1.00 0.00 N ATOM 238 H GLN A 17 -1.577 -6.038 2.223 1.00 0.00 H ATOM 239 HA GLN A 17 -1.712 -8.100 3.176 1.00 0.00 H ATOM 240 HB3 GLN A 17 0.411 -8.794 4.448 1.00 0.00 H ATOM 241 HG3 GLN A 17 1.709 -8.023 2.092 1.00 0.00 H ATOM 242 HE21 GLN A 17 2.421 -9.800 3.809 1.00 0.00 H ATOM 243 HE22 GLN A 17 2.141 -11.419 3.276 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 9 ATOM 1 N LYS A 1 10.712 -0.111 4.557 1.00 0.00 N ATOM 2 CA LYS A 1 9.777 0.989 4.754 1.00 0.00 C ATOM 3 C LYS A 1 8.992 1.272 3.477 1.00 0.00 C ATOM 4 O LYS A 1 9.562 1.678 2.464 1.00 0.00 O ATOM 5 CB LYS A 1 10.524 2.249 5.195 1.00 0.00 C ATOM 6 CG LYS A 1 9.633 3.287 5.854 1.00 0.00 C ATOM 7 CD LYS A 1 10.448 4.331 6.599 1.00 0.00 C ATOM 8 CE LYS A 1 9.725 4.816 7.846 1.00 0.00 C ATOM 9 NZ LYS A 1 8.575 5.702 7.511 1.00 0.00 N ATOM 10 H1 LYS A 1 11.238 -0.149 3.730 1.00 0.00 H ATOM 11 HA LYS A 1 9.084 0.701 5.531 1.00 0.00 H ATOM 12 HB3 LYS A 1 10.988 2.700 4.329 1.00 0.00 H ATOM 13 HG3 LYS A 1 8.974 2.791 6.552 1.00 0.00 H ATOM 14 HD3 LYS A 1 10.625 5.172 5.945 1.00 0.00 H ATOM 15 HE3 LYS A 1 10.424 5.365 8.461 1.00 0.00 H ATOM 16 HZ1 LYS A 1 8.890 6.476 6.891 1.00 0.00 H ATOM 17 HZ2 LYS A 1 8.174 6.110 8.379 1.00 0.00 H ATOM 18 HZ3 LYS A 1 7.837 5.158 7.021 1.00 0.00 H ATOM 19 N ARG A 2 7.681 1.058 3.533 1.00 0.00 N ATOM 20 CA ARG A 2 6.818 1.292 2.381 1.00 0.00 C ATOM 21 C ARG A 2 6.740 2.780 2.052 1.00 0.00 C ATOM 22 O ARG A 2 7.470 3.591 2.621 1.00 0.00 O ATOM 23 CB ARG A 2 5.415 0.743 2.647 1.00 0.00 C ATOM 24 CG ARG A 2 5.413 -0.626 3.307 1.00 0.00 C ATOM 25 CD ARG A 2 6.220 -1.634 2.503 1.00 0.00 C ATOM 26 NE ARG A 2 5.627 -1.889 1.194 1.00 0.00 N ATOM 27 CZ ARG A 2 5.909 -2.958 0.455 1.00 0.00 C ATOM 28 NH1 ARG A 2 6.768 -3.866 0.896 1.00 0.00 N ATOM 29 NH2 ARG A 2 5.327 -3.120 -0.728 1.00 0.00 N ATOM 30 H ARG A 2 7.285 0.736 4.369 1.00 0.00 H ATOM 31 HA ARG A 2 7.246 0.770 1.536 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.888 0.668 1.708 1.00 0.00 H ATOM 33 HG3 ARG A 2 4.395 -0.975 3.387 1.00 0.00 H ATOM 34 HD3 ARG A 2 6.266 -2.561 3.054 1.00 0.00 H ATOM 35 HE ARG A 2 4.989 -1.232 0.848 1.00 0.00 H ATOM 36 HH11 ARG A 2 7.207 -3.745 1.786 1.00 0.00 H ATOM 37 HH12 ARG A 2 6.977 -4.669 0.339 1.00 0.00 H ATOM 38 HH21 ARG A 2 4.678 -2.438 -1.063 1.00 0.00 H ATOM 39 HH22 ARG A 2 5.540 -3.924 -1.282 1.00 0.00 H ATOM 40 N GLY A 3 5.851 3.131 1.129 1.00 0.00 N ATOM 41 CA GLY A 3 5.694 4.519 0.740 1.00 0.00 C ATOM 42 C GLY A 3 5.539 4.688 -0.759 1.00 0.00 C ATOM 43 O GLY A 3 6.107 5.608 -1.347 1.00 0.00 O ATOM 44 H GLY A 3 5.297 2.439 0.709 1.00 0.00 H ATOM 45 HA2 GLY A 3 4.821 4.922 1.229 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.564 5.073 1.065 1.00 0.00 H ATOM 47 N ILE A 4 4.772 3.797 -1.376 1.00 0.00 N ATOM 48 CA ILE A 4 4.546 3.852 -2.816 1.00 0.00 C ATOM 49 C ILE A 4 3.354 4.741 -3.151 1.00 0.00 C ATOM 50 O ILE A 4 3.496 5.764 -3.821 1.00 0.00 O ATOM 51 CB ILE A 4 4.306 2.448 -3.402 1.00 0.00 C ATOM 52 CG1 ILE A 4 5.327 1.456 -2.839 1.00 0.00 C ATOM 53 CG2 ILE A 4 4.381 2.488 -4.920 1.00 0.00 C ATOM 54 CD1 ILE A 4 4.840 0.719 -1.611 1.00 0.00 C ATOM 55 H ILE A 4 4.347 3.088 -0.853 1.00 0.00 H ATOM 56 HA ILE A 4 5.432 4.267 -3.276 1.00 0.00 H ATOM 57 HB ILE A 4 3.314 2.130 -3.123 1.00 0.00 H ATOM 58 HG13 ILE A 4 6.227 1.991 -2.571 1.00 0.00 H ATOM 59 HG21 ILE A 4 5.132 1.791 -5.264 1.00 0.00 H ATOM 60 HG22 ILE A 4 3.423 2.216 -5.335 1.00 0.00 H ATOM 61 HG23 ILE A 4 4.642 3.486 -5.242 1.00 0.00 H ATOM 62 HD11 ILE A 4 3.961 1.212 -1.222 1.00 0.00 H ATOM 63 HD12 ILE A 4 4.593 -0.298 -1.876 1.00 0.00 H ATOM 64 HD13 ILE A 4 5.615 0.720 -0.859 1.00 0.00 H ATOM 65 N VAL A 5 2.175 4.344 -2.680 1.00 0.00 N ATOM 66 CA VAL A 5 0.957 5.106 -2.928 1.00 0.00 C ATOM 67 C VAL A 5 0.524 5.870 -1.681 1.00 0.00 C ATOM 68 O VAL A 5 0.073 7.012 -1.766 1.00 0.00 O ATOM 69 CB VAL A 5 -0.195 4.190 -3.380 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.372 5.018 -3.876 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.282 3.229 -4.459 1.00 0.00 C ATOM 72 H VAL A 5 2.124 3.519 -2.153 1.00 0.00 H ATOM 73 HA VAL A 5 1.160 5.813 -3.719 1.00 0.00 H ATOM 74 HB VAL A 5 -0.524 3.611 -2.531 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.340 5.080 -4.955 1.00 0.00 H ATOM 76 HG12 VAL A 5 -2.297 4.549 -3.570 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.315 6.011 -3.457 1.00 0.00 H ATOM 78 HG21 VAL A 5 0.625 3.789 -5.315 1.00 0.00 H ATOM 79 HG22 VAL A 5 1.093 2.630 -4.073 1.00 0.00 H ATOM 80 HG23 VAL A 5 -0.533 2.584 -4.754 1.00 0.00 H ATOM 81 N GLU A 6 0.664 5.230 -0.523 1.00 0.00 N ATOM 82 CA GLU A 6 0.287 5.851 0.741 1.00 0.00 C ATOM 83 C GLU A 6 -1.180 6.271 0.725 1.00 0.00 C ATOM 84 O GLU A 6 -1.587 7.168 1.462 1.00 0.00 O ATOM 85 CB GLU A 6 1.172 7.066 1.024 1.00 0.00 C ATOM 86 CG GLU A 6 2.660 6.760 0.972 1.00 0.00 C ATOM 87 CD GLU A 6 3.433 7.761 0.135 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.605 8.909 0.594 1.00 0.00 O ATOM 89 OE2 GLU A 6 3.866 7.396 -0.978 1.00 0.00 O ATOM 90 H GLU A 6 1.029 4.322 -0.520 1.00 0.00 H ATOM 91 HA GLU A 6 0.431 5.122 1.524 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.938 7.446 2.007 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.797 5.776 0.548 1.00 0.00 H ATOM 94 N GLN A 7 -1.969 5.614 -0.122 1.00 0.00 N ATOM 95 CA GLN A 7 -3.389 5.919 -0.236 1.00 0.00 C ATOM 96 C GLN A 7 -4.237 4.697 0.099 1.00 0.00 C ATOM 97 O GLN A 7 -3.971 3.595 -0.382 1.00 0.00 O ATOM 98 CB GLN A 7 -3.716 6.411 -1.646 1.00 0.00 C ATOM 99 CG GLN A 7 -2.953 7.665 -2.046 1.00 0.00 C ATOM 100 CD GLN A 7 -3.783 8.924 -1.902 1.00 0.00 C ATOM 101 OE1 GLN A 7 -4.330 9.204 -0.834 1.00 0.00 O ATOM 102 NE2 GLN A 7 -3.885 9.693 -2.980 1.00 0.00 N ATOM 103 H GLN A 7 -1.586 4.910 -0.683 1.00 0.00 H ATOM 104 HA GLN A 7 -3.618 6.704 0.471 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.773 6.626 -1.705 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.645 7.569 -3.076 1.00 0.00 H ATOM 107 HE21 GLN A 7 -3.424 9.407 -3.797 1.00 0.00 H ATOM 108 HE22 GLN A 7 -4.415 10.513 -2.916 1.00 0.00 H ATOM 109 N CYS A 8 -5.259 4.900 0.924 1.00 0.00 N ATOM 110 CA CYS A 8 -6.146 3.813 1.324 1.00 0.00 C ATOM 111 C CYS A 8 -7.395 3.781 0.449 1.00 0.00 C ATOM 112 O CYS A 8 -8.466 3.370 0.894 1.00 0.00 O ATOM 113 CB CYS A 8 -6.541 3.964 2.792 1.00 0.00 C ATOM 114 SG CYS A 8 -5.151 4.292 3.901 1.00 0.00 S ATOM 115 H CYS A 8 -5.421 5.801 1.274 1.00 0.00 H ATOM 116 HA CYS A 8 -5.609 2.885 1.197 1.00 0.00 H ATOM 117 HB3 CYS A 8 -7.020 3.054 3.124 1.00 0.00 H ATOM 118 HG CYS A 8 -4.153 3.495 3.552 1.00 0.00 H ATOM 119 N CYS A 9 -7.249 4.220 -0.797 1.00 0.00 N ATOM 120 CA CYS A 9 -8.367 4.244 -1.734 1.00 0.00 C ATOM 121 C CYS A 9 -8.085 3.353 -2.939 1.00 0.00 C ATOM 122 O CYS A 9 -9.007 2.836 -3.574 1.00 0.00 O ATOM 123 CB CYS A 9 -8.641 5.676 -2.196 1.00 0.00 C ATOM 124 SG CYS A 9 -9.803 6.580 -1.147 1.00 0.00 S ATOM 125 H CYS A 9 -6.370 4.535 -1.094 1.00 0.00 H ATOM 126 HA CYS A 9 -9.238 3.867 -1.219 1.00 0.00 H ATOM 127 HB3 CYS A 9 -9.048 5.651 -3.196 1.00 0.00 H ATOM 128 HG CYS A 9 -9.334 7.806 -0.980 1.00 0.00 H ATOM 129 N THR A 10 -6.806 3.177 -3.252 1.00 0.00 N ATOM 130 CA THR A 10 -6.402 2.351 -4.384 1.00 0.00 C ATOM 131 C THR A 10 -6.212 0.897 -3.964 1.00 0.00 C ATOM 132 O THR A 10 -6.556 0.514 -2.844 1.00 0.00 O ATOM 133 CB THR A 10 -5.095 2.864 -5.016 1.00 0.00 C ATOM 134 OG1 THR A 10 -3.985 2.563 -4.162 1.00 0.00 O ATOM 135 CG2 THR A 10 -5.164 4.364 -5.258 1.00 0.00 C ATOM 136 H THR A 10 -6.117 3.614 -2.709 1.00 0.00 H ATOM 137 HA THR A 10 -7.182 2.401 -5.128 1.00 0.00 H ATOM 138 HB THR A 10 -4.953 2.368 -5.965 1.00 0.00 H ATOM 139 HG1 THR A 10 -3.651 1.687 -4.369 1.00 0.00 H ATOM 140 HG21 THR A 10 -4.248 4.695 -5.723 1.00 0.00 H ATOM 141 HG22 THR A 10 -5.292 4.875 -4.315 1.00 0.00 H ATOM 142 HG23 THR A 10 -5.998 4.587 -5.905 1.00 0.00 H ATOM 143 N SER A 11 -5.663 0.092 -4.866 1.00 0.00 N ATOM 144 CA SER A 11 -5.431 -1.321 -4.590 1.00 0.00 C ATOM 145 C SER A 11 -4.195 -1.507 -3.712 1.00 0.00 C ATOM 146 O SER A 11 -3.247 -2.193 -4.095 1.00 0.00 O ATOM 147 CB SER A 11 -5.263 -2.099 -5.896 1.00 0.00 C ATOM 148 OG SER A 11 -5.743 -3.425 -5.766 1.00 0.00 O ATOM 149 H SER A 11 -5.411 0.456 -5.740 1.00 0.00 H ATOM 150 HA SER A 11 -6.293 -1.701 -4.062 1.00 0.00 H ATOM 151 HB3 SER A 11 -4.217 -2.131 -6.161 1.00 0.00 H ATOM 152 HG SER A 11 -5.039 -3.989 -5.438 1.00 0.00 H ATOM 153 N ILE A 12 -4.216 -0.891 -2.535 1.00 0.00 N ATOM 154 CA ILE A 12 -3.098 -0.990 -1.604 1.00 0.00 C ATOM 155 C ILE A 12 -3.124 -2.317 -0.852 1.00 0.00 C ATOM 156 O ILE A 12 -2.084 -2.827 -0.436 1.00 0.00 O ATOM 157 CB ILE A 12 -3.113 0.165 -0.584 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.763 0.260 0.130 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.237 -0.030 0.420 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.072 1.593 -0.058 1.00 0.00 C ATOM 161 H ILE A 12 -5.000 -0.360 -2.287 1.00 0.00 H ATOM 162 HA ILE A 12 -2.183 -0.929 -2.174 1.00 0.00 H ATOM 163 HB ILE A 12 -3.295 1.085 -1.118 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.109 -0.510 -0.250 1.00 0.00 H ATOM 165 HG21 ILE A 12 -4.277 0.821 1.087 1.00 0.00 H ATOM 166 HG22 ILE A 12 -5.178 -0.118 -0.103 1.00 0.00 H ATOM 167 HG23 ILE A 12 -4.058 -0.927 0.994 1.00 0.00 H ATOM 168 HD11 ILE A 12 -1.687 2.378 0.357 1.00 0.00 H ATOM 169 HD12 ILE A 12 -0.117 1.579 0.446 1.00 0.00 H ATOM 170 HD13 ILE A 12 -0.921 1.775 -1.113 1.00 0.00 H ATOM 171 N CYS A 13 -4.320 -2.871 -0.683 1.00 0.00 N ATOM 172 CA CYS A 13 -4.482 -4.140 0.017 1.00 0.00 C ATOM 173 C CYS A 13 -3.557 -5.203 -0.564 1.00 0.00 C ATOM 174 O CYS A 13 -3.128 -6.118 0.138 1.00 0.00 O ATOM 175 CB CYS A 13 -5.936 -4.609 -0.065 1.00 0.00 C ATOM 176 SG CYS A 13 -6.962 -4.080 1.325 1.00 0.00 S ATOM 177 H CYS A 13 -5.113 -2.416 -1.038 1.00 0.00 H ATOM 178 HA CYS A 13 -4.222 -3.982 1.053 1.00 0.00 H ATOM 179 HB3 CYS A 13 -5.955 -5.689 -0.097 1.00 0.00 H ATOM 180 HG CYS A 13 -7.219 -5.143 2.073 1.00 0.00 H ATOM 181 N SER A 14 -3.257 -5.079 -1.853 1.00 0.00 N ATOM 182 CA SER A 14 -2.387 -6.033 -2.530 1.00 0.00 C ATOM 183 C SER A 14 -1.035 -6.132 -1.829 1.00 0.00 C ATOM 184 O SER A 14 -0.341 -7.144 -1.930 1.00 0.00 O ATOM 185 CB SER A 14 -2.186 -5.625 -3.991 1.00 0.00 C ATOM 186 OG SER A 14 -3.008 -6.391 -4.853 1.00 0.00 O ATOM 187 H SER A 14 -3.630 -4.327 -2.360 1.00 0.00 H ATOM 188 HA SER A 14 -2.866 -7.000 -2.499 1.00 0.00 H ATOM 189 HB3 SER A 14 -1.154 -5.779 -4.268 1.00 0.00 H ATOM 190 HG SER A 14 -2.726 -6.265 -5.762 1.00 0.00 H ATOM 191 N LEU A 15 -0.668 -5.072 -1.117 1.00 0.00 N ATOM 192 CA LEU A 15 0.601 -5.036 -0.397 1.00 0.00 C ATOM 193 C LEU A 15 0.370 -4.896 1.105 1.00 0.00 C ATOM 194 O LEU A 15 1.192 -5.336 1.912 1.00 0.00 O ATOM 195 CB LEU A 15 1.463 -3.878 -0.902 1.00 0.00 C ATOM 196 CG LEU A 15 1.168 -2.507 -0.294 1.00 0.00 C ATOM 197 CD1 LEU A 15 2.069 -2.248 0.904 1.00 0.00 C ATOM 198 CD2 LEU A 15 1.339 -1.413 -1.339 1.00 0.00 C ATOM 199 H LEU A 15 -1.262 -4.294 -1.074 1.00 0.00 H ATOM 200 HA LEU A 15 1.114 -5.967 -0.585 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.325 -3.805 -1.970 1.00 0.00 H ATOM 202 HG LEU A 15 0.144 -2.485 0.050 1.00 0.00 H ATOM 203 HD11 LEU A 15 2.835 -1.538 0.632 1.00 0.00 H ATOM 204 HD12 LEU A 15 2.529 -3.175 1.215 1.00 0.00 H ATOM 205 HD13 LEU A 15 1.480 -1.849 1.716 1.00 0.00 H ATOM 206 HD21 LEU A 15 0.796 -1.681 -2.233 1.00 0.00 H ATOM 207 HD22 LEU A 15 2.388 -1.301 -1.573 1.00 0.00 H ATOM 208 HD23 LEU A 15 0.956 -0.481 -0.950 1.00 0.00 H ATOM 209 N TYR A 16 -0.751 -4.287 1.472 1.00 0.00 N ATOM 210 CA TYR A 16 -1.090 -4.090 2.877 1.00 0.00 C ATOM 211 C TYR A 16 -0.999 -5.404 3.648 1.00 0.00 C ATOM 212 O TYR A 16 -0.430 -5.457 4.737 1.00 0.00 O ATOM 213 CB TYR A 16 -2.497 -3.507 3.007 1.00 0.00 C ATOM 214 CG TYR A 16 -2.619 -2.458 4.090 1.00 0.00 C ATOM 215 CD1 TYR A 16 -1.959 -2.606 5.304 1.00 0.00 C ATOM 216 CD2 TYR A 16 -3.395 -1.321 3.900 1.00 0.00 C ATOM 217 CE1 TYR A 16 -2.068 -1.651 6.296 1.00 0.00 C ATOM 218 CE2 TYR A 16 -3.509 -0.362 4.887 1.00 0.00 C ATOM 219 CZ TYR A 16 -2.843 -0.530 6.084 1.00 0.00 C ATOM 220 OH TYR A 16 -2.956 0.424 7.069 1.00 0.00 O ATOM 221 H TYR A 16 -1.365 -3.959 0.783 1.00 0.00 H ATOM 222 HA TYR A 16 -0.379 -3.392 3.294 1.00 0.00 H ATOM 223 HB3 TYR A 16 -3.190 -4.303 3.236 1.00 0.00 H ATOM 224 HD1 TYR A 16 -1.352 -3.483 5.469 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.915 -1.193 2.962 1.00 0.00 H ATOM 226 HE1 TYR A 16 -1.547 -1.783 7.233 1.00 0.00 H ATOM 227 HE2 TYR A 16 -4.117 0.516 4.720 1.00 0.00 H ATOM 228 HH TYR A 16 -2.088 0.790 7.259 1.00 0.00 H ATOM 229 N GLN A 17 -1.565 -6.460 3.073 1.00 0.00 N ATOM 230 CA GLN A 17 -1.548 -7.774 3.706 1.00 0.00 C ATOM 231 C GLN A 17 -2.181 -7.719 5.092 1.00 0.00 C ATOM 232 O GLN A 17 -3.394 -7.880 5.239 1.00 0.00 O ATOM 233 CB GLN A 17 -0.113 -8.296 3.807 1.00 0.00 C ATOM 234 CG GLN A 17 0.503 -8.648 2.464 1.00 0.00 C ATOM 235 CD GLN A 17 1.326 -9.920 2.515 1.00 0.00 C ATOM 236 OE1 GLN A 17 2.505 -9.925 2.158 1.00 0.00 O ATOM 237 NE2 GLN A 17 0.709 -11.008 2.961 1.00 0.00 N ATOM 238 H GLN A 17 -2.003 -6.354 2.204 1.00 0.00 H ATOM 239 HA GLN A 17 -2.123 -8.447 3.087 1.00 0.00 H ATOM 240 HB3 GLN A 17 -0.110 -9.183 4.424 1.00 0.00 H ATOM 241 HG3 GLN A 17 1.142 -7.835 2.153 1.00 0.00 H ATOM 242 HE21 GLN A 17 -0.232 -10.929 3.227 1.00 0.00 H ATOM 243 HE22 GLN A 17 1.216 -11.843 3.004 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 10 ATOM 1 N LYS A 1 10.413 -1.789 3.088 1.00 0.00 N ATOM 2 CA LYS A 1 9.894 -0.471 3.433 1.00 0.00 C ATOM 3 C LYS A 1 8.984 0.060 2.331 1.00 0.00 C ATOM 4 O LYS A 1 9.455 0.495 1.280 1.00 0.00 O ATOM 5 CB LYS A 1 11.047 0.508 3.674 1.00 0.00 C ATOM 6 CG LYS A 1 10.703 1.624 4.645 1.00 0.00 C ATOM 7 CD LYS A 1 11.853 1.908 5.596 1.00 0.00 C ATOM 8 CE LYS A 1 11.390 2.704 6.809 1.00 0.00 C ATOM 9 NZ LYS A 1 11.006 1.815 7.941 1.00 0.00 N ATOM 10 H1 LYS A 1 10.946 -1.894 2.273 1.00 0.00 H ATOM 11 HA LYS A 1 9.320 -0.569 4.343 1.00 0.00 H ATOM 12 HB3 LYS A 1 11.327 0.952 2.731 1.00 0.00 H ATOM 13 HG3 LYS A 1 9.835 1.335 5.219 1.00 0.00 H ATOM 14 HD3 LYS A 1 12.611 2.474 5.073 1.00 0.00 H ATOM 15 HE3 LYS A 1 10.536 3.301 6.525 1.00 0.00 H ATOM 16 HZ1 LYS A 1 11.557 2.059 8.788 1.00 0.00 H ATOM 17 HZ2 LYS A 1 11.190 0.822 7.693 1.00 0.00 H ATOM 18 HZ3 LYS A 1 9.995 1.927 8.155 1.00 0.00 H ATOM 19 N ARG A 2 7.679 0.024 2.578 1.00 0.00 N ATOM 20 CA ARG A 2 6.703 0.501 1.606 1.00 0.00 C ATOM 21 C ARG A 2 6.630 2.027 1.614 1.00 0.00 C ATOM 22 O ARG A 2 7.440 2.694 2.258 1.00 0.00 O ATOM 23 CB ARG A 2 5.324 -0.087 1.904 1.00 0.00 C ATOM 24 CG ARG A 2 5.370 -1.518 2.415 1.00 0.00 C ATOM 25 CD ARG A 2 6.096 -2.434 1.443 1.00 0.00 C ATOM 26 NE ARG A 2 5.190 -3.387 0.807 1.00 0.00 N ATOM 27 CZ ARG A 2 5.591 -4.525 0.255 1.00 0.00 C ATOM 28 NH1 ARG A 2 6.876 -4.853 0.261 1.00 0.00 N ATOM 29 NH2 ARG A 2 4.707 -5.341 -0.305 1.00 0.00 N ATOM 30 H ARG A 2 7.364 -0.335 3.435 1.00 0.00 H ATOM 31 HA ARG A 2 7.021 0.173 0.628 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.736 -0.070 0.999 1.00 0.00 H ATOM 33 HG3 ARG A 2 4.360 -1.876 2.547 1.00 0.00 H ATOM 34 HD3 ARG A 2 6.856 -2.979 1.983 1.00 0.00 H ATOM 35 HE ARG A 2 4.236 -3.164 0.792 1.00 0.00 H ATOM 36 HH11 ARG A 2 7.545 -4.241 0.683 1.00 0.00 H ATOM 37 HH12 ARG A 2 7.176 -5.712 -0.155 1.00 0.00 H ATOM 38 HH21 ARG A 2 3.737 -5.098 -0.311 1.00 0.00 H ATOM 39 HH22 ARG A 2 5.009 -6.198 -0.720 1.00 0.00 H ATOM 40 N GLY A 3 5.655 2.570 0.894 1.00 0.00 N ATOM 41 CA GLY A 3 5.494 4.012 0.830 1.00 0.00 C ATOM 42 C GLY A 3 5.400 4.523 -0.593 1.00 0.00 C ATOM 43 O GLY A 3 5.974 5.560 -0.928 1.00 0.00 O ATOM 44 H GLY A 3 5.040 1.989 0.400 1.00 0.00 H ATOM 45 HA2 GLY A 3 4.595 4.286 1.360 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.341 4.478 1.313 1.00 0.00 H ATOM 47 N ILE A 4 4.675 3.795 -1.435 1.00 0.00 N ATOM 48 CA ILE A 4 4.508 4.180 -2.831 1.00 0.00 C ATOM 49 C ILE A 4 3.315 5.113 -3.003 1.00 0.00 C ATOM 50 O ILE A 4 3.467 6.265 -3.411 1.00 0.00 O ATOM 51 CB ILE A 4 4.319 2.949 -3.737 1.00 0.00 C ATOM 52 CG1 ILE A 4 5.333 1.862 -3.375 1.00 0.00 C ATOM 53 CG2 ILE A 4 4.454 3.343 -5.199 1.00 0.00 C ATOM 54 CD1 ILE A 4 4.811 0.856 -2.375 1.00 0.00 C ATOM 55 H ILE A 4 4.241 2.978 -1.109 1.00 0.00 H ATOM 56 HA ILE A 4 5.404 4.698 -3.143 1.00 0.00 H ATOM 57 HB ILE A 4 3.321 2.567 -3.582 1.00 0.00 H ATOM 58 HG13 ILE A 4 6.212 2.328 -2.953 1.00 0.00 H ATOM 59 HG21 ILE A 4 5.222 2.743 -5.664 1.00 0.00 H ATOM 60 HG22 ILE A 4 3.513 3.177 -5.705 1.00 0.00 H ATOM 61 HG23 ILE A 4 4.719 4.386 -5.270 1.00 0.00 H ATOM 62 HD11 ILE A 4 4.593 -0.075 -2.879 1.00 0.00 H ATOM 63 HD12 ILE A 4 5.557 0.685 -1.612 1.00 0.00 H ATOM 64 HD13 ILE A 4 3.909 1.236 -1.919 1.00 0.00 H ATOM 65 N VAL A 5 2.125 4.608 -2.691 1.00 0.00 N ATOM 66 CA VAL A 5 0.904 5.398 -2.809 1.00 0.00 C ATOM 67 C VAL A 5 0.422 5.870 -1.442 1.00 0.00 C ATOM 68 O VAL A 5 -0.030 7.005 -1.291 1.00 0.00 O ATOM 69 CB VAL A 5 -0.219 4.593 -3.487 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.395 5.498 -3.825 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.302 3.897 -4.735 1.00 0.00 C ATOM 72 H VAL A 5 2.068 3.684 -2.372 1.00 0.00 H ATOM 73 HA VAL A 5 1.121 6.261 -3.422 1.00 0.00 H ATOM 74 HB VAL A 5 -0.563 3.839 -2.796 1.00 0.00 H ATOM 75 HG11 VAL A 5 -2.317 4.949 -3.708 1.00 0.00 H ATOM 76 HG12 VAL A 5 -1.396 6.351 -3.162 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.306 5.837 -4.848 1.00 0.00 H ATOM 78 HG21 VAL A 5 0.665 4.635 -5.435 1.00 0.00 H ATOM 79 HG22 VAL A 5 1.107 3.231 -4.464 1.00 0.00 H ATOM 80 HG23 VAL A 5 -0.495 3.330 -5.192 1.00 0.00 H ATOM 81 N GLU A 6 0.521 4.992 -0.448 1.00 0.00 N ATOM 82 CA GLU A 6 0.094 5.321 0.907 1.00 0.00 C ATOM 83 C GLU A 6 -1.375 5.734 0.928 1.00 0.00 C ATOM 84 O GLU A 6 -1.809 6.469 1.815 1.00 0.00 O ATOM 85 CB GLU A 6 0.960 6.446 1.479 1.00 0.00 C ATOM 86 CG GLU A 6 2.447 6.252 1.238 1.00 0.00 C ATOM 87 CD GLU A 6 3.270 6.427 2.499 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.440 5.436 3.240 1.00 0.00 O ATOM 89 OE2 GLU A 6 3.746 7.556 2.744 1.00 0.00 O ATOM 90 H GLU A 6 0.889 4.103 -0.631 1.00 0.00 H ATOM 91 HA GLU A 6 0.217 4.439 1.516 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.794 6.504 2.545 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.778 6.974 0.506 1.00 0.00 H ATOM 94 N GLN A 7 -2.133 5.256 -0.053 1.00 0.00 N ATOM 95 CA GLN A 7 -3.553 5.576 -0.147 1.00 0.00 C ATOM 96 C GLN A 7 -4.400 4.311 -0.083 1.00 0.00 C ATOM 97 O GLN A 7 -4.059 3.292 -0.685 1.00 0.00 O ATOM 98 CB GLN A 7 -3.840 6.334 -1.444 1.00 0.00 C ATOM 99 CG GLN A 7 -3.207 7.714 -1.496 1.00 0.00 C ATOM 100 CD GLN A 7 -3.929 8.654 -2.441 1.00 0.00 C ATOM 101 OE1 GLN A 7 -3.438 8.960 -3.527 1.00 0.00 O ATOM 102 NE2 GLN A 7 -5.105 9.117 -2.031 1.00 0.00 N ATOM 103 H GLN A 7 -1.728 4.675 -0.729 1.00 0.00 H ATOM 104 HA GLN A 7 -3.806 6.207 0.692 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.909 6.449 -1.550 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.182 7.613 -1.825 1.00 0.00 H ATOM 107 HE21 GLN A 7 -5.435 8.831 -1.153 1.00 0.00 H ATOM 108 HE22 GLN A 7 -5.594 9.726 -2.622 1.00 0.00 H ATOM 109 N CYS A 8 -5.508 4.382 0.648 1.00 0.00 N ATOM 110 CA CYS A 8 -6.406 3.241 0.790 1.00 0.00 C ATOM 111 C CYS A 8 -7.553 3.325 -0.210 1.00 0.00 C ATOM 112 O CYS A 8 -8.661 2.863 0.061 1.00 0.00 O ATOM 113 CB CYS A 8 -6.958 3.177 2.214 1.00 0.00 C ATOM 114 SG CYS A 8 -7.937 4.619 2.693 1.00 0.00 S ATOM 115 H CYS A 8 -5.727 5.222 1.102 1.00 0.00 H ATOM 116 HA CYS A 8 -5.836 2.347 0.593 1.00 0.00 H ATOM 117 HB3 CYS A 8 -6.135 3.092 2.908 1.00 0.00 H ATOM 118 HG CYS A 8 -7.131 5.481 3.294 1.00 0.00 H ATOM 119 N CYS A 9 -7.281 3.918 -1.367 1.00 0.00 N ATOM 120 CA CYS A 9 -8.292 4.063 -2.409 1.00 0.00 C ATOM 121 C CYS A 9 -7.872 3.334 -3.681 1.00 0.00 C ATOM 122 O CYS A 9 -8.713 2.904 -4.471 1.00 0.00 O ATOM 123 CB CYS A 9 -8.532 5.543 -2.711 1.00 0.00 C ATOM 124 SG CYS A 9 -9.270 6.466 -1.344 1.00 0.00 S ATOM 125 H CYS A 9 -6.378 4.267 -1.525 1.00 0.00 H ATOM 126 HA CYS A 9 -9.208 3.626 -2.044 1.00 0.00 H ATOM 127 HB3 CYS A 9 -9.193 5.625 -3.561 1.00 0.00 H ATOM 128 HG CYS A 9 -8.312 6.741 -0.471 1.00 0.00 H ATOM 129 N THR A 10 -6.562 3.198 -3.875 1.00 0.00 N ATOM 130 CA THR A 10 -6.031 2.523 -5.051 1.00 0.00 C ATOM 131 C THR A 10 -6.041 1.009 -4.870 1.00 0.00 C ATOM 132 O THR A 10 -6.866 0.311 -5.454 1.00 0.00 O ATOM 133 CB THR A 10 -4.592 2.982 -5.359 1.00 0.00 C ATOM 134 OG1 THR A 10 -3.862 3.159 -4.140 1.00 0.00 O ATOM 135 CG2 THR A 10 -4.596 4.284 -6.146 1.00 0.00 C ATOM 136 H THR A 10 -5.942 3.562 -3.210 1.00 0.00 H ATOM 137 HA THR A 10 -6.656 2.779 -5.895 1.00 0.00 H ATOM 138 HB THR A 10 -4.107 2.220 -5.954 1.00 0.00 H ATOM 139 HG1 THR A 10 -3.013 2.718 -4.210 1.00 0.00 H ATOM 140 HG21 THR A 10 -3.592 4.510 -6.472 1.00 0.00 H ATOM 141 HG22 THR A 10 -4.961 5.084 -5.519 1.00 0.00 H ATOM 142 HG23 THR A 10 -5.240 4.181 -7.008 1.00 0.00 H ATOM 143 N SER A 11 -5.118 0.511 -4.052 1.00 0.00 N ATOM 144 CA SER A 11 -5.020 -0.921 -3.795 1.00 0.00 C ATOM 145 C SER A 11 -4.086 -1.199 -2.621 1.00 0.00 C ATOM 146 O SER A 11 -3.194 -2.042 -2.711 1.00 0.00 O ATOM 147 CB SER A 11 -4.520 -1.652 -5.043 1.00 0.00 C ATOM 148 OG SER A 11 -5.580 -1.892 -5.952 1.00 0.00 O ATOM 149 H SER A 11 -4.488 1.119 -3.614 1.00 0.00 H ATOM 150 HA SER A 11 -6.007 -1.283 -3.547 1.00 0.00 H ATOM 151 HB3 SER A 11 -4.089 -2.599 -4.754 1.00 0.00 H ATOM 152 HG SER A 11 -5.221 -2.172 -6.797 1.00 0.00 H ATOM 153 N ILE A 12 -4.300 -0.485 -1.521 1.00 0.00 N ATOM 154 CA ILE A 12 -3.478 -0.655 -0.329 1.00 0.00 C ATOM 155 C ILE A 12 -3.523 -2.095 0.168 1.00 0.00 C ATOM 156 O ILE A 12 -2.597 -2.563 0.832 1.00 0.00 O ATOM 157 CB ILE A 12 -3.932 0.283 0.805 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.832 0.411 1.860 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.219 -0.230 1.433 1.00 0.00 C ATOM 160 CD1 ILE A 12 -2.352 1.831 2.066 1.00 0.00 C ATOM 161 H ILE A 12 -5.027 0.171 -1.511 1.00 0.00 H ATOM 162 HA ILE A 12 -2.458 -0.407 -0.590 1.00 0.00 H ATOM 163 HB ILE A 12 -4.128 1.256 0.381 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.982 -0.186 1.559 1.00 0.00 H ATOM 165 HG21 ILE A 12 -5.597 0.506 2.128 1.00 0.00 H ATOM 166 HG22 ILE A 12 -5.953 -0.401 0.660 1.00 0.00 H ATOM 167 HG23 ILE A 12 -5.023 -1.153 1.955 1.00 0.00 H ATOM 168 HD11 ILE A 12 -3.182 2.449 2.380 1.00 0.00 H ATOM 169 HD12 ILE A 12 -1.586 1.847 2.826 1.00 0.00 H ATOM 170 HD13 ILE A 12 -1.951 2.214 1.140 1.00 0.00 H ATOM 171 N CYS A 13 -4.605 -2.794 -0.158 1.00 0.00 N ATOM 172 CA CYS A 13 -4.770 -4.184 0.255 1.00 0.00 C ATOM 173 C CYS A 13 -3.868 -5.105 -0.559 1.00 0.00 C ATOM 174 O CYS A 13 -3.765 -6.298 -0.276 1.00 0.00 O ATOM 175 CB CYS A 13 -6.231 -4.612 0.100 1.00 0.00 C ATOM 176 SG CYS A 13 -6.800 -4.685 -1.615 1.00 0.00 S ATOM 177 H CYS A 13 -5.309 -2.367 -0.690 1.00 0.00 H ATOM 178 HA CYS A 13 -4.492 -4.254 1.295 1.00 0.00 H ATOM 179 HB3 CYS A 13 -6.862 -3.913 0.628 1.00 0.00 H ATOM 180 HG CYS A 13 -7.187 -5.927 -1.864 1.00 0.00 H ATOM 181 N SER A 14 -3.218 -4.543 -1.573 1.00 0.00 N ATOM 182 CA SER A 14 -2.328 -5.315 -2.432 1.00 0.00 C ATOM 183 C SER A 14 -0.916 -5.357 -1.854 1.00 0.00 C ATOM 184 O SER A 14 -0.183 -6.328 -2.050 1.00 0.00 O ATOM 185 CB SER A 14 -2.296 -4.714 -3.839 1.00 0.00 C ATOM 186 OG SER A 14 -1.306 -3.705 -3.941 1.00 0.00 O ATOM 187 H SER A 14 -3.342 -3.586 -1.748 1.00 0.00 H ATOM 188 HA SER A 14 -2.713 -6.322 -2.488 1.00 0.00 H ATOM 189 HB3 SER A 14 -3.259 -4.280 -4.064 1.00 0.00 H ATOM 190 HG SER A 14 -1.168 -3.485 -4.866 1.00 0.00 H ATOM 191 N LEU A 15 -0.543 -4.301 -1.141 1.00 0.00 N ATOM 192 CA LEU A 15 0.780 -4.217 -0.532 1.00 0.00 C ATOM 193 C LEU A 15 0.678 -4.150 0.988 1.00 0.00 C ATOM 194 O LEU A 15 1.683 -4.003 1.682 1.00 0.00 O ATOM 195 CB LEU A 15 1.527 -2.992 -1.060 1.00 0.00 C ATOM 196 CG LEU A 15 1.393 -1.714 -0.228 1.00 0.00 C ATOM 197 CD1 LEU A 15 2.231 -0.596 -0.829 1.00 0.00 C ATOM 198 CD2 LEU A 15 -0.066 -1.294 -0.129 1.00 0.00 C ATOM 199 H LEU A 15 -1.172 -3.560 -1.020 1.00 0.00 H ATOM 200 HA LEU A 15 1.326 -5.107 -0.805 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.159 -2.781 -2.054 1.00 0.00 H ATOM 202 HG LEU A 15 1.757 -1.903 0.772 1.00 0.00 H ATOM 203 HD11 LEU A 15 2.169 -0.638 -1.906 1.00 0.00 H ATOM 204 HD12 LEU A 15 3.259 -0.713 -0.523 1.00 0.00 H ATOM 205 HD13 LEU A 15 1.859 0.357 -0.483 1.00 0.00 H ATOM 206 HD21 LEU A 15 -0.133 -0.218 -0.139 1.00 0.00 H ATOM 207 HD22 LEU A 15 -0.487 -1.674 0.791 1.00 0.00 H ATOM 208 HD23 LEU A 15 -0.616 -1.698 -0.968 1.00 0.00 H ATOM 209 N TYR A 16 -0.545 -4.260 1.498 1.00 0.00 N ATOM 210 CA TYR A 16 -0.778 -4.212 2.937 1.00 0.00 C ATOM 211 C TYR A 16 0.122 -5.203 3.669 1.00 0.00 C ATOM 212 O TYR A 16 0.826 -4.838 4.609 1.00 0.00 O ATOM 213 CB TYR A 16 -2.246 -4.515 3.246 1.00 0.00 C ATOM 214 CG TYR A 16 -2.893 -3.501 4.162 1.00 0.00 C ATOM 215 CD1 TYR A 16 -2.430 -3.311 5.459 1.00 0.00 C ATOM 216 CD2 TYR A 16 -3.966 -2.731 3.731 1.00 0.00 C ATOM 217 CE1 TYR A 16 -3.019 -2.387 6.299 1.00 0.00 C ATOM 218 CE2 TYR A 16 -4.560 -1.803 4.564 1.00 0.00 C ATOM 219 CZ TYR A 16 -4.083 -1.635 5.847 1.00 0.00 C ATOM 220 OH TYR A 16 -4.672 -0.712 6.681 1.00 0.00 O ATOM 221 H TYR A 16 -1.308 -4.376 0.894 1.00 0.00 H ATOM 222 HA TYR A 16 -0.548 -3.213 3.276 1.00 0.00 H ATOM 223 HB3 TYR A 16 -2.314 -5.483 3.721 1.00 0.00 H ATOM 224 HD1 TYR A 16 -1.596 -3.901 5.809 1.00 0.00 H ATOM 225 HD2 TYR A 16 -4.339 -2.866 2.725 1.00 0.00 H ATOM 226 HE1 TYR A 16 -2.646 -2.254 7.303 1.00 0.00 H ATOM 227 HE2 TYR A 16 -5.395 -1.214 4.211 1.00 0.00 H ATOM 228 HH TYR A 16 -5.279 -1.160 7.276 1.00 0.00 H ATOM 229 N GLN A 17 0.091 -6.456 3.229 1.00 0.00 N ATOM 230 CA GLN A 17 0.905 -7.500 3.843 1.00 0.00 C ATOM 231 C GLN A 17 2.359 -7.388 3.399 1.00 0.00 C ATOM 232 O GLN A 17 3.223 -8.125 3.875 1.00 0.00 O ATOM 233 CB GLN A 17 0.354 -8.882 3.483 1.00 0.00 C ATOM 234 CG GLN A 17 -1.053 -9.128 4.000 1.00 0.00 C ATOM 235 CD GLN A 17 -1.147 -10.364 4.871 1.00 0.00 C ATOM 236 OE1 GLN A 17 -0.420 -10.500 5.857 1.00 0.00 O ATOM 237 NE2 GLN A 17 -2.044 -11.277 4.513 1.00 0.00 N ATOM 238 H GLN A 17 -0.491 -6.685 2.476 1.00 0.00 H ATOM 239 HA GLN A 17 0.858 -7.370 4.913 1.00 0.00 H ATOM 240 HB3 GLN A 17 1.005 -9.635 3.902 1.00 0.00 H ATOM 241 HG3 GLN A 17 -1.716 -9.250 3.157 1.00 0.00 H ATOM 242 HE21 GLN A 17 -2.587 -11.102 3.716 1.00 0.00 H ATOM 243 HE22 GLN A 17 -2.125 -12.085 5.059 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 11 ATOM 1 N LYS A 1 6.888 -1.971 5.494 1.00 0.00 N ATOM 2 CA LYS A 1 7.447 -0.679 5.110 1.00 0.00 C ATOM 3 C LYS A 1 7.164 -0.378 3.642 1.00 0.00 C ATOM 4 O LYS A 1 7.558 -1.136 2.755 1.00 0.00 O ATOM 5 CB LYS A 1 8.957 -0.659 5.363 1.00 0.00 C ATOM 6 CG LYS A 1 9.553 0.738 5.373 1.00 0.00 C ATOM 7 CD LYS A 1 11.060 0.701 5.558 1.00 0.00 C ATOM 8 CE LYS A 1 11.789 0.891 4.238 1.00 0.00 C ATOM 9 NZ LYS A 1 12.444 2.227 4.152 1.00 0.00 N ATOM 10 H1 LYS A 1 6.796 -2.672 4.814 1.00 0.00 H ATOM 11 HA LYS A 1 6.979 0.079 5.718 1.00 0.00 H ATOM 12 HB3 LYS A 1 9.447 -1.230 4.589 1.00 0.00 H ATOM 13 HG3 LYS A 1 9.114 1.300 6.185 1.00 0.00 H ATOM 14 HD3 LYS A 1 11.339 -0.256 5.979 1.00 0.00 H ATOM 15 HE3 LYS A 1 11.076 0.796 3.432 1.00 0.00 H ATOM 16 HZ1 LYS A 1 13.460 2.140 4.351 1.00 0.00 H ATOM 17 HZ2 LYS A 1 12.018 2.876 4.844 1.00 0.00 H ATOM 18 HZ3 LYS A 1 12.320 2.624 3.199 1.00 0.00 H ATOM 19 N ARG A 2 6.479 0.733 3.393 1.00 0.00 N ATOM 20 CA ARG A 2 6.143 1.134 2.032 1.00 0.00 C ATOM 21 C ARG A 2 6.464 2.608 1.803 1.00 0.00 C ATOM 22 O ARG A 2 7.033 3.270 2.670 1.00 0.00 O ATOM 23 CB ARG A 2 4.661 0.876 1.752 1.00 0.00 C ATOM 24 CG ARG A 2 3.729 1.516 2.767 1.00 0.00 C ATOM 25 CD ARG A 2 3.501 0.608 3.966 1.00 0.00 C ATOM 26 NE ARG A 2 2.196 -0.045 3.918 1.00 0.00 N ATOM 27 CZ ARG A 2 1.061 0.552 4.264 1.00 0.00 C ATOM 28 NH1 ARG A 2 1.073 1.810 4.683 1.00 0.00 N ATOM 29 NH2 ARG A 2 -0.087 -0.109 4.194 1.00 0.00 N ATOM 30 H ARG A 2 6.192 1.296 4.141 1.00 0.00 H ATOM 31 HA ARG A 2 6.735 0.539 1.354 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.486 -0.189 1.758 1.00 0.00 H ATOM 33 HG3 ARG A 2 2.779 1.718 2.295 1.00 0.00 H ATOM 34 HD3 ARG A 2 3.564 1.201 4.867 1.00 0.00 H ATOM 35 HE ARG A 2 2.166 -0.976 3.612 1.00 0.00 H ATOM 36 HH11 ARG A 2 1.936 2.311 4.737 1.00 0.00 H ATOM 37 HH12 ARG A 2 0.216 2.258 4.943 1.00 0.00 H ATOM 38 HH21 ARG A 2 -0.099 -1.058 3.879 1.00 0.00 H ATOM 39 HH22 ARG A 2 -0.940 0.341 4.456 1.00 0.00 H ATOM 40 N GLY A 3 6.097 3.114 0.630 1.00 0.00 N ATOM 41 CA GLY A 3 6.355 4.507 0.309 1.00 0.00 C ATOM 42 C GLY A 3 6.195 4.799 -1.169 1.00 0.00 C ATOM 43 O GLY A 3 7.023 5.490 -1.765 1.00 0.00 O ATOM 44 H GLY A 3 5.646 2.539 -0.022 1.00 0.00 H ATOM 45 HA2 GLY A 3 5.668 5.126 0.865 1.00 0.00 H ATOM 46 HA3 GLY A 3 7.365 4.749 0.606 1.00 0.00 H ATOM 47 N ILE A 4 5.129 4.272 -1.762 1.00 0.00 N ATOM 48 CA ILE A 4 4.864 4.482 -3.181 1.00 0.00 C ATOM 49 C ILE A 4 3.509 5.149 -3.395 1.00 0.00 C ATOM 50 O ILE A 4 3.290 5.826 -4.399 1.00 0.00 O ATOM 51 CB ILE A 4 4.899 3.155 -3.962 1.00 0.00 C ATOM 52 CG1 ILE A 4 4.581 1.982 -3.032 1.00 0.00 C ATOM 53 CG2 ILE A 4 6.259 2.964 -4.620 1.00 0.00 C ATOM 54 CD1 ILE A 4 3.165 1.998 -2.502 1.00 0.00 C ATOM 55 H ILE A 4 4.506 3.732 -1.235 1.00 0.00 H ATOM 56 HA ILE A 4 5.636 5.128 -3.572 1.00 0.00 H ATOM 57 HB ILE A 4 4.152 3.201 -4.740 1.00 0.00 H ATOM 58 HG13 ILE A 4 5.254 2.011 -2.187 1.00 0.00 H ATOM 59 HG21 ILE A 4 6.448 3.783 -5.296 1.00 0.00 H ATOM 60 HG22 ILE A 4 7.025 2.940 -3.861 1.00 0.00 H ATOM 61 HG23 ILE A 4 6.264 2.035 -5.169 1.00 0.00 H ATOM 62 HD11 ILE A 4 3.162 2.386 -1.493 1.00 0.00 H ATOM 63 HD12 ILE A 4 2.552 2.628 -3.129 1.00 0.00 H ATOM 64 HD13 ILE A 4 2.770 0.993 -2.501 1.00 0.00 H ATOM 65 N VAL A 5 2.604 4.954 -2.442 1.00 0.00 N ATOM 66 CA VAL A 5 1.270 5.539 -2.523 1.00 0.00 C ATOM 67 C VAL A 5 0.836 6.109 -1.177 1.00 0.00 C ATOM 68 O VAL A 5 0.563 7.304 -1.058 1.00 0.00 O ATOM 69 CB VAL A 5 0.230 4.502 -2.987 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.149 5.134 -3.082 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.641 3.896 -4.321 1.00 0.00 C ATOM 72 H VAL A 5 2.837 4.404 -1.665 1.00 0.00 H ATOM 73 HA VAL A 5 1.300 6.337 -3.249 1.00 0.00 H ATOM 74 HB VAL A 5 0.188 3.710 -2.254 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.881 4.371 -3.303 1.00 0.00 H ATOM 76 HG12 VAL A 5 -1.394 5.608 -2.143 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.153 5.875 -3.870 1.00 0.00 H ATOM 78 HG21 VAL A 5 -0.170 3.996 -5.026 1.00 0.00 H ATOM 79 HG22 VAL A 5 1.511 4.411 -4.697 1.00 0.00 H ATOM 80 HG23 VAL A 5 0.872 2.849 -4.185 1.00 0.00 H ATOM 81 N GLU A 6 0.777 5.249 -0.167 1.00 0.00 N ATOM 82 CA GLU A 6 0.377 5.668 1.170 1.00 0.00 C ATOM 83 C GLU A 6 -1.066 6.165 1.177 1.00 0.00 C ATOM 84 O GLU A 6 -1.433 7.027 1.974 1.00 0.00 O ATOM 85 CB GLU A 6 1.308 6.770 1.684 1.00 0.00 C ATOM 86 CG GLU A 6 2.781 6.474 1.459 1.00 0.00 C ATOM 87 CD GLU A 6 3.613 6.665 2.712 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.407 7.679 3.411 1.00 0.00 O ATOM 89 OE2 GLU A 6 4.470 5.801 2.993 1.00 0.00 O ATOM 90 H GLU A 6 1.008 4.310 -0.325 1.00 0.00 H ATOM 91 HA GLU A 6 0.454 4.812 1.824 1.00 0.00 H ATOM 92 HB3 GLU A 6 1.147 6.894 2.745 1.00 0.00 H ATOM 93 HG3 GLU A 6 3.155 7.138 0.692 1.00 0.00 H ATOM 94 N GLN A 7 -1.880 5.612 0.281 1.00 0.00 N ATOM 95 CA GLN A 7 -3.281 5.999 0.182 1.00 0.00 C ATOM 96 C GLN A 7 -4.194 4.800 0.417 1.00 0.00 C ATOM 97 O GLN A 7 -3.770 3.651 0.297 1.00 0.00 O ATOM 98 CB GLN A 7 -3.567 6.611 -1.190 1.00 0.00 C ATOM 99 CG GLN A 7 -2.722 7.837 -1.498 1.00 0.00 C ATOM 100 CD GLN A 7 -2.573 8.084 -2.985 1.00 0.00 C ATOM 101 OE1 GLN A 7 -1.466 8.288 -3.486 1.00 0.00 O ATOM 102 NE2 GLN A 7 -3.689 8.069 -3.703 1.00 0.00 N ATOM 103 H GLN A 7 -1.527 4.930 -0.327 1.00 0.00 H ATOM 104 HA GLN A 7 -3.475 6.739 0.944 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.607 6.898 -1.233 1.00 0.00 H ATOM 106 HG3 GLN A 7 -1.741 7.698 -1.070 1.00 0.00 H ATOM 107 HE21 GLN A 7 -4.536 7.902 -3.239 1.00 0.00 H ATOM 108 HE22 GLN A 7 -3.623 8.227 -4.668 1.00 0.00 H ATOM 109 N CYS A 8 -5.449 5.077 0.754 1.00 0.00 N ATOM 110 CA CYS A 8 -6.423 4.022 1.008 1.00 0.00 C ATOM 111 C CYS A 8 -7.603 4.126 0.047 1.00 0.00 C ATOM 112 O CYS A 8 -8.758 3.983 0.449 1.00 0.00 O ATOM 113 CB CYS A 8 -6.919 4.093 2.453 1.00 0.00 C ATOM 114 SG CYS A 8 -7.428 5.747 2.978 1.00 0.00 S ATOM 115 H CYS A 8 -5.729 6.013 0.834 1.00 0.00 H ATOM 116 HA CYS A 8 -5.932 3.073 0.852 1.00 0.00 H ATOM 117 HB3 CYS A 8 -6.130 3.766 3.114 1.00 0.00 H ATOM 118 HG CYS A 8 -8.749 5.812 2.900 1.00 0.00 H ATOM 119 N CYS A 9 -7.303 4.379 -1.222 1.00 0.00 N ATOM 120 CA CYS A 9 -8.339 4.506 -2.242 1.00 0.00 C ATOM 121 C CYS A 9 -8.152 3.467 -3.341 1.00 0.00 C ATOM 122 O CYS A 9 -9.120 2.993 -3.936 1.00 0.00 O ATOM 123 CB CYS A 9 -8.322 5.913 -2.843 1.00 0.00 C ATOM 124 SG CYS A 9 -9.774 6.909 -2.431 1.00 0.00 S ATOM 125 H CYS A 9 -6.365 4.484 -1.482 1.00 0.00 H ATOM 126 HA CYS A 9 -9.294 4.340 -1.765 1.00 0.00 H ATOM 127 HB3 CYS A 9 -8.269 5.835 -3.918 1.00 0.00 H ATOM 128 HG CYS A 9 -10.456 6.269 -1.493 1.00 0.00 H ATOM 129 N THR A 10 -6.896 3.117 -3.610 1.00 0.00 N ATOM 130 CA THR A 10 -6.580 2.136 -4.639 1.00 0.00 C ATOM 131 C THR A 10 -6.349 0.757 -4.033 1.00 0.00 C ATOM 132 O THR A 10 -6.594 0.541 -2.847 1.00 0.00 O ATOM 133 CB THR A 10 -5.332 2.548 -5.443 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.161 2.420 -4.628 1.00 0.00 O ATOM 135 CG2 THR A 10 -5.457 3.980 -5.939 1.00 0.00 C ATOM 136 H THR A 10 -6.168 3.530 -3.101 1.00 0.00 H ATOM 137 HA THR A 10 -7.418 2.083 -5.319 1.00 0.00 H ATOM 138 HB THR A 10 -5.240 1.893 -6.297 1.00 0.00 H ATOM 139 HG1 THR A 10 -4.306 2.861 -3.788 1.00 0.00 H ATOM 140 HG21 THR A 10 -6.283 4.050 -6.631 1.00 0.00 H ATOM 141 HG22 THR A 10 -4.543 4.268 -6.440 1.00 0.00 H ATOM 142 HG23 THR A 10 -5.631 4.638 -5.101 1.00 0.00 H ATOM 143 N SER A 11 -5.875 -0.174 -4.854 1.00 0.00 N ATOM 144 CA SER A 11 -5.612 -1.534 -4.399 1.00 0.00 C ATOM 145 C SER A 11 -4.396 -1.575 -3.479 1.00 0.00 C ATOM 146 O SER A 11 -3.290 -1.906 -3.907 1.00 0.00 O ATOM 147 CB SER A 11 -5.390 -2.461 -5.596 1.00 0.00 C ATOM 148 OG SER A 11 -6.193 -2.073 -6.697 1.00 0.00 O ATOM 149 H SER A 11 -5.698 0.060 -5.790 1.00 0.00 H ATOM 150 HA SER A 11 -6.477 -1.871 -3.848 1.00 0.00 H ATOM 151 HB3 SER A 11 -5.649 -3.473 -5.317 1.00 0.00 H ATOM 152 HG SER A 11 -5.976 -2.615 -7.459 1.00 0.00 H ATOM 153 N ILE A 12 -4.608 -1.234 -2.212 1.00 0.00 N ATOM 154 CA ILE A 12 -3.532 -1.231 -1.231 1.00 0.00 C ATOM 155 C ILE A 12 -3.371 -2.604 -0.587 1.00 0.00 C ATOM 156 O ILE A 12 -2.271 -2.990 -0.188 1.00 0.00 O ATOM 157 CB ILE A 12 -3.777 -0.185 -0.128 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.518 -0.002 0.721 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.953 -0.599 0.742 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.855 1.347 0.537 1.00 0.00 C ATOM 161 H ILE A 12 -5.512 -0.978 -1.932 1.00 0.00 H ATOM 162 HA ILE A 12 -2.615 -0.977 -1.743 1.00 0.00 H ATOM 163 HB ILE A 12 -4.023 0.754 -0.601 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.799 -0.764 0.455 1.00 0.00 H ATOM 165 HG21 ILE A 12 -5.121 0.150 1.502 1.00 0.00 H ATOM 166 HG22 ILE A 12 -5.837 -0.694 0.131 1.00 0.00 H ATOM 167 HG23 ILE A 12 -4.737 -1.546 1.214 1.00 0.00 H ATOM 168 HD11 ILE A 12 -1.894 1.896 1.467 1.00 0.00 H ATOM 169 HD12 ILE A 12 -0.824 1.205 0.246 1.00 0.00 H ATOM 170 HD13 ILE A 12 -2.375 1.902 -0.230 1.00 0.00 H ATOM 171 N CYS A 13 -4.474 -3.338 -0.490 1.00 0.00 N ATOM 172 CA CYS A 13 -4.456 -4.670 0.104 1.00 0.00 C ATOM 173 C CYS A 13 -3.380 -5.539 -0.539 1.00 0.00 C ATOM 174 O CYS A 13 -2.831 -6.437 0.099 1.00 0.00 O ATOM 175 CB CYS A 13 -5.825 -5.337 -0.047 1.00 0.00 C ATOM 176 SG CYS A 13 -6.374 -5.514 -1.760 1.00 0.00 S ATOM 177 H CYS A 13 -5.321 -2.976 -0.826 1.00 0.00 H ATOM 178 HA CYS A 13 -4.233 -4.560 1.154 1.00 0.00 H ATOM 179 HB3 CYS A 13 -6.563 -4.749 0.478 1.00 0.00 H ATOM 180 HG CYS A 13 -7.698 -5.516 -1.765 1.00 0.00 H ATOM 181 N SER A 14 -3.086 -5.265 -1.806 1.00 0.00 N ATOM 182 CA SER A 14 -2.080 -6.025 -2.537 1.00 0.00 C ATOM 183 C SER A 14 -0.736 -5.986 -1.815 1.00 0.00 C ATOM 184 O SER A 14 0.098 -6.874 -1.983 1.00 0.00 O ATOM 185 CB SER A 14 -1.925 -5.474 -3.957 1.00 0.00 C ATOM 186 OG SER A 14 -1.043 -6.275 -4.722 1.00 0.00 O ATOM 187 H SER A 14 -3.559 -4.537 -2.260 1.00 0.00 H ATOM 188 HA SER A 14 -2.414 -7.051 -2.594 1.00 0.00 H ATOM 189 HB3 SER A 14 -1.528 -4.470 -3.907 1.00 0.00 H ATOM 190 HG SER A 14 -1.507 -7.058 -5.029 1.00 0.00 H ATOM 191 N LEU A 15 -0.536 -4.946 -1.010 1.00 0.00 N ATOM 192 CA LEU A 15 0.706 -4.788 -0.260 1.00 0.00 C ATOM 193 C LEU A 15 0.440 -4.805 1.242 1.00 0.00 C ATOM 194 O LEU A 15 1.299 -5.199 2.030 1.00 0.00 O ATOM 195 CB LEU A 15 1.400 -3.485 -0.654 1.00 0.00 C ATOM 196 CG LEU A 15 0.902 -2.220 0.050 1.00 0.00 C ATOM 197 CD1 LEU A 15 1.738 -1.938 1.289 1.00 0.00 C ATOM 198 CD2 LEU A 15 0.935 -1.033 -0.900 1.00 0.00 C ATOM 199 H LEU A 15 -1.238 -4.271 -0.918 1.00 0.00 H ATOM 200 HA LEU A 15 1.350 -5.620 -0.508 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.264 -3.346 -1.718 1.00 0.00 H ATOM 202 HG LEU A 15 -0.120 -2.371 0.367 1.00 0.00 H ATOM 203 HD11 LEU A 15 1.102 -1.939 2.160 1.00 0.00 H ATOM 204 HD12 LEU A 15 2.212 -0.971 1.189 1.00 0.00 H ATOM 205 HD13 LEU A 15 2.496 -2.699 1.394 1.00 0.00 H ATOM 206 HD21 LEU A 15 0.843 -0.118 -0.336 1.00 0.00 H ATOM 207 HD22 LEU A 15 0.113 -1.109 -1.598 1.00 0.00 H ATOM 208 HD23 LEU A 15 1.868 -1.031 -1.442 1.00 0.00 H ATOM 209 N TYR A 16 -0.755 -4.374 1.630 1.00 0.00 N ATOM 210 CA TYR A 16 -1.134 -4.338 3.038 1.00 0.00 C ATOM 211 C TYR A 16 -1.094 -5.735 3.649 1.00 0.00 C ATOM 212 O TYR A 16 -0.673 -5.911 4.792 1.00 0.00 O ATOM 213 CB TYR A 16 -2.533 -3.740 3.195 1.00 0.00 C ATOM 214 CG TYR A 16 -2.599 -2.613 4.201 1.00 0.00 C ATOM 215 CD1 TYR A 16 -1.955 -2.710 5.427 1.00 0.00 C ATOM 216 CD2 TYR A 16 -3.308 -1.451 3.924 1.00 0.00 C ATOM 217 CE1 TYR A 16 -2.013 -1.682 6.349 1.00 0.00 C ATOM 218 CE2 TYR A 16 -3.372 -0.417 4.840 1.00 0.00 C ATOM 219 CZ TYR A 16 -2.723 -0.538 6.051 1.00 0.00 C ATOM 220 OH TYR A 16 -2.784 0.487 6.965 1.00 0.00 O ATOM 221 H TYR A 16 -1.397 -4.071 0.955 1.00 0.00 H ATOM 222 HA TYR A 16 -0.425 -3.710 3.556 1.00 0.00 H ATOM 223 HB3 TYR A 16 -3.214 -4.514 3.519 1.00 0.00 H ATOM 224 HD1 TYR A 16 -1.400 -3.609 5.659 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.816 -1.359 2.975 1.00 0.00 H ATOM 226 HE1 TYR A 16 -1.505 -1.777 7.299 1.00 0.00 H ATOM 227 HE2 TYR A 16 -3.927 0.479 4.606 1.00 0.00 H ATOM 228 HH TYR A 16 -2.962 1.313 6.509 1.00 0.00 H ATOM 229 N GLN A 17 -1.533 -6.724 2.878 1.00 0.00 N ATOM 230 CA GLN A 17 -1.547 -8.106 3.341 1.00 0.00 C ATOM 231 C GLN A 17 -2.272 -8.223 4.679 1.00 0.00 C ATOM 232 O GLN A 17 -3.210 -9.008 4.822 1.00 0.00 O ATOM 233 CB GLN A 17 -0.119 -8.637 3.473 1.00 0.00 C ATOM 234 CG GLN A 17 0.599 -8.786 2.142 1.00 0.00 C ATOM 235 CD GLN A 17 0.789 -10.237 1.741 1.00 0.00 C ATOM 236 OE1 GLN A 17 -0.154 -11.027 1.761 1.00 0.00 O ATOM 237 NE2 GLN A 17 2.016 -10.593 1.376 1.00 0.00 N ATOM 238 H GLN A 17 -1.855 -6.520 1.975 1.00 0.00 H ATOM 239 HA GLN A 17 -2.075 -8.697 2.608 1.00 0.00 H ATOM 240 HB3 GLN A 17 -0.151 -9.605 3.952 1.00 0.00 H ATOM 241 HG3 GLN A 17 1.570 -8.318 2.217 1.00 0.00 H ATOM 242 HE21 GLN A 17 2.718 -9.910 1.386 1.00 0.00 H ATOM 243 HE22 GLN A 17 2.167 -11.524 1.112 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 12 ATOM 1 N LYS A 1 10.570 0.048 0.297 1.00 0.00 N ATOM 2 CA LYS A 1 9.700 -0.206 1.439 1.00 0.00 C ATOM 3 C LYS A 1 8.832 1.011 1.744 1.00 0.00 C ATOM 4 O LYS A 1 9.346 2.096 2.023 1.00 0.00 O ATOM 5 CB LYS A 1 10.533 -0.573 2.670 1.00 0.00 C ATOM 6 CG LYS A 1 9.867 -1.595 3.573 1.00 0.00 C ATOM 7 CD LYS A 1 10.883 -2.327 4.434 1.00 0.00 C ATOM 8 CE LYS A 1 10.238 -3.461 5.216 1.00 0.00 C ATOM 9 NZ LYS A 1 10.097 -3.129 6.660 1.00 0.00 N ATOM 10 H1 LYS A 1 11.320 0.672 0.396 1.00 0.00 H ATOM 11 HA LYS A 1 9.057 -1.037 1.190 1.00 0.00 H ATOM 12 HB3 LYS A 1 10.715 0.322 3.247 1.00 0.00 H ATOM 13 HG3 LYS A 1 9.341 -2.316 2.961 1.00 0.00 H ATOM 14 HD3 LYS A 1 11.324 -1.627 5.130 1.00 0.00 H ATOM 15 HE3 LYS A 1 10.853 -4.344 5.116 1.00 0.00 H ATOM 16 HZ1 LYS A 1 10.543 -2.212 6.861 1.00 0.00 H ATOM 17 HZ2 LYS A 1 10.557 -3.861 7.240 1.00 0.00 H ATOM 18 HZ3 LYS A 1 9.092 -3.078 6.919 1.00 0.00 H ATOM 19 N ARG A 2 7.519 0.826 1.692 1.00 0.00 N ATOM 20 CA ARG A 2 6.581 1.908 1.962 1.00 0.00 C ATOM 21 C ARG A 2 6.886 3.123 1.090 1.00 0.00 C ATOM 22 O ARG A 2 7.719 3.057 0.187 1.00 0.00 O ATOM 23 CB ARG A 2 6.637 2.302 3.440 1.00 0.00 C ATOM 24 CG ARG A 2 6.536 1.120 4.389 1.00 0.00 C ATOM 25 CD ARG A 2 5.211 0.392 4.235 1.00 0.00 C ATOM 26 NE ARG A 2 4.095 1.163 4.775 1.00 0.00 N ATOM 27 CZ ARG A 2 2.820 0.829 4.607 1.00 0.00 C ATOM 28 NH1 ARG A 2 2.501 -0.257 3.919 1.00 0.00 N ATOM 29 NH2 ARG A 2 1.862 1.584 5.130 1.00 0.00 N ATOM 30 H ARG A 2 7.170 -0.063 1.465 1.00 0.00 H ATOM 31 HA ARG A 2 5.588 1.554 1.730 1.00 0.00 H ATOM 32 HB3 ARG A 2 5.821 2.975 3.652 1.00 0.00 H ATOM 33 HG3 ARG A 2 6.624 1.476 5.405 1.00 0.00 H ATOM 34 HD3 ARG A 2 5.269 -0.552 4.756 1.00 0.00 H ATOM 35 HE ARG A 2 4.308 1.971 5.287 1.00 0.00 H ATOM 36 HH11 ARG A 2 3.221 -0.828 3.525 1.00 0.00 H ATOM 37 HH12 ARG A 2 1.539 -0.507 3.795 1.00 0.00 H ATOM 38 HH21 ARG A 2 2.098 2.404 5.649 1.00 0.00 H ATOM 39 HH22 ARG A 2 0.903 1.332 5.003 1.00 0.00 H ATOM 40 N GLY A 3 6.206 4.230 1.368 1.00 0.00 N ATOM 41 CA GLY A 3 6.418 5.443 0.599 1.00 0.00 C ATOM 42 C GLY A 3 6.255 5.222 -0.892 1.00 0.00 C ATOM 43 O GLY A 3 7.057 5.704 -1.690 1.00 0.00 O ATOM 44 H GLY A 3 5.555 4.224 2.099 1.00 0.00 H ATOM 45 HA2 GLY A 3 5.708 6.190 0.923 1.00 0.00 H ATOM 46 HA3 GLY A 3 7.418 5.806 0.789 1.00 0.00 H ATOM 47 N ILE A 4 5.211 4.487 -1.267 1.00 0.00 N ATOM 48 CA ILE A 4 4.945 4.202 -2.671 1.00 0.00 C ATOM 49 C ILE A 4 3.576 4.727 -3.089 1.00 0.00 C ATOM 50 O ILE A 4 3.336 4.995 -4.266 1.00 0.00 O ATOM 51 CB ILE A 4 5.014 2.691 -2.962 1.00 0.00 C ATOM 52 CG1 ILE A 4 4.688 1.892 -1.700 1.00 0.00 C ATOM 53 CG2 ILE A 4 6.390 2.316 -3.492 1.00 0.00 C ATOM 54 CD1 ILE A 4 3.263 2.072 -1.221 1.00 0.00 C ATOM 55 H ILE A 4 4.608 4.130 -0.585 1.00 0.00 H ATOM 56 HA ILE A 4 5.704 4.697 -3.261 1.00 0.00 H ATOM 57 HB ILE A 4 4.286 2.460 -3.724 1.00 0.00 H ATOM 58 HG13 ILE A 4 5.347 2.204 -0.903 1.00 0.00 H ATOM 59 HG21 ILE A 4 6.375 1.294 -3.842 1.00 0.00 H ATOM 60 HG22 ILE A 4 6.651 2.971 -4.310 1.00 0.00 H ATOM 61 HG23 ILE A 4 7.120 2.415 -2.703 1.00 0.00 H ATOM 62 HD11 ILE A 4 2.655 2.442 -2.034 1.00 0.00 H ATOM 63 HD12 ILE A 4 2.873 1.124 -0.883 1.00 0.00 H ATOM 64 HD13 ILE A 4 3.244 2.782 -0.408 1.00 0.00 H ATOM 65 N VAL A 5 2.683 4.874 -2.116 1.00 0.00 N ATOM 66 CA VAL A 5 1.338 5.370 -2.381 1.00 0.00 C ATOM 67 C VAL A 5 0.780 6.119 -1.177 1.00 0.00 C ATOM 68 O VAL A 5 0.419 7.291 -1.275 1.00 0.00 O ATOM 69 CB VAL A 5 0.378 4.222 -2.747 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.028 4.755 -2.978 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.883 3.477 -3.973 1.00 0.00 C ATOM 72 H VAL A 5 2.934 4.643 -1.197 1.00 0.00 H ATOM 73 HA VAL A 5 1.391 6.048 -3.222 1.00 0.00 H ATOM 74 HB VAL A 5 0.346 3.530 -1.918 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.696 4.339 -2.238 1.00 0.00 H ATOM 76 HG12 VAL A 5 -1.024 5.831 -2.897 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.363 4.469 -3.964 1.00 0.00 H ATOM 78 HG21 VAL A 5 0.188 2.689 -4.227 1.00 0.00 H ATOM 79 HG22 VAL A 5 0.966 4.163 -4.802 1.00 0.00 H ATOM 80 HG23 VAL A 5 1.852 3.048 -3.761 1.00 0.00 H ATOM 81 N GLU A 6 0.716 5.434 -0.039 1.00 0.00 N ATOM 82 CA GLU A 6 0.202 6.037 1.186 1.00 0.00 C ATOM 83 C GLU A 6 -1.267 6.420 1.029 1.00 0.00 C ATOM 84 O GLU A 6 -1.772 7.287 1.741 1.00 0.00 O ATOM 85 CB GLU A 6 1.025 7.272 1.558 1.00 0.00 C ATOM 86 CG GLU A 6 2.525 7.060 1.445 1.00 0.00 C ATOM 87 CD GLU A 6 3.148 7.883 0.334 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.007 9.124 0.364 1.00 0.00 O ATOM 89 OE2 GLU A 6 3.778 7.287 -0.565 1.00 0.00 O ATOM 90 H GLU A 6 1.019 4.503 -0.023 1.00 0.00 H ATOM 91 HA GLU A 6 0.289 5.307 1.976 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.798 7.547 2.578 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.715 6.015 1.248 1.00 0.00 H ATOM 94 N GLN A 7 -1.946 5.765 0.093 1.00 0.00 N ATOM 95 CA GLN A 7 -3.356 6.038 -0.158 1.00 0.00 C ATOM 96 C GLN A 7 -4.200 4.786 0.060 1.00 0.00 C ATOM 97 O GLN A 7 -3.899 3.722 -0.480 1.00 0.00 O ATOM 98 CB GLN A 7 -3.551 6.556 -1.584 1.00 0.00 C ATOM 99 CG GLN A 7 -2.680 7.756 -1.919 1.00 0.00 C ATOM 100 CD GLN A 7 -3.492 9.004 -2.207 1.00 0.00 C ATOM 101 OE1 GLN A 7 -3.420 9.989 -1.472 1.00 0.00 O ATOM 102 NE2 GLN A 7 -4.269 8.971 -3.283 1.00 0.00 N ATOM 103 H GLN A 7 -1.488 5.085 -0.443 1.00 0.00 H ATOM 104 HA GLN A 7 -3.677 6.798 0.538 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.585 6.843 -1.712 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.087 7.522 -2.791 1.00 0.00 H ATOM 107 HE21 GLN A 7 -4.277 8.152 -3.822 1.00 0.00 H ATOM 108 HE22 GLN A 7 -4.806 9.762 -3.492 1.00 0.00 H ATOM 109 N CYS A 8 -5.257 4.922 0.854 1.00 0.00 N ATOM 110 CA CYS A 8 -6.143 3.801 1.145 1.00 0.00 C ATOM 111 C CYS A 8 -7.361 3.818 0.226 1.00 0.00 C ATOM 112 O CYS A 8 -8.476 3.514 0.650 1.00 0.00 O ATOM 113 CB CYS A 8 -6.592 3.845 2.607 1.00 0.00 C ATOM 114 SG CYS A 8 -5.244 4.103 3.784 1.00 0.00 S ATOM 115 H CYS A 8 -5.445 5.796 1.255 1.00 0.00 H ATOM 116 HA CYS A 8 -5.591 2.889 0.973 1.00 0.00 H ATOM 117 HB3 CYS A 8 -7.072 2.911 2.855 1.00 0.00 H ATOM 118 HG CYS A 8 -5.139 5.404 4.005 1.00 0.00 H ATOM 119 N CYS A 9 -7.139 4.177 -1.033 1.00 0.00 N ATOM 120 CA CYS A 9 -8.218 4.237 -2.013 1.00 0.00 C ATOM 121 C CYS A 9 -7.950 3.288 -3.178 1.00 0.00 C ATOM 122 O CYS A 9 -8.878 2.757 -3.786 1.00 0.00 O ATOM 123 CB CYS A 9 -8.386 5.665 -2.531 1.00 0.00 C ATOM 124 SG CYS A 9 -9.602 6.644 -1.618 1.00 0.00 S ATOM 125 H CYS A 9 -6.228 4.407 -1.312 1.00 0.00 H ATOM 126 HA CYS A 9 -9.128 3.932 -1.520 1.00 0.00 H ATOM 127 HB3 CYS A 9 -8.700 5.631 -3.564 1.00 0.00 H ATOM 128 HG CYS A 9 -8.946 7.510 -0.861 1.00 0.00 H ATOM 129 N THR A 10 -6.672 3.082 -3.482 1.00 0.00 N ATOM 130 CA THR A 10 -6.280 2.201 -4.576 1.00 0.00 C ATOM 131 C THR A 10 -6.142 0.760 -4.098 1.00 0.00 C ATOM 132 O THR A 10 -6.508 0.434 -2.968 1.00 0.00 O ATOM 133 CB THR A 10 -4.950 2.650 -5.210 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.537 3.900 -4.648 1.00 0.00 O ATOM 135 CG2 THR A 10 -5.090 2.788 -6.719 1.00 0.00 C ATOM 136 H THR A 10 -5.977 3.535 -2.960 1.00 0.00 H ATOM 137 HA THR A 10 -7.049 2.246 -5.332 1.00 0.00 H ATOM 138 HB THR A 10 -4.199 1.903 -5.000 1.00 0.00 H ATOM 139 HG1 THR A 10 -4.078 3.742 -3.819 1.00 0.00 H ATOM 140 HG21 THR A 10 -5.995 2.299 -7.041 1.00 0.00 H ATOM 141 HG22 THR A 10 -4.240 2.328 -7.202 1.00 0.00 H ATOM 142 HG23 THR A 10 -5.131 3.834 -6.982 1.00 0.00 H ATOM 143 N SER A 11 -5.610 -0.097 -4.962 1.00 0.00 N ATOM 144 CA SER A 11 -5.426 -1.504 -4.630 1.00 0.00 C ATOM 145 C SER A 11 -4.234 -1.689 -3.696 1.00 0.00 C ATOM 146 O SER A 11 -3.213 -2.265 -4.081 1.00 0.00 O ATOM 147 CB SER A 11 -5.225 -2.329 -5.902 1.00 0.00 C ATOM 148 OG SER A 11 -5.988 -1.806 -6.976 1.00 0.00 O ATOM 149 H SER A 11 -5.338 0.225 -5.848 1.00 0.00 H ATOM 150 HA SER A 11 -6.318 -1.845 -4.127 1.00 0.00 H ATOM 151 HB3 SER A 11 -5.534 -3.348 -5.720 1.00 0.00 H ATOM 152 HG SER A 11 -5.428 -1.259 -7.530 1.00 0.00 H ATOM 153 N ILE A 12 -4.369 -1.199 -2.469 1.00 0.00 N ATOM 154 CA ILE A 12 -3.303 -1.312 -1.479 1.00 0.00 C ATOM 155 C ILE A 12 -3.376 -2.645 -0.743 1.00 0.00 C ATOM 156 O ILE A 12 -2.357 -3.179 -0.304 1.00 0.00 O ATOM 157 CB ILE A 12 -3.367 -0.167 -0.452 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.090 -0.137 0.390 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.592 -0.321 0.439 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.266 1.117 0.193 1.00 0.00 C ATOM 161 H ILE A 12 -5.205 -0.753 -2.222 1.00 0.00 H ATOM 162 HA ILE A 12 -2.359 -1.250 -1.999 1.00 0.00 H ATOM 163 HB ILE A 12 -3.458 0.765 -0.989 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.475 -0.985 0.127 1.00 0.00 H ATOM 165 HG21 ILE A 12 -4.531 -1.255 0.976 1.00 0.00 H ATOM 166 HG22 ILE A 12 -4.629 0.497 1.143 1.00 0.00 H ATOM 167 HG23 ILE A 12 -5.482 -0.313 -0.170 1.00 0.00 H ATOM 168 HD11 ILE A 12 -1.675 1.691 -0.626 1.00 0.00 H ATOM 169 HD12 ILE A 12 -1.290 1.709 1.095 1.00 0.00 H ATOM 170 HD13 ILE A 12 -0.246 0.845 -0.034 1.00 0.00 H ATOM 171 N CYS A 13 -4.585 -3.179 -0.614 1.00 0.00 N ATOM 172 CA CYS A 13 -4.791 -4.451 0.068 1.00 0.00 C ATOM 173 C CYS A 13 -3.871 -5.528 -0.499 1.00 0.00 C ATOM 174 O CYS A 13 -3.480 -6.459 0.205 1.00 0.00 O ATOM 175 CB CYS A 13 -6.250 -4.892 -0.060 1.00 0.00 C ATOM 176 SG CYS A 13 -6.740 -6.176 1.117 1.00 0.00 S ATOM 177 H CYS A 13 -5.360 -2.706 -0.987 1.00 0.00 H ATOM 178 HA CYS A 13 -4.557 -4.309 1.111 1.00 0.00 H ATOM 179 HB3 CYS A 13 -6.416 -5.276 -1.055 1.00 0.00 H ATOM 180 HG CYS A 13 -7.026 -7.271 0.430 1.00 0.00 H ATOM 181 N SER A 14 -3.529 -5.393 -1.776 1.00 0.00 N ATOM 182 CA SER A 14 -2.658 -6.356 -2.440 1.00 0.00 C ATOM 183 C SER A 14 -1.331 -6.489 -1.701 1.00 0.00 C ATOM 184 O SER A 14 -0.653 -7.513 -1.795 1.00 0.00 O ATOM 185 CB SER A 14 -2.408 -5.936 -3.890 1.00 0.00 C ATOM 186 OG SER A 14 -1.124 -5.356 -4.038 1.00 0.00 O ATOM 187 H SER A 14 -3.873 -4.628 -2.285 1.00 0.00 H ATOM 188 HA SER A 14 -3.157 -7.314 -2.434 1.00 0.00 H ATOM 189 HB3 SER A 14 -3.153 -5.212 -4.185 1.00 0.00 H ATOM 190 HG SER A 14 -0.965 -5.161 -4.964 1.00 0.00 H ATOM 191 N LEU A 15 -0.964 -5.445 -0.964 1.00 0.00 N ATOM 192 CA LEU A 15 0.282 -5.444 -0.207 1.00 0.00 C ATOM 193 C LEU A 15 0.012 -5.313 1.288 1.00 0.00 C ATOM 194 O LEU A 15 0.789 -5.792 2.115 1.00 0.00 O ATOM 195 CB LEU A 15 1.184 -4.299 -0.676 1.00 0.00 C ATOM 196 CG LEU A 15 0.900 -2.927 -0.063 1.00 0.00 C ATOM 197 CD1 LEU A 15 1.764 -2.702 1.167 1.00 0.00 C ATOM 198 CD2 LEU A 15 1.132 -1.828 -1.089 1.00 0.00 C ATOM 199 H LEU A 15 -1.546 -4.659 -0.927 1.00 0.00 H ATOM 200 HA LEU A 15 0.782 -6.383 -0.389 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.078 -4.213 -1.748 1.00 0.00 H ATOM 202 HG LEU A 15 -0.137 -2.886 0.245 1.00 0.00 H ATOM 203 HD11 LEU A 15 2.472 -3.512 1.263 1.00 0.00 H ATOM 204 HD12 LEU A 15 1.137 -2.666 2.046 1.00 0.00 H ATOM 205 HD13 LEU A 15 2.297 -1.768 1.067 1.00 0.00 H ATOM 206 HD21 LEU A 15 0.971 -0.865 -0.627 1.00 0.00 H ATOM 207 HD22 LEU A 15 0.442 -1.952 -1.911 1.00 0.00 H ATOM 208 HD23 LEU A 15 2.145 -1.888 -1.457 1.00 0.00 H ATOM 209 N TYR A 16 -1.097 -4.664 1.629 1.00 0.00 N ATOM 210 CA TYR A 16 -1.471 -4.471 3.025 1.00 0.00 C ATOM 211 C TYR A 16 -1.461 -5.797 3.781 1.00 0.00 C ATOM 212 O TYR A 16 -0.982 -5.875 4.911 1.00 0.00 O ATOM 213 CB TYR A 16 -2.855 -3.828 3.119 1.00 0.00 C ATOM 214 CG TYR A 16 -2.941 -2.724 4.148 1.00 0.00 C ATOM 215 CD1 TYR A 16 -2.334 -2.859 5.392 1.00 0.00 C ATOM 216 CD2 TYR A 16 -3.629 -1.548 3.880 1.00 0.00 C ATOM 217 CE1 TYR A 16 -2.410 -1.852 6.335 1.00 0.00 C ATOM 218 CE2 TYR A 16 -3.709 -0.536 4.817 1.00 0.00 C ATOM 219 CZ TYR A 16 -3.098 -0.693 6.044 1.00 0.00 C ATOM 220 OH TYR A 16 -3.178 0.311 6.981 1.00 0.00 O ATOM 221 H TYR A 16 -1.677 -4.305 0.926 1.00 0.00 H ATOM 222 HA TYR A 16 -0.745 -3.808 3.474 1.00 0.00 H ATOM 223 HB3 TYR A 16 -3.579 -4.585 3.384 1.00 0.00 H ATOM 224 HD1 TYR A 16 -1.796 -3.768 5.618 1.00 0.00 H ATOM 225 HD2 TYR A 16 -4.107 -1.428 2.918 1.00 0.00 H ATOM 226 HE1 TYR A 16 -1.933 -1.975 7.298 1.00 0.00 H ATOM 227 HE2 TYR A 16 -4.249 0.371 4.589 1.00 0.00 H ATOM 228 HH TYR A 16 -2.384 0.849 6.940 1.00 0.00 H ATOM 229 N GLN A 17 -1.992 -6.837 3.146 1.00 0.00 N ATOM 230 CA GLN A 17 -2.045 -8.160 3.755 1.00 0.00 C ATOM 231 C GLN A 17 -2.735 -8.103 5.116 1.00 0.00 C ATOM 232 O GLN A 17 -3.231 -9.115 5.613 1.00 0.00 O ATOM 233 CB GLN A 17 -0.635 -8.730 3.909 1.00 0.00 C ATOM 234 CG GLN A 17 -0.018 -9.190 2.599 1.00 0.00 C ATOM 235 CD GLN A 17 1.370 -9.770 2.778 1.00 0.00 C ATOM 236 OE1 GLN A 17 1.542 -10.987 2.855 1.00 0.00 O ATOM 237 NE2 GLN A 17 2.370 -8.900 2.845 1.00 0.00 N ATOM 238 H GLN A 17 -2.358 -6.710 2.245 1.00 0.00 H ATOM 239 HA GLN A 17 -2.615 -8.804 3.104 1.00 0.00 H ATOM 240 HB3 GLN A 17 -0.672 -9.575 4.581 1.00 0.00 H ATOM 241 HG3 GLN A 17 0.043 -8.346 1.929 1.00 0.00 H ATOM 242 HE21 GLN A 17 2.159 -7.945 2.777 1.00 0.00 H ATOM 243 HE22 GLN A 17 3.279 -9.246 2.961 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 13 ATOM 1 N LYS A 1 7.699 -2.008 5.090 1.00 0.00 N ATOM 2 CA LYS A 1 8.259 -0.837 4.424 1.00 0.00 C ATOM 3 C LYS A 1 7.423 -0.450 3.210 1.00 0.00 C ATOM 4 O LYS A 1 7.502 -1.088 2.160 1.00 0.00 O ATOM 5 CB LYS A 1 9.702 -1.112 3.996 1.00 0.00 C ATOM 6 CG LYS A 1 10.571 0.134 3.951 1.00 0.00 C ATOM 7 CD LYS A 1 11.848 -0.048 4.753 1.00 0.00 C ATOM 8 CE LYS A 1 12.782 1.143 4.592 1.00 0.00 C ATOM 9 NZ LYS A 1 13.561 1.408 5.833 1.00 0.00 N ATOM 10 H1 LYS A 1 8.296 -2.740 5.352 1.00 0.00 H ATOM 11 HA LYS A 1 8.251 -0.020 5.128 1.00 0.00 H ATOM 12 HB3 LYS A 1 9.694 -1.555 3.010 1.00 0.00 H ATOM 13 HG3 LYS A 1 10.013 0.964 4.361 1.00 0.00 H ATOM 14 HD3 LYS A 1 12.355 -0.939 4.409 1.00 0.00 H ATOM 15 HE3 LYS A 1 12.192 2.016 4.354 1.00 0.00 H ATOM 16 HZ1 LYS A 1 13.015 2.018 6.475 1.00 0.00 H ATOM 17 HZ2 LYS A 1 14.457 1.882 5.598 1.00 0.00 H ATOM 18 HZ3 LYS A 1 13.772 0.514 6.320 1.00 0.00 H ATOM 19 N ARG A 2 6.622 0.600 3.360 1.00 0.00 N ATOM 20 CA ARG A 2 5.770 1.074 2.274 1.00 0.00 C ATOM 21 C ARG A 2 6.327 2.359 1.668 1.00 0.00 C ATOM 22 O ARG A 2 7.452 2.760 1.963 1.00 0.00 O ATOM 23 CB ARG A 2 4.347 1.311 2.782 1.00 0.00 C ATOM 24 CG ARG A 2 3.756 0.120 3.518 1.00 0.00 C ATOM 25 CD ARG A 2 4.094 0.158 4.999 1.00 0.00 C ATOM 26 NE ARG A 2 2.953 0.573 5.810 1.00 0.00 N ATOM 27 CZ ARG A 2 1.973 -0.247 6.176 1.00 0.00 C ATOM 28 NH1 ARG A 2 1.996 -1.519 5.806 1.00 0.00 N ATOM 29 NH2 ARG A 2 0.968 0.207 6.914 1.00 0.00 N ATOM 30 H ARG A 2 6.603 1.069 4.221 1.00 0.00 H ATOM 31 HA ARG A 2 5.750 0.309 1.512 1.00 0.00 H ATOM 32 HB3 ARG A 2 3.712 1.536 1.938 1.00 0.00 H ATOM 33 HG3 ARG A 2 4.153 -0.790 3.089 1.00 0.00 H ATOM 34 HD3 ARG A 2 4.905 0.853 5.152 1.00 0.00 H ATOM 35 HE ARG A 2 2.916 1.510 6.095 1.00 0.00 H ATOM 36 HH11 ARG A 2 2.753 -1.863 5.249 1.00 0.00 H ATOM 37 HH12 ARG A 2 1.259 -2.134 6.082 1.00 0.00 H ATOM 38 HH21 ARG A 2 0.947 1.165 7.196 1.00 0.00 H ATOM 39 HH22 ARG A 2 0.232 -0.412 7.189 1.00 0.00 H ATOM 40 N GLY A 3 5.530 2.998 0.816 1.00 0.00 N ATOM 41 CA GLY A 3 5.960 4.230 0.181 1.00 0.00 C ATOM 42 C GLY A 3 5.792 4.195 -1.324 1.00 0.00 C ATOM 43 O GLY A 3 6.697 4.580 -2.065 1.00 0.00 O ATOM 44 H GLY A 3 4.643 2.630 0.619 1.00 0.00 H ATOM 45 HA2 GLY A 3 5.379 5.050 0.579 1.00 0.00 H ATOM 46 HA3 GLY A 3 7.003 4.396 0.412 1.00 0.00 H ATOM 47 N ILE A 4 4.632 3.732 -1.778 1.00 0.00 N ATOM 48 CA ILE A 4 4.350 3.646 -3.206 1.00 0.00 C ATOM 49 C ILE A 4 3.113 4.461 -3.571 1.00 0.00 C ATOM 50 O ILE A 4 2.971 4.920 -4.703 1.00 0.00 O ATOM 51 CB ILE A 4 4.142 2.189 -3.653 1.00 0.00 C ATOM 52 CG1 ILE A 4 3.678 1.332 -2.473 1.00 0.00 C ATOM 53 CG2 ILE A 4 5.425 1.629 -4.251 1.00 0.00 C ATOM 54 CD1 ILE A 4 2.305 1.700 -1.961 1.00 0.00 C ATOM 55 H ILE A 4 3.951 3.440 -1.138 1.00 0.00 H ATOM 56 HA ILE A 4 5.201 4.047 -3.737 1.00 0.00 H ATOM 57 HB ILE A 4 3.381 2.175 -4.418 1.00 0.00 H ATOM 58 HG13 ILE A 4 4.379 1.446 -1.658 1.00 0.00 H ATOM 59 HG21 ILE A 4 5.674 2.178 -5.146 1.00 0.00 H ATOM 60 HG22 ILE A 4 6.227 1.728 -3.535 1.00 0.00 H ATOM 61 HG23 ILE A 4 5.284 0.587 -4.494 1.00 0.00 H ATOM 62 HD11 ILE A 4 2.403 2.310 -1.075 1.00 0.00 H ATOM 63 HD12 ILE A 4 1.773 2.253 -2.721 1.00 0.00 H ATOM 64 HD13 ILE A 4 1.757 0.802 -1.719 1.00 0.00 H ATOM 65 N VAL A 5 2.220 4.637 -2.601 1.00 0.00 N ATOM 66 CA VAL A 5 0.996 5.397 -2.818 1.00 0.00 C ATOM 67 C VAL A 5 0.534 6.075 -1.534 1.00 0.00 C ATOM 68 O VAL A 5 0.110 7.230 -1.549 1.00 0.00 O ATOM 69 CB VAL A 5 -0.138 4.498 -3.346 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.393 5.317 -3.606 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.304 3.769 -4.606 1.00 0.00 C ATOM 72 H VAL A 5 2.390 4.246 -1.718 1.00 0.00 H ATOM 73 HA VAL A 5 1.201 6.155 -3.561 1.00 0.00 H ATOM 74 HB VAL A 5 -0.366 3.760 -2.591 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.225 5.975 -4.446 1.00 0.00 H ATOM 76 HG12 VAL A 5 -2.217 4.654 -3.824 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.626 5.904 -2.729 1.00 0.00 H ATOM 78 HG21 VAL A 5 -0.507 3.155 -4.969 1.00 0.00 H ATOM 79 HG22 VAL A 5 0.575 4.491 -5.362 1.00 0.00 H ATOM 80 HG23 VAL A 5 1.157 3.146 -4.383 1.00 0.00 H ATOM 81 N GLU A 6 0.624 5.350 -0.423 1.00 0.00 N ATOM 82 CA GLU A 6 0.215 5.883 0.871 1.00 0.00 C ATOM 83 C GLU A 6 -1.285 6.162 0.896 1.00 0.00 C ATOM 84 O GLU A 6 -1.776 6.895 1.753 1.00 0.00 O ATOM 85 CB GLU A 6 0.988 7.164 1.188 1.00 0.00 C ATOM 86 CG GLU A 6 2.480 7.058 0.917 1.00 0.00 C ATOM 87 CD GLU A 6 3.318 7.678 2.018 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.455 7.047 3.086 1.00 0.00 O ATOM 89 OE2 GLU A 6 3.838 8.795 1.809 1.00 0.00 O ATOM 90 H GLU A 6 0.971 4.436 -0.476 1.00 0.00 H ATOM 91 HA GLU A 6 0.443 5.142 1.622 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.850 7.405 2.231 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.702 7.562 -0.013 1.00 0.00 H ATOM 94 N GLN A 7 -2.006 5.572 -0.052 1.00 0.00 N ATOM 95 CA GLN A 7 -3.450 5.759 -0.140 1.00 0.00 C ATOM 96 C GLN A 7 -4.179 4.426 -0.017 1.00 0.00 C ATOM 97 O GLN A 7 -3.800 3.439 -0.649 1.00 0.00 O ATOM 98 CB GLN A 7 -3.818 6.435 -1.462 1.00 0.00 C ATOM 99 CG GLN A 7 -3.106 7.760 -1.686 1.00 0.00 C ATOM 100 CD GLN A 7 -2.966 8.105 -3.156 1.00 0.00 C ATOM 101 OE1 GLN A 7 -1.898 8.515 -3.610 1.00 0.00 O ATOM 102 NE2 GLN A 7 -4.048 7.942 -3.909 1.00 0.00 N ATOM 103 H GLN A 7 -1.558 4.999 -0.707 1.00 0.00 H ATOM 104 HA GLN A 7 -3.752 6.398 0.676 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.883 6.617 -1.475 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.121 7.703 -1.248 1.00 0.00 H ATOM 107 HE21 GLN A 7 -4.866 7.612 -3.478 1.00 0.00 H ATOM 108 HE22 GLN A 7 -3.985 8.157 -4.862 1.00 0.00 H ATOM 109 N CYS A 8 -5.227 4.403 0.799 1.00 0.00 N ATOM 110 CA CYS A 8 -6.009 3.189 1.006 1.00 0.00 C ATOM 111 C CYS A 8 -7.278 3.210 0.161 1.00 0.00 C ATOM 112 O CYS A 8 -8.306 2.652 0.550 1.00 0.00 O ATOM 113 CB CYS A 8 -6.369 3.035 2.485 1.00 0.00 C ATOM 114 SG CYS A 8 -7.324 4.415 3.159 1.00 0.00 S ATOM 115 H CYS A 8 -5.480 5.222 1.275 1.00 0.00 H ATOM 116 HA CYS A 8 -5.403 2.350 0.703 1.00 0.00 H ATOM 117 HB3 CYS A 8 -5.460 2.950 3.061 1.00 0.00 H ATOM 118 HG CYS A 8 -8.598 4.053 3.191 1.00 0.00 H ATOM 119 N CYS A 9 -7.202 3.858 -0.997 1.00 0.00 N ATOM 120 CA CYS A 9 -8.345 3.955 -1.897 1.00 0.00 C ATOM 121 C CYS A 9 -8.038 3.298 -3.238 1.00 0.00 C ATOM 122 O CYS A 9 -8.939 2.822 -3.930 1.00 0.00 O ATOM 123 CB CYS A 9 -8.732 5.419 -2.109 1.00 0.00 C ATOM 124 SG CYS A 9 -10.033 6.006 -0.999 1.00 0.00 S ATOM 125 H CYS A 9 -6.356 4.284 -1.252 1.00 0.00 H ATOM 126 HA CYS A 9 -9.173 3.435 -1.436 1.00 0.00 H ATOM 127 HB3 CYS A 9 -9.081 5.548 -3.123 1.00 0.00 H ATOM 128 HG CYS A 9 -9.466 6.365 0.143 1.00 0.00 H ATOM 129 N THR A 10 -6.759 3.277 -3.601 1.00 0.00 N ATOM 130 CA THR A 10 -6.333 2.680 -4.862 1.00 0.00 C ATOM 131 C THR A 10 -6.317 1.159 -4.772 1.00 0.00 C ATOM 132 O THR A 10 -7.194 0.487 -5.315 1.00 0.00 O ATOM 133 CB THR A 10 -4.933 3.175 -5.271 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.032 3.068 -4.161 1.00 0.00 O ATOM 135 CG2 THR A 10 -4.985 4.617 -5.750 1.00 0.00 C ATOM 136 H THR A 10 -6.088 3.672 -3.008 1.00 0.00 H ATOM 137 HA THR A 10 -7.034 2.981 -5.627 1.00 0.00 H ATOM 138 HB THR A 10 -4.570 2.555 -6.078 1.00 0.00 H ATOM 139 HG1 THR A 10 -3.156 2.840 -4.483 1.00 0.00 H ATOM 140 HG21 THR A 10 -5.712 4.705 -6.543 1.00 0.00 H ATOM 141 HG22 THR A 10 -4.014 4.910 -6.120 1.00 0.00 H ATOM 142 HG23 THR A 10 -5.268 5.259 -4.930 1.00 0.00 H ATOM 143 N SER A 11 -5.314 0.622 -4.086 1.00 0.00 N ATOM 144 CA SER A 11 -5.183 -0.822 -3.930 1.00 0.00 C ATOM 145 C SER A 11 -4.131 -1.161 -2.878 1.00 0.00 C ATOM 146 O SER A 11 -3.280 -2.026 -3.091 1.00 0.00 O ATOM 147 CB SER A 11 -4.813 -1.470 -5.265 1.00 0.00 C ATOM 148 OG SER A 11 -5.962 -1.668 -6.071 1.00 0.00 O ATOM 149 H SER A 11 -4.646 1.210 -3.676 1.00 0.00 H ATOM 150 HA SER A 11 -6.137 -1.209 -3.602 1.00 0.00 H ATOM 151 HB3 SER A 11 -4.348 -2.428 -5.080 1.00 0.00 H ATOM 152 HG SER A 11 -5.898 -2.516 -6.516 1.00 0.00 H ATOM 153 N ILE A 12 -4.194 -0.473 -1.743 1.00 0.00 N ATOM 154 CA ILE A 12 -3.248 -0.701 -0.657 1.00 0.00 C ATOM 155 C ILE A 12 -3.181 -2.179 -0.287 1.00 0.00 C ATOM 156 O ILE A 12 -2.152 -2.666 0.181 1.00 0.00 O ATOM 157 CB ILE A 12 -3.620 0.115 0.594 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.425 0.203 1.545 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.816 -0.510 1.297 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.983 1.622 1.830 1.00 0.00 C ATOM 161 H ILE A 12 -4.894 0.203 -1.632 1.00 0.00 H ATOM 162 HA ILE A 12 -2.272 -0.382 -0.995 1.00 0.00 H ATOM 163 HB ILE A 12 -3.896 1.109 0.280 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.588 -0.323 1.110 1.00 0.00 H ATOM 165 HG21 ILE A 12 -4.539 -1.477 1.691 1.00 0.00 H ATOM 166 HG22 ILE A 12 -5.131 0.131 2.107 1.00 0.00 H ATOM 167 HG23 ILE A 12 -5.627 -0.626 0.593 1.00 0.00 H ATOM 168 HD11 ILE A 12 -1.138 1.609 2.503 1.00 0.00 H ATOM 169 HD12 ILE A 12 -1.699 2.104 0.906 1.00 0.00 H ATOM 170 HD13 ILE A 12 -2.796 2.168 2.287 1.00 0.00 H ATOM 171 N CYS A 13 -4.285 -2.887 -0.502 1.00 0.00 N ATOM 172 CA CYS A 13 -4.353 -4.310 -0.191 1.00 0.00 C ATOM 173 C CYS A 13 -3.212 -5.068 -0.862 1.00 0.00 C ATOM 174 O CYS A 13 -2.767 -6.104 -0.369 1.00 0.00 O ATOM 175 CB CYS A 13 -5.697 -4.888 -0.639 1.00 0.00 C ATOM 176 SG CYS A 13 -7.016 -4.723 0.588 1.00 0.00 S ATOM 177 H CYS A 13 -5.073 -2.442 -0.878 1.00 0.00 H ATOM 178 HA CYS A 13 -4.261 -4.420 0.878 1.00 0.00 H ATOM 179 HB3 CYS A 13 -5.575 -5.939 -0.854 1.00 0.00 H ATOM 180 HG CYS A 13 -6.790 -3.619 1.283 1.00 0.00 H ATOM 181 N SER A 14 -2.743 -4.544 -1.991 1.00 0.00 N ATOM 182 CA SER A 14 -1.658 -5.175 -2.732 1.00 0.00 C ATOM 183 C SER A 14 -0.417 -5.325 -1.858 1.00 0.00 C ATOM 184 O SER A 14 0.434 -6.179 -2.106 1.00 0.00 O ATOM 185 CB SER A 14 -1.320 -4.353 -3.979 1.00 0.00 C ATOM 186 OG SER A 14 -0.159 -3.568 -3.774 1.00 0.00 O ATOM 187 H SER A 14 -3.139 -3.716 -2.333 1.00 0.00 H ATOM 188 HA SER A 14 -1.990 -6.156 -3.036 1.00 0.00 H ATOM 189 HB3 SER A 14 -2.147 -3.699 -4.211 1.00 0.00 H ATOM 190 HG SER A 14 0.608 -4.037 -4.110 1.00 0.00 H ATOM 191 N LEU A 15 -0.321 -4.487 -0.831 1.00 0.00 N ATOM 192 CA LEU A 15 0.815 -4.524 0.083 1.00 0.00 C ATOM 193 C LEU A 15 0.363 -4.847 1.503 1.00 0.00 C ATOM 194 O LEU A 15 1.113 -5.428 2.288 1.00 0.00 O ATOM 195 CB LEU A 15 1.555 -3.185 0.064 1.00 0.00 C ATOM 196 CG LEU A 15 0.974 -2.084 0.954 1.00 0.00 C ATOM 197 CD1 LEU A 15 1.642 -2.094 2.320 1.00 0.00 C ATOM 198 CD2 LEU A 15 1.132 -0.725 0.291 1.00 0.00 C ATOM 199 H LEU A 15 -1.030 -3.827 -0.683 1.00 0.00 H ATOM 200 HA LEU A 15 1.487 -5.301 -0.253 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.555 -2.823 -0.954 1.00 0.00 H ATOM 202 HG LEU A 15 -0.082 -2.268 1.097 1.00 0.00 H ATOM 203 HD11 LEU A 15 1.369 -2.996 2.847 1.00 0.00 H ATOM 204 HD12 LEU A 15 1.318 -1.234 2.886 1.00 0.00 H ATOM 205 HD13 LEU A 15 2.714 -2.061 2.197 1.00 0.00 H ATOM 206 HD21 LEU A 15 0.239 -0.491 -0.268 1.00 0.00 H ATOM 207 HD22 LEU A 15 1.980 -0.747 -0.377 1.00 0.00 H ATOM 208 HD23 LEU A 15 1.291 0.029 1.050 1.00 0.00 H ATOM 209 N TYR A 16 -0.869 -4.470 1.826 1.00 0.00 N ATOM 210 CA TYR A 16 -1.424 -4.720 3.151 1.00 0.00 C ATOM 211 C TYR A 16 -1.298 -6.193 3.525 1.00 0.00 C ATOM 212 O TYR A 16 -1.103 -6.534 4.691 1.00 0.00 O ATOM 213 CB TYR A 16 -2.891 -4.292 3.201 1.00 0.00 C ATOM 214 CG TYR A 16 -3.261 -3.549 4.465 1.00 0.00 C ATOM 215 CD1 TYR A 16 -3.239 -4.183 5.702 1.00 0.00 C ATOM 216 CD2 TYR A 16 -3.634 -2.210 4.423 1.00 0.00 C ATOM 217 CE1 TYR A 16 -3.578 -3.508 6.857 1.00 0.00 C ATOM 218 CE2 TYR A 16 -3.972 -1.526 5.573 1.00 0.00 C ATOM 219 CZ TYR A 16 -3.943 -2.178 6.789 1.00 0.00 C ATOM 220 OH TYR A 16 -4.280 -1.501 7.939 1.00 0.00 O ATOM 221 H TYR A 16 -1.419 -4.011 1.156 1.00 0.00 H ATOM 222 HA TYR A 16 -0.863 -4.131 3.861 1.00 0.00 H ATOM 223 HB3 TYR A 16 -3.517 -5.170 3.138 1.00 0.00 H ATOM 224 HD1 TYR A 16 -2.951 -5.224 5.751 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.655 -1.702 3.470 1.00 0.00 H ATOM 226 HE1 TYR A 16 -3.555 -4.018 7.809 1.00 0.00 H ATOM 227 HE2 TYR A 16 -4.258 -0.485 5.522 1.00 0.00 H ATOM 228 HH TYR A 16 -3.978 -2.000 8.703 1.00 0.00 H ATOM 229 N GLN A 17 -1.410 -7.063 2.526 1.00 0.00 N ATOM 230 CA GLN A 17 -1.310 -8.500 2.748 1.00 0.00 C ATOM 231 C GLN A 17 -2.329 -8.963 3.783 1.00 0.00 C ATOM 232 O GLN A 17 -3.304 -8.264 4.066 1.00 0.00 O ATOM 233 CB GLN A 17 0.102 -8.869 3.207 1.00 0.00 C ATOM 234 CG GLN A 17 1.114 -8.931 2.073 1.00 0.00 C ATOM 235 CD GLN A 17 2.390 -9.646 2.468 1.00 0.00 C ATOM 236 OE1 GLN A 17 3.203 -9.115 3.225 1.00 0.00 O ATOM 237 NE2 GLN A 17 2.573 -10.858 1.957 1.00 0.00 N ATOM 238 H GLN A 17 -1.565 -6.730 1.617 1.00 0.00 H ATOM 239 HA GLN A 17 -1.515 -8.996 1.813 1.00 0.00 H ATOM 240 HB3 GLN A 17 0.072 -9.836 3.686 1.00 0.00 H ATOM 241 HG3 GLN A 17 1.360 -7.924 1.773 1.00 0.00 H ATOM 242 HE21 GLN A 17 1.882 -11.217 1.361 1.00 0.00 H ATOM 243 HE22 GLN A 17 3.390 -11.342 2.195 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 14 ATOM 1 N LYS A 1 7.556 -4.017 1.994 1.00 0.00 N ATOM 2 CA LYS A 1 7.793 -2.601 2.247 1.00 0.00 C ATOM 3 C LYS A 1 6.593 -1.764 1.818 1.00 0.00 C ATOM 4 O LYS A 1 5.657 -2.273 1.201 1.00 0.00 O ATOM 5 CB LYS A 1 9.046 -2.132 1.504 1.00 0.00 C ATOM 6 CG LYS A 1 10.057 -1.434 2.398 1.00 0.00 C ATOM 7 CD LYS A 1 11.171 -2.377 2.822 1.00 0.00 C ATOM 8 CE LYS A 1 12.430 -2.158 1.997 1.00 0.00 C ATOM 9 NZ LYS A 1 13.336 -3.339 2.043 1.00 0.00 N ATOM 10 H1 LYS A 1 7.450 -4.327 1.070 1.00 0.00 H ATOM 11 HA LYS A 1 7.945 -2.474 3.308 1.00 0.00 H ATOM 12 HB3 LYS A 1 8.752 -1.445 0.724 1.00 0.00 H ATOM 13 HG3 LYS A 1 9.551 -1.068 3.280 1.00 0.00 H ATOM 14 HD3 LYS A 1 10.837 -3.397 2.691 1.00 0.00 H ATOM 15 HE3 LYS A 1 12.954 -1.297 2.384 1.00 0.00 H ATOM 16 HZ1 LYS A 1 13.997 -3.250 2.840 1.00 0.00 H ATOM 17 HZ2 LYS A 1 13.881 -3.407 1.159 1.00 0.00 H ATOM 18 HZ3 LYS A 1 12.782 -4.211 2.162 1.00 0.00 H ATOM 19 N ARG A 2 6.626 -0.476 2.148 1.00 0.00 N ATOM 20 CA ARG A 2 5.541 0.431 1.796 1.00 0.00 C ATOM 21 C ARG A 2 6.082 1.804 1.410 1.00 0.00 C ATOM 22 O ARG A 2 7.294 2.003 1.327 1.00 0.00 O ATOM 23 CB ARG A 2 4.562 0.568 2.966 1.00 0.00 C ATOM 24 CG ARG A 2 5.228 0.970 4.271 1.00 0.00 C ATOM 25 CD ARG A 2 5.734 -0.241 5.036 1.00 0.00 C ATOM 26 NE ARG A 2 4.872 -0.577 6.166 1.00 0.00 N ATOM 27 CZ ARG A 2 4.928 0.040 7.341 1.00 0.00 C ATOM 28 NH1 ARG A 2 5.801 1.017 7.540 1.00 0.00 N ATOM 29 NH2 ARG A 2 4.110 -0.322 8.321 1.00 0.00 N ATOM 30 H ARG A 2 7.399 -0.130 2.640 1.00 0.00 H ATOM 31 HA ARG A 2 5.018 0.011 0.949 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.067 -0.379 3.116 1.00 0.00 H ATOM 33 HG3 ARG A 2 4.509 1.497 4.883 1.00 0.00 H ATOM 34 HD3 ARG A 2 6.727 -0.029 5.404 1.00 0.00 H ATOM 35 HE ARG A 2 4.219 -1.297 6.040 1.00 0.00 H ATOM 36 HH11 ARG A 2 6.417 1.293 6.804 1.00 0.00 H ATOM 37 HH12 ARG A 2 5.840 1.481 8.425 1.00 0.00 H ATOM 38 HH21 ARG A 2 3.450 -1.059 8.175 1.00 0.00 H ATOM 39 HH22 ARG A 2 4.151 0.141 9.205 1.00 0.00 H ATOM 40 N GLY A 3 5.177 2.748 1.175 1.00 0.00 N ATOM 41 CA GLY A 3 5.584 4.089 0.800 1.00 0.00 C ATOM 42 C GLY A 3 5.667 4.271 -0.703 1.00 0.00 C ATOM 43 O GLY A 3 6.655 4.794 -1.217 1.00 0.00 O ATOM 44 H GLY A 3 4.225 2.532 1.257 1.00 0.00 H ATOM 45 HA2 GLY A 3 4.872 4.795 1.199 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.555 4.292 1.229 1.00 0.00 H ATOM 47 N ILE A 4 4.626 3.840 -1.407 1.00 0.00 N ATOM 48 CA ILE A 4 4.585 3.957 -2.859 1.00 0.00 C ATOM 49 C ILE A 4 3.376 4.769 -3.311 1.00 0.00 C ATOM 50 O ILE A 4 3.389 5.384 -4.377 1.00 0.00 O ATOM 51 CB ILE A 4 4.544 2.574 -3.535 1.00 0.00 C ATOM 52 CG1 ILE A 4 3.957 1.532 -2.579 1.00 0.00 C ATOM 53 CG2 ILE A 4 5.937 2.163 -3.986 1.00 0.00 C ATOM 54 CD1 ILE A 4 2.499 1.764 -2.253 1.00 0.00 C ATOM 55 H ILE A 4 3.867 3.433 -0.938 1.00 0.00 H ATOM 56 HA ILE A 4 5.484 4.464 -3.178 1.00 0.00 H ATOM 57 HB ILE A 4 3.915 2.644 -4.409 1.00 0.00 H ATOM 58 HG13 ILE A 4 4.514 1.554 -1.653 1.00 0.00 H ATOM 59 HG21 ILE A 4 5.960 1.097 -4.161 1.00 0.00 H ATOM 60 HG22 ILE A 4 6.187 2.683 -4.899 1.00 0.00 H ATOM 61 HG23 ILE A 4 6.653 2.417 -3.220 1.00 0.00 H ATOM 62 HD11 ILE A 4 2.062 2.411 -3.000 1.00 0.00 H ATOM 63 HD12 ILE A 4 1.977 0.819 -2.249 1.00 0.00 H ATOM 64 HD13 ILE A 4 2.416 2.227 -1.282 1.00 0.00 H ATOM 65 N VAL A 5 2.328 4.767 -2.491 1.00 0.00 N ATOM 66 CA VAL A 5 1.111 5.505 -2.805 1.00 0.00 C ATOM 67 C VAL A 5 0.579 6.233 -1.577 1.00 0.00 C ATOM 68 O VAL A 5 0.131 7.376 -1.667 1.00 0.00 O ATOM 69 CB VAL A 5 0.013 4.570 -3.350 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.235 5.364 -3.708 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.524 3.793 -4.553 1.00 0.00 C ATOM 72 H VAL A 5 2.377 4.257 -1.655 1.00 0.00 H ATOM 73 HA VAL A 5 1.347 6.231 -3.569 1.00 0.00 H ATOM 74 HB VAL A 5 -0.247 3.864 -2.575 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.028 5.992 -4.562 1.00 0.00 H ATOM 76 HG12 VAL A 5 -2.039 4.684 -3.945 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.522 5.982 -2.869 1.00 0.00 H ATOM 78 HG21 VAL A 5 -0.156 3.922 -5.381 1.00 0.00 H ATOM 79 HG22 VAL A 5 1.501 4.160 -4.828 1.00 0.00 H ATOM 80 HG23 VAL A 5 0.591 2.745 -4.302 1.00 0.00 H ATOM 81 N GLU A 6 0.632 5.565 -0.429 1.00 0.00 N ATOM 82 CA GLU A 6 0.153 6.151 0.818 1.00 0.00 C ATOM 83 C GLU A 6 -1.352 6.397 0.762 1.00 0.00 C ATOM 84 O GLU A 6 -1.895 7.156 1.565 1.00 0.00 O ATOM 85 CB GLU A 6 0.887 7.464 1.104 1.00 0.00 C ATOM 86 CG GLU A 6 2.389 7.381 0.894 1.00 0.00 C ATOM 87 CD GLU A 6 3.099 8.675 1.243 1.00 0.00 C ATOM 88 OE1 GLU A 6 2.750 9.282 2.277 1.00 0.00 O ATOM 89 OE2 GLU A 6 4.004 9.079 0.482 1.00 0.00 O ATOM 90 H GLU A 6 1.000 4.658 -0.421 1.00 0.00 H ATOM 91 HA GLU A 6 0.363 5.453 1.614 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.703 7.748 2.130 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.583 7.149 -0.143 1.00 0.00 H ATOM 94 N GLN A 7 -2.016 5.752 -0.191 1.00 0.00 N ATOM 95 CA GLN A 7 -3.457 5.902 -0.352 1.00 0.00 C ATOM 96 C GLN A 7 -4.164 4.559 -0.203 1.00 0.00 C ATOM 97 O GLN A 7 -3.791 3.576 -0.846 1.00 0.00 O ATOM 98 CB GLN A 7 -3.777 6.513 -1.717 1.00 0.00 C ATOM 99 CG GLN A 7 -3.085 7.843 -1.967 1.00 0.00 C ATOM 100 CD GLN A 7 -2.889 8.131 -3.442 1.00 0.00 C ATOM 101 OE1 GLN A 7 -1.789 8.475 -3.879 1.00 0.00 O ATOM 102 NE2 GLN A 7 -3.956 7.991 -4.220 1.00 0.00 N ATOM 103 H GLN A 7 -1.525 5.162 -0.800 1.00 0.00 H ATOM 104 HA GLN A 7 -3.809 6.568 0.421 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.844 6.669 -1.786 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.117 7.826 -1.487 1.00 0.00 H ATOM 107 HE21 GLN A 7 -4.799 7.714 -3.802 1.00 0.00 H ATOM 108 HE22 GLN A 7 -3.858 8.171 -5.177 1.00 0.00 H ATOM 109 N CYS A 8 -5.185 4.524 0.646 1.00 0.00 N ATOM 110 CA CYS A 8 -5.943 3.300 0.879 1.00 0.00 C ATOM 111 C CYS A 8 -7.248 3.311 0.091 1.00 0.00 C ATOM 112 O CYS A 8 -8.281 2.845 0.573 1.00 0.00 O ATOM 113 CB CYS A 8 -6.236 3.135 2.372 1.00 0.00 C ATOM 114 SG CYS A 8 -7.298 4.424 3.062 1.00 0.00 S ATOM 115 H CYS A 8 -5.433 5.340 1.128 1.00 0.00 H ATOM 116 HA CYS A 8 -5.340 2.469 0.544 1.00 0.00 H ATOM 117 HB3 CYS A 8 -5.305 3.146 2.916 1.00 0.00 H ATOM 118 HG CYS A 8 -6.674 5.584 2.928 1.00 0.00 H ATOM 119 N CYS A 9 -7.194 3.846 -1.125 1.00 0.00 N ATOM 120 CA CYS A 9 -8.373 3.920 -1.980 1.00 0.00 C ATOM 121 C CYS A 9 -8.148 3.157 -3.283 1.00 0.00 C ATOM 122 O CYS A 9 -9.087 2.623 -3.873 1.00 0.00 O ATOM 123 CB CYS A 9 -8.719 5.379 -2.283 1.00 0.00 C ATOM 124 SG CYS A 9 -9.968 6.084 -1.183 1.00 0.00 S ATOM 125 H CYS A 9 -6.342 4.201 -1.454 1.00 0.00 H ATOM 126 HA CYS A 9 -9.196 3.466 -1.450 1.00 0.00 H ATOM 127 HB3 CYS A 9 -9.091 5.451 -3.294 1.00 0.00 H ATOM 128 HG CYS A 9 -10.940 6.581 -1.933 1.00 0.00 H ATOM 129 N THR A 10 -6.895 3.112 -3.727 1.00 0.00 N ATOM 130 CA THR A 10 -6.547 2.418 -4.960 1.00 0.00 C ATOM 131 C THR A 10 -6.527 0.909 -4.754 1.00 0.00 C ATOM 132 O THR A 10 -7.436 0.200 -5.189 1.00 0.00 O ATOM 133 CB THR A 10 -5.173 2.870 -5.490 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.204 2.829 -4.437 1.00 0.00 O ATOM 135 CG2 THR A 10 -5.251 4.279 -6.059 1.00 0.00 C ATOM 136 H THR A 10 -6.190 3.557 -3.212 1.00 0.00 H ATOM 137 HA THR A 10 -7.294 2.661 -5.702 1.00 0.00 H ATOM 138 HB THR A 10 -4.868 2.197 -6.278 1.00 0.00 H ATOM 139 HG1 THR A 10 -3.412 2.385 -4.749 1.00 0.00 H ATOM 140 HG21 THR A 10 -5.762 4.923 -5.358 1.00 0.00 H ATOM 141 HG22 THR A 10 -5.794 4.261 -6.993 1.00 0.00 H ATOM 142 HG23 THR A 10 -4.252 4.655 -6.230 1.00 0.00 H ATOM 143 N SER A 11 -5.486 0.419 -4.087 1.00 0.00 N ATOM 144 CA SER A 11 -5.345 -1.008 -3.828 1.00 0.00 C ATOM 145 C SER A 11 -4.230 -1.270 -2.820 1.00 0.00 C ATOM 146 O SER A 11 -3.374 -2.130 -3.035 1.00 0.00 O ATOM 147 CB SER A 11 -5.060 -1.760 -5.129 1.00 0.00 C ATOM 148 OG SER A 11 -6.257 -2.018 -5.842 1.00 0.00 O ATOM 149 H SER A 11 -4.793 1.035 -3.767 1.00 0.00 H ATOM 150 HA SER A 11 -6.278 -1.362 -3.414 1.00 0.00 H ATOM 151 HB3 SER A 11 -4.582 -2.702 -4.899 1.00 0.00 H ATOM 152 HG SER A 11 -6.756 -2.705 -5.393 1.00 0.00 H ATOM 153 N ILE A 12 -4.245 -0.522 -1.722 1.00 0.00 N ATOM 154 CA ILE A 12 -3.236 -0.674 -0.681 1.00 0.00 C ATOM 155 C ILE A 12 -3.111 -2.129 -0.246 1.00 0.00 C ATOM 156 O ILE A 12 -2.041 -2.571 0.179 1.00 0.00 O ATOM 157 CB ILE A 12 -3.562 0.193 0.549 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.329 0.332 1.444 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.724 -0.409 1.328 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.889 1.764 1.651 1.00 0.00 C ATOM 161 H ILE A 12 -4.952 0.146 -1.610 1.00 0.00 H ATOM 162 HA ILE A 12 -2.288 -0.347 -1.085 1.00 0.00 H ATOM 163 HB ILE A 12 -3.859 1.172 0.204 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.506 -0.207 0.996 1.00 0.00 H ATOM 165 HG21 ILE A 12 -5.559 -0.564 0.662 1.00 0.00 H ATOM 166 HG22 ILE A 12 -4.420 -1.354 1.752 1.00 0.00 H ATOM 167 HG23 ILE A 12 -5.013 0.266 2.120 1.00 0.00 H ATOM 168 HD11 ILE A 12 -1.016 1.785 2.285 1.00 0.00 H ATOM 169 HD12 ILE A 12 -1.650 2.209 0.695 1.00 0.00 H ATOM 170 HD13 ILE A 12 -2.686 2.322 2.118 1.00 0.00 H ATOM 171 N CYS A 13 -4.207 -2.870 -0.354 1.00 0.00 N ATOM 172 CA CYS A 13 -4.220 -4.278 0.029 1.00 0.00 C ATOM 173 C CYS A 13 -3.104 -5.043 -0.678 1.00 0.00 C ATOM 174 O CYS A 13 -2.601 -6.042 -0.163 1.00 0.00 O ATOM 175 CB CYS A 13 -5.573 -4.905 -0.304 1.00 0.00 C ATOM 176 SG CYS A 13 -5.988 -6.345 0.710 1.00 0.00 S ATOM 177 H CYS A 13 -5.028 -2.463 -0.700 1.00 0.00 H ATOM 178 HA CYS A 13 -4.058 -4.333 1.094 1.00 0.00 H ATOM 179 HB3 CYS A 13 -5.574 -5.220 -1.337 1.00 0.00 H ATOM 180 HG CYS A 13 -6.957 -7.009 0.098 1.00 0.00 H ATOM 181 N SER A 14 -2.723 -4.568 -1.858 1.00 0.00 N ATOM 182 CA SER A 14 -1.671 -5.209 -2.636 1.00 0.00 C ATOM 183 C SER A 14 -0.374 -5.288 -1.838 1.00 0.00 C ATOM 184 O SER A 14 0.480 -6.137 -2.099 1.00 0.00 O ATOM 185 CB SER A 14 -1.435 -4.447 -3.941 1.00 0.00 C ATOM 186 OG SER A 14 -0.313 -4.961 -4.639 1.00 0.00 O ATOM 187 H SER A 14 -3.162 -3.767 -2.215 1.00 0.00 H ATOM 188 HA SER A 14 -1.997 -6.213 -2.871 1.00 0.00 H ATOM 189 HB3 SER A 14 -1.259 -3.404 -3.719 1.00 0.00 H ATOM 190 HG SER A 14 0.344 -4.269 -4.743 1.00 0.00 H ATOM 191 N LEU A 15 -0.232 -4.396 -0.865 1.00 0.00 N ATOM 192 CA LEU A 15 0.961 -4.360 -0.025 1.00 0.00 C ATOM 193 C LEU A 15 0.607 -4.619 1.435 1.00 0.00 C ATOM 194 O LEU A 15 1.421 -5.139 2.199 1.00 0.00 O ATOM 195 CB LEU A 15 1.664 -3.009 -0.162 1.00 0.00 C ATOM 196 CG LEU A 15 1.114 -1.876 0.705 1.00 0.00 C ATOM 197 CD1 LEU A 15 1.870 -1.794 2.022 1.00 0.00 C ATOM 198 CD2 LEU A 15 1.190 -0.550 -0.039 1.00 0.00 C ATOM 199 H LEU A 15 -0.946 -3.743 -0.704 1.00 0.00 H ATOM 200 HA LEU A 15 1.628 -5.140 -0.366 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.593 -2.701 -1.195 1.00 0.00 H ATOM 202 HG LEU A 15 0.075 -2.075 0.930 1.00 0.00 H ATOM 203 HD11 LEU A 15 2.841 -1.352 1.853 1.00 0.00 H ATOM 204 HD12 LEU A 15 1.993 -2.786 2.428 1.00 0.00 H ATOM 205 HD13 LEU A 15 1.313 -1.185 2.720 1.00 0.00 H ATOM 206 HD21 LEU A 15 1.251 0.259 0.673 1.00 0.00 H ATOM 207 HD22 LEU A 15 0.305 -0.429 -0.647 1.00 0.00 H ATOM 208 HD23 LEU A 15 2.065 -0.542 -0.672 1.00 0.00 H ATOM 209 N TYR A 16 -0.612 -4.253 1.816 1.00 0.00 N ATOM 210 CA TYR A 16 -1.073 -4.444 3.186 1.00 0.00 C ATOM 211 C TYR A 16 -1.117 -5.927 3.545 1.00 0.00 C ATOM 212 O TYR A 16 -0.785 -6.316 4.664 1.00 0.00 O ATOM 213 CB TYR A 16 -2.458 -3.821 3.372 1.00 0.00 C ATOM 214 CG TYR A 16 -2.572 -2.956 4.606 1.00 0.00 C ATOM 215 CD1 TYR A 16 -2.084 -3.391 5.832 1.00 0.00 C ATOM 216 CD2 TYR A 16 -3.170 -1.702 4.546 1.00 0.00 C ATOM 217 CE1 TYR A 16 -2.188 -2.603 6.963 1.00 0.00 C ATOM 218 CE2 TYR A 16 -3.277 -0.908 5.672 1.00 0.00 C ATOM 219 CZ TYR A 16 -2.784 -1.363 6.877 1.00 0.00 C ATOM 220 OH TYR A 16 -2.888 -0.576 8.000 1.00 0.00 O ATOM 221 H TYR A 16 -1.215 -3.842 1.164 1.00 0.00 H ATOM 222 HA TYR A 16 -0.375 -3.947 3.845 1.00 0.00 H ATOM 223 HB3 TYR A 16 -3.192 -4.611 3.450 1.00 0.00 H ATOM 224 HD1 TYR A 16 -1.616 -4.364 5.895 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.555 -1.349 3.601 1.00 0.00 H ATOM 226 HE1 TYR A 16 -1.802 -2.959 7.906 1.00 0.00 H ATOM 227 HE2 TYR A 16 -3.744 0.064 5.606 1.00 0.00 H ATOM 228 HH TYR A 16 -2.982 0.343 7.740 1.00 0.00 H ATOM 229 N GLN A 17 -1.530 -6.748 2.585 1.00 0.00 N ATOM 230 CA GLN A 17 -1.619 -8.187 2.798 1.00 0.00 C ATOM 231 C GLN A 17 -0.241 -8.782 3.074 1.00 0.00 C ATOM 232 O GLN A 17 -0.120 -9.950 3.449 1.00 0.00 O ATOM 233 CB GLN A 17 -2.245 -8.868 1.579 1.00 0.00 C ATOM 234 CG GLN A 17 -3.763 -8.931 1.631 1.00 0.00 C ATOM 235 CD GLN A 17 -4.272 -10.179 2.324 1.00 0.00 C ATOM 236 OE1 GLN A 17 -4.361 -11.246 1.718 1.00 0.00 O ATOM 237 NE2 GLN A 17 -4.610 -10.050 3.602 1.00 0.00 N ATOM 238 H GLN A 17 -1.782 -6.378 1.714 1.00 0.00 H ATOM 239 HA GLN A 17 -2.249 -8.358 3.657 1.00 0.00 H ATOM 240 HB3 GLN A 17 -1.867 -9.878 1.511 1.00 0.00 H ATOM 241 HG3 GLN A 17 -4.145 -8.915 0.621 1.00 0.00 H ATOM 242 HE21 GLN A 17 -4.513 -9.168 4.020 1.00 0.00 H ATOM 243 HE22 GLN A 17 -4.942 -10.841 4.075 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 15 ATOM 1 N LYS A 1 8.941 -2.973 1.547 1.00 0.00 N ATOM 2 CA LYS A 1 9.238 -1.547 1.485 1.00 0.00 C ATOM 3 C LYS A 1 8.090 -0.781 0.833 1.00 0.00 C ATOM 4 O LYS A 1 7.789 -0.979 -0.343 1.00 0.00 O ATOM 5 CB LYS A 1 10.532 -1.307 0.703 1.00 0.00 C ATOM 6 CG LYS A 1 11.261 -0.039 1.109 1.00 0.00 C ATOM 7 CD LYS A 1 12.438 0.247 0.190 1.00 0.00 C ATOM 8 CE LYS A 1 12.144 1.409 -0.747 1.00 0.00 C ATOM 9 NZ LYS A 1 13.166 1.525 -1.824 1.00 0.00 N ATOM 10 H1 LYS A 1 8.168 -3.324 1.058 1.00 0.00 H ATOM 11 HA LYS A 1 9.366 -1.190 2.495 1.00 0.00 H ATOM 12 HB3 LYS A 1 10.296 -1.242 -0.349 1.00 0.00 H ATOM 13 HG3 LYS A 1 11.625 -0.151 2.121 1.00 0.00 H ATOM 14 HD3 LYS A 1 12.644 -0.636 -0.399 1.00 0.00 H ATOM 15 HE3 LYS A 1 12.135 2.324 -0.172 1.00 0.00 H ATOM 16 HZ1 LYS A 1 14.053 1.903 -1.437 1.00 0.00 H ATOM 17 HZ2 LYS A 1 12.825 2.162 -2.573 1.00 0.00 H ATOM 18 HZ3 LYS A 1 13.354 0.590 -2.240 1.00 0.00 H ATOM 19 N ARG A 2 7.455 0.093 1.607 1.00 0.00 N ATOM 20 CA ARG A 2 6.340 0.887 1.105 1.00 0.00 C ATOM 21 C ARG A 2 6.779 2.320 0.821 1.00 0.00 C ATOM 22 O ARG A 2 7.970 2.631 0.840 1.00 0.00 O ATOM 23 CB ARG A 2 5.189 0.885 2.112 1.00 0.00 C ATOM 24 CG ARG A 2 4.758 -0.508 2.542 1.00 0.00 C ATOM 25 CD ARG A 2 5.567 -0.997 3.734 1.00 0.00 C ATOM 26 NE ARG A 2 4.777 -1.015 4.961 1.00 0.00 N ATOM 27 CZ ARG A 2 5.091 -1.744 6.027 1.00 0.00 C ATOM 28 NH1 ARG A 2 6.172 -2.512 6.015 1.00 0.00 N ATOM 29 NH2 ARG A 2 4.322 -1.706 7.108 1.00 0.00 N ATOM 30 H ARG A 2 7.740 0.205 2.537 1.00 0.00 H ATOM 31 HA ARG A 2 6.000 0.438 0.183 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.339 1.381 1.671 1.00 0.00 H ATOM 33 HG3 ARG A 2 4.900 -1.189 1.716 1.00 0.00 H ATOM 34 HD3 ARG A 2 6.415 -0.343 3.870 1.00 0.00 H ATOM 35 HE ARG A 2 3.974 -0.455 4.992 1.00 0.00 H ATOM 36 HH11 ARG A 2 6.753 -2.541 5.202 1.00 0.00 H ATOM 37 HH12 ARG A 2 6.406 -3.058 6.818 1.00 0.00 H ATOM 38 HH21 ARG A 2 3.507 -1.129 7.121 1.00 0.00 H ATOM 39 HH22 ARG A 2 4.559 -2.255 7.909 1.00 0.00 H ATOM 40 N GLY A 3 5.809 3.190 0.557 1.00 0.00 N ATOM 41 CA GLY A 3 6.116 4.580 0.272 1.00 0.00 C ATOM 42 C GLY A 3 5.915 4.930 -1.190 1.00 0.00 C ATOM 43 O GLY A 3 6.732 5.634 -1.784 1.00 0.00 O ATOM 44 H GLY A 3 4.877 2.886 0.555 1.00 0.00 H ATOM 45 HA2 GLY A 3 5.476 5.209 0.872 1.00 0.00 H ATOM 46 HA3 GLY A 3 7.144 4.771 0.538 1.00 0.00 H ATOM 47 N ILE A 4 4.826 4.436 -1.771 1.00 0.00 N ATOM 48 CA ILE A 4 4.522 4.700 -3.171 1.00 0.00 C ATOM 49 C ILE A 4 3.180 5.408 -3.320 1.00 0.00 C ATOM 50 O ILE A 4 2.935 6.101 -4.307 1.00 0.00 O ATOM 51 CB ILE A 4 4.500 3.401 -3.998 1.00 0.00 C ATOM 52 CG1 ILE A 4 4.147 2.210 -3.105 1.00 0.00 C ATOM 53 CG2 ILE A 4 5.844 3.181 -4.677 1.00 0.00 C ATOM 54 CD1 ILE A 4 2.744 2.270 -2.543 1.00 0.00 C ATOM 55 H ILE A 4 4.214 3.882 -1.245 1.00 0.00 H ATOM 56 HA ILE A 4 5.299 5.341 -3.565 1.00 0.00 H ATOM 57 HB ILE A 4 3.747 3.502 -4.765 1.00 0.00 H ATOM 58 HG13 ILE A 4 4.837 2.175 -2.274 1.00 0.00 H ATOM 59 HG21 ILE A 4 5.716 2.523 -5.525 1.00 0.00 H ATOM 60 HG22 ILE A 4 6.235 4.129 -5.015 1.00 0.00 H ATOM 61 HG23 ILE A 4 6.533 2.735 -3.977 1.00 0.00 H ATOM 62 HD11 ILE A 4 2.306 1.283 -2.562 1.00 0.00 H ATOM 63 HD12 ILE A 4 2.780 2.629 -1.525 1.00 0.00 H ATOM 64 HD13 ILE A 4 2.145 2.941 -3.140 1.00 0.00 H ATOM 65 N VAL A 5 2.312 5.230 -2.329 1.00 0.00 N ATOM 66 CA VAL A 5 0.993 5.853 -2.346 1.00 0.00 C ATOM 67 C VAL A 5 0.500 6.133 -0.931 1.00 0.00 C ATOM 68 O VAL A 5 0.117 7.257 -0.609 1.00 0.00 O ATOM 69 CB VAL A 5 -0.037 4.966 -3.071 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.413 5.614 -3.041 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.406 4.698 -4.502 1.00 0.00 C ATOM 72 H VAL A 5 2.564 4.665 -1.567 1.00 0.00 H ATOM 73 HA VAL A 5 1.073 6.788 -2.881 1.00 0.00 H ATOM 74 HB VAL A 5 -0.097 4.021 -2.552 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.327 6.622 -2.662 1.00 0.00 H ATOM 76 HG12 VAL A 5 -1.822 5.637 -4.040 1.00 0.00 H ATOM 77 HG13 VAL A 5 -2.065 5.042 -2.397 1.00 0.00 H ATOM 78 HG21 VAL A 5 1.350 4.177 -4.495 1.00 0.00 H ATOM 79 HG22 VAL A 5 -0.337 4.093 -5.000 1.00 0.00 H ATOM 80 HG23 VAL A 5 0.515 5.637 -5.026 1.00 0.00 H ATOM 81 N GLU A 6 0.511 5.104 -0.091 1.00 0.00 N ATOM 82 CA GLU A 6 0.065 5.239 1.290 1.00 0.00 C ATOM 83 C GLU A 6 -1.414 5.611 1.348 1.00 0.00 C ATOM 84 O GLU A 6 -1.875 6.212 2.320 1.00 0.00 O ATOM 85 CB GLU A 6 0.897 6.298 2.017 1.00 0.00 C ATOM 86 CG GLU A 6 2.394 6.157 1.793 1.00 0.00 C ATOM 87 CD GLU A 6 3.185 7.297 2.402 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.089 8.429 1.886 1.00 0.00 O ATOM 89 OE2 GLU A 6 3.902 7.056 3.397 1.00 0.00 O ATOM 90 H GLU A 6 0.828 4.231 -0.406 1.00 0.00 H ATOM 91 HA GLU A 6 0.205 4.287 1.780 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.705 6.224 3.078 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.584 6.132 0.730 1.00 0.00 H ATOM 94 N GLN A 7 -2.151 5.250 0.304 1.00 0.00 N ATOM 95 CA GLN A 7 -3.577 5.545 0.236 1.00 0.00 C ATOM 96 C GLN A 7 -4.395 4.263 0.122 1.00 0.00 C ATOM 97 O GLN A 7 -3.982 3.310 -0.540 1.00 0.00 O ATOM 98 CB GLN A 7 -3.873 6.461 -0.953 1.00 0.00 C ATOM 99 CG GLN A 7 -4.768 7.639 -0.606 1.00 0.00 C ATOM 100 CD GLN A 7 -5.293 8.356 -1.834 1.00 0.00 C ATOM 101 OE1 GLN A 7 -6.504 8.472 -2.030 1.00 0.00 O ATOM 102 NE2 GLN A 7 -4.383 8.843 -2.669 1.00 0.00 N ATOM 103 H GLN A 7 -1.725 4.773 -0.439 1.00 0.00 H ATOM 104 HA GLN A 7 -3.854 6.053 1.148 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.360 5.883 -1.725 1.00 0.00 H ATOM 106 HG3 GLN A 7 -4.203 8.341 -0.011 1.00 0.00 H ATOM 107 HE21 GLN A 7 -3.436 8.712 -2.450 1.00 0.00 H ATOM 108 HE22 GLN A 7 -4.694 9.310 -3.471 1.00 0.00 H ATOM 109 N CYS A 8 -5.554 4.247 0.769 1.00 0.00 N ATOM 110 CA CYS A 8 -6.430 3.080 0.740 1.00 0.00 C ATOM 111 C CYS A 8 -7.496 3.227 -0.339 1.00 0.00 C ATOM 112 O CYS A 8 -8.634 2.789 -0.165 1.00 0.00 O ATOM 113 CB CYS A 8 -7.090 2.880 2.104 1.00 0.00 C ATOM 114 SG CYS A 8 -5.942 2.945 3.499 1.00 0.00 S ATOM 115 H CYS A 8 -5.829 5.038 1.278 1.00 0.00 H ATOM 116 HA CYS A 8 -5.823 2.218 0.514 1.00 0.00 H ATOM 117 HB3 CYS A 8 -7.577 1.916 2.122 1.00 0.00 H ATOM 118 HG CYS A 8 -4.805 3.470 3.066 1.00 0.00 H ATOM 119 N CYS A 9 -7.122 3.849 -1.453 1.00 0.00 N ATOM 120 CA CYS A 9 -8.049 4.056 -2.561 1.00 0.00 C ATOM 121 C CYS A 9 -7.545 3.369 -3.826 1.00 0.00 C ATOM 122 O CYS A 9 -8.334 2.951 -4.676 1.00 0.00 O ATOM 123 CB CYS A 9 -8.240 5.551 -2.819 1.00 0.00 C ATOM 124 SG CYS A 9 -9.563 6.305 -1.847 1.00 0.00 S ATOM 125 H CYS A 9 -6.202 4.175 -1.533 1.00 0.00 H ATOM 126 HA CYS A 9 -8.998 3.623 -2.283 1.00 0.00 H ATOM 127 HB3 CYS A 9 -8.470 5.701 -3.863 1.00 0.00 H ATOM 128 HG CYS A 9 -9.016 6.888 -0.792 1.00 0.00 H ATOM 129 N THR A 10 -6.226 3.255 -3.946 1.00 0.00 N ATOM 130 CA THR A 10 -5.618 2.621 -5.109 1.00 0.00 C ATOM 131 C THR A 10 -5.711 1.102 -5.019 1.00 0.00 C ATOM 132 O THR A 10 -6.500 0.476 -5.726 1.00 0.00 O ATOM 133 CB THR A 10 -4.139 3.024 -5.259 1.00 0.00 C ATOM 134 OG1 THR A 10 -3.585 3.339 -3.977 1.00 0.00 O ATOM 135 CG2 THR A 10 -3.996 4.221 -6.187 1.00 0.00 C ATOM 136 H THR A 10 -5.650 3.605 -3.236 1.00 0.00 H ATOM 137 HA THR A 10 -6.151 2.953 -5.988 1.00 0.00 H ATOM 138 HB THR A 10 -3.595 2.192 -5.684 1.00 0.00 H ATOM 139 HG1 THR A 10 -2.768 2.850 -3.852 1.00 0.00 H ATOM 140 HG21 THR A 10 -4.476 4.005 -7.129 1.00 0.00 H ATOM 141 HG22 THR A 10 -2.949 4.424 -6.356 1.00 0.00 H ATOM 142 HG23 THR A 10 -4.461 5.084 -5.734 1.00 0.00 H ATOM 143 N SER A 11 -4.900 0.514 -4.145 1.00 0.00 N ATOM 144 CA SER A 11 -4.889 -0.933 -3.965 1.00 0.00 C ATOM 145 C SER A 11 -3.996 -1.328 -2.793 1.00 0.00 C ATOM 146 O SER A 11 -3.240 -2.296 -2.874 1.00 0.00 O ATOM 147 CB SER A 11 -4.407 -1.623 -5.243 1.00 0.00 C ATOM 148 OG SER A 11 -5.165 -2.791 -5.508 1.00 0.00 O ATOM 149 H SER A 11 -4.292 1.067 -3.610 1.00 0.00 H ATOM 150 HA SER A 11 -5.900 -1.248 -3.755 1.00 0.00 H ATOM 151 HB3 SER A 11 -3.369 -1.900 -5.129 1.00 0.00 H ATOM 152 HG SER A 11 -5.565 -2.723 -6.379 1.00 0.00 H ATOM 153 N ILE A 12 -4.091 -0.571 -1.704 1.00 0.00 N ATOM 154 CA ILE A 12 -3.294 -0.842 -0.514 1.00 0.00 C ATOM 155 C ILE A 12 -3.468 -2.285 -0.053 1.00 0.00 C ATOM 156 O ILE A 12 -2.574 -2.862 0.568 1.00 0.00 O ATOM 157 CB ILE A 12 -3.668 0.105 0.641 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.542 0.148 1.678 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.972 -0.336 1.286 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.974 1.533 1.894 1.00 0.00 C ATOM 161 H ILE A 12 -4.712 0.186 -1.701 1.00 0.00 H ATOM 162 HA ILE A 12 -2.255 -0.679 -0.766 1.00 0.00 H ATOM 163 HB ILE A 12 -3.811 1.094 0.234 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.738 -0.496 1.352 1.00 0.00 H ATOM 165 HG21 ILE A 12 -5.481 0.523 1.694 1.00 0.00 H ATOM 166 HG22 ILE A 12 -5.600 -0.806 0.542 1.00 0.00 H ATOM 167 HG23 ILE A 12 -4.764 -1.041 2.077 1.00 0.00 H ATOM 168 HD11 ILE A 12 -1.553 1.898 0.967 1.00 0.00 H ATOM 169 HD12 ILE A 12 -2.759 2.199 2.218 1.00 0.00 H ATOM 170 HD13 ILE A 12 -1.200 1.491 2.647 1.00 0.00 H ATOM 171 N CYS A 13 -4.623 -2.863 -0.361 1.00 0.00 N ATOM 172 CA CYS A 13 -4.916 -4.240 0.023 1.00 0.00 C ATOM 173 C CYS A 13 -3.903 -5.201 -0.591 1.00 0.00 C ATOM 174 O CYS A 13 -3.736 -6.326 -0.119 1.00 0.00 O ATOM 175 CB CYS A 13 -6.330 -4.623 -0.415 1.00 0.00 C ATOM 176 SG CYS A 13 -7.518 -4.735 0.944 1.00 0.00 S ATOM 177 H CYS A 13 -5.297 -2.352 -0.857 1.00 0.00 H ATOM 178 HA CYS A 13 -4.851 -4.305 1.098 1.00 0.00 H ATOM 179 HB3 CYS A 13 -6.299 -5.585 -0.906 1.00 0.00 H ATOM 180 HG CYS A 13 -7.106 -5.683 1.771 1.00 0.00 H ATOM 181 N SER A 14 -3.231 -4.751 -1.645 1.00 0.00 N ATOM 182 CA SER A 14 -2.238 -5.573 -2.327 1.00 0.00 C ATOM 183 C SER A 14 -0.927 -5.600 -1.547 1.00 0.00 C ATOM 184 O SER A 14 -0.077 -6.464 -1.767 1.00 0.00 O ATOM 185 CB SER A 14 -1.992 -5.046 -3.742 1.00 0.00 C ATOM 186 OG SER A 14 -1.236 -5.969 -4.505 1.00 0.00 O ATOM 187 H SER A 14 -3.409 -3.845 -1.974 1.00 0.00 H ATOM 188 HA SER A 14 -2.626 -6.579 -2.389 1.00 0.00 H ATOM 189 HB3 SER A 14 -1.450 -4.114 -3.685 1.00 0.00 H ATOM 190 HG SER A 14 -1.723 -6.204 -5.298 1.00 0.00 H ATOM 191 N LEU A 15 -0.770 -4.647 -0.634 1.00 0.00 N ATOM 192 CA LEU A 15 0.438 -4.560 0.180 1.00 0.00 C ATOM 193 C LEU A 15 0.105 -4.682 1.664 1.00 0.00 C ATOM 194 O LEU A 15 0.996 -4.695 2.512 1.00 0.00 O ATOM 195 CB LEU A 15 1.161 -3.238 -0.085 1.00 0.00 C ATOM 196 CG LEU A 15 0.637 -2.022 0.679 1.00 0.00 C ATOM 197 CD1 LEU A 15 1.370 -1.867 2.002 1.00 0.00 C ATOM 198 CD2 LEU A 15 0.780 -0.761 -0.162 1.00 0.00 C ATOM 199 H LEU A 15 -1.482 -3.987 -0.503 1.00 0.00 H ATOM 200 HA LEU A 15 1.086 -5.377 -0.099 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.083 -3.026 -1.142 1.00 0.00 H ATOM 202 HG LEU A 15 -0.413 -2.165 0.893 1.00 0.00 H ATOM 203 HD11 LEU A 15 2.373 -2.253 1.907 1.00 0.00 H ATOM 204 HD12 LEU A 15 0.845 -2.415 2.770 1.00 0.00 H ATOM 205 HD13 LEU A 15 1.409 -0.821 2.271 1.00 0.00 H ATOM 206 HD21 LEU A 15 0.791 0.103 0.484 1.00 0.00 H ATOM 207 HD22 LEU A 15 -0.053 -0.690 -0.846 1.00 0.00 H ATOM 208 HD23 LEU A 15 1.703 -0.805 -0.722 1.00 0.00 H ATOM 209 N TYR A 16 -1.185 -4.773 1.969 1.00 0.00 N ATOM 210 CA TYR A 16 -1.637 -4.894 3.350 1.00 0.00 C ATOM 211 C TYR A 16 -0.909 -6.028 4.065 1.00 0.00 C ATOM 212 O TYR A 16 -0.519 -5.895 5.224 1.00 0.00 O ATOM 213 CB TYR A 16 -3.147 -5.133 3.396 1.00 0.00 C ATOM 214 CG TYR A 16 -3.894 -4.132 4.248 1.00 0.00 C ATOM 215 CD1 TYR A 16 -3.890 -4.231 5.635 1.00 0.00 C ATOM 216 CD2 TYR A 16 -4.603 -3.088 3.669 1.00 0.00 C ATOM 217 CE1 TYR A 16 -4.571 -3.321 6.419 1.00 0.00 C ATOM 218 CE2 TYR A 16 -5.286 -2.172 4.445 1.00 0.00 C ATOM 219 CZ TYR A 16 -5.266 -2.292 5.818 1.00 0.00 C ATOM 220 OH TYR A 16 -5.946 -1.381 6.594 1.00 0.00 O ATOM 221 H TYR A 16 -1.849 -4.756 1.249 1.00 0.00 H ATOM 222 HA TYR A 16 -1.414 -3.963 3.854 1.00 0.00 H ATOM 223 HB3 TYR A 16 -3.336 -6.118 3.798 1.00 0.00 H ATOM 224 HD1 TYR A 16 -3.342 -5.038 6.102 1.00 0.00 H ATOM 225 HD2 TYR A 16 -4.617 -2.998 2.593 1.00 0.00 H ATOM 226 HE1 TYR A 16 -4.556 -3.413 7.494 1.00 0.00 H ATOM 227 HE2 TYR A 16 -5.832 -1.366 3.975 1.00 0.00 H ATOM 228 HH TYR A 16 -6.347 -0.717 6.030 1.00 0.00 H ATOM 229 N GLN A 17 -0.728 -7.141 3.362 1.00 0.00 N ATOM 230 CA GLN A 17 -0.046 -8.299 3.929 1.00 0.00 C ATOM 231 C GLN A 17 -0.723 -8.754 5.217 1.00 0.00 C ATOM 232 O GLN A 17 -1.920 -8.533 5.413 1.00 0.00 O ATOM 233 CB GLN A 17 1.423 -7.970 4.199 1.00 0.00 C ATOM 234 CG GLN A 17 2.235 -7.727 2.938 1.00 0.00 C ATOM 235 CD GLN A 17 3.382 -8.707 2.784 1.00 0.00 C ATOM 236 OE1 GLN A 17 3.171 -9.914 2.663 1.00 0.00 O ATOM 237 NE2 GLN A 17 4.606 -8.192 2.789 1.00 0.00 N ATOM 238 H GLN A 17 -1.061 -7.185 2.442 1.00 0.00 H ATOM 239 HA GLN A 17 -0.099 -9.100 3.207 1.00 0.00 H ATOM 240 HB3 GLN A 17 1.871 -8.794 4.737 1.00 0.00 H ATOM 241 HG3 GLN A 17 2.637 -6.726 2.971 1.00 0.00 H ATOM 242 HE21 GLN A 17 4.698 -7.220 2.892 1.00 0.00 H ATOM 243 HE22 GLN A 17 5.366 -8.801 2.693 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 16 ATOM 1 N LYS A 1 7.556 -3.289 0.155 1.00 0.00 N ATOM 2 CA LYS A 1 7.732 -2.137 1.031 1.00 0.00 C ATOM 3 C LYS A 1 6.608 -1.126 0.831 1.00 0.00 C ATOM 4 O LYS A 1 5.840 -1.220 -0.127 1.00 0.00 O ATOM 5 CB LYS A 1 9.084 -1.472 0.768 1.00 0.00 C ATOM 6 CG LYS A 1 9.911 -1.256 2.024 1.00 0.00 C ATOM 7 CD LYS A 1 10.945 -2.355 2.206 1.00 0.00 C ATOM 8 CE LYS A 1 12.192 -1.837 2.906 1.00 0.00 C ATOM 9 NZ LYS A 1 13.170 -1.257 1.944 1.00 0.00 N ATOM 10 H1 LYS A 1 8.333 -3.848 -0.060 1.00 0.00 H ATOM 11 HA LYS A 1 7.705 -2.488 2.052 1.00 0.00 H ATOM 12 HB3 LYS A 1 8.914 -0.510 0.306 1.00 0.00 H ATOM 13 HG3 LYS A 1 9.252 -1.251 2.881 1.00 0.00 H ATOM 14 HD3 LYS A 1 11.223 -2.739 1.233 1.00 0.00 H ATOM 15 HE3 LYS A 1 12.660 -2.656 3.432 1.00 0.00 H ATOM 16 HZ1 LYS A 1 14.138 -1.527 2.212 1.00 0.00 H ATOM 17 HZ2 LYS A 1 13.097 -0.219 1.945 1.00 0.00 H ATOM 18 HZ3 LYS A 1 12.976 -1.606 0.985 1.00 0.00 H ATOM 19 N ARG A 2 6.518 -0.160 1.738 1.00 0.00 N ATOM 20 CA ARG A 2 5.488 0.870 1.661 1.00 0.00 C ATOM 21 C ARG A 2 6.081 2.198 1.199 1.00 0.00 C ATOM 22 O ARG A 2 7.231 2.260 0.767 1.00 0.00 O ATOM 23 CB ARG A 2 4.810 1.047 3.020 1.00 0.00 C ATOM 24 CG ARG A 2 4.299 -0.254 3.619 1.00 0.00 C ATOM 25 CD ARG A 2 5.371 -0.943 4.449 1.00 0.00 C ATOM 26 NE ARG A 2 5.138 -0.786 5.883 1.00 0.00 N ATOM 27 CZ ARG A 2 4.287 -1.536 6.575 1.00 0.00 C ATOM 28 NH1 ARG A 2 3.594 -2.489 5.968 1.00 0.00 N ATOM 29 NH2 ARG A 2 4.130 -1.333 7.877 1.00 0.00 N ATOM 30 H ARG A 2 7.160 -0.137 2.479 1.00 0.00 H ATOM 31 HA ARG A 2 4.752 0.548 0.938 1.00 0.00 H ATOM 32 HB3 ARG A 2 3.973 1.718 2.905 1.00 0.00 H ATOM 33 HG3 ARG A 2 3.996 -0.913 2.819 1.00 0.00 H ATOM 34 HD3 ARG A 2 6.331 -0.514 4.201 1.00 0.00 H ATOM 35 HE ARG A 2 5.640 -0.087 6.350 1.00 0.00 H ATOM 36 HH11 ARG A 2 3.711 -2.645 4.988 1.00 0.00 H ATOM 37 HH12 ARG A 2 2.955 -3.054 6.492 1.00 0.00 H ATOM 38 HH21 ARG A 2 4.652 -0.615 8.338 1.00 0.00 H ATOM 39 HH22 ARG A 2 3.490 -1.897 8.396 1.00 0.00 H ATOM 40 N GLY A 3 5.285 3.261 1.293 1.00 0.00 N ATOM 41 CA GLY A 3 5.749 4.573 0.881 1.00 0.00 C ATOM 42 C GLY A 3 5.806 4.721 -0.626 1.00 0.00 C ATOM 43 O GLY A 3 6.764 5.276 -1.165 1.00 0.00 O ATOM 44 H GLY A 3 4.377 3.152 1.645 1.00 0.00 H ATOM 45 HA2 GLY A 3 5.079 5.319 1.281 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.736 4.736 1.285 1.00 0.00 H ATOM 47 N ILE A 4 4.782 4.219 -1.308 1.00 0.00 N ATOM 48 CA ILE A 4 4.721 4.298 -2.762 1.00 0.00 C ATOM 49 C ILE A 4 3.468 5.037 -3.221 1.00 0.00 C ATOM 50 O ILE A 4 3.442 5.626 -4.302 1.00 0.00 O ATOM 51 CB ILE A 4 4.742 2.898 -3.403 1.00 0.00 C ATOM 52 CG1 ILE A 4 4.218 1.854 -2.416 1.00 0.00 C ATOM 53 CG2 ILE A 4 6.150 2.546 -3.859 1.00 0.00 C ATOM 54 CD1 ILE A 4 2.752 2.021 -2.079 1.00 0.00 C ATOM 55 H ILE A 4 4.050 3.789 -0.821 1.00 0.00 H ATOM 56 HA ILE A 4 5.591 4.841 -3.103 1.00 0.00 H ATOM 57 HB ILE A 4 4.101 2.916 -4.272 1.00 0.00 H ATOM 58 HG13 ILE A 4 4.781 1.925 -1.495 1.00 0.00 H ATOM 59 HG21 ILE A 4 6.572 3.379 -4.402 1.00 0.00 H ATOM 60 HG22 ILE A 4 6.763 2.329 -2.997 1.00 0.00 H ATOM 61 HG23 ILE A 4 6.113 1.680 -4.503 1.00 0.00 H ATOM 62 HD11 ILE A 4 2.277 2.627 -2.837 1.00 0.00 H ATOM 63 HD12 ILE A 4 2.277 1.051 -2.045 1.00 0.00 H ATOM 64 HD13 ILE A 4 2.656 2.506 -1.120 1.00 0.00 H ATOM 65 N VAL A 5 2.431 5.004 -2.390 1.00 0.00 N ATOM 66 CA VAL A 5 1.176 5.672 -2.708 1.00 0.00 C ATOM 67 C VAL A 5 0.619 6.406 -1.492 1.00 0.00 C ATOM 68 O VAL A 5 0.113 7.521 -1.606 1.00 0.00 O ATOM 69 CB VAL A 5 0.121 4.673 -3.219 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.168 5.395 -3.583 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.659 3.892 -4.409 1.00 0.00 C ATOM 72 H VAL A 5 2.512 4.519 -1.542 1.00 0.00 H ATOM 73 HA VAL A 5 1.368 6.391 -3.493 1.00 0.00 H ATOM 74 HB VAL A 5 -0.097 3.974 -2.425 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.939 4.669 -3.794 1.00 0.00 H ATOM 76 HG12 VAL A 5 -1.477 6.020 -2.759 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.001 6.006 -4.457 1.00 0.00 H ATOM 78 HG21 VAL A 5 1.613 4.300 -4.705 1.00 0.00 H ATOM 79 HG22 VAL A 5 0.780 2.855 -4.131 1.00 0.00 H ATOM 80 HG23 VAL A 5 -0.036 3.966 -5.232 1.00 0.00 H ATOM 81 N GLU A 6 0.716 5.769 -0.330 1.00 0.00 N ATOM 82 CA GLU A 6 0.221 6.360 0.908 1.00 0.00 C ATOM 83 C GLU A 6 -1.295 6.532 0.862 1.00 0.00 C ATOM 84 O GLU A 6 -1.868 7.282 1.651 1.00 0.00 O ATOM 85 CB GLU A 6 0.892 7.714 1.155 1.00 0.00 C ATOM 86 CG GLU A 6 2.397 7.693 0.954 1.00 0.00 C ATOM 87 CD GLU A 6 2.824 8.373 -0.332 1.00 0.00 C ATOM 88 OE1 GLU A 6 2.328 9.484 -0.608 1.00 0.00 O ATOM 89 OE2 GLU A 6 3.655 7.792 -1.062 1.00 0.00 O ATOM 90 H GLU A 6 1.129 4.880 -0.303 1.00 0.00 H ATOM 91 HA GLU A 6 0.472 5.692 1.718 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.688 8.021 2.171 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.730 6.665 0.930 1.00 0.00 H ATOM 94 N GLN A 7 -1.935 5.833 -0.069 1.00 0.00 N ATOM 95 CA GLN A 7 -3.383 5.907 -0.219 1.00 0.00 C ATOM 96 C GLN A 7 -4.022 4.534 -0.031 1.00 0.00 C ATOM 97 O GLN A 7 -3.533 3.536 -0.557 1.00 0.00 O ATOM 98 CB GLN A 7 -3.745 6.468 -1.596 1.00 0.00 C ATOM 99 CG GLN A 7 -3.121 7.824 -1.885 1.00 0.00 C ATOM 100 CD GLN A 7 -2.949 8.082 -3.367 1.00 0.00 C ATOM 101 OE1 GLN A 7 -1.871 8.470 -3.821 1.00 0.00 O ATOM 102 NE2 GLN A 7 -4.013 7.871 -4.133 1.00 0.00 N ATOM 103 H GLN A 7 -1.421 5.251 -0.669 1.00 0.00 H ATOM 104 HA GLN A 7 -3.760 6.573 0.542 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.819 6.571 -1.658 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.150 7.866 -1.411 1.00 0.00 H ATOM 107 HE21 GLN A 7 -4.839 7.564 -3.703 1.00 0.00 H ATOM 108 HE22 GLN A 7 -3.929 8.031 -5.097 1.00 0.00 H ATOM 109 N CYS A 8 -5.117 4.496 0.720 1.00 0.00 N ATOM 110 CA CYS A 8 -5.822 3.245 0.979 1.00 0.00 C ATOM 111 C CYS A 8 -6.990 3.071 0.013 1.00 0.00 C ATOM 112 O CYS A 8 -7.976 2.405 0.330 1.00 0.00 O ATOM 113 CB CYS A 8 -6.328 3.209 2.421 1.00 0.00 C ATOM 114 SG CYS A 8 -7.452 4.561 2.844 1.00 0.00 S ATOM 115 H CYS A 8 -5.459 5.327 1.111 1.00 0.00 H ATOM 116 HA CYS A 8 -5.124 2.436 0.829 1.00 0.00 H ATOM 117 HB3 CYS A 8 -5.482 3.261 3.092 1.00 0.00 H ATOM 118 HG CYS A 8 -6.938 5.213 3.876 1.00 0.00 H ATOM 119 N CYS A 9 -6.874 3.677 -1.163 1.00 0.00 N ATOM 120 CA CYS A 9 -7.923 3.593 -2.174 1.00 0.00 C ATOM 121 C CYS A 9 -7.409 2.903 -3.433 1.00 0.00 C ATOM 122 O CYS A 9 -8.188 2.379 -4.230 1.00 0.00 O ATOM 123 CB CYS A 9 -8.443 4.988 -2.519 1.00 0.00 C ATOM 124 SG CYS A 9 -9.666 5.630 -1.353 1.00 0.00 S ATOM 125 H CYS A 9 -6.066 4.196 -1.357 1.00 0.00 H ATOM 126 HA CYS A 9 -8.732 3.008 -1.762 1.00 0.00 H ATOM 127 HB3 CYS A 9 -8.901 4.963 -3.496 1.00 0.00 H ATOM 128 HG CYS A 9 -10.720 6.034 -2.046 1.00 0.00 H ATOM 129 N THR A 10 -6.090 2.907 -3.608 1.00 0.00 N ATOM 130 CA THR A 10 -5.472 2.284 -4.772 1.00 0.00 C ATOM 131 C THR A 10 -5.169 0.813 -4.512 1.00 0.00 C ATOM 132 O THR A 10 -4.058 0.345 -4.761 1.00 0.00 O ATOM 133 CB THR A 10 -4.168 3.003 -5.167 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.282 4.405 -4.898 1.00 0.00 O ATOM 135 CG2 THR A 10 -3.857 2.787 -6.640 1.00 0.00 C ATOM 136 H THR A 10 -5.523 3.341 -2.938 1.00 0.00 H ATOM 137 HA THR A 10 -6.165 2.359 -5.597 1.00 0.00 H ATOM 138 HB THR A 10 -3.358 2.596 -4.579 1.00 0.00 H ATOM 139 HG1 THR A 10 -5.134 4.722 -5.208 1.00 0.00 H ATOM 140 HG21 THR A 10 -4.366 1.901 -6.989 1.00 0.00 H ATOM 141 HG22 THR A 10 -2.791 2.662 -6.768 1.00 0.00 H ATOM 142 HG23 THR A 10 -4.190 3.643 -7.208 1.00 0.00 H ATOM 143 N SER A 11 -6.166 0.088 -4.012 1.00 0.00 N ATOM 144 CA SER A 11 -6.003 -1.330 -3.716 1.00 0.00 C ATOM 145 C SER A 11 -4.773 -1.568 -2.846 1.00 0.00 C ATOM 146 O SER A 11 -4.009 -2.506 -3.075 1.00 0.00 O ATOM 147 CB SER A 11 -5.889 -2.134 -5.013 1.00 0.00 C ATOM 148 OG SER A 11 -6.607 -3.351 -4.924 1.00 0.00 O ATOM 149 H SER A 11 -7.027 0.519 -3.835 1.00 0.00 H ATOM 150 HA SER A 11 -6.880 -1.658 -3.176 1.00 0.00 H ATOM 151 HB3 SER A 11 -4.848 -2.356 -5.203 1.00 0.00 H ATOM 152 HG SER A 11 -6.171 -3.935 -4.298 1.00 0.00 H ATOM 153 N ILE A 12 -4.587 -0.709 -1.849 1.00 0.00 N ATOM 154 CA ILE A 12 -3.449 -0.826 -0.945 1.00 0.00 C ATOM 155 C ILE A 12 -3.346 -2.234 -0.369 1.00 0.00 C ATOM 156 O ILE A 12 -2.256 -2.703 -0.039 1.00 0.00 O ATOM 157 CB ILE A 12 -3.547 0.184 0.214 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.178 0.370 0.875 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.574 -0.278 1.235 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.676 1.797 0.835 1.00 0.00 C ATOM 161 H ILE A 12 -5.230 0.018 -1.718 1.00 0.00 H ATOM 162 HA ILE A 12 -2.552 -0.611 -1.508 1.00 0.00 H ATOM 163 HB ILE A 12 -3.875 1.130 -0.190 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.455 -0.251 0.365 1.00 0.00 H ATOM 165 HG21 ILE A 12 -4.725 0.498 1.971 1.00 0.00 H ATOM 166 HG22 ILE A 12 -5.510 -0.484 0.735 1.00 0.00 H ATOM 167 HG23 ILE A 12 -4.222 -1.173 1.723 1.00 0.00 H ATOM 168 HD11 ILE A 12 -0.725 1.857 1.344 1.00 0.00 H ATOM 169 HD12 ILE A 12 -1.557 2.109 -0.191 1.00 0.00 H ATOM 170 HD13 ILE A 12 -2.389 2.442 1.328 1.00 0.00 H ATOM 171 N CYS A 13 -4.487 -2.904 -0.253 1.00 0.00 N ATOM 172 CA CYS A 13 -4.525 -4.261 0.283 1.00 0.00 C ATOM 173 C CYS A 13 -3.560 -5.170 -0.471 1.00 0.00 C ATOM 174 O CYS A 13 -3.049 -6.144 0.083 1.00 0.00 O ATOM 175 CB CYS A 13 -5.945 -4.824 0.200 1.00 0.00 C ATOM 176 SG CYS A 13 -6.667 -4.764 -1.457 1.00 0.00 S ATOM 177 H CYS A 13 -5.324 -2.477 -0.532 1.00 0.00 H ATOM 178 HA CYS A 13 -4.225 -4.216 1.319 1.00 0.00 H ATOM 179 HB3 CYS A 13 -6.586 -4.259 0.860 1.00 0.00 H ATOM 180 HG CYS A 13 -6.986 -3.507 -1.719 1.00 0.00 H ATOM 181 N SER A 14 -3.315 -4.846 -1.736 1.00 0.00 N ATOM 182 CA SER A 14 -2.414 -5.636 -2.567 1.00 0.00 C ATOM 183 C SER A 14 -1.027 -5.720 -1.938 1.00 0.00 C ATOM 184 O SER A 14 -0.263 -6.648 -2.210 1.00 0.00 O ATOM 185 CB SER A 14 -2.316 -5.030 -3.968 1.00 0.00 C ATOM 186 OG SER A 14 -3.594 -4.935 -4.574 1.00 0.00 O ATOM 187 H SER A 14 -3.753 -4.057 -2.120 1.00 0.00 H ATOM 188 HA SER A 14 -2.823 -6.633 -2.643 1.00 0.00 H ATOM 189 HB3 SER A 14 -1.685 -5.655 -4.583 1.00 0.00 H ATOM 190 HG SER A 14 -3.505 -5.028 -5.525 1.00 0.00 H ATOM 191 N LEU A 15 -0.708 -4.744 -1.094 1.00 0.00 N ATOM 192 CA LEU A 15 0.588 -4.706 -0.425 1.00 0.00 C ATOM 193 C LEU A 15 0.421 -4.786 1.089 1.00 0.00 C ATOM 194 O LEU A 15 1.300 -5.281 1.795 1.00 0.00 O ATOM 195 CB LEU A 15 1.340 -3.427 -0.800 1.00 0.00 C ATOM 196 CG LEU A 15 0.974 -2.176 -0.001 1.00 0.00 C ATOM 197 CD1 LEU A 15 1.904 -2.012 1.191 1.00 0.00 C ATOM 198 CD2 LEU A 15 1.022 -0.942 -0.891 1.00 0.00 C ATOM 199 H LEU A 15 -1.357 -4.034 -0.917 1.00 0.00 H ATOM 200 HA LEU A 15 1.159 -5.560 -0.758 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.146 -3.225 -1.844 1.00 0.00 H ATOM 202 HG LEU A 15 -0.035 -2.278 0.376 1.00 0.00 H ATOM 203 HD11 LEU A 15 2.643 -1.256 0.970 1.00 0.00 H ATOM 204 HD12 LEU A 15 2.399 -2.950 1.393 1.00 0.00 H ATOM 205 HD13 LEU A 15 1.332 -1.713 2.055 1.00 0.00 H ATOM 206 HD21 LEU A 15 1.163 -0.063 -0.281 1.00 0.00 H ATOM 207 HD22 LEU A 15 0.094 -0.857 -1.438 1.00 0.00 H ATOM 208 HD23 LEU A 15 1.843 -1.034 -1.587 1.00 0.00 H ATOM 209 N TYR A 16 -0.713 -4.301 1.581 1.00 0.00 N ATOM 210 CA TYR A 16 -0.995 -4.316 3.011 1.00 0.00 C ATOM 211 C TYR A 16 -0.900 -5.734 3.569 1.00 0.00 C ATOM 212 O TYR A 16 -0.393 -5.946 4.670 1.00 0.00 O ATOM 213 CB TYR A 16 -2.386 -3.742 3.284 1.00 0.00 C ATOM 214 CG TYR A 16 -2.433 -2.812 4.476 1.00 0.00 C ATOM 215 CD1 TYR A 16 -2.111 -3.264 5.749 1.00 0.00 C ATOM 216 CD2 TYR A 16 -2.798 -1.480 4.328 1.00 0.00 C ATOM 217 CE1 TYR A 16 -2.153 -2.420 6.841 1.00 0.00 C ATOM 218 CE2 TYR A 16 -2.842 -0.626 5.414 1.00 0.00 C ATOM 219 CZ TYR A 16 -2.519 -1.101 6.667 1.00 0.00 C ATOM 220 OH TYR A 16 -2.561 -0.254 7.753 1.00 0.00 O ATOM 221 H TYR A 16 -1.375 -3.918 0.968 1.00 0.00 H ATOM 222 HA TYR A 16 -0.257 -3.699 3.502 1.00 0.00 H ATOM 223 HB3 TYR A 16 -3.072 -4.554 3.469 1.00 0.00 H ATOM 224 HD1 TYR A 16 -1.824 -4.299 5.882 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.051 -1.110 3.344 1.00 0.00 H ATOM 226 HE1 TYR A 16 -1.901 -2.790 7.823 1.00 0.00 H ATOM 227 HE2 TYR A 16 -3.129 0.407 5.278 1.00 0.00 H ATOM 228 HH TYR A 16 -2.738 0.641 7.451 1.00 0.00 H ATOM 229 N GLN A 17 -1.391 -6.700 2.799 1.00 0.00 N ATOM 230 CA GLN A 17 -1.361 -8.097 3.216 1.00 0.00 C ATOM 231 C GLN A 17 -0.059 -8.766 2.786 1.00 0.00 C ATOM 232 O GLN A 17 0.486 -9.603 3.504 1.00 0.00 O ATOM 233 CB GLN A 17 -2.554 -8.851 2.627 1.00 0.00 C ATOM 234 CG GLN A 17 -2.426 -9.127 1.137 1.00 0.00 C ATOM 235 CD GLN A 17 -1.759 -10.458 0.846 1.00 0.00 C ATOM 236 OE1 GLN A 17 -0.698 -10.510 0.225 1.00 0.00 O ATOM 237 NE2 GLN A 17 -2.382 -11.542 1.292 1.00 0.00 N ATOM 238 H GLN A 17 -1.782 -6.467 1.932 1.00 0.00 H ATOM 239 HA GLN A 17 -1.426 -8.123 4.292 1.00 0.00 H ATOM 240 HB3 GLN A 17 -3.449 -8.267 2.787 1.00 0.00 H ATOM 241 HG3 GLN A 17 -1.837 -8.340 0.689 1.00 0.00 H ATOM 242 HE21 GLN A 17 -3.226 -11.425 1.779 1.00 0.00 H ATOM 243 HE22 GLN A 17 -1.975 -12.415 1.118 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 17 ATOM 1 N LYS A 1 7.924 -3.830 2.849 1.00 0.00 N ATOM 2 CA LYS A 1 8.222 -2.418 2.632 1.00 0.00 C ATOM 3 C LYS A 1 7.071 -1.724 1.909 1.00 0.00 C ATOM 4 O LYS A 1 6.459 -2.295 1.006 1.00 0.00 O ATOM 5 CB LYS A 1 9.511 -2.266 1.823 1.00 0.00 C ATOM 6 CG LYS A 1 10.070 -0.855 1.827 1.00 0.00 C ATOM 7 CD LYS A 1 10.458 -0.405 0.429 1.00 0.00 C ATOM 8 CE LYS A 1 10.694 1.096 0.371 1.00 0.00 C ATOM 9 NZ LYS A 1 10.235 1.681 -0.920 1.00 0.00 N ATOM 10 H1 LYS A 1 7.190 -4.245 2.348 1.00 0.00 H ATOM 11 HA LYS A 1 8.356 -1.955 3.598 1.00 0.00 H ATOM 12 HB3 LYS A 1 9.315 -2.551 0.799 1.00 0.00 H ATOM 13 HG3 LYS A 1 10.944 -0.823 2.460 1.00 0.00 H ATOM 14 HD3 LYS A 1 9.664 -0.663 -0.257 1.00 0.00 H ATOM 15 HE3 LYS A 1 11.750 1.287 0.487 1.00 0.00 H ATOM 16 HZ1 LYS A 1 11.018 1.697 -1.604 1.00 0.00 H ATOM 17 HZ2 LYS A 1 9.899 2.653 -0.773 1.00 0.00 H ATOM 18 HZ3 LYS A 1 9.458 1.113 -1.313 1.00 0.00 H ATOM 19 N ARG A 2 6.785 -0.490 2.312 1.00 0.00 N ATOM 20 CA ARG A 2 5.707 0.281 1.702 1.00 0.00 C ATOM 21 C ARG A 2 6.160 1.708 1.409 1.00 0.00 C ATOM 22 O ARG A 2 7.328 2.051 1.593 1.00 0.00 O ATOM 23 CB ARG A 2 4.483 0.301 2.619 1.00 0.00 C ATOM 24 CG ARG A 2 4.787 0.778 4.031 1.00 0.00 C ATOM 25 CD ARG A 2 5.244 -0.367 4.920 1.00 0.00 C ATOM 26 NE ARG A 2 4.212 -0.763 5.875 1.00 0.00 N ATOM 27 CZ ARG A 2 4.457 -1.477 6.968 1.00 0.00 C ATOM 28 NH1 ARG A 2 5.694 -1.871 7.244 1.00 0.00 N ATOM 29 NH2 ARG A 2 3.466 -1.798 7.789 1.00 0.00 N ATOM 30 H ARG A 2 7.309 -0.089 3.037 1.00 0.00 H ATOM 31 HA ARG A 2 5.442 -0.198 0.772 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.078 -0.698 2.681 1.00 0.00 H ATOM 33 HG3 ARG A 2 3.894 1.216 4.452 1.00 0.00 H ATOM 34 HD3 ARG A 2 6.122 -0.055 5.463 1.00 0.00 H ATOM 35 HE ARG A 2 3.291 -0.483 5.691 1.00 0.00 H ATOM 36 HH11 ARG A 2 6.442 -1.629 6.627 1.00 0.00 H ATOM 37 HH12 ARG A 2 5.876 -2.407 8.069 1.00 0.00 H ATOM 38 HH21 ARG A 2 2.532 -1.504 7.585 1.00 0.00 H ATOM 39 HH22 ARG A 2 3.651 -2.335 8.610 1.00 0.00 H ATOM 40 N GLY A 3 5.227 2.537 0.950 1.00 0.00 N ATOM 41 CA GLY A 3 5.549 3.917 0.638 1.00 0.00 C ATOM 42 C GLY A 3 5.584 4.182 -0.853 1.00 0.00 C ATOM 43 O GLY A 3 6.557 4.728 -1.371 1.00 0.00 O ATOM 44 H GLY A 3 4.313 2.208 0.824 1.00 0.00 H ATOM 45 HA2 GLY A 3 4.808 4.560 1.091 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.518 4.152 1.056 1.00 0.00 H ATOM 47 N ILE A 4 4.519 3.791 -1.547 1.00 0.00 N ATOM 48 CA ILE A 4 4.432 3.988 -2.988 1.00 0.00 C ATOM 49 C ILE A 4 3.211 4.827 -3.355 1.00 0.00 C ATOM 50 O ILE A 4 3.193 5.499 -4.385 1.00 0.00 O ATOM 51 CB ILE A 4 4.362 2.645 -3.737 1.00 0.00 C ATOM 52 CG1 ILE A 4 3.805 1.554 -2.821 1.00 0.00 C ATOM 53 CG2 ILE A 4 5.739 2.256 -4.256 1.00 0.00 C ATOM 54 CD1 ILE A 4 2.359 1.768 -2.435 1.00 0.00 C ATOM 55 H ILE A 4 3.774 3.361 -1.077 1.00 0.00 H ATOM 56 HA ILE A 4 5.322 4.511 -3.307 1.00 0.00 H ATOM 57 HB ILE A 4 3.705 2.765 -4.584 1.00 0.00 H ATOM 58 HG13 ILE A 4 4.391 1.522 -1.913 1.00 0.00 H ATOM 59 HG21 ILE A 4 6.498 2.767 -3.680 1.00 0.00 H ATOM 60 HG22 ILE A 4 5.872 1.189 -4.160 1.00 0.00 H ATOM 61 HG23 ILE A 4 5.825 2.538 -5.295 1.00 0.00 H ATOM 62 HD11 ILE A 4 1.899 2.457 -3.130 1.00 0.00 H ATOM 63 HD12 ILE A 4 1.833 0.825 -2.466 1.00 0.00 H ATOM 64 HD13 ILE A 4 2.308 2.178 -1.437 1.00 0.00 H ATOM 65 N VAL A 5 2.191 4.781 -2.503 1.00 0.00 N ATOM 66 CA VAL A 5 0.967 5.537 -2.735 1.00 0.00 C ATOM 67 C VAL A 5 0.477 6.198 -1.453 1.00 0.00 C ATOM 68 O VAL A 5 0.035 7.346 -1.464 1.00 0.00 O ATOM 69 CB VAL A 5 -0.151 4.637 -3.297 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.405 5.453 -3.573 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.320 3.926 -4.556 1.00 0.00 C ATOM 72 H VAL A 5 2.263 4.225 -1.700 1.00 0.00 H ATOM 73 HA VAL A 5 1.182 6.305 -3.466 1.00 0.00 H ATOM 74 HB VAL A 5 -0.391 3.890 -2.555 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.223 6.122 -4.401 1.00 0.00 H ATOM 76 HG12 VAL A 5 -2.221 4.788 -3.817 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.660 6.028 -2.696 1.00 0.00 H ATOM 78 HG21 VAL A 5 0.393 2.865 -4.366 1.00 0.00 H ATOM 79 HG22 VAL A 5 -0.386 4.101 -5.353 1.00 0.00 H ATOM 80 HG23 VAL A 5 1.289 4.306 -4.844 1.00 0.00 H ATOM 81 N GLU A 6 0.559 5.464 -0.348 1.00 0.00 N ATOM 82 CA GLU A 6 0.123 5.980 0.945 1.00 0.00 C ATOM 83 C GLU A 6 -1.381 6.240 0.947 1.00 0.00 C ATOM 84 O GLU A 6 -1.894 6.957 1.805 1.00 0.00 O ATOM 85 CB GLU A 6 0.875 7.268 1.285 1.00 0.00 C ATOM 86 CG GLU A 6 2.371 7.184 1.030 1.00 0.00 C ATOM 87 CD GLU A 6 3.118 8.405 1.532 1.00 0.00 C ATOM 88 OE1 GLU A 6 2.715 9.533 1.182 1.00 0.00 O ATOM 89 OE2 GLU A 6 4.106 8.230 2.277 1.00 0.00 O ATOM 90 H GLU A 6 0.921 4.555 -0.401 1.00 0.00 H ATOM 91 HA GLU A 6 0.348 5.233 1.693 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.723 7.494 2.330 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.537 7.091 -0.034 1.00 0.00 H ATOM 94 N GLN A 7 -2.079 5.654 -0.019 1.00 0.00 N ATOM 95 CA GLN A 7 -3.523 5.824 -0.129 1.00 0.00 C ATOM 96 C GLN A 7 -4.237 4.481 -0.034 1.00 0.00 C ATOM 97 O GLN A 7 -3.774 3.478 -0.581 1.00 0.00 O ATOM 98 CB GLN A 7 -3.878 6.510 -1.449 1.00 0.00 C ATOM 99 CG GLN A 7 -3.180 7.848 -1.647 1.00 0.00 C ATOM 100 CD GLN A 7 -3.014 8.209 -3.109 1.00 0.00 C ATOM 101 OE1 GLN A 7 -1.932 8.608 -3.542 1.00 0.00 O ATOM 102 NE2 GLN A 7 -4.087 8.069 -3.879 1.00 0.00 N ATOM 103 H GLN A 7 -1.612 5.095 -0.674 1.00 0.00 H ATOM 104 HA GLN A 7 -3.846 6.448 0.689 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.944 6.678 -1.478 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.204 7.799 -1.188 1.00 0.00 H ATOM 107 HE21 GLN A 7 -4.914 7.747 -3.465 1.00 0.00 H ATOM 108 HE22 GLN A 7 -4.007 8.296 -4.827 1.00 0.00 H ATOM 109 N CYS A 8 -5.368 4.466 0.664 1.00 0.00 N ATOM 110 CA CYS A 8 -6.147 3.244 0.833 1.00 0.00 C ATOM 111 C CYS A 8 -7.376 3.253 -0.071 1.00 0.00 C ATOM 112 O CYS A 8 -8.434 2.744 0.298 1.00 0.00 O ATOM 113 CB CYS A 8 -6.574 3.084 2.292 1.00 0.00 C ATOM 114 SG CYS A 8 -5.232 3.309 3.483 1.00 0.00 S ATOM 115 H CYS A 8 -5.687 5.296 1.076 1.00 0.00 H ATOM 116 HA CYS A 8 -5.520 2.411 0.556 1.00 0.00 H ATOM 117 HB3 CYS A 8 -6.978 2.093 2.435 1.00 0.00 H ATOM 118 HG CYS A 8 -5.672 2.926 4.672 1.00 0.00 H ATOM 119 N CYS A 9 -7.228 3.837 -1.255 1.00 0.00 N ATOM 120 CA CYS A 9 -8.326 3.915 -2.211 1.00 0.00 C ATOM 121 C CYS A 9 -7.970 3.197 -3.509 1.00 0.00 C ATOM 122 O CYS A 9 -8.845 2.683 -4.207 1.00 0.00 O ATOM 123 CB CYS A 9 -8.674 5.377 -2.502 1.00 0.00 C ATOM 124 SG CYS A 9 -9.955 6.059 -1.425 1.00 0.00 S ATOM 125 H CYS A 9 -6.360 4.225 -1.492 1.00 0.00 H ATOM 126 HA CYS A 9 -9.184 3.432 -1.770 1.00 0.00 H ATOM 127 HB3 CYS A 9 -9.020 5.460 -3.522 1.00 0.00 H ATOM 128 HG CYS A 9 -10.511 7.086 -2.051 1.00 0.00 H ATOM 129 N THR A 10 -6.680 3.167 -3.828 1.00 0.00 N ATOM 130 CA THR A 10 -6.208 2.514 -5.043 1.00 0.00 C ATOM 131 C THR A 10 -6.194 0.998 -4.882 1.00 0.00 C ATOM 132 O THR A 10 -7.047 0.300 -5.430 1.00 0.00 O ATOM 133 CB THR A 10 -4.794 2.993 -5.424 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.804 4.404 -5.667 1.00 0.00 O ATOM 135 CG2 THR A 10 -4.292 2.263 -6.661 1.00 0.00 C ATOM 136 H THR A 10 -6.032 3.594 -3.232 1.00 0.00 H ATOM 137 HA THR A 10 -6.882 2.776 -5.846 1.00 0.00 H ATOM 138 HB THR A 10 -4.125 2.780 -4.603 1.00 0.00 H ATOM 139 HG1 THR A 10 -4.620 4.870 -4.849 1.00 0.00 H ATOM 140 HG21 THR A 10 -3.850 2.973 -7.342 1.00 0.00 H ATOM 141 HG22 THR A 10 -5.119 1.766 -7.146 1.00 0.00 H ATOM 142 HG23 THR A 10 -3.552 1.531 -6.370 1.00 0.00 H ATOM 143 N SER A 11 -5.220 0.497 -4.129 1.00 0.00 N ATOM 144 CA SER A 11 -5.094 -0.937 -3.899 1.00 0.00 C ATOM 145 C SER A 11 -4.085 -1.223 -2.793 1.00 0.00 C ATOM 146 O SER A 11 -3.226 -2.096 -2.929 1.00 0.00 O ATOM 147 CB SER A 11 -4.670 -1.646 -5.188 1.00 0.00 C ATOM 148 OG SER A 11 -5.785 -1.887 -6.029 1.00 0.00 O ATOM 149 H SER A 11 -4.571 1.106 -3.720 1.00 0.00 H ATOM 150 HA SER A 11 -6.061 -1.311 -3.595 1.00 0.00 H ATOM 151 HB3 SER A 11 -4.210 -2.592 -4.940 1.00 0.00 H ATOM 152 HG SER A 11 -5.485 -2.005 -6.932 1.00 0.00 H ATOM 153 N ILE A 12 -4.194 -0.482 -1.694 1.00 0.00 N ATOM 154 CA ILE A 12 -3.292 -0.656 -0.564 1.00 0.00 C ATOM 155 C ILE A 12 -3.268 -2.107 -0.098 1.00 0.00 C ATOM 156 O ILE A 12 -2.270 -2.578 0.452 1.00 0.00 O ATOM 157 CB ILE A 12 -3.694 0.243 0.621 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.528 0.385 1.601 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.920 -0.321 1.324 1.00 0.00 C ATOM 160 CD1 ILE A 12 -2.082 1.814 1.808 1.00 0.00 C ATOM 161 H ILE A 12 -4.899 0.197 -1.644 1.00 0.00 H ATOM 162 HA ILE A 12 -2.299 -0.374 -0.882 1.00 0.00 H ATOM 163 HB ILE A 12 -3.949 1.218 0.233 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.684 -0.177 1.228 1.00 0.00 H ATOM 165 HG21 ILE A 12 -5.456 0.480 1.810 1.00 0.00 H ATOM 166 HG22 ILE A 12 -5.563 -0.795 0.598 1.00 0.00 H ATOM 167 HG23 ILE A 12 -4.610 -1.047 2.060 1.00 0.00 H ATOM 168 HD11 ILE A 12 -1.760 2.231 0.863 1.00 0.00 H ATOM 169 HD12 ILE A 12 -2.905 2.397 2.195 1.00 0.00 H ATOM 170 HD13 ILE A 12 -1.261 1.839 2.509 1.00 0.00 H ATOM 171 N CYS A 13 -4.370 -2.814 -0.322 1.00 0.00 N ATOM 172 CA CYS A 13 -4.476 -4.215 0.072 1.00 0.00 C ATOM 173 C CYS A 13 -3.412 -5.057 -0.624 1.00 0.00 C ATOM 174 O CYS A 13 -3.087 -6.158 -0.177 1.00 0.00 O ATOM 175 CB CYS A 13 -5.867 -4.756 -0.257 1.00 0.00 C ATOM 176 SG CYS A 13 -7.005 -4.769 1.149 1.00 0.00 S ATOM 177 H CYS A 13 -5.132 -2.385 -0.765 1.00 0.00 H ATOM 178 HA CYS A 13 -4.319 -4.270 1.139 1.00 0.00 H ATOM 179 HB3 CYS A 13 -5.776 -5.769 -0.616 1.00 0.00 H ATOM 180 HG CYS A 13 -6.666 -5.774 1.941 1.00 0.00 H ATOM 181 N SER A 14 -2.874 -4.534 -1.721 1.00 0.00 N ATOM 182 CA SER A 14 -1.849 -5.241 -2.482 1.00 0.00 C ATOM 183 C SER A 14 -0.496 -5.153 -1.784 1.00 0.00 C ATOM 184 O SER A 14 0.419 -5.919 -2.083 1.00 0.00 O ATOM 185 CB SER A 14 -1.747 -4.664 -3.895 1.00 0.00 C ATOM 186 OG SER A 14 -0.632 -5.202 -4.585 1.00 0.00 O ATOM 187 H SER A 14 -3.174 -3.653 -2.026 1.00 0.00 H ATOM 188 HA SER A 14 -2.142 -6.278 -2.547 1.00 0.00 H ATOM 189 HB3 SER A 14 -1.634 -3.591 -3.836 1.00 0.00 H ATOM 190 HG SER A 14 0.007 -4.506 -4.753 1.00 0.00 H ATOM 191 N LEU A 15 -0.377 -4.213 -0.854 1.00 0.00 N ATOM 192 CA LEU A 15 0.865 -4.022 -0.112 1.00 0.00 C ATOM 193 C LEU A 15 0.640 -4.221 1.384 1.00 0.00 C ATOM 194 O LEU A 15 1.584 -4.183 2.174 1.00 0.00 O ATOM 195 CB LEU A 15 1.430 -2.626 -0.374 1.00 0.00 C ATOM 196 CG LEU A 15 0.854 -1.497 0.482 1.00 0.00 C ATOM 197 CD1 LEU A 15 1.674 -1.317 1.749 1.00 0.00 C ATOM 198 CD2 LEU A 15 0.803 -0.199 -0.311 1.00 0.00 C ATOM 199 H LEU A 15 -1.143 -3.632 -0.659 1.00 0.00 H ATOM 200 HA LEU A 15 1.572 -4.759 -0.459 1.00 0.00 H ATOM 201 HB3 LEU A 15 1.243 -2.384 -1.411 1.00 0.00 H ATOM 202 HG LEU A 15 -0.155 -1.753 0.772 1.00 0.00 H ATOM 203 HD11 LEU A 15 1.649 -0.281 2.051 1.00 0.00 H ATOM 204 HD12 LEU A 15 2.696 -1.613 1.563 1.00 0.00 H ATOM 205 HD13 LEU A 15 1.261 -1.932 2.536 1.00 0.00 H ATOM 206 HD21 LEU A 15 1.805 0.180 -0.447 1.00 0.00 H ATOM 207 HD22 LEU A 15 0.213 0.528 0.227 1.00 0.00 H ATOM 208 HD23 LEU A 15 0.354 -0.384 -1.276 1.00 0.00 H ATOM 209 N TYR A 16 -0.614 -4.432 1.766 1.00 0.00 N ATOM 210 CA TYR A 16 -0.961 -4.636 3.168 1.00 0.00 C ATOM 211 C TYR A 16 -0.092 -5.723 3.792 1.00 0.00 C ATOM 212 O TYR A 16 0.351 -5.598 4.933 1.00 0.00 O ATOM 213 CB TYR A 16 -2.439 -5.011 3.298 1.00 0.00 C ATOM 214 CG TYR A 16 -3.229 -4.066 4.173 1.00 0.00 C ATOM 215 CD1 TYR A 16 -3.249 -4.218 5.554 1.00 0.00 C ATOM 216 CD2 TYR A 16 -3.956 -3.019 3.619 1.00 0.00 C ATOM 217 CE1 TYR A 16 -3.970 -3.356 6.359 1.00 0.00 C ATOM 218 CE2 TYR A 16 -4.679 -2.151 4.415 1.00 0.00 C ATOM 219 CZ TYR A 16 -4.683 -2.325 5.784 1.00 0.00 C ATOM 220 OH TYR A 16 -5.402 -1.463 6.581 1.00 0.00 O ATOM 221 H TYR A 16 -1.323 -4.452 1.091 1.00 0.00 H ATOM 222 HA TYR A 16 -0.789 -3.708 3.691 1.00 0.00 H ATOM 223 HB3 TYR A 16 -2.515 -6.001 3.726 1.00 0.00 H ATOM 224 HD1 TYR A 16 -2.689 -5.027 6.001 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.952 -2.887 2.547 1.00 0.00 H ATOM 226 HE1 TYR A 16 -3.973 -3.490 7.430 1.00 0.00 H ATOM 227 HE2 TYR A 16 -5.237 -1.343 3.967 1.00 0.00 H ATOM 228 HH TYR A 16 -5.630 -0.677 6.077 1.00 0.00 H ATOM 229 N GLN A 17 0.149 -6.789 3.035 1.00 0.00 N ATOM 230 CA GLN A 17 0.965 -7.897 3.513 1.00 0.00 C ATOM 231 C GLN A 17 0.435 -8.429 4.843 1.00 0.00 C ATOM 232 O GLN A 17 -0.762 -8.674 4.991 1.00 0.00 O ATOM 233 CB GLN A 17 2.420 -7.455 3.670 1.00 0.00 C ATOM 234 CG GLN A 17 3.162 -7.324 2.351 1.00 0.00 C ATOM 235 CD GLN A 17 4.227 -8.387 2.170 1.00 0.00 C ATOM 236 OE1 GLN A 17 5.399 -8.166 2.479 1.00 0.00 O ATOM 237 NE2 GLN A 17 3.825 -9.550 1.672 1.00 0.00 N ATOM 238 H GLN A 17 -0.233 -6.830 2.134 1.00 0.00 H ATOM 239 HA GLN A 17 0.915 -8.687 2.779 1.00 0.00 H ATOM 240 HB3 GLN A 17 2.940 -8.181 4.280 1.00 0.00 H ATOM 241 HG3 GLN A 17 3.634 -6.353 2.313 1.00 0.00 H ATOM 242 HE21 GLN A 17 2.876 -9.654 1.448 1.00 0.00 H ATOM 243 HE22 GLN A 17 4.493 -10.254 1.544 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 18 ATOM 1 N LYS A 1 7.453 -0.261 5.817 1.00 0.00 N ATOM 2 CA LYS A 1 8.650 0.019 5.033 1.00 0.00 C ATOM 3 C LYS A 1 8.289 0.337 3.584 1.00 0.00 C ATOM 4 O LYS A 1 9.091 0.126 2.675 1.00 0.00 O ATOM 5 CB LYS A 1 9.607 -1.175 5.080 1.00 0.00 C ATOM 6 CG LYS A 1 9.105 -2.387 4.314 1.00 0.00 C ATOM 7 CD LYS A 1 9.135 -3.639 5.174 1.00 0.00 C ATOM 8 CE LYS A 1 8.333 -4.768 4.542 1.00 0.00 C ATOM 9 NZ LYS A 1 9.198 -5.690 3.756 1.00 0.00 N ATOM 10 H1 LYS A 1 6.722 -0.769 5.408 1.00 0.00 H ATOM 11 HA LYS A 1 9.139 0.878 5.467 1.00 0.00 H ATOM 12 HB3 LYS A 1 9.755 -1.462 6.111 1.00 0.00 H ATOM 13 HG3 LYS A 1 9.734 -2.541 3.448 1.00 0.00 H ATOM 14 HD3 LYS A 1 8.714 -3.410 6.144 1.00 0.00 H ATOM 15 HE3 LYS A 1 7.589 -4.339 3.888 1.00 0.00 H ATOM 16 HZ1 LYS A 1 10.188 -5.598 4.059 1.00 0.00 H ATOM 17 HZ2 LYS A 1 9.133 -5.465 2.743 1.00 0.00 H ATOM 18 HZ3 LYS A 1 8.894 -6.675 3.900 1.00 0.00 H ATOM 19 N ARG A 2 7.079 0.846 3.381 1.00 0.00 N ATOM 20 CA ARG A 2 6.613 1.193 2.043 1.00 0.00 C ATOM 21 C ARG A 2 6.654 2.705 1.829 1.00 0.00 C ATOM 22 O ARG A 2 7.211 3.441 2.641 1.00 0.00 O ATOM 23 CB ARG A 2 5.190 0.676 1.825 1.00 0.00 C ATOM 24 CG ARG A 2 5.028 -0.805 2.127 1.00 0.00 C ATOM 25 CD ARG A 2 4.699 -1.044 3.592 1.00 0.00 C ATOM 26 NE ARG A 2 3.311 -1.456 3.779 1.00 0.00 N ATOM 27 CZ ARG A 2 2.873 -2.093 4.861 1.00 0.00 C ATOM 28 NH1 ARG A 2 3.711 -2.389 5.844 1.00 0.00 N ATOM 29 NH2 ARG A 2 1.594 -2.435 4.959 1.00 0.00 N ATOM 30 H ARG A 2 6.484 0.991 4.146 1.00 0.00 H ATOM 31 HA ARG A 2 7.272 0.724 1.329 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.911 0.844 0.796 1.00 0.00 H ATOM 33 HG3 ARG A 2 5.950 -1.314 1.886 1.00 0.00 H ATOM 34 HD3 ARG A 2 4.872 -0.130 4.138 1.00 0.00 H ATOM 35 HE ARG A 2 2.675 -1.246 3.065 1.00 0.00 H ATOM 36 HH11 ARG A 2 4.674 -2.132 5.773 1.00 0.00 H ATOM 37 HH12 ARG A 2 3.378 -2.867 6.658 1.00 0.00 H ATOM 38 HH21 ARG A 2 0.960 -2.212 4.219 1.00 0.00 H ATOM 39 HH22 ARG A 2 1.266 -2.913 5.772 1.00 0.00 H ATOM 40 N GLY A 3 6.058 3.157 0.730 1.00 0.00 N ATOM 41 CA GLY A 3 6.039 4.577 0.428 1.00 0.00 C ATOM 42 C GLY A 3 5.755 4.855 -1.035 1.00 0.00 C ATOM 43 O GLY A 3 6.368 5.737 -1.635 1.00 0.00 O ATOM 44 H GLY A 3 5.629 2.523 0.120 1.00 0.00 H ATOM 45 HA2 GLY A 3 5.276 5.050 1.029 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.998 5.001 0.684 1.00 0.00 H ATOM 47 N ILE A 4 4.825 4.100 -1.609 1.00 0.00 N ATOM 48 CA ILE A 4 4.462 4.270 -3.011 1.00 0.00 C ATOM 49 C ILE A 4 3.289 5.233 -3.162 1.00 0.00 C ATOM 50 O ILE A 4 3.409 6.279 -3.800 1.00 0.00 O ATOM 51 CB ILE A 4 4.096 2.924 -3.665 1.00 0.00 C ATOM 52 CG1 ILE A 4 5.079 1.836 -3.228 1.00 0.00 C ATOM 53 CG2 ILE A 4 4.083 3.057 -5.179 1.00 0.00 C ATOM 54 CD1 ILE A 4 4.629 1.072 -2.003 1.00 0.00 C ATOM 55 H ILE A 4 4.371 3.414 -1.078 1.00 0.00 H ATOM 56 HA ILE A 4 5.319 4.678 -3.529 1.00 0.00 H ATOM 57 HB ILE A 4 3.102 2.652 -3.343 1.00 0.00 H ATOM 58 HG13 ILE A 4 6.032 2.292 -3.005 1.00 0.00 H ATOM 59 HG21 ILE A 4 4.378 4.060 -5.456 1.00 0.00 H ATOM 60 HG22 ILE A 4 4.776 2.349 -5.608 1.00 0.00 H ATOM 61 HG23 ILE A 4 3.089 2.860 -5.551 1.00 0.00 H ATOM 62 HD11 ILE A 4 3.816 1.601 -1.527 1.00 0.00 H ATOM 63 HD12 ILE A 4 4.295 0.087 -2.293 1.00 0.00 H ATOM 64 HD13 ILE A 4 5.453 0.983 -1.310 1.00 0.00 H ATOM 65 N VAL A 5 2.155 4.872 -2.572 1.00 0.00 N ATOM 66 CA VAL A 5 0.959 5.704 -2.640 1.00 0.00 C ATOM 67 C VAL A 5 0.569 6.218 -1.258 1.00 0.00 C ATOM 68 O VAL A 5 0.068 7.333 -1.119 1.00 0.00 O ATOM 69 CB VAL A 5 -0.230 4.933 -3.242 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.367 5.884 -3.579 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.210 4.155 -4.473 1.00 0.00 C ATOM 72 H VAL A 5 2.120 4.025 -2.079 1.00 0.00 H ATOM 73 HA VAL A 5 1.176 6.547 -3.279 1.00 0.00 H ATOM 74 HB VAL A 5 -0.586 4.228 -2.505 1.00 0.00 H ATOM 75 HG11 VAL A 5 -1.279 6.197 -4.610 1.00 0.00 H ATOM 76 HG12 VAL A 5 -2.312 5.381 -3.435 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.317 6.749 -2.936 1.00 0.00 H ATOM 78 HG21 VAL A 5 -0.632 3.614 -4.877 1.00 0.00 H ATOM 79 HG22 VAL A 5 0.588 4.841 -5.216 1.00 0.00 H ATOM 80 HG23 VAL A 5 0.988 3.457 -4.200 1.00 0.00 H ATOM 81 N GLU A 6 0.806 5.397 -0.239 1.00 0.00 N ATOM 82 CA GLU A 6 0.478 5.770 1.133 1.00 0.00 C ATOM 83 C GLU A 6 -1.020 6.013 1.288 1.00 0.00 C ATOM 84 O GLU A 6 -1.459 6.653 2.242 1.00 0.00 O ATOM 85 CB GLU A 6 1.254 7.024 1.542 1.00 0.00 C ATOM 86 CG GLU A 6 2.738 6.952 1.224 1.00 0.00 C ATOM 87 CD GLU A 6 3.608 7.311 2.414 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.743 6.469 3.325 1.00 0.00 O ATOM 89 OE2 GLU A 6 4.154 8.435 2.432 1.00 0.00 O ATOM 90 H GLU A 6 1.208 4.522 -0.414 1.00 0.00 H ATOM 91 HA GLU A 6 0.768 4.953 1.776 1.00 0.00 H ATOM 92 HB3 GLU A 6 1.143 7.168 2.608 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.954 7.639 0.419 1.00 0.00 H ATOM 94 N GLN A 7 -1.798 5.495 0.342 1.00 0.00 N ATOM 95 CA GLN A 7 -3.246 5.656 0.373 1.00 0.00 C ATOM 96 C GLN A 7 -3.945 4.301 0.432 1.00 0.00 C ATOM 97 O GLN A 7 -3.324 3.262 0.198 1.00 0.00 O ATOM 98 CB GLN A 7 -3.720 6.434 -0.855 1.00 0.00 C ATOM 99 CG GLN A 7 -3.284 7.891 -0.858 1.00 0.00 C ATOM 100 CD GLN A 7 -4.037 8.723 -1.878 1.00 0.00 C ATOM 101 OE1 GLN A 7 -4.686 9.710 -1.533 1.00 0.00 O ATOM 102 NE2 GLN A 7 -3.952 8.327 -3.144 1.00 0.00 N ATOM 103 H GLN A 7 -1.389 4.993 -0.392 1.00 0.00 H ATOM 104 HA GLN A 7 -3.500 6.215 1.263 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.801 6.405 -0.891 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.230 7.935 -1.084 1.00 0.00 H ATOM 107 HE21 GLN A 7 -3.417 7.530 -3.343 1.00 0.00 H ATOM 108 HE22 GLN A 7 -4.428 8.846 -3.823 1.00 0.00 H ATOM 109 N CYS A 8 -5.235 4.317 0.746 1.00 0.00 N ATOM 110 CA CYS A 8 -6.017 3.090 0.835 1.00 0.00 C ATOM 111 C CYS A 8 -7.177 3.110 -0.155 1.00 0.00 C ATOM 112 O CYS A 8 -8.262 2.604 0.134 1.00 0.00 O ATOM 113 CB CYS A 8 -6.547 2.902 2.256 1.00 0.00 C ATOM 114 SG CYS A 8 -7.343 4.370 2.949 1.00 0.00 S ATOM 115 H CYS A 8 -5.673 5.177 0.920 1.00 0.00 H ATOM 116 HA CYS A 8 -5.365 2.265 0.591 1.00 0.00 H ATOM 117 HB3 CYS A 8 -5.727 2.634 2.906 1.00 0.00 H ATOM 118 HG CYS A 8 -7.291 4.281 4.268 1.00 0.00 H ATOM 119 N CYS A 9 -6.941 3.698 -1.322 1.00 0.00 N ATOM 120 CA CYS A 9 -7.967 3.786 -2.355 1.00 0.00 C ATOM 121 C CYS A 9 -7.525 3.063 -3.623 1.00 0.00 C ATOM 122 O CYS A 9 -8.354 2.629 -4.425 1.00 0.00 O ATOM 123 CB CYS A 9 -8.279 5.250 -2.670 1.00 0.00 C ATOM 124 SG CYS A 9 -9.846 5.836 -1.983 1.00 0.00 S ATOM 125 H CYS A 9 -6.056 4.083 -1.495 1.00 0.00 H ATOM 126 HA CYS A 9 -8.860 3.310 -1.977 1.00 0.00 H ATOM 127 HB3 CYS A 9 -8.319 5.379 -3.741 1.00 0.00 H ATOM 128 HG CYS A 9 -10.504 4.787 -1.515 1.00 0.00 H ATOM 129 N THR A 10 -6.214 2.938 -3.801 1.00 0.00 N ATOM 130 CA THR A 10 -5.662 2.271 -4.973 1.00 0.00 C ATOM 131 C THR A 10 -5.424 0.789 -4.701 1.00 0.00 C ATOM 132 O THR A 10 -4.390 0.239 -5.077 1.00 0.00 O ATOM 133 CB THR A 10 -4.338 2.920 -5.417 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.369 4.327 -5.155 1.00 0.00 O ATOM 135 CG2 THR A 10 -4.087 2.679 -6.898 1.00 0.00 C ATOM 136 H THR A 10 -5.605 3.305 -3.128 1.00 0.00 H ATOM 137 HA THR A 10 -6.374 2.368 -5.779 1.00 0.00 H ATOM 138 HB THR A 10 -3.530 2.474 -4.854 1.00 0.00 H ATOM 139 HG1 THR A 10 -5.240 4.672 -5.371 1.00 0.00 H ATOM 140 HG21 THR A 10 -4.467 1.707 -7.173 1.00 0.00 H ATOM 141 HG22 THR A 10 -3.026 2.721 -7.096 1.00 0.00 H ATOM 142 HG23 THR A 10 -4.591 3.439 -7.477 1.00 0.00 H ATOM 143 N SER A 11 -6.386 0.150 -4.044 1.00 0.00 N ATOM 144 CA SER A 11 -6.280 -1.267 -3.718 1.00 0.00 C ATOM 145 C SER A 11 -4.953 -1.565 -3.025 1.00 0.00 C ATOM 146 O SER A 11 -4.325 -2.594 -3.281 1.00 0.00 O ATOM 147 CB SER A 11 -6.407 -2.115 -4.986 1.00 0.00 C ATOM 148 OG SER A 11 -7.233 -3.244 -4.763 1.00 0.00 O ATOM 149 H SER A 11 -7.187 0.646 -3.770 1.00 0.00 H ATOM 150 HA SER A 11 -7.087 -1.515 -3.047 1.00 0.00 H ATOM 151 HB3 SER A 11 -5.428 -2.453 -5.290 1.00 0.00 H ATOM 152 HG SER A 11 -8.151 -3.005 -4.910 1.00 0.00 H ATOM 153 N ILE A 12 -4.534 -0.661 -2.148 1.00 0.00 N ATOM 154 CA ILE A 12 -3.284 -0.827 -1.417 1.00 0.00 C ATOM 155 C ILE A 12 -3.263 -2.150 -0.658 1.00 0.00 C ATOM 156 O ILE A 12 -2.196 -2.691 -0.361 1.00 0.00 O ATOM 157 CB ILE A 12 -3.056 0.326 -0.423 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.574 0.422 -0.052 1.00 0.00 C ATOM 159 CG2 ILE A 12 -3.908 0.129 0.823 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.940 1.742 -0.432 1.00 0.00 C ATOM 161 H ILE A 12 -5.079 0.138 -1.988 1.00 0.00 H ATOM 162 HA ILE A 12 -2.476 -0.823 -2.134 1.00 0.00 H ATOM 163 HB ILE A 12 -3.361 1.247 -0.895 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.032 -0.364 -0.556 1.00 0.00 H ATOM 165 HG21 ILE A 12 -3.835 1.005 1.450 1.00 0.00 H ATOM 166 HG22 ILE A 12 -4.936 -0.024 0.534 1.00 0.00 H ATOM 167 HG23 ILE A 12 -3.554 -0.734 1.368 1.00 0.00 H ATOM 168 HD11 ILE A 12 -1.163 2.480 0.327 1.00 0.00 H ATOM 169 HD12 ILE A 12 0.130 1.621 -0.508 1.00 0.00 H ATOM 170 HD13 ILE A 12 -1.336 2.072 -1.380 1.00 0.00 H ATOM 171 N CYS A 13 -4.447 -2.667 -0.348 1.00 0.00 N ATOM 172 CA CYS A 13 -4.566 -3.928 0.375 1.00 0.00 C ATOM 173 C CYS A 13 -3.737 -5.019 -0.296 1.00 0.00 C ATOM 174 O CYS A 13 -3.244 -5.931 0.367 1.00 0.00 O ATOM 175 CB CYS A 13 -6.030 -4.358 0.454 1.00 0.00 C ATOM 176 SG CYS A 13 -6.821 -4.583 -1.155 1.00 0.00 S ATOM 177 H CYS A 13 -5.261 -2.189 -0.612 1.00 0.00 H ATOM 178 HA CYS A 13 -4.190 -3.771 1.375 1.00 0.00 H ATOM 179 HB3 CYS A 13 -6.590 -3.608 0.996 1.00 0.00 H ATOM 180 HG CYS A 13 -7.465 -3.464 -1.455 1.00 0.00 H ATOM 181 N SER A 14 -3.591 -4.918 -1.613 1.00 0.00 N ATOM 182 CA SER A 14 -2.827 -5.900 -2.374 1.00 0.00 C ATOM 183 C SER A 14 -1.406 -6.023 -1.830 1.00 0.00 C ATOM 184 O SER A 14 -0.764 -7.065 -1.969 1.00 0.00 O ATOM 185 CB SER A 14 -2.787 -5.512 -3.852 1.00 0.00 C ATOM 186 OG SER A 14 -1.525 -5.807 -4.424 1.00 0.00 O ATOM 187 H SER A 14 -4.009 -4.167 -2.083 1.00 0.00 H ATOM 188 HA SER A 14 -3.322 -6.854 -2.274 1.00 0.00 H ATOM 189 HB3 SER A 14 -2.973 -4.451 -3.949 1.00 0.00 H ATOM 190 HG SER A 14 -1.530 -6.703 -4.767 1.00 0.00 H ATOM 191 N LEU A 15 -0.922 -4.953 -1.211 1.00 0.00 N ATOM 192 CA LEU A 15 0.423 -4.939 -0.645 1.00 0.00 C ATOM 193 C LEU A 15 0.376 -4.754 0.868 1.00 0.00 C ATOM 194 O LEU A 15 1.344 -5.044 1.570 1.00 0.00 O ATOM 195 CB LEU A 15 1.254 -3.823 -1.281 1.00 0.00 C ATOM 196 CG LEU A 15 1.082 -2.431 -0.675 1.00 0.00 C ATOM 197 CD1 LEU A 15 2.089 -2.208 0.444 1.00 0.00 C ATOM 198 CD2 LEU A 15 1.228 -1.361 -1.747 1.00 0.00 C ATOM 199 H LEU A 15 -1.481 -4.153 -1.130 1.00 0.00 H ATOM 200 HA LEU A 15 0.884 -5.891 -0.865 1.00 0.00 H ATOM 201 HB3 LEU A 15 0.984 -3.766 -2.327 1.00 0.00 H ATOM 202 HG LEU A 15 0.091 -2.348 -0.252 1.00 0.00 H ATOM 203 HD11 LEU A 15 1.569 -2.132 1.386 1.00 0.00 H ATOM 204 HD12 LEU A 15 2.636 -1.295 0.260 1.00 0.00 H ATOM 205 HD13 LEU A 15 2.778 -3.039 0.478 1.00 0.00 H ATOM 206 HD21 LEU A 15 0.786 -0.438 -1.399 1.00 0.00 H ATOM 207 HD22 LEU A 15 0.727 -1.683 -2.647 1.00 0.00 H ATOM 208 HD23 LEU A 15 2.277 -1.201 -1.955 1.00 0.00 H ATOM 209 N TYR A 16 -0.757 -4.271 1.364 1.00 0.00 N ATOM 210 CA TYR A 16 -0.932 -4.047 2.794 1.00 0.00 C ATOM 211 C TYR A 16 -0.879 -5.363 3.563 1.00 0.00 C ATOM 212 O TYR A 16 -0.261 -5.451 4.623 1.00 0.00 O ATOM 213 CB TYR A 16 -2.263 -3.342 3.063 1.00 0.00 C ATOM 214 CG TYR A 16 -2.234 -2.436 4.274 1.00 0.00 C ATOM 215 CD1 TYR A 16 -1.931 -2.938 5.534 1.00 0.00 C ATOM 216 CD2 TYR A 16 -2.510 -1.080 4.159 1.00 0.00 C ATOM 217 CE1 TYR A 16 -1.904 -2.115 6.643 1.00 0.00 C ATOM 218 CE2 TYR A 16 -2.484 -0.249 5.263 1.00 0.00 C ATOM 219 CZ TYR A 16 -2.182 -0.771 6.502 1.00 0.00 C ATOM 220 OH TYR A 16 -2.156 0.052 7.604 1.00 0.00 O ATOM 221 H TYR A 16 -1.496 -4.058 0.756 1.00 0.00 H ATOM 222 HA TYR A 16 -0.124 -3.414 3.132 1.00 0.00 H ATOM 223 HB3 TYR A 16 -3.030 -4.084 3.222 1.00 0.00 H ATOM 224 HD1 TYR A 16 -1.714 -3.991 5.641 1.00 0.00 H ATOM 225 HD2 TYR A 16 -2.748 -0.674 3.187 1.00 0.00 H ATOM 226 HE1 TYR A 16 -1.666 -2.523 7.614 1.00 0.00 H ATOM 227 HE2 TYR A 16 -2.702 0.804 5.152 1.00 0.00 H ATOM 228 HH TYR A 16 -1.862 -0.448 8.369 1.00 0.00 H ATOM 229 N GLN A 17 -1.530 -6.387 3.018 1.00 0.00 N ATOM 230 CA GLN A 17 -1.556 -7.699 3.652 1.00 0.00 C ATOM 231 C GLN A 17 -1.642 -7.569 5.170 1.00 0.00 C ATOM 232 O GLN A 17 -2.487 -6.841 5.694 1.00 0.00 O ATOM 233 CB GLN A 17 -0.310 -8.500 3.266 1.00 0.00 C ATOM 234 CG GLN A 17 0.992 -7.761 3.528 1.00 0.00 C ATOM 235 CD GLN A 17 2.214 -8.594 3.187 1.00 0.00 C ATOM 236 OE1 GLN A 17 2.655 -8.626 2.039 1.00 0.00 O ATOM 237 NE2 GLN A 17 2.765 -9.271 4.187 1.00 0.00 N ATOM 238 H GLN A 17 -2.002 -6.255 2.171 1.00 0.00 H ATOM 239 HA GLN A 17 -2.432 -8.221 3.297 1.00 0.00 H ATOM 240 HB3 GLN A 17 -0.360 -8.737 2.214 1.00 0.00 H ATOM 241 HG3 GLN A 17 1.037 -7.495 4.574 1.00 0.00 H ATOM 242 HE21 GLN A 17 2.358 -9.198 5.076 1.00 0.00 H ATOM 243 HE22 GLN A 17 3.555 -9.818 3.995 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 19 ATOM 1 N LYS A 1 9.788 -1.528 4.698 1.00 0.00 N ATOM 2 CA LYS A 1 9.393 -0.124 4.722 1.00 0.00 C ATOM 3 C LYS A 1 8.663 0.258 3.439 1.00 0.00 C ATOM 4 O LYS A 1 9.287 0.491 2.404 1.00 0.00 O ATOM 5 CB LYS A 1 10.622 0.770 4.907 1.00 0.00 C ATOM 6 CG LYS A 1 10.291 2.251 4.978 1.00 0.00 C ATOM 7 CD LYS A 1 11.133 3.056 4.002 1.00 0.00 C ATOM 8 CE LYS A 1 11.229 4.516 4.423 1.00 0.00 C ATOM 9 NZ LYS A 1 12.575 5.088 4.138 1.00 0.00 N ATOM 10 H1 LYS A 1 10.646 -1.775 4.293 1.00 0.00 H ATOM 11 HA LYS A 1 8.726 0.019 5.559 1.00 0.00 H ATOM 12 HB3 LYS A 1 11.296 0.613 4.076 1.00 0.00 H ATOM 13 HG3 LYS A 1 10.482 2.605 5.981 1.00 0.00 H ATOM 14 HD3 LYS A 1 10.682 3.002 3.022 1.00 0.00 H ATOM 15 HE3 LYS A 1 11.035 4.585 5.484 1.00 0.00 H ATOM 16 HZ1 LYS A 1 13.261 4.755 4.844 1.00 0.00 H ATOM 17 HZ2 LYS A 1 12.535 6.126 4.169 1.00 0.00 H ATOM 18 HZ3 LYS A 1 12.894 4.794 3.193 1.00 0.00 H ATOM 19 N ARG A 2 7.338 0.321 3.515 1.00 0.00 N ATOM 20 CA ARG A 2 6.523 0.674 2.357 1.00 0.00 C ATOM 21 C ARG A 2 6.537 2.183 2.124 1.00 0.00 C ATOM 22 O ARG A 2 7.297 2.912 2.759 1.00 0.00 O ATOM 23 CB ARG A 2 5.084 0.192 2.555 1.00 0.00 C ATOM 24 CG ARG A 2 4.982 -1.135 3.288 1.00 0.00 C ATOM 25 CD ARG A 2 5.774 -2.225 2.580 1.00 0.00 C ATOM 26 NE ARG A 2 4.904 -3.235 1.983 1.00 0.00 N ATOM 27 CZ ARG A 2 5.307 -4.463 1.677 1.00 0.00 C ATOM 28 NH1 ARG A 2 6.560 -4.831 1.909 1.00 0.00 N ATOM 29 NH2 ARG A 2 4.457 -5.326 1.137 1.00 0.00 N ATOM 30 H ARG A 2 6.897 0.125 4.367 1.00 0.00 H ATOM 31 HA ARG A 2 6.943 0.185 1.492 1.00 0.00 H ATOM 32 HB3 ARG A 2 4.619 0.081 1.587 1.00 0.00 H ATOM 33 HG3 ARG A 2 3.945 -1.431 3.335 1.00 0.00 H ATOM 34 HD3 ARG A 2 6.426 -2.702 3.297 1.00 0.00 H ATOM 35 HE ARG A 2 3.975 -2.984 1.804 1.00 0.00 H ATOM 36 HH11 ARG A 2 7.203 -4.182 2.315 1.00 0.00 H ATOM 37 HH12 ARG A 2 6.860 -5.756 1.678 1.00 0.00 H ATOM 38 HH21 ARG A 2 3.511 -5.053 0.962 1.00 0.00 H ATOM 39 HH22 ARG A 2 4.760 -6.250 0.906 1.00 0.00 H ATOM 40 N GLY A 3 5.689 2.642 1.208 1.00 0.00 N ATOM 41 CA GLY A 3 5.621 4.060 0.906 1.00 0.00 C ATOM 42 C GLY A 3 5.547 4.332 -0.584 1.00 0.00 C ATOM 43 O GLY A 3 6.192 5.253 -1.085 1.00 0.00 O ATOM 44 H GLY A 3 5.106 2.014 0.733 1.00 0.00 H ATOM 45 HA2 GLY A 3 4.746 4.476 1.382 1.00 0.00 H ATOM 46 HA3 GLY A 3 6.500 4.544 1.306 1.00 0.00 H ATOM 47 N ILE A 4 4.760 3.530 -1.292 1.00 0.00 N ATOM 48 CA ILE A 4 4.605 3.689 -2.732 1.00 0.00 C ATOM 49 C ILE A 4 3.474 4.658 -3.059 1.00 0.00 C ATOM 50 O ILE A 4 3.698 5.713 -3.654 1.00 0.00 O ATOM 51 CB ILE A 4 4.327 2.339 -3.421 1.00 0.00 C ATOM 52 CG1 ILE A 4 5.266 1.261 -2.876 1.00 0.00 C ATOM 53 CG2 ILE A 4 4.484 2.473 -4.929 1.00 0.00 C ATOM 54 CD1 ILE A 4 4.678 0.476 -1.724 1.00 0.00 C ATOM 55 H ILE A 4 4.273 2.814 -0.834 1.00 0.00 H ATOM 56 HA ILE A 4 5.531 4.087 -3.124 1.00 0.00 H ATOM 57 HB ILE A 4 3.306 2.059 -3.212 1.00 0.00 H ATOM 58 HG13 ILE A 4 6.176 1.728 -2.531 1.00 0.00 H ATOM 59 HG21 ILE A 4 4.775 3.484 -5.172 1.00 0.00 H ATOM 60 HG22 ILE A 4 5.241 1.787 -5.274 1.00 0.00 H ATOM 61 HG23 ILE A 4 3.545 2.244 -5.410 1.00 0.00 H ATOM 62 HD11 ILE A 4 5.414 0.387 -0.938 1.00 0.00 H ATOM 63 HD12 ILE A 4 3.808 0.990 -1.344 1.00 0.00 H ATOM 64 HD13 ILE A 4 4.396 -0.508 -2.065 1.00 0.00 H ATOM 65 N VAL A 5 2.258 4.294 -2.665 1.00 0.00 N ATOM 66 CA VAL A 5 1.091 5.131 -2.915 1.00 0.00 C ATOM 67 C VAL A 5 0.580 5.760 -1.623 1.00 0.00 C ATOM 68 O VAL A 5 0.153 6.913 -1.608 1.00 0.00 O ATOM 69 CB VAL A 5 -0.049 4.326 -3.566 1.00 0.00 C ATOM 70 CG1 VAL A 5 -1.136 5.258 -4.080 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.491 3.453 -4.690 1.00 0.00 C ATOM 72 H VAL A 5 2.143 3.441 -2.195 1.00 0.00 H ATOM 73 HA VAL A 5 1.383 5.916 -3.595 1.00 0.00 H ATOM 74 HB VAL A 5 -0.483 3.682 -2.815 1.00 0.00 H ATOM 75 HG11 VAL A 5 -2.063 4.711 -4.177 1.00 0.00 H ATOM 76 HG12 VAL A 5 -1.269 6.073 -3.384 1.00 0.00 H ATOM 77 HG13 VAL A 5 -0.848 5.651 -5.044 1.00 0.00 H ATOM 78 HG21 VAL A 5 1.233 2.777 -4.295 1.00 0.00 H ATOM 79 HG22 VAL A 5 -0.318 2.886 -5.124 1.00 0.00 H ATOM 80 HG23 VAL A 5 0.939 4.078 -5.448 1.00 0.00 H ATOM 81 N GLU A 6 0.628 4.992 -0.538 1.00 0.00 N ATOM 82 CA GLU A 6 0.170 5.474 0.758 1.00 0.00 C ATOM 83 C GLU A 6 -1.304 5.871 0.703 1.00 0.00 C ATOM 84 O GLU A 6 -1.781 6.639 1.538 1.00 0.00 O ATOM 85 CB GLU A 6 1.013 6.668 1.211 1.00 0.00 C ATOM 86 CG GLU A 6 2.509 6.449 1.059 1.00 0.00 C ATOM 87 CD GLU A 6 3.280 6.786 2.320 1.00 0.00 C ATOM 88 OE1 GLU A 6 2.833 6.385 3.415 1.00 0.00 O ATOM 89 OE2 GLU A 6 4.332 7.453 2.211 1.00 0.00 O ATOM 90 H GLU A 6 0.980 4.080 -0.613 1.00 0.00 H ATOM 91 HA GLU A 6 0.288 4.672 1.472 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.805 6.867 2.253 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.872 7.074 0.254 1.00 0.00 H ATOM 94 N GLN A 7 -2.015 5.340 -0.286 1.00 0.00 N ATOM 95 CA GLN A 7 -3.433 5.640 -0.452 1.00 0.00 C ATOM 96 C GLN A 7 -4.270 4.368 -0.371 1.00 0.00 C ATOM 97 O GLN A 7 -4.037 3.411 -1.110 1.00 0.00 O ATOM 98 CB GLN A 7 -3.674 6.339 -1.791 1.00 0.00 C ATOM 99 CG GLN A 7 -3.080 7.737 -1.864 1.00 0.00 C ATOM 100 CD GLN A 7 -4.078 8.770 -2.345 1.00 0.00 C ATOM 101 OE1 GLN A 7 -3.803 9.530 -3.276 1.00 0.00 O ATOM 102 NE2 GLN A 7 -5.245 8.807 -1.714 1.00 0.00 N ATOM 103 H GLN A 7 -1.577 4.736 -0.919 1.00 0.00 H ATOM 104 HA GLN A 7 -3.726 6.303 0.347 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.738 6.415 -1.957 1.00 0.00 H ATOM 106 HG3 GLN A 7 -2.242 7.722 -2.546 1.00 0.00 H ATOM 107 HE21 GLN A 7 -5.393 8.173 -0.981 1.00 0.00 H ATOM 108 HE22 GLN A 7 -5.908 9.466 -2.003 1.00 0.00 H ATOM 109 N CYS A 8 -5.244 4.365 0.532 1.00 0.00 N ATOM 110 CA CYS A 8 -6.117 3.211 0.712 1.00 0.00 C ATOM 111 C CYS A 8 -7.407 3.375 -0.084 1.00 0.00 C ATOM 112 O CYS A 8 -8.466 2.894 0.324 1.00 0.00 O ATOM 113 CB CYS A 8 -6.438 3.014 2.193 1.00 0.00 C ATOM 114 SG CYS A 8 -4.997 3.111 3.281 1.00 0.00 S ATOM 115 H CYS A 8 -5.381 5.159 1.092 1.00 0.00 H ATOM 116 HA CYS A 8 -5.592 2.340 0.346 1.00 0.00 H ATOM 117 HB3 CYS A 8 -6.890 2.043 2.330 1.00 0.00 H ATOM 118 HG CYS A 8 -4.127 3.943 2.731 1.00 0.00 H ATOM 119 N CYS A 9 -7.313 4.059 -1.219 1.00 0.00 N ATOM 120 CA CYS A 9 -8.474 4.291 -2.070 1.00 0.00 C ATOM 121 C CYS A 9 -8.253 3.706 -3.462 1.00 0.00 C ATOM 122 O CYS A 9 -9.060 3.911 -4.369 1.00 0.00 O ATOM 123 CB CYS A 9 -8.767 5.787 -2.174 1.00 0.00 C ATOM 124 SG CYS A 9 -9.862 6.417 -0.881 1.00 0.00 S ATOM 125 H CYS A 9 -6.443 4.418 -1.490 1.00 0.00 H ATOM 126 HA CYS A 9 -9.321 3.797 -1.616 1.00 0.00 H ATOM 127 HB3 CYS A 9 -9.232 5.990 -3.128 1.00 0.00 H ATOM 128 HG CYS A 9 -10.993 6.800 -1.452 1.00 0.00 H ATOM 129 N THR A 10 -7.153 2.977 -3.624 1.00 0.00 N ATOM 130 CA THR A 10 -6.823 2.364 -4.904 1.00 0.00 C ATOM 131 C THR A 10 -6.717 0.847 -4.777 1.00 0.00 C ATOM 132 O THR A 10 -7.476 0.108 -5.403 1.00 0.00 O ATOM 133 CB THR A 10 -5.500 2.914 -5.465 1.00 0.00 C ATOM 134 OG1 THR A 10 -4.776 1.871 -6.127 1.00 0.00 O ATOM 135 CG2 THR A 10 -4.645 3.506 -4.355 1.00 0.00 C ATOM 136 H THR A 10 -6.550 2.848 -2.861 1.00 0.00 H ATOM 137 HA THR A 10 -7.613 2.602 -5.601 1.00 0.00 H ATOM 138 HB THR A 10 -5.725 3.694 -6.180 1.00 0.00 H ATOM 139 HG1 THR A 10 -4.023 2.248 -6.590 1.00 0.00 H ATOM 140 HG21 THR A 10 -4.713 2.881 -3.478 1.00 0.00 H ATOM 141 HG22 THR A 10 -4.999 4.498 -4.118 1.00 0.00 H ATOM 142 HG23 THR A 10 -3.617 3.560 -4.682 1.00 0.00 H ATOM 143 N SER A 11 -5.769 0.392 -3.964 1.00 0.00 N ATOM 144 CA SER A 11 -5.562 -1.037 -3.759 1.00 0.00 C ATOM 145 C SER A 11 -4.424 -1.284 -2.771 1.00 0.00 C ATOM 146 O SER A 11 -3.599 -2.174 -2.970 1.00 0.00 O ATOM 147 CB SER A 11 -5.256 -1.727 -5.089 1.00 0.00 C ATOM 148 OG SER A 11 -5.922 -2.973 -5.182 1.00 0.00 O ATOM 149 H SER A 11 -5.196 1.032 -3.494 1.00 0.00 H ATOM 150 HA SER A 11 -6.473 -1.448 -3.350 1.00 0.00 H ATOM 151 HB3 SER A 11 -4.192 -1.893 -5.167 1.00 0.00 H ATOM 152 HG SER A 11 -5.356 -3.606 -5.628 1.00 0.00 H ATOM 153 N ILE A 12 -4.391 -0.488 -1.707 1.00 0.00 N ATOM 154 CA ILE A 12 -3.357 -0.620 -0.689 1.00 0.00 C ATOM 155 C ILE A 12 -3.290 -2.047 -0.154 1.00 0.00 C ATOM 156 O ILE A 12 -2.238 -2.504 0.296 1.00 0.00 O ATOM 157 CB ILE A 12 -3.598 0.345 0.488 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.309 0.537 1.290 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.713 -0.177 1.381 1.00 0.00 C ATOM 160 CD1 ILE A 12 -1.842 1.975 1.350 1.00 0.00 C ATOM 161 H ILE A 12 -5.077 0.203 -1.605 1.00 0.00 H ATOM 162 HA ILE A 12 -2.408 -0.373 -1.143 1.00 0.00 H ATOM 163 HB ILE A 12 -3.908 1.297 0.084 1.00 0.00 H ATOM 164 HG13 ILE A 12 -1.522 -0.050 0.839 1.00 0.00 H ATOM 165 HG21 ILE A 12 -4.388 -1.083 1.869 1.00 0.00 H ATOM 166 HG22 ILE A 12 -4.954 0.566 2.126 1.00 0.00 H ATOM 167 HG23 ILE A 12 -5.587 -0.384 0.782 1.00 0.00 H ATOM 168 HD11 ILE A 12 -2.613 2.584 1.801 1.00 0.00 H ATOM 169 HD12 ILE A 12 -0.942 2.037 1.943 1.00 0.00 H ATOM 170 HD13 ILE A 12 -1.643 2.330 0.351 1.00 0.00 H ATOM 171 N CYS A 13 -4.418 -2.747 -0.209 1.00 0.00 N ATOM 172 CA CYS A 13 -4.488 -4.123 0.268 1.00 0.00 C ATOM 173 C CYS A 13 -3.535 -5.020 -0.517 1.00 0.00 C ATOM 174 O CYS A 13 -3.184 -6.111 -0.068 1.00 0.00 O ATOM 175 CB CYS A 13 -5.918 -4.653 0.151 1.00 0.00 C ATOM 176 SG CYS A 13 -6.473 -4.912 -1.549 1.00 0.00 S ATOM 177 H CYS A 13 -5.223 -2.327 -0.580 1.00 0.00 H ATOM 178 HA CYS A 13 -4.195 -4.129 1.306 1.00 0.00 H ATOM 179 HB3 CYS A 13 -6.594 -3.949 0.615 1.00 0.00 H ATOM 180 HG CYS A 13 -5.665 -5.797 -2.113 1.00 0.00 H ATOM 181 N SER A 14 -3.122 -4.553 -1.690 1.00 0.00 N ATOM 182 CA SER A 14 -2.216 -5.315 -2.540 1.00 0.00 C ATOM 183 C SER A 14 -0.771 -5.148 -2.079 1.00 0.00 C ATOM 184 O SER A 14 0.110 -5.915 -2.467 1.00 0.00 O ATOM 185 CB SER A 14 -2.352 -4.870 -3.998 1.00 0.00 C ATOM 186 OG SER A 14 -2.596 -5.976 -4.848 1.00 0.00 O ATOM 187 H SER A 14 -3.439 -3.676 -1.994 1.00 0.00 H ATOM 188 HA SER A 14 -2.486 -6.357 -2.464 1.00 0.00 H ATOM 189 HB3 SER A 14 -1.439 -4.384 -4.309 1.00 0.00 H ATOM 190 HG SER A 14 -3.287 -5.751 -5.475 1.00 0.00 H ATOM 191 N LEU A 15 -0.535 -4.138 -1.248 1.00 0.00 N ATOM 192 CA LEU A 15 0.803 -3.870 -0.732 1.00 0.00 C ATOM 193 C LEU A 15 0.826 -3.953 0.791 1.00 0.00 C ATOM 194 O LEU A 15 1.881 -3.828 1.413 1.00 0.00 O ATOM 195 CB LEU A 15 1.276 -2.487 -1.186 1.00 0.00 C ATOM 196 CG LEU A 15 0.794 -1.303 -0.346 1.00 0.00 C ATOM 197 CD1 LEU A 15 1.782 -1.003 0.770 1.00 0.00 C ATOM 198 CD2 LEU A 15 0.588 -0.076 -1.223 1.00 0.00 C ATOM 199 H LEU A 15 -1.277 -3.562 -0.974 1.00 0.00 H ATOM 200 HA LEU A 15 1.469 -4.618 -1.132 1.00 0.00 H ATOM 201 HB3 LEU A 15 0.933 -2.337 -2.199 1.00 0.00 H ATOM 202 HG LEU A 15 -0.156 -1.555 0.106 1.00 0.00 H ATOM 203 HD11 LEU A 15 1.513 -1.571 1.649 1.00 0.00 H ATOM 204 HD12 LEU A 15 1.755 0.052 1.000 1.00 0.00 H ATOM 205 HD13 LEU A 15 2.777 -1.277 0.453 1.00 0.00 H ATOM 206 HD21 LEU A 15 1.527 0.203 -1.677 1.00 0.00 H ATOM 207 HD22 LEU A 15 0.223 0.740 -0.619 1.00 0.00 H ATOM 208 HD23 LEU A 15 -0.133 -0.303 -1.995 1.00 0.00 H ATOM 209 N TYR A 16 -0.343 -4.167 1.385 1.00 0.00 N ATOM 210 CA TYR A 16 -0.457 -4.267 2.835 1.00 0.00 C ATOM 211 C TYR A 16 0.355 -5.446 3.364 1.00 0.00 C ATOM 212 O TYR A 16 1.129 -5.304 4.311 1.00 0.00 O ATOM 213 CB TYR A 16 -1.923 -4.418 3.243 1.00 0.00 C ATOM 214 CG TYR A 16 -2.434 -3.279 4.096 1.00 0.00 C ATOM 215 CD1 TYR A 16 -1.717 -2.838 5.202 1.00 0.00 C ATOM 216 CD2 TYR A 16 -3.634 -2.646 3.798 1.00 0.00 C ATOM 217 CE1 TYR A 16 -2.181 -1.799 5.985 1.00 0.00 C ATOM 218 CE2 TYR A 16 -4.104 -1.604 4.574 1.00 0.00 C ATOM 219 CZ TYR A 16 -3.374 -1.184 5.667 1.00 0.00 C ATOM 220 OH TYR A 16 -3.840 -0.149 6.443 1.00 0.00 O ATOM 221 H TYR A 16 -1.149 -4.257 0.835 1.00 0.00 H ATOM 222 HA TYR A 16 -0.066 -3.355 3.263 1.00 0.00 H ATOM 223 HB3 TYR A 16 -2.040 -5.333 3.805 1.00 0.00 H ATOM 224 HD1 TYR A 16 -0.783 -3.322 5.449 1.00 0.00 H ATOM 225 HD2 TYR A 16 -4.203 -2.977 2.942 1.00 0.00 H ATOM 226 HE1 TYR A 16 -1.610 -1.470 6.841 1.00 0.00 H ATOM 227 HE2 TYR A 16 -5.039 -1.124 4.326 1.00 0.00 H ATOM 228 HH TYR A 16 -3.484 -0.229 7.331 1.00 0.00 H ATOM 229 N GLN A 17 0.172 -6.608 2.744 1.00 0.00 N ATOM 230 CA GLN A 17 0.887 -7.811 3.153 1.00 0.00 C ATOM 231 C GLN A 17 0.732 -8.055 4.651 1.00 0.00 C ATOM 232 O GLN A 17 0.698 -9.200 5.104 1.00 0.00 O ATOM 233 CB GLN A 17 2.369 -7.695 2.794 1.00 0.00 C ATOM 234 CG GLN A 17 2.722 -8.323 1.455 1.00 0.00 C ATOM 235 CD GLN A 17 3.228 -9.746 1.592 1.00 0.00 C ATOM 236 OE1 GLN A 17 4.362 -9.976 2.014 1.00 0.00 O ATOM 237 NE2 GLN A 17 2.386 -10.710 1.236 1.00 0.00 N ATOM 238 H GLN A 17 -0.457 -6.656 1.996 1.00 0.00 H ATOM 239 HA GLN A 17 0.460 -8.646 2.619 1.00 0.00 H ATOM 240 HB3 GLN A 17 2.952 -8.185 3.562 1.00 0.00 H ATOM 241 HG3 GLN A 17 3.490 -7.726 0.985 1.00 0.00 H ATOM 242 HE21 GLN A 17 1.499 -10.451 0.909 1.00 0.00 H ATOM 243 HE22 GLN A 17 2.687 -11.638 1.314 1.00 0.00 H TER 244 GLN A 17 ENDMDL MODEL 20 ATOM 1 N LYS A 1 9.292 -2.237 0.312 1.00 0.00 N ATOM 2 CA LYS A 1 9.359 -1.094 1.215 1.00 0.00 C ATOM 3 C LYS A 1 8.130 -0.204 1.058 1.00 0.00 C ATOM 4 O LYS A 1 7.418 -0.284 0.056 1.00 0.00 O ATOM 5 CB LYS A 1 10.628 -0.281 0.949 1.00 0.00 C ATOM 6 CG LYS A 1 10.986 0.672 2.076 1.00 0.00 C ATOM 7 CD LYS A 1 12.392 1.226 1.913 1.00 0.00 C ATOM 8 CE LYS A 1 12.478 2.673 2.372 1.00 0.00 C ATOM 9 NZ LYS A 1 12.559 2.780 3.855 1.00 0.00 N ATOM 10 H1 LYS A 1 9.019 -2.095 -0.619 1.00 0.00 H ATOM 11 HA LYS A 1 9.389 -1.472 2.226 1.00 0.00 H ATOM 12 HB3 LYS A 1 10.489 0.297 0.048 1.00 0.00 H ATOM 13 HG3 LYS A 1 10.925 0.143 3.017 1.00 0.00 H ATOM 14 HD3 LYS A 1 12.671 1.171 0.869 1.00 0.00 H ATOM 15 HE3 LYS A 1 11.598 3.199 2.029 1.00 0.00 H ATOM 16 HZ1 LYS A 1 13.521 3.054 4.142 1.00 0.00 H ATOM 17 HZ2 LYS A 1 12.325 1.867 4.292 1.00 0.00 H ATOM 18 HZ3 LYS A 1 11.890 3.499 4.198 1.00 0.00 H ATOM 19 N ARG A 2 7.888 0.644 2.052 1.00 0.00 N ATOM 20 CA ARG A 2 6.746 1.549 2.023 1.00 0.00 C ATOM 21 C ARG A 2 7.106 2.856 1.322 1.00 0.00 C ATOM 22 O ARG A 2 8.179 2.983 0.732 1.00 0.00 O ATOM 23 CB ARG A 2 6.260 1.837 3.443 1.00 0.00 C ATOM 24 CG ARG A 2 6.508 0.696 4.416 1.00 0.00 C ATOM 25 CD ARG A 2 5.821 -0.583 3.959 1.00 0.00 C ATOM 26 NE ARG A 2 4.566 -0.813 4.669 1.00 0.00 N ATOM 27 CZ ARG A 2 4.495 -1.360 5.878 1.00 0.00 C ATOM 28 NH1 ARG A 2 5.602 -1.731 6.507 1.00 0.00 N ATOM 29 NH2 ARG A 2 3.316 -1.537 6.459 1.00 0.00 N ATOM 30 H ARG A 2 8.493 0.661 2.823 1.00 0.00 H ATOM 31 HA ARG A 2 5.954 1.067 1.472 1.00 0.00 H ATOM 32 HB3 ARG A 2 5.198 2.033 3.415 1.00 0.00 H ATOM 33 HG3 ARG A 2 6.125 0.971 5.387 1.00 0.00 H ATOM 34 HD3 ARG A 2 6.485 -1.416 4.139 1.00 0.00 H ATOM 35 HE ARG A 2 3.737 -0.548 4.221 1.00 0.00 H ATOM 36 HH11 ARG A 2 6.492 -1.596 6.072 1.00 0.00 H ATOM 37 HH12 ARG A 2 5.546 -2.141 7.417 1.00 0.00 H ATOM 38 HH21 ARG A 2 2.480 -1.260 5.986 1.00 0.00 H ATOM 39 HH22 ARG A 2 3.263 -1.950 7.368 1.00 0.00 H ATOM 40 N GLY A 3 6.200 3.828 1.390 1.00 0.00 N ATOM 41 CA GLY A 3 6.440 5.112 0.757 1.00 0.00 C ATOM 42 C GLY A 3 6.320 5.046 -0.752 1.00 0.00 C ATOM 43 O GLY A 3 7.130 5.630 -1.471 1.00 0.00 O ATOM 44 H GLY A 3 5.361 3.670 1.873 1.00 0.00 H ATOM 45 HA2 GLY A 3 5.723 5.826 1.135 1.00 0.00 H ATOM 46 HA3 GLY A 3 7.435 5.445 1.014 1.00 0.00 H ATOM 47 N ILE A 4 5.308 4.331 -1.232 1.00 0.00 N ATOM 48 CA ILE A 4 5.086 4.192 -2.667 1.00 0.00 C ATOM 49 C ILE A 4 3.714 4.724 -3.066 1.00 0.00 C ATOM 50 O ILE A 4 3.496 5.111 -4.213 1.00 0.00 O ATOM 51 CB ILE A 4 5.205 2.723 -3.114 1.00 0.00 C ATOM 52 CG1 ILE A 4 4.870 1.785 -1.953 1.00 0.00 C ATOM 53 CG2 ILE A 4 6.603 2.442 -3.644 1.00 0.00 C ATOM 54 CD1 ILE A 4 3.431 1.877 -1.497 1.00 0.00 C ATOM 55 H ILE A 4 4.696 3.889 -0.609 1.00 0.00 H ATOM 56 HA ILE A 4 5.845 4.766 -3.178 1.00 0.00 H ATOM 57 HB ILE A 4 4.502 2.555 -3.916 1.00 0.00 H ATOM 58 HG13 ILE A 4 5.501 2.028 -1.110 1.00 0.00 H ATOM 59 HG21 ILE A 4 7.253 3.270 -3.401 1.00 0.00 H ATOM 60 HG22 ILE A 4 6.985 1.540 -3.190 1.00 0.00 H ATOM 61 HG23 ILE A 4 6.565 2.316 -4.715 1.00 0.00 H ATOM 62 HD11 ILE A 4 2.832 2.316 -2.283 1.00 0.00 H ATOM 63 HD12 ILE A 4 3.059 0.887 -1.274 1.00 0.00 H ATOM 64 HD13 ILE A 4 3.370 2.493 -0.613 1.00 0.00 H ATOM 65 N VAL A 5 2.791 4.741 -2.109 1.00 0.00 N ATOM 66 CA VAL A 5 1.440 5.229 -2.357 1.00 0.00 C ATOM 67 C VAL A 5 0.831 5.829 -1.097 1.00 0.00 C ATOM 68 O VAL A 5 0.489 7.010 -1.062 1.00 0.00 O ATOM 69 CB VAL A 5 0.524 4.103 -2.872 1.00 0.00 C ATOM 70 CG1 VAL A 5 -0.890 4.622 -3.088 1.00 0.00 C ATOM 71 CG2 VAL A 5 1.083 3.504 -4.154 1.00 0.00 C ATOM 72 H VAL A 5 3.025 4.419 -1.213 1.00 0.00 H ATOM 73 HA VAL A 5 1.497 5.994 -3.118 1.00 0.00 H ATOM 74 HB VAL A 5 0.487 3.326 -2.123 1.00 0.00 H ATOM 75 HG11 VAL A 5 -0.922 5.679 -2.873 1.00 0.00 H ATOM 76 HG12 VAL A 5 -1.182 4.453 -4.115 1.00 0.00 H ATOM 77 HG13 VAL A 5 -1.569 4.100 -2.430 1.00 0.00 H ATOM 78 HG21 VAL A 5 0.417 2.733 -4.511 1.00 0.00 H ATOM 79 HG22 VAL A 5 1.173 4.278 -4.902 1.00 0.00 H ATOM 80 HG23 VAL A 5 2.056 3.078 -3.958 1.00 0.00 H ATOM 81 N GLU A 6 0.699 5.008 -0.060 1.00 0.00 N ATOM 82 CA GLU A 6 0.130 5.458 1.205 1.00 0.00 C ATOM 83 C GLU A 6 -1.325 5.884 1.026 1.00 0.00 C ATOM 84 O GLU A 6 -1.845 6.689 1.797 1.00 0.00 O ATOM 85 CB GLU A 6 0.947 6.621 1.771 1.00 0.00 C ATOM 86 CG GLU A 6 2.448 6.386 1.730 1.00 0.00 C ATOM 87 CD GLU A 6 3.164 6.979 2.930 1.00 0.00 C ATOM 88 OE1 GLU A 6 3.391 8.207 2.936 1.00 0.00 O ATOM 89 OE2 GLU A 6 3.495 6.214 3.860 1.00 0.00 O ATOM 90 H GLU A 6 0.990 4.076 -0.149 1.00 0.00 H ATOM 91 HA GLU A 6 0.168 4.632 1.899 1.00 0.00 H ATOM 92 HB3 GLU A 6 0.657 6.781 2.800 1.00 0.00 H ATOM 93 HG3 GLU A 6 2.845 6.838 0.833 1.00 0.00 H ATOM 94 N GLN A 7 -1.974 5.337 0.004 1.00 0.00 N ATOM 95 CA GLN A 7 -3.367 5.661 -0.278 1.00 0.00 C ATOM 96 C GLN A 7 -4.240 4.411 -0.217 1.00 0.00 C ATOM 97 O GLN A 7 -3.951 3.408 -0.871 1.00 0.00 O ATOM 98 CB GLN A 7 -3.493 6.318 -1.654 1.00 0.00 C ATOM 99 CG GLN A 7 -2.640 7.566 -1.811 1.00 0.00 C ATOM 100 CD GLN A 7 -2.199 7.795 -3.244 1.00 0.00 C ATOM 101 OE1 GLN A 7 -1.012 7.967 -3.521 1.00 0.00 O ATOM 102 NE2 GLN A 7 -3.157 7.799 -4.165 1.00 0.00 N ATOM 103 H GLN A 7 -1.505 4.701 -0.577 1.00 0.00 H ATOM 104 HA GLN A 7 -3.704 6.357 0.475 1.00 0.00 H ATOM 105 HB3 GLN A 7 -4.525 6.592 -1.816 1.00 0.00 H ATOM 106 HG3 GLN A 7 -1.761 7.466 -1.192 1.00 0.00 H ATOM 107 HE21 GLN A 7 -4.081 7.656 -3.871 1.00 0.00 H ATOM 108 HE22 GLN A 7 -2.902 7.944 -5.099 1.00 0.00 H ATOM 109 N CYS A 8 -5.307 4.479 0.573 1.00 0.00 N ATOM 110 CA CYS A 8 -6.220 3.352 0.719 1.00 0.00 C ATOM 111 C CYS A 8 -7.398 3.477 -0.241 1.00 0.00 C ATOM 112 O CYS A 8 -8.536 3.167 0.111 1.00 0.00 O ATOM 113 CB CYS A 8 -6.729 3.267 2.159 1.00 0.00 C ATOM 114 SG CYS A 8 -7.608 4.744 2.721 1.00 0.00 S ATOM 115 H CYS A 8 -5.483 5.305 1.068 1.00 0.00 H ATOM 116 HA CYS A 8 -5.675 2.450 0.486 1.00 0.00 H ATOM 117 HB3 CYS A 8 -5.890 3.109 2.821 1.00 0.00 H ATOM 118 HG CYS A 8 -6.802 5.415 3.531 1.00 0.00 H ATOM 119 N CYS A 9 -7.116 3.935 -1.457 1.00 0.00 N ATOM 120 CA CYS A 9 -8.153 4.106 -2.469 1.00 0.00 C ATOM 121 C CYS A 9 -7.854 3.254 -3.699 1.00 0.00 C ATOM 122 O CYS A 9 -8.767 2.798 -4.389 1.00 0.00 O ATOM 123 CB CYS A 9 -8.270 5.577 -2.867 1.00 0.00 C ATOM 124 SG CYS A 9 -9.773 6.385 -2.272 1.00 0.00 S ATOM 125 H CYS A 9 -6.190 4.166 -1.679 1.00 0.00 H ATOM 126 HA CYS A 9 -9.089 3.781 -2.040 1.00 0.00 H ATOM 127 HB3 CYS A 9 -8.259 5.652 -3.944 1.00 0.00 H ATOM 128 HG CYS A 9 -9.728 6.409 -0.948 1.00 0.00 H ATOM 129 N THR A 10 -6.570 3.047 -3.973 1.00 0.00 N ATOM 130 CA THR A 10 -6.151 2.255 -5.122 1.00 0.00 C ATOM 131 C THR A 10 -5.726 0.853 -4.698 1.00 0.00 C ATOM 132 O THR A 10 -4.570 0.466 -4.872 1.00 0.00 O ATOM 133 CB THR A 10 -4.985 2.927 -5.872 1.00 0.00 C ATOM 134 OG1 THR A 10 -3.948 3.280 -4.951 1.00 0.00 O ATOM 135 CG2 THR A 10 -5.461 4.170 -6.609 1.00 0.00 C ATOM 136 H THR A 10 -5.889 3.439 -3.387 1.00 0.00 H ATOM 137 HA THR A 10 -6.990 2.178 -5.797 1.00 0.00 H ATOM 138 HB THR A 10 -4.591 2.227 -6.595 1.00 0.00 H ATOM 139 HG1 THR A 10 -3.149 2.792 -5.165 1.00 0.00 H ATOM 140 HG21 THR A 10 -6.370 4.532 -6.153 1.00 0.00 H ATOM 141 HG22 THR A 10 -5.652 3.924 -7.645 1.00 0.00 H ATOM 142 HG23 THR A 10 -4.701 4.935 -6.554 1.00 0.00 H ATOM 143 N SER A 11 -6.668 0.099 -4.141 1.00 0.00 N ATOM 144 CA SER A 11 -6.389 -1.261 -3.689 1.00 0.00 C ATOM 145 C SER A 11 -5.087 -1.313 -2.897 1.00 0.00 C ATOM 146 O SER A 11 -4.028 -1.628 -3.443 1.00 0.00 O ATOM 147 CB SER A 11 -6.313 -2.212 -4.885 1.00 0.00 C ATOM 148 OG SER A 11 -5.519 -1.664 -5.922 1.00 0.00 O ATOM 149 H SER A 11 -7.569 0.465 -4.029 1.00 0.00 H ATOM 150 HA SER A 11 -7.201 -1.568 -3.045 1.00 0.00 H ATOM 151 HB3 SER A 11 -7.309 -2.390 -5.264 1.00 0.00 H ATOM 152 HG SER A 11 -6.081 -1.429 -6.664 1.00 0.00 H ATOM 153 N ILE A 12 -5.172 -1.003 -1.609 1.00 0.00 N ATOM 154 CA ILE A 12 -4.000 -1.015 -0.740 1.00 0.00 C ATOM 155 C ILE A 12 -3.712 -2.424 -0.229 1.00 0.00 C ATOM 156 O ILE A 12 -2.557 -2.785 0.004 1.00 0.00 O ATOM 157 CB ILE A 12 -4.180 -0.072 0.461 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.860 0.082 1.219 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.270 -0.592 1.387 1.00 0.00 C ATOM 160 CD1 ILE A 12 -2.209 1.435 1.033 1.00 0.00 C ATOM 161 H ILE A 12 -6.043 -0.760 -1.232 1.00 0.00 H ATOM 162 HA ILE A 12 -3.154 -0.674 -1.319 1.00 0.00 H ATOM 163 HB ILE A 12 -4.488 0.894 0.091 1.00 0.00 H ATOM 164 HG13 ILE A 12 -2.165 -0.672 0.873 1.00 0.00 H ATOM 165 HG21 ILE A 12 -6.204 -0.652 0.845 1.00 0.00 H ATOM 166 HG22 ILE A 12 -4.999 -1.574 1.744 1.00 0.00 H ATOM 167 HG23 ILE A 12 -5.382 0.079 2.225 1.00 0.00 H ATOM 168 HD11 ILE A 12 -2.547 1.871 0.104 1.00 0.00 H ATOM 169 HD12 ILE A 12 -2.482 2.082 1.853 1.00 0.00 H ATOM 170 HD13 ILE A 12 -1.136 1.318 1.007 1.00 0.00 H ATOM 171 N CYS A 13 -4.765 -3.213 -0.059 1.00 0.00 N ATOM 172 CA CYS A 13 -4.625 -4.582 0.424 1.00 0.00 C ATOM 173 C CYS A 13 -3.620 -5.357 -0.422 1.00 0.00 C ATOM 174 O CYS A 13 -2.969 -6.284 0.062 1.00 0.00 O ATOM 175 CB CYS A 13 -5.979 -5.293 0.406 1.00 0.00 C ATOM 176 SG CYS A 13 -7.204 -4.577 1.528 1.00 0.00 S ATOM 177 H CYS A 13 -5.659 -2.869 -0.263 1.00 0.00 H ATOM 178 HA CYS A 13 -4.264 -4.538 1.441 1.00 0.00 H ATOM 179 HB3 CYS A 13 -5.839 -6.326 0.687 1.00 0.00 H ATOM 180 HG CYS A 13 -8.335 -5.251 1.382 1.00 0.00 H ATOM 181 N SER A 14 -3.499 -4.972 -1.689 1.00 0.00 N ATOM 182 CA SER A 14 -2.576 -5.634 -2.602 1.00 0.00 C ATOM 183 C SER A 14 -1.149 -5.589 -2.064 1.00 0.00 C ATOM 184 O SER A 14 -0.314 -6.422 -2.415 1.00 0.00 O ATOM 185 CB SER A 14 -2.633 -4.975 -3.984 1.00 0.00 C ATOM 186 OG SER A 14 -3.685 -5.517 -4.763 1.00 0.00 O ATOM 187 H SER A 14 -4.045 -4.227 -2.015 1.00 0.00 H ATOM 188 HA SER A 14 -2.882 -6.665 -2.693 1.00 0.00 H ATOM 189 HB3 SER A 14 -1.697 -5.141 -4.496 1.00 0.00 H ATOM 190 HG SER A 14 -3.339 -5.803 -5.612 1.00 0.00 H ATOM 191 N LEU A 15 -0.879 -4.610 -1.208 1.00 0.00 N ATOM 192 CA LEU A 15 0.446 -4.454 -0.619 1.00 0.00 C ATOM 193 C LEU A 15 0.388 -4.598 0.899 1.00 0.00 C ATOM 194 O LEU A 15 1.358 -5.016 1.531 1.00 0.00 O ATOM 195 CB LEU A 15 1.035 -3.091 -0.991 1.00 0.00 C ATOM 196 CG LEU A 15 0.593 -1.911 -0.127 1.00 0.00 C ATOM 197 CD1 LEU A 15 1.575 -1.685 1.012 1.00 0.00 C ATOM 198 CD2 LEU A 15 0.456 -0.652 -0.973 1.00 0.00 C ATOM 199 H LEU A 15 -1.586 -3.976 -0.966 1.00 0.00 H ATOM 200 HA LEU A 15 1.080 -5.233 -1.017 1.00 0.00 H ATOM 201 HB3 LEU A 15 0.755 -2.880 -2.013 1.00 0.00 H ATOM 202 HG LEU A 15 -0.373 -2.131 0.305 1.00 0.00 H ATOM 203 HD11 LEU A 15 1.956 -2.636 1.352 1.00 0.00 H ATOM 204 HD12 LEU A 15 1.072 -1.186 1.828 1.00 0.00 H ATOM 205 HD13 LEU A 15 2.394 -1.072 0.665 1.00 0.00 H ATOM 206 HD21 LEU A 15 -0.589 -0.456 -1.159 1.00 0.00 H ATOM 207 HD22 LEU A 15 0.970 -0.795 -1.912 1.00 0.00 H ATOM 208 HD23 LEU A 15 0.892 0.185 -0.447 1.00 0.00 H ATOM 209 N TYR A 16 -0.756 -4.249 1.477 1.00 0.00 N ATOM 210 CA TYR A 16 -0.941 -4.339 2.920 1.00 0.00 C ATOM 211 C TYR A 16 -0.696 -5.762 3.414 1.00 0.00 C ATOM 212 O TYR A 16 -0.169 -5.969 4.506 1.00 0.00 O ATOM 213 CB TYR A 16 -2.353 -3.890 3.303 1.00 0.00 C ATOM 214 CG TYR A 16 -2.379 -2.816 4.367 1.00 0.00 C ATOM 215 CD1 TYR A 16 -1.553 -2.894 5.481 1.00 0.00 C ATOM 216 CD2 TYR A 16 -3.231 -1.723 4.257 1.00 0.00 C ATOM 217 CE1 TYR A 16 -1.574 -1.914 6.455 1.00 0.00 C ATOM 218 CE2 TYR A 16 -3.257 -0.739 5.226 1.00 0.00 C ATOM 219 CZ TYR A 16 -2.428 -0.839 6.324 1.00 0.00 C ATOM 220 OH TYR A 16 -2.452 0.138 7.291 1.00 0.00 O ATOM 221 H TYR A 16 -1.493 -3.922 0.920 1.00 0.00 H ATOM 222 HA TYR A 16 -0.226 -3.679 3.388 1.00 0.00 H ATOM 223 HB3 TYR A 16 -2.905 -4.741 3.677 1.00 0.00 H ATOM 224 HD1 TYR A 16 -0.885 -3.737 5.582 1.00 0.00 H ATOM 225 HD2 TYR A 16 -3.880 -1.649 3.398 1.00 0.00 H ATOM 226 HE1 TYR A 16 -0.923 -1.992 7.315 1.00 0.00 H ATOM 227 HE2 TYR A 16 -3.926 0.103 5.124 1.00 0.00 H ATOM 228 HH TYR A 16 -3.170 -0.035 7.902 1.00 0.00 H ATOM 229 N GLN A 17 -1.084 -6.738 2.599 1.00 0.00 N ATOM 230 CA GLN A 17 -0.907 -8.141 2.952 1.00 0.00 C ATOM 231 C GLN A 17 0.572 -8.521 2.952 1.00 0.00 C ATOM 232 O GLN A 17 1.293 -8.250 3.913 1.00 0.00 O ATOM 233 CB GLN A 17 -1.674 -9.036 1.977 1.00 0.00 C ATOM 234 CG GLN A 17 -1.071 -9.073 0.582 1.00 0.00 C ATOM 235 CD GLN A 17 -2.094 -9.403 -0.488 1.00 0.00 C ATOM 236 OE1 GLN A 17 -2.154 -8.747 -1.528 1.00 0.00 O ATOM 237 NE2 GLN A 17 -2.904 -10.425 -0.237 1.00 0.00 N ATOM 238 H GLN A 17 -1.497 -6.509 1.742 1.00 0.00 H ATOM 239 HA GLN A 17 -1.301 -8.285 3.945 1.00 0.00 H ATOM 240 HB3 GLN A 17 -2.687 -8.673 1.897 1.00 0.00 H ATOM 241 HG3 GLN A 17 -0.293 -9.822 0.560 1.00 0.00 H ATOM 242 HE21 GLN A 17 -2.798 -10.900 0.614 1.00 0.00 H ATOM 243 HE22 GLN A 17 -3.575 -10.660 -0.910 1.00 0.00 H TER 244 GLN A 17 ENDMDL MASTER 144 0 0 1 0 0 0 6 131 1 0 2 END