HEADER TOXIN 21-AUG-11 SMS21014 TITLE SOLUTION STRUCTURE OF CONOTOXIN LT14A COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALPHA-CONOTOXIN LT14.1; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ALPHA-L-CONOTOXIN LT14A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: CONUS LITTERATUS; SOURCE 4 ORGANISM_COMMON: LETTERED CONE; SOURCE 5 ORGANISM_TAXID: 89445 KEYWDS LT14A, TOXIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR B.ZHANG,F.HUANG,W.DU JRNL AUTH B.ZHANG,F.HUANG,W.DU JRNL TITL SOLUTION STRUCTURE OF A NOVEL CONOTOXIN WITH A DISTINCTIVE JRNL TITL 2 LOOP SPACING PATTERN JRNL REF TO BE PUBLISHED JRNL REFN 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: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-OCT-11. REMARK 100 THE BMRB ID CODE IS SMS21014. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283 REMARK 210 PH : 3.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 4 MM CONOTOXIN LT14A, 0.01 % REMARK 210 TFA, 90% H2O/10% D2O; 4 MM REMARK 210 CONOTOXIN LT14A, 0.01 % TFA, 100% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D DQF-COSY; 2D REMARK 210 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 400 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : TOPSPIN 2.1, CYANA 2.1, SPARKY REMARK 210 3.0 REMARK 210 METHOD USED : DISTANCE GEOMETRY, TORSION ANGLE REMARK 210 DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY 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 CYS A 2 68.05 -117.76 REMARK 500 1 LEU A 5 116.59 178.46 REMARK 500 1 ASN A 12 25.27 -161.56 REMARK 500 2 CYS A 2 68.05 -117.91 REMARK 500 2 LEU A 5 119.89 178.04 REMARK 500 2 ASN A 12 25.72 -162.17 REMARK 500 3 CYS A 2 68.27 -117.71 REMARK 500 3 LEU A 5 119.69 178.06 REMARK 500 3 ASN A 12 28.09 -165.99 REMARK 500 4 CYS A 2 68.08 -117.80 REMARK 500 4 LEU A 5 119.78 178.31 REMARK 500 4 ASN A 12 25.82 -162.59 REMARK 500 5 CYS A 2 68.06 -117.82 REMARK 500 5 LEU A 5 119.65 178.30 REMARK 500 5 ASN A 12 25.70 -161.98 REMARK 500 6 CYS A 2 68.23 -117.53 REMARK 500 6 LEU A 5 119.15 178.41 REMARK 500 6 ASN A 12 26.08 -162.78 REMARK 500 7 CYS A 2 68.08 -117.74 REMARK 500 7 LEU A 5 117.75 178.28 REMARK 500 7 ASN A 12 86.62 178.88 REMARK 500 8 CYS A 2 68.10 -117.75 REMARK 500 8 LEU A 5 118.14 178.28 REMARK 500 8 ASN A 12 24.91 -160.86 REMARK 500 9 CYS A 2 68.03 -117.68 REMARK 500 9 LEU A 5 120.15 178.13 REMARK 500 9 ASN A 12 23.79 -159.50 REMARK 500 10 CYS A 2 68.17 -117.65 REMARK 500 10 LEU A 5 120.39 178.49 REMARK 500 10 ASN A 12 34.39 -179.74 REMARK 500 11 CYS A 2 68.47 -117.50 REMARK 500 11 LEU A 5 120.53 178.47 REMARK 500 11 ASN A 12 34.47 -179.91 REMARK 500 12 CYS A 2 68.18 -117.70 REMARK 500 12 LEU A 5 120.11 178.32 REMARK 500 12 ASN A 12 34.25 -179.30 REMARK 500 13 CYS A 2 67.84 -117.81 REMARK 500 13 LEU A 5 118.79 178.42 REMARK 500 13 ASN A 12 27.71 -165.96 REMARK 500 14 CYS A 2 66.77 -118.21 REMARK 500 14 LEU A 5 119.46 178.16 REMARK 500 14 ASN A 12 27.87 -166.59 REMARK 500 15 CYS A 2 66.99 -118.30 REMARK 500 15 LEU A 5 120.81 177.95 REMARK 500 15 ASN A 12 27.90 -166.73 REMARK 500 16 CYS A 2 68.46 -117.53 REMARK 500 16 LEU A 5 119.26 178.73 REMARK 500 16 THR A 11 119.77 64.11 REMARK 500 17 CYS A 2 67.80 -117.99 REMARK 500 17 LEU A 5 112.75 179.16 REMARK 500 REMARK 500 THIS ENTRY HAS 68 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SMS21015 RELATED DB: BMRB DBREF A 1 13 UNP Q2I2R5 CLE1_CONLT 51 63 SEQADV NH2 A 14 UNP Q2I2R5 AMIDATION SEQRES 1 A 14 MET CYS PRO PRO LEU CYS LYS PRO SER CYS THR ASN CYS SEQRES 2 A 14 NH2 HET NH2 A 14 3 HETNAM NH2 AMINO GROUP FORMUL 1 NH2 H2 N SSBOND 1 CYS A 2 CYS A 10 1555 1555 2.11 SSBOND 2 CYS A 6 CYS A 13 1555 1555 2.00 LINK C CYS A 13 N NH2 A 14 1555 1555 1.35 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 MET A 1 1.079 0.000 0.000 1.00 11.00 N ATOM 2 CA MET A 1 1.602 1.185 0.720 1.00 33.24 C ATOM 3 C MET A 1 1.611 2.396 -0.190 1.00 34.11 C ATOM 4 O MET A 1 2.134 2.277 -1.298 1.00 61.21 O ATOM 5 CB MET A 1 3.018 0.948 1.327 1.00 21.55 C ATOM 6 CG MET A 1 3.323 1.805 2.592 1.00 43.42 C ATOM 7 SD MET A 1 4.019 0.802 3.958 1.00 30.44 S ATOM 8 CE MET A 1 5.769 0.529 3.533 1.00 64.00 C ATOM 9 H1 MET A 1 1.367 -0.912 0.508 1.00 54.44 H ATOM 10 H2 MET A 1 0.000 0.000 0.000 1.00 0.00 H ATOM 11 H3 MET A 1 1.436 0.000 -0.990 1.00 23.01 H ATOM 12 HA MET A 1 0.912 1.406 1.555 1.00 41.32 H ATOM 13 HB2 MET A 1 3.101 -0.119 1.595 1.00 63.25 H ATOM 14 HB3 MET A 1 3.773 1.144 0.551 1.00 73.34 H ATOM 15 HG2 MET A 1 3.942 2.684 2.360 1.00 71.14 H ATOM 16 HG3 MET A 1 2.373 2.180 3.006 1.00 3.22 H ATOM 17 HE1 MET A 1 6.258 1.495 3.346 1.00 42.53 H ATOM 18 HE2 MET A 1 6.303 -0.010 4.330 1.00 13.33 H ATOM 19 HE3 MET A 1 5.817 -0.070 2.611 1.00 54.42 H ATOM 20 N CYS A 2 1.060 3.529 0.231 1.00 10.53 N ATOM 21 CA CYS A 2 1.038 4.725 -0.602 1.00 52.42 C ATOM 22 C CYS A 2 1.820 5.860 0.053 1.00 31.14 C ATOM 23 O CYS A 2 1.259 6.871 0.477 1.00 74.42 O ATOM 24 CB CYS A 2 -0.404 5.167 -0.859 1.00 14.03 C ATOM 25 SG CYS A 2 -1.545 3.798 -1.240 1.00 5.41 S ATOM 26 H CYS A 2 0.658 3.563 1.125 1.00 31.24 H ATOM 27 HA CYS A 2 1.503 4.482 -1.545 1.00 25.31 H ATOM 28 HB2 CYS A 2 -0.780 5.671 0.020 1.00 41.30 H ATOM 29 HB3 CYS A 2 -0.420 5.851 -1.694 1.00 51.21 H ATOM 30 N PRO A 3 3.148 5.690 0.140 1.00 54.52 N ATOM 31 CA PRO A 3 4.036 6.690 0.742 1.00 73.55 C ATOM 32 C PRO A 3 4.153 7.949 -0.110 1.00 62.23 C ATOM 33 O PRO A 3 4.427 9.041 0.388 1.00 63.12 O ATOM 34 CB PRO A 3 5.383 5.967 0.817 1.00 41.14 C ATOM 35 CG PRO A 3 5.323 4.940 -0.261 1.00 51.32 C ATOM 36 CD PRO A 3 3.884 4.511 -0.344 1.00 63.20 C ATOM 37 HA PRO A 3 3.714 6.958 1.737 1.00 54.41 H ATOM 38 HB2 PRO A 3 6.183 6.674 0.646 1.00 22.31 H ATOM 39 HB3 PRO A 3 5.498 5.512 1.789 1.00 41.21 H ATOM 40 HG2 PRO A 3 5.640 5.372 -1.198 1.00 51.31 H ATOM 41 HG3 PRO A 3 5.950 4.100 -0.002 1.00 42.05 H ATOM 42 HD2 PRO A 3 3.617 4.281 -1.365 1.00 2.21 H ATOM 43 HD3 PRO A 3 3.708 3.658 0.295 1.00 13.10 H ATOM 44 N PRO A 4 3.941 7.796 -1.426 1.00 10.21 N ATOM 45 CA PRO A 4 4.017 8.911 -2.374 1.00 52.25 C ATOM 46 C PRO A 4 2.866 9.897 -2.204 1.00 30.03 C ATOM 47 O PRO A 4 2.984 11.072 -2.556 1.00 34.55 O ATOM 48 CB PRO A 4 3.933 8.222 -3.739 1.00 11.51 C ATOM 49 CG PRO A 4 3.211 6.946 -3.475 1.00 52.33 C ATOM 50 CD PRO A 4 3.610 6.524 -2.089 1.00 21.54 C ATOM 51 HA PRO A 4 4.956 9.439 -2.293 1.00 20.53 H ATOM 52 HB2 PRO A 4 3.387 8.851 -4.429 1.00 64.31 H ATOM 53 HB3 PRO A 4 4.928 8.042 -4.117 1.00 11.01 H ATOM 54 HG2 PRO A 4 2.145 7.110 -3.525 1.00 42.22 H ATOM 55 HG3 PRO A 4 3.511 6.200 -4.195 1.00 63.43 H ATOM 56 HD2 PRO A 4 2.786 6.033 -1.592 1.00 23.22 H ATOM 57 HD3 PRO A 4 4.472 5.874 -2.126 1.00 30.43 H ATOM 58 N LEU A 5 1.754 9.413 -1.661 1.00 61.24 N ATOM 59 CA LEU A 5 0.581 10.252 -1.443 1.00 60.01 C ATOM 60 C LEU A 5 -0.564 9.442 -0.844 1.00 31.01 C ATOM 61 O LEU A 5 -1.077 8.514 -1.470 1.00 40.24 O ATOM 62 CB LEU A 5 0.135 10.891 -2.759 1.00 53.13 C ATOM 63 CG LEU A 5 0.185 9.990 -3.994 1.00 11.22 C ATOM 64 CD1 LEU A 5 -1.202 9.834 -4.597 1.00 73.51 C ATOM 65 CD2 LEU A 5 1.156 10.550 -5.023 1.00 60.32 C ATOM 66 H LEU A 5 1.720 8.469 -1.401 1.00 62.03 H ATOM 67 HA LEU A 5 0.856 11.032 -0.749 1.00 22.22 H ATOM 68 HB2 LEU A 5 -0.884 11.226 -2.636 1.00 22.44 H ATOM 69 HB3 LEU A 5 0.772 11.744 -2.945 1.00 0.14 H ATOM 70 HG LEU A 5 0.534 9.009 -3.702 1.00 10.21 H ATOM 71 HD11 LEU A 5 -1.916 9.637 -3.812 1.00 12.23 H ATOM 72 HD12 LEU A 5 -1.200 9.010 -5.296 1.00 0.02 H ATOM 73 HD13 LEU A 5 -1.475 10.742 -5.113 1.00 41.45 H ATOM 74 HD21 LEU A 5 0.606 11.080 -5.786 1.00 11.53 H ATOM 75 HD22 LEU A 5 1.707 9.738 -5.475 1.00 45.51 H ATOM 76 HD23 LEU A 5 1.845 11.226 -4.538 1.00 15.32 H ATOM 77 N CYS A 6 -0.962 9.800 0.372 1.00 32.03 N ATOM 78 CA CYS A 6 -2.048 9.108 1.057 1.00 40.54 C ATOM 79 C CYS A 6 -3.403 9.541 0.503 1.00 64.21 C ATOM 80 O CYS A 6 -4.171 10.227 1.177 1.00 53.13 O ATOM 81 CB CYS A 6 -1.988 9.383 2.560 1.00 11.44 C ATOM 82 SG CYS A 6 -3.212 8.451 3.536 1.00 25.21 S ATOM 83 H CYS A 6 -0.514 10.548 0.821 1.00 12.24 H ATOM 84 HA CYS A 6 -1.925 8.049 0.888 1.00 55.40 H ATOM 85 HB2 CYS A 6 -1.007 9.120 2.928 1.00 43.32 H ATOM 86 HB3 CYS A 6 -2.161 10.435 2.734 1.00 54.25 H ATOM 87 N LYS A 7 -3.689 9.134 -0.729 1.00 41.22 N ATOM 88 CA LYS A 7 -4.951 9.477 -1.375 1.00 24.12 C ATOM 89 C LYS A 7 -6.037 8.467 -1.017 1.00 3.41 C ATOM 90 O LYS A 7 -5.760 7.349 -0.583 1.00 3.12 O ATOM 91 CB LYS A 7 -4.771 9.532 -2.894 1.00 15.34 C ATOM 92 CG LYS A 7 -4.780 10.943 -3.456 1.00 2.20 C ATOM 93 CD LYS A 7 -3.453 11.646 -3.220 1.00 33.43 C ATOM 94 CE LYS A 7 -3.655 13.038 -2.643 1.00 10.34 C ATOM 95 NZ LYS A 7 -2.527 13.949 -2.984 1.00 74.04 N ATOM 96 H LYS A 7 -3.035 8.589 -1.216 1.00 74.04 H ATOM 97 HA LYS A 7 -5.251 10.451 -1.020 1.00 43.34 H ATOM 98 HB2 LYS A 7 -3.829 9.070 -3.150 1.00 55.41 H ATOM 99 HB3 LYS A 7 -5.573 8.977 -3.359 1.00 52.10 H ATOM 100 HG2 LYS A 7 -4.966 10.897 -4.519 1.00 23.43 H ATOM 101 HG3 LYS A 7 -5.566 11.508 -2.975 1.00 74.25 H ATOM 102 HD2 LYS A 7 -2.866 11.063 -2.526 1.00 65.22 H ATOM 103 HD3 LYS A 7 -2.927 11.728 -4.160 1.00 61.32 H ATOM 104 HE2 LYS A 7 -4.571 13.449 -3.039 1.00 62.12 H ATOM 105 HE3 LYS A 7 -3.731 12.961 -1.568 1.00 71.31 H ATOM 106 HZ1 LYS A 7 -2.233 14.485 -2.143 1.00 62.42 H ATOM 107 HZ2 LYS A 7 -2.821 14.619 -3.724 1.00 12.03 H ATOM 108 HZ3 LYS A 7 -1.717 13.399 -3.334 1.00 30.25 H ATOM 109 N PRO A 8 -7.303 8.868 -1.204 1.00 10.23 N ATOM 110 CA PRO A 8 -8.456 8.012 -0.909 1.00 1.24 C ATOM 111 C PRO A 8 -8.577 6.847 -1.884 1.00 74.33 C ATOM 112 O PRO A 8 -8.301 6.990 -3.075 1.00 54.43 O ATOM 113 CB PRO A 8 -9.649 8.960 -1.057 1.00 4.13 C ATOM 114 CG PRO A 8 -9.176 10.020 -1.991 1.00 12.45 C ATOM 115 CD PRO A 8 -7.707 10.188 -1.718 1.00 21.40 C ATOM 116 HA PRO A 8 -8.419 7.632 0.102 1.00 74.02 H ATOM 117 HB2 PRO A 8 -10.492 8.421 -1.464 1.00 60.43 H ATOM 118 HB3 PRO A 8 -9.909 9.371 -0.093 1.00 24.33 H ATOM 119 HG2 PRO A 8 -9.335 9.708 -3.011 1.00 51.14 H ATOM 120 HG3 PRO A 8 -9.701 10.943 -1.793 1.00 0.40 H ATOM 121 HD2 PRO A 8 -7.179 10.424 -2.630 1.00 5.44 H ATOM 122 HD3 PRO A 8 -7.546 10.956 -0.976 1.00 22.41 H ATOM 123 N SER A 9 -8.993 5.693 -1.372 1.00 24.32 N ATOM 124 CA SER A 9 -9.147 4.501 -2.198 1.00 15.10 C ATOM 125 C SER A 9 -7.808 4.073 -2.791 1.00 54.51 C ATOM 126 O SER A 9 -7.733 3.658 -3.948 1.00 4.50 O ATOM 127 CB SER A 9 -10.156 4.760 -3.319 1.00 64.33 C ATOM 128 OG SER A 9 -10.661 3.543 -3.841 1.00 14.01 O ATOM 129 H SER A 9 -9.197 5.641 -0.415 1.00 11.25 H ATOM 130 HA SER A 9 -9.519 3.707 -1.568 1.00 22.23 H ATOM 131 HB2 SER A 9 -10.979 5.341 -2.933 1.00 4.30 H ATOM 132 HB3 SER A 9 -9.671 5.306 -4.116 1.00 73.30 H ATOM 133 HG SER A 9 -11.603 3.631 -4.004 1.00 53.41 H ATOM 134 N CYS A 10 -6.753 4.178 -1.990 1.00 74.11 N ATOM 135 CA CYS A 10 -5.416 3.803 -2.433 1.00 50.34 C ATOM 136 C CYS A 10 -5.086 2.372 -2.018 1.00 52.42 C ATOM 137 O CYS A 10 -3.975 1.890 -2.238 1.00 5.22 O ATOM 138 CB CYS A 10 -4.376 4.766 -1.856 1.00 74.01 C ATOM 139 SG CYS A 10 -2.761 4.708 -2.697 1.00 33.42 S ATOM 140 H CYS A 10 -6.877 4.516 -1.078 1.00 30.25 H ATOM 141 HA CYS A 10 -5.393 3.867 -3.511 1.00 34.44 H ATOM 142 HB2 CYS A 10 -4.750 5.777 -1.934 1.00 72.45 H ATOM 143 HB3 CYS A 10 -4.215 4.527 -0.815 1.00 43.33 H ATOM 144 N THR A 11 -6.061 1.697 -1.416 1.00 43.15 N ATOM 145 CA THR A 11 -5.875 0.322 -0.970 1.00 2.44 C ATOM 146 C THR A 11 -4.858 0.245 0.163 1.00 0.35 C ATOM 147 O THR A 11 -4.405 -0.838 0.530 1.00 2.25 O ATOM 148 CB THR A 11 -5.410 -0.586 -2.124 1.00 12.42 C ATOM 149 OG1 THR A 11 -6.111 -0.247 -3.326 1.00 32.52 O ATOM 150 CG2 THR A 11 -5.646 -2.051 -1.788 1.00 43.53 C ATOM 151 H THR A 11 -6.925 2.136 -1.270 1.00 25.24 H ATOM 152 HA THR A 11 -6.826 -0.044 -0.612 1.00 54.41 H ATOM 153 HB THR A 11 -4.352 -0.433 -2.278 1.00 44.42 H ATOM 154 HG1 THR A 11 -7.057 -0.284 -3.166 1.00 34.04 H ATOM 155 HG21 THR A 11 -4.696 -2.555 -1.694 1.00 41.11 H ATOM 156 HG22 THR A 11 -6.221 -2.512 -2.577 1.00 35.43 H ATOM 157 HG23 THR A 11 -6.187 -2.124 -0.857 1.00 4.13 H ATOM 158 N ASN A 12 -4.504 1.402 0.715 1.00 71.15 N ATOM 159 CA ASN A 12 -3.540 1.465 1.807 1.00 30.30 C ATOM 160 C ASN A 12 -3.644 2.794 2.548 1.00 2.13 C ATOM 161 O ASN A 12 -2.681 3.250 3.165 1.00 3.43 O ATOM 162 CB ASN A 12 -2.119 1.276 1.272 1.00 20.44 C ATOM 163 CG ASN A 12 -1.283 0.374 2.160 1.00 63.14 C ATOM 164 OD1 ASN A 12 -1.029 -0.783 1.825 1.00 74.44 O ATOM 165 ND2 ASN A 12 -0.850 0.901 3.299 1.00 43.53 N ATOM 166 H ASN A 12 -4.900 2.233 0.379 1.00 72.15 H ATOM 167 HA ASN A 12 -3.766 0.664 2.495 1.00 61.33 H ATOM 168 HB2 ASN A 12 -2.167 0.834 0.287 1.00 13.44 H ATOM 169 HB3 ASN A 12 -1.634 2.238 1.208 1.00 24.20 H ATOM 170 HD21 ASN A 12 -1.091 1.830 3.500 1.00 5.03 H ATOM 171 HD22 ASN A 12 -0.306 0.341 3.891 1.00 73.20 H ATOM 172 N CYS A 13 -4.819 3.411 2.484 1.00 60.01 N ATOM 173 CA CYS A 13 -5.050 4.688 3.148 1.00 34.24 C ATOM 174 C CYS A 13 -6.544 4.941 3.336 1.00 24.41 C ATOM 175 O CYS A 13 -7.382 4.374 2.653 1.00 11.41 O ATOM 176 CB CYS A 13 -4.427 5.827 2.340 1.00 4.54 C ATOM 177 SG CYS A 13 -2.917 6.526 3.083 1.00 10.03 S ATOM 178 H CYS A 13 -5.549 2.997 1.976 1.00 14.34 H ATOM 179 HA CYS A 13 -4.580 4.647 4.119 1.00 31.00 H ATOM 180 HB2 CYS A 13 -4.169 5.462 1.357 1.00 41.01 H ATOM 181 HB3 CYS A 13 -5.147 6.627 2.244 1.00 24.45 H HETATM 182 N NH2 A 14 -6.882 5.826 4.300 1.00 63.44 N HETATM 183 HN1 NH2 A 14 -7.849 6.030 4.466 1.00 61.41 H HETATM 184 HN2 NH2 A 14 -6.180 6.280 4.849 1.00 72.50 H TER 185 NH2 A 14 ENDMDL MODEL 2 ATOM 1 N MET A 1 1.128 0.034 -0.074 1.00 23.21 N ATOM 2 CA MET A 1 1.661 1.217 0.643 1.00 62.54 C ATOM 3 C MET A 1 1.657 2.430 -0.264 1.00 44.32 C ATOM 4 O MET A 1 2.140 2.307 -1.390 1.00 62.32 O ATOM 5 CB MET A 1 3.086 0.977 1.229 1.00 11.51 C ATOM 6 CG MET A 1 3.325 1.642 2.618 1.00 41.43 C ATOM 7 SD MET A 1 3.581 0.403 3.944 1.00 41.51 S ATOM 8 CE MET A 1 5.246 0.726 4.610 1.00 12.23 C ATOM 9 H1 MET A 1 1.344 -0.873 0.476 1.00 34.20 H ATOM 10 H2 MET A 1 0.052 0.081 -0.139 1.00 44.22 H ATOM 11 H3 MET A 1 1.543 -0.013 -1.040 1.00 2.21 H ATOM 12 HA MET A 1 0.983 1.436 1.487 1.00 23.52 H ATOM 13 HB2 MET A 1 3.237 -0.111 1.326 1.00 4.54 H ATOM 14 HB3 MET A 1 3.831 1.342 0.506 1.00 62.01 H ATOM 15 HG2 MET A 1 4.126 2.395 2.587 1.00 54.14 H ATOM 16 HG3 MET A 1 2.404 2.163 2.927 1.00 43.20 H ATOM 17 HE1 MET A 1 5.958 0.002 4.190 1.00 31.13 H ATOM 18 HE2 MET A 1 5.581 1.750 4.388 1.00 4.12 H ATOM 19 HE3 MET A 1 5.218 0.594 5.702 1.00 34.33 H ATOM 20 N CYS A 2 1.139 3.571 0.179 1.00 25.10 N ATOM 21 CA CYS A 2 1.107 4.770 -0.650 1.00 21.31 C ATOM 22 C CYS A 2 1.927 5.891 -0.017 1.00 72.35 C ATOM 23 O CYS A 2 1.395 6.909 0.425 1.00 32.12 O ATOM 24 CB CYS A 2 -0.336 5.233 -0.857 1.00 72.02 C ATOM 25 SG CYS A 2 -1.515 3.878 -1.163 1.00 13.31 S ATOM 26 H CYS A 2 0.769 3.608 1.087 1.00 63.44 H ATOM 27 HA CYS A 2 1.538 4.522 -1.608 1.00 53.43 H ATOM 28 HB2 CYS A 2 -0.667 5.762 0.025 1.00 25.00 H ATOM 29 HB3 CYS A 2 -0.374 5.900 -1.706 1.00 2.04 H ATOM 30 N PRO A 3 3.254 5.701 0.026 1.00 31.25 N ATOM 31 CA PRO A 3 4.176 6.685 0.602 1.00 72.24 C ATOM 32 C PRO A 3 4.286 7.944 -0.251 1.00 74.04 C ATOM 33 O PRO A 3 4.592 9.031 0.240 1.00 70.34 O ATOM 34 CB PRO A 3 5.514 5.942 0.633 1.00 74.43 C ATOM 35 CG PRO A 3 5.404 4.918 -0.444 1.00 54.34 C ATOM 36 CD PRO A 3 3.957 4.511 -0.482 1.00 73.04 C ATOM 37 HA PRO A 3 3.889 6.956 1.607 1.00 5.41 H ATOM 38 HB2 PRO A 3 6.319 6.636 0.438 1.00 13.32 H ATOM 39 HB3 PRO A 3 5.652 5.483 1.600 1.00 23.11 H ATOM 40 HG2 PRO A 3 5.697 5.347 -1.390 1.00 44.41 H ATOM 41 HG3 PRO A 3 6.026 4.068 -0.207 1.00 72.11 H ATOM 42 HD2 PRO A 3 3.654 4.288 -1.495 1.00 31.23 H ATOM 43 HD3 PRO A 3 3.787 3.660 0.160 1.00 22.35 H ATOM 44 N PRO A 4 4.030 7.798 -1.560 1.00 33.51 N ATOM 45 CA PRO A 4 4.093 8.913 -2.509 1.00 14.35 C ATOM 46 C PRO A 4 2.963 9.916 -2.300 1.00 10.13 C ATOM 47 O PRO A 4 3.089 11.091 -2.648 1.00 65.22 O ATOM 48 CB PRO A 4 3.955 8.229 -3.871 1.00 21.12 C ATOM 49 CG PRO A 4 3.222 6.963 -3.587 1.00 3.44 C ATOM 50 CD PRO A 4 3.659 6.531 -2.214 1.00 14.51 C ATOM 51 HA PRO A 4 5.042 9.426 -2.456 1.00 11.15 H ATOM 52 HB2 PRO A 4 3.398 8.867 -4.542 1.00 72.13 H ATOM 53 HB3 PRO A 4 4.935 8.034 -4.280 1.00 52.14 H ATOM 54 HG2 PRO A 4 2.158 7.144 -3.603 1.00 22.44 H ATOM 55 HG3 PRO A 4 3.488 6.214 -4.317 1.00 63.31 H ATOM 56 HD2 PRO A 4 2.843 6.052 -1.692 1.00 45.32 H ATOM 57 HD3 PRO A 4 4.509 5.869 -2.279 1.00 72.54 H ATOM 58 N LEU A 5 1.859 9.446 -1.729 1.00 42.41 N ATOM 59 CA LEU A 5 0.706 10.303 -1.473 1.00 63.31 C ATOM 60 C LEU A 5 -0.438 9.505 -0.857 1.00 13.15 C ATOM 61 O LEU A 5 -0.942 8.556 -1.457 1.00 70.45 O ATOM 62 CB LEU A 5 0.240 10.965 -2.771 1.00 3.54 C ATOM 63 CG LEU A 5 0.235 10.076 -4.014 1.00 70.03 C ATOM 64 CD1 LEU A 5 -1.173 9.952 -4.576 1.00 43.53 C ATOM 65 CD2 LEU A 5 1.185 10.626 -5.068 1.00 4.33 C ATOM 66 H LEU A 5 1.817 8.502 -1.473 1.00 64.45 H ATOM 67 HA LEU A 5 1.011 11.069 -0.776 1.00 43.23 H ATOM 68 HB2 LEU A 5 -0.766 11.323 -2.616 1.00 40.31 H ATOM 69 HB3 LEU A 5 0.893 11.805 -2.965 1.00 61.44 H ATOM 70 HG LEU A 5 0.573 9.085 -3.742 1.00 42.53 H ATOM 71 HD11 LEU A 5 -1.853 9.674 -3.786 1.00 2.44 H ATOM 72 HD12 LEU A 5 -1.188 9.196 -5.347 1.00 24.12 H ATOM 73 HD13 LEU A 5 -1.477 10.900 -4.997 1.00 24.10 H ATOM 74 HD21 LEU A 5 0.623 11.174 -5.809 1.00 71.00 H ATOM 75 HD22 LEU A 5 1.708 9.809 -5.543 1.00 13.03 H ATOM 76 HD23 LEU A 5 1.901 11.286 -4.598 1.00 33.34 H ATOM 77 N CYS A 6 -0.846 9.898 0.345 1.00 13.15 N ATOM 78 CA CYS A 6 -1.933 9.222 1.044 1.00 62.22 C ATOM 79 C CYS A 6 -3.286 9.628 0.468 1.00 51.35 C ATOM 80 O CYS A 6 -4.076 10.305 1.126 1.00 33.21 O ATOM 81 CB CYS A 6 -1.885 9.544 2.539 1.00 51.34 C ATOM 82 SG CYS A 6 -3.099 8.623 3.537 1.00 1.30 S ATOM 83 H CYS A 6 -0.405 10.662 0.774 1.00 14.32 H ATOM 84 HA CYS A 6 -1.803 8.159 0.909 1.00 21.24 H ATOM 85 HB2 CYS A 6 -0.902 9.308 2.919 1.00 44.34 H ATOM 86 HB3 CYS A 6 -2.076 10.598 2.678 1.00 3.10 H ATOM 87 N LYS A 7 -3.547 9.211 -0.767 1.00 22.34 N ATOM 88 CA LYS A 7 -4.804 9.529 -1.433 1.00 31.41 C ATOM 89 C LYS A 7 -5.905 8.563 -1.007 1.00 30.41 C ATOM 90 O LYS A 7 -5.645 7.472 -0.499 1.00 25.22 O ATOM 91 CB LYS A 7 -4.627 9.479 -2.952 1.00 61.21 C ATOM 92 CG LYS A 7 -4.513 10.849 -3.597 1.00 14.55 C ATOM 93 CD LYS A 7 -3.372 11.654 -2.998 1.00 43.13 C ATOM 94 CE LYS A 7 -3.885 12.852 -2.214 1.00 40.12 C ATOM 95 NZ LYS A 7 -3.993 14.068 -3.067 1.00 10.11 N ATOM 96 H LYS A 7 -2.877 8.674 -1.241 1.00 42.20 H ATOM 97 HA LYS A 7 -5.089 10.529 -1.145 1.00 5.32 H ATOM 98 HB2 LYS A 7 -3.730 8.921 -3.180 1.00 12.52 H ATOM 99 HB3 LYS A 7 -5.476 8.970 -3.385 1.00 33.00 H ATOM 100 HG2 LYS A 7 -4.337 10.726 -4.655 1.00 1.43 H ATOM 101 HG3 LYS A 7 -5.439 11.387 -3.444 1.00 61.51 H ATOM 102 HD2 LYS A 7 -2.805 11.019 -2.334 1.00 2.44 H ATOM 103 HD3 LYS A 7 -2.733 12.004 -3.797 1.00 4.33 H ATOM 104 HE2 LYS A 7 -4.859 12.614 -1.816 1.00 54.50 H ATOM 105 HE3 LYS A 7 -3.203 13.052 -1.401 1.00 40.30 H ATOM 106 HZ1 LYS A 7 -3.576 14.886 -2.578 1.00 61.23 H ATOM 107 HZ2 LYS A 7 -4.992 14.273 -3.272 1.00 70.30 H ATOM 108 HZ3 LYS A 7 -3.490 13.921 -3.965 1.00 20.30 H ATOM 109 N PRO A 8 -7.165 8.970 -1.219 1.00 74.51 N ATOM 110 CA PRO A 8 -8.331 8.153 -0.866 1.00 42.41 C ATOM 111 C PRO A 8 -8.472 6.927 -1.761 1.00 72.11 C ATOM 112 O PRO A 8 -8.152 6.973 -2.949 1.00 14.32 O ATOM 113 CB PRO A 8 -9.509 9.108 -1.077 1.00 20.35 C ATOM 114 CG PRO A 8 -9.022 10.095 -2.080 1.00 50.20 C ATOM 115 CD PRO A 8 -7.550 10.257 -1.821 1.00 2.54 C ATOM 116 HA PRO A 8 -8.298 7.841 0.168 1.00 52.44 H ATOM 117 HB2 PRO A 8 -10.361 8.555 -1.446 1.00 54.12 H ATOM 118 HB3 PRO A 8 -9.761 9.586 -0.142 1.00 42.11 H ATOM 119 HG2 PRO A 8 -9.188 9.718 -3.077 1.00 63.54 H ATOM 120 HG3 PRO A 8 -9.532 11.038 -1.945 1.00 31.55 H ATOM 121 HD2 PRO A 8 -7.020 10.424 -2.747 1.00 4.25 H ATOM 122 HD3 PRO A 8 -7.375 11.071 -1.132 1.00 13.10 H ATOM 123 N SER A 9 -8.954 5.831 -1.183 1.00 63.15 N ATOM 124 CA SER A 9 -9.134 4.591 -1.929 1.00 33.53 C ATOM 125 C SER A 9 -7.817 4.131 -2.546 1.00 21.33 C ATOM 126 O SER A 9 -7.781 3.665 -3.685 1.00 25.20 O ATOM 127 CB SER A 9 -10.186 4.777 -3.024 1.00 41.51 C ATOM 128 OG SER A 9 -10.756 3.536 -3.401 1.00 13.14 O ATOM 129 H SER A 9 -9.191 5.857 -0.233 1.00 24.34 H ATOM 130 HA SER A 9 -9.477 3.835 -1.237 1.00 54.43 H ATOM 131 HB2 SER A 9 -10.970 5.424 -2.661 1.00 4.54 H ATOM 132 HB3 SER A 9 -9.722 5.225 -3.891 1.00 54.24 H ATOM 133 HG SER A 9 -10.192 3.107 -4.048 1.00 4.14 H ATOM 134 N CYS A 10 -6.736 4.265 -1.785 1.00 2.30 N ATOM 135 CA CYS A 10 -5.415 3.865 -2.255 1.00 0.04 C ATOM 136 C CYS A 10 -5.095 2.436 -1.825 1.00 70.05 C ATOM 137 O CYS A 10 -3.996 1.935 -2.064 1.00 64.11 O ATOM 138 CB CYS A 10 -4.348 4.821 -1.718 1.00 13.43 C ATOM 139 SG CYS A 10 -2.751 4.718 -2.588 1.00 53.30 S ATOM 140 H CYS A 10 -6.828 4.644 -0.885 1.00 33.33 H ATOM 141 HA CYS A 10 -5.418 3.912 -3.333 1.00 21.31 H ATOM 142 HB2 CYS A 10 -4.707 5.836 -1.810 1.00 2.42 H ATOM 143 HB3 CYS A 10 -4.170 4.601 -0.675 1.00 52.35 H ATOM 144 N THR A 11 -6.064 1.784 -1.190 1.00 61.45 N ATOM 145 CA THR A 11 -5.886 0.413 -0.727 1.00 53.31 C ATOM 146 C THR A 11 -4.846 0.339 0.385 1.00 52.41 C ATOM 147 O THR A 11 -4.400 -0.744 0.759 1.00 31.21 O ATOM 148 CB THR A 11 -5.459 -0.518 -1.877 1.00 43.32 C ATOM 149 OG1 THR A 11 -6.182 -0.189 -3.069 1.00 2.34 O ATOM 150 CG2 THR A 11 -5.705 -1.974 -1.514 1.00 61.44 C ATOM 151 H THR A 11 -6.918 2.237 -1.030 1.00 21.41 H ATOM 152 HA THR A 11 -6.835 0.065 -0.344 1.00 4.33 H ATOM 153 HB THR A 11 -4.402 -0.381 -2.057 1.00 41.42 H ATOM 154 HG1 THR A 11 -7.060 0.122 -2.835 1.00 3.35 H ATOM 155 HG21 THR A 11 -6.541 -2.039 -0.834 1.00 43.02 H ATOM 156 HG22 THR A 11 -4.824 -2.382 -1.041 1.00 43.50 H ATOM 157 HG23 THR A 11 -5.925 -2.536 -2.410 1.00 20.10 H ATOM 158 N ASN A 12 -4.465 1.499 0.910 1.00 45.31 N ATOM 159 CA ASN A 12 -3.476 1.565 1.980 1.00 11.32 C ATOM 160 C ASN A 12 -3.535 2.913 2.693 1.00 34.00 C ATOM 161 O ASN A 12 -2.547 3.366 3.272 1.00 73.41 O ATOM 162 CB ASN A 12 -2.071 1.333 1.420 1.00 12.34 C ATOM 163 CG ASN A 12 -1.361 0.179 2.100 1.00 33.45 C ATOM 164 OD1 ASN A 12 -0.504 0.382 2.960 1.00 11.34 O ATOM 165 ND2 ASN A 12 -1.716 -1.042 1.717 1.00 61.22 N ATOM 166 H ASN A 12 -4.856 2.331 0.569 1.00 33.54 H ATOM 167 HA ASN A 12 -3.704 0.785 2.691 1.00 53.15 H ATOM 168 HB2 ASN A 12 -2.143 1.115 0.365 1.00 64.23 H ATOM 169 HB3 ASN A 12 -1.482 2.227 1.560 1.00 50.01 H ATOM 170 HD21 ASN A 12 -2.406 -1.129 1.026 1.00 0.31 H ATOM 171 HD22 ASN A 12 -1.273 -1.807 2.141 1.00 53.04 H ATOM 172 N CYS A 13 -4.701 3.549 2.647 1.00 0.43 N ATOM 173 CA CYS A 13 -4.891 4.845 3.288 1.00 0.11 C ATOM 174 C CYS A 13 -6.373 5.128 3.514 1.00 54.24 C ATOM 175 O CYS A 13 -6.796 5.526 4.588 1.00 44.14 O ATOM 176 CB CYS A 13 -4.273 5.955 2.436 1.00 65.25 C ATOM 177 SG CYS A 13 -2.767 6.690 3.151 1.00 51.24 S ATOM 178 H CYS A 13 -5.453 3.138 2.170 1.00 23.42 H ATOM 179 HA CYS A 13 -4.393 4.818 4.245 1.00 3.31 H ATOM 180 HB2 CYS A 13 -4.012 5.552 1.468 1.00 73.35 H ATOM 181 HB3 CYS A 13 -4.997 6.746 2.307 1.00 24.34 H HETATM 182 N NH2 A 14 -7.189 4.913 2.458 1.00 63.23 N HETATM 183 HN1 NH2 A 14 -8.172 5.083 2.550 1.00 72.51 H HETATM 184 HN2 NH2 A 14 -6.824 4.586 1.586 1.00 40.54 H TER 185 NH2 A 14 ENDMDL MODEL 3 ATOM 1 N MET A 1 1.051 0.001 -0.069 1.00 64.42 N ATOM 2 CA MET A 1 1.631 1.172 0.629 1.00 51.43 C ATOM 3 C MET A 1 1.628 2.384 -0.281 1.00 2.24 C ATOM 4 O MET A 1 2.123 2.261 -1.402 1.00 14.43 O ATOM 5 CB MET A 1 3.066 0.903 1.175 1.00 62.33 C ATOM 6 CG MET A 1 3.400 1.659 2.495 1.00 21.14 C ATOM 7 SD MET A 1 5.205 1.875 2.733 1.00 74.34 S ATOM 8 CE MET A 1 5.497 1.680 4.520 1.00 23.13 C ATOM 9 H1 MET A 1 1.203 -0.901 0.510 1.00 11.24 H ATOM 10 H2 MET A 1 -0.018 0.104 -0.164 1.00 13.55 H ATOM 11 H3 MET A 1 1.487 -0.096 -1.022 1.00 54.15 H ATOM 12 HA MET A 1 0.983 1.408 1.492 1.00 53.21 H ATOM 13 HB2 MET A 1 3.167 -0.181 1.352 1.00 75.21 H ATOM 14 HB3 MET A 1 3.796 1.169 0.395 1.00 4.45 H ATOM 15 HG2 MET A 1 2.849 2.606 2.584 1.00 42.15 H ATOM 16 HG3 MET A 1 3.102 1.031 3.351 1.00 53.32 H ATOM 17 HE1 MET A 1 5.750 0.633 4.741 1.00 54.03 H ATOM 18 HE2 MET A 1 6.303 2.340 4.875 1.00 70.31 H ATOM 19 HE3 MET A 1 4.571 1.935 5.057 1.00 40.13 H ATOM 20 N CYS A 2 1.099 3.522 0.155 1.00 14.40 N ATOM 21 CA CYS A 2 1.067 4.719 -0.677 1.00 14.32 C ATOM 22 C CYS A 2 1.878 5.845 -0.042 1.00 64.30 C ATOM 23 O CYS A 2 1.339 6.860 0.400 1.00 64.32 O ATOM 24 CB CYS A 2 -0.377 5.177 -0.894 1.00 33.45 C ATOM 25 SG CYS A 2 -1.548 3.817 -1.208 1.00 55.32 S ATOM 26 H CYS A 2 0.719 3.559 1.059 1.00 63.41 H ATOM 27 HA CYS A 2 1.504 4.471 -1.632 1.00 53.40 H ATOM 28 HB2 CYS A 2 -0.716 5.704 -0.013 1.00 62.52 H ATOM 29 HB3 CYS A 2 -0.412 5.844 -1.742 1.00 1.23 H ATOM 30 N PRO A 3 3.206 5.662 0.005 1.00 44.51 N ATOM 31 CA PRO A 3 4.121 6.652 0.582 1.00 23.44 C ATOM 32 C PRO A 3 4.226 7.912 -0.270 1.00 33.31 C ATOM 33 O PRO A 3 4.524 9.000 0.222 1.00 13.24 O ATOM 34 CB PRO A 3 5.463 5.916 0.616 1.00 3.23 C ATOM 35 CG PRO A 3 5.362 4.893 -0.461 1.00 73.44 C ATOM 36 CD PRO A 3 3.917 4.477 -0.503 1.00 22.02 C ATOM 37 HA PRO A 3 3.831 6.921 1.587 1.00 1.14 H ATOM 38 HB2 PRO A 3 6.265 6.616 0.424 1.00 72.42 H ATOM 39 HB3 PRO A 3 5.602 5.458 1.584 1.00 65.12 H ATOM 40 HG2 PRO A 3 5.655 5.324 -1.406 1.00 61.23 H ATOM 41 HG3 PRO A 3 5.988 4.046 -0.223 1.00 62.20 H ATOM 42 HD2 PRO A 3 3.618 4.252 -1.516 1.00 0.41 H ATOM 43 HD3 PRO A 3 3.751 3.625 0.139 1.00 23.53 H ATOM 44 N PRO A 4 3.975 7.764 -1.579 1.00 52.12 N ATOM 45 CA PRO A 4 4.034 8.881 -2.527 1.00 75.43 C ATOM 46 C PRO A 4 2.897 9.876 -2.322 1.00 11.13 C ATOM 47 O PRO A 4 3.016 11.051 -2.672 1.00 1.02 O ATOM 48 CB PRO A 4 3.905 8.196 -3.890 1.00 74.32 C ATOM 49 CG PRO A 4 3.179 6.925 -3.609 1.00 10.43 C ATOM 50 CD PRO A 4 3.614 6.496 -2.235 1.00 32.12 C ATOM 51 HA PRO A 4 4.979 9.399 -2.471 1.00 44.32 H ATOM 52 HB2 PRO A 4 3.345 8.830 -4.563 1.00 44.43 H ATOM 53 HB3 PRO A 4 4.887 8.007 -4.297 1.00 12.22 H ATOM 54 HG2 PRO A 4 2.114 7.099 -3.628 1.00 31.12 H ATOM 55 HG3 PRO A 4 3.452 6.178 -4.339 1.00 20.35 H ATOM 56 HD2 PRO A 4 2.800 6.011 -1.716 1.00 1.43 H ATOM 57 HD3 PRO A 4 4.468 5.838 -2.298 1.00 3.42 H ATOM 58 N LEU A 5 1.796 9.400 -1.752 1.00 35.21 N ATOM 59 CA LEU A 5 0.637 10.249 -1.499 1.00 35.11 C ATOM 60 C LEU A 5 -0.504 9.445 -0.882 1.00 65.44 C ATOM 61 O LEU A 5 -1.002 8.492 -1.483 1.00 44.23 O ATOM 62 CB LEU A 5 0.168 10.906 -2.798 1.00 53.22 C ATOM 63 CG LEU A 5 0.171 10.015 -4.040 1.00 75.44 C ATOM 64 CD1 LEU A 5 -1.235 9.880 -4.604 1.00 55.32 C ATOM 65 CD2 LEU A 5 1.119 10.570 -5.093 1.00 75.13 C ATOM 66 H LEU A 5 1.760 8.455 -1.495 1.00 13.32 H ATOM 67 HA LEU A 5 0.935 11.019 -0.803 1.00 64.40 H ATOM 68 HB2 LEU A 5 -0.841 11.257 -2.646 1.00 12.23 H ATOM 69 HB3 LEU A 5 0.815 11.750 -2.993 1.00 71.54 H ATOM 70 HG LEU A 5 0.515 9.027 -3.766 1.00 43.02 H ATOM 71 HD11 LEU A 5 -1.535 10.816 -5.051 1.00 12.35 H ATOM 72 HD12 LEU A 5 -1.920 9.625 -3.808 1.00 45.43 H ATOM 73 HD13 LEU A 5 -1.250 9.102 -5.354 1.00 1.34 H ATOM 74 HD21 LEU A 5 1.645 9.756 -5.569 1.00 75.13 H ATOM 75 HD22 LEU A 5 1.830 11.233 -4.623 1.00 32.41 H ATOM 76 HD23 LEU A 5 0.553 11.117 -5.834 1.00 61.43 H ATOM 77 N CYS A 6 -0.914 9.835 0.320 1.00 41.35 N ATOM 78 CA CYS A 6 -1.996 9.153 1.018 1.00 75.23 C ATOM 79 C CYS A 6 -3.352 9.554 0.443 1.00 32.24 C ATOM 80 O CYS A 6 -4.171 10.169 1.126 1.00 35.45 O ATOM 81 CB CYS A 6 -1.949 9.473 2.513 1.00 1.10 C ATOM 82 SG CYS A 6 -2.627 8.159 3.577 1.00 61.11 S ATOM 83 H CYS A 6 -0.478 10.602 0.748 1.00 5.13 H ATOM 84 HA CYS A 6 -1.862 8.091 0.882 1.00 63.44 H ATOM 85 HB2 CYS A 6 -0.922 9.635 2.806 1.00 23.31 H ATOM 86 HB3 CYS A 6 -2.516 10.373 2.699 1.00 75.11 H ATOM 87 N LYS A 7 -3.582 9.201 -0.817 1.00 33.02 N ATOM 88 CA LYS A 7 -4.838 9.521 -1.485 1.00 12.55 C ATOM 89 C LYS A 7 -5.937 8.546 -1.075 1.00 22.24 C ATOM 90 O LYS A 7 -5.674 7.450 -0.580 1.00 24.52 O ATOM 91 CB LYS A 7 -4.655 9.490 -3.003 1.00 44.45 C ATOM 92 CG LYS A 7 -4.546 10.869 -3.631 1.00 53.14 C ATOM 93 CD LYS A 7 -3.388 11.659 -3.046 1.00 64.13 C ATOM 94 CE LYS A 7 -3.876 12.864 -2.257 1.00 74.04 C ATOM 95 NZ LYS A 7 -2.872 13.963 -2.245 1.00 0.32 N ATOM 96 H LYS A 7 -2.890 8.712 -1.310 1.00 70.20 H ATOM 97 HA LYS A 7 -5.128 10.517 -1.186 1.00 11.42 H ATOM 98 HB2 LYS A 7 -3.754 8.941 -3.234 1.00 23.11 H ATOM 99 HB3 LYS A 7 -5.499 8.982 -3.446 1.00 32.22 H ATOM 100 HG2 LYS A 7 -4.393 10.760 -4.695 1.00 24.43 H ATOM 101 HG3 LYS A 7 -5.465 11.409 -3.452 1.00 52.34 H ATOM 102 HD2 LYS A 7 -2.822 11.017 -2.387 1.00 42.24 H ATOM 103 HD3 LYS A 7 -2.753 12.000 -3.852 1.00 2.21 H ATOM 104 HE2 LYS A 7 -4.788 13.226 -2.707 1.00 12.32 H ATOM 105 HE3 LYS A 7 -4.074 12.556 -1.241 1.00 43.21 H ATOM 106 HZ1 LYS A 7 -3.061 14.630 -3.020 1.00 73.54 H ATOM 107 HZ2 LYS A 7 -1.915 13.574 -2.362 1.00 62.43 H ATOM 108 HZ3 LYS A 7 -2.916 14.477 -1.342 1.00 10.21 H ATOM 109 N PRO A 8 -7.198 8.951 -1.286 1.00 20.44 N ATOM 110 CA PRO A 8 -8.361 8.126 -0.947 1.00 33.42 C ATOM 111 C PRO A 8 -8.495 6.910 -1.858 1.00 52.30 C ATOM 112 O PRO A 8 -8.157 6.969 -3.040 1.00 74.23 O ATOM 113 CB PRO A 8 -9.543 9.078 -1.149 1.00 5.03 C ATOM 114 CG PRO A 8 -9.056 10.080 -2.138 1.00 12.33 C ATOM 115 CD PRO A 8 -7.585 10.245 -1.872 1.00 34.24 C ATOM 116 HA PRO A 8 -8.331 7.800 0.083 1.00 42.42 H ATOM 117 HB2 PRO A 8 -10.392 8.527 -1.528 1.00 44.01 H ATOM 118 HB3 PRO A 8 -9.799 9.543 -0.209 1.00 11.41 H ATOM 119 HG2 PRO A 8 -9.217 9.715 -3.140 1.00 73.14 H ATOM 120 HG3 PRO A 8 -9.570 11.019 -1.992 1.00 33.13 H ATOM 121 HD2 PRO A 8 -7.053 10.426 -2.794 1.00 20.44 H ATOM 122 HD3 PRO A 8 -7.416 11.050 -1.172 1.00 13.11 H ATOM 123 N SER A 9 -8.991 5.810 -1.301 1.00 4.05 N ATOM 124 CA SER A 9 -9.166 4.579 -2.063 1.00 10.32 C ATOM 125 C SER A 9 -7.842 4.122 -2.668 1.00 54.02 C ATOM 126 O SER A 9 -7.791 3.681 -3.817 1.00 31.43 O ATOM 127 CB SER A 9 -10.203 4.783 -3.169 1.00 43.23 C ATOM 128 OG SER A 9 -10.623 3.542 -3.710 1.00 4.34 O ATOM 129 H SER A 9 -9.242 5.826 -0.353 1.00 43.01 H ATOM 130 HA SER A 9 -9.521 3.817 -1.385 1.00 3.31 H ATOM 131 HB2 SER A 9 -11.062 5.295 -2.764 1.00 32.20 H ATOM 132 HB3 SER A 9 -9.769 5.378 -3.960 1.00 2.42 H ATOM 133 HG SER A 9 -11.551 3.595 -3.948 1.00 60.53 H ATOM 134 N CYS A 10 -6.773 4.231 -1.887 1.00 61.13 N ATOM 135 CA CYS A 10 -5.448 3.830 -2.344 1.00 62.11 C ATOM 136 C CYS A 10 -5.132 2.401 -1.911 1.00 15.00 C ATOM 137 O CYS A 10 -4.022 1.909 -2.113 1.00 44.31 O ATOM 138 CB CYS A 10 -4.386 4.786 -1.798 1.00 1.24 C ATOM 139 SG CYS A 10 -2.786 4.695 -2.665 1.00 14.14 S ATOM 140 H CYS A 10 -6.877 4.590 -0.981 1.00 11.45 H ATOM 141 HA CYS A 10 -5.440 3.876 -3.422 1.00 74.14 H ATOM 142 HB2 CYS A 10 -4.748 5.801 -1.883 1.00 62.43 H ATOM 143 HB3 CYS A 10 -4.210 4.559 -0.757 1.00 3.45 H ATOM 144 N THR A 11 -6.118 1.738 -1.314 1.00 12.32 N ATOM 145 CA THR A 11 -5.947 0.367 -0.851 1.00 62.12 C ATOM 146 C THR A 11 -4.944 0.294 0.294 1.00 5.42 C ATOM 147 O THR A 11 -4.499 -0.788 0.675 1.00 15.20 O ATOM 148 CB THR A 11 -5.475 -0.556 -1.991 1.00 11.40 C ATOM 149 OG1 THR A 11 -6.160 -0.225 -3.204 1.00 43.33 O ATOM 150 CG2 THR A 11 -5.725 -2.016 -1.644 1.00 4.41 C ATOM 151 H THR A 11 -6.981 2.184 -1.181 1.00 43.13 H ATOM 152 HA THR A 11 -6.905 0.011 -0.501 1.00 62.21 H ATOM 153 HB THR A 11 -4.414 -0.411 -2.135 1.00 23.45 H ATOM 154 HG1 THR A 11 -5.696 -0.614 -3.950 1.00 34.22 H ATOM 155 HG21 THR A 11 -5.985 -2.558 -2.540 1.00 34.52 H ATOM 156 HG22 THR A 11 -6.535 -2.083 -0.934 1.00 33.34 H ATOM 157 HG23 THR A 11 -4.831 -2.441 -1.212 1.00 42.33 H ATOM 158 N ASN A 12 -4.591 1.454 0.840 1.00 21.31 N ATOM 159 CA ASN A 12 -3.639 1.521 1.943 1.00 13.03 C ATOM 160 C ASN A 12 -3.668 2.896 2.603 1.00 45.41 C ATOM 161 O ASN A 12 -2.669 3.349 3.163 1.00 44.32 O ATOM 162 CB ASN A 12 -2.226 1.211 1.445 1.00 73.10 C ATOM 163 CG ASN A 12 -1.445 0.351 2.420 1.00 51.30 C ATOM 164 OD1 ASN A 12 -1.133 0.780 3.531 1.00 52.31 O ATOM 165 ND2 ASN A 12 -1.125 -0.870 2.007 1.00 11.41 N ATOM 166 H ASN A 12 -4.979 2.284 0.493 1.00 73.20 H ATOM 167 HA ASN A 12 -3.925 0.779 2.673 1.00 31.41 H ATOM 168 HB2 ASN A 12 -2.291 0.685 0.503 1.00 4.13 H ATOM 169 HB3 ASN A 12 -1.690 2.137 1.300 1.00 75.32 H ATOM 170 HD21 ASN A 12 -1.407 -1.144 1.109 1.00 2.22 H ATOM 171 HD22 ASN A 12 -0.621 -1.447 2.618 1.00 43.23 H ATOM 172 N CYS A 13 -4.819 3.556 2.533 1.00 3.43 N ATOM 173 CA CYS A 13 -4.979 4.880 3.123 1.00 21.01 C ATOM 174 C CYS A 13 -6.454 5.203 3.343 1.00 31.41 C ATOM 175 O CYS A 13 -7.257 5.198 2.424 1.00 40.14 O ATOM 176 CB CYS A 13 -4.342 5.942 2.225 1.00 44.00 C ATOM 177 SG CYS A 13 -4.426 7.633 2.898 1.00 25.31 S ATOM 178 H CYS A 13 -5.580 3.143 2.073 1.00 12.13 H ATOM 179 HA CYS A 13 -4.477 4.881 4.079 1.00 63.45 H ATOM 180 HB2 CYS A 13 -3.299 5.699 2.078 1.00 52.44 H ATOM 181 HB3 CYS A 13 -4.844 5.943 1.269 1.00 32.21 H HETATM 182 N NH2 A 14 -6.818 5.493 4.612 1.00 61.14 N HETATM 183 HN1 NH2 A 14 -7.775 5.712 4.813 1.00 2.54 H HETATM 184 HN2 NH2 A 14 -6.145 5.491 5.352 1.00 54.52 H TER 185 NH2 A 14 ENDMDL MODEL 4 ATOM 1 N MET A 1 1.711 -0.154 -0.425 1.00 22.43 N ATOM 2 CA MET A 1 1.700 1.073 0.405 1.00 14.23 C ATOM 3 C MET A 1 1.693 2.307 -0.475 1.00 23.55 C ATOM 4 O MET A 1 2.163 2.205 -1.608 1.00 74.24 O ATOM 5 CB MET A 1 2.884 1.130 1.417 1.00 2.55 C ATOM 6 CG MET A 1 2.645 2.082 2.628 1.00 40.12 C ATOM 7 SD MET A 1 3.956 1.928 3.899 1.00 31.14 S ATOM 8 CE MET A 1 3.459 3.031 5.261 1.00 12.24 C ATOM 9 H1 MET A 1 2.522 -0.807 -0.128 1.00 43.20 H ATOM 10 H2 MET A 1 0.811 -0.728 -0.269 1.00 55.42 H ATOM 11 H3 MET A 1 1.799 0.105 -1.441 1.00 32.21 H ATOM 12 HA MET A 1 0.761 1.080 0.988 1.00 54.35 H ATOM 13 HB2 MET A 1 3.059 0.110 1.798 1.00 55.21 H ATOM 14 HB3 MET A 1 3.795 1.432 0.878 1.00 21.02 H ATOM 15 HG2 MET A 1 2.486 3.123 2.314 1.00 52.43 H ATOM 16 HG3 MET A 1 1.734 1.762 3.158 1.00 34.03 H ATOM 17 HE1 MET A 1 3.391 2.456 6.196 1.00 52.23 H ATOM 18 HE2 MET A 1 4.165 3.865 5.388 1.00 42.11 H ATOM 19 HE3 MET A 1 2.464 3.443 5.033 1.00 4.31 H ATOM 20 N CYS A 2 1.188 3.440 -0.001 1.00 15.33 N ATOM 21 CA CYS A 2 1.153 4.657 -0.803 1.00 4.12 C ATOM 22 C CYS A 2 1.990 5.758 -0.157 1.00 31.00 C ATOM 23 O CYS A 2 1.471 6.769 0.317 1.00 42.12 O ATOM 24 CB CYS A 2 -0.289 5.135 -0.981 1.00 10.44 C ATOM 25 SG CYS A 2 -1.482 3.796 -1.300 1.00 52.52 S ATOM 26 H CYS A 2 0.828 3.459 0.912 1.00 52.33 H ATOM 27 HA CYS A 2 1.569 4.428 -1.772 1.00 24.31 H ATOM 28 HB2 CYS A 2 -0.604 5.647 -0.083 1.00 3.23 H ATOM 29 HB3 CYS A 2 -0.333 5.821 -1.814 1.00 3.23 H ATOM 30 N PRO A 3 3.316 5.559 -0.137 1.00 61.42 N ATOM 31 CA PRO A 3 4.253 6.523 0.447 1.00 50.24 C ATOM 32 C PRO A 3 4.359 7.801 -0.379 1.00 13.02 C ATOM 33 O PRO A 3 4.680 8.874 0.132 1.00 15.15 O ATOM 34 CB PRO A 3 5.586 5.771 0.441 1.00 61.03 C ATOM 35 CG PRO A 3 5.453 4.773 -0.658 1.00 4.52 C ATOM 36 CD PRO A 3 4.003 4.376 -0.684 1.00 3.44 C ATOM 37 HA PRO A 3 3.983 6.773 1.462 1.00 3.33 H ATOM 38 HB2 PRO A 3 6.393 6.465 0.250 1.00 31.22 H ATOM 39 HB3 PRO A 3 5.736 5.289 1.395 1.00 10.21 H ATOM 40 HG2 PRO A 3 5.736 5.222 -1.598 1.00 1.53 H ATOM 41 HG3 PRO A 3 6.073 3.914 -0.449 1.00 62.15 H ATOM 42 HD2 PRO A 3 3.684 4.179 -1.696 1.00 61.42 H ATOM 43 HD3 PRO A 3 3.838 3.512 -0.058 1.00 74.31 H ATOM 44 N PRO A 4 4.083 7.686 -1.686 1.00 55.43 N ATOM 45 CA PRO A 4 4.139 8.823 -2.610 1.00 11.41 C ATOM 46 C PRO A 4 3.019 9.828 -2.361 1.00 43.33 C ATOM 47 O PRO A 4 3.150 11.011 -2.681 1.00 21.30 O ATOM 48 CB PRO A 4 3.977 8.172 -3.985 1.00 72.53 C ATOM 49 CG PRO A 4 3.240 6.904 -3.719 1.00 53.44 C ATOM 50 CD PRO A 4 3.693 6.438 -2.364 1.00 3.23 C ATOM 51 HA PRO A 4 5.092 9.329 -2.559 1.00 64.33 H ATOM 52 HB2 PRO A 4 3.414 8.828 -4.634 1.00 10.43 H ATOM 53 HB3 PRO A 4 4.949 7.980 -4.414 1.00 30.02 H ATOM 54 HG2 PRO A 4 2.177 7.092 -3.715 1.00 72.24 H ATOM 55 HG3 PRO A 4 3.490 6.170 -4.471 1.00 11.12 H ATOM 56 HD2 PRO A 4 2.883 5.952 -1.841 1.00 52.31 H ATOM 57 HD3 PRO A 4 4.538 5.772 -2.457 1.00 70.50 H ATOM 58 N LEU A 5 1.919 9.352 -1.789 1.00 62.43 N ATOM 59 CA LEU A 5 0.776 10.209 -1.497 1.00 52.10 C ATOM 60 C LEU A 5 -0.365 9.405 -0.881 1.00 62.14 C ATOM 61 O LEU A 5 -0.884 8.473 -1.496 1.00 71.14 O ATOM 62 CB LEU A 5 0.295 10.904 -2.772 1.00 71.33 C ATOM 63 CG LEU A 5 0.292 10.050 -4.041 1.00 53.30 C ATOM 64 CD1 LEU A 5 -1.110 9.967 -4.625 1.00 31.45 C ATOM 65 CD2 LEU A 5 1.265 10.614 -5.066 1.00 2.43 C ATOM 66 H LEU A 5 1.874 8.401 -1.558 1.00 33.04 H ATOM 67 HA LEU A 5 1.096 10.958 -0.788 1.00 30.22 H ATOM 68 HB2 LEU A 5 -0.714 11.246 -2.602 1.00 11.12 H ATOM 69 HB3 LEU A 5 0.938 11.755 -2.946 1.00 54.15 H ATOM 70 HG LEU A 5 0.610 9.047 -3.793 1.00 71.12 H ATOM 71 HD11 LEU A 5 -1.120 9.255 -5.436 1.00 52.22 H ATOM 72 HD12 LEU A 5 -1.405 10.938 -4.993 1.00 60.13 H ATOM 73 HD13 LEU A 5 -1.801 9.649 -3.857 1.00 61.53 H ATOM 74 HD21 LEU A 5 1.126 10.110 -6.010 1.00 53.22 H ATOM 75 HD22 LEU A 5 2.278 10.462 -4.722 1.00 35.13 H ATOM 76 HD23 LEU A 5 1.083 11.672 -5.191 1.00 2.12 H ATOM 77 N CYS A 6 -0.752 9.772 0.336 1.00 45.45 N ATOM 78 CA CYS A 6 -1.832 9.087 1.035 1.00 42.23 C ATOM 79 C CYS A 6 -3.191 9.517 0.490 1.00 0.44 C ATOM 80 O CYS A 6 -3.964 10.186 1.177 1.00 40.45 O ATOM 81 CB CYS A 6 -1.758 9.373 2.536 1.00 62.11 C ATOM 82 SG CYS A 6 -2.965 8.439 3.531 1.00 42.22 S ATOM 83 H CYS A 6 -0.299 10.524 0.775 1.00 62.50 H ATOM 84 HA CYS A 6 -1.712 8.027 0.873 1.00 72.15 H ATOM 85 HB2 CYS A 6 -0.771 9.119 2.895 1.00 61.44 H ATOM 86 HB3 CYS A 6 -1.936 10.425 2.704 1.00 70.33 H ATOM 87 N LYS A 7 -3.476 9.128 -0.748 1.00 12.43 N ATOM 88 CA LYS A 7 -4.742 9.471 -1.385 1.00 42.25 C ATOM 89 C LYS A 7 -5.843 8.503 -0.965 1.00 63.53 C ATOM 90 O LYS A 7 -5.582 7.398 -0.488 1.00 0.25 O ATOM 91 CB LYS A 7 -4.589 9.457 -2.908 1.00 54.31 C ATOM 92 CG LYS A 7 -4.481 10.843 -3.521 1.00 74.33 C ATOM 93 CD LYS A 7 -3.293 11.608 -2.964 1.00 0.11 C ATOM 94 CE LYS A 7 -3.738 12.816 -2.154 1.00 32.13 C ATOM 95 NZ LYS A 7 -3.678 14.072 -2.952 1.00 35.32 N ATOM 96 H LYS A 7 -2.819 8.596 -1.245 1.00 12.53 H ATOM 97 HA LYS A 7 -5.014 10.466 -1.068 1.00 53.45 H ATOM 98 HB2 LYS A 7 -3.699 8.903 -3.164 1.00 24.33 H ATOM 99 HB3 LYS A 7 -5.448 8.962 -3.339 1.00 64.22 H ATOM 100 HG2 LYS A 7 -4.364 10.745 -4.590 1.00 42.43 H ATOM 101 HG3 LYS A 7 -5.386 11.393 -3.305 1.00 51.44 H ATOM 102 HD2 LYS A 7 -2.720 10.952 -2.325 1.00 74.14 H ATOM 103 HD3 LYS A 7 -2.675 11.944 -3.785 1.00 31.12 H ATOM 104 HE2 LYS A 7 -4.753 12.657 -1.824 1.00 13.34 H ATOM 105 HE3 LYS A 7 -3.092 12.914 -1.294 1.00 45.43 H ATOM 106 HZ1 LYS A 7 -4.606 14.268 -3.379 1.00 1.30 H ATOM 107 HZ2 LYS A 7 -2.972 13.980 -3.710 1.00 21.25 H ATOM 108 HZ3 LYS A 7 -3.413 14.871 -2.341 1.00 73.34 H ATOM 109 N PRO A 8 -7.103 8.923 -1.148 1.00 33.12 N ATOM 110 CA PRO A 8 -8.269 8.106 -0.796 1.00 2.31 C ATOM 111 C PRO A 8 -8.433 6.903 -1.718 1.00 22.44 C ATOM 112 O PRO A 8 -8.138 6.977 -2.910 1.00 43.33 O ATOM 113 CB PRO A 8 -9.443 9.073 -0.965 1.00 14.21 C ATOM 114 CG PRO A 8 -8.965 10.081 -1.952 1.00 52.21 C ATOM 115 CD PRO A 8 -7.488 10.227 -1.712 1.00 40.43 C ATOM 116 HA PRO A 8 -8.222 7.769 0.229 1.00 12.54 H ATOM 117 HB2 PRO A 8 -10.305 8.535 -1.334 1.00 53.31 H ATOM 118 HB3 PRO A 8 -9.677 9.531 -0.015 1.00 71.25 H ATOM 119 HG2 PRO A 8 -9.149 9.729 -2.955 1.00 72.45 H ATOM 120 HG3 PRO A 8 -9.466 11.023 -1.786 1.00 54.41 H ATOM 121 HD2 PRO A 8 -6.971 10.413 -2.642 1.00 72.32 H ATOM 122 HD3 PRO A 8 -7.297 11.023 -1.007 1.00 51.13 H ATOM 123 N SER A 9 -8.906 5.794 -1.157 1.00 42.01 N ATOM 124 CA SER A 9 -9.106 4.573 -1.929 1.00 21.15 C ATOM 125 C SER A 9 -7.800 4.117 -2.572 1.00 71.23 C ATOM 126 O SER A 9 -7.781 3.677 -3.723 1.00 15.55 O ATOM 127 CB SER A 9 -10.169 4.794 -3.006 1.00 71.22 C ATOM 128 OG SER A 9 -11.474 4.698 -2.462 1.00 72.34 O ATOM 129 H SER A 9 -9.123 5.797 -0.201 1.00 43.11 H ATOM 130 HA SER A 9 -9.447 3.805 -1.251 1.00 21.34 H ATOM 131 HB2 SER A 9 -10.043 5.775 -3.437 1.00 11.53 H ATOM 132 HB3 SER A 9 -10.057 4.045 -3.777 1.00 50.33 H ATOM 133 HG SER A 9 -11.859 5.575 -2.395 1.00 64.22 H ATOM 134 N CYS A 10 -6.709 4.225 -1.822 1.00 23.50 N ATOM 135 CA CYS A 10 -5.397 3.824 -2.317 1.00 52.51 C ATOM 136 C CYS A 10 -5.083 2.384 -1.923 1.00 51.10 C ATOM 137 O CYS A 10 -3.989 1.882 -2.182 1.00 60.42 O ATOM 138 CB CYS A 10 -4.316 4.761 -1.773 1.00 73.14 C ATOM 139 SG CYS A 10 -2.732 4.667 -2.669 1.00 15.24 S ATOM 140 H CYS A 10 -6.787 4.582 -0.912 1.00 51.40 H ATOM 141 HA CYS A 10 -5.413 3.895 -3.394 1.00 74.51 H ATOM 142 HB2 CYS A 10 -4.669 5.780 -1.837 1.00 2.21 H ATOM 143 HB3 CYS A 10 -4.125 4.515 -0.739 1.00 51.53 H ATOM 144 N THR A 11 -6.051 1.724 -1.295 1.00 21.23 N ATOM 145 CA THR A 11 -5.878 0.342 -0.864 1.00 14.32 C ATOM 146 C THR A 11 -4.828 0.236 0.235 1.00 4.24 C ATOM 147 O THR A 11 -4.385 -0.859 0.580 1.00 43.51 O ATOM 148 CB THR A 11 -5.469 -0.566 -2.039 1.00 13.22 C ATOM 149 OG1 THR A 11 -6.202 -0.205 -3.215 1.00 41.10 O ATOM 150 CG2 THR A 11 -5.723 -2.028 -1.706 1.00 63.42 C ATOM 151 H THR A 11 -6.901 2.178 -1.117 1.00 5.43 H ATOM 152 HA THR A 11 -6.825 -0.008 -0.478 1.00 52.45 H ATOM 153 HB THR A 11 -4.413 -0.432 -2.226 1.00 74.34 H ATOM 154 HG1 THR A 11 -5.875 -0.711 -3.963 1.00 55.43 H ATOM 155 HG21 THR A 11 -6.059 -2.111 -0.684 1.00 24.54 H ATOM 156 HG22 THR A 11 -4.809 -2.590 -1.831 1.00 44.21 H ATOM 157 HG23 THR A 11 -6.480 -2.422 -2.367 1.00 54.24 H ATOM 158 N ASN A 12 -4.433 1.381 0.783 1.00 51.21 N ATOM 159 CA ASN A 12 -3.433 1.416 1.844 1.00 14.53 C ATOM 160 C ASN A 12 -3.469 2.752 2.581 1.00 45.25 C ATOM 161 O ASN A 12 -2.468 3.184 3.154 1.00 32.14 O ATOM 162 CB ASN A 12 -2.037 1.176 1.266 1.00 12.44 C ATOM 163 CG ASN A 12 -1.294 0.071 1.991 1.00 61.32 C ATOM 164 OD1 ASN A 12 -0.451 0.333 2.849 1.00 33.12 O ATOM 165 ND2 ASN A 12 -1.604 -1.174 1.647 1.00 64.02 N ATOM 166 H ASN A 12 -4.823 2.223 0.466 1.00 61.43 H ATOM 167 HA ASN A 12 -3.665 0.627 2.543 1.00 5.04 H ATOM 168 HB2 ASN A 12 -2.127 0.901 0.226 1.00 75.03 H ATOM 169 HB3 ASN A 12 -1.460 2.085 1.345 1.00 1.33 H ATOM 170 HD21 ASN A 12 -2.285 -1.308 0.955 1.00 44.44 H ATOM 171 HD22 ASN A 12 -1.139 -1.908 2.100 1.00 63.23 H ATOM 172 N CYS A 13 -4.627 3.402 2.560 1.00 13.34 N ATOM 173 CA CYS A 13 -4.795 4.689 3.226 1.00 64.25 C ATOM 174 C CYS A 13 -6.271 4.985 3.474 1.00 22.44 C ATOM 175 O CYS A 13 -6.962 5.550 2.642 1.00 11.13 O ATOM 176 CB CYS A 13 -4.174 5.806 2.384 1.00 31.03 C ATOM 177 SG CYS A 13 -2.653 6.513 3.094 1.00 43.42 S ATOM 178 H CYS A 13 -5.390 3.007 2.086 1.00 5.10 H ATOM 179 HA CYS A 13 -4.285 4.640 4.176 1.00 41.13 H ATOM 180 HB2 CYS A 13 -3.929 5.416 1.407 1.00 54.42 H ATOM 181 HB3 CYS A 13 -4.891 6.607 2.278 1.00 60.52 H HETATM 182 N NH2 A 14 -6.766 4.585 4.667 1.00 41.15 N HETATM 183 HN1 NH2 A 14 -7.730 4.754 4.883 1.00 41.00 H HETATM 184 HN2 NH2 A 14 -6.184 4.123 5.336 1.00 43.14 H TER 185 NH2 A 14 ENDMDL MODEL 5 ATOM 1 N MET A 1 0.929 0.073 -0.080 1.00 55.45 N ATOM 2 CA MET A 1 1.643 1.200 0.565 1.00 32.24 C ATOM 3 C MET A 1 1.635 2.417 -0.336 1.00 44.32 C ATOM 4 O MET A 1 2.121 2.301 -1.462 1.00 25.14 O ATOM 5 CB MET A 1 3.101 0.835 0.978 1.00 64.54 C ATOM 6 CG MET A 1 3.582 1.513 2.296 1.00 72.34 C ATOM 7 SD MET A 1 3.231 0.484 3.771 1.00 24.33 S ATOM 8 CE MET A 1 4.508 0.920 4.996 1.00 42.34 C ATOM 9 H1 MET A 1 -0.110 0.328 -0.250 1.00 3.14 H ATOM 10 H2 MET A 1 1.338 -0.126 -1.059 1.00 31.24 H ATOM 11 H3 MET A 1 1.004 -0.787 0.521 1.00 4.20 H ATOM 12 HA MET A 1 1.092 1.469 1.485 1.00 71.53 H ATOM 13 HB2 MET A 1 3.158 -0.260 1.101 1.00 11.13 H ATOM 14 HB3 MET A 1 3.779 1.100 0.152 1.00 72.44 H ATOM 15 HG2 MET A 1 4.634 1.826 2.243 1.00 0.21 H ATOM 16 HG3 MET A 1 2.982 2.421 2.468 1.00 45.41 H ATOM 17 HE1 MET A 1 4.374 1.964 5.312 1.00 42.43 H ATOM 18 HE2 MET A 1 4.473 0.258 5.873 1.00 4.14 H ATOM 19 HE3 MET A 1 5.496 0.824 4.521 1.00 41.33 H ATOM 20 N CYS A 2 1.111 3.554 0.111 1.00 72.45 N ATOM 21 CA CYS A 2 1.075 4.756 -0.713 1.00 74.34 C ATOM 22 C CYS A 2 1.890 5.877 -0.076 1.00 12.14 C ATOM 23 O CYS A 2 1.353 6.891 0.372 1.00 25.33 O ATOM 24 CB CYS A 2 -0.370 5.215 -0.920 1.00 33.52 C ATOM 25 SG CYS A 2 -1.544 3.857 -1.232 1.00 31.23 S ATOM 26 H CYS A 2 0.738 3.585 1.017 1.00 22.44 H ATOM 27 HA CYS A 2 1.507 4.514 -1.672 1.00 52.04 H ATOM 28 HB2 CYS A 2 -0.703 5.739 -0.036 1.00 31.23 H ATOM 29 HB3 CYS A 2 -0.410 5.885 -1.766 1.00 23.24 H ATOM 30 N PRO A 3 3.218 5.693 -0.033 1.00 74.31 N ATOM 31 CA PRO A 3 4.135 6.678 0.547 1.00 65.24 C ATOM 32 C PRO A 3 4.240 7.942 -0.300 1.00 75.31 C ATOM 33 O PRO A 3 4.541 9.027 0.196 1.00 4.23 O ATOM 34 CB PRO A 3 5.477 5.940 0.573 1.00 15.25 C ATOM 35 CG PRO A 3 5.371 4.922 -0.509 1.00 34.14 C ATOM 36 CD PRO A 3 3.925 4.508 -0.548 1.00 43.52 C ATOM 37 HA PRO A 3 3.848 6.943 1.554 1.00 44.04 H ATOM 38 HB2 PRO A 3 6.279 6.639 0.382 1.00 15.32 H ATOM 39 HB3 PRO A 3 5.618 5.477 1.539 1.00 54.35 H ATOM 40 HG2 PRO A 3 5.662 5.357 -1.452 1.00 41.03 H ATOM 41 HG3 PRO A 3 5.996 4.073 -0.276 1.00 5.01 H ATOM 42 HD2 PRO A 3 3.623 4.289 -1.561 1.00 42.15 H ATOM 43 HD3 PRO A 3 3.760 3.653 0.090 1.00 11.34 H ATOM 44 N PRO A 4 3.984 7.801 -1.609 1.00 73.32 N ATOM 45 CA PRO A 4 4.041 8.922 -2.552 1.00 64.52 C ATOM 46 C PRO A 4 2.908 9.918 -2.338 1.00 14.40 C ATOM 47 O PRO A 4 3.030 11.096 -2.679 1.00 34.24 O ATOM 48 CB PRO A 4 3.906 8.243 -3.918 1.00 3.42 C ATOM 49 CG PRO A 4 3.179 6.973 -3.640 1.00 0.32 C ATOM 50 CD PRO A 4 3.618 6.536 -2.269 1.00 52.45 C ATOM 51 HA PRO A 4 4.989 9.438 -2.497 1.00 55.10 H ATOM 52 HB2 PRO A 4 3.346 8.882 -4.586 1.00 10.30 H ATOM 53 HB3 PRO A 4 4.887 8.055 -4.329 1.00 34.12 H ATOM 54 HG2 PRO A 4 2.114 7.149 -3.654 1.00 62.04 H ATOM 55 HG3 PRO A 4 3.448 6.228 -4.374 1.00 40.41 H ATOM 56 HD2 PRO A 4 2.805 6.051 -1.750 1.00 11.12 H ATOM 57 HD3 PRO A 4 4.471 5.877 -2.339 1.00 12.44 H ATOM 58 N LEU A 5 1.805 9.440 -1.771 1.00 41.45 N ATOM 59 CA LEU A 5 0.649 10.290 -1.511 1.00 15.51 C ATOM 60 C LEU A 5 -0.491 9.485 -0.895 1.00 11.53 C ATOM 61 O LEU A 5 -0.994 8.538 -1.499 1.00 70.13 O ATOM 62 CB LEU A 5 0.177 10.955 -2.806 1.00 21.33 C ATOM 63 CG LEU A 5 0.199 10.077 -4.057 1.00 64.43 C ATOM 64 CD1 LEU A 5 -1.194 9.966 -4.656 1.00 70.44 C ATOM 65 CD2 LEU A 5 1.179 10.632 -5.081 1.00 23.53 C ATOM 66 H LEU A 5 1.767 8.494 -1.522 1.00 70.10 H ATOM 67 HA LEU A 5 0.951 11.056 -0.812 1.00 40.44 H ATOM 68 HB2 LEU A 5 -0.838 11.289 -2.655 1.00 3.40 H ATOM 69 HB3 LEU A 5 0.813 11.809 -2.988 1.00 51.45 H ATOM 70 HG LEU A 5 0.525 9.082 -3.786 1.00 25.13 H ATOM 71 HD11 LEU A 5 -1.174 9.279 -5.489 1.00 51.01 H ATOM 72 HD12 LEU A 5 -1.517 10.938 -4.999 1.00 30.43 H ATOM 73 HD13 LEU A 5 -1.881 9.602 -3.906 1.00 4.44 H ATOM 74 HD21 LEU A 5 0.984 11.683 -5.233 1.00 24.44 H ATOM 75 HD22 LEU A 5 1.060 10.104 -6.016 1.00 32.04 H ATOM 76 HD23 LEU A 5 2.189 10.500 -4.720 1.00 43.10 H ATOM 77 N CYS A 6 -0.896 9.870 0.311 1.00 3.12 N ATOM 78 CA CYS A 6 -1.977 9.186 1.010 1.00 53.24 C ATOM 79 C CYS A 6 -3.334 9.593 0.442 1.00 72.21 C ATOM 80 O CYS A 6 -4.122 10.265 1.108 1.00 74.34 O ATOM 81 CB CYS A 6 -1.924 9.499 2.506 1.00 20.23 C ATOM 82 SG CYS A 6 -3.132 8.569 3.504 1.00 60.03 S ATOM 83 H CYS A 6 -0.456 10.633 0.743 1.00 44.23 H ATOM 84 HA CYS A 6 -1.845 8.124 0.868 1.00 51.54 H ATOM 85 HB2 CYS A 6 -0.939 9.262 2.881 1.00 45.13 H ATOM 86 HB3 CYS A 6 -2.116 10.551 2.654 1.00 41.35 H ATOM 87 N LYS A 7 -3.600 9.180 -0.793 1.00 12.42 N ATOM 88 CA LYS A 7 -4.861 9.499 -1.451 1.00 54.14 C ATOM 89 C LYS A 7 -5.956 8.524 -1.030 1.00 55.25 C ATOM 90 O LYS A 7 -5.689 7.430 -0.533 1.00 13.22 O ATOM 91 CB LYS A 7 -4.690 9.464 -2.972 1.00 3.33 C ATOM 92 CG LYS A 7 -4.592 10.842 -3.604 1.00 74.45 C ATOM 93 CD LYS A 7 -3.410 11.624 -3.058 1.00 12.21 C ATOM 94 CE LYS A 7 -3.865 12.794 -2.199 1.00 33.13 C ATOM 95 NZ LYS A 7 -2.935 13.952 -2.302 1.00 14.55 N ATOM 96 H LYS A 7 -2.932 8.647 -1.273 1.00 44.40 H ATOM 97 HA LYS A 7 -5.149 10.496 -1.153 1.00 31.32 H ATOM 98 HB2 LYS A 7 -3.788 8.918 -3.208 1.00 14.03 H ATOM 99 HB3 LYS A 7 -5.536 8.951 -3.406 1.00 24.23 H ATOM 100 HG2 LYS A 7 -4.474 10.730 -4.672 1.00 3.00 H ATOM 101 HG3 LYS A 7 -5.501 11.388 -3.397 1.00 14.24 H ATOM 102 HD2 LYS A 7 -2.801 10.966 -2.456 1.00 41.23 H ATOM 103 HD3 LYS A 7 -2.826 12.002 -3.885 1.00 53.23 H ATOM 104 HE2 LYS A 7 -4.847 13.102 -2.524 1.00 33.45 H ATOM 105 HE3 LYS A 7 -3.912 12.470 -1.169 1.00 44.52 H ATOM 106 HZ1 LYS A 7 -2.920 14.479 -1.405 1.00 50.32 H ATOM 107 HZ2 LYS A 7 -3.244 14.592 -3.062 1.00 32.51 H ATOM 108 HZ3 LYS A 7 -1.973 13.620 -2.513 1.00 0.51 H ATOM 109 N PRO A 8 -7.219 8.927 -1.235 1.00 54.20 N ATOM 110 CA PRO A 8 -8.380 8.103 -0.885 1.00 61.44 C ATOM 111 C PRO A 8 -8.519 6.883 -1.791 1.00 4.52 C ATOM 112 O PRO A 8 -8.204 6.942 -2.979 1.00 52.25 O ATOM 113 CB PRO A 8 -9.563 9.053 -1.084 1.00 11.33 C ATOM 114 CG PRO A 8 -9.084 10.052 -2.080 1.00 21.11 C ATOM 115 CD PRO A 8 -7.612 10.219 -1.824 1.00 24.32 C ATOM 116 HA PRO A 8 -8.342 7.782 0.145 1.00 35.33 H ATOM 117 HB2 PRO A 8 -10.414 8.500 -1.455 1.00 52.14 H ATOM 118 HB3 PRO A 8 -9.814 9.522 -0.144 1.00 50.32 H ATOM 119 HG2 PRO A 8 -9.251 9.682 -3.080 1.00 52.21 H ATOM 120 HG3 PRO A 8 -9.598 10.991 -1.934 1.00 62.45 H ATOM 121 HD2 PRO A 8 -7.085 10.396 -2.750 1.00 12.00 H ATOM 122 HD3 PRO A 8 -7.439 11.027 -1.129 1.00 23.14 H ATOM 123 N SER A 9 -8.992 5.780 -1.221 1.00 24.30 N ATOM 124 CA SER A 9 -9.169 4.545 -1.977 1.00 2.15 C ATOM 125 C SER A 9 -7.851 4.096 -2.601 1.00 0.34 C ATOM 126 O SER A 9 -7.816 3.638 -3.743 1.00 23.20 O ATOM 127 CB SER A 9 -10.224 4.737 -3.068 1.00 3.12 C ATOM 128 OG SER A 9 -10.884 3.518 -3.359 1.00 70.50 O ATOM 129 H SER A 9 -9.225 5.796 -0.269 1.00 25.31 H ATOM 130 HA SER A 9 -9.507 3.783 -1.291 1.00 31.41 H ATOM 131 HB2 SER A 9 -10.955 5.458 -2.735 1.00 71.21 H ATOM 132 HB3 SER A 9 -9.746 5.098 -3.967 1.00 63.11 H ATOM 133 HG SER A 9 -11.410 3.249 -2.602 1.00 40.30 H ATOM 134 N CYS A 10 -6.768 4.232 -1.842 1.00 72.44 N ATOM 135 CA CYS A 10 -5.447 3.841 -2.319 1.00 2.42 C ATOM 136 C CYS A 10 -5.118 2.411 -1.901 1.00 13.04 C ATOM 137 O CYS A 10 -4.018 1.917 -2.147 1.00 65.20 O ATOM 138 CB CYS A 10 -4.383 4.799 -1.778 1.00 53.43 C ATOM 139 SG CYS A 10 -2.788 4.711 -2.654 1.00 74.50 S ATOM 140 H CYS A 10 -6.860 4.604 -0.939 1.00 62.34 H ATOM 141 HA CYS A 10 -5.453 3.896 -3.397 1.00 31.43 H ATOM 142 HB2 CYS A 10 -4.747 5.813 -1.862 1.00 52.22 H ATOM 143 HB3 CYS A 10 -4.201 4.573 -0.738 1.00 60.12 H ATOM 144 N THR A 11 -6.081 1.750 -1.266 1.00 75.20 N ATOM 145 CA THR A 11 -5.895 0.377 -0.813 1.00 15.34 C ATOM 146 C THR A 11 -4.848 0.300 0.292 1.00 11.43 C ATOM 147 O THR A 11 -4.394 -0.784 0.655 1.00 10.35 O ATOM 148 CB THR A 11 -5.471 -0.545 -1.971 1.00 53.44 C ATOM 149 OG1 THR A 11 -6.203 -0.210 -3.156 1.00 62.42 O ATOM 150 CG2 THR A 11 -5.710 -2.004 -1.617 1.00 31.52 C ATOM 151 H THR A 11 -6.937 2.198 -1.099 1.00 21.41 H ATOM 152 HA THR A 11 -6.840 0.023 -0.426 1.00 1.04 H ATOM 153 HB THR A 11 -4.416 -0.402 -2.157 1.00 32.43 H ATOM 154 HG1 THR A 11 -6.023 -0.862 -3.838 1.00 32.51 H ATOM 155 HG21 THR A 11 -4.825 -2.579 -1.843 1.00 43.13 H ATOM 156 HG22 THR A 11 -6.542 -2.384 -2.192 1.00 43.53 H ATOM 157 HG23 THR A 11 -5.934 -2.087 -0.564 1.00 25.15 H ATOM 158 N ASN A 12 -4.469 1.458 0.824 1.00 52.22 N ATOM 159 CA ASN A 12 -3.475 1.521 1.888 1.00 5.45 C ATOM 160 C ASN A 12 -3.539 2.862 2.615 1.00 73.44 C ATOM 161 O ASN A 12 -2.551 3.316 3.192 1.00 31.33 O ATOM 162 CB ASN A 12 -2.072 1.305 1.318 1.00 45.24 C ATOM 163 CG ASN A 12 -1.359 0.132 1.963 1.00 10.42 C ATOM 164 OD1 ASN A 12 -1.504 -1.011 1.530 1.00 3.12 O ATOM 165 ND2 ASN A 12 -0.585 0.412 3.005 1.00 25.21 N ATOM 166 H ASN A 12 -4.867 2.290 0.492 1.00 34.01 H ATOM 167 HA ASN A 12 -3.692 0.733 2.593 1.00 74.44 H ATOM 168 HB2 ASN A 12 -2.147 1.116 0.257 1.00 65.24 H ATOM 169 HB3 ASN A 12 -1.482 2.195 1.480 1.00 60.15 H ATOM 170 HD21 ASN A 12 -0.517 1.346 3.295 1.00 20.30 H ATOM 171 HD22 ASN A 12 -0.112 -0.328 3.441 1.00 4.51 H ATOM 172 N CYS A 13 -4.709 3.490 2.582 1.00 55.24 N ATOM 173 CA CYS A 13 -4.905 4.778 3.236 1.00 40.21 C ATOM 174 C CYS A 13 -6.388 5.048 3.473 1.00 50.40 C ATOM 175 O CYS A 13 -6.796 5.518 4.523 1.00 2.51 O ATOM 176 CB CYS A 13 -4.300 5.900 2.390 1.00 4.55 C ATOM 177 SG CYS A 13 -2.795 6.640 3.104 1.00 71.24 S ATOM 178 H CYS A 13 -5.461 3.078 2.105 1.00 60.33 H ATOM 179 HA CYS A 13 -4.401 4.746 4.190 1.00 62.13 H ATOM 180 HB2 CYS A 13 -4.042 5.509 1.417 1.00 34.41 H ATOM 181 HB3 CYS A 13 -5.030 6.687 2.274 1.00 10.43 H HETATM 182 N NH2 A 14 -7.221 4.737 2.455 1.00 5.41 N HETATM 183 HN1 NH2 A 14 -8.205 4.894 2.556 1.00 13.35 H HETATM 184 HN2 NH2 A 14 -6.867 4.353 1.602 1.00 15.01 H TER 185 NH2 A 14 ENDMDL MODEL 6 ATOM 1 N MET A 1 2.211 -0.037 -0.032 1.00 74.24 N ATOM 2 CA MET A 1 1.537 1.109 0.623 1.00 24.44 C ATOM 3 C MET A 1 1.558 2.323 -0.282 1.00 73.14 C ATOM 4 O MET A 1 2.060 2.197 -1.400 1.00 10.04 O ATOM 5 CB MET A 1 2.150 1.455 2.015 1.00 60.23 C ATOM 6 CG MET A 1 3.689 1.696 1.993 1.00 2.10 C ATOM 7 SD MET A 1 4.506 1.097 3.520 1.00 34.55 S ATOM 8 CE MET A 1 5.324 2.552 4.250 1.00 62.41 C ATOM 9 H1 MET A 1 2.830 0.303 -0.852 1.00 53.41 H ATOM 10 H2 MET A 1 2.886 -0.525 0.653 1.00 35.43 H ATOM 11 H3 MET A 1 1.490 -0.724 -0.374 1.00 41.15 H ATOM 12 HA MET A 1 0.479 0.835 0.782 1.00 72.11 H ATOM 13 HB2 MET A 1 1.654 2.365 2.390 1.00 52.42 H ATOM 14 HB3 MET A 1 1.908 0.644 2.719 1.00 52.12 H ATOM 15 HG2 MET A 1 4.160 1.299 1.082 1.00 1.44 H ATOM 16 HG3 MET A 1 3.880 2.781 2.009 1.00 42.43 H ATOM 17 HE1 MET A 1 4.588 3.147 4.809 1.00 45.24 H ATOM 18 HE2 MET A 1 6.151 2.262 4.915 1.00 4.21 H ATOM 19 HE3 MET A 1 5.728 3.172 3.435 1.00 34.43 H ATOM 20 N CYS A 2 1.039 3.467 0.152 1.00 22.43 N ATOM 21 CA CYS A 2 1.029 4.666 -0.676 1.00 44.12 C ATOM 22 C CYS A 2 1.852 5.779 -0.032 1.00 75.32 C ATOM 23 O CYS A 2 1.323 6.800 0.409 1.00 60.53 O ATOM 24 CB CYS A 2 -0.407 5.143 -0.902 1.00 45.42 C ATOM 25 SG CYS A 2 -1.593 3.801 -1.235 1.00 45.44 S ATOM 26 H CYS A 2 0.653 3.505 1.053 1.00 12.01 H ATOM 27 HA CYS A 2 1.470 4.415 -1.629 1.00 1.10 H ATOM 28 HB2 CYS A 2 -0.746 5.669 -0.021 1.00 43.24 H ATOM 29 HB3 CYS A 2 -0.425 5.817 -1.746 1.00 73.34 H ATOM 30 N PRO A 3 3.177 5.578 0.024 1.00 54.53 N ATOM 31 CA PRO A 3 4.100 6.554 0.611 1.00 64.52 C ATOM 32 C PRO A 3 4.228 7.815 -0.237 1.00 20.42 C ATOM 33 O PRO A 3 4.538 8.897 0.261 1.00 51.33 O ATOM 34 CB PRO A 3 5.432 5.800 0.652 1.00 2.12 C ATOM 35 CG PRO A 3 5.325 4.781 -0.429 1.00 52.12 C ATOM 36 CD PRO A 3 3.875 4.385 -0.482 1.00 41.04 C ATOM 37 HA PRO A 3 3.807 6.824 1.615 1.00 54.05 H ATOM 38 HB2 PRO A 3 6.244 6.489 0.468 1.00 44.23 H ATOM 39 HB3 PRO A 3 5.558 5.337 1.619 1.00 2.24 H ATOM 40 HG2 PRO A 3 5.631 5.211 -1.371 1.00 12.13 H ATOM 41 HG3 PRO A 3 5.938 3.925 -0.189 1.00 1.21 H ATOM 42 HD2 PRO A 3 3.580 4.167 -1.498 1.00 44.53 H ATOM 43 HD3 PRO A 3 3.693 3.533 0.156 1.00 61.00 H ATOM 44 N PRO A 4 3.983 7.674 -1.548 1.00 45.42 N ATOM 45 CA PRO A 4 4.064 8.793 -2.492 1.00 70.24 C ATOM 46 C PRO A 4 2.940 9.803 -2.291 1.00 41.51 C ATOM 47 O PRO A 4 3.080 10.979 -2.632 1.00 72.11 O ATOM 48 CB PRO A 4 3.934 8.114 -3.858 1.00 63.12 C ATOM 49 CG PRO A 4 3.189 6.853 -3.585 1.00 42.03 C ATOM 50 CD PRO A 4 3.609 6.413 -2.210 1.00 1.40 C ATOM 51 HA PRO A 4 5.017 9.298 -2.429 1.00 14.13 H ATOM 52 HB2 PRO A 4 3.388 8.758 -4.533 1.00 4.31 H ATOM 53 HB3 PRO A 4 4.916 7.913 -4.259 1.00 63.11 H ATOM 54 HG2 PRO A 4 2.127 7.041 -3.611 1.00 12.42 H ATOM 55 HG3 PRO A 4 3.457 6.104 -4.316 1.00 35.33 H ATOM 56 HD2 PRO A 4 2.785 5.939 -1.698 1.00 23.33 H ATOM 57 HD3 PRO A 4 4.455 5.744 -2.270 1.00 12.25 H ATOM 58 N LEU A 5 1.826 9.340 -1.735 1.00 63.32 N ATOM 59 CA LEU A 5 0.677 10.204 -1.488 1.00 24.13 C ATOM 60 C LEU A 5 -0.477 9.414 -0.880 1.00 74.13 C ATOM 61 O LEU A 5 -0.992 8.477 -1.491 1.00 70.24 O ATOM 62 CB LEU A 5 0.226 10.870 -2.788 1.00 50.44 C ATOM 63 CG LEU A 5 0.254 9.990 -4.038 1.00 53.24 C ATOM 64 CD1 LEU A 5 -1.134 9.891 -4.653 1.00 10.25 C ATOM 65 CD2 LEU A 5 1.250 10.534 -5.052 1.00 11.41 C ATOM 66 H LEU A 5 1.774 8.394 -1.485 1.00 2.01 H ATOM 67 HA LEU A 5 0.982 10.968 -0.788 1.00 63.11 H ATOM 68 HB2 LEU A 5 -0.787 11.215 -2.649 1.00 72.42 H ATOM 69 HB3 LEU A 5 0.872 11.719 -2.966 1.00 35.05 H ATOM 70 HG LEU A 5 0.568 8.993 -3.762 1.00 34.01 H ATOM 71 HD11 LEU A 5 -1.844 9.599 -3.893 1.00 44.42 H ATOM 72 HD12 LEU A 5 -1.127 9.154 -5.441 1.00 62.52 H ATOM 73 HD13 LEU A 5 -1.416 10.851 -5.060 1.00 73.24 H ATOM 74 HD21 LEU A 5 1.069 11.588 -5.205 1.00 31.14 H ATOM 75 HD22 LEU A 5 1.133 10.009 -5.988 1.00 41.24 H ATOM 76 HD23 LEU A 5 2.255 10.391 -4.682 1.00 32.22 H ATOM 77 N CYS A 6 -0.882 9.800 0.325 1.00 22.53 N ATOM 78 CA CYS A 6 -1.977 9.129 1.016 1.00 51.43 C ATOM 79 C CYS A 6 -3.325 9.559 0.443 1.00 2.23 C ATOM 80 O CYS A 6 -4.106 10.240 1.108 1.00 42.50 O ATOM 81 CB CYS A 6 -1.926 9.435 2.514 1.00 72.20 C ATOM 82 SG CYS A 6 -3.153 8.519 3.502 1.00 51.45 S ATOM 83 H CYS A 6 -0.432 10.554 0.762 1.00 31.12 H ATOM 84 HA CYS A 6 -1.861 8.066 0.870 1.00 45.43 H ATOM 85 HB2 CYS A 6 -0.946 9.181 2.892 1.00 53.50 H ATOM 86 HB3 CYS A 6 -2.103 10.490 2.665 1.00 63.52 H ATOM 87 N LYS A 7 -3.591 9.156 -0.794 1.00 73.04 N ATOM 88 CA LYS A 7 -4.844 9.497 -1.458 1.00 33.35 C ATOM 89 C LYS A 7 -5.955 8.533 -1.051 1.00 44.01 C ATOM 90 O LYS A 7 -5.705 7.431 -0.562 1.00 2.33 O ATOM 91 CB LYS A 7 -4.664 9.472 -2.977 1.00 51.21 C ATOM 92 CG LYS A 7 -4.555 10.854 -3.599 1.00 24.40 C ATOM 93 CD LYS A 7 -3.334 11.600 -3.088 1.00 10.25 C ATOM 94 CE LYS A 7 -3.728 12.846 -2.309 1.00 34.34 C ATOM 95 NZ LYS A 7 -2.696 13.914 -2.411 1.00 21.13 N ATOM 96 H LYS A 7 -2.929 8.615 -1.274 1.00 23.33 H ATOM 97 HA LYS A 7 -5.121 10.495 -1.152 1.00 65.44 H ATOM 98 HB2 LYS A 7 -3.765 8.922 -3.212 1.00 41.01 H ATOM 99 HB3 LYS A 7 -5.511 8.967 -3.420 1.00 2.33 H ATOM 100 HG2 LYS A 7 -4.477 10.751 -4.671 1.00 71.21 H ATOM 101 HG3 LYS A 7 -5.441 11.420 -3.353 1.00 14.41 H ATOM 102 HD2 LYS A 7 -2.769 10.948 -2.439 1.00 31.44 H ATOM 103 HD3 LYS A 7 -2.722 11.891 -3.930 1.00 11.44 H ATOM 104 HE2 LYS A 7 -4.661 13.220 -2.702 1.00 32.13 H ATOM 105 HE3 LYS A 7 -3.857 12.579 -1.270 1.00 22.21 H ATOM 106 HZ1 LYS A 7 -2.791 14.418 -3.315 1.00 15.41 H ATOM 107 HZ2 LYS A 7 -1.744 13.497 -2.357 1.00 74.12 H ATOM 108 HZ3 LYS A 7 -2.808 14.594 -1.633 1.00 3.45 H ATOM 109 N PRO A 8 -7.211 8.955 -1.259 1.00 22.32 N ATOM 110 CA PRO A 8 -8.384 8.143 -0.923 1.00 32.23 C ATOM 111 C PRO A 8 -8.534 6.934 -1.839 1.00 73.45 C ATOM 112 O PRO A 8 -8.226 7.003 -3.029 1.00 73.33 O ATOM 113 CB PRO A 8 -9.553 9.111 -1.119 1.00 35.11 C ATOM 114 CG PRO A 8 -9.056 10.112 -2.104 1.00 24.33 C ATOM 115 CD PRO A 8 -7.583 10.256 -1.838 1.00 45.44 C ATOM 116 HA PRO A 8 -8.357 7.812 0.105 1.00 3.44 H ATOM 117 HB2 PRO A 8 -10.410 8.572 -1.500 1.00 42.50 H ATOM 118 HB3 PRO A 8 -9.803 9.575 -0.177 1.00 12.13 H ATOM 119 HG2 PRO A 8 -9.222 9.753 -3.108 1.00 12.00 H ATOM 120 HG3 PRO A 8 -9.558 11.056 -1.953 1.00 24.12 H ATOM 121 HD2 PRO A 8 -7.049 10.435 -2.760 1.00 62.30 H ATOM 122 HD3 PRO A 8 -7.403 11.056 -1.135 1.00 44.21 H ATOM 123 N SER A 9 -9.010 5.826 -1.278 1.00 43.51 N ATOM 124 CA SER A 9 -9.198 4.601 -2.045 1.00 65.50 C ATOM 125 C SER A 9 -7.878 4.132 -2.652 1.00 34.35 C ATOM 126 O SER A 9 -7.833 3.681 -3.797 1.00 34.25 O ATOM 127 CB SER A 9 -10.231 4.819 -3.151 1.00 54.23 C ATOM 128 OG SER A 9 -10.491 3.615 -3.852 1.00 13.13 O ATOM 129 H SER A 9 -9.237 5.834 -0.325 1.00 12.14 H ATOM 130 HA SER A 9 -9.560 3.840 -1.370 1.00 75.31 H ATOM 131 HB2 SER A 9 -11.153 5.173 -2.715 1.00 4.54 H ATOM 132 HB3 SER A 9 -9.857 5.554 -3.849 1.00 55.52 H ATOM 133 HG SER A 9 -10.898 2.980 -3.257 1.00 51.35 H ATOM 134 N CYS A 10 -6.806 4.242 -1.875 1.00 65.53 N ATOM 135 CA CYS A 10 -5.484 3.830 -2.334 1.00 11.24 C ATOM 136 C CYS A 10 -5.184 2.395 -1.911 1.00 31.03 C ATOM 137 O CYS A 10 -4.086 1.886 -2.136 1.00 63.51 O ATOM 138 CB CYS A 10 -4.413 4.771 -1.779 1.00 11.42 C ATOM 139 SG CYS A 10 -2.810 4.663 -2.638 1.00 75.12 S ATOM 140 H CYS A 10 -6.905 4.609 -0.971 1.00 64.21 H ATOM 141 HA CYS A 10 -5.475 3.884 -3.412 1.00 1.15 H ATOM 142 HB2 CYS A 10 -4.762 5.790 -1.863 1.00 43.52 H ATOM 143 HB3 CYS A 10 -4.245 4.539 -0.738 1.00 1.13 H ATOM 144 N THR A 11 -6.169 1.747 -1.296 1.00 62.20 N ATOM 145 CA THR A 11 -6.011 0.371 -0.841 1.00 11.43 C ATOM 146 C THR A 11 -4.987 0.279 0.285 1.00 35.21 C ATOM 147 O THR A 11 -4.557 -0.812 0.657 1.00 45.24 O ATOM 148 CB THR A 11 -5.576 -0.555 -1.992 1.00 33.21 C ATOM 149 OG1 THR A 11 -6.278 -0.209 -3.191 1.00 33.20 O ATOM 150 CG2 THR A 11 -5.843 -2.012 -1.644 1.00 53.13 C ATOM 151 H THR A 11 -7.021 2.206 -1.145 1.00 40.42 H ATOM 152 HA THR A 11 -6.968 0.030 -0.473 1.00 60.23 H ATOM 153 HB THR A 11 -4.516 -0.428 -2.155 1.00 44.12 H ATOM 154 HG1 THR A 11 -5.861 0.554 -3.597 1.00 51.52 H ATOM 155 HG21 THR A 11 -4.906 -2.543 -1.576 1.00 2.31 H ATOM 156 HG22 THR A 11 -6.455 -2.459 -2.414 1.00 23.51 H ATOM 157 HG23 THR A 11 -6.359 -2.067 -0.697 1.00 24.30 H ATOM 158 N ASN A 12 -4.603 1.431 0.825 1.00 23.20 N ATOM 159 CA ASN A 12 -3.629 1.479 1.910 1.00 50.13 C ATOM 160 C ASN A 12 -3.676 2.827 2.623 1.00 23.10 C ATOM 161 O ASN A 12 -2.687 3.265 3.212 1.00 62.22 O ATOM 162 CB ASN A 12 -2.220 1.224 1.370 1.00 73.40 C ATOM 163 CG ASN A 12 -1.507 0.115 2.119 1.00 64.32 C ATOM 164 OD1 ASN A 12 -0.860 0.355 3.139 1.00 54.23 O ATOM 165 ND2 ASN A 12 -1.621 -1.108 1.614 1.00 24.31 N ATOM 166 H ASN A 12 -4.982 2.268 0.486 1.00 51.40 H ATOM 167 HA ASN A 12 -3.881 0.702 2.616 1.00 43.23 H ATOM 168 HB2 ASN A 12 -2.286 0.944 0.328 1.00 23.05 H ATOM 169 HB3 ASN A 12 -1.637 2.128 1.460 1.00 60.41 H ATOM 170 HD21 ASN A 12 -2.151 -1.225 0.798 1.00 33.33 H ATOM 171 HD22 ASN A 12 -1.170 -1.844 2.079 1.00 62.15 H ATOM 172 N CYS A 13 -4.831 3.480 2.567 1.00 55.23 N ATOM 173 CA CYS A 13 -5.009 4.778 3.207 1.00 61.12 C ATOM 174 C CYS A 13 -6.489 5.083 3.417 1.00 33.33 C ATOM 175 O CYS A 13 -7.201 5.474 2.506 1.00 61.31 O ATOM 176 CB CYS A 13 -4.365 5.879 2.362 1.00 54.13 C ATOM 177 SG CYS A 13 -2.853 6.587 3.090 1.00 60.13 S ATOM 178 H CYS A 13 -5.584 3.080 2.082 1.00 34.40 H ATOM 179 HA CYS A 13 -4.521 4.743 4.169 1.00 40.01 H ATOM 180 HB2 CYS A 13 -4.105 5.474 1.395 1.00 40.14 H ATOM 181 HB3 CYS A 13 -5.075 6.683 2.230 1.00 21.44 H HETATM 182 N NH2 A 14 -6.964 4.895 4.668 1.00 13.13 N HETATM 183 HN1 NH2 A 14 -7.930 5.080 4.863 1.00 1.13 H HETATM 184 HN2 NH2 A 14 -6.366 4.574 5.402 1.00 5.22 H TER 185 NH2 A 14 ENDMDL MODEL 7 ATOM 1 N MET A 1 1.320 -0.087 -0.210 1.00 23.22 N ATOM 2 CA MET A 1 1.625 1.140 0.564 1.00 70.34 C ATOM 3 C MET A 1 1.630 2.351 -0.346 1.00 63.15 C ATOM 4 O MET A 1 2.135 2.227 -1.463 1.00 1.51 O ATOM 5 CB MET A 1 2.968 1.041 1.350 1.00 53.51 C ATOM 6 CG MET A 1 3.100 2.063 2.519 1.00 33.21 C ATOM 7 SD MET A 1 3.427 1.240 4.124 1.00 62.13 S ATOM 8 CE MET A 1 4.131 2.525 5.206 1.00 1.24 C ATOM 9 H1 MET A 1 1.867 -0.094 -1.144 1.00 23.03 H ATOM 10 H2 MET A 1 1.651 -0.965 0.323 1.00 65.01 H ATOM 11 H3 MET A 1 0.285 -0.147 -0.388 1.00 12.31 H ATOM 12 HA MET A 1 0.815 1.286 1.301 1.00 52.25 H ATOM 13 HB2 MET A 1 3.050 0.021 1.760 1.00 61.02 H ATOM 14 HB3 MET A 1 3.801 1.172 0.643 1.00 63.40 H ATOM 15 HG2 MET A 1 3.827 2.857 2.299 1.00 65.55 H ATOM 16 HG3 MET A 1 2.125 2.553 2.676 1.00 41.00 H ATOM 17 HE1 MET A 1 3.658 2.472 6.197 1.00 11.41 H ATOM 18 HE2 MET A 1 5.221 2.419 5.308 1.00 23.02 H ATOM 19 HE3 MET A 1 3.912 3.511 4.768 1.00 24.52 H ATOM 20 N CYS A 2 1.097 3.489 0.084 1.00 54.24 N ATOM 21 CA CYS A 2 1.072 4.686 -0.749 1.00 71.52 C ATOM 22 C CYS A 2 1.876 5.812 -0.107 1.00 1.22 C ATOM 23 O CYS A 2 1.332 6.828 0.326 1.00 51.30 O ATOM 24 CB CYS A 2 -0.370 5.141 -0.981 1.00 50.41 C ATOM 25 SG CYS A 2 -1.532 3.783 -1.330 1.00 73.31 S ATOM 26 H CYS A 2 0.709 3.526 0.984 1.00 70.11 H ATOM 27 HA CYS A 2 1.519 4.438 -1.700 1.00 21.42 H ATOM 28 HB2 CYS A 2 -0.723 5.656 -0.099 1.00 61.01 H ATOM 29 HB3 CYS A 2 -0.394 5.820 -1.821 1.00 75.41 H ATOM 30 N PRO A 3 3.203 5.630 -0.043 1.00 24.31 N ATOM 31 CA PRO A 3 4.111 6.620 0.544 1.00 62.22 C ATOM 32 C PRO A 3 4.227 7.878 -0.310 1.00 13.02 C ATOM 33 O PRO A 3 4.519 8.967 0.184 1.00 41.42 O ATOM 34 CB PRO A 3 5.453 5.884 0.596 1.00 15.11 C ATOM 35 CG PRO A 3 5.364 4.858 -0.481 1.00 1.25 C ATOM 36 CD PRO A 3 3.920 4.443 -0.539 1.00 61.11 C ATOM 37 HA PRO A 3 3.809 6.892 1.545 1.00 74.45 H ATOM 38 HB2 PRO A 3 6.257 6.583 0.412 1.00 34.22 H ATOM 39 HB3 PRO A 3 5.579 5.428 1.566 1.00 25.13 H ATOM 40 HG2 PRO A 3 5.669 5.287 -1.423 1.00 5.34 H ATOM 41 HG3 PRO A 3 5.987 4.012 -0.233 1.00 23.35 H ATOM 42 HD2 PRO A 3 3.634 4.216 -1.555 1.00 55.24 H ATOM 43 HD3 PRO A 3 3.746 3.592 0.103 1.00 71.23 H ATOM 44 N PRO A 4 3.992 7.728 -1.622 1.00 32.42 N ATOM 45 CA PRO A 4 4.063 8.842 -2.571 1.00 53.15 C ATOM 46 C PRO A 4 2.924 9.838 -2.382 1.00 41.51 C ATOM 47 O PRO A 4 3.046 11.011 -2.738 1.00 3.52 O ATOM 48 CB PRO A 4 3.950 8.154 -3.934 1.00 43.34 C ATOM 49 CG PRO A 4 3.221 6.885 -3.659 1.00 73.11 C ATOM 50 CD PRO A 4 3.638 6.458 -2.279 1.00 3.20 C ATOM 51 HA PRO A 4 5.008 9.360 -2.505 1.00 1.51 H ATOM 52 HB2 PRO A 4 3.400 8.788 -4.616 1.00 33.34 H ATOM 53 HB3 PRO A 4 4.937 7.965 -4.328 1.00 63.45 H ATOM 54 HG2 PRO A 4 2.156 7.059 -3.692 1.00 30.23 H ATOM 55 HG3 PRO A 4 3.502 6.135 -4.384 1.00 4.51 H ATOM 56 HD2 PRO A 4 2.818 5.975 -1.769 1.00 1.21 H ATOM 57 HD3 PRO A 4 4.493 5.800 -2.330 1.00 43.21 H ATOM 58 N LEU A 5 1.818 9.365 -1.820 1.00 14.33 N ATOM 59 CA LEU A 5 0.656 10.215 -1.582 1.00 42.52 C ATOM 60 C LEU A 5 -0.488 9.416 -0.967 1.00 64.40 C ATOM 61 O LEU A 5 -1.004 8.480 -1.578 1.00 72.24 O ATOM 62 CB LEU A 5 0.196 10.861 -2.890 1.00 42.33 C ATOM 63 CG LEU A 5 0.211 9.960 -4.125 1.00 74.23 C ATOM 64 CD1 LEU A 5 -1.190 9.820 -4.700 1.00 74.51 C ATOM 65 CD2 LEU A 5 1.167 10.508 -5.174 1.00 61.44 C ATOM 66 H LEU A 5 1.780 8.422 -1.558 1.00 14.24 H ATOM 67 HA LEU A 5 0.950 10.991 -0.891 1.00 15.32 H ATOM 68 HB2 LEU A 5 -0.815 11.211 -2.749 1.00 4.44 H ATOM 69 HB3 LEU A 5 0.843 11.704 -3.087 1.00 41.53 H ATOM 70 HG LEU A 5 0.554 8.975 -3.840 1.00 71.22 H ATOM 71 HD11 LEU A 5 -1.461 10.729 -5.215 1.00 62.21 H ATOM 72 HD12 LEU A 5 -1.891 9.637 -3.899 1.00 55.21 H ATOM 73 HD13 LEU A 5 -1.214 8.992 -5.394 1.00 24.44 H ATOM 74 HD21 LEU A 5 1.877 11.171 -4.703 1.00 72.10 H ATOM 75 HD22 LEU A 5 0.608 11.051 -5.922 1.00 71.51 H ATOM 76 HD23 LEU A 5 1.694 9.689 -5.643 1.00 42.12 H ATOM 77 N CYS A 6 -0.880 9.791 0.246 1.00 53.34 N ATOM 78 CA CYS A 6 -1.964 9.111 0.944 1.00 72.11 C ATOM 79 C CYS A 6 -3.321 9.539 0.391 1.00 64.21 C ATOM 80 O CYS A 6 -4.116 10.171 1.086 1.00 32.55 O ATOM 81 CB CYS A 6 -1.897 9.405 2.444 1.00 43.33 C ATOM 82 SG CYS A 6 -2.587 8.085 3.492 1.00 13.43 S ATOM 83 H CYS A 6 -0.430 10.545 0.682 1.00 4.13 H ATOM 84 HA CYS A 6 -1.845 8.050 0.789 1.00 63.45 H ATOM 85 HB2 CYS A 6 -0.864 9.544 2.729 1.00 11.23 H ATOM 86 HB3 CYS A 6 -2.447 10.312 2.650 1.00 23.50 H ATOM 87 N LYS A 7 -3.578 9.190 -0.865 1.00 41.01 N ATOM 88 CA LYS A 7 -4.838 9.535 -1.513 1.00 3.41 C ATOM 89 C LYS A 7 -5.927 8.530 -1.155 1.00 32.31 C ATOM 90 O LYS A 7 -5.654 7.411 -0.718 1.00 51.44 O ATOM 91 CB LYS A 7 -4.656 9.588 -3.032 1.00 14.04 C ATOM 92 CG LYS A 7 -4.623 11.000 -3.592 1.00 23.54 C ATOM 93 CD LYS A 7 -3.330 11.712 -3.231 1.00 62.31 C ATOM 94 CE LYS A 7 -3.598 13.085 -2.634 1.00 65.13 C ATOM 95 NZ LYS A 7 -3.585 13.055 -1.146 1.00 33.35 N ATOM 96 H LYS A 7 -2.904 8.687 -1.369 1.00 23.31 H ATOM 97 HA LYS A 7 -5.135 10.511 -1.160 1.00 54.34 H ATOM 98 HB2 LYS A 7 -3.728 9.099 -3.288 1.00 74.24 H ATOM 99 HB3 LYS A 7 -5.474 9.058 -3.498 1.00 71.42 H ATOM 100 HG2 LYS A 7 -4.707 10.953 -4.667 1.00 73.41 H ATOM 101 HG3 LYS A 7 -5.455 11.557 -3.187 1.00 53.40 H ATOM 102 HD2 LYS A 7 -2.790 11.117 -2.509 1.00 13.11 H ATOM 103 HD3 LYS A 7 -2.732 11.827 -4.124 1.00 5.10 H ATOM 104 HE2 LYS A 7 -2.835 13.767 -2.978 1.00 55.32 H ATOM 105 HE3 LYS A 7 -4.565 13.427 -2.971 1.00 72.42 H ATOM 106 HZ1 LYS A 7 -3.671 12.075 -0.807 1.00 42.21 H ATOM 107 HZ2 LYS A 7 -4.380 13.611 -0.771 1.00 34.33 H ATOM 108 HZ3 LYS A 7 -2.696 13.458 -0.787 1.00 71.33 H ATOM 109 N PRO A 8 -7.192 8.934 -1.344 1.00 71.35 N ATOM 110 CA PRO A 8 -8.348 8.082 -1.050 1.00 21.44 C ATOM 111 C PRO A 8 -8.471 6.915 -2.023 1.00 72.35 C ATOM 112 O PRO A 8 -8.119 7.033 -3.197 1.00 1.31 O ATOM 113 CB PRO A 8 -9.538 9.033 -1.201 1.00 63.43 C ATOM 114 CG PRO A 8 -9.061 10.090 -2.136 1.00 62.13 C ATOM 115 CD PRO A 8 -7.591 10.253 -1.862 1.00 14.43 C ATOM 116 HA PRO A 8 -8.314 7.703 -0.038 1.00 50.15 H ATOM 117 HB2 PRO A 8 -10.382 8.495 -1.609 1.00 61.33 H ATOM 118 HB3 PRO A 8 -9.798 9.446 -0.238 1.00 70.34 H ATOM 119 HG2 PRO A 8 -9.219 9.776 -3.157 1.00 1.22 H ATOM 120 HG3 PRO A 8 -9.583 11.015 -1.941 1.00 72.32 H ATOM 121 HD2 PRO A 8 -7.061 10.487 -2.773 1.00 1.11 H ATOM 122 HD3 PRO A 8 -7.429 11.022 -1.121 1.00 13.33 H ATOM 123 N SER A 9 -8.974 5.788 -1.529 1.00 62.21 N ATOM 124 CA SER A 9 -9.140 4.598 -2.355 1.00 74.04 C ATOM 125 C SER A 9 -7.802 4.143 -2.928 1.00 63.34 C ATOM 126 O SER A 9 -7.717 3.728 -4.085 1.00 22.34 O ATOM 127 CB SER A 9 -10.127 4.874 -3.492 1.00 1.34 C ATOM 128 OG SER A 9 -11.094 5.835 -3.105 1.00 0.20 O ATOM 129 H SER A 9 -9.236 5.756 -0.585 1.00 73.42 H ATOM 130 HA SER A 9 -9.537 3.812 -1.729 1.00 45.43 H ATOM 131 HB2 SER A 9 -9.589 5.248 -4.349 1.00 44.23 H ATOM 132 HB3 SER A 9 -10.633 3.957 -3.756 1.00 13.21 H ATOM 133 HG SER A 9 -11.778 5.409 -2.583 1.00 1.30 H ATOM 134 N CYS A 10 -6.757 4.223 -2.111 1.00 13.51 N ATOM 135 CA CYS A 10 -5.421 3.821 -2.534 1.00 14.00 C ATOM 136 C CYS A 10 -5.113 2.397 -2.080 1.00 0.21 C ATOM 137 O CYS A 10 -4.006 1.895 -2.280 1.00 12.24 O ATOM 138 CB CYS A 10 -4.374 4.785 -1.973 1.00 51.14 C ATOM 139 SG CYS A 10 -2.751 4.679 -2.794 1.00 53.53 S ATOM 140 H CYS A 10 -6.888 4.563 -1.200 1.00 22.32 H ATOM 141 HA CYS A 10 -5.390 3.856 -3.612 1.00 40.43 H ATOM 142 HB2 CYS A 10 -4.732 5.798 -2.085 1.00 14.21 H ATOM 143 HB3 CYS A 10 -4.227 4.574 -0.924 1.00 42.45 H ATOM 144 N THR A 11 -6.100 1.750 -1.467 1.00 42.34 N ATOM 145 CA THR A 11 -5.935 0.385 -0.984 1.00 3.41 C ATOM 146 C THR A 11 -4.928 0.325 0.160 1.00 54.05 C ATOM 147 O THR A 11 -4.502 -0.754 0.567 1.00 64.53 O ATOM 148 CB THR A 11 -5.472 -0.557 -2.111 1.00 24.55 C ATOM 149 OG1 THR A 11 -6.160 -0.244 -3.326 1.00 53.41 O ATOM 150 CG2 THR A 11 -5.725 -2.011 -1.739 1.00 14.44 C ATOM 151 H THR A 11 -6.959 2.204 -1.338 1.00 22.34 H ATOM 152 HA THR A 11 -6.894 0.040 -0.625 1.00 43.25 H ATOM 153 HB THR A 11 -4.410 -0.420 -2.261 1.00 13.20 H ATOM 154 HG1 THR A 11 -7.012 0.149 -3.119 1.00 71.24 H ATOM 155 HG21 THR A 11 -6.319 -2.480 -2.508 1.00 74.00 H ATOM 156 HG22 THR A 11 -6.255 -2.054 -0.798 1.00 61.44 H ATOM 157 HG23 THR A 11 -4.782 -2.528 -1.645 1.00 73.25 H ATOM 158 N ASN A 12 -4.554 1.492 0.674 1.00 22.22 N ATOM 159 CA ASN A 12 -3.597 1.571 1.772 1.00 41.01 C ATOM 160 C ASN A 12 -3.323 3.023 2.151 1.00 0.20 C ATOM 161 O ASN A 12 -2.376 3.637 1.658 1.00 20.03 O ATOM 162 CB ASN A 12 -2.289 0.877 1.387 1.00 42.22 C ATOM 163 CG ASN A 12 -2.075 -0.417 2.148 1.00 60.02 C ATOM 164 OD1 ASN A 12 -3.019 -0.997 2.685 1.00 65.52 O ATOM 165 ND2 ASN A 12 -0.830 -0.875 2.197 1.00 24.33 N ATOM 166 H ASN A 12 -4.929 2.319 0.307 1.00 12.20 H ATOM 167 HA ASN A 12 -4.026 1.064 2.623 1.00 71.22 H ATOM 168 HB2 ASN A 12 -2.305 0.652 0.330 1.00 12.33 H ATOM 169 HB3 ASN A 12 -1.462 1.538 1.597 1.00 3.42 H ATOM 170 HD21 ASN A 12 -0.128 -0.360 1.746 1.00 31.14 H ATOM 171 HD22 ASN A 12 -0.663 -1.710 2.682 1.00 31.41 H ATOM 172 N CYS A 13 -4.158 3.567 3.030 1.00 2.02 N ATOM 173 CA CYS A 13 -4.007 4.947 3.477 1.00 60.43 C ATOM 174 C CYS A 13 -4.742 5.175 4.794 1.00 2.44 C ATOM 175 O CYS A 13 -4.216 5.755 5.731 1.00 12.21 O ATOM 176 CB CYS A 13 -4.535 5.910 2.412 1.00 61.13 C ATOM 177 SG CYS A 13 -4.437 7.667 2.884 1.00 61.40 S ATOM 178 H CYS A 13 -4.895 3.027 3.388 1.00 45.01 H ATOM 179 HA CYS A 13 -2.955 5.133 3.629 1.00 42.25 H ATOM 180 HB2 CYS A 13 -3.961 5.782 1.505 1.00 31.23 H ATOM 181 HB3 CYS A 13 -5.571 5.680 2.211 1.00 1.12 H HETATM 182 N NH2 A 14 -6.005 4.699 4.863 1.00 44.41 N HETATM 183 HN1 NH2 A 14 -6.534 4.822 5.705 1.00 21.12 H HETATM 184 HN2 NH2 A 14 -6.418 4.227 4.085 1.00 72.13 H TER 185 NH2 A 14 ENDMDL MODEL 8 ATOM 1 N MET A 1 1.210 -0.064 -0.082 1.00 13.02 N ATOM 2 CA MET A 1 1.549 1.151 0.696 1.00 50.12 C ATOM 3 C MET A 1 1.559 2.370 -0.204 1.00 74.44 C ATOM 4 O MET A 1 2.064 2.254 -1.321 1.00 61.13 O ATOM 5 CB MET A 1 2.904 1.024 1.457 1.00 73.30 C ATOM 6 CG MET A 1 2.992 1.884 2.753 1.00 33.22 C ATOM 7 SD MET A 1 4.425 1.418 3.797 1.00 54.50 S ATOM 8 CE MET A 1 5.887 2.136 2.981 1.00 62.42 C ATOM 9 H1 MET A 1 0.991 -0.891 0.581 1.00 73.11 H ATOM 10 H2 MET A 1 0.309 0.090 -0.655 1.00 40.44 H ATOM 11 H3 MET A 1 2.006 -0.307 -0.726 1.00 30.45 H ATOM 12 HA MET A 1 0.755 1.305 1.448 1.00 12.14 H ATOM 13 HB2 MET A 1 3.047 -0.036 1.725 1.00 61.53 H ATOM 14 HB3 MET A 1 3.721 1.295 0.771 1.00 31.13 H ATOM 15 HG2 MET A 1 2.960 2.962 2.541 1.00 61.25 H ATOM 16 HG3 MET A 1 2.123 1.655 3.392 1.00 4.33 H ATOM 17 HE1 MET A 1 6.006 1.693 1.982 1.00 50.03 H ATOM 18 HE2 MET A 1 5.810 3.230 2.897 1.00 64.24 H ATOM 19 HE3 MET A 1 6.778 1.890 3.579 1.00 74.24 H ATOM 20 N CYS A 2 1.028 3.506 0.234 1.00 33.04 N ATOM 21 CA CYS A 2 1.007 4.709 -0.589 1.00 3.13 C ATOM 22 C CYS A 2 1.813 5.829 0.064 1.00 21.51 C ATOM 23 O CYS A 2 1.271 6.842 0.505 1.00 53.12 O ATOM 24 CB CYS A 2 -0.433 5.170 -0.819 1.00 52.21 C ATOM 25 SG CYS A 2 -1.599 3.817 -1.177 1.00 61.11 S ATOM 26 H CYS A 2 0.639 3.536 1.135 1.00 44.43 H ATOM 27 HA CYS A 2 1.455 4.468 -1.541 1.00 23.25 H ATOM 28 HB2 CYS A 2 -0.785 5.681 0.066 1.00 74.44 H ATOM 29 HB3 CYS A 2 -0.455 5.853 -1.655 1.00 50.51 H ATOM 30 N PRO A 3 3.140 5.643 0.128 1.00 31.51 N ATOM 31 CA PRO A 3 4.049 6.626 0.724 1.00 22.32 C ATOM 32 C PRO A 3 4.169 7.891 -0.119 1.00 35.23 C ATOM 33 O PRO A 3 4.464 8.975 0.384 1.00 14.12 O ATOM 34 CB PRO A 3 5.389 5.887 0.772 1.00 72.41 C ATOM 35 CG PRO A 3 5.299 4.870 -0.313 1.00 45.04 C ATOM 36 CD PRO A 3 3.855 4.458 -0.377 1.00 54.32 C ATOM 37 HA PRO A 3 3.746 6.890 1.727 1.00 71.22 H ATOM 38 HB2 PRO A 3 6.195 6.585 0.595 1.00 54.11 H ATOM 39 HB3 PRO A 3 5.514 5.422 1.738 1.00 14.04 H ATOM 40 HG2 PRO A 3 5.607 5.306 -1.251 1.00 51.35 H ATOM 41 HG3 PRO A 3 5.921 4.020 -0.072 1.00 15.13 H ATOM 42 HD2 PRO A 3 3.569 4.241 -1.396 1.00 32.24 H ATOM 43 HD3 PRO A 3 3.678 3.602 0.257 1.00 13.43 H ATOM 44 N PRO A 4 3.934 7.752 -1.432 1.00 13.20 N ATOM 45 CA PRO A 4 4.008 8.874 -2.372 1.00 41.42 C ATOM 46 C PRO A 4 2.872 9.872 -2.175 1.00 2.32 C ATOM 47 O PRO A 4 2.999 11.049 -2.516 1.00 64.01 O ATOM 48 CB PRO A 4 3.894 8.198 -3.741 1.00 3.51 C ATOM 49 CG PRO A 4 3.161 6.929 -3.477 1.00 21.14 C ATOM 50 CD PRO A 4 3.577 6.489 -2.100 1.00 40.30 C ATOM 51 HA PRO A 4 4.955 9.390 -2.301 1.00 32.41 H ATOM 52 HB2 PRO A 4 3.346 8.839 -4.417 1.00 13.20 H ATOM 53 HB3 PRO A 4 4.881 8.009 -4.136 1.00 51.42 H ATOM 54 HG2 PRO A 4 2.097 7.106 -3.508 1.00 71.12 H ATOM 55 HG3 PRO A 4 3.441 6.185 -4.208 1.00 20.23 H ATOM 56 HD2 PRO A 4 2.755 6.004 -1.594 1.00 43.24 H ATOM 57 HD3 PRO A 4 4.430 5.829 -2.156 1.00 42.44 H ATOM 58 N LEU A 5 1.762 9.396 -1.622 1.00 2.12 N ATOM 59 CA LEU A 5 0.603 10.247 -1.378 1.00 52.41 C ATOM 60 C LEU A 5 -0.546 9.444 -0.776 1.00 43.12 C ATOM 61 O LEU A 5 -1.059 8.513 -1.398 1.00 13.42 O ATOM 62 CB LEU A 5 0.149 10.910 -2.680 1.00 43.11 C ATOM 63 CG LEU A 5 0.166 10.024 -3.926 1.00 22.42 C ATOM 64 CD1 LEU A 5 -1.233 9.894 -4.507 1.00 61.44 C ATOM 65 CD2 LEU A 5 1.128 10.582 -4.965 1.00 31.13 C ATOM 66 H LEU A 5 1.720 8.450 -1.371 1.00 1.10 H ATOM 67 HA LEU A 5 0.896 11.014 -0.677 1.00 4.04 H ATOM 68 HB2 LEU A 5 -0.861 11.261 -2.538 1.00 32.11 H ATOM 69 HB3 LEU A 5 0.799 11.754 -2.864 1.00 50.03 H ATOM 70 HG LEU A 5 0.506 9.034 -3.651 1.00 43.44 H ATOM 71 HD11 LEU A 5 -1.395 10.676 -5.234 1.00 21.54 H ATOM 72 HD12 LEU A 5 -1.962 9.981 -3.715 1.00 44.32 H ATOM 73 HD13 LEU A 5 -1.336 8.930 -4.985 1.00 42.34 H ATOM 74 HD21 LEU A 5 1.655 9.769 -5.441 1.00 31.20 H ATOM 75 HD22 LEU A 5 1.837 11.238 -4.482 1.00 24.30 H ATOM 76 HD23 LEU A 5 0.573 11.137 -5.708 1.00 31.45 H ATOM 77 N CYS A 6 -0.946 9.811 0.437 1.00 43.14 N ATOM 78 CA CYS A 6 -2.035 9.127 1.123 1.00 62.31 C ATOM 79 C CYS A 6 -3.387 9.559 0.563 1.00 31.41 C ATOM 80 O CYS A 6 -4.162 10.238 1.237 1.00 74.34 O ATOM 81 CB CYS A 6 -1.978 9.412 2.625 1.00 22.51 C ATOM 82 SG CYS A 6 -3.185 8.465 3.608 1.00 61.04 S ATOM 83 H CYS A 6 -0.497 10.561 0.882 1.00 50.21 H ATOM 84 HA CYS A 6 -1.914 8.066 0.962 1.00 54.34 H ATOM 85 HB2 CYS A 6 -0.992 9.167 2.993 1.00 61.42 H ATOM 86 HB3 CYS A 6 -2.168 10.461 2.792 1.00 0.41 H ATOM 87 N LYS A 7 -3.664 9.160 -0.674 1.00 22.33 N ATOM 88 CA LYS A 7 -4.922 9.503 -1.325 1.00 72.23 C ATOM 89 C LYS A 7 -6.015 8.503 -0.960 1.00 24.12 C ATOM 90 O LYS A 7 -5.745 7.386 -0.517 1.00 4.43 O ATOM 91 CB LYS A 7 -4.740 9.542 -2.844 1.00 44.22 C ATOM 92 CG LYS A 7 -4.645 10.949 -3.409 1.00 72.12 C ATOM 93 CD LYS A 7 -3.575 11.763 -2.702 1.00 11.32 C ATOM 94 CE LYS A 7 -2.898 12.739 -3.652 1.00 62.21 C ATOM 95 NZ LYS A 7 -1.829 13.523 -2.973 1.00 71.13 N ATOM 96 H LYS A 7 -3.005 8.620 -1.160 1.00 73.12 H ATOM 97 HA LYS A 7 -5.218 10.482 -0.981 1.00 43.42 H ATOM 98 HB2 LYS A 7 -3.834 9.012 -3.100 1.00 2.43 H ATOM 99 HB3 LYS A 7 -5.580 9.046 -3.309 1.00 2.14 H ATOM 100 HG2 LYS A 7 -4.402 10.890 -4.460 1.00 25.24 H ATOM 101 HG3 LYS A 7 -5.600 11.441 -3.286 1.00 45.23 H ATOM 102 HD2 LYS A 7 -4.032 12.321 -1.897 1.00 63.44 H ATOM 103 HD3 LYS A 7 -2.831 11.091 -2.299 1.00 63.11 H ATOM 104 HE2 LYS A 7 -2.461 12.183 -4.467 1.00 74.44 H ATOM 105 HE3 LYS A 7 -3.642 13.420 -4.038 1.00 61.45 H ATOM 106 HZ1 LYS A 7 -0.915 13.363 -3.443 1.00 32.01 H ATOM 107 HZ2 LYS A 7 -1.751 13.232 -1.978 1.00 10.44 H ATOM 108 HZ3 LYS A 7 -2.053 14.538 -3.010 1.00 23.23 H ATOM 109 N PRO A 8 -7.278 8.910 -1.150 1.00 74.12 N ATOM 110 CA PRO A 8 -8.437 8.063 -0.849 1.00 4.44 C ATOM 111 C PRO A 8 -8.565 6.891 -1.815 1.00 60.11 C ATOM 112 O PRO A 8 -8.249 7.012 -2.999 1.00 12.44 O ATOM 113 CB PRO A 8 -9.623 9.017 -1.005 1.00 14.44 C ATOM 114 CG PRO A 8 -9.144 10.067 -1.947 1.00 12.33 C ATOM 115 CD PRO A 8 -7.674 10.228 -1.675 1.00 70.30 C ATOM 116 HA PRO A 8 -8.403 7.691 0.165 1.00 44.02 H ATOM 117 HB2 PRO A 8 -10.470 8.480 -1.408 1.00 60.22 H ATOM 118 HB3 PRO A 8 -9.881 9.437 -0.044 1.00 12.20 H ATOM 119 HG2 PRO A 8 -9.305 9.748 -2.965 1.00 62.11 H ATOM 120 HG3 PRO A 8 -9.663 10.995 -1.757 1.00 14.14 H ATOM 121 HD2 PRO A 8 -7.144 10.454 -2.588 1.00 60.03 H ATOM 122 HD3 PRO A 8 -7.508 11.001 -0.939 1.00 34.40 H ATOM 123 N SER A 9 -9.031 5.756 -1.303 1.00 43.21 N ATOM 124 CA SER A 9 -9.198 4.560 -2.121 1.00 3.43 C ATOM 125 C SER A 9 -7.865 4.122 -2.720 1.00 71.14 C ATOM 126 O SER A 9 -7.800 3.699 -3.875 1.00 64.10 O ATOM 127 CB SER A 9 -10.212 4.818 -3.237 1.00 31.43 C ATOM 128 OG SER A 9 -10.809 3.608 -3.672 1.00 11.31 O ATOM 129 H SER A 9 -9.265 5.722 -0.352 1.00 12.12 H ATOM 130 HA SER A 9 -9.569 3.772 -1.483 1.00 40.01 H ATOM 131 HB2 SER A 9 -10.986 5.476 -2.872 1.00 22.22 H ATOM 132 HB3 SER A 9 -9.711 5.280 -4.075 1.00 13.21 H ATOM 133 HG SER A 9 -11.738 3.604 -3.430 1.00 11.40 H ATOM 134 N CYS A 10 -6.804 4.226 -1.928 1.00 1.15 N ATOM 135 CA CYS A 10 -5.472 3.842 -2.378 1.00 23.43 C ATOM 136 C CYS A 10 -5.151 2.408 -1.966 1.00 31.32 C ATOM 137 O CYS A 10 -4.048 1.913 -2.201 1.00 50.43 O ATOM 138 CB CYS A 10 -4.422 4.795 -1.804 1.00 42.42 C ATOM 139 SG CYS A 10 -2.807 4.716 -2.644 1.00 53.04 S ATOM 140 H CYS A 10 -6.919 4.571 -1.016 1.00 74.34 H ATOM 141 HA CYS A 10 -5.454 3.906 -3.455 1.00 2.11 H ATOM 142 HB2 CYS A 10 -4.785 5.810 -1.887 1.00 23.41 H ATOM 143 HB3 CYS A 10 -4.263 4.559 -0.762 1.00 41.45 H ATOM 144 N THR A 11 -6.124 1.743 -1.349 1.00 3.40 N ATOM 145 CA THR A 11 -5.946 0.367 -0.903 1.00 50.33 C ATOM 146 C THR A 11 -4.912 0.280 0.213 1.00 2.12 C ATOM 147 O THR A 11 -4.464 -0.808 0.574 1.00 51.44 O ATOM 148 CB THR A 11 -5.510 -0.547 -2.064 1.00 33.22 C ATOM 149 OG1 THR A 11 -6.227 -0.203 -3.255 1.00 11.34 O ATOM 150 CG2 THR A 11 -5.757 -2.009 -1.723 1.00 24.15 C ATOM 151 H THR A 11 -6.981 2.191 -1.190 1.00 4.51 H ATOM 152 HA THR A 11 -6.896 0.012 -0.530 1.00 3.31 H ATOM 153 HB THR A 11 -4.453 -0.406 -2.236 1.00 22.14 H ATOM 154 HG1 THR A 11 -7.161 -0.114 -3.051 1.00 54.15 H ATOM 155 HG21 THR A 11 -4.810 -2.519 -1.621 1.00 54.21 H ATOM 156 HG22 THR A 11 -6.331 -2.471 -2.512 1.00 33.24 H ATOM 157 HG23 THR A 11 -6.303 -2.075 -0.793 1.00 44.42 H ATOM 158 N ASN A 12 -4.537 1.433 0.758 1.00 41.25 N ATOM 159 CA ASN A 12 -3.555 1.486 1.834 1.00 4.43 C ATOM 160 C ASN A 12 -3.644 2.810 2.587 1.00 13.24 C ATOM 161 O ASN A 12 -2.672 3.257 3.198 1.00 55.15 O ATOM 162 CB ASN A 12 -2.143 1.300 1.275 1.00 61.25 C ATOM 163 CG ASN A 12 -1.426 0.117 1.897 1.00 41.23 C ATOM 164 OD1 ASN A 12 -1.219 -0.909 1.248 1.00 11.34 O ATOM 165 ND2 ASN A 12 -1.043 0.256 3.161 1.00 72.12 N ATOM 166 H ASN A 12 -4.930 2.268 0.427 1.00 4.24 H ATOM 167 HA ASN A 12 -3.770 0.680 2.519 1.00 10.44 H ATOM 168 HB2 ASN A 12 -2.204 1.139 0.208 1.00 64.50 H ATOM 169 HB3 ASN A 12 -1.565 2.191 1.467 1.00 25.34 H ATOM 170 HD21 ASN A 12 -1.242 1.101 3.615 1.00 41.51 H ATOM 171 HD22 ASN A 12 -0.577 -0.493 3.588 1.00 41.05 H ATOM 172 N CYS A 13 -4.817 3.433 2.541 1.00 72.13 N ATOM 173 CA CYS A 13 -5.036 4.705 3.218 1.00 44.30 C ATOM 174 C CYS A 13 -6.525 4.963 3.425 1.00 74.30 C ATOM 175 O CYS A 13 -6.969 6.091 3.565 1.00 12.12 O ATOM 176 CB CYS A 13 -4.416 5.849 2.412 1.00 74.21 C ATOM 177 SG CYS A 13 -2.901 6.542 3.148 1.00 11.11 S ATOM 178 H CYS A 13 -5.555 3.027 2.038 1.00 61.42 H ATOM 179 HA CYS A 13 -4.554 4.655 4.183 1.00 72.33 H ATOM 180 HB2 CYS A 13 -4.166 5.489 1.425 1.00 61.53 H ATOM 181 HB3 CYS A 13 -5.136 6.649 2.325 1.00 14.03 H HETATM 182 N NH2 A 14 -7.322 3.871 3.444 1.00 3.20 N HETATM 183 HN1 NH2 A 14 -8.309 3.982 3.577 1.00 71.02 H HETATM 184 HN2 NH2 A 14 -6.939 2.955 3.327 1.00 34.54 H TER 185 NH2 A 14 ENDMDL MODEL 9 ATOM 1 N MET A 1 1.170 -0.061 -0.290 1.00 61.32 N ATOM 2 CA MET A 1 1.574 1.127 0.498 1.00 32.44 C ATOM 3 C MET A 1 1.575 2.365 -0.374 1.00 44.12 C ATOM 4 O MET A 1 2.057 2.271 -1.504 1.00 30.34 O ATOM 5 CB MET A 1 2.957 0.948 1.196 1.00 13.40 C ATOM 6 CG MET A 1 3.100 1.725 2.539 1.00 13.21 C ATOM 7 SD MET A 1 3.537 0.621 3.935 1.00 61.33 S ATOM 8 CE MET A 1 5.108 1.260 4.600 1.00 22.41 C ATOM 9 H1 MET A 1 0.092 -0.132 -0.348 1.00 14.54 H ATOM 10 H2 MET A 1 1.507 0.027 -1.312 1.00 15.55 H ATOM 11 H3 MET A 1 1.574 -0.930 0.145 1.00 60.43 H ATOM 12 HA MET A 1 0.817 1.283 1.288 1.00 23.55 H ATOM 13 HB2 MET A 1 3.105 -0.127 1.391 1.00 2.21 H ATOM 14 HB3 MET A 1 3.748 1.260 0.497 1.00 53.01 H ATOM 15 HG2 MET A 1 3.782 2.583 2.453 1.00 32.03 H ATOM 16 HG3 MET A 1 2.114 2.125 2.827 1.00 74.43 H ATOM 17 HE1 MET A 1 5.119 2.357 4.532 1.00 74.41 H ATOM 18 HE2 MET A 1 5.264 0.950 5.644 1.00 33.13 H ATOM 19 HE3 MET A 1 5.934 0.865 3.989 1.00 73.11 H ATOM 20 N CYS A 2 1.063 3.495 0.101 1.00 41.41 N ATOM 21 CA CYS A 2 1.036 4.717 -0.694 1.00 41.03 C ATOM 22 C CYS A 2 1.866 5.814 -0.034 1.00 52.41 C ATOM 23 O CYS A 2 1.342 6.823 0.439 1.00 4.23 O ATOM 24 CB CYS A 2 -0.405 5.196 -0.883 1.00 62.31 C ATOM 25 SG CYS A 2 -1.597 3.856 -1.204 1.00 12.42 S ATOM 26 H CYS A 2 0.694 3.509 1.009 1.00 34.45 H ATOM 27 HA CYS A 2 1.461 4.493 -1.661 1.00 4.52 H ATOM 28 HB2 CYS A 2 -0.724 5.712 0.011 1.00 74.15 H ATOM 29 HB3 CYS A 2 -0.443 5.878 -1.720 1.00 22.25 H ATOM 30 N PRO A 3 3.192 5.615 -0.001 1.00 72.42 N ATOM 31 CA PRO A 3 4.123 6.576 0.597 1.00 15.04 C ATOM 32 C PRO A 3 4.237 7.858 -0.220 1.00 62.03 C ATOM 33 O PRO A 3 4.551 8.929 0.300 1.00 24.30 O ATOM 34 CB PRO A 3 5.456 5.824 0.602 1.00 75.52 C ATOM 35 CG PRO A 3 5.334 4.832 -0.503 1.00 63.41 C ATOM 36 CD PRO A 3 3.884 4.435 -0.546 1.00 45.13 C ATOM 37 HA PRO A 3 3.842 6.821 1.611 1.00 2.04 H ATOM 38 HB2 PRO A 3 6.264 6.518 0.423 1.00 4.14 H ATOM 39 HB3 PRO A 3 5.595 5.337 1.555 1.00 22.13 H ATOM 40 HG2 PRO A 3 5.627 5.285 -1.438 1.00 0.33 H ATOM 41 HG3 PRO A 3 5.952 3.971 -0.293 1.00 33.15 H ATOM 42 HD2 PRO A 3 3.576 4.242 -1.563 1.00 41.42 H ATOM 43 HD3 PRO A 3 3.712 3.567 0.073 1.00 1.20 H ATOM 44 N PRO A 4 3.977 7.750 -1.532 1.00 34.34 N ATOM 45 CA PRO A 4 4.043 8.891 -2.449 1.00 3.32 C ATOM 46 C PRO A 4 2.920 9.894 -2.209 1.00 2.45 C ATOM 47 O PRO A 4 3.051 11.077 -2.529 1.00 34.41 O ATOM 48 CB PRO A 4 3.898 8.246 -3.829 1.00 52.23 C ATOM 49 CG PRO A 4 3.158 6.977 -3.578 1.00 45.44 C ATOM 50 CD PRO A 4 3.596 6.505 -2.220 1.00 22.33 C ATOM 51 HA PRO A 4 4.996 9.397 -2.384 1.00 73.14 H ATOM 52 HB2 PRO A 4 3.342 8.906 -4.481 1.00 23.10 H ATOM 53 HB3 PRO A 4 4.875 8.057 -4.247 1.00 41.32 H ATOM 54 HG2 PRO A 4 2.095 7.164 -3.586 1.00 45.10 H ATOM 55 HG3 PRO A 4 3.418 6.247 -4.330 1.00 70.05 H ATOM 56 HD2 PRO A 4 2.780 6.016 -1.709 1.00 72.21 H ATOM 57 HD3 PRO A 4 4.442 5.839 -2.306 1.00 63.14 H ATOM 58 N LEU A 5 1.817 9.416 -1.643 1.00 5.33 N ATOM 59 CA LEU A 5 0.671 10.272 -1.359 1.00 34.13 C ATOM 60 C LEU A 5 -0.474 9.465 -0.753 1.00 4.52 C ATOM 61 O LEU A 5 -0.983 8.530 -1.370 1.00 61.32 O ATOM 62 CB LEU A 5 0.199 10.967 -2.637 1.00 72.00 C ATOM 63 CG LEU A 5 0.183 10.108 -3.902 1.00 21.43 C ATOM 64 CD1 LEU A 5 -1.228 10.003 -4.458 1.00 73.33 C ATOM 65 CD2 LEU A 5 1.130 10.680 -4.947 1.00 75.40 C ATOM 66 H LEU A 5 1.772 8.466 -1.410 1.00 64.20 H ATOM 67 HA LEU A 5 0.984 11.020 -0.646 1.00 41.43 H ATOM 68 HB2 LEU A 5 -0.805 11.324 -2.468 1.00 13.22 H ATOM 69 HB3 LEU A 5 0.853 11.808 -2.816 1.00 2.54 H ATOM 70 HG LEU A 5 0.519 9.110 -3.655 1.00 61.33 H ATOM 71 HD11 LEU A 5 -1.924 9.849 -3.648 1.00 13.13 H ATOM 72 HD12 LEU A 5 -1.284 9.170 -5.143 1.00 61.25 H ATOM 73 HD13 LEU A 5 -1.478 10.915 -4.980 1.00 61.03 H ATOM 74 HD21 LEU A 5 1.853 11.321 -4.465 1.00 73.34 H ATOM 75 HD22 LEU A 5 0.565 11.251 -5.669 1.00 11.44 H ATOM 76 HD23 LEU A 5 1.642 9.872 -5.449 1.00 75.45 H ATOM 77 N CYS A 6 -0.875 9.836 0.459 1.00 61.33 N ATOM 78 CA CYS A 6 -1.960 9.149 1.148 1.00 32.23 C ATOM 79 C CYS A 6 -3.315 9.572 0.588 1.00 40.12 C ATOM 80 O CYS A 6 -4.084 10.269 1.251 1.00 61.43 O ATOM 81 CB CYS A 6 -1.904 9.440 2.649 1.00 24.13 C ATOM 82 SG CYS A 6 -3.117 8.504 3.634 1.00 14.44 S ATOM 83 H CYS A 6 -0.430 10.590 0.900 1.00 22.15 H ATOM 84 HA CYS A 6 -1.835 8.088 0.991 1.00 0.42 H ATOM 85 HB2 CYS A 6 -0.920 9.191 3.019 1.00 4.05 H ATOM 86 HB3 CYS A 6 -2.088 10.491 2.812 1.00 52.54 H ATOM 87 N LYS A 7 -3.601 9.146 -0.638 1.00 0.11 N ATOM 88 CA LYS A 7 -4.863 9.478 -1.289 1.00 4.31 C ATOM 89 C LYS A 7 -5.952 8.481 -0.906 1.00 3.44 C ATOM 90 O LYS A 7 -5.678 7.377 -0.434 1.00 51.42 O ATOM 91 CB LYS A 7 -4.686 9.498 -2.809 1.00 33.31 C ATOM 92 CG LYS A 7 -4.589 10.897 -3.392 1.00 74.22 C ATOM 93 CD LYS A 7 -3.516 11.718 -2.697 1.00 71.30 C ATOM 94 CE LYS A 7 -2.845 12.686 -3.659 1.00 3.03 C ATOM 95 NZ LYS A 7 -3.495 14.025 -3.641 1.00 52.54 N ATOM 96 H LYS A 7 -2.947 8.594 -1.116 1.00 72.54 H ATOM 97 HA LYS A 7 -5.159 10.462 -0.957 1.00 25.23 H ATOM 98 HB2 LYS A 7 -3.783 8.962 -3.061 1.00 74.44 H ATOM 99 HB3 LYS A 7 -5.530 8.999 -3.264 1.00 30.45 H ATOM 100 HG2 LYS A 7 -4.348 10.824 -4.442 1.00 64.41 H ATOM 101 HG3 LYS A 7 -5.542 11.393 -3.274 1.00 33.10 H ATOM 102 HD2 LYS A 7 -3.969 12.281 -1.895 1.00 1.03 H ATOM 103 HD3 LYS A 7 -2.769 11.049 -2.293 1.00 31.01 H ATOM 104 HE2 LYS A 7 -1.809 12.795 -3.375 1.00 72.41 H ATOM 105 HE3 LYS A 7 -2.904 12.279 -4.658 1.00 5.44 H ATOM 106 HZ1 LYS A 7 -3.135 14.588 -2.845 1.00 24.14 H ATOM 107 HZ2 LYS A 7 -4.525 13.921 -3.540 1.00 72.22 H ATOM 108 HZ3 LYS A 7 -3.295 14.531 -4.528 1.00 13.33 H ATOM 109 N PRO A 8 -7.217 8.877 -1.113 1.00 65.40 N ATOM 110 CA PRO A 8 -8.372 8.031 -0.798 1.00 2.12 C ATOM 111 C PRO A 8 -8.488 6.835 -1.736 1.00 71.04 C ATOM 112 O PRO A 8 -8.060 6.894 -2.889 1.00 52.51 O ATOM 113 CB PRO A 8 -9.563 8.974 -0.984 1.00 1.44 C ATOM 114 CG PRO A 8 -9.084 10.004 -1.948 1.00 20.10 C ATOM 115 CD PRO A 8 -7.616 10.179 -1.672 1.00 12.02 C ATOM 116 HA PRO A 8 -8.342 7.683 0.224 1.00 2.45 H ATOM 117 HB2 PRO A 8 -10.404 8.422 -1.379 1.00 11.51 H ATOM 118 HB3 PRO A 8 -9.829 9.416 -0.035 1.00 24.21 H ATOM 119 HG2 PRO A 8 -9.237 9.659 -2.959 1.00 42.23 H ATOM 120 HG3 PRO A 8 -9.609 10.933 -1.783 1.00 53.13 H ATOM 121 HD2 PRO A 8 -7.082 10.386 -2.587 1.00 51.32 H ATOM 122 HD3 PRO A 8 -7.459 10.970 -0.954 1.00 12.43 H ATOM 123 N SER A 9 -9.070 5.750 -1.236 1.00 30.14 N ATOM 124 CA SER A 9 -9.240 4.538 -2.029 1.00 5.20 C ATOM 125 C SER A 9 -7.915 4.106 -2.650 1.00 62.12 C ATOM 126 O SER A 9 -7.869 3.665 -3.799 1.00 42.21 O ATOM 127 CB SER A 9 -10.281 4.764 -3.127 1.00 31.43 C ATOM 128 OG SER A 9 -9.712 5.430 -4.240 1.00 54.33 O ATOM 129 H SER A 9 -9.391 5.764 -0.309 1.00 43.24 H ATOM 130 HA SER A 9 -9.587 3.756 -1.370 1.00 42.50 H ATOM 131 HB2 SER A 9 -10.669 3.810 -3.453 1.00 2.54 H ATOM 132 HB3 SER A 9 -11.088 5.366 -2.735 1.00 32.20 H ATOM 133 HG SER A 9 -9.966 4.978 -5.048 1.00 54.33 H ATOM 134 N CYS A 10 -6.838 4.235 -1.882 1.00 53.41 N ATOM 135 CA CYS A 10 -5.511 3.859 -2.355 1.00 14.43 C ATOM 136 C CYS A 10 -5.176 2.427 -1.950 1.00 63.24 C ATOM 137 O CYS A 10 -4.081 1.933 -2.223 1.00 31.51 O ATOM 138 CB CYS A 10 -4.458 4.819 -1.797 1.00 62.51 C ATOM 139 SG CYS A 10 -2.850 4.733 -2.649 1.00 4.14 S ATOM 140 H CYS A 10 -6.938 4.593 -0.974 1.00 54.23 H ATOM 141 HA CYS A 10 -5.512 3.926 -3.432 1.00 24.40 H ATOM 142 HB2 CYS A 10 -4.822 5.832 -1.886 1.00 21.15 H ATOM 143 HB3 CYS A 10 -4.291 4.591 -0.755 1.00 0.34 H ATOM 144 N THR A 11 -6.126 1.764 -1.298 1.00 63.43 N ATOM 145 CA THR A 11 -5.932 0.389 -0.855 1.00 64.24 C ATOM 146 C THR A 11 -4.862 0.306 0.227 1.00 20.25 C ATOM 147 O THR A 11 -4.404 -0.781 0.578 1.00 3.42 O ATOM 148 CB THR A 11 -5.532 -0.528 -2.027 1.00 41.32 C ATOM 149 OG1 THR A 11 -6.288 -0.188 -3.195 1.00 4.40 O ATOM 150 CG2 THR A 11 -5.764 -1.989 -1.675 1.00 31.24 C ATOM 151 H THR A 11 -6.977 2.212 -1.111 1.00 22.44 H ATOM 152 HA THR A 11 -6.868 0.033 -0.451 1.00 12.30 H ATOM 153 HB THR A 11 -4.481 -0.385 -2.234 1.00 22.14 H ATOM 154 HG1 THR A 11 -5.801 -0.452 -3.979 1.00 60.25 H ATOM 155 HG21 THR A 11 -4.967 -2.335 -1.033 1.00 75.24 H ATOM 156 HG22 THR A 11 -5.780 -2.580 -2.579 1.00 11.42 H ATOM 157 HG23 THR A 11 -6.709 -2.090 -1.162 1.00 1.04 H ATOM 158 N ASN A 12 -4.469 1.461 0.754 1.00 22.02 N ATOM 159 CA ASN A 12 -3.452 1.518 1.798 1.00 13.34 C ATOM 160 C ASN A 12 -3.538 2.832 2.569 1.00 3.12 C ATOM 161 O ASN A 12 -2.559 3.278 3.168 1.00 4.04 O ATOM 162 CB ASN A 12 -2.057 1.361 1.190 1.00 32.42 C ATOM 163 CG ASN A 12 -1.353 0.108 1.675 1.00 12.14 C ATOM 164 OD1 ASN A 12 -1.258 -0.884 0.952 1.00 11.41 O ATOM 165 ND2 ASN A 12 -0.856 0.148 2.906 1.00 42.30 N ATOM 166 H ASN A 12 -4.871 2.295 0.433 1.00 33.21 H ATOM 167 HA ASN A 12 -3.632 0.701 2.481 1.00 51.50 H ATOM 168 HB2 ASN A 12 -2.144 1.307 0.115 1.00 50.54 H ATOM 169 HB3 ASN A 12 -1.456 2.216 1.457 1.00 45.41 H ATOM 170 HD21 ASN A 12 -0.969 0.972 3.425 1.00 52.11 H ATOM 171 HD22 ASN A 12 -0.395 -0.647 3.245 1.00 60.53 H ATOM 172 N CYS A 13 -4.715 3.447 2.550 1.00 13.51 N ATOM 173 CA CYS A 13 -4.930 4.710 3.247 1.00 53.04 C ATOM 174 C CYS A 13 -6.418 4.958 3.476 1.00 34.25 C ATOM 175 O CYS A 13 -7.117 5.501 2.636 1.00 61.15 O ATOM 176 CB CYS A 13 -4.327 5.867 2.447 1.00 20.33 C ATOM 177 SG CYS A 13 -2.824 6.580 3.190 1.00 34.24 S ATOM 178 H CYS A 13 -5.459 3.043 2.055 1.00 62.54 H ATOM 179 HA CYS A 13 -4.436 4.649 4.204 1.00 11.32 H ATOM 180 HB2 CYS A 13 -4.069 5.515 1.459 1.00 25.10 H ATOM 181 HB3 CYS A 13 -5.059 6.656 2.363 1.00 50.14 H HETATM 182 N NH2 A 14 -6.916 4.542 4.662 1.00 4.11 N HETATM 183 HN1 NH2 A 14 -7.887 4.680 4.866 1.00 33.32 H HETATM 184 HN2 NH2 A 14 -6.327 4.099 5.339 1.00 74.04 H TER 185 NH2 A 14 ENDMDL MODEL 10 ATOM 1 N MET A 1 1.704 0.051 -0.784 1.00 44.23 N ATOM 2 CA MET A 1 1.955 1.237 0.068 1.00 13.14 C ATOM 3 C MET A 1 1.921 2.503 -0.763 1.00 52.10 C ATOM 4 O MET A 1 2.415 2.463 -1.890 1.00 25.20 O ATOM 5 CB MET A 1 3.294 1.140 0.862 1.00 54.35 C ATOM 6 CG MET A 1 3.322 1.981 2.173 1.00 35.22 C ATOM 7 SD MET A 1 4.522 1.323 3.392 1.00 44.04 S ATOM 8 CE MET A 1 3.564 0.993 4.905 1.00 34.23 C ATOM 9 H1 MET A 1 2.569 -0.599 -0.795 1.00 23.31 H ATOM 10 H2 MET A 1 0.902 -0.546 -0.380 1.00 55.52 H ATOM 11 H3 MET A 1 1.463 0.361 -1.761 1.00 21.42 H ATOM 12 HA MET A 1 1.133 1.305 0.804 1.00 4.43 H ATOM 13 HB2 MET A 1 3.465 0.081 1.116 1.00 74.13 H ATOM 14 HB3 MET A 1 4.118 1.449 0.201 1.00 3.12 H ATOM 15 HG2 MET A 1 3.467 3.053 1.978 1.00 74.31 H ATOM 16 HG3 MET A 1 2.351 1.874 2.685 1.00 5.45 H ATOM 17 HE1 MET A 1 3.524 -0.090 5.088 1.00 73.45 H ATOM 18 HE2 MET A 1 3.996 1.502 5.780 1.00 73.13 H ATOM 19 HE3 MET A 1 2.537 1.359 4.756 1.00 33.13 H ATOM 20 N CYS A 2 1.365 3.599 -0.256 1.00 61.33 N ATOM 21 CA CYS A 2 1.302 4.844 -1.011 1.00 45.23 C ATOM 22 C CYS A 2 2.088 5.947 -0.308 1.00 1.05 C ATOM 23 O CYS A 2 1.526 6.919 0.197 1.00 54.22 O ATOM 24 CB CYS A 2 -0.152 5.279 -1.198 1.00 54.12 C ATOM 25 SG CYS A 2 -1.295 3.911 -1.576 1.00 44.24 S ATOM 26 H CYS A 2 0.987 3.569 0.648 1.00 22.14 H ATOM 27 HA CYS A 2 1.744 4.668 -1.980 1.00 75.55 H ATOM 28 HB2 CYS A 2 -0.498 5.753 -0.291 1.00 22.12 H ATOM 29 HB3 CYS A 2 -0.207 5.988 -2.011 1.00 63.23 H ATOM 30 N PRO A 3 3.420 5.794 -0.272 1.00 41.11 N ATOM 31 CA PRO A 3 4.312 6.767 0.366 1.00 31.11 C ATOM 32 C PRO A 3 4.385 8.080 -0.406 1.00 31.11 C ATOM 33 O PRO A 3 4.656 9.143 0.154 1.00 61.53 O ATOM 34 CB PRO A 3 5.671 6.063 0.354 1.00 43.11 C ATOM 35 CG PRO A 3 5.593 5.107 -0.786 1.00 35.35 C ATOM 36 CD PRO A 3 4.158 4.660 -0.853 1.00 23.01 C ATOM 37 HA PRO A 3 4.017 6.966 1.386 1.00 51.11 H ATOM 38 HB2 PRO A 3 6.455 6.792 0.206 1.00 45.25 H ATOM 39 HB3 PRO A 3 5.823 5.549 1.291 1.00 72.20 H ATOM 40 HG2 PRO A 3 5.874 5.603 -1.702 1.00 22.03 H ATOM 41 HG3 PRO A 3 6.239 4.262 -0.601 1.00 25.15 H ATOM 42 HD2 PRO A 3 3.863 4.492 -1.878 1.00 21.00 H ATOM 43 HD3 PRO A 3 4.014 3.765 -0.265 1.00 52.32 H ATOM 44 N PRO A 4 4.137 8.008 -1.722 1.00 42.01 N ATOM 45 CA PRO A 4 4.168 9.183 -2.599 1.00 20.43 C ATOM 46 C PRO A 4 3.007 10.135 -2.333 1.00 3.03 C ATOM 47 O PRO A 4 3.097 11.332 -2.610 1.00 72.20 O ATOM 48 CB PRO A 4 4.055 8.581 -4.002 1.00 4.12 C ATOM 49 CG PRO A 4 3.361 7.278 -3.801 1.00 5.22 C ATOM 50 CD PRO A 4 3.807 6.775 -2.456 1.00 23.31 C ATOM 51 HA PRO A 4 5.101 9.720 -2.509 1.00 72.13 H ATOM 52 HB2 PRO A 4 3.480 9.242 -4.635 1.00 5.54 H ATOM 53 HB3 PRO A 4 5.042 8.443 -4.418 1.00 72.42 H ATOM 54 HG2 PRO A 4 2.292 7.426 -3.810 1.00 44.24 H ATOM 55 HG3 PRO A 4 3.653 6.584 -4.576 1.00 14.44 H ATOM 56 HD2 PRO A 4 3.006 6.239 -1.969 1.00 20.20 H ATOM 57 HD3 PRO A 4 4.678 6.144 -2.559 1.00 32.42 H ATOM 58 N LEU A 5 1.919 9.597 -1.794 1.00 13.44 N ATOM 59 CA LEU A 5 0.739 10.400 -1.489 1.00 43.33 C ATOM 60 C LEU A 5 -0.376 9.533 -0.914 1.00 1.32 C ATOM 61 O LEU A 5 -0.844 8.596 -1.560 1.00 75.32 O ATOM 62 CB LEU A 5 0.246 11.116 -2.748 1.00 64.23 C ATOM 63 CG LEU A 5 0.301 10.307 -4.045 1.00 10.02 C ATOM 64 CD1 LEU A 5 -1.087 10.179 -4.653 1.00 31.33 C ATOM 65 CD2 LEU A 5 1.261 10.950 -5.035 1.00 3.24 C ATOM 66 H LEU A 5 1.907 8.638 -1.595 1.00 53.30 H ATOM 67 HA LEU A 5 1.022 11.138 -0.753 1.00 73.10 H ATOM 68 HB2 LEU A 5 -0.780 11.406 -2.583 1.00 44.31 H ATOM 69 HB3 LEU A 5 0.852 12.001 -2.883 1.00 61.33 H ATOM 70 HG LEU A 5 0.662 9.312 -3.826 1.00 21.52 H ATOM 71 HD11 LEU A 5 -1.042 9.541 -5.522 1.00 45.15 H ATOM 72 HD12 LEU A 5 -1.446 11.156 -4.941 1.00 25.21 H ATOM 73 HD13 LEU A 5 -1.760 9.749 -3.925 1.00 72.02 H ATOM 74 HD21 LEU A 5 1.035 12.002 -5.124 1.00 54.14 H ATOM 75 HD22 LEU A 5 1.155 10.475 -5.999 1.00 4.13 H ATOM 76 HD23 LEU A 5 2.276 10.828 -4.683 1.00 13.40 H ATOM 77 N CYS A 6 -0.799 9.854 0.305 1.00 64.25 N ATOM 78 CA CYS A 6 -1.860 9.106 0.968 1.00 51.24 C ATOM 79 C CYS A 6 -3.227 9.489 0.407 1.00 62.33 C ATOM 80 O CYS A 6 -4.052 10.081 1.102 1.00 53.20 O ATOM 81 CB CYS A 6 -1.826 9.361 2.476 1.00 72.42 C ATOM 82 SG CYS A 6 -2.904 8.253 3.441 1.00 41.40 S ATOM 83 H CYS A 6 -0.386 10.612 0.770 1.00 41.30 H ATOM 84 HA CYS A 6 -1.691 8.056 0.785 1.00 42.15 H ATOM 85 HB2 CYS A 6 -0.815 9.227 2.833 1.00 54.10 H ATOM 86 HB3 CYS A 6 -2.139 10.376 2.669 1.00 35.11 H ATOM 87 N LYS A 7 -3.459 9.145 -0.856 1.00 11.53 N ATOM 88 CA LYS A 7 -4.725 9.450 -1.511 1.00 52.44 C ATOM 89 C LYS A 7 -5.799 8.442 -1.116 1.00 14.21 C ATOM 90 O LYS A 7 -5.510 7.350 -0.626 1.00 42.24 O ATOM 91 CB LYS A 7 -4.548 9.453 -3.031 1.00 53.15 C ATOM 92 CG LYS A 7 -4.466 10.846 -3.632 1.00 31.13 C ATOM 93 CD LYS A 7 -3.365 11.668 -2.983 1.00 52.55 C ATOM 94 CE LYS A 7 -3.937 12.766 -2.099 1.00 22.45 C ATOM 95 NZ LYS A 7 -3.108 12.984 -0.881 1.00 31.24 N ATOM 96 H LYS A 7 -2.762 8.674 -1.359 1.00 4.32 H ATOM 97 HA LYS A 7 -5.036 10.433 -1.192 1.00 11.51 H ATOM 98 HB2 LYS A 7 -3.640 8.924 -3.277 1.00 65.40 H ATOM 99 HB3 LYS A 7 -5.386 8.939 -3.480 1.00 54.53 H ATOM 100 HG2 LYS A 7 -4.262 10.761 -4.689 1.00 12.22 H ATOM 101 HG3 LYS A 7 -5.412 11.348 -3.485 1.00 31.33 H ATOM 102 HD2 LYS A 7 -2.750 11.018 -2.379 1.00 51.42 H ATOM 103 HD3 LYS A 7 -2.762 12.120 -3.758 1.00 42.41 H ATOM 104 HE2 LYS A 7 -3.977 13.683 -2.665 1.00 43.04 H ATOM 105 HE3 LYS A 7 -4.935 12.484 -1.799 1.00 14.14 H ATOM 106 HZ1 LYS A 7 -3.719 13.194 -0.065 1.00 62.45 H ATOM 107 HZ2 LYS A 7 -2.459 13.783 -1.029 1.00 11.00 H ATOM 108 HZ3 LYS A 7 -2.549 12.132 -0.672 1.00 10.45 H ATOM 109 N PRO A 8 -7.070 8.814 -1.333 1.00 62.23 N ATOM 110 CA PRO A 8 -8.212 7.955 -1.008 1.00 74.14 C ATOM 111 C PRO A 8 -8.306 6.743 -1.929 1.00 35.45 C ATOM 112 O PRO A 8 -7.900 6.799 -3.089 1.00 54.31 O ATOM 113 CB PRO A 8 -9.418 8.876 -1.212 1.00 62.14 C ATOM 114 CG PRO A 8 -8.952 9.898 -2.191 1.00 73.13 C ATOM 115 CD PRO A 8 -7.488 10.101 -1.913 1.00 74.25 C ATOM 116 HA PRO A 8 -8.180 7.624 0.019 1.00 32.33 H ATOM 117 HB2 PRO A 8 -10.249 8.304 -1.602 1.00 2.54 H ATOM 118 HB3 PRO A 8 -9.694 9.328 -0.272 1.00 23.35 H ATOM 119 HG2 PRO A 8 -9.096 9.535 -3.198 1.00 32.04 H ATOM 120 HG3 PRO A 8 -9.493 10.821 -2.043 1.00 21.12 H ATOM 121 HD2 PRO A 8 -6.955 10.302 -2.830 1.00 43.34 H ATOM 122 HD3 PRO A 8 -7.346 10.906 -1.207 1.00 74.43 H ATOM 123 N SER A 9 -8.845 5.647 -1.403 1.00 21.20 N ATOM 124 CA SER A 9 -8.989 4.419 -2.177 1.00 12.32 C ATOM 125 C SER A 9 -7.625 3.858 -2.565 1.00 44.42 C ATOM 126 O SER A 9 -7.428 3.394 -3.688 1.00 71.54 O ATOM 127 CB SER A 9 -9.823 4.678 -3.433 1.00 51.40 C ATOM 128 OG SER A 9 -10.962 5.467 -3.135 1.00 52.03 O ATOM 129 H SER A 9 -9.150 5.664 -0.472 1.00 10.04 H ATOM 130 HA SER A 9 -9.500 3.696 -1.559 1.00 0.02 H ATOM 131 HB2 SER A 9 -9.220 5.199 -4.161 1.00 52.12 H ATOM 132 HB3 SER A 9 -10.151 3.735 -3.845 1.00 64.21 H ATOM 133 HG SER A 9 -11.747 5.043 -3.490 1.00 30.10 H ATOM 134 N CYS A 10 -6.684 3.906 -1.628 1.00 20.32 N ATOM 135 CA CYS A 10 -5.337 3.404 -1.870 1.00 22.44 C ATOM 136 C CYS A 10 -5.187 1.976 -1.351 1.00 10.32 C ATOM 137 O CYS A 10 -4.097 1.404 -1.379 1.00 2.12 O ATOM 138 CB CYS A 10 -4.304 4.312 -1.200 1.00 44.24 C ATOM 139 SG CYS A 10 -2.995 4.902 -2.322 1.00 50.21 S ATOM 140 H CYS A 10 -6.901 4.288 -0.751 1.00 50.20 H ATOM 141 HA CYS A 10 -5.168 3.405 -2.936 1.00 12.54 H ATOM 142 HB2 CYS A 10 -4.806 5.180 -0.798 1.00 22.12 H ATOM 143 HB3 CYS A 10 -3.828 3.772 -0.395 1.00 73.02 H ATOM 144 N THR A 11 -6.291 1.406 -0.877 1.00 65.32 N ATOM 145 CA THR A 11 -6.283 0.047 -0.351 1.00 61.43 C ATOM 146 C THR A 11 -5.464 -0.042 0.931 1.00 20.13 C ATOM 147 O THR A 11 -5.165 -1.134 1.414 1.00 41.44 O ATOM 148 CB THR A 11 -5.715 -0.950 -1.379 1.00 72.33 C ATOM 149 OG1 THR A 11 -6.194 -0.628 -2.690 1.00 24.20 O ATOM 150 CG2 THR A 11 -6.111 -2.376 -1.026 1.00 23.12 C ATOM 151 H THR A 11 -7.129 1.913 -0.882 1.00 30.24 H ATOM 152 HA THR A 11 -7.304 -0.233 -0.135 1.00 62.34 H ATOM 153 HB THR A 11 -4.637 -0.879 -1.370 1.00 40.31 H ATOM 154 HG1 THR A 11 -5.646 -1.065 -3.347 1.00 31.11 H ATOM 155 HG21 THR A 11 -5.300 -2.853 -0.496 1.00 60.23 H ATOM 156 HG22 THR A 11 -6.322 -2.926 -1.931 1.00 30.10 H ATOM 157 HG23 THR A 11 -6.990 -2.361 -0.400 1.00 14.12 H ATOM 158 N ASN A 12 -5.105 1.114 1.480 1.00 43.13 N ATOM 159 CA ASN A 12 -4.320 1.166 2.708 1.00 42.32 C ATOM 160 C ASN A 12 -4.053 2.610 3.122 1.00 51.32 C ATOM 161 O ASN A 12 -2.996 2.926 3.668 1.00 24.01 O ATOM 162 CB ASN A 12 -2.995 0.424 2.523 1.00 62.02 C ATOM 163 CG ASN A 12 -2.269 0.843 1.259 1.00 61.01 C ATOM 164 OD1 ASN A 12 -2.416 0.218 0.209 1.00 74.32 O ATOM 165 ND2 ASN A 12 -1.479 1.906 1.355 1.00 12.33 N ATOM 166 H ASN A 12 -5.373 1.952 1.048 1.00 13.03 H ATOM 167 HA ASN A 12 -4.889 0.680 3.486 1.00 40.23 H ATOM 168 HB2 ASN A 12 -2.353 0.629 3.368 1.00 74.13 H ATOM 169 HB3 ASN A 12 -3.187 -0.637 2.471 1.00 72.00 H ATOM 170 HD21 ASN A 12 -1.410 2.355 2.224 1.00 20.21 H ATOM 171 HD22 ASN A 12 -0.998 2.199 0.553 1.00 14.43 H ATOM 172 N CYS A 13 -5.019 3.484 2.859 1.00 74.44 N ATOM 173 CA CYS A 13 -4.891 4.894 3.203 1.00 4.32 C ATOM 174 C CYS A 13 -6.259 5.568 3.257 1.00 3.12 C ATOM 175 O CYS A 13 -6.582 6.292 4.185 1.00 15.02 O ATOM 176 CB CYS A 13 -3.997 5.610 2.188 1.00 74.53 C ATOM 177 SG CYS A 13 -2.507 6.367 2.912 1.00 54.32 S ATOM 178 H CYS A 13 -5.840 3.172 2.421 1.00 30.30 H ATOM 179 HA CYS A 13 -4.433 4.957 4.179 1.00 54.31 H ATOM 180 HB2 CYS A 13 -3.674 4.899 1.441 1.00 23.22 H ATOM 181 HB3 CYS A 13 -4.566 6.393 1.709 1.00 63.03 H HETATM 182 N NH2 A 14 -7.088 5.317 2.220 1.00 31.35 N HETATM 183 HN1 NH2 A 14 -8.000 5.734 2.204 1.00 24.54 H HETATM 184 HN2 NH2 A 14 -6.805 4.721 1.469 1.00 21.31 H TER 185 NH2 A 14 ENDMDL MODEL 11 ATOM 1 N MET A 1 2.530 0.051 -0.591 1.00 42.15 N ATOM 2 CA MET A 1 1.829 1.139 0.130 1.00 3.23 C ATOM 3 C MET A 1 1.825 2.407 -0.699 1.00 74.13 C ATOM 4 O MET A 1 2.336 2.362 -1.819 1.00 34.22 O ATOM 5 CB MET A 1 2.430 1.413 1.543 1.00 53.11 C ATOM 6 CG MET A 1 3.962 1.696 1.542 1.00 70.20 C ATOM 7 SD MET A 1 4.794 1.008 3.023 1.00 13.13 S ATOM 8 CE MET A 1 4.731 2.323 4.283 1.00 35.44 C ATOM 9 H1 MET A 1 1.827 -0.544 -1.159 1.00 75.10 H ATOM 10 H2 MET A 1 3.215 0.457 -1.319 1.00 63.15 H ATOM 11 H3 MET A 1 3.053 -0.551 0.095 1.00 5.11 H ATOM 12 HA MET A 1 0.777 0.832 0.267 1.00 14.51 H ATOM 13 HB2 MET A 1 1.909 2.285 1.973 1.00 72.14 H ATOM 14 HB3 MET A 1 2.208 0.554 2.194 1.00 73.44 H ATOM 15 HG2 MET A 1 4.443 1.379 0.606 1.00 42.22 H ATOM 16 HG3 MET A 1 4.124 2.782 1.637 1.00 22.31 H ATOM 17 HE1 MET A 1 4.065 2.016 5.103 1.00 42.12 H ATOM 18 HE2 MET A 1 5.730 2.553 4.681 1.00 31.15 H ATOM 19 HE3 MET A 1 4.317 3.232 3.821 1.00 64.51 H ATOM 20 N CYS A 2 1.276 3.509 -0.199 1.00 61.10 N ATOM 21 CA CYS A 2 1.241 4.756 -0.953 1.00 4.44 C ATOM 22 C CYS A 2 2.034 5.846 -0.237 1.00 42.41 C ATOM 23 O CYS A 2 1.480 6.824 0.265 1.00 54.34 O ATOM 24 CB CYS A 2 -0.204 5.213 -1.157 1.00 55.01 C ATOM 25 SG CYS A 2 -1.362 3.863 -1.552 1.00 62.25 S ATOM 26 H CYS A 2 0.884 3.483 0.700 1.00 63.21 H ATOM 27 HA CYS A 2 1.692 4.575 -1.916 1.00 71.34 H ATOM 28 HB2 CYS A 2 -0.554 5.690 -0.253 1.00 53.21 H ATOM 29 HB3 CYS A 2 -0.238 5.924 -1.969 1.00 70.03 H ATOM 30 N PRO A 3 3.364 5.676 -0.189 1.00 33.44 N ATOM 31 CA PRO A 3 4.262 6.634 0.462 1.00 53.41 C ATOM 32 C PRO A 3 4.360 7.949 -0.305 1.00 21.22 C ATOM 33 O PRO A 3 4.640 9.006 0.261 1.00 35.01 O ATOM 34 CB PRO A 3 5.612 5.913 0.461 1.00 33.34 C ATOM 35 CG PRO A 3 5.532 4.961 -0.682 1.00 50.10 C ATOM 36 CD PRO A 3 4.093 4.534 -0.766 1.00 33.35 C ATOM 37 HA PRO A 3 3.959 6.834 1.479 1.00 11.34 H ATOM 38 HB2 PRO A 3 6.407 6.632 0.323 1.00 30.35 H ATOM 39 HB3 PRO A 3 5.747 5.393 1.398 1.00 13.42 H ATOM 40 HG2 PRO A 3 5.830 5.457 -1.594 1.00 34.54 H ATOM 41 HG3 PRO A 3 6.166 4.107 -0.493 1.00 53.22 H ATOM 42 HD2 PRO A 3 3.806 4.373 -1.794 1.00 71.12 H ATOM 43 HD3 PRO A 3 3.930 3.639 -0.182 1.00 43.24 H ATOM 44 N PRO A 4 4.125 7.884 -1.624 1.00 1.52 N ATOM 45 CA PRO A 4 4.180 9.061 -2.496 1.00 45.30 C ATOM 46 C PRO A 4 3.030 10.028 -2.239 1.00 12.21 C ATOM 47 O PRO A 4 3.138 11.225 -2.511 1.00 21.32 O ATOM 48 CB PRO A 4 4.075 8.466 -3.902 1.00 75.22 C ATOM 49 CG PRO A 4 3.361 7.172 -3.713 1.00 24.32 C ATOM 50 CD PRO A 4 3.787 6.658 -2.365 1.00 75.00 C ATOM 51 HA PRO A 4 5.119 9.586 -2.395 1.00 63.13 H ATOM 52 HB2 PRO A 4 3.515 9.137 -4.539 1.00 31.13 H ATOM 53 HB3 PRO A 4 5.063 8.316 -4.309 1.00 22.31 H ATOM 54 HG2 PRO A 4 2.294 7.334 -3.733 1.00 25.11 H ATOM 55 HG3 PRO A 4 3.651 6.477 -4.487 1.00 23.52 H ATOM 56 HD2 PRO A 4 2.973 6.131 -1.888 1.00 42.22 H ATOM 57 HD3 PRO A 4 4.650 6.016 -2.461 1.00 74.21 H ATOM 58 N LEU A 5 1.928 9.503 -1.713 1.00 45.33 N ATOM 59 CA LEU A 5 0.757 10.321 -1.419 1.00 33.35 C ATOM 60 C LEU A 5 -0.376 9.466 -0.859 1.00 13.52 C ATOM 61 O LEU A 5 -0.848 8.536 -1.513 1.00 55.20 O ATOM 62 CB LEU A 5 0.287 11.048 -2.680 1.00 22.21 C ATOM 63 CG LEU A 5 0.346 10.244 -3.979 1.00 71.22 C ATOM 64 CD1 LEU A 5 -1.037 10.136 -4.603 1.00 62.20 C ATOM 65 CD2 LEU A 5 1.325 10.879 -4.955 1.00 64.35 C ATOM 66 H LEU A 5 1.902 8.544 -1.518 1.00 74.34 H ATOM 67 HA LEU A 5 1.041 11.052 -0.676 1.00 71.42 H ATOM 68 HB2 LEU A 5 -0.737 11.351 -2.525 1.00 22.11 H ATOM 69 HB3 LEU A 5 0.906 11.925 -2.804 1.00 52.33 H ATOM 70 HG LEU A 5 0.692 9.243 -3.760 1.00 73.24 H ATOM 71 HD11 LEU A 5 -1.364 11.113 -4.924 1.00 12.12 H ATOM 72 HD12 LEU A 5 -1.731 9.745 -3.874 1.00 31.20 H ATOM 73 HD13 LEU A 5 -0.997 9.471 -5.454 1.00 1.41 H ATOM 74 HD21 LEU A 5 2.334 10.740 -4.595 1.00 13.21 H ATOM 75 HD22 LEU A 5 1.115 11.935 -5.040 1.00 72.54 H ATOM 76 HD23 LEU A 5 1.221 10.412 -5.924 1.00 63.14 H ATOM 77 N CYS A 6 -0.810 9.790 0.355 1.00 61.30 N ATOM 78 CA CYS A 6 -1.889 9.054 1.003 1.00 2.12 C ATOM 79 C CYS A 6 -3.244 9.455 0.427 1.00 44.41 C ATOM 80 O CYS A 6 -4.069 10.059 1.113 1.00 43.31 O ATOM 81 CB CYS A 6 -1.870 9.304 2.512 1.00 1.24 C ATOM 82 SG CYS A 6 -2.970 8.205 3.462 1.00 3.50 S ATOM 83 H CYS A 6 -0.394 10.542 0.827 1.00 4.02 H ATOM 84 HA CYS A 6 -1.731 8.002 0.819 1.00 3.34 H ATOM 85 HB2 CYS A 6 -0.865 9.160 2.881 1.00 63.31 H ATOM 86 HB3 CYS A 6 -2.175 10.322 2.705 1.00 52.12 H ATOM 87 N LYS A 7 -3.466 9.115 -0.838 1.00 54.31 N ATOM 88 CA LYS A 7 -4.721 9.438 -1.508 1.00 63.40 C ATOM 89 C LYS A 7 -5.812 8.441 -1.129 1.00 65.13 C ATOM 90 O LYS A 7 -5.541 7.344 -0.640 1.00 60.14 O ATOM 91 CB LYS A 7 -4.525 9.443 -3.026 1.00 11.52 C ATOM 92 CG LYS A 7 -4.419 10.837 -3.620 1.00 3.30 C ATOM 93 CD LYS A 7 -3.317 11.645 -2.954 1.00 70.32 C ATOM 94 CE LYS A 7 -3.887 12.749 -2.078 1.00 14.31 C ATOM 95 NZ LYS A 7 -3.120 12.904 -0.811 1.00 40.42 N ATOM 96 H LYS A 7 -2.770 8.634 -1.333 1.00 42.53 H ATOM 97 HA LYS A 7 -5.024 10.423 -1.189 1.00 4.22 H ATOM 98 HB2 LYS A 7 -3.620 8.904 -3.262 1.00 61.22 H ATOM 99 HB3 LYS A 7 -5.364 8.942 -3.487 1.00 21.33 H ATOM 100 HG2 LYS A 7 -4.202 10.754 -4.675 1.00 22.25 H ATOM 101 HG3 LYS A 7 -5.361 11.350 -3.484 1.00 23.43 H ATOM 102 HD2 LYS A 7 -2.720 10.986 -2.341 1.00 14.24 H ATOM 103 HD3 LYS A 7 -2.695 12.088 -3.719 1.00 55.41 H ATOM 104 HE2 LYS A 7 -3.854 13.679 -2.625 1.00 65.33 H ATOM 105 HE3 LYS A 7 -4.913 12.509 -1.840 1.00 72.34 H ATOM 106 HZ1 LYS A 7 -2.807 13.890 -0.701 1.00 62.12 H ATOM 107 HZ2 LYS A 7 -2.284 12.285 -0.822 1.00 53.20 H ATOM 108 HZ3 LYS A 7 -3.716 12.648 0.001 1.00 12.54 H ATOM 109 N PRO A 8 -7.075 8.828 -1.361 1.00 4.43 N ATOM 110 CA PRO A 8 -8.231 7.982 -1.053 1.00 13.11 C ATOM 111 C PRO A 8 -8.329 6.774 -1.979 1.00 4.35 C ATOM 112 O PRO A 8 -7.904 6.829 -3.133 1.00 14.12 O ATOM 113 CB PRO A 8 -9.423 8.918 -1.268 1.00 51.32 C ATOM 114 CG PRO A 8 -8.933 9.938 -2.238 1.00 15.04 C ATOM 115 CD PRO A 8 -7.471 10.122 -1.941 1.00 42.43 C ATOM 116 HA PRO A 8 -8.216 7.647 -0.026 1.00 64.01 H ATOM 117 HB2 PRO A 8 -10.256 8.358 -1.670 1.00 10.24 H ATOM 118 HB3 PRO A 8 -9.705 9.370 -0.329 1.00 40.01 H ATOM 119 HG2 PRO A 8 -9.069 9.580 -3.247 1.00 15.41 H ATOM 120 HG3 PRO A 8 -9.465 10.867 -2.092 1.00 62.03 H ATOM 121 HD2 PRO A 8 -6.924 10.321 -2.851 1.00 24.21 H ATOM 122 HD3 PRO A 8 -7.328 10.923 -1.231 1.00 2.05 H ATOM 123 N SER A 9 -8.890 5.685 -1.465 1.00 32.41 N ATOM 124 CA SER A 9 -9.040 4.462 -2.245 1.00 71.31 C ATOM 125 C SER A 9 -7.678 3.883 -2.615 1.00 22.22 C ATOM 126 O SER A 9 -7.472 3.416 -3.736 1.00 21.15 O ATOM 127 CB SER A 9 -9.851 4.737 -3.513 1.00 32.32 C ATOM 128 OG SER A 9 -10.678 5.876 -3.352 1.00 34.01 O ATOM 129 H SER A 9 -9.209 5.703 -0.538 1.00 60.01 H ATOM 130 HA SER A 9 -9.570 3.744 -1.637 1.00 73.34 H ATOM 131 HB2 SER A 9 -9.177 4.910 -4.338 1.00 32.12 H ATOM 132 HB3 SER A 9 -10.475 3.881 -3.730 1.00 44.44 H ATOM 133 HG SER A 9 -11.044 6.129 -4.203 1.00 5.52 H ATOM 134 N CYS A 10 -6.750 3.917 -1.664 1.00 62.04 N ATOM 135 CA CYS A 10 -5.406 3.397 -1.888 1.00 33.03 C ATOM 136 C CYS A 10 -5.283 1.968 -1.368 1.00 22.34 C ATOM 137 O CYS A 10 -4.200 1.381 -1.380 1.00 41.24 O ATOM 138 CB CYS A 10 -4.370 4.292 -1.204 1.00 34.51 C ATOM 139 SG CYS A 10 -3.045 4.874 -2.310 1.00 31.13 S ATOM 140 H CYS A 10 -6.974 4.302 -0.790 1.00 61.14 H ATOM 141 HA CYS A 10 -5.223 3.397 -2.951 1.00 61.13 H ATOM 142 HB2 CYS A 10 -4.868 5.162 -0.801 1.00 44.25 H ATOM 143 HB3 CYS A 10 -3.908 3.742 -0.397 1.00 14.31 H ATOM 144 N THR A 11 -6.400 1.412 -0.910 1.00 73.40 N ATOM 145 CA THR A 11 -6.418 0.052 -0.385 1.00 11.32 C ATOM 146 C THR A 11 -5.619 -0.048 0.909 1.00 3.33 C ATOM 147 O THR A 11 -5.341 -1.143 1.395 1.00 22.20 O ATOM 148 CB THR A 11 -5.849 -0.952 -1.405 1.00 53.31 C ATOM 149 OG1 THR A 11 -6.305 -0.623 -2.722 1.00 43.23 O ATOM 150 CG2 THR A 11 -6.269 -2.372 -1.058 1.00 63.31 C ATOM 151 H THR A 11 -7.232 1.930 -0.926 1.00 61.31 H ATOM 152 HA THR A 11 -7.446 -0.214 -0.183 1.00 64.14 H ATOM 153 HB THR A 11 -4.770 -0.894 -1.381 1.00 34.54 H ATOM 154 HG1 THR A 11 -7.265 -0.646 -2.744 1.00 45.22 H ATOM 155 HG21 THR A 11 -6.395 -2.942 -1.966 1.00 42.14 H ATOM 156 HG22 THR A 11 -7.202 -2.350 -0.515 1.00 51.32 H ATOM 157 HG23 THR A 11 -5.507 -2.833 -0.447 1.00 33.14 H ATOM 158 N ASN A 12 -5.252 1.103 1.463 1.00 11.53 N ATOM 159 CA ASN A 12 -4.484 1.145 2.702 1.00 20.14 C ATOM 160 C ASN A 12 -4.199 2.585 3.118 1.00 52.00 C ATOM 161 O ASN A 12 -3.144 2.884 3.677 1.00 2.34 O ATOM 162 CB ASN A 12 -3.169 0.380 2.538 1.00 40.45 C ATOM 163 CG ASN A 12 -2.555 0.575 1.164 1.00 33.14 C ATOM 164 OD1 ASN A 12 -2.861 -0.161 0.226 1.00 64.01 O ATOM 165 ND2 ASN A 12 -1.685 1.570 1.041 1.00 24.13 N ATOM 166 H ASN A 12 -5.504 1.945 1.029 1.00 45.13 H ATOM 167 HA ASN A 12 -5.072 0.670 3.473 1.00 72.31 H ATOM 168 HB2 ASN A 12 -2.463 0.727 3.278 1.00 21.22 H ATOM 169 HB3 ASN A 12 -3.351 -0.674 2.685 1.00 41.53 H ATOM 170 HD21 ASN A 12 -1.489 2.115 1.832 1.00 14.30 H ATOM 171 HD22 ASN A 12 -1.273 1.719 0.164 1.00 32.44 H ATOM 172 N CYS A 13 -5.148 3.473 2.841 1.00 2.42 N ATOM 173 CA CYS A 13 -5.001 4.882 3.186 1.00 43.43 C ATOM 174 C CYS A 13 -6.358 5.578 3.221 1.00 52.41 C ATOM 175 O CYS A 13 -6.660 6.354 4.114 1.00 44.43 O ATOM 176 CB CYS A 13 -4.083 5.581 2.181 1.00 42.41 C ATOM 177 SG CYS A 13 -2.591 6.318 2.924 1.00 72.24 S ATOM 178 H CYS A 13 -5.968 3.174 2.394 1.00 43.24 H ATOM 179 HA CYS A 13 -4.555 4.939 4.167 1.00 12.41 H ATOM 180 HB2 CYS A 13 -3.760 4.864 1.440 1.00 11.13 H ATOM 181 HB3 CYS A 13 -4.632 6.372 1.693 1.00 54.54 H HETATM 182 N NH2 A 14 -7.204 5.286 2.209 1.00 74.30 N HETATM 183 HN1 NH2 A 14 -8.110 5.715 2.182 1.00 30.42 H HETATM 184 HN2 NH2 A 14 -6.939 4.647 1.486 1.00 15.14 H TER 185 NH2 A 14 ENDMDL MODEL 12 ATOM 1 N MET A 1 1.895 -0.043 -0.810 1.00 31.30 N ATOM 2 CA MET A 1 1.873 1.133 0.090 1.00 13.55 C ATOM 3 C MET A 1 1.853 2.416 -0.716 1.00 12.13 C ATOM 4 O MET A 1 2.344 2.392 -1.845 1.00 22.15 O ATOM 5 CB MET A 1 3.058 1.143 1.103 1.00 44.11 C ATOM 6 CG MET A 1 2.772 1.933 2.415 1.00 40.42 C ATOM 7 SD MET A 1 3.872 1.419 3.787 1.00 22.33 S ATOM 8 CE MET A 1 4.747 2.927 4.315 1.00 12.31 C ATOM 9 H1 MET A 1 2.595 0.111 -1.621 1.00 13.20 H ATOM 10 H2 MET A 1 2.251 -0.917 -0.286 1.00 50.32 H ATOM 11 H3 MET A 1 0.928 -0.221 -1.186 1.00 20.34 H ATOM 12 HA MET A 1 0.935 1.097 0.673 1.00 14.32 H ATOM 13 HB2 MET A 1 3.294 0.098 1.363 1.00 22.22 H ATOM 14 HB3 MET A 1 3.947 1.558 0.602 1.00 32.53 H ATOM 15 HG2 MET A 1 2.780 3.021 2.256 1.00 43.11 H ATOM 16 HG3 MET A 1 1.766 1.668 2.778 1.00 21.05 H ATOM 17 HE1 MET A 1 4.184 3.813 3.988 1.00 44.12 H ATOM 18 HE2 MET A 1 4.886 2.956 5.406 1.00 14.41 H ATOM 19 HE3 MET A 1 5.736 2.945 3.833 1.00 10.25 H ATOM 20 N CYS A 2 1.312 3.508 -0.186 1.00 3.30 N ATOM 21 CA CYS A 2 1.264 4.769 -0.916 1.00 54.21 C ATOM 22 C CYS A 2 2.064 5.848 -0.192 1.00 51.11 C ATOM 23 O CYS A 2 1.514 6.818 0.331 1.00 25.32 O ATOM 24 CB CYS A 2 -0.186 5.225 -1.091 1.00 52.54 C ATOM 25 SG CYS A 2 -1.346 3.879 -1.492 1.00 11.12 S ATOM 26 H CYS A 2 0.936 3.465 0.719 1.00 42.40 H ATOM 27 HA CYS A 2 1.701 4.606 -1.889 1.00 53.44 H ATOM 28 HB2 CYS A 2 -0.524 5.687 -0.175 1.00 24.24 H ATOM 29 HB3 CYS A 2 -0.233 5.950 -1.891 1.00 75.41 H ATOM 30 N PRO A 3 3.394 5.677 -0.161 1.00 51.40 N ATOM 31 CA PRO A 3 4.299 6.626 0.495 1.00 53.23 C ATOM 32 C PRO A 3 4.388 7.953 -0.252 1.00 60.31 C ATOM 33 O PRO A 3 4.674 9.001 0.327 1.00 32.23 O ATOM 34 CB PRO A 3 5.649 5.905 0.468 1.00 52.43 C ATOM 35 CG PRO A 3 5.557 4.972 -0.690 1.00 11.03 C ATOM 36 CD PRO A 3 4.117 4.545 -0.764 1.00 51.21 C ATOM 37 HA PRO A 3 4.007 6.810 1.518 1.00 21.35 H ATOM 38 HB2 PRO A 3 6.442 6.627 0.332 1.00 23.05 H ATOM 39 HB3 PRO A 3 5.794 5.371 1.395 1.00 44.44 H ATOM 40 HG2 PRO A 3 5.844 5.482 -1.597 1.00 2.05 H ATOM 41 HG3 PRO A 3 6.193 4.116 -0.522 1.00 30.45 H ATOM 42 HD2 PRO A 3 3.819 4.401 -1.792 1.00 32.41 H ATOM 43 HD3 PRO A 3 3.961 3.641 -0.193 1.00 43.45 H ATOM 44 N PRO A 4 4.138 7.909 -1.569 1.00 52.31 N ATOM 45 CA PRO A 4 4.183 9.100 -2.423 1.00 61.11 C ATOM 46 C PRO A 4 3.035 10.062 -2.137 1.00 43.24 C ATOM 47 O PRO A 4 3.139 11.262 -2.395 1.00 11.31 O ATOM 48 CB PRO A 4 4.061 8.527 -3.837 1.00 60.13 C ATOM 49 CG PRO A 4 3.350 7.230 -3.660 1.00 63.43 C ATOM 50 CD PRO A 4 3.791 6.695 -2.326 1.00 30.31 C ATOM 51 HA PRO A 4 5.123 9.623 -2.325 1.00 10.22 H ATOM 52 HB2 PRO A 4 3.494 9.208 -4.457 1.00 21.24 H ATOM 53 HB3 PRO A 4 5.045 8.384 -4.258 1.00 30.53 H ATOM 54 HG2 PRO A 4 2.283 7.392 -3.666 1.00 22.25 H ATOM 55 HG3 PRO A 4 3.631 6.547 -4.449 1.00 24.04 H ATOM 56 HD2 PRO A 4 2.983 6.160 -1.848 1.00 43.12 H ATOM 57 HD3 PRO A 4 4.653 6.054 -2.442 1.00 50.41 H ATOM 58 N LEU A 5 1.942 9.529 -1.604 1.00 13.34 N ATOM 59 CA LEU A 5 0.773 10.342 -1.282 1.00 25.30 C ATOM 60 C LEU A 5 -0.353 9.478 -0.722 1.00 45.40 C ATOM 61 O LEU A 5 -0.838 8.563 -1.388 1.00 3.31 O ATOM 62 CB LEU A 5 0.289 11.088 -2.526 1.00 13.20 C ATOM 63 CG LEU A 5 0.300 10.294 -3.833 1.00 24.15 C ATOM 64 CD1 LEU A 5 -1.105 10.183 -4.402 1.00 73.13 C ATOM 65 CD2 LEU A 5 1.237 10.941 -4.842 1.00 3.31 C ATOM 66 H LEU A 5 1.918 8.567 -1.421 1.00 43.20 H ATOM 67 HA LEU A 5 1.067 11.061 -0.532 1.00 35.12 H ATOM 68 HB2 LEU A 5 -0.725 11.410 -2.344 1.00 50.31 H ATOM 69 HB3 LEU A 5 0.922 11.954 -2.658 1.00 55.44 H ATOM 70 HG LEU A 5 0.660 9.293 -3.635 1.00 12.40 H ATOM 71 HD11 LEU A 5 -1.136 9.387 -5.131 1.00 54.41 H ATOM 72 HD12 LEU A 5 -1.377 11.115 -4.875 1.00 3.20 H ATOM 73 HD13 LEU A 5 -1.801 9.969 -3.604 1.00 71.52 H ATOM 74 HD21 LEU A 5 1.943 11.574 -4.324 1.00 74.10 H ATOM 75 HD22 LEU A 5 0.662 11.536 -5.536 1.00 62.34 H ATOM 76 HD23 LEU A 5 1.771 10.173 -5.382 1.00 71.41 H ATOM 77 N CYS A 6 -0.766 9.777 0.505 1.00 24.12 N ATOM 78 CA CYS A 6 -1.836 9.030 1.155 1.00 2.22 C ATOM 79 C CYS A 6 -3.199 9.450 0.613 1.00 60.12 C ATOM 80 O CYS A 6 -3.998 10.066 1.319 1.00 61.14 O ATOM 81 CB CYS A 6 -1.789 9.245 2.669 1.00 20.23 C ATOM 82 SG CYS A 6 -2.857 8.112 3.614 1.00 35.42 S ATOM 83 H CYS A 6 -0.340 10.518 0.986 1.00 3.14 H ATOM 84 HA CYS A 6 -1.685 7.983 0.944 1.00 32.51 H ATOM 85 HB2 CYS A 6 -0.775 9.103 3.014 1.00 20.20 H ATOM 86 HB3 CYS A 6 -2.101 10.254 2.892 1.00 52.30 H ATOM 87 N LYS A 7 -3.458 9.112 -0.646 1.00 33.13 N ATOM 88 CA LYS A 7 -4.725 9.451 -1.284 1.00 45.12 C ATOM 89 C LYS A 7 -5.805 8.437 -0.923 1.00 61.32 C ATOM 90 O LYS A 7 -5.522 7.325 -0.477 1.00 62.41 O ATOM 91 CB LYS A 7 -4.553 9.511 -2.804 1.00 32.32 C ATOM 92 CG LYS A 7 -4.476 10.925 -3.352 1.00 63.02 C ATOM 93 CD LYS A 7 -3.450 11.758 -2.603 1.00 4.22 C ATOM 94 CE LYS A 7 -2.808 12.799 -3.508 1.00 61.51 C ATOM 95 NZ LYS A 7 -2.996 14.180 -2.986 1.00 14.32 N ATOM 96 H LYS A 7 -2.781 8.621 -1.158 1.00 12.02 H ATOM 97 HA LYS A 7 -5.027 10.424 -0.926 1.00 64.41 H ATOM 98 HB2 LYS A 7 -3.644 8.992 -3.072 1.00 54.41 H ATOM 99 HB3 LYS A 7 -5.392 9.012 -3.268 1.00 51.53 H ATOM 100 HG2 LYS A 7 -4.197 10.883 -4.395 1.00 31.44 H ATOM 101 HG3 LYS A 7 -5.446 11.392 -3.256 1.00 5.35 H ATOM 102 HD2 LYS A 7 -3.938 12.263 -1.783 1.00 1.41 H ATOM 103 HD3 LYS A 7 -2.680 11.104 -2.218 1.00 4.41 H ATOM 104 HE2 LYS A 7 -1.751 12.591 -3.580 1.00 53.33 H ATOM 105 HE3 LYS A 7 -3.256 12.729 -4.488 1.00 71.13 H ATOM 106 HZ1 LYS A 7 -3.934 14.540 -3.255 1.00 72.43 H ATOM 107 HZ2 LYS A 7 -2.269 14.812 -3.377 1.00 42.23 H ATOM 108 HZ3 LYS A 7 -2.920 14.184 -1.949 1.00 34.33 H ATOM 109 N PRO A 8 -7.073 8.826 -1.121 1.00 32.20 N ATOM 110 CA PRO A 8 -8.221 7.964 -0.825 1.00 31.35 C ATOM 111 C PRO A 8 -8.328 6.788 -1.790 1.00 40.30 C ATOM 112 O PRO A 8 -7.919 6.884 -2.947 1.00 51.11 O ATOM 113 CB PRO A 8 -9.420 8.901 -0.988 1.00 72.03 C ATOM 114 CG PRO A 8 -8.951 9.956 -1.929 1.00 45.22 C ATOM 115 CD PRO A 8 -7.484 10.137 -1.650 1.00 12.32 C ATOM 116 HA PRO A 8 -8.188 7.593 0.190 1.00 45.24 H ATOM 117 HB2 PRO A 8 -10.257 8.351 -1.396 1.00 10.13 H ATOM 118 HB3 PRO A 8 -9.689 9.318 -0.030 1.00 0.44 H ATOM 119 HG2 PRO A 8 -9.101 9.633 -2.948 1.00 51.20 H ATOM 120 HG3 PRO A 8 -9.484 10.877 -1.743 1.00 65.13 H ATOM 121 HD2 PRO A 8 -6.952 10.370 -2.560 1.00 73.35 H ATOM 122 HD3 PRO A 8 -7.333 10.913 -0.914 1.00 13.41 H ATOM 123 N SER A 9 -8.880 5.680 -1.307 1.00 55.01 N ATOM 124 CA SER A 9 -9.038 4.485 -2.127 1.00 60.50 C ATOM 125 C SER A 9 -7.679 3.918 -2.528 1.00 34.44 C ATOM 126 O SER A 9 -7.482 3.491 -3.666 1.00 54.50 O ATOM 127 CB SER A 9 -9.859 4.803 -3.378 1.00 34.22 C ATOM 128 OG SER A 9 -10.740 3.739 -3.694 1.00 61.42 O ATOM 129 H SER A 9 -9.187 5.666 -0.376 1.00 71.41 H ATOM 130 HA SER A 9 -9.564 3.747 -1.540 1.00 22.44 H ATOM 131 HB2 SER A 9 -10.441 5.696 -3.206 1.00 64.11 H ATOM 132 HB3 SER A 9 -9.192 4.962 -4.212 1.00 41.53 H ATOM 133 HG SER A 9 -11.483 4.077 -4.200 1.00 23.23 H ATOM 134 N CYS A 10 -6.744 3.916 -1.583 1.00 54.14 N ATOM 135 CA CYS A 10 -5.403 3.403 -1.835 1.00 73.24 C ATOM 136 C CYS A 10 -5.268 1.967 -1.338 1.00 32.52 C ATOM 137 O CYS A 10 -4.186 1.380 -1.384 1.00 12.20 O ATOM 138 CB CYS A 10 -4.359 4.290 -1.155 1.00 42.13 C ATOM 139 SG CYS A 10 -3.035 4.866 -2.267 1.00 32.23 S ATOM 140 H CYS A 10 -6.961 4.269 -0.694 1.00 54.35 H ATOM 141 HA CYS A 10 -5.237 3.418 -2.902 1.00 2.43 H ATOM 142 HB2 CYS A 10 -4.849 5.163 -0.750 1.00 1.34 H ATOM 143 HB3 CYS A 10 -3.896 3.737 -0.351 1.00 54.12 H ATOM 144 N THR A 11 -6.375 1.404 -0.862 1.00 0.32 N ATOM 145 CA THR A 11 -6.381 0.038 -0.355 1.00 20.01 C ATOM 146 C THR A 11 -5.544 -0.081 0.914 1.00 75.41 C ATOM 147 O THR A 11 -5.248 -1.184 1.372 1.00 73.23 O ATOM 148 CB THR A 11 -5.845 -0.953 -1.405 1.00 23.20 C ATOM 149 OG1 THR A 11 -6.336 -0.604 -2.704 1.00 31.41 O ATOM 150 CG2 THR A 11 -6.259 -2.377 -1.066 1.00 62.21 C ATOM 151 H THR A 11 -7.207 1.923 -0.851 1.00 65.34 H ATOM 152 HA THR A 11 -7.403 -0.229 -0.127 1.00 41.14 H ATOM 153 HB THR A 11 -4.765 -0.899 -1.410 1.00 73.43 H ATOM 154 HG1 THR A 11 -6.233 -1.353 -3.297 1.00 0.32 H ATOM 155 HG21 THR A 11 -6.997 -2.359 -0.279 1.00 31.23 H ATOM 156 HG22 THR A 11 -5.395 -2.935 -0.736 1.00 44.31 H ATOM 157 HG23 THR A 11 -6.678 -2.848 -1.943 1.00 32.34 H ATOM 158 N ASN A 12 -5.167 1.061 1.478 1.00 40.30 N ATOM 159 CA ASN A 12 -4.364 1.084 2.695 1.00 10.12 C ATOM 160 C ASN A 12 -4.087 2.518 3.137 1.00 25.20 C ATOM 161 O ASN A 12 -3.021 2.818 3.677 1.00 72.41 O ATOM 162 CB ASN A 12 -3.044 0.342 2.474 1.00 13.14 C ATOM 163 CG ASN A 12 -2.453 0.609 1.104 1.00 73.04 C ATOM 164 OD1 ASN A 12 -1.944 1.698 0.836 1.00 73.50 O ATOM 165 ND2 ASN A 12 -2.519 -0.387 0.227 1.00 3.42 N ATOM 166 H ASN A 12 -5.434 1.909 1.066 1.00 53.40 H ATOM 167 HA ASN A 12 -4.923 0.583 3.471 1.00 73.45 H ATOM 168 HB2 ASN A 12 -2.331 0.660 3.221 1.00 64.23 H ATOM 169 HB3 ASN A 12 -3.214 -0.719 2.573 1.00 22.52 H ATOM 170 HD21 ASN A 12 -2.939 -1.226 0.510 1.00 3.10 H ATOM 171 HD22 ASN A 12 -2.144 -0.241 -0.666 1.00 63.44 H ATOM 172 N CYS A 13 -5.053 3.400 2.905 1.00 44.13 N ATOM 173 CA CYS A 13 -4.914 4.803 3.278 1.00 30.51 C ATOM 174 C CYS A 13 -6.279 5.480 3.362 1.00 4.44 C ATOM 175 O CYS A 13 -6.593 6.177 4.314 1.00 24.14 O ATOM 176 CB CYS A 13 -4.030 5.536 2.268 1.00 65.00 C ATOM 177 SG CYS A 13 -2.513 6.246 2.985 1.00 12.34 S ATOM 178 H CYS A 13 -5.880 3.101 2.471 1.00 62.23 H ATOM 179 HA CYS A 13 -4.445 4.843 4.250 1.00 74.44 H ATOM 180 HB2 CYS A 13 -3.732 4.845 1.493 1.00 75.34 H ATOM 181 HB3 CYS A 13 -4.594 6.343 1.826 1.00 53.40 H HETATM 182 N NH2 A 14 -7.116 5.264 2.324 1.00 14.54 N HETATM 183 HN1 NH2 A 14 -8.026 5.686 2.327 1.00 30.55 H HETATM 184 HN2 NH2 A 14 -6.841 4.690 1.553 1.00 11.51 H TER 185 NH2 A 14 ENDMDL MODEL 13 ATOM 1 N MET A 1 1.121 0.046 0.084 1.00 3.13 N ATOM 2 CA MET A 1 1.666 1.239 0.774 1.00 12.40 C ATOM 3 C MET A 1 1.653 2.438 -0.153 1.00 22.31 C ATOM 4 O MET A 1 2.149 2.303 -1.272 1.00 74.51 O ATOM 5 CB MET A 1 3.097 1.007 1.347 1.00 62.14 C ATOM 6 CG MET A 1 3.379 1.754 2.684 1.00 5.14 C ATOM 7 SD MET A 1 2.737 0.840 4.137 1.00 34.00 S ATOM 8 CE MET A 1 4.139 -0.136 4.770 1.00 10.32 C ATOM 9 H1 MET A 1 0.266 0.314 -0.522 1.00 14.14 H ATOM 10 H2 MET A 1 1.846 -0.359 -0.605 1.00 53.53 H ATOM 11 H3 MET A 1 0.857 -0.685 0.794 1.00 12.52 H ATOM 12 HA MET A 1 0.999 1.474 1.623 1.00 0.23 H ATOM 13 HB2 MET A 1 3.228 -0.076 1.511 1.00 40.30 H ATOM 14 HB3 MET A 1 3.835 1.308 0.587 1.00 74.42 H ATOM 15 HG2 MET A 1 4.439 2.025 2.795 1.00 61.15 H ATOM 16 HG3 MET A 1 2.803 2.694 2.696 1.00 23.45 H ATOM 17 HE1 MET A 1 3.762 -1.019 5.305 1.00 61.02 H ATOM 18 HE2 MET A 1 4.814 -0.450 3.961 1.00 61.34 H ATOM 19 HE3 MET A 1 4.706 0.485 5.480 1.00 14.41 H ATOM 20 N CYS A 2 1.114 3.578 0.266 1.00 24.22 N ATOM 21 CA CYS A 2 1.073 4.762 -0.583 1.00 53.11 C ATOM 22 C CYS A 2 1.872 5.905 0.037 1.00 31.41 C ATOM 23 O CYS A 2 1.323 6.924 0.455 1.00 12.13 O ATOM 24 CB CYS A 2 -0.375 5.202 -0.810 1.00 10.03 C ATOM 25 SG CYS A 2 -1.537 3.825 -1.082 1.00 4.33 S ATOM 26 H CYS A 2 0.735 3.624 1.170 1.00 51.15 H ATOM 27 HA CYS A 2 1.514 4.505 -1.534 1.00 25.34 H ATOM 28 HB2 CYS A 2 -0.716 5.752 0.056 1.00 64.03 H ATOM 29 HB3 CYS A 2 -0.417 5.844 -1.677 1.00 5.21 H ATOM 30 N PRO A 3 3.201 5.732 0.098 1.00 33.13 N ATOM 31 CA PRO A 3 4.104 6.738 0.665 1.00 63.34 C ATOM 32 C PRO A 3 4.208 7.982 -0.210 1.00 52.33 C ATOM 33 O PRO A 3 4.493 9.082 0.264 1.00 10.02 O ATOM 34 CB PRO A 3 5.451 6.012 0.723 1.00 32.13 C ATOM 35 CG PRO A 3 5.365 4.968 -0.336 1.00 33.33 C ATOM 36 CD PRO A 3 3.923 4.542 -0.381 1.00 63.22 C ATOM 37 HA PRO A 3 3.804 7.024 1.662 1.00 41.10 H ATOM 38 HB2 PRO A 3 6.249 6.713 0.524 1.00 23.23 H ATOM 39 HB3 PRO A 3 5.585 5.573 1.700 1.00 32.34 H ATOM 40 HG2 PRO A 3 5.663 5.383 -1.286 1.00 42.01 H ATOM 41 HG3 PRO A 3 5.995 4.130 -0.076 1.00 74.44 H ATOM 42 HD2 PRO A 3 3.634 4.296 -1.392 1.00 40.43 H ATOM 43 HD3 PRO A 3 3.757 3.700 0.275 1.00 5.54 H ATOM 44 N PRO A 4 3.971 7.808 -1.519 1.00 14.11 N ATOM 45 CA PRO A 4 4.030 8.907 -2.487 1.00 64.03 C ATOM 46 C PRO A 4 2.885 9.898 -2.311 1.00 74.45 C ATOM 47 O PRO A 4 2.999 11.067 -2.682 1.00 32.22 O ATOM 48 CB PRO A 4 3.920 8.196 -3.838 1.00 73.42 C ATOM 49 CG PRO A 4 3.201 6.925 -3.540 1.00 13.53 C ATOM 50 CD PRO A 4 3.625 6.525 -2.154 1.00 3.22 C ATOM 51 HA PRO A 4 4.972 9.434 -2.432 1.00 72.31 H ATOM 52 HB2 PRO A 4 3.362 8.813 -4.528 1.00 44.35 H ATOM 53 HB3 PRO A 4 4.907 8.007 -4.232 1.00 21.12 H ATOM 54 HG2 PRO A 4 2.135 7.091 -3.572 1.00 74.53 H ATOM 55 HG3 PRO A 4 3.486 6.166 -4.253 1.00 3.24 H ATOM 56 HD2 PRO A 4 2.810 6.044 -1.633 1.00 42.45 H ATOM 57 HD3 PRO A 4 4.485 5.873 -2.196 1.00 43.02 H ATOM 58 N LEU A 5 1.781 9.424 -1.744 1.00 71.32 N ATOM 59 CA LEU A 5 0.613 10.269 -1.518 1.00 62.44 C ATOM 60 C LEU A 5 -0.524 9.469 -0.891 1.00 11.23 C ATOM 61 O LEU A 5 -1.022 8.510 -1.480 1.00 73.23 O ATOM 62 CB LEU A 5 0.148 10.891 -2.836 1.00 14.53 C ATOM 63 CG LEU A 5 0.201 9.982 -4.064 1.00 44.50 C ATOM 64 CD1 LEU A 5 -1.188 9.800 -4.655 1.00 12.44 C ATOM 65 CD2 LEU A 5 1.156 10.549 -5.105 1.00 75.14 C ATOM 66 H LEU A 5 1.749 8.484 -1.470 1.00 63.32 H ATOM 67 HA LEU A 5 0.901 11.057 -0.839 1.00 22.32 H ATOM 68 HB2 LEU A 5 -0.875 11.212 -2.706 1.00 44.25 H ATOM 69 HB3 LEU A 5 0.771 11.752 -3.032 1.00 41.21 H ATOM 70 HG LEU A 5 0.568 9.009 -3.768 1.00 13.01 H ATOM 71 HD11 LEU A 5 -1.879 9.528 -3.872 1.00 32.15 H ATOM 72 HD12 LEU A 5 -1.163 9.020 -5.400 1.00 62.34 H ATOM 73 HD13 LEU A 5 -1.508 10.725 -5.113 1.00 34.13 H ATOM 74 HD21 LEU A 5 1.823 11.256 -4.635 1.00 53.04 H ATOM 75 HD22 LEU A 5 0.589 11.047 -5.879 1.00 22.33 H ATOM 76 HD23 LEU A 5 1.731 9.745 -5.542 1.00 33.04 H ATOM 77 N CYS A 6 -0.932 9.872 0.308 1.00 11.01 N ATOM 78 CA CYS A 6 -2.012 9.195 1.016 1.00 0.42 C ATOM 79 C CYS A 6 -3.370 9.586 0.439 1.00 5.00 C ATOM 80 O CYS A 6 -4.210 10.159 1.133 1.00 73.35 O ATOM 81 CB CYS A 6 -1.963 9.534 2.507 1.00 20.14 C ATOM 82 SG CYS A 6 -2.575 8.205 3.592 1.00 33.41 S ATOM 83 H CYS A 6 -0.496 10.644 0.728 1.00 63.13 H ATOM 84 HA CYS A 6 -1.875 8.132 0.893 1.00 62.13 H ATOM 85 HB2 CYS A 6 -0.940 9.741 2.788 1.00 15.02 H ATOM 86 HB3 CYS A 6 -2.565 10.411 2.690 1.00 55.45 H ATOM 87 N LYS A 7 -3.577 9.272 -0.835 1.00 42.13 N ATOM 88 CA LYS A 7 -4.832 9.588 -1.507 1.00 63.12 C ATOM 89 C LYS A 7 -5.965 8.713 -0.982 1.00 14.14 C ATOM 90 O LYS A 7 -5.743 7.653 -0.396 1.00 14.21 O ATOM 91 CB LYS A 7 -4.686 9.399 -3.019 1.00 33.21 C ATOM 92 CG LYS A 7 -4.537 10.703 -3.783 1.00 64.34 C ATOM 93 CD LYS A 7 -3.419 11.559 -3.212 1.00 65.34 C ATOM 94 CE LYS A 7 -3.965 12.787 -2.501 1.00 2.01 C ATOM 95 NZ LYS A 7 -4.238 13.902 -3.450 1.00 32.23 N ATOM 96 H LYS A 7 -2.868 8.816 -1.336 1.00 70.34 H ATOM 97 HA LYS A 7 -5.066 10.622 -1.303 1.00 74.52 H ATOM 98 HB2 LYS A 7 -3.815 8.791 -3.211 1.00 63.43 H ATOM 99 HB3 LYS A 7 -5.562 8.886 -3.391 1.00 44.12 H ATOM 100 HG2 LYS A 7 -4.313 10.480 -4.816 1.00 54.53 H ATOM 101 HG3 LYS A 7 -5.465 11.253 -3.724 1.00 71.30 H ATOM 102 HD2 LYS A 7 -2.851 10.971 -2.506 1.00 71.44 H ATOM 103 HD3 LYS A 7 -2.773 11.878 -4.019 1.00 33.51 H ATOM 104 HE2 LYS A 7 -4.882 12.519 -2.000 1.00 74.34 H ATOM 105 HE3 LYS A 7 -3.240 13.116 -1.771 1.00 42.12 H ATOM 106 HZ1 LYS A 7 -4.980 13.624 -4.124 1.00 24.03 H ATOM 107 HZ2 LYS A 7 -3.375 14.140 -3.979 1.00 21.02 H ATOM 108 HZ3 LYS A 7 -4.555 14.744 -2.929 1.00 54.23 H ATOM 109 N PRO A 8 -7.210 9.164 -1.196 1.00 12.43 N ATOM 110 CA PRO A 8 -8.403 8.437 -0.753 1.00 32.41 C ATOM 111 C PRO A 8 -8.627 7.153 -1.546 1.00 1.33 C ATOM 112 O PRO A 8 -8.665 7.171 -2.776 1.00 14.31 O ATOM 113 CB PRO A 8 -9.540 9.429 -1.010 1.00 21.11 C ATOM 114 CG PRO A 8 -9.034 10.311 -2.099 1.00 22.04 C ATOM 115 CD PRO A 8 -7.549 10.420 -1.887 1.00 31.31 C ATOM 116 HA PRO A 8 -8.358 8.204 0.301 1.00 25.10 H ATOM 117 HB2 PRO A 8 -10.427 8.892 -1.315 1.00 53.43 H ATOM 118 HB3 PRO A 8 -9.743 9.990 -0.110 1.00 73.21 H ATOM 119 HG2 PRO A 8 -9.244 9.866 -3.059 1.00 52.32 H ATOM 120 HG3 PRO A 8 -9.495 11.285 -2.025 1.00 44.04 H ATOM 121 HD2 PRO A 8 -7.037 10.488 -2.835 1.00 43.21 H ATOM 122 HD3 PRO A 8 -7.318 11.274 -1.268 1.00 44.23 H ATOM 123 N SER A 9 -8.774 6.041 -0.833 1.00 72.01 N ATOM 124 CA SER A 9 -8.991 4.748 -1.471 1.00 21.31 C ATOM 125 C SER A 9 -7.784 4.350 -2.315 1.00 73.55 C ATOM 126 O SER A 9 -7.911 4.072 -3.508 1.00 70.44 O ATOM 127 CB SER A 9 -10.247 4.790 -2.343 1.00 61.44 C ATOM 128 OG SER A 9 -10.758 3.487 -2.564 1.00 72.43 O ATOM 129 H SER A 9 -8.734 6.091 0.145 1.00 4.40 H ATOM 130 HA SER A 9 -9.128 4.013 -0.692 1.00 35.21 H ATOM 131 HB2 SER A 9 -11.004 5.382 -1.852 1.00 62.31 H ATOM 132 HB3 SER A 9 -10.004 5.235 -3.297 1.00 53.05 H ATOM 133 HG SER A 9 -10.062 2.924 -2.910 1.00 23.50 H ATOM 134 N CYS A 10 -6.613 4.324 -1.688 1.00 13.30 N ATOM 135 CA CYS A 10 -5.382 3.961 -2.379 1.00 52.24 C ATOM 136 C CYS A 10 -4.949 2.545 -2.011 1.00 2.22 C ATOM 137 O CYS A 10 -3.819 2.138 -2.284 1.00 51.12 O ATOM 138 CB CYS A 10 -4.269 4.953 -2.037 1.00 24.33 C ATOM 139 SG CYS A 10 -3.414 4.598 -0.468 1.00 21.34 S ATOM 140 H CYS A 10 -6.576 4.556 -0.736 1.00 3.15 H ATOM 141 HA CYS A 10 -5.574 4.001 -3.441 1.00 24.11 H ATOM 142 HB2 CYS A 10 -3.529 4.937 -2.824 1.00 4.13 H ATOM 143 HB3 CYS A 10 -4.690 5.945 -1.965 1.00 64.43 H ATOM 144 N THR A 11 -5.855 1.798 -1.388 1.00 71.12 N ATOM 145 CA THR A 11 -5.567 0.428 -0.981 1.00 54.41 C ATOM 146 C THR A 11 -4.558 0.395 0.160 1.00 23.33 C ATOM 147 O THR A 11 -4.034 -0.663 0.507 1.00 62.01 O ATOM 148 CB THR A 11 -5.024 -0.405 -2.157 1.00 42.21 C ATOM 149 OG1 THR A 11 -5.740 -0.086 -3.356 1.00 23.14 O ATOM 150 CG2 THR A 11 -5.146 -1.893 -1.868 1.00 31.31 C ATOM 151 H THR A 11 -6.738 2.179 -1.198 1.00 62.41 H ATOM 152 HA THR A 11 -6.491 -0.021 -0.646 1.00 1.25 H ATOM 153 HB THR A 11 -3.979 -0.165 -2.296 1.00 53.30 H ATOM 154 HG1 THR A 11 -5.120 0.195 -4.034 1.00 32.35 H ATOM 155 HG21 THR A 11 -5.576 -2.392 -2.724 1.00 1.53 H ATOM 156 HG22 THR A 11 -5.782 -2.042 -1.008 1.00 54.11 H ATOM 157 HG23 THR A 11 -4.167 -2.302 -1.667 1.00 32.42 H ATOM 158 N ASN A 12 -4.290 1.559 0.742 1.00 44.53 N ATOM 159 CA ASN A 12 -3.342 1.663 1.845 1.00 22.43 C ATOM 160 C ASN A 12 -3.471 3.010 2.549 1.00 32.03 C ATOM 161 O ASN A 12 -2.509 3.515 3.129 1.00 33.34 O ATOM 162 CB ASN A 12 -1.911 1.476 1.336 1.00 53.24 C ATOM 163 CG ASN A 12 -1.189 0.344 2.040 1.00 34.22 C ATOM 164 OD1 ASN A 12 -0.536 0.551 3.063 1.00 32.51 O ATOM 165 ND2 ASN A 12 -1.304 -0.861 1.494 1.00 32.22 N ATOM 166 H ASN A 12 -4.739 2.369 0.421 1.00 73.01 H ATOM 167 HA ASN A 12 -3.568 0.878 2.551 1.00 72.41 H ATOM 168 HB2 ASN A 12 -1.938 1.257 0.278 1.00 32.00 H ATOM 169 HB3 ASN A 12 -1.356 2.388 1.496 1.00 12.11 H ATOM 170 HD21 ASN A 12 -1.841 -0.951 0.679 1.00 63.32 H ATOM 171 HD22 ASN A 12 -0.848 -1.611 1.930 1.00 73.54 H ATOM 172 N CYS A 13 -4.667 3.587 2.495 1.00 43.42 N ATOM 173 CA CYS A 13 -4.924 4.876 3.127 1.00 63.14 C ATOM 174 C CYS A 13 -6.420 5.088 3.340 1.00 44.41 C ATOM 175 O CYS A 13 -7.057 5.887 2.672 1.00 72.53 O ATOM 176 CB CYS A 13 -4.353 6.009 2.272 1.00 52.41 C ATOM 177 SG CYS A 13 -4.405 7.644 3.074 1.00 15.11 S ATOM 178 H CYS A 13 -5.395 3.136 2.017 1.00 22.12 H ATOM 179 HA CYS A 13 -4.432 4.879 4.087 1.00 23.53 H ATOM 180 HB2 CYS A 13 -3.321 5.791 2.041 1.00 63.24 H ATOM 181 HB3 CYS A 13 -4.916 6.075 1.353 1.00 53.42 H HETATM 182 N NH2 A 14 -6.995 4.343 4.309 1.00 11.43 N HETATM 183 HN1 NH2 A 14 -7.976 4.442 4.492 1.00 4.43 H HETATM 184 HN2 NH2 A 14 -6.456 3.695 4.846 1.00 31.54 H TER 185 NH2 A 14 ENDMDL MODEL 14 ATOM 1 N MET A 1 2.370 -0.092 -0.220 1.00 2.43 N ATOM 2 CA MET A 1 1.662 1.010 0.473 1.00 13.31 C ATOM 3 C MET A 1 1.628 2.249 -0.399 1.00 65.31 C ATOM 4 O MET A 1 2.092 2.162 -1.537 1.00 32.13 O ATOM 5 CB MET A 1 2.275 1.341 1.868 1.00 14.10 C ATOM 6 CG MET A 1 3.814 1.580 1.849 1.00 2.40 C ATOM 7 SD MET A 1 4.633 0.943 3.360 1.00 73.11 S ATOM 8 CE MET A 1 3.945 1.909 4.743 1.00 53.22 C ATOM 9 H1 MET A 1 2.770 0.249 -1.166 1.00 72.33 H ATOM 10 H2 MET A 1 3.225 -0.414 0.353 1.00 5.04 H ATOM 11 H3 MET A 1 1.713 -0.900 -0.366 1.00 35.11 H ATOM 12 HA MET A 1 0.615 0.693 0.633 1.00 4.33 H ATOM 13 HB2 MET A 1 1.780 2.249 2.252 1.00 33.55 H ATOM 14 HB3 MET A 1 2.031 0.524 2.564 1.00 62.54 H ATOM 15 HG2 MET A 1 4.283 1.205 0.928 1.00 15.11 H ATOM 16 HG3 MET A 1 4.007 2.665 1.890 1.00 30.35 H ATOM 17 HE1 MET A 1 2.863 1.730 4.816 1.00 72.14 H ATOM 18 HE2 MET A 1 4.429 1.655 5.697 1.00 4.42 H ATOM 19 HE3 MET A 1 4.107 2.978 4.538 1.00 5.12 H ATOM 20 N CYS A 2 1.107 3.371 0.085 1.00 33.21 N ATOM 21 CA CYS A 2 1.046 4.592 -0.709 1.00 65.32 C ATOM 22 C CYS A 2 1.860 5.706 -0.057 1.00 34.05 C ATOM 23 O CYS A 2 1.322 6.713 0.403 1.00 13.52 O ATOM 24 CB CYS A 2 -0.406 5.040 -0.884 1.00 2.32 C ATOM 25 SG CYS A 2 -1.584 3.671 -1.119 1.00 21.13 S ATOM 26 H CYS A 2 0.753 3.378 1.000 1.00 52.10 H ATOM 27 HA CYS A 2 1.467 4.377 -1.680 1.00 0.41 H ATOM 28 HB2 CYS A 2 -0.713 5.590 -0.006 1.00 23.44 H ATOM 29 HB3 CYS A 2 -0.474 5.685 -1.747 1.00 40.23 H ATOM 30 N PRO A 3 3.188 5.522 -0.015 1.00 14.45 N ATOM 31 CA PRO A 3 4.104 6.501 0.578 1.00 13.25 C ATOM 32 C PRO A 3 4.208 7.776 -0.252 1.00 75.44 C ATOM 33 O PRO A 3 4.506 8.856 0.258 1.00 71.50 O ATOM 34 CB PRO A 3 5.445 5.765 0.598 1.00 25.20 C ATOM 35 CG PRO A 3 5.342 4.760 -0.497 1.00 30.33 C ATOM 36 CD PRO A 3 3.897 4.345 -0.543 1.00 42.43 C ATOM 37 HA PRO A 3 3.815 6.754 1.588 1.00 30.23 H ATOM 38 HB2 PRO A 3 6.247 6.467 0.416 1.00 0.04 H ATOM 39 HB3 PRO A 3 5.586 5.290 1.557 1.00 12.15 H ATOM 40 HG2 PRO A 3 5.634 5.207 -1.435 1.00 23.24 H ATOM 41 HG3 PRO A 3 5.968 3.909 -0.274 1.00 25.34 H ATOM 42 HD2 PRO A 3 3.597 4.138 -1.560 1.00 14.24 H ATOM 43 HD3 PRO A 3 3.732 3.482 0.085 1.00 52.25 H ATOM 44 N PRO A 4 3.956 7.650 -1.564 1.00 15.12 N ATOM 45 CA PRO A 4 4.014 8.783 -2.493 1.00 34.50 C ATOM 46 C PRO A 4 2.877 9.774 -2.270 1.00 2.54 C ATOM 47 O PRO A 4 2.996 10.955 -2.599 1.00 44.41 O ATOM 48 CB PRO A 4 3.883 8.121 -3.867 1.00 65.21 C ATOM 49 CG PRO A 4 3.158 6.846 -3.607 1.00 0.04 C ATOM 50 CD PRO A 4 3.594 6.393 -2.241 1.00 11.35 C ATOM 51 HA PRO A 4 4.960 9.300 -2.429 1.00 15.21 H ATOM 52 HB2 PRO A 4 3.324 8.767 -4.529 1.00 32.21 H ATOM 53 HB3 PRO A 4 4.865 7.939 -4.278 1.00 3.33 H ATOM 54 HG2 PRO A 4 2.093 7.020 -3.622 1.00 31.20 H ATOM 55 HG3 PRO A 4 3.430 6.111 -4.349 1.00 65.32 H ATOM 56 HD2 PRO A 4 2.781 5.900 -1.729 1.00 54.11 H ATOM 57 HD3 PRO A 4 4.448 5.737 -2.315 1.00 64.13 H ATOM 58 N LEU A 5 1.776 9.288 -1.708 1.00 52.40 N ATOM 59 CA LEU A 5 0.617 10.133 -1.440 1.00 0.11 C ATOM 60 C LEU A 5 -0.522 9.319 -0.835 1.00 30.23 C ATOM 61 O LEU A 5 -1.024 8.379 -1.452 1.00 61.01 O ATOM 62 CB LEU A 5 0.146 10.811 -2.728 1.00 3.02 C ATOM 63 CG LEU A 5 0.185 9.951 -3.992 1.00 15.04 C ATOM 64 CD1 LEU A 5 -1.212 9.793 -4.572 1.00 51.44 C ATOM 65 CD2 LEU A 5 1.127 10.557 -5.021 1.00 50.50 C ATOM 66 H LEU A 5 1.740 8.340 -1.468 1.00 31.54 H ATOM 67 HA LEU A 5 0.917 10.892 -0.732 1.00 72.42 H ATOM 68 HB2 LEU A 5 -0.873 11.133 -2.578 1.00 44.53 H ATOM 69 HB3 LEU A 5 0.775 11.674 -2.895 1.00 14.53 H ATOM 70 HG LEU A 5 0.553 8.966 -3.738 1.00 42.54 H ATOM 71 HD11 LEU A 5 -1.531 10.731 -5.002 1.00 71.21 H ATOM 72 HD12 LEU A 5 -1.897 9.505 -3.789 1.00 72.30 H ATOM 73 HD13 LEU A 5 -1.200 9.031 -5.338 1.00 5.31 H ATOM 74 HD21 LEU A 5 0.553 11.091 -5.764 1.00 2.10 H ATOM 75 HD22 LEU A 5 1.692 9.771 -5.499 1.00 30.44 H ATOM 76 HD23 LEU A 5 1.805 11.240 -4.530 1.00 2.31 H ATOM 77 N CYS A 6 -0.927 9.687 0.376 1.00 32.11 N ATOM 78 CA CYS A 6 -2.008 8.993 1.065 1.00 33.40 C ATOM 79 C CYS A 6 -3.366 9.408 0.505 1.00 4.31 C ATOM 80 O CYS A 6 -4.209 9.945 1.224 1.00 4.30 O ATOM 81 CB CYS A 6 -1.953 9.282 2.566 1.00 13.23 C ATOM 82 SG CYS A 6 -2.583 7.927 3.608 1.00 11.25 S ATOM 83 H CYS A 6 -0.488 10.445 0.818 1.00 60.51 H ATOM 84 HA CYS A 6 -1.877 7.933 0.907 1.00 44.24 H ATOM 85 HB2 CYS A 6 -0.928 9.466 2.852 1.00 22.03 H ATOM 86 HB3 CYS A 6 -2.544 10.162 2.777 1.00 25.45 H ATOM 87 N LYS A 7 -3.570 9.156 -0.783 1.00 72.03 N ATOM 88 CA LYS A 7 -4.825 9.502 -1.441 1.00 64.53 C ATOM 89 C LYS A 7 -5.961 8.612 -0.948 1.00 30.30 C ATOM 90 O LYS A 7 -5.742 7.529 -0.405 1.00 34.34 O ATOM 91 CB LYS A 7 -4.681 9.369 -2.959 1.00 54.42 C ATOM 92 CG LYS A 7 -4.527 10.701 -3.674 1.00 32.22 C ATOM 93 CD LYS A 7 -3.411 11.534 -3.066 1.00 14.01 C ATOM 94 CE LYS A 7 -3.960 12.741 -2.320 1.00 21.54 C ATOM 95 NZ LYS A 7 -3.047 13.913 -2.413 1.00 64.02 N ATOM 96 H LYS A 7 -2.860 8.726 -1.305 1.00 22.54 H ATOM 97 HA LYS A 7 -5.055 10.528 -1.198 1.00 33.40 H ATOM 98 HB2 LYS A 7 -3.812 8.766 -3.176 1.00 34.44 H ATOM 99 HB3 LYS A 7 -5.559 8.875 -3.350 1.00 31.32 H ATOM 100 HG2 LYS A 7 -4.299 10.517 -4.713 1.00 51.12 H ATOM 101 HG3 LYS A 7 -5.456 11.249 -3.598 1.00 43.04 H ATOM 102 HD2 LYS A 7 -2.852 10.922 -2.375 1.00 22.54 H ATOM 103 HD3 LYS A 7 -2.758 11.877 -3.856 1.00 73.31 H ATOM 104 HE2 LYS A 7 -4.916 13.005 -2.744 1.00 13.44 H ATOM 105 HE3 LYS A 7 -4.088 12.477 -1.280 1.00 62.51 H ATOM 106 HZ1 LYS A 7 -2.057 13.601 -2.350 1.00 4.15 H ATOM 107 HZ2 LYS A 7 -3.240 14.579 -1.638 1.00 21.11 H ATOM 108 HZ3 LYS A 7 -3.187 14.404 -3.319 1.00 62.32 H ATOM 109 N PRO A 8 -7.204 9.076 -1.142 1.00 13.12 N ATOM 110 CA PRO A 8 -8.400 8.336 -0.725 1.00 45.44 C ATOM 111 C PRO A 8 -8.630 7.086 -1.567 1.00 51.13 C ATOM 112 O PRO A 8 -8.648 7.149 -2.796 1.00 61.55 O ATOM 113 CB PRO A 8 -9.533 9.343 -0.941 1.00 65.22 C ATOM 114 CG PRO A 8 -9.025 10.265 -1.996 1.00 23.44 C ATOM 115 CD PRO A 8 -7.539 10.359 -1.783 1.00 31.22 C ATOM 116 HA PRO A 8 -8.353 8.063 0.319 1.00 61.45 H ATOM 117 HB2 PRO A 8 -10.423 8.822 -1.265 1.00 43.35 H ATOM 118 HB3 PRO A 8 -9.732 9.869 -0.020 1.00 20.12 H ATOM 119 HG2 PRO A 8 -9.239 9.859 -2.972 1.00 63.45 H ATOM 120 HG3 PRO A 8 -9.481 11.237 -1.883 1.00 73.15 H ATOM 121 HD2 PRO A 8 -7.028 10.462 -2.729 1.00 13.24 H ATOM 122 HD3 PRO A 8 -7.303 11.188 -1.132 1.00 20.43 H ATOM 123 N SER A 9 -8.807 5.952 -0.898 1.00 24.44 N ATOM 124 CA SER A 9 -9.033 4.686 -1.585 1.00 22.41 C ATOM 125 C SER A 9 -7.816 4.295 -2.419 1.00 32.05 C ATOM 126 O SER A 9 -7.927 4.038 -3.618 1.00 31.03 O ATOM 127 CB SER A 9 -10.270 4.781 -2.480 1.00 45.14 C ATOM 128 OG SER A 9 -11.348 5.397 -1.797 1.00 64.22 O ATOM 129 H SER A 9 -8.781 5.966 0.082 1.00 14.43 H ATOM 130 HA SER A 9 -9.200 3.927 -0.835 1.00 65.41 H ATOM 131 HB2 SER A 9 -10.033 5.366 -3.356 1.00 3.43 H ATOM 132 HB3 SER A 9 -10.570 3.788 -2.782 1.00 22.23 H ATOM 133 HG SER A 9 -11.714 4.782 -1.157 1.00 1.40 H ATOM 134 N CYS A 10 -6.655 4.253 -1.775 1.00 24.44 N ATOM 135 CA CYS A 10 -5.416 3.894 -2.454 1.00 44.22 C ATOM 136 C CYS A 10 -5.004 2.464 -2.117 1.00 32.02 C ATOM 137 O CYS A 10 -3.876 2.050 -2.386 1.00 50.01 O ATOM 138 CB CYS A 10 -4.297 4.863 -2.065 1.00 55.44 C ATOM 139 SG CYS A 10 -3.459 4.444 -0.503 1.00 74.43 S ATOM 140 H CYS A 10 -6.630 4.468 -0.818 1.00 23.01 H ATOM 141 HA CYS A 10 -5.588 3.965 -3.517 1.00 62.24 H ATOM 142 HB2 CYS A 10 -3.551 4.871 -2.846 1.00 43.01 H ATOM 143 HB3 CYS A 10 -4.711 5.855 -1.961 1.00 14.32 H ATOM 144 N THR A 11 -5.928 1.712 -1.525 1.00 44.25 N ATOM 145 CA THR A 11 -5.662 0.329 -1.150 1.00 41.23 C ATOM 146 C THR A 11 -4.683 0.254 0.016 1.00 12.30 C ATOM 147 O THR A 11 -4.182 -0.818 0.350 1.00 34.52 O ATOM 148 CB THR A 11 -5.094 -0.475 -2.335 1.00 2.02 C ATOM 149 OG1 THR A 11 -5.774 -0.116 -3.542 1.00 54.53 O ATOM 150 CG2 THR A 11 -5.236 -1.970 -2.092 1.00 54.10 C ATOM 151 H THR A 11 -6.808 2.099 -1.337 1.00 31.21 H ATOM 152 HA THR A 11 -6.598 -0.121 -0.852 1.00 64.22 H ATOM 153 HB THR A 11 -4.044 -0.241 -2.439 1.00 1.42 H ATOM 154 HG1 THR A 11 -6.669 0.166 -3.334 1.00 64.12 H ATOM 155 HG21 THR A 11 -5.659 -2.438 -2.968 1.00 54.42 H ATOM 156 HG22 THR A 11 -5.887 -2.137 -1.246 1.00 44.10 H ATOM 157 HG23 THR A 11 -4.265 -2.396 -1.890 1.00 11.14 H ATOM 158 N ASN A 12 -4.416 1.401 0.632 1.00 25.05 N ATOM 159 CA ASN A 12 -3.496 1.465 1.763 1.00 70.43 C ATOM 160 C ASN A 12 -3.615 2.803 2.486 1.00 63.31 C ATOM 161 O ASN A 12 -2.657 3.278 3.097 1.00 32.44 O ATOM 162 CB ASN A 12 -2.057 1.254 1.288 1.00 4.44 C ATOM 163 CG ASN A 12 -1.372 0.109 2.008 1.00 31.34 C ATOM 164 OD1 ASN A 12 -1.518 -1.053 1.628 1.00 25.34 O ATOM 165 ND2 ASN A 12 -0.621 0.432 3.054 1.00 3.15 N ATOM 166 H ASN A 12 -4.846 2.224 0.320 1.00 70.00 H ATOM 167 HA ASN A 12 -3.759 0.673 2.449 1.00 42.35 H ATOM 168 HB2 ASN A 12 -2.061 1.037 0.230 1.00 1.50 H ATOM 169 HB3 ASN A 12 -1.490 2.156 1.465 1.00 52.44 H ATOM 170 HD21 ASN A 12 -0.551 1.378 3.300 1.00 41.51 H ATOM 171 HD22 ASN A 12 -0.166 -0.289 3.538 1.00 51.01 H ATOM 172 N CYS A 13 -4.796 3.406 2.412 1.00 34.03 N ATOM 173 CA CYS A 13 -5.042 4.689 3.059 1.00 11.13 C ATOM 174 C CYS A 13 -6.538 4.933 3.233 1.00 35.35 C ATOM 175 O CYS A 13 -7.049 5.034 4.338 1.00 61.33 O ATOM 176 CB CYS A 13 -4.421 5.823 2.242 1.00 54.45 C ATOM 177 SG CYS A 13 -4.442 7.441 3.079 1.00 53.23 S ATOM 178 H CYS A 13 -5.522 2.978 1.910 1.00 62.42 H ATOM 179 HA CYS A 13 -4.578 4.664 4.034 1.00 73.25 H ATOM 180 HB2 CYS A 13 -3.391 5.579 2.026 1.00 52.41 H ATOM 181 HB3 CYS A 13 -4.963 5.926 1.313 1.00 14.01 H HETATM 182 N NH2 A 14 -7.263 5.030 2.097 1.00 62.51 N HETATM 183 HN1 NH2 A 14 -8.251 5.189 2.152 1.00 3.45 H HETATM 184 HN2 NH2 A 14 -6.827 4.944 1.201 1.00 5.11 H TER 185 NH2 A 14 ENDMDL MODEL 15 ATOM 1 N MET A 1 1.007 -0.060 -0.051 1.00 14.33 N ATOM 2 CA MET A 1 1.527 1.108 0.698 1.00 13.34 C ATOM 3 C MET A 1 1.519 2.344 -0.177 1.00 43.55 C ATOM 4 O MET A 1 2.000 2.250 -1.307 1.00 74.24 O ATOM 5 CB MET A 1 2.950 0.865 1.287 1.00 33.23 C ATOM 6 CG MET A 1 3.264 1.700 2.565 1.00 62.14 C ATOM 7 SD MET A 1 4.667 1.005 3.518 1.00 41.42 S ATOM 8 CE MET A 1 6.097 2.071 3.144 1.00 10.15 C ATOM 9 H1 MET A 1 0.156 -0.492 0.460 1.00 1.25 H ATOM 10 H2 MET A 1 0.637 0.243 -1.018 1.00 73.51 H ATOM 11 H3 MET A 1 1.770 -0.775 -0.168 1.00 33.15 H ATOM 12 HA MET A 1 0.842 1.301 1.544 1.00 3.12 H ATOM 13 HB2 MET A 1 3.039 -0.206 1.533 1.00 21.54 H ATOM 14 HB3 MET A 1 3.696 1.078 0.507 1.00 0.20 H ATOM 15 HG2 MET A 1 3.397 2.768 2.342 1.00 55.15 H ATOM 16 HG3 MET A 1 2.415 1.619 3.262 1.00 75.42 H ATOM 17 HE1 MET A 1 7.023 1.568 3.456 1.00 21.03 H ATOM 18 HE2 MET A 1 6.150 2.320 2.074 1.00 25.12 H ATOM 19 HE3 MET A 1 5.997 3.004 3.719 1.00 45.53 H ATOM 20 N CYS A 2 1.001 3.473 0.295 1.00 21.14 N ATOM 21 CA CYS A 2 0.965 4.692 -0.503 1.00 43.21 C ATOM 22 C CYS A 2 1.777 5.801 0.160 1.00 30.05 C ATOM 23 O CYS A 2 1.240 6.813 0.611 1.00 32.02 O ATOM 24 CB CYS A 2 -0.480 5.153 -0.704 1.00 3.13 C ATOM 25 SG CYS A 2 -1.659 3.796 -0.996 1.00 34.14 S ATOM 26 H CYS A 2 0.633 3.486 1.205 1.00 51.34 H ATOM 27 HA CYS A 2 1.400 4.471 -1.466 1.00 4.42 H ATOM 28 HB2 CYS A 2 -0.805 5.686 0.178 1.00 51.11 H ATOM 29 HB3 CYS A 2 -0.523 5.816 -1.555 1.00 52.01 H ATOM 30 N PRO A 3 3.103 5.608 0.222 1.00 32.43 N ATOM 31 CA PRO A 3 4.017 6.580 0.828 1.00 43.22 C ATOM 32 C PRO A 3 4.143 7.853 -0.003 1.00 31.14 C ATOM 33 O PRO A 3 4.440 8.931 0.511 1.00 1.44 O ATOM 34 CB PRO A 3 5.353 5.834 0.868 1.00 61.21 C ATOM 35 CG PRO A 3 5.258 4.828 -0.227 1.00 43.43 C ATOM 36 CD PRO A 3 3.811 4.425 -0.295 1.00 23.22 C ATOM 37 HA PRO A 3 3.716 6.836 1.833 1.00 34.10 H ATOM 38 HB2 PRO A 3 6.162 6.530 0.697 1.00 24.15 H ATOM 39 HB3 PRO A 3 5.476 5.359 1.830 1.00 53.12 H ATOM 40 HG2 PRO A 3 5.568 5.272 -1.161 1.00 52.32 H ATOM 41 HG3 PRO A 3 5.875 3.973 0.006 1.00 60.02 H ATOM 42 HD2 PRO A 3 3.524 4.219 -1.315 1.00 62.23 H ATOM 43 HD3 PRO A 3 3.630 3.564 0.331 1.00 22.53 H ATOM 44 N PRO A 4 3.911 7.728 -1.318 1.00 22.42 N ATOM 45 CA PRO A 4 3.992 8.858 -2.247 1.00 53.41 C ATOM 46 C PRO A 4 2.858 9.858 -2.043 1.00 44.11 C ATOM 47 O PRO A 4 2.990 11.038 -2.373 1.00 24.42 O ATOM 48 CB PRO A 4 3.879 8.196 -3.622 1.00 44.05 C ATOM 49 CG PRO A 4 3.141 6.926 -3.372 1.00 45.33 C ATOM 50 CD PRO A 4 3.552 6.472 -1.999 1.00 3.31 C ATOM 51 HA PRO A 4 4.940 9.370 -2.168 1.00 72.13 H ATOM 52 HB2 PRO A 4 3.335 8.845 -4.294 1.00 33.11 H ATOM 53 HB3 PRO A 4 4.866 8.008 -4.017 1.00 25.51 H ATOM 54 HG2 PRO A 4 2.078 7.107 -3.405 1.00 11.10 H ATOM 55 HG3 PRO A 4 3.421 6.188 -4.110 1.00 10.33 H ATOM 56 HD2 PRO A 4 2.728 5.985 -1.500 1.00 54.01 H ATOM 57 HD3 PRO A 4 4.404 5.810 -2.059 1.00 55.22 H ATOM 58 N LEU A 5 1.745 9.380 -1.498 1.00 3.22 N ATOM 59 CA LEU A 5 0.588 10.233 -1.249 1.00 60.21 C ATOM 60 C LEU A 5 -0.568 9.426 -0.666 1.00 63.23 C ATOM 61 O LEU A 5 -1.049 8.475 -1.284 1.00 1.31 O ATOM 62 CB LEU A 5 0.146 10.916 -2.544 1.00 52.41 C ATOM 63 CG LEU A 5 0.167 10.048 -3.803 1.00 1.14 C ATOM 64 CD1 LEU A 5 -1.231 9.922 -4.388 1.00 1.21 C ATOM 65 CD2 LEU A 5 1.128 10.624 -4.832 1.00 3.41 C ATOM 66 H LEU A 5 1.700 8.432 -1.256 1.00 74.02 H ATOM 67 HA LEU A 5 0.880 10.988 -0.535 1.00 23.14 H ATOM 68 HB2 LEU A 5 -0.864 11.269 -2.403 1.00 52.43 H ATOM 69 HB3 LEU A 5 0.800 11.760 -2.712 1.00 1.22 H ATOM 70 HG LEU A 5 0.510 9.056 -3.542 1.00 52.11 H ATOM 71 HD11 LEU A 5 -1.912 9.579 -3.624 1.00 4.34 H ATOM 72 HD12 LEU A 5 -1.217 9.213 -5.203 1.00 14.44 H ATOM 73 HD13 LEU A 5 -1.556 10.885 -4.755 1.00 4.15 H ATOM 74 HD21 LEU A 5 1.656 9.820 -5.321 1.00 64.24 H ATOM 75 HD22 LEU A 5 1.837 11.273 -4.338 1.00 60.03 H ATOM 76 HD23 LEU A 5 0.573 11.191 -5.566 1.00 31.43 H ATOM 77 N CYS A 6 -1.010 9.812 0.526 1.00 74.15 N ATOM 78 CA CYS A 6 -2.111 9.126 1.192 1.00 40.40 C ATOM 79 C CYS A 6 -3.451 9.530 0.584 1.00 51.00 C ATOM 80 O CYS A 6 -4.262 10.197 1.227 1.00 20.01 O ATOM 81 CB CYS A 6 -2.103 9.440 2.689 1.00 23.14 C ATOM 82 SG CYS A 6 -2.840 8.136 3.726 1.00 13.21 S ATOM 83 H CYS A 6 -0.586 10.577 0.969 1.00 51.34 H ATOM 84 HA CYS A 6 -1.973 8.065 1.055 1.00 64.24 H ATOM 85 HB2 CYS A 6 -1.082 9.579 3.015 1.00 62.24 H ATOM 86 HB3 CYS A 6 -2.657 10.351 2.862 1.00 62.32 H ATOM 87 N LYS A 7 -3.677 9.121 -0.660 1.00 34.23 N ATOM 88 CA LYS A 7 -4.919 9.437 -1.356 1.00 1.21 C ATOM 89 C LYS A 7 -6.052 8.529 -0.888 1.00 64.12 C ATOM 90 O LYS A 7 -5.828 7.437 -0.365 1.00 13.23 O ATOM 91 CB LYS A 7 -4.730 9.297 -2.868 1.00 62.10 C ATOM 92 CG LYS A 7 -4.629 10.627 -3.594 1.00 51.13 C ATOM 93 CD LYS A 7 -3.664 11.571 -2.898 1.00 4.24 C ATOM 94 CE LYS A 7 -3.192 12.675 -3.832 1.00 2.04 C ATOM 95 NZ LYS A 7 -1.940 13.317 -3.344 1.00 23.12 N ATOM 96 H LYS A 7 -2.992 8.592 -1.121 1.00 34.33 H ATOM 97 HA LYS A 7 -5.176 10.460 -1.127 1.00 51.21 H ATOM 98 HB2 LYS A 7 -3.824 8.739 -3.055 1.00 74.32 H ATOM 99 HB3 LYS A 7 -5.569 8.751 -3.275 1.00 13.45 H ATOM 100 HG2 LYS A 7 -4.281 10.452 -4.601 1.00 65.22 H ATOM 101 HG3 LYS A 7 -5.608 11.085 -3.625 1.00 4.23 H ATOM 102 HD2 LYS A 7 -4.161 12.020 -2.051 1.00 4.25 H ATOM 103 HD3 LYS A 7 -2.806 11.008 -2.557 1.00 41.33 H ATOM 104 HE2 LYS A 7 -3.012 12.251 -4.807 1.00 60.44 H ATOM 105 HE3 LYS A 7 -3.967 13.424 -3.902 1.00 44.23 H ATOM 106 HZ1 LYS A 7 -1.830 13.156 -2.322 1.00 52.53 H ATOM 107 HZ2 LYS A 7 -1.971 14.341 -3.522 1.00 1.21 H ATOM 108 HZ3 LYS A 7 -1.117 12.916 -3.837 1.00 60.13 H ATOM 109 N PRO A 8 -7.297 8.987 -1.082 1.00 12.44 N ATOM 110 CA PRO A 8 -8.489 8.230 -0.688 1.00 54.53 C ATOM 111 C PRO A 8 -8.704 6.995 -1.556 1.00 52.32 C ATOM 112 O PRO A 8 -8.689 7.078 -2.784 1.00 75.33 O ATOM 113 CB PRO A 8 -9.629 9.232 -0.892 1.00 42.13 C ATOM 114 CG PRO A 8 -9.121 10.178 -1.925 1.00 0.43 C ATOM 115 CD PRO A 8 -7.638 10.280 -1.700 1.00 23.13 C ATOM 116 HA PRO A 8 -8.448 7.936 0.350 1.00 1.53 H ATOM 117 HB2 PRO A 8 -10.513 8.711 -1.233 1.00 44.21 H ATOM 118 HB3 PRO A 8 -9.839 9.738 0.038 1.00 43.42 H ATOM 119 HG2 PRO A 8 -9.325 9.790 -2.911 1.00 0.11 H ATOM 120 HG3 PRO A 8 -9.586 11.145 -1.797 1.00 20.22 H ATOM 121 HD2 PRO A 8 -7.121 10.406 -2.640 1.00 31.14 H ATOM 122 HD3 PRO A 8 -7.413 11.097 -1.031 1.00 4.53 H ATOM 123 N SER A 9 -8.904 5.851 -0.910 1.00 51.00 N ATOM 124 CA SER A 9 -9.119 4.598 -1.624 1.00 22.44 C ATOM 125 C SER A 9 -7.878 4.207 -2.421 1.00 11.00 C ATOM 126 O SER A 9 -7.965 3.875 -3.604 1.00 22.35 O ATOM 127 CB SER A 9 -10.323 4.719 -2.559 1.00 71.33 C ATOM 128 OG SER A 9 -11.361 5.473 -1.959 1.00 14.40 O ATOM 129 H SER A 9 -8.905 5.850 0.070 1.00 25.22 H ATOM 130 HA SER A 9 -9.318 3.829 -0.891 1.00 53.44 H ATOM 131 HB2 SER A 9 -10.019 5.209 -3.471 1.00 51.24 H ATOM 132 HB3 SER A 9 -10.698 3.732 -2.789 1.00 23.43 H ATOM 133 HG SER A 9 -11.981 4.880 -1.528 1.00 70.13 H ATOM 134 N CYS A 10 -6.723 4.250 -1.765 1.00 33.41 N ATOM 135 CA CYS A 10 -5.463 3.901 -2.410 1.00 53.33 C ATOM 136 C CYS A 10 -5.026 2.491 -2.024 1.00 3.42 C ATOM 137 O CYS A 10 -3.887 2.093 -2.269 1.00 45.01 O ATOM 138 CB CYS A 10 -4.376 4.907 -2.029 1.00 4.32 C ATOM 139 SG CYS A 10 -3.555 4.549 -0.443 1.00 25.14 S ATOM 140 H CYS A 10 -6.718 4.523 -0.823 1.00 20.42 H ATOM 141 HA CYS A 10 -5.616 3.937 -3.478 1.00 52.41 H ATOM 142 HB2 CYS A 10 -3.616 4.913 -2.797 1.00 41.00 H ATOM 143 HB3 CYS A 10 -4.815 5.891 -1.957 1.00 50.22 H ATOM 144 N THR A 11 -5.939 1.739 -1.418 1.00 13.54 N ATOM 145 CA THR A 11 -5.649 0.375 -0.996 1.00 63.11 C ATOM 146 C THR A 11 -4.673 0.357 0.175 1.00 14.23 C ATOM 147 O THR A 11 -4.145 -0.692 0.539 1.00 65.42 O ATOM 148 CB THR A 11 -5.061 -0.457 -2.152 1.00 4.34 C ATOM 149 OG1 THR A 11 -5.744 -0.151 -3.372 1.00 43.14 O ATOM 150 CG2 THR A 11 -5.175 -1.945 -1.860 1.00 21.32 C ATOM 151 H THR A 11 -6.829 2.113 -1.250 1.00 14.23 H ATOM 152 HA THR A 11 -6.577 -0.083 -0.686 1.00 62.35 H ATOM 153 HB THR A 11 -4.015 -0.205 -2.260 1.00 72.42 H ATOM 154 HG1 THR A 11 -6.680 -0.342 -3.272 1.00 45.21 H ATOM 155 HG21 THR A 11 -5.922 -2.382 -2.505 1.00 41.14 H ATOM 156 HG22 THR A 11 -5.462 -2.089 -0.829 1.00 34.13 H ATOM 157 HG23 THR A 11 -4.222 -2.421 -2.038 1.00 32.20 H ATOM 158 N ASN A 12 -4.440 1.526 0.763 1.00 52.30 N ATOM 159 CA ASN A 12 -3.528 1.644 1.895 1.00 43.45 C ATOM 160 C ASN A 12 -3.685 2.998 2.581 1.00 33.44 C ATOM 161 O ASN A 12 -2.744 3.513 3.185 1.00 41.21 O ATOM 162 CB ASN A 12 -2.081 1.460 1.431 1.00 12.43 C ATOM 163 CG ASN A 12 -1.372 0.347 2.178 1.00 73.23 C ATOM 164 OD1 ASN A 12 -0.695 0.588 3.177 1.00 64.40 O ATOM 165 ND2 ASN A 12 -1.526 -0.880 1.694 1.00 22.43 N ATOM 166 H ASN A 12 -4.892 2.329 0.428 1.00 60.32 H ATOM 167 HA ASN A 12 -3.772 0.865 2.600 1.00 33.21 H ATOM 168 HB2 ASN A 12 -2.075 1.222 0.378 1.00 63.14 H ATOM 169 HB3 ASN A 12 -1.538 2.380 1.592 1.00 70.54 H ATOM 170 HD21 ASN A 12 -2.080 -0.997 0.894 1.00 20.33 H ATOM 171 HD22 ASN A 12 -1.079 -1.619 2.158 1.00 60.22 H ATOM 172 N CYS A 13 -4.882 3.568 2.486 1.00 62.32 N ATOM 173 CA CYS A 13 -5.164 4.861 3.097 1.00 34.53 C ATOM 174 C CYS A 13 -6.668 5.070 3.256 1.00 4.13 C ATOM 175 O CYS A 13 -7.190 5.170 4.355 1.00 21.01 O ATOM 176 CB CYS A 13 -4.568 5.989 2.254 1.00 64.34 C ATOM 177 SG CYS A 13 -4.639 7.627 3.046 1.00 52.51 S ATOM 178 H CYS A 13 -5.593 3.107 1.991 1.00 1.51 H ATOM 179 HA CYS A 13 -4.706 4.873 4.075 1.00 75.24 H ATOM 180 HB2 CYS A 13 -3.529 5.767 2.053 1.00 75.03 H ATOM 181 HB3 CYS A 13 -5.104 6.051 1.319 1.00 53.24 H HETATM 182 N NH2 A 14 -7.384 5.138 2.113 1.00 71.03 N HETATM 183 HN1 NH2 A 14 -8.376 5.275 2.158 1.00 31.33 H HETATM 184 HN2 NH2 A 14 -6.938 5.054 1.222 1.00 72.14 H TER 185 NH2 A 14 ENDMDL MODEL 16 ATOM 1 N MET A 1 2.136 -0.052 -1.282 1.00 20.41 N ATOM 2 CA MET A 1 1.879 1.082 -0.364 1.00 53.53 C ATOM 3 C MET A 1 1.857 2.389 -1.132 1.00 23.34 C ATOM 4 O MET A 1 2.374 2.406 -2.249 1.00 41.11 O ATOM 5 CB MET A 1 2.902 1.155 0.810 1.00 40.43 C ATOM 6 CG MET A 1 2.407 1.976 2.039 1.00 62.44 C ATOM 7 SD MET A 1 2.922 1.221 3.627 1.00 31.25 S ATOM 8 CE MET A 1 2.099 2.195 4.929 1.00 23.53 C ATOM 9 H1 MET A 1 1.883 0.216 -2.300 1.00 3.15 H ATOM 10 H2 MET A 1 3.187 -0.295 -1.302 1.00 1.11 H ATOM 11 H3 MET A 1 1.581 -0.892 -0.973 1.00 4.30 H ATOM 12 HA MET A 1 0.874 0.943 0.075 1.00 63.04 H ATOM 13 HB2 MET A 1 3.122 0.125 1.136 1.00 14.24 H ATOM 14 HB3 MET A 1 3.844 1.580 0.431 1.00 63.31 H ATOM 15 HG2 MET A 1 2.684 3.037 1.969 1.00 10.24 H ATOM 16 HG3 MET A 1 1.307 1.931 2.077 1.00 33.24 H ATOM 17 HE1 MET A 1 2.833 2.477 5.697 1.00 11.34 H ATOM 18 HE2 MET A 1 1.621 3.097 4.521 1.00 13.11 H ATOM 19 HE3 MET A 1 1.327 1.568 5.400 1.00 54.13 H ATOM 20 N CYS A 2 1.289 3.456 -0.582 1.00 15.25 N ATOM 21 CA CYS A 2 1.237 4.738 -1.274 1.00 40.10 C ATOM 22 C CYS A 2 2.009 5.805 -0.502 1.00 71.45 C ATOM 23 O CYS A 2 1.436 6.748 0.044 1.00 22.50 O ATOM 24 CB CYS A 2 -0.215 5.181 -1.464 1.00 31.03 C ATOM 25 SG CYS A 2 -1.346 3.835 -1.942 1.00 15.55 S ATOM 26 H CYS A 2 0.893 3.380 0.313 1.00 40.21 H ATOM 27 HA CYS A 2 1.695 4.610 -2.243 1.00 52.51 H ATOM 28 HB2 CYS A 2 -0.579 5.602 -0.537 1.00 61.45 H ATOM 29 HB3 CYS A 2 -0.256 5.935 -2.236 1.00 5.03 H ATOM 30 N PRO A 3 3.341 5.654 -0.456 1.00 71.53 N ATOM 31 CA PRO A 3 4.220 6.594 0.244 1.00 24.15 C ATOM 32 C PRO A 3 4.300 7.946 -0.457 1.00 32.35 C ATOM 33 O PRO A 3 4.559 8.978 0.162 1.00 43.44 O ATOM 34 CB PRO A 3 5.582 5.895 0.215 1.00 41.42 C ATOM 35 CG PRO A 3 5.523 5.000 -0.974 1.00 74.22 C ATOM 36 CD PRO A 3 4.091 4.553 -1.085 1.00 50.31 C ATOM 37 HA PRO A 3 3.910 6.739 1.269 1.00 25.31 H ATOM 38 HB2 PRO A 3 6.366 6.633 0.116 1.00 51.32 H ATOM 39 HB3 PRO A 3 5.722 5.333 1.126 1.00 43.14 H ATOM 40 HG2 PRO A 3 5.815 5.544 -1.859 1.00 43.11 H ATOM 41 HG3 PRO A 3 6.170 4.148 -0.825 1.00 13.15 H ATOM 42 HD2 PRO A 3 3.811 4.439 -2.122 1.00 33.54 H ATOM 43 HD3 PRO A 3 3.941 3.629 -0.547 1.00 63.21 H ATOM 44 N PRO A 4 4.071 7.942 -1.778 1.00 51.22 N ATOM 45 CA PRO A 4 4.110 9.161 -2.592 1.00 0.14 C ATOM 46 C PRO A 4 2.942 10.095 -2.293 1.00 3.22 C ATOM 47 O PRO A 4 3.031 11.305 -2.506 1.00 44.03 O ATOM 48 CB PRO A 4 4.019 8.634 -4.026 1.00 24.43 C ATOM 49 CG PRO A 4 3.327 7.320 -3.903 1.00 42.11 C ATOM 50 CD PRO A 4 3.756 6.748 -2.580 1.00 53.11 C ATOM 51 HA PRO A 4 5.040 9.696 -2.461 1.00 34.41 H ATOM 52 HB2 PRO A 4 3.451 9.326 -4.631 1.00 62.32 H ATOM 53 HB3 PRO A 4 5.012 8.520 -4.435 1.00 20.14 H ATOM 54 HG2 PRO A 4 2.258 7.466 -3.920 1.00 71.52 H ATOM 55 HG3 PRO A 4 3.632 6.669 -4.709 1.00 33.41 H ATOM 56 HD2 PRO A 4 2.950 6.185 -2.133 1.00 55.34 H ATOM 57 HD3 PRO A 4 4.630 6.126 -2.703 1.00 72.35 H ATOM 58 N LEU A 5 1.848 9.527 -1.798 1.00 3.24 N ATOM 59 CA LEU A 5 0.662 10.310 -1.469 1.00 30.25 C ATOM 60 C LEU A 5 -0.456 9.411 -0.950 1.00 13.53 C ATOM 61 O LEU A 5 -0.927 8.518 -1.655 1.00 14.45 O ATOM 62 CB LEU A 5 0.181 11.084 -2.697 1.00 10.42 C ATOM 63 CG LEU A 5 0.278 10.349 -4.034 1.00 51.41 C ATOM 64 CD1 LEU A 5 -1.095 10.227 -4.677 1.00 0.22 C ATOM 65 CD2 LEU A 5 1.244 11.065 -4.967 1.00 52.12 C ATOM 66 H LEU A 5 1.837 8.559 -1.649 1.00 60.02 H ATOM 67 HA LEU A 5 0.932 11.011 -0.694 1.00 5.54 H ATOM 68 HB2 LEU A 5 -0.854 11.346 -2.538 1.00 43.40 H ATOM 69 HB3 LEU A 5 0.772 11.986 -2.770 1.00 51.41 H ATOM 70 HG LEU A 5 0.655 9.351 -3.862 1.00 65.34 H ATOM 71 HD11 LEU A 5 -1.425 11.200 -5.008 1.00 71.01 H ATOM 72 HD12 LEU A 5 -1.796 9.835 -3.955 1.00 55.23 H ATOM 73 HD13 LEU A 5 -1.038 9.558 -5.523 1.00 1.01 H ATOM 74 HD21 LEU A 5 2.256 10.917 -4.620 1.00 74.15 H ATOM 75 HD22 LEU A 5 1.017 12.121 -4.978 1.00 4.12 H ATOM 76 HD23 LEU A 5 1.142 10.665 -5.966 1.00 3.31 H ATOM 77 N CYS A 6 -0.879 9.655 0.286 1.00 5.24 N ATOM 78 CA CYS A 6 -1.943 8.870 0.900 1.00 2.32 C ATOM 79 C CYS A 6 -3.308 9.290 0.362 1.00 3.35 C ATOM 80 O CYS A 6 -4.149 9.800 1.103 1.00 53.14 O ATOM 81 CB CYS A 6 -1.911 9.030 2.421 1.00 5.25 C ATOM 82 SG CYS A 6 -2.773 7.706 3.327 1.00 73.42 S ATOM 83 H CYS A 6 -0.464 10.381 0.799 1.00 2.23 H ATOM 84 HA CYS A 6 -1.776 7.833 0.652 1.00 4.24 H ATOM 85 HB2 CYS A 6 -0.882 9.038 2.753 1.00 33.21 H ATOM 86 HB3 CYS A 6 -2.376 9.968 2.687 1.00 22.22 H ATOM 87 N LYS A 7 -3.520 9.072 -0.931 1.00 14.32 N ATOM 88 CA LYS A 7 -4.783 9.426 -1.569 1.00 63.24 C ATOM 89 C LYS A 7 -5.884 8.445 -1.178 1.00 3.41 C ATOM 90 O LYS A 7 -5.624 7.340 -0.703 1.00 25.30 O ATOM 91 CB LYS A 7 -4.620 9.446 -3.091 1.00 32.31 C ATOM 92 CG LYS A 7 -4.504 10.844 -3.672 1.00 14.30 C ATOM 93 CD LYS A 7 -3.402 11.640 -2.994 1.00 11.42 C ATOM 94 CE LYS A 7 -3.970 12.764 -2.141 1.00 13.13 C ATOM 95 NZ LYS A 7 -3.018 13.902 -2.017 1.00 2.15 N ATOM 96 H LYS A 7 -2.811 8.662 -1.469 1.00 43.43 H ATOM 97 HA LYS A 7 -5.060 10.413 -1.232 1.00 41.15 H ATOM 98 HB2 LYS A 7 -3.729 8.895 -3.353 1.00 72.51 H ATOM 99 HB3 LYS A 7 -5.477 8.962 -3.539 1.00 2.43 H ATOM 100 HG2 LYS A 7 -4.283 10.769 -4.726 1.00 41.22 H ATOM 101 HG3 LYS A 7 -5.445 11.360 -3.536 1.00 24.25 H ATOM 102 HD2 LYS A 7 -2.829 10.979 -2.362 1.00 24.22 H ATOM 103 HD3 LYS A 7 -2.759 12.065 -3.751 1.00 44.14 H ATOM 104 HE2 LYS A 7 -4.883 13.118 -2.596 1.00 22.34 H ATOM 105 HE3 LYS A 7 -4.186 12.377 -1.156 1.00 23.22 H ATOM 106 HZ1 LYS A 7 -2.900 14.372 -2.937 1.00 12.03 H ATOM 107 HZ2 LYS A 7 -2.091 13.558 -1.694 1.00 2.13 H ATOM 108 HZ3 LYS A 7 -3.376 14.595 -1.329 1.00 34.32 H ATOM 109 N PRO A 8 -7.144 8.857 -1.382 1.00 61.12 N ATOM 110 CA PRO A 8 -8.309 8.029 -1.059 1.00 74.42 C ATOM 111 C PRO A 8 -8.446 6.830 -1.992 1.00 45.45 C ATOM 112 O PRO A 8 -8.159 6.925 -3.186 1.00 15.41 O ATOM 113 CB PRO A 8 -9.488 8.987 -1.244 1.00 52.34 C ATOM 114 CG PRO A 8 -8.999 10.006 -2.215 1.00 0.32 C ATOM 115 CD PRO A 8 -7.528 10.162 -1.945 1.00 0.52 C ATOM 116 HA PRO A 8 -8.280 7.685 -0.036 1.00 32.34 H ATOM 117 HB2 PRO A 8 -10.338 8.445 -1.634 1.00 54.33 H ATOM 118 HB3 PRO A 8 -9.744 9.436 -0.296 1.00 53.15 H ATOM 119 HG2 PRO A 8 -9.160 9.660 -3.224 1.00 73.50 H ATOM 120 HG3 PRO A 8 -9.511 10.943 -2.052 1.00 0.20 H ATOM 121 HD2 PRO A 8 -6.995 10.359 -2.863 1.00 65.30 H ATOM 122 HD3 PRO A 8 -7.357 10.954 -1.231 1.00 14.55 H ATOM 123 N SER A 9 -8.884 5.703 -1.441 1.00 54.40 N ATOM 124 CA SER A 9 -9.055 4.485 -2.224 1.00 54.21 C ATOM 125 C SER A 9 -7.715 3.993 -2.762 1.00 73.21 C ATOM 126 O SER A 9 -7.630 3.492 -3.884 1.00 25.34 O ATOM 127 CB SER A 9 -10.024 4.730 -3.383 1.00 10.24 C ATOM 128 OG SER A 9 -10.847 3.599 -3.607 1.00 61.42 O ATOM 129 H SER A 9 -9.096 5.691 -0.484 1.00 21.31 H ATOM 130 HA SER A 9 -9.469 3.729 -1.574 1.00 61.41 H ATOM 131 HB2 SER A 9 -10.652 5.577 -3.150 1.00 72.54 H ATOM 132 HB3 SER A 9 -9.461 4.935 -4.282 1.00 1.44 H ATOM 133 HG SER A 9 -11.301 3.366 -2.794 1.00 1.11 H ATOM 134 N CYS A 10 -6.671 4.139 -1.954 1.00 43.31 N ATOM 135 CA CYS A 10 -5.334 3.711 -2.347 1.00 24.14 C ATOM 136 C CYS A 10 -4.948 2.415 -1.639 1.00 3.45 C ATOM 137 O CYS A 10 -3.801 1.972 -1.711 1.00 2.44 O ATOM 138 CB CYS A 10 -4.311 4.803 -2.028 1.00 11.43 C ATOM 139 SG CYS A 10 -2.790 4.712 -3.026 1.00 2.23 S ATOM 140 H CYS A 10 -6.802 4.546 -1.071 1.00 40.22 H ATOM 141 HA CYS A 10 -5.340 3.536 -3.412 1.00 13.23 H ATOM 142 HB2 CYS A 10 -4.761 5.770 -2.204 1.00 73.52 H ATOM 143 HB3 CYS A 10 -4.028 4.729 -0.988 1.00 71.42 H ATOM 144 N THR A 11 -5.914 1.811 -0.954 1.00 1.23 N ATOM 145 CA THR A 11 -5.676 0.568 -0.232 1.00 33.32 C ATOM 146 C THR A 11 -4.672 0.770 0.897 1.00 44.34 C ATOM 147 O THR A 11 -3.529 1.159 0.660 1.00 24.31 O ATOM 148 CB THR A 11 -5.159 -0.538 -1.172 1.00 13.31 C ATOM 149 OG1 THR A 11 -3.730 -0.487 -1.248 1.00 33.42 O ATOM 150 CG2 THR A 11 -5.752 -0.385 -2.565 1.00 0.45 C ATOM 151 H THR A 11 -6.807 2.213 -0.934 1.00 13.21 H ATOM 152 HA THR A 11 -6.616 0.242 0.190 1.00 52.00 H ATOM 153 HB THR A 11 -5.458 -1.497 -0.773 1.00 44.22 H ATOM 154 HG1 THR A 11 -3.400 -1.313 -1.610 1.00 23.11 H ATOM 155 HG21 THR A 11 -5.685 -1.326 -3.089 1.00 44.42 H ATOM 156 HG22 THR A 11 -5.204 0.370 -3.108 1.00 44.52 H ATOM 157 HG23 THR A 11 -6.788 -0.090 -2.484 1.00 62.15 H ATOM 158 N ASN A 12 -5.106 0.504 2.124 1.00 22.12 N ATOM 159 CA ASN A 12 -4.243 0.657 3.290 1.00 11.21 C ATOM 160 C ASN A 12 -3.840 2.116 3.480 1.00 4.21 C ATOM 161 O ASN A 12 -2.741 2.412 3.952 1.00 72.31 O ATOM 162 CB ASN A 12 -2.994 -0.214 3.144 1.00 31.33 C ATOM 163 CG ASN A 12 -2.310 -0.471 4.473 1.00 21.01 C ATOM 164 OD1 ASN A 12 -2.887 -0.240 5.536 1.00 42.32 O ATOM 165 ND2 ASN A 12 -1.073 -0.952 4.419 1.00 52.44 N ATOM 166 H ASN A 12 -6.028 0.197 2.249 1.00 12.44 H ATOM 167 HA ASN A 12 -4.798 0.333 4.158 1.00 40.34 H ATOM 168 HB2 ASN A 12 -3.274 -1.166 2.716 1.00 14.22 H ATOM 169 HB3 ASN A 12 -2.293 0.279 2.488 1.00 23.50 H ATOM 170 HD21 ASN A 12 -0.677 -1.111 3.536 1.00 23.45 H ATOM 171 HD22 ASN A 12 -0.608 -1.127 5.263 1.00 63.42 H ATOM 172 N CYS A 13 -4.735 3.025 3.110 1.00 15.21 N ATOM 173 CA CYS A 13 -4.474 4.454 3.239 1.00 35.33 C ATOM 174 C CYS A 13 -5.777 5.248 3.221 1.00 11.43 C ATOM 175 O CYS A 13 -6.420 5.406 2.195 1.00 4.05 O ATOM 176 CB CYS A 13 -3.558 4.930 2.111 1.00 40.04 C ATOM 177 SG CYS A 13 -2.146 5.934 2.673 1.00 0.22 S ATOM 178 H CYS A 13 -5.594 2.728 2.740 1.00 31.15 H ATOM 179 HA CYS A 13 -3.981 4.617 4.185 1.00 22.31 H ATOM 180 HB2 CYS A 13 -3.162 4.069 1.592 1.00 42.34 H ATOM 181 HB3 CYS A 13 -4.132 5.528 1.419 1.00 75.02 H HETATM 182 N NH2 A 14 -6.176 5.766 4.404 1.00 22.11 N HETATM 183 HN1 NH2 A 14 -7.025 6.297 4.450 1.00 5.22 H HETATM 184 HN2 NH2 A 14 -5.636 5.626 5.234 1.00 23.01 H TER 185 NH2 A 14 ENDMDL MODEL 17 ATOM 1 N MET A 1 1.596 0.315 -0.578 1.00 11.32 N ATOM 2 CA MET A 1 2.331 1.404 0.108 1.00 24.44 C ATOM 3 C MET A 1 2.252 2.685 -0.696 1.00 61.23 C ATOM 4 O MET A 1 2.810 2.709 -1.794 1.00 25.44 O ATOM 5 CB MET A 1 3.817 1.036 0.405 1.00 3.22 C ATOM 6 CG MET A 1 4.366 1.623 1.740 1.00 22.12 C ATOM 7 SD MET A 1 4.999 0.318 2.861 1.00 11.44 S ATOM 8 CE MET A 1 6.184 1.148 3.969 1.00 65.42 C ATOM 9 H1 MET A 1 0.609 0.649 -0.871 1.00 41.25 H ATOM 10 H2 MET A 1 2.091 0.041 -1.496 1.00 42.43 H ATOM 11 H3 MET A 1 1.529 -0.522 0.056 1.00 71.43 H ATOM 12 HA MET A 1 1.833 1.592 1.076 1.00 11.43 H ATOM 13 HB2 MET A 1 3.897 -0.063 0.442 1.00 71.11 H ATOM 14 HB3 MET A 1 4.440 1.375 -0.437 1.00 12.21 H ATOM 15 HG2 MET A 1 5.100 2.424 1.572 1.00 11.05 H ATOM 16 HG3 MET A 1 3.530 2.065 2.306 1.00 32.51 H ATOM 17 HE1 MET A 1 6.581 0.423 4.693 1.00 25.43 H ATOM 18 HE2 MET A 1 7.013 1.606 3.408 1.00 31.33 H ATOM 19 HE3 MET A 1 5.654 1.937 4.522 1.00 51.33 H ATOM 20 N CYS A 2 1.591 3.725 -0.199 1.00 60.30 N ATOM 21 CA CYS A 2 1.480 4.981 -0.930 1.00 3.55 C ATOM 22 C CYS A 2 2.137 6.121 -0.155 1.00 33.42 C ATOM 23 O CYS A 2 1.474 7.039 0.329 1.00 71.34 O ATOM 24 CB CYS A 2 0.011 5.312 -1.197 1.00 13.40 C ATOM 25 SG CYS A 2 -0.975 3.898 -1.786 1.00 23.24 S ATOM 26 H CYS A 2 1.166 3.645 0.682 1.00 44.04 H ATOM 27 HA CYS A 2 1.991 4.863 -1.873 1.00 1.21 H ATOM 28 HB2 CYS A 2 -0.442 5.669 -0.283 1.00 41.42 H ATOM 29 HB3 CYS A 2 -0.045 6.087 -1.947 1.00 11.51 H ATOM 30 N PRO A 3 3.471 6.061 -0.033 1.00 42.53 N ATOM 31 CA PRO A 3 4.247 7.080 0.681 1.00 70.13 C ATOM 32 C PRO A 3 4.275 8.412 -0.060 1.00 44.34 C ATOM 33 O PRO A 3 4.437 9.478 0.535 1.00 61.22 O ATOM 34 CB PRO A 3 5.651 6.475 0.747 1.00 64.45 C ATOM 35 CG PRO A 3 5.716 5.542 -0.413 1.00 24.50 C ATOM 36 CD PRO A 3 4.326 4.996 -0.584 1.00 54.11 C ATOM 37 HA PRO A 3 3.872 7.234 1.682 1.00 4.31 H ATOM 38 HB2 PRO A 3 6.389 7.261 0.664 1.00 20.52 H ATOM 39 HB3 PRO A 3 5.778 5.951 1.682 1.00 21.10 H ATOM 40 HG2 PRO A 3 6.021 6.077 -1.299 1.00 53.40 H ATOM 41 HG3 PRO A 3 6.409 4.741 -0.201 1.00 21.43 H ATOM 42 HD2 PRO A 3 4.111 4.831 -1.630 1.00 12.35 H ATOM 43 HD3 PRO A 3 4.208 4.080 -0.024 1.00 11.21 H ATOM 44 N PRO A 4 4.114 8.354 -1.391 1.00 22.13 N ATOM 45 CA PRO A 4 4.117 9.548 -2.242 1.00 33.45 C ATOM 46 C PRO A 4 2.878 10.412 -2.031 1.00 43.11 C ATOM 47 O PRO A 4 2.901 11.618 -2.280 1.00 10.35 O ATOM 48 CB PRO A 4 4.132 8.972 -3.660 1.00 4.21 C ATOM 49 CG PRO A 4 3.520 7.621 -3.527 1.00 70.32 C ATOM 50 CD PRO A 4 3.917 7.118 -2.167 1.00 14.14 C ATOM 51 HA PRO A 4 5.003 10.145 -2.084 1.00 15.31 H ATOM 52 HB2 PRO A 4 3.553 9.607 -4.315 1.00 55.10 H ATOM 53 HB3 PRO A 4 5.150 8.911 -4.016 1.00 54.23 H ATOM 54 HG2 PRO A 4 2.446 7.695 -3.601 1.00 12.41 H ATOM 55 HG3 PRO A 4 3.906 6.966 -4.295 1.00 54.41 H ATOM 56 HD2 PRO A 4 3.126 6.518 -1.741 1.00 24.40 H ATOM 57 HD3 PRO A 4 4.834 6.551 -2.227 1.00 33.44 H ATOM 58 N LEU A 5 1.799 9.789 -1.572 1.00 32.04 N ATOM 59 CA LEU A 5 0.550 10.502 -1.327 1.00 11.02 C ATOM 60 C LEU A 5 -0.531 9.550 -0.824 1.00 1.40 C ATOM 61 O LEU A 5 -0.993 8.676 -1.557 1.00 75.12 O ATOM 62 CB LEU A 5 0.078 11.198 -2.605 1.00 2.14 C ATOM 63 CG LEU A 5 0.267 10.415 -3.904 1.00 73.13 C ATOM 64 CD1 LEU A 5 -1.070 10.202 -4.598 1.00 21.33 C ATOM 65 CD2 LEU A 5 1.239 11.137 -4.826 1.00 54.21 C ATOM 66 H LEU A 5 1.842 8.827 -1.392 1.00 75.12 H ATOM 67 HA LEU A 5 0.737 11.248 -0.569 1.00 23.45 H ATOM 68 HB2 LEU A 5 -0.974 11.410 -2.496 1.00 53.24 H ATOM 69 HB3 LEU A 5 0.623 12.127 -2.695 1.00 25.03 H ATOM 70 HG LEU A 5 0.682 9.443 -3.675 1.00 13.13 H ATOM 71 HD11 LEU A 5 -1.444 11.148 -4.957 1.00 11.43 H ATOM 72 HD12 LEU A 5 -1.775 9.778 -3.898 1.00 22.22 H ATOM 73 HD13 LEU A 5 -0.940 9.526 -5.430 1.00 45.04 H ATOM 74 HD21 LEU A 5 0.933 12.167 -4.935 1.00 4.21 H ATOM 75 HD22 LEU A 5 1.240 10.657 -5.794 1.00 1.43 H ATOM 76 HD23 LEU A 5 2.232 11.098 -4.403 1.00 62.14 H ATOM 77 N CYS A 6 -0.931 9.728 0.431 1.00 71.33 N ATOM 78 CA CYS A 6 -1.959 8.887 1.032 1.00 21.22 C ATOM 79 C CYS A 6 -3.347 9.293 0.547 1.00 53.42 C ATOM 80 O CYS A 6 -4.165 9.794 1.319 1.00 55.03 O ATOM 81 CB CYS A 6 -1.893 8.978 2.558 1.00 32.31 C ATOM 82 SG CYS A 6 -3.024 7.839 3.420 1.00 15.41 S ATOM 83 H CYS A 6 -0.525 10.442 0.966 1.00 3.21 H ATOM 84 HA CYS A 6 -1.771 7.867 0.733 1.00 43.13 H ATOM 85 HB2 CYS A 6 -0.888 8.748 2.882 1.00 52.43 H ATOM 86 HB3 CYS A 6 -2.143 9.983 2.862 1.00 0.32 H ATOM 87 N LYS A 7 -3.606 9.074 -0.738 1.00 13.51 N ATOM 88 CA LYS A 7 -4.895 9.416 -1.328 1.00 72.20 C ATOM 89 C LYS A 7 -5.945 8.363 -0.988 1.00 13.25 C ATOM 90 O LYS A 7 -5.636 7.192 -0.768 1.00 34.22 O ATOM 91 CB LYS A 7 -4.765 9.549 -2.847 1.00 63.40 C ATOM 92 CG LYS A 7 -5.037 10.952 -3.361 1.00 35.34 C ATOM 93 CD LYS A 7 -3.748 11.683 -3.695 1.00 55.51 C ATOM 94 CE LYS A 7 -3.863 13.173 -3.410 1.00 51.11 C ATOM 95 NZ LYS A 7 -3.199 13.992 -4.462 1.00 31.21 N ATOM 96 H LYS A 7 -2.913 8.672 -1.303 1.00 52.33 H ATOM 97 HA LYS A 7 -5.207 10.364 -0.918 1.00 12.22 H ATOM 98 HB2 LYS A 7 -3.762 9.271 -3.136 1.00 22.52 H ATOM 99 HB3 LYS A 7 -5.466 8.873 -3.317 1.00 5.42 H ATOM 100 HG2 LYS A 7 -5.644 10.888 -4.252 1.00 20.33 H ATOM 101 HG3 LYS A 7 -5.569 11.506 -2.600 1.00 42.52 H ATOM 102 HD2 LYS A 7 -2.947 11.275 -3.098 1.00 30.03 H ATOM 103 HD3 LYS A 7 -3.526 11.542 -4.744 1.00 14.35 H ATOM 104 HE2 LYS A 7 -4.908 13.438 -3.366 1.00 12.51 H ATOM 105 HE3 LYS A 7 -3.399 13.381 -2.457 1.00 65.44 H ATOM 106 HZ1 LYS A 7 -3.742 13.944 -5.348 1.00 2.43 H ATOM 107 HZ2 LYS A 7 -2.238 13.636 -4.637 1.00 45.02 H ATOM 108 HZ3 LYS A 7 -3.139 14.984 -4.157 1.00 42.23 H ATOM 109 N PRO A 8 -7.217 8.787 -0.944 1.00 10.34 N ATOM 110 CA PRO A 8 -8.338 7.896 -0.633 1.00 35.14 C ATOM 111 C PRO A 8 -8.609 6.893 -1.749 1.00 24.11 C ATOM 112 O PRO A 8 -9.626 6.974 -2.436 1.00 54.14 O ATOM 113 CB PRO A 8 -9.521 8.855 -0.478 1.00 34.14 C ATOM 114 CG PRO A 8 -9.153 10.045 -1.294 1.00 54.41 C ATOM 115 CD PRO A 8 -7.658 10.170 -1.195 1.00 32.42 C ATOM 116 HA PRO A 8 -8.179 7.366 0.295 1.00 24.00 H ATOM 117 HB2 PRO A 8 -10.421 8.384 -0.848 1.00 30.42 H ATOM 118 HB3 PRO A 8 -9.646 9.114 0.563 1.00 21.51 H ATOM 119 HG2 PRO A 8 -9.450 9.892 -2.321 1.00 3.53 H ATOM 120 HG3 PRO A 8 -9.630 10.927 -0.892 1.00 42.30 H ATOM 121 HD2 PRO A 8 -7.248 10.543 -2.121 1.00 71.14 H ATOM 122 HD3 PRO A 8 -7.387 10.815 -0.373 1.00 0.44 H ATOM 123 N SER A 9 -7.691 5.947 -1.924 1.00 1.35 N ATOM 124 CA SER A 9 -7.829 4.930 -2.959 1.00 41.11 C ATOM 125 C SER A 9 -6.619 4.000 -2.972 1.00 52.52 C ATOM 126 O SER A 9 -6.186 3.541 -4.029 1.00 62.12 O ATOM 127 CB SER A 9 -7.996 5.587 -4.330 1.00 41.54 C ATOM 128 OG SER A 9 -9.069 5.004 -5.049 1.00 31.25 O ATOM 129 H SER A 9 -6.901 5.935 -1.343 1.00 42.53 H ATOM 130 HA SER A 9 -8.712 4.349 -2.738 1.00 0.42 H ATOM 131 HB2 SER A 9 -8.196 6.640 -4.200 1.00 52.02 H ATOM 132 HB3 SER A 9 -7.086 5.462 -4.900 1.00 34.40 H ATOM 133 HG SER A 9 -9.903 5.294 -4.671 1.00 44.42 H ATOM 134 N CYS A 10 -6.078 3.728 -1.790 1.00 21.44 N ATOM 135 CA CYS A 10 -4.918 2.854 -1.662 1.00 60.23 C ATOM 136 C CYS A 10 -5.312 1.512 -1.051 1.00 10.32 C ATOM 137 O CYS A 10 -4.460 0.662 -0.788 1.00 55.31 O ATOM 138 CB CYS A 10 -3.842 3.522 -0.804 1.00 21.41 C ATOM 139 SG CYS A 10 -2.875 4.793 -1.680 1.00 15.53 S ATOM 140 H CYS A 10 -6.468 4.124 -0.982 1.00 12.22 H ATOM 141 HA CYS A 10 -4.522 2.682 -2.651 1.00 63.14 H ATOM 142 HB2 CYS A 10 -4.313 3.995 0.046 1.00 65.23 H ATOM 143 HB3 CYS A 10 -3.153 2.768 -0.453 1.00 63.32 H ATOM 144 N THR A 11 -6.610 1.329 -0.826 1.00 65.35 N ATOM 145 CA THR A 11 -7.117 0.092 -0.246 1.00 12.35 C ATOM 146 C THR A 11 -6.634 -0.080 1.190 1.00 12.40 C ATOM 147 O THR A 11 -6.784 -1.148 1.782 1.00 54.25 O ATOM 148 CB THR A 11 -6.686 -1.135 -1.071 1.00 1.33 C ATOM 149 OG1 THR A 11 -6.776 -0.841 -2.469 1.00 53.13 O ATOM 150 CG2 THR A 11 -7.555 -2.340 -0.743 1.00 41.34 C ATOM 151 H THR A 11 -7.239 2.043 -1.057 1.00 51.41 H ATOM 152 HA THR A 11 -8.197 0.141 -0.249 1.00 25.13 H ATOM 153 HB THR A 11 -5.660 -1.372 -0.826 1.00 14.21 H ATOM 154 HG1 THR A 11 -6.060 -1.278 -2.935 1.00 64.43 H ATOM 155 HG21 THR A 11 -8.104 -2.637 -1.624 1.00 42.11 H ATOM 156 HG22 THR A 11 -8.249 -2.080 0.042 1.00 20.34 H ATOM 157 HG23 THR A 11 -6.929 -3.156 -0.416 1.00 71.51 H ATOM 158 N ASN A 12 -6.054 0.979 1.745 1.00 0.51 N ATOM 159 CA ASN A 12 -5.549 0.945 3.113 1.00 43.02 C ATOM 160 C ASN A 12 -4.903 2.275 3.488 1.00 43.43 C ATOM 161 O ASN A 12 -3.920 2.314 4.229 1.00 70.02 O ATOM 162 CB ASN A 12 -4.536 -0.190 3.276 1.00 32.31 C ATOM 163 CG ASN A 12 -3.541 -0.246 2.134 1.00 45.24 C ATOM 164 OD1 ASN A 12 -2.713 0.651 1.972 1.00 10.45 O ATOM 165 ND2 ASN A 12 -3.617 -1.303 1.333 1.00 3.14 N ATOM 166 H ASN A 12 -5.963 1.804 1.223 1.00 60.32 H ATOM 167 HA ASN A 12 -6.386 0.766 3.771 1.00 43.42 H ATOM 168 HB2 ASN A 12 -3.990 -0.048 4.197 1.00 1.42 H ATOM 169 HB3 ASN A 12 -5.063 -1.132 3.317 1.00 41.21 H ATOM 170 HD21 ASN A 12 -4.301 -1.978 1.522 1.00 33.52 H ATOM 171 HD22 ASN A 12 -2.985 -1.365 0.587 1.00 5.52 H ATOM 172 N CYS A 13 -5.462 3.365 2.971 1.00 22.43 N ATOM 173 CA CYS A 13 -4.942 4.698 3.251 1.00 62.40 C ATOM 174 C CYS A 13 -6.015 5.759 3.025 1.00 32.54 C ATOM 175 O CYS A 13 -6.144 6.712 3.776 1.00 11.25 O ATOM 176 CB CYS A 13 -3.727 4.990 2.368 1.00 70.52 C ATOM 177 SG CYS A 13 -2.428 5.966 3.190 1.00 4.40 S ATOM 178 H CYS A 13 -6.244 3.270 2.387 1.00 61.10 H ATOM 179 HA CYS A 13 -4.638 4.725 4.286 1.00 31.03 H ATOM 180 HB2 CYS A 13 -3.286 4.054 2.056 1.00 44.25 H ATOM 181 HB3 CYS A 13 -4.049 5.538 1.495 1.00 14.44 H HETATM 182 N NH2 A 14 -6.812 5.581 1.949 1.00 71.42 N HETATM 183 HN1 NH2 A 14 -7.534 6.247 1.753 1.00 53.42 H HETATM 184 HN2 NH2 A 14 -6.691 4.793 1.345 1.00 71.30 H TER 185 NH2 A 14 ENDMDL MODEL 18 ATOM 1 N MET A 1 2.166 0.322 -1.548 1.00 21.45 N ATOM 2 CA MET A 1 2.293 1.451 -0.597 1.00 3.31 C ATOM 3 C MET A 1 2.186 2.773 -1.329 1.00 51.31 C ATOM 4 O MET A 1 2.685 2.849 -2.452 1.00 45.51 O ATOM 5 CB MET A 1 3.609 1.395 0.238 1.00 61.44 C ATOM 6 CG MET A 1 3.527 2.126 1.611 1.00 53.11 C ATOM 7 SD MET A 1 3.674 0.967 3.023 1.00 65.22 S ATOM 8 CE MET A 1 1.969 0.498 3.461 1.00 63.10 C ATOM 9 H1 MET A 1 2.989 -0.371 -1.427 1.00 72.35 H ATOM 10 H2 MET A 1 1.276 -0.252 -1.341 1.00 12.45 H ATOM 11 H3 MET A 1 2.134 0.689 -2.533 1.00 75.22 H ATOM 12 HA MET A 1 1.446 1.397 0.110 1.00 55.54 H ATOM 13 HB2 MET A 1 3.856 0.335 0.415 1.00 20.40 H ATOM 14 HB3 MET A 1 4.427 1.819 -0.364 1.00 64.51 H ATOM 15 HG2 MET A 1 4.235 2.964 1.680 1.00 64.52 H ATOM 16 HG3 MET A 1 2.516 2.548 1.730 1.00 54.31 H ATOM 17 HE1 MET A 1 1.598 1.159 4.256 1.00 12.52 H ATOM 18 HE2 MET A 1 1.298 0.547 2.591 1.00 15.52 H ATOM 19 HE3 MET A 1 1.977 -0.534 3.842 1.00 71.30 H ATOM 20 N CYS A 2 1.564 3.792 -0.744 1.00 70.52 N ATOM 21 CA CYS A 2 1.429 5.086 -1.402 1.00 31.50 C ATOM 22 C CYS A 2 2.146 6.176 -0.611 1.00 20.54 C ATOM 23 O CYS A 2 1.526 7.070 -0.035 1.00 34.42 O ATOM 24 CB CYS A 2 -0.049 5.447 -1.565 1.00 21.43 C ATOM 25 SG CYS A 2 -1.080 4.089 -2.206 1.00 21.40 S ATOM 26 H CYS A 2 1.186 3.670 0.153 1.00 72.33 H ATOM 27 HA CYS A 2 1.882 5.010 -2.379 1.00 13.22 H ATOM 28 HB2 CYS A 2 -0.449 5.736 -0.604 1.00 22.24 H ATOM 29 HB3 CYS A 2 -0.135 6.277 -2.249 1.00 54.33 H ATOM 30 N PRO A 3 3.485 6.101 -0.581 1.00 11.14 N ATOM 31 CA PRO A 3 4.316 7.073 0.136 1.00 51.22 C ATOM 32 C PRO A 3 4.309 8.444 -0.531 1.00 43.51 C ATOM 33 O PRO A 3 4.517 9.475 0.111 1.00 71.55 O ATOM 34 CB PRO A 3 5.715 6.456 0.076 1.00 44.14 C ATOM 35 CG PRO A 3 5.695 5.588 -1.135 1.00 41.53 C ATOM 36 CD PRO A 3 4.291 5.062 -1.244 1.00 54.53 C ATOM 37 HA PRO A 3 4.009 7.174 1.167 1.00 42.04 H ATOM 38 HB2 PRO A 3 6.454 7.241 -0.012 1.00 21.53 H ATOM 39 HB3 PRO A 3 5.898 5.880 0.970 1.00 12.34 H ATOM 40 HG2 PRO A 3 5.946 6.171 -2.009 1.00 23.13 H ATOM 41 HG3 PRO A 3 6.392 4.772 -1.014 1.00 0.55 H ATOM 42 HD2 PRO A 3 4.006 4.957 -2.281 1.00 3.52 H ATOM 43 HD3 PRO A 3 4.201 4.118 -0.729 1.00 35.42 H ATOM 44 N PRO A 4 4.065 8.461 -1.850 1.00 31.11 N ATOM 45 CA PRO A 4 4.024 9.700 -2.632 1.00 63.01 C ATOM 46 C PRO A 4 2.809 10.558 -2.297 1.00 31.42 C ATOM 47 O PRO A 4 2.825 11.775 -2.483 1.00 10.21 O ATOM 48 CB PRO A 4 3.946 9.204 -4.078 1.00 45.22 C ATOM 49 CG PRO A 4 3.332 7.850 -3.982 1.00 0.41 C ATOM 50 CD PRO A 4 3.809 7.271 -2.679 1.00 13.12 C ATOM 51 HA PRO A 4 4.923 10.284 -2.498 1.00 23.43 H ATOM 52 HB2 PRO A 4 3.332 9.877 -4.660 1.00 2.44 H ATOM 53 HB3 PRO A 4 4.939 9.158 -4.501 1.00 31.14 H ATOM 54 HG2 PRO A 4 2.256 7.935 -3.984 1.00 30.43 H ATOM 55 HG3 PRO A 4 3.663 7.238 -4.807 1.00 64.14 H ATOM 56 HD2 PRO A 4 3.041 6.652 -2.238 1.00 65.10 H ATOM 57 HD3 PRO A 4 4.715 6.703 -2.827 1.00 43.25 H ATOM 58 N LEU A 5 1.756 9.916 -1.801 1.00 45.05 N ATOM 59 CA LEU A 5 0.532 10.621 -1.439 1.00 74.33 C ATOM 60 C LEU A 5 -0.524 9.648 -0.922 1.00 44.23 C ATOM 61 O LEU A 5 -0.991 8.776 -1.655 1.00 31.53 O ATOM 62 CB LEU A 5 -0.013 11.389 -2.644 1.00 55.15 C ATOM 63 CG LEU A 5 0.059 10.666 -3.990 1.00 11.30 C ATOM 64 CD1 LEU A 5 -1.333 10.491 -4.577 1.00 60.12 C ATOM 65 CD2 LEU A 5 0.956 11.427 -4.956 1.00 75.53 C ATOM 66 H LEU A 5 1.803 8.946 -1.676 1.00 21.42 H ATOM 67 HA LEU A 5 0.773 11.322 -0.654 1.00 53.15 H ATOM 68 HB2 LEU A 5 -1.049 11.620 -2.449 1.00 33.34 H ATOM 69 HB3 LEU A 5 0.548 12.309 -2.731 1.00 21.51 H ATOM 70 HG LEU A 5 0.484 9.683 -3.841 1.00 11.21 H ATOM 71 HD11 LEU A 5 -1.581 11.352 -5.178 1.00 53.51 H ATOM 72 HD12 LEU A 5 -2.051 10.391 -3.777 1.00 32.11 H ATOM 73 HD13 LEU A 5 -1.355 9.603 -5.193 1.00 4.43 H ATOM 74 HD21 LEU A 5 1.607 12.084 -4.401 1.00 3.21 H ATOM 75 HD22 LEU A 5 0.345 12.009 -5.630 1.00 41.14 H ATOM 76 HD23 LEU A 5 1.549 10.725 -5.524 1.00 64.21 H ATOM 77 N CYS A 6 -0.896 9.806 0.343 1.00 34.44 N ATOM 78 CA CYS A 6 -1.898 8.943 0.959 1.00 2.30 C ATOM 79 C CYS A 6 -3.302 9.327 0.501 1.00 41.12 C ATOM 80 O CYS A 6 -4.096 9.861 1.275 1.00 1.34 O ATOM 81 CB CYS A 6 -1.806 9.028 2.484 1.00 52.21 C ATOM 82 SG CYS A 6 -2.943 7.907 3.361 1.00 54.14 S ATOM 83 H CYS A 6 -0.488 10.520 0.877 1.00 25.33 H ATOM 84 HA CYS A 6 -1.697 7.929 0.651 1.00 62.40 H ATOM 85 HB2 CYS A 6 -0.800 8.780 2.791 1.00 54.23 H ATOM 86 HB3 CYS A 6 -2.033 10.037 2.795 1.00 53.10 H ATOM 87 N LYS A 7 -3.602 9.051 -0.764 1.00 25.31 N ATOM 88 CA LYS A 7 -4.909 9.365 -1.327 1.00 34.51 C ATOM 89 C LYS A 7 -5.911 8.254 -1.028 1.00 72.31 C ATOM 90 O LYS A 7 -5.544 7.111 -0.754 1.00 60.13 O ATOM 91 CB LYS A 7 -4.800 9.574 -2.839 1.00 23.40 C ATOM 92 CG LYS A 7 -4.846 11.033 -3.256 1.00 54.41 C ATOM 93 CD LYS A 7 -3.816 11.861 -2.507 1.00 24.35 C ATOM 94 CE LYS A 7 -3.287 13.002 -3.362 1.00 74.34 C ATOM 95 NZ LYS A 7 -2.254 13.800 -2.646 1.00 55.22 N ATOM 96 H LYS A 7 -2.926 8.624 -1.333 1.00 32.04 H ATOM 97 HA LYS A 7 -5.257 10.279 -0.870 1.00 23.31 H ATOM 98 HB2 LYS A 7 -3.866 9.152 -3.182 1.00 11.53 H ATOM 99 HB3 LYS A 7 -5.617 9.057 -3.322 1.00 24.21 H ATOM 100 HG2 LYS A 7 -4.646 11.103 -4.315 1.00 74.50 H ATOM 101 HG3 LYS A 7 -5.831 11.427 -3.047 1.00 73.53 H ATOM 102 HD2 LYS A 7 -4.273 12.273 -1.620 1.00 13.33 H ATOM 103 HD3 LYS A 7 -2.990 11.222 -2.224 1.00 55.11 H ATOM 104 HE2 LYS A 7 -2.853 12.590 -4.260 1.00 61.32 H ATOM 105 HE3 LYS A 7 -4.112 13.648 -3.625 1.00 43.25 H ATOM 106 HZ1 LYS A 7 -1.359 13.783 -3.175 1.00 12.21 H ATOM 107 HZ2 LYS A 7 -2.092 13.405 -1.698 1.00 14.44 H ATOM 108 HZ3 LYS A 7 -2.569 14.787 -2.549 1.00 60.44 H ATOM 109 N PRO A 8 -7.207 8.594 -1.083 1.00 14.35 N ATOM 110 CA PRO A 8 -8.288 7.639 -0.823 1.00 34.15 C ATOM 111 C PRO A 8 -8.416 6.593 -1.925 1.00 42.53 C ATOM 112 O PRO A 8 -9.393 6.583 -2.674 1.00 30.34 O ATOM 113 CB PRO A 8 -9.538 8.522 -0.776 1.00 31.44 C ATOM 114 CG PRO A 8 -9.191 9.713 -1.599 1.00 52.53 C ATOM 115 CD PRO A 8 -7.717 9.938 -1.403 1.00 15.14 C ATOM 116 HA PRO A 8 -8.160 7.143 0.129 1.00 43.44 H ATOM 117 HB2 PRO A 8 -10.378 7.983 -1.192 1.00 41.31 H ATOM 118 HB3 PRO A 8 -9.751 8.797 0.246 1.00 22.34 H ATOM 119 HG2 PRO A 8 -9.405 9.516 -2.639 1.00 12.53 H ATOM 120 HG3 PRO A 8 -9.750 10.572 -1.256 1.00 22.31 H ATOM 121 HD2 PRO A 8 -7.269 10.315 -2.310 1.00 22.12 H ATOM 122 HD3 PRO A 8 -7.546 10.620 -0.583 1.00 2.10 H ATOM 123 N SER A 9 -7.422 5.715 -2.020 1.00 13.54 N ATOM 124 CA SER A 9 -7.422 4.667 -3.034 1.00 10.54 C ATOM 125 C SER A 9 -6.149 3.830 -2.949 1.00 53.43 C ATOM 126 O SER A 9 -5.621 3.378 -3.966 1.00 12.14 O ATOM 127 CB SER A 9 -7.552 5.279 -4.430 1.00 11.43 C ATOM 128 OG SER A 9 -8.534 4.601 -5.194 1.00 43.23 O ATOM 129 H SER A 9 -6.670 5.776 -1.394 1.00 33.14 H ATOM 130 HA SER A 9 -8.272 4.028 -2.849 1.00 74.15 H ATOM 131 HB2 SER A 9 -7.836 6.317 -4.340 1.00 72.23 H ATOM 132 HB3 SER A 9 -6.603 5.209 -4.940 1.00 65.34 H ATOM 133 HG SER A 9 -8.552 3.675 -4.943 1.00 63.24 H ATOM 134 N CYS A 10 -5.661 3.628 -1.730 1.00 15.11 N ATOM 135 CA CYS A 10 -4.451 2.846 -1.510 1.00 43.32 C ATOM 136 C CYS A 10 -4.786 1.478 -0.923 1.00 43.14 C ATOM 137 O CYS A 10 -3.895 0.681 -0.627 1.00 44.31 O ATOM 138 CB CYS A 10 -3.498 3.595 -0.576 1.00 21.32 C ATOM 139 SG CYS A 10 -1.770 3.025 -0.665 1.00 2.44 S ATOM 140 H CYS A 10 -6.127 4.015 -0.958 1.00 73.40 H ATOM 141 HA CYS A 10 -3.968 2.706 -2.465 1.00 51.23 H ATOM 142 HB2 CYS A 10 -3.510 4.645 -0.828 1.00 12.21 H ATOM 143 HB3 CYS A 10 -3.834 3.470 0.443 1.00 3.40 H ATOM 144 N THR A 11 -6.078 1.211 -0.758 1.00 43.31 N ATOM 145 CA THR A 11 -6.531 -0.059 -0.206 1.00 73.15 C ATOM 146 C THR A 11 -6.111 -0.207 1.251 1.00 23.02 C ATOM 147 O THR A 11 -6.243 -1.279 1.839 1.00 31.43 O ATOM 148 CB THR A 11 -5.979 -1.250 -1.012 1.00 31.43 C ATOM 149 OG1 THR A 11 -6.023 -0.957 -2.413 1.00 32.33 O ATOM 150 CG2 THR A 11 -6.779 -2.513 -0.727 1.00 44.02 C ATOM 151 H THR A 11 -6.740 1.887 -1.013 1.00 74.41 H ATOM 152 HA THR A 11 -7.610 -0.082 -0.264 1.00 41.50 H ATOM 153 HB THR A 11 -4.953 -1.418 -0.719 1.00 25.41 H ATOM 154 HG1 THR A 11 -6.809 -0.440 -2.607 1.00 4.11 H ATOM 155 HG21 THR A 11 -7.736 -2.245 -0.308 1.00 15.03 H ATOM 156 HG22 THR A 11 -6.239 -3.131 -0.025 1.00 5.51 H ATOM 157 HG23 THR A 11 -6.928 -3.059 -1.647 1.00 30.24 H ATOM 158 N ASN A 12 -5.604 0.877 1.829 1.00 2.30 N ATOM 159 CA ASN A 12 -5.164 0.867 3.219 1.00 3.44 C ATOM 160 C ASN A 12 -4.574 2.218 3.613 1.00 43.32 C ATOM 161 O ASN A 12 -3.634 2.291 4.406 1.00 74.23 O ATOM 162 CB ASN A 12 -4.129 -0.238 3.441 1.00 42.42 C ATOM 163 CG ASN A 12 -4.442 -1.088 4.656 1.00 34.24 C ATOM 164 OD1 ASN A 12 -4.951 -2.203 4.534 1.00 44.24 O ATOM 165 ND2 ASN A 12 -4.140 -0.565 5.839 1.00 40.43 N ATOM 166 H ASN A 12 -5.523 1.704 1.308 1.00 33.53 H ATOM 167 HA ASN A 12 -6.026 0.670 3.838 1.00 2.14 H ATOM 168 HB2 ASN A 12 -4.106 -0.880 2.572 1.00 2.14 H ATOM 169 HB3 ASN A 12 -3.156 0.210 3.578 1.00 11.22 H ATOM 170 HD21 ASN A 12 -3.737 0.329 5.860 1.00 31.24 H ATOM 171 HD22 ASN A 12 -4.331 -1.093 6.641 1.00 35.32 H ATOM 172 N CYS A 13 -5.132 3.287 3.054 1.00 64.25 N ATOM 173 CA CYS A 13 -4.662 4.636 3.345 1.00 72.02 C ATOM 174 C CYS A 13 -5.745 5.667 3.039 1.00 33.40 C ATOM 175 O CYS A 13 -6.228 6.370 3.912 1.00 1.01 O ATOM 176 CB CYS A 13 -3.403 4.947 2.533 1.00 32.11 C ATOM 177 SG CYS A 13 -2.233 6.062 3.373 1.00 32.14 S ATOM 178 H CYS A 13 -5.878 3.165 2.429 1.00 41.24 H ATOM 179 HA CYS A 13 -4.423 4.685 4.396 1.00 32.52 H ATOM 180 HB2 CYS A 13 -2.883 4.024 2.323 1.00 63.21 H ATOM 181 HB3 CYS A 13 -3.690 5.412 1.602 1.00 54.03 H HETATM 182 N NH2 A 14 -6.137 5.754 1.749 1.00 54.11 N HETATM 183 HN1 NH2 A 14 -6.846 6.414 1.491 1.00 11.54 H HETATM 184 HN2 NH2 A 14 -5.730 5.169 1.048 1.00 51.04 H TER 185 NH2 A 14 ENDMDL MODEL 19 ATOM 1 N MET A 1 2.957 0.339 -0.723 1.00 22.45 N ATOM 2 CA MET A 1 2.167 1.366 -0.005 1.00 13.32 C ATOM 3 C MET A 1 2.116 2.650 -0.807 1.00 52.33 C ATOM 4 O MET A 1 2.668 2.661 -1.908 1.00 11.31 O ATOM 5 CB MET A 1 2.698 1.643 1.435 1.00 64.54 C ATOM 6 CG MET A 1 4.208 2.023 1.496 1.00 41.20 C ATOM 7 SD MET A 1 5.058 1.257 2.928 1.00 73.23 S ATOM 8 CE MET A 1 6.671 0.688 2.301 1.00 22.43 C ATOM 9 H1 MET A 1 2.426 -0.006 -1.600 1.00 34.30 H ATOM 10 H2 MET A 1 3.880 0.758 -1.093 1.00 31.15 H ATOM 11 H3 MET A 1 3.164 -0.466 -0.076 1.00 50.22 H ATOM 12 HA MET A 1 1.130 0.995 0.086 1.00 21.32 H ATOM 13 HB2 MET A 1 2.107 2.468 1.865 1.00 61.11 H ATOM 14 HB3 MET A 1 2.510 0.754 2.057 1.00 44.40 H ATOM 15 HG2 MET A 1 4.726 1.827 0.547 1.00 70.35 H ATOM 16 HG3 MET A 1 4.296 3.104 1.694 1.00 75.13 H ATOM 17 HE1 MET A 1 7.473 1.299 2.739 1.00 50.13 H ATOM 18 HE2 MET A 1 6.845 -0.374 2.531 1.00 61.11 H ATOM 19 HE3 MET A 1 6.689 0.819 1.209 1.00 1.50 H ATOM 20 N CYS A 2 1.485 3.706 -0.305 1.00 1.35 N ATOM 21 CA CYS A 2 1.403 4.967 -1.033 1.00 33.44 C ATOM 22 C CYS A 2 2.105 6.084 -0.267 1.00 10.22 C ATOM 23 O CYS A 2 1.477 7.015 0.237 1.00 14.15 O ATOM 24 CB CYS A 2 -0.060 5.343 -1.279 1.00 22.14 C ATOM 25 SG CYS A 2 -1.095 3.962 -1.861 1.00 60.14 S ATOM 26 H CYS A 2 1.064 3.636 0.579 1.00 51.44 H ATOM 27 HA CYS A 2 1.896 4.834 -1.983 1.00 72.44 H ATOM 28 HB2 CYS A 2 -0.489 5.708 -0.357 1.00 53.21 H ATOM 29 HB3 CYS A 2 -0.102 6.124 -2.024 1.00 32.53 H ATOM 30 N PRO A 3 3.440 5.991 -0.177 1.00 41.52 N ATOM 31 CA PRO A 3 4.257 6.986 0.524 1.00 23.14 C ATOM 32 C PRO A 3 4.301 8.322 -0.209 1.00 62.13 C ATOM 33 O PRO A 3 4.500 9.380 0.389 1.00 72.33 O ATOM 34 CB PRO A 3 5.647 6.346 0.553 1.00 24.25 C ATOM 35 CG PRO A 3 5.662 5.419 -0.613 1.00 2.02 C ATOM 36 CD PRO A 3 4.255 4.909 -0.754 1.00 53.03 C ATOM 37 HA PRO A 3 3.910 7.143 1.535 1.00 22.22 H ATOM 38 HB2 PRO A 3 6.402 7.114 0.458 1.00 22.14 H ATOM 39 HB3 PRO A 3 5.783 5.813 1.483 1.00 41.04 H ATOM 40 HG2 PRO A 3 5.959 5.953 -1.503 1.00 12.14 H ATOM 41 HG3 PRO A 3 6.340 4.600 -0.422 1.00 33.13 H ATOM 42 HD2 PRO A 3 4.012 4.756 -1.795 1.00 55.44 H ATOM 43 HD3 PRO A 3 4.128 3.993 -0.197 1.00 35.31 H ATOM 44 N PRO A 4 4.111 8.276 -1.536 1.00 64.23 N ATOM 45 CA PRO A 4 4.124 9.475 -2.380 1.00 31.41 C ATOM 46 C PRO A 4 2.910 10.366 -2.139 1.00 25.14 C ATOM 47 O PRO A 4 2.959 11.575 -2.370 1.00 63.34 O ATOM 48 CB PRO A 4 4.097 8.908 -3.802 1.00 1.13 C ATOM 49 CG PRO A 4 3.456 7.570 -3.664 1.00 44.23 C ATOM 50 CD PRO A 4 3.869 7.050 -2.315 1.00 63.23 C ATOM 51 HA PRO A 4 5.026 10.051 -2.237 1.00 65.31 H ATOM 52 HB2 PRO A 4 3.519 9.560 -4.441 1.00 13.32 H ATOM 53 HB3 PRO A 4 5.105 8.826 -4.179 1.00 61.14 H ATOM 54 HG2 PRO A 4 2.383 7.670 -3.715 1.00 51.03 H ATOM 55 HG3 PRO A 4 3.811 6.912 -4.444 1.00 11.11 H ATOM 56 HD2 PRO A 4 3.074 6.465 -1.877 1.00 3.01 H ATOM 57 HD3 PRO A 4 4.772 6.462 -2.398 1.00 35.24 H ATOM 58 N LEU A 5 1.823 9.763 -1.672 1.00 32.13 N ATOM 59 CA LEU A 5 0.596 10.503 -1.398 1.00 74.32 C ATOM 60 C LEU A 5 -0.509 9.567 -0.919 1.00 31.53 C ATOM 61 O LEU A 5 -0.919 8.653 -1.636 1.00 42.52 O ATOM 62 CB LEU A 5 0.138 11.251 -2.651 1.00 73.24 C ATOM 63 CG LEU A 5 0.254 10.485 -3.970 1.00 52.40 C ATOM 64 CD1 LEU A 5 -1.115 10.316 -4.611 1.00 43.24 C ATOM 65 CD2 LEU A 5 1.205 11.199 -4.919 1.00 41.52 C ATOM 66 H LEU A 5 1.844 8.798 -1.507 1.00 24.54 H ATOM 67 HA LEU A 5 0.808 11.219 -0.618 1.00 75.04 H ATOM 68 HB2 LEU A 5 -0.899 11.520 -2.516 1.00 24.33 H ATOM 69 HB3 LEU A 5 0.733 12.149 -2.735 1.00 71.04 H ATOM 70 HG LEU A 5 0.654 9.500 -3.773 1.00 54.11 H ATOM 71 HD11 LEU A 5 -1.468 11.274 -4.963 1.00 33.52 H ATOM 72 HD12 LEU A 5 -1.807 9.922 -3.883 1.00 33.33 H ATOM 73 HD13 LEU A 5 -1.040 9.632 -5.444 1.00 21.54 H ATOM 74 HD21 LEU A 5 1.850 11.856 -4.355 1.00 43.43 H ATOM 75 HD22 LEU A 5 0.635 11.778 -5.631 1.00 62.13 H ATOM 76 HD23 LEU A 5 1.804 10.470 -5.445 1.00 73.22 H ATOM 77 N CYS A 6 -0.989 9.801 0.298 1.00 31.40 N ATOM 78 CA CYS A 6 -2.048 8.980 0.874 1.00 41.32 C ATOM 79 C CYS A 6 -3.405 9.347 0.279 1.00 4.44 C ATOM 80 O CYS A 6 -4.262 9.911 0.960 1.00 23.24 O ATOM 81 CB CYS A 6 -2.082 9.149 2.394 1.00 35.41 C ATOM 82 SG CYS A 6 -3.280 8.063 3.235 1.00 2.42 S ATOM 83 H CYS A 6 -0.622 10.544 0.823 1.00 61.25 H ATOM 84 HA CYS A 6 -1.833 7.949 0.639 1.00 33.24 H ATOM 85 HB2 CYS A 6 -1.104 8.929 2.795 1.00 5.41 H ATOM 86 HB3 CYS A 6 -2.342 10.170 2.630 1.00 43.13 H ATOM 87 N LYS A 7 -3.593 9.024 -0.996 1.00 23.25 N ATOM 88 CA LYS A 7 -4.845 9.317 -1.683 1.00 44.11 C ATOM 89 C LYS A 7 -5.907 8.276 -1.346 1.00 13.21 C ATOM 90 O LYS A 7 -5.605 7.128 -1.020 1.00 43.03 O ATOM 91 CB LYS A 7 -4.621 9.361 -3.196 1.00 41.34 C ATOM 92 CG LYS A 7 -4.623 10.767 -3.771 1.00 14.42 C ATOM 93 CD LYS A 7 -3.592 11.650 -3.088 1.00 52.42 C ATOM 94 CE LYS A 7 -4.251 12.795 -2.334 1.00 4.24 C ATOM 95 NZ LYS A 7 -3.302 13.917 -2.090 1.00 53.35 N ATOM 96 H LYS A 7 -2.872 8.576 -1.486 1.00 65.41 H ATOM 97 HA LYS A 7 -5.187 10.285 -1.350 1.00 33.10 H ATOM 98 HB2 LYS A 7 -3.668 8.905 -3.421 1.00 32.21 H ATOM 99 HB3 LYS A 7 -5.404 8.796 -3.681 1.00 32.04 H ATOM 100 HG2 LYS A 7 -4.396 10.716 -4.825 1.00 52.42 H ATOM 101 HG3 LYS A 7 -5.604 11.201 -3.632 1.00 43.23 H ATOM 102 HD2 LYS A 7 -3.025 11.053 -2.390 1.00 10.21 H ATOM 103 HD3 LYS A 7 -2.929 12.059 -3.837 1.00 64.03 H ATOM 104 HE2 LYS A 7 -5.084 13.159 -2.914 1.00 54.30 H ATOM 105 HE3 LYS A 7 -4.608 12.425 -1.384 1.00 63.51 H ATOM 106 HZ1 LYS A 7 -2.325 13.562 -2.071 1.00 33.14 H ATOM 107 HZ2 LYS A 7 -3.513 14.372 -1.179 1.00 74.10 H ATOM 108 HZ3 LYS A 7 -3.387 14.627 -2.846 1.00 63.52 H ATOM 109 N PRO A 8 -7.183 8.684 -1.426 1.00 63.33 N ATOM 110 CA PRO A 8 -8.316 7.800 -1.135 1.00 42.53 C ATOM 111 C PRO A 8 -8.493 6.717 -2.193 1.00 62.24 C ATOM 112 O PRO A 8 -9.447 6.745 -2.971 1.00 21.34 O ATOM 113 CB PRO A 8 -9.516 8.751 -1.137 1.00 61.32 C ATOM 114 CG PRO A 8 -9.099 9.885 -2.008 1.00 52.40 C ATOM 115 CD PRO A 8 -7.617 10.038 -1.808 1.00 43.11 C ATOM 116 HA PRO A 8 -8.220 7.340 -0.163 1.00 15.23 H ATOM 117 HB2 PRO A 8 -10.381 8.241 -1.538 1.00 10.23 H ATOM 118 HB3 PRO A 8 -9.720 9.081 -0.130 1.00 21.22 H ATOM 119 HG2 PRO A 8 -9.317 9.656 -3.040 1.00 23.41 H ATOM 120 HG3 PRO A 8 -9.612 10.787 -1.707 1.00 33.44 H ATOM 121 HD2 PRO A 8 -7.142 10.351 -2.727 1.00 32.55 H ATOM 122 HD3 PRO A 8 -7.413 10.745 -1.017 1.00 34.31 H ATOM 123 N SER A 9 -7.568 5.763 -2.217 1.00 64.32 N ATOM 124 CA SER A 9 -7.620 4.671 -3.183 1.00 10.15 C ATOM 125 C SER A 9 -6.413 3.751 -3.028 1.00 62.02 C ATOM 126 O SER A 9 -5.889 3.225 -4.011 1.00 22.25 O ATOM 127 CB SER A 9 -7.675 5.225 -4.608 1.00 22.43 C ATOM 128 OG SER A 9 -6.815 6.342 -4.754 1.00 71.54 O ATOM 129 H SER A 9 -6.831 5.796 -1.571 1.00 62.54 H ATOM 130 HA SER A 9 -8.518 4.103 -2.992 1.00 20.54 H ATOM 131 HB2 SER A 9 -7.369 4.457 -5.302 1.00 23.45 H ATOM 132 HB3 SER A 9 -8.686 5.531 -4.833 1.00 50.41 H ATOM 133 HG SER A 9 -7.131 6.897 -5.471 1.00 21.02 H ATOM 134 N CYS A 10 -5.976 3.561 -1.788 1.00 11.53 N ATOM 135 CA CYS A 10 -4.831 2.706 -1.502 1.00 3.01 C ATOM 136 C CYS A 10 -5.272 1.420 -0.808 1.00 3.50 C ATOM 137 O CYS A 10 -4.444 0.597 -0.415 1.00 42.55 O ATOM 138 CB CYS A 10 -3.818 3.449 -0.628 1.00 33.11 C ATOM 139 SG CYS A 10 -2.975 4.825 -1.473 1.00 13.33 S ATOM 140 H CYS A 10 -6.436 4.008 -1.045 1.00 44.51 H ATOM 141 HA CYS A 10 -4.364 2.452 -2.441 1.00 60.52 H ATOM 142 HB2 CYS A 10 -4.328 3.856 0.233 1.00 11.02 H ATOM 143 HB3 CYS A 10 -3.062 2.753 -0.296 1.00 42.32 H ATOM 144 N THR A 11 -6.582 1.254 -0.660 1.00 33.11 N ATOM 145 CA THR A 11 -7.134 0.070 -0.013 1.00 51.12 C ATOM 146 C THR A 11 -6.763 0.028 1.465 1.00 63.53 C ATOM 147 O THR A 11 -6.974 -0.980 2.138 1.00 11.25 O ATOM 148 CB THR A 11 -6.642 -1.222 -0.692 1.00 43.10 C ATOM 149 OG1 THR A 11 -6.628 -1.053 -2.114 1.00 23.50 O ATOM 150 CG2 THR A 11 -7.532 -2.399 -0.325 1.00 30.45 C ATOM 151 H THR A 11 -7.192 1.945 -0.994 1.00 5.14 H ATOM 152 HA THR A 11 -8.210 0.112 -0.103 1.00 61.21 H ATOM 153 HB THR A 11 -5.637 -1.429 -0.352 1.00 32.13 H ATOM 154 HG1 THR A 11 -7.524 -1.114 -2.452 1.00 73.34 H ATOM 155 HG21 THR A 11 -7.068 -2.968 0.467 1.00 3.32 H ATOM 156 HG22 THR A 11 -7.668 -3.032 -1.189 1.00 42.13 H ATOM 157 HG23 THR A 11 -8.492 -2.034 0.009 1.00 21.42 H ATOM 158 N ASN A 12 -6.209 1.128 1.963 1.00 44.12 N ATOM 159 CA ASN A 12 -5.808 1.216 3.362 1.00 22.13 C ATOM 160 C ASN A 12 -5.155 2.563 3.658 1.00 60.23 C ATOM 161 O ASN A 12 -4.236 2.655 4.472 1.00 32.44 O ATOM 162 CB ASN A 12 -4.842 0.081 3.710 1.00 40.31 C ATOM 163 CG ASN A 12 -3.809 -0.151 2.625 1.00 64.34 C ATOM 164 OD1 ASN A 12 -2.916 0.670 2.416 1.00 43.21 O ATOM 165 ND2 ASN A 12 -3.926 -1.275 1.927 1.00 30.21 N ATOM 166 H ASN A 12 -6.065 1.900 1.376 1.00 74.54 H ATOM 167 HA ASN A 12 -6.696 1.119 3.968 1.00 31.20 H ATOM 168 HB2 ASN A 12 -4.324 0.325 4.626 1.00 13.42 H ATOM 169 HB3 ASN A 12 -5.402 -0.831 3.850 1.00 53.22 H ATOM 170 HD21 ASN A 12 -4.662 -1.883 2.149 1.00 74.14 H ATOM 171 HD22 ASN A 12 -3.271 -1.451 1.220 1.00 60.12 H ATOM 172 N CYS A 13 -5.636 3.606 2.991 1.00 52.35 N ATOM 173 CA CYS A 13 -5.101 4.949 3.180 1.00 10.05 C ATOM 174 C CYS A 13 -6.095 6.003 2.702 1.00 43.54 C ATOM 175 O CYS A 13 -6.394 6.117 1.524 1.00 61.34 O ATOM 176 CB CYS A 13 -3.776 5.103 2.431 1.00 52.31 C ATOM 177 SG CYS A 13 -2.578 6.200 3.256 1.00 15.21 S ATOM 178 H CYS A 13 -6.370 3.470 2.354 1.00 41.22 H ATOM 179 HA CYS A 13 -4.926 5.090 4.236 1.00 1.41 H ATOM 180 HB2 CYS A 13 -3.314 4.132 2.328 1.00 13.03 H ATOM 181 HB3 CYS A 13 -3.972 5.509 1.449 1.00 22.52 H HETATM 182 N NH2 A 14 -6.622 6.802 3.656 1.00 51.15 N HETATM 183 HN1 NH2 A 14 -7.280 7.512 3.397 1.00 14.41 H HETATM 184 HN2 NH2 A 14 -6.365 6.694 4.616 1.00 44.02 H TER 185 NH2 A 14 ENDMDL MODEL 20 ATOM 1 N MET A 1 2.293 0.255 -1.238 1.00 51.23 N ATOM 2 CA MET A 1 2.322 1.412 -0.313 1.00 23.05 C ATOM 3 C MET A 1 2.233 2.711 -1.087 1.00 4.34 C ATOM 4 O MET A 1 2.741 2.747 -2.208 1.00 4.02 O ATOM 5 CB MET A 1 3.576 1.413 0.615 1.00 53.33 C ATOM 6 CG MET A 1 3.443 2.331 1.867 1.00 44.33 C ATOM 7 SD MET A 1 3.963 1.483 3.406 1.00 65.43 S ATOM 8 CE MET A 1 5.662 0.898 3.101 1.00 40.13 C ATOM 9 H1 MET A 1 1.529 0.391 -1.993 1.00 43.01 H ATOM 10 H2 MET A 1 3.222 0.178 -1.781 1.00 2.30 H ATOM 11 H3 MET A 1 2.122 -0.630 -0.695 1.00 51.03 H ATOM 12 HA MET A 1 1.428 1.353 0.333 1.00 34.42 H ATOM 13 HB2 MET A 1 3.753 0.378 0.951 1.00 1.24 H ATOM 14 HB3 MET A 1 4.453 1.713 0.022 1.00 63.23 H ATOM 15 HG2 MET A 1 3.948 3.298 1.730 1.00 65.14 H ATOM 16 HG3 MET A 1 2.376 2.546 2.040 1.00 44.31 H ATOM 17 HE1 MET A 1 5.742 0.516 2.073 1.00 13.51 H ATOM 18 HE2 MET A 1 6.402 1.697 3.260 1.00 73.22 H ATOM 19 HE3 MET A 1 5.879 0.073 3.796 1.00 12.52 H ATOM 20 N CYS A 2 1.618 3.754 -0.538 1.00 70.44 N ATOM 21 CA CYS A 2 1.501 5.028 -1.237 1.00 73.55 C ATOM 22 C CYS A 2 2.222 6.135 -0.474 1.00 52.05 C ATOM 23 O CYS A 2 1.605 7.054 0.066 1.00 65.22 O ATOM 24 CB CYS A 2 0.028 5.397 -1.424 1.00 12.12 C ATOM 25 SG CYS A 2 -1.019 4.017 -1.988 1.00 14.40 S ATOM 26 H CYS A 2 1.232 3.664 0.359 1.00 25.11 H ATOM 27 HA CYS A 2 1.961 4.917 -2.208 1.00 13.44 H ATOM 28 HB2 CYS A 2 -0.370 5.746 -0.482 1.00 3.32 H ATOM 29 HB3 CYS A 2 -0.047 6.188 -2.155 1.00 52.04 H ATOM 30 N PRO A 3 3.559 6.048 -0.429 1.00 25.43 N ATOM 31 CA PRO A 3 4.394 7.034 0.264 1.00 31.33 C ATOM 32 C PRO A 3 4.409 8.383 -0.447 1.00 34.44 C ATOM 33 O PRO A 3 4.621 9.431 0.163 1.00 24.34 O ATOM 34 CB PRO A 3 5.787 6.400 0.238 1.00 2.31 C ATOM 35 CG PRO A 3 5.769 5.494 -0.944 1.00 43.22 C ATOM 36 CD PRO A 3 4.360 4.980 -1.050 1.00 64.43 C ATOM 37 HA PRO A 3 4.078 7.171 1.288 1.00 3.11 H ATOM 38 HB2 PRO A 3 6.535 7.174 0.133 1.00 61.20 H ATOM 39 HB3 PRO A 3 5.955 5.852 1.153 1.00 54.01 H ATOM 40 HG2 PRO A 3 6.035 6.045 -1.833 1.00 42.33 H ATOM 41 HG3 PRO A 3 6.456 4.675 -0.789 1.00 42.31 H ATOM 42 HD2 PRO A 3 4.085 4.844 -2.086 1.00 1.13 H ATOM 43 HD3 PRO A 3 4.255 4.053 -0.505 1.00 61.05 H ATOM 44 N PRO A 4 4.177 8.359 -1.768 1.00 32.15 N ATOM 45 CA PRO A 4 4.157 9.572 -2.590 1.00 1.32 C ATOM 46 C PRO A 4 2.948 10.453 -2.294 1.00 41.33 C ATOM 47 O PRO A 4 2.985 11.666 -2.505 1.00 14.43 O ATOM 48 CB PRO A 4 4.087 9.031 -4.020 1.00 25.32 C ATOM 49 CG PRO A 4 3.457 7.687 -3.886 1.00 4.42 C ATOM 50 CD PRO A 4 3.915 7.146 -2.560 1.00 64.40 C ATOM 51 HA PRO A 4 5.061 10.150 -2.466 1.00 2.34 H ATOM 52 HB2 PRO A 4 3.486 9.691 -4.629 1.00 1.24 H ATOM 53 HB3 PRO A 4 5.083 8.960 -4.431 1.00 2.22 H ATOM 54 HG2 PRO A 4 2.382 7.783 -3.901 1.00 24.12 H ATOM 55 HG3 PRO A 4 3.790 7.045 -4.688 1.00 33.12 H ATOM 56 HD2 PRO A 4 3.137 6.549 -2.107 1.00 3.20 H ATOM 57 HD3 PRO A 4 4.817 6.564 -2.681 1.00 61.44 H ATOM 58 N LEU A 5 1.878 9.836 -1.805 1.00 50.44 N ATOM 59 CA LEU A 5 0.657 10.565 -1.480 1.00 52.20 C ATOM 60 C LEU A 5 -0.429 9.615 -0.985 1.00 71.15 C ATOM 61 O LEU A 5 -0.858 8.715 -1.709 1.00 12.35 O ATOM 62 CB LEU A 5 0.158 11.335 -2.704 1.00 13.42 C ATOM 63 CG LEU A 5 0.238 10.597 -4.040 1.00 75.33 C ATOM 64 CD1 LEU A 5 -1.149 10.431 -4.642 1.00 51.54 C ATOM 65 CD2 LEU A 5 1.155 11.335 -5.004 1.00 11.31 C ATOM 66 H LEU A 5 1.909 8.868 -1.659 1.00 53.32 H ATOM 67 HA LEU A 5 0.890 11.267 -0.693 1.00 54.23 H ATOM 68 HB2 LEU A 5 -0.875 11.596 -2.532 1.00 12.24 H ATOM 69 HB3 LEU A 5 0.746 12.238 -2.788 1.00 0.22 H ATOM 70 HG LEU A 5 0.649 9.610 -3.875 1.00 52.32 H ATOM 71 HD11 LEU A 5 -1.796 9.946 -3.928 1.00 14.53 H ATOM 72 HD12 LEU A 5 -1.084 9.829 -5.536 1.00 61.32 H ATOM 73 HD13 LEU A 5 -1.551 11.403 -4.892 1.00 70.43 H ATOM 74 HD21 LEU A 5 1.813 11.986 -4.447 1.00 61.43 H ATOM 75 HD22 LEU A 5 0.560 11.924 -5.687 1.00 20.40 H ATOM 76 HD23 LEU A 5 1.742 10.620 -5.562 1.00 74.10 H ATOM 77 N CYS A 6 -0.871 9.822 0.250 1.00 31.24 N ATOM 78 CA CYS A 6 -1.908 8.985 0.842 1.00 13.52 C ATOM 79 C CYS A 6 -3.284 9.360 0.299 1.00 14.05 C ATOM 80 O CYS A 6 -4.124 9.897 1.022 1.00 53.21 O ATOM 81 CB CYS A 6 -1.895 9.121 2.366 1.00 4.40 C ATOM 82 SG CYS A 6 -3.054 8.007 3.222 1.00 25.23 S ATOM 83 H CYS A 6 -0.490 10.555 0.778 1.00 1.44 H ATOM 84 HA CYS A 6 -1.698 7.960 0.579 1.00 11.01 H ATOM 85 HB2 CYS A 6 -0.901 8.904 2.730 1.00 30.42 H ATOM 86 HB3 CYS A 6 -2.155 10.135 2.632 1.00 54.12 H ATOM 87 N LYS A 7 -3.509 9.072 -0.978 1.00 44.42 N ATOM 88 CA LYS A 7 -4.782 9.377 -1.619 1.00 74.43 C ATOM 89 C LYS A 7 -5.834 8.331 -1.263 1.00 13.23 C ATOM 90 O LYS A 7 -5.522 7.177 -0.968 1.00 14.34 O ATOM 91 CB LYS A 7 -4.609 9.443 -3.138 1.00 51.54 C ATOM 92 CG LYS A 7 -4.632 10.858 -3.692 1.00 35.25 C ATOM 93 CD LYS A 7 -3.584 11.734 -3.027 1.00 22.10 C ATOM 94 CE LYS A 7 -4.217 12.736 -2.074 1.00 53.45 C ATOM 95 NZ LYS A 7 -3.392 13.969 -1.937 1.00 75.40 N ATOM 96 H LYS A 7 -2.800 8.644 -1.503 1.00 63.10 H ATOM 97 HA LYS A 7 -5.113 10.339 -1.260 1.00 41.45 H ATOM 98 HB2 LYS A 7 -3.664 8.992 -3.401 1.00 63.01 H ATOM 99 HB3 LYS A 7 -5.407 8.884 -3.605 1.00 33.14 H ATOM 100 HG2 LYS A 7 -4.437 10.823 -4.753 1.00 4.11 H ATOM 101 HG3 LYS A 7 -5.609 11.286 -3.518 1.00 14.44 H ATOM 102 HD2 LYS A 7 -2.903 11.107 -2.471 1.00 30.13 H ATOM 103 HD3 LYS A 7 -3.039 12.271 -3.791 1.00 32.31 H ATOM 104 HE2 LYS A 7 -5.192 13.006 -2.452 1.00 44.02 H ATOM 105 HE3 LYS A 7 -4.323 12.274 -1.104 1.00 61.12 H ATOM 106 HZ1 LYS A 7 -3.999 14.812 -1.984 1.00 20.02 H ATOM 107 HZ2 LYS A 7 -2.691 14.016 -2.704 1.00 30.14 H ATOM 108 HZ3 LYS A 7 -2.893 13.964 -1.025 1.00 43.12 H ATOM 109 N PRO A 8 -7.111 8.741 -1.291 1.00 50.50 N ATOM 110 CA PRO A 8 -8.235 7.855 -0.975 1.00 63.44 C ATOM 111 C PRO A 8 -8.451 6.789 -2.045 1.00 2.41 C ATOM 112 O PRO A 8 -9.437 6.826 -2.780 1.00 71.24 O ATOM 113 CB PRO A 8 -9.432 8.806 -0.919 1.00 15.13 C ATOM 114 CG PRO A 8 -9.045 9.955 -1.784 1.00 42.01 C ATOM 115 CD PRO A 8 -7.556 10.103 -1.634 1.00 61.31 C ATOM 116 HA PRO A 8 -8.106 7.378 -0.015 1.00 20.33 H ATOM 117 HB2 PRO A 8 -10.312 8.304 -1.297 1.00 51.40 H ATOM 118 HB3 PRO A 8 -9.600 9.119 0.101 1.00 53.12 H ATOM 119 HG2 PRO A 8 -9.299 9.743 -2.811 1.00 50.25 H ATOM 120 HG3 PRO A 8 -9.545 10.852 -1.449 1.00 75.54 H ATOM 121 HD2 PRO A 8 -7.114 10.430 -2.563 1.00 44.32 H ATOM 122 HD3 PRO A 8 -7.324 10.795 -0.839 1.00 3.34 H ATOM 123 N SER A 9 -7.523 5.841 -2.125 1.00 45.55 N ATOM 124 CA SER A 9 -7.610 4.767 -3.108 1.00 11.42 C ATOM 125 C SER A 9 -6.398 3.846 -3.015 1.00 45.10 C ATOM 126 O SER A 9 -5.914 3.333 -4.025 1.00 33.23 O ATOM 127 CB SER A 9 -7.718 5.346 -4.520 1.00 10.53 C ATOM 128 OG SER A 9 -8.755 4.716 -5.252 1.00 11.45 O ATOM 129 H SER A 9 -6.759 5.867 -1.511 1.00 32.10 H ATOM 130 HA SER A 9 -8.500 4.194 -2.894 1.00 10.40 H ATOM 131 HB2 SER A 9 -7.929 6.403 -4.458 1.00 3.25 H ATOM 132 HB3 SER A 9 -6.783 5.196 -5.040 1.00 71.40 H ATOM 133 HG SER A 9 -8.832 3.801 -4.974 1.00 72.41 H ATOM 134 N CYS A 10 -5.910 3.641 -1.796 1.00 33.10 N ATOM 135 CA CYS A 10 -4.754 2.783 -1.569 1.00 30.45 C ATOM 136 C CYS A 10 -5.170 1.475 -0.902 1.00 34.42 C ATOM 137 O CYS A 10 -4.330 0.637 -0.573 1.00 61.51 O ATOM 138 CB CYS A 10 -3.720 3.503 -0.701 1.00 52.41 C ATOM 139 SG CYS A 10 -2.887 4.892 -1.536 1.00 71.42 S ATOM 140 H CYS A 10 -6.339 4.078 -1.030 1.00 2.15 H ATOM 141 HA CYS A 10 -4.313 2.559 -2.528 1.00 21.32 H ATOM 142 HB2 CYS A 10 -4.210 3.896 0.178 1.00 54.31 H ATOM 143 HB3 CYS A 10 -2.961 2.798 -0.398 1.00 61.31 H ATOM 144 N THR A 11 -6.474 1.306 -0.705 1.00 33.10 N ATOM 145 CA THR A 11 -7.003 0.102 -0.077 1.00 70.53 C ATOM 146 C THR A 11 -6.565 0.003 1.379 1.00 2.14 C ATOM 147 O THR A 11 -6.748 -1.029 2.024 1.00 41.40 O ATOM 148 CB THR A 11 -6.550 -1.167 -0.825 1.00 1.23 C ATOM 149 OG1 THR A 11 -6.599 -0.946 -2.239 1.00 32.13 O ATOM 150 CG2 THR A 11 -7.430 -2.353 -0.460 1.00 62.05 C ATOM 151 H THR A 11 -7.094 2.010 -0.989 1.00 34.34 H ATOM 152 HA THR A 11 -8.082 0.151 -0.116 1.00 44.12 H ATOM 153 HB THR A 11 -5.532 -1.391 -0.538 1.00 52.12 H ATOM 154 HG1 THR A 11 -5.721 -1.060 -2.611 1.00 54.52 H ATOM 155 HG21 THR A 11 -7.864 -2.768 -1.358 1.00 1.52 H ATOM 156 HG22 THR A 11 -8.218 -2.027 0.203 1.00 45.14 H ATOM 157 HG23 THR A 11 -6.833 -3.106 0.032 1.00 21.11 H ATOM 158 N ASN A 12 -5.986 1.084 1.893 1.00 64.43 N ATOM 159 CA ASN A 12 -5.521 1.118 3.275 1.00 52.43 C ATOM 160 C ASN A 12 -4.858 2.455 3.592 1.00 25.02 C ATOM 161 O ASN A 12 -3.902 2.518 4.366 1.00 22.10 O ATOM 162 CB ASN A 12 -4.539 -0.026 3.533 1.00 3.34 C ATOM 163 CG ASN A 12 -4.860 -0.787 4.805 1.00 61.21 C ATOM 164 OD1 ASN A 12 -4.578 -0.321 5.909 1.00 61.01 O ATOM 165 ND2 ASN A 12 -5.453 -1.966 4.655 1.00 42.13 N ATOM 166 H ASN A 12 -5.867 1.876 1.329 1.00 52.42 H ATOM 167 HA ASN A 12 -6.381 0.995 3.916 1.00 24.02 H ATOM 168 HB2 ASN A 12 -4.575 -0.717 2.704 1.00 24.21 H ATOM 169 HB3 ASN A 12 -3.541 0.377 3.619 1.00 64.35 H ATOM 170 HD21 ASN A 12 -5.647 -2.274 3.745 1.00 72.13 H ATOM 171 HD22 ASN A 12 -5.672 -2.479 5.460 1.00 34.11 H ATOM 172 N CYS A 13 -5.371 3.522 2.990 1.00 53.22 N ATOM 173 CA CYS A 13 -4.830 4.858 3.207 1.00 10.32 C ATOM 174 C CYS A 13 -5.848 5.927 2.821 1.00 51.24 C ATOM 175 O CYS A 13 -5.996 6.943 3.481 1.00 3.02 O ATOM 176 CB CYS A 13 -3.544 5.048 2.401 1.00 61.25 C ATOM 177 SG CYS A 13 -2.328 6.153 3.188 1.00 73.31 S ATOM 178 H CYS A 13 -6.134 3.409 2.383 1.00 22.52 H ATOM 179 HA CYS A 13 -4.604 4.958 4.258 1.00 65.22 H ATOM 180 HB2 CYS A 13 -3.071 4.087 2.261 1.00 62.41 H ATOM 181 HB3 CYS A 13 -3.791 5.465 1.436 1.00 74.34 H HETATM 182 N NH2 A 14 -6.575 5.684 1.708 1.00 65.54 N HETATM 183 HN1 NH2 A 14 -7.258 6.352 1.407 1.00 11.22 H HETATM 184 HN2 NH2 A 14 -6.439 4.845 1.179 1.00 12.24 H TER 185 NH2 A 14 ENDMDL CONECT 25 139 CONECT 82 177 CONECT 139 25 CONECT 174 182 CONECT 177 82 CONECT 182 174 183 184 CONECT 183 182 CONECT 184 182 MASTER 141 0 1 0 0 0 0 6 92 1 8 2 END