HEADER TOXIN 16-JAN-11 SMS20128 TITLE SOLUTION STRUCTURE OF CONOTOXIN QC16A COMPND MOL_ID: 1; COMPND 2 MOLECULE: CONOTOXIN QC16A; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SYNTHETIC PEPTIDE KEYWDS TOXIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR J.HONG,D.LIN JRNL AUTH J.HONG,D.LIN JRNL TITL SOLUTION STRUCTURE OF CONOTOXIN QC16A JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 12-APR-11. REMARK 100 THE BMRB ID CODE IS SMS20128. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 3.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 4 MM CONOTOXIN QC16A, 90 % H2O, REMARK 210 10 % D2O, 90% H2O/10% D2O; 4 MM REMARK 210 CONOTOXIN QC16A, 100 % D2O, 100% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY NO.1; 2D 1H-1H REMARK 210 NOESY NO.1; 2D 1H-1H TOCSY NO.2; REMARK 210 2D 1H-1H NOESY NO.2 REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : SPARKY 3.11, ARIA 2.2, CNS 1.1, REMARK 210 NMRPIPE REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 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 ASN A 8 -67.42 -175.15 REMARK 500 1 VAL A 9 48.57 -170.19 REMARK 500 2 PRO A 4 105.35 -59.82 REMARK 500 2 ASN A 8 -70.45 -173.72 REMARK 500 2 VAL A 9 54.76 -165.83 REMARK 500 3 ASN A 8 -69.79 -163.30 REMARK 500 3 VAL A 9 53.19 -158.62 REMARK 500 4 ASN A 8 -55.42 -176.25 REMARK 500 4 VAL A 9 54.16 -168.82 REMARK 500 5 ASN A 8 -62.97 -150.61 REMARK 500 5 VAL A 9 48.32 -166.43 REMARK 500 6 CYS A 5 -105.38 -123.66 REMARK 500 6 ASN A 8 -58.17 -166.70 REMARK 500 6 VAL A 9 48.05 -156.03 REMARK 500 7 ASN A 8 -62.92 175.56 REMARK 500 7 VAL A 9 46.49 -164.36 REMARK 500 8 ASN A 8 -61.72 179.10 REMARK 500 8 VAL A 9 47.10 -163.76 REMARK 500 9 ASN A 8 -65.82 -172.02 REMARK 500 9 VAL A 9 45.76 -164.43 REMARK 500 10 ASN A 8 -66.83 -163.23 REMARK 500 10 VAL A 9 49.01 -170.17 REMARK 500 11 PRO A 4 105.50 -49.97 REMARK 500 11 CYS A 5 -159.88 -90.13 REMARK 500 11 ASN A 8 -64.94 -179.05 REMARK 500 11 VAL A 9 45.42 -154.24 REMARK 500 12 ASN A 8 -68.33 175.04 REMARK 500 12 VAL A 9 46.82 -161.31 REMARK 500 13 CYS A 5 44.45 -105.56 REMARK 500 13 HIS A 7 -70.01 -138.89 REMARK 500 13 ASN A 8 -51.52 -164.03 REMARK 500 13 VAL A 9 49.58 -161.74 REMARK 500 14 ASN A 8 -59.07 -168.96 REMARK 500 14 VAL A 9 51.82 -160.28 REMARK 500 15 HIS A 7 -80.49 -85.79 REMARK 500 15 ASN A 8 -51.72 -139.15 REMARK 500 15 VAL A 9 57.02 -174.41 REMARK 500 16 CYS A 5 -157.48 -122.16 REMARK 500 16 HIS A 7 -79.89 -83.55 REMARK 500 16 ASN A 8 -65.27 -135.16 REMARK 500 16 VAL A 9 49.24 -157.89 REMARK 500 17 ASN A 8 -57.20 -179.14 REMARK 500 17 VAL A 9 53.48 -162.20 REMARK 500 18 ASN A 8 -64.83 -173.79 REMARK 500 18 VAL A 9 47.48 -166.38 REMARK 500 19 CYS A 5 -102.02 -100.83 REMARK 500 19 ASN A 8 -62.41 -172.72 REMARK 500 19 VAL A 9 45.96 -162.78 REMARK 500 20 ASN A 8 -62.25 -159.54 REMARK 500 20 VAL A 9 46.01 -151.60 REMARK 500 REMARK 500 REMARK: NULL DBREF A 1 11 BMRB SMS20128 SMS20128 1 11 SEQRES 1 A 11 ASP CYS GLN PRO CYS GLY HIS ASN VAL CYS CYS SSBOND 1 CYS A 2 CYS A 11 1555 1555 2.03 SSBOND 2 CYS A 5 CYS A 10 1555 1555 2.03 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N ASP A 1 7.889 1.283 -3.023 1.00 1.83 N ATOM 2 CA ASP A 1 8.735 0.521 -2.077 1.00 1.46 C ATOM 3 C ASP A 1 7.889 -0.129 -0.985 1.00 1.18 C ATOM 4 O ASP A 1 8.227 -1.197 -0.478 1.00 1.61 O ATOM 5 CB ASP A 1 9.772 1.441 -1.439 1.00 2.14 C ATOM 6 CG ASP A 1 9.143 2.471 -0.528 1.00 2.80 C ATOM 7 OD1 ASP A 1 8.364 3.308 -1.021 1.00 3.39 O ATOM 8 OD2 ASP A 1 9.412 2.434 0.692 1.00 3.29 O ATOM 9 H1 ASP A 1 7.148 0.666 -3.423 1.00 2.38 H ATOM 10 H2 ASP A 1 8.474 1.656 -3.803 1.00 2.20 H ATOM 11 H3 ASP A 1 7.434 2.085 -2.535 1.00 2.13 H ATOM 12 HA ASP A 1 9.243 -0.257 -2.629 1.00 1.80 H ATOM 13 HB2 ASP A 1 10.463 0.848 -0.858 1.00 2.50 H ATOM 14 HB3 ASP A 1 10.316 1.960 -2.217 1.00 2.65 H ATOM 15 N CYS A 2 6.788 0.513 -0.619 1.00 0.68 N ATOM 16 CA CYS A 2 5.936 -0.007 0.434 1.00 0.44 C ATOM 17 C CYS A 2 4.885 -0.938 -0.164 1.00 0.33 C ATOM 18 O CYS A 2 4.529 -0.816 -1.341 1.00 0.57 O ATOM 19 CB CYS A 2 5.267 1.139 1.197 1.00 0.46 C ATOM 20 SG CYS A 2 4.545 0.647 2.802 1.00 0.79 S ATOM 21 H CYS A 2 6.538 1.353 -1.069 1.00 0.80 H ATOM 22 HA CYS A 2 6.556 -0.572 1.114 1.00 0.59 H ATOM 23 HB2 CYS A 2 6.001 1.908 1.390 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.474 1.550 0.590 1.00 0.43 H ATOM 25 N GLN A 3 4.412 -1.873 0.648 1.00 0.38 N ATOM 26 CA GLN A 3 3.469 -2.886 0.193 1.00 0.40 C ATOM 27 C GLN A 3 2.064 -2.315 0.050 1.00 0.29 C ATOM 28 O GLN A 3 1.518 -1.742 0.993 1.00 0.39 O ATOM 29 CB GLN A 3 3.446 -4.056 1.173 1.00 0.65 C ATOM 30 CG GLN A 3 4.773 -4.787 1.282 1.00 1.47 C ATOM 31 CD GLN A 3 4.729 -5.914 2.293 1.00 2.09 C ATOM 32 OE1 GLN A 3 4.396 -7.052 1.958 1.00 2.58 O ATOM 33 NE2 GLN A 3 5.073 -5.612 3.533 1.00 2.85 N ATOM 34 H GLN A 3 4.695 -1.875 1.587 1.00 0.62 H ATOM 35 HA GLN A 3 3.801 -3.242 -0.772 1.00 0.47 H ATOM 36 HB2 GLN A 3 3.181 -3.686 2.151 1.00 1.26 H ATOM 37 HB3 GLN A 3 2.698 -4.762 0.850 1.00 1.21 H ATOM 38 HG2 GLN A 3 5.025 -5.202 0.316 1.00 2.06 H ATOM 39 HG3 GLN A 3 5.535 -4.082 1.580 1.00 2.10 H ATOM 40 HE21 GLN A 3 5.337 -4.684 3.729 1.00 3.08 H ATOM 41 HE22 GLN A 3 5.035 -6.324 4.216 1.00 3.46 H ATOM 42 N PRO A 4 1.477 -2.452 -1.149 1.00 0.26 N ATOM 43 CA PRO A 4 0.081 -2.091 -1.401 1.00 0.29 C ATOM 44 C PRO A 4 -0.860 -2.817 -0.448 1.00 0.28 C ATOM 45 O PRO A 4 -0.874 -4.045 -0.397 1.00 0.40 O ATOM 46 CB PRO A 4 -0.144 -2.559 -2.839 1.00 0.42 C ATOM 47 CG PRO A 4 1.199 -2.506 -3.449 1.00 0.47 C ATOM 48 CD PRO A 4 2.135 -2.953 -2.366 1.00 0.38 C ATOM 49 HA PRO A 4 -0.075 -1.025 -1.333 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.529 -3.563 -2.839 1.00 0.43 H ATOM 51 HB3 PRO A 4 -0.834 -1.897 -3.340 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.250 -3.172 -4.297 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.416 -1.499 -3.743 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.208 -4.030 -2.349 1.00 0.45 H ATOM 55 HD3 PRO A 4 3.107 -2.503 -2.492 1.00 0.43 H ATOM 56 N CYS A 5 -1.646 -2.058 0.295 1.00 0.29 N ATOM 57 CA CYS A 5 -2.459 -2.623 1.368 1.00 0.34 C ATOM 58 C CYS A 5 -3.831 -3.059 0.876 1.00 0.44 C ATOM 59 O CYS A 5 -4.508 -3.852 1.533 1.00 1.18 O ATOM 60 CB CYS A 5 -2.625 -1.607 2.481 1.00 0.40 C ATOM 61 SG CYS A 5 -3.434 -0.064 1.950 1.00 0.51 S ATOM 62 H CYS A 5 -1.684 -1.097 0.120 1.00 0.38 H ATOM 63 HA CYS A 5 -1.938 -3.479 1.761 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.224 -2.046 3.262 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.654 -1.356 2.877 1.00 0.49 H ATOM 66 N GLY A 6 -4.249 -2.536 -0.267 1.00 0.43 N ATOM 67 CA GLY A 6 -5.565 -2.853 -0.775 1.00 0.42 C ATOM 68 C GLY A 6 -6.259 -1.643 -1.357 1.00 0.31 C ATOM 69 O GLY A 6 -6.814 -1.706 -2.456 1.00 0.49 O ATOM 70 H GLY A 6 -3.657 -1.939 -0.778 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.476 -3.613 -1.540 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.163 -3.240 0.035 1.00 0.48 H ATOM 73 N HIS A 7 -6.213 -0.530 -0.633 1.00 0.28 N ATOM 74 CA HIS A 7 -6.892 0.683 -1.076 1.00 0.32 C ATOM 75 C HIS A 7 -6.059 1.406 -2.124 1.00 0.31 C ATOM 76 O HIS A 7 -6.595 1.982 -3.067 1.00 0.55 O ATOM 77 CB HIS A 7 -7.204 1.607 0.109 1.00 0.47 C ATOM 78 CG HIS A 7 -8.272 1.068 1.015 1.00 1.15 C ATOM 79 ND1 HIS A 7 -8.265 1.236 2.382 1.00 1.86 N ATOM 80 CD2 HIS A 7 -9.393 0.362 0.734 1.00 2.02 C ATOM 81 CE1 HIS A 7 -9.327 0.651 2.902 1.00 2.52 C ATOM 82 NE2 HIS A 7 -10.029 0.116 1.925 1.00 2.62 N ATOM 83 H HIS A 7 -5.704 -0.523 0.211 1.00 0.44 H ATOM 84 HA HIS A 7 -7.824 0.384 -1.531 1.00 0.39 H ATOM 85 HB2 HIS A 7 -6.308 1.747 0.696 1.00 0.82 H ATOM 86 HB3 HIS A 7 -7.535 2.565 -0.268 1.00 0.98 H ATOM 87 HD1 HIS A 7 -7.575 1.717 2.903 1.00 2.24 H ATOM 88 HD2 HIS A 7 -9.726 0.049 -0.246 1.00 2.53 H ATOM 89 HE1 HIS A 7 -9.583 0.622 3.951 1.00 3.21 H ATOM 90 HE2 HIS A 7 -10.822 -0.463 2.043 1.00 3.33 H ATOM 91 N ASN A 8 -4.745 1.348 -1.953 1.00 0.24 N ATOM 92 CA ASN A 8 -3.797 1.916 -2.906 1.00 0.30 C ATOM 93 C ASN A 8 -2.381 1.566 -2.462 1.00 0.29 C ATOM 94 O ASN A 8 -1.688 0.779 -3.109 1.00 0.41 O ATOM 95 CB ASN A 8 -3.968 3.440 -3.013 1.00 0.37 C ATOM 96 CG ASN A 8 -3.096 4.076 -4.088 1.00 0.95 C ATOM 97 OD1 ASN A 8 -1.988 3.622 -4.374 1.00 1.54 O ATOM 98 ND2 ASN A 8 -3.599 5.132 -4.702 1.00 1.71 N ATOM 99 H ASN A 8 -4.395 0.903 -1.157 1.00 0.37 H ATOM 100 HA ASN A 8 -3.982 1.466 -3.869 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.997 3.661 -3.244 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.716 3.886 -2.062 1.00 0.73 H ATOM 103 HD21 ASN A 8 -4.494 5.439 -4.445 1.00 2.11 H ATOM 104 HD22 ASN A 8 -3.045 5.574 -5.389 1.00 2.15 H ATOM 105 N VAL A 9 -1.974 2.135 -1.340 1.00 0.20 N ATOM 106 CA VAL A 9 -0.670 1.855 -0.758 1.00 0.26 C ATOM 107 C VAL A 9 -0.599 2.469 0.644 1.00 0.23 C ATOM 108 O VAL A 9 0.348 3.165 1.009 1.00 0.34 O ATOM 109 CB VAL A 9 0.480 2.359 -1.671 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.433 3.872 -1.861 1.00 0.65 C ATOM 111 CG2 VAL A 9 1.842 1.909 -1.148 1.00 0.73 C ATOM 112 H VAL A 9 -2.567 2.785 -0.890 1.00 0.19 H ATOM 113 HA VAL A 9 -0.578 0.782 -0.667 1.00 0.30 H ATOM 114 HB VAL A 9 0.338 1.907 -2.642 1.00 0.64 H ATOM 115 HG11 VAL A 9 1.250 4.181 -2.498 1.00 1.16 H ATOM 116 HG12 VAL A 9 0.523 4.358 -0.900 1.00 1.30 H ATOM 117 HG13 VAL A 9 -0.505 4.147 -2.318 1.00 1.09 H ATOM 118 HG21 VAL A 9 2.619 2.294 -1.791 1.00 1.17 H ATOM 119 HG22 VAL A 9 1.884 0.828 -1.135 1.00 1.33 H ATOM 120 HG23 VAL A 9 1.987 2.286 -0.144 1.00 1.40 H ATOM 121 N CYS A 10 -1.634 2.206 1.432 1.00 0.18 N ATOM 122 CA CYS A 10 -1.710 2.737 2.785 1.00 0.28 C ATOM 123 C CYS A 10 -0.770 1.974 3.705 1.00 0.38 C ATOM 124 O CYS A 10 -0.351 2.487 4.743 1.00 0.60 O ATOM 125 CB CYS A 10 -3.144 2.650 3.311 1.00 0.33 C ATOM 126 SG CYS A 10 -3.710 0.955 3.682 1.00 0.44 S ATOM 127 H CYS A 10 -2.375 1.643 1.095 1.00 0.18 H ATOM 128 HA CYS A 10 -1.408 3.774 2.753 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.221 3.227 4.219 1.00 0.48 H ATOM 130 HB3 CYS A 10 -3.812 3.062 2.571 1.00 0.35 H ATOM 131 N CYS A 11 -0.441 0.750 3.298 1.00 0.44 N ATOM 132 CA CYS A 11 0.442 -0.132 4.055 1.00 0.64 C ATOM 133 C CYS A 11 -0.156 -0.449 5.428 1.00 1.15 C ATOM 134 O CYS A 11 -1.012 -1.355 5.500 1.00 1.79 O ATOM 135 CB CYS A 11 1.834 0.497 4.187 1.00 0.65 C ATOM 136 SG CYS A 11 2.560 1.012 2.590 1.00 0.87 S ATOM 137 OXT CYS A 11 0.199 0.226 6.419 1.00 1.79 O ATOM 138 H CYS A 11 -0.812 0.425 2.457 1.00 0.49 H ATOM 139 HA CYS A 11 0.529 -1.056 3.503 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.774 1.372 4.819 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.505 -0.220 4.636 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 2 ATOM 1 N ASP A 1 9.871 1.896 -2.151 1.00 1.83 N ATOM 2 CA ASP A 1 8.604 1.140 -2.293 1.00 1.46 C ATOM 3 C ASP A 1 8.012 0.816 -0.934 1.00 1.18 C ATOM 4 O ASP A 1 8.728 0.736 0.064 1.00 1.61 O ATOM 5 CB ASP A 1 8.823 -0.162 -3.064 1.00 2.14 C ATOM 6 CG ASP A 1 9.079 0.071 -4.534 1.00 2.80 C ATOM 7 OD1 ASP A 1 8.133 0.469 -5.251 1.00 3.39 O ATOM 8 OD2 ASP A 1 10.225 -0.133 -4.979 1.00 3.29 O ATOM 9 H1 ASP A 1 9.696 2.795 -1.655 1.00 2.20 H ATOM 10 H2 ASP A 1 10.281 2.102 -3.085 1.00 2.13 H ATOM 11 H3 ASP A 1 10.559 1.338 -1.597 1.00 2.38 H ATOM 12 HA ASP A 1 7.903 1.758 -2.837 1.00 1.80 H ATOM 13 HB2 ASP A 1 9.678 -0.674 -2.650 1.00 2.50 H ATOM 14 HB3 ASP A 1 7.949 -0.788 -2.962 1.00 2.65 H ATOM 15 N CYS A 2 6.705 0.618 -0.906 1.00 0.68 N ATOM 16 CA CYS A 2 6.015 0.240 0.316 1.00 0.44 C ATOM 17 C CYS A 2 5.028 -0.887 0.008 1.00 0.33 C ATOM 18 O CYS A 2 5.114 -1.517 -1.050 1.00 0.57 O ATOM 19 CB CYS A 2 5.300 1.454 0.922 1.00 0.46 C ATOM 20 SG CYS A 2 4.779 1.226 2.657 1.00 0.79 S ATOM 21 H CYS A 2 6.187 0.722 -1.735 1.00 0.80 H ATOM 22 HA CYS A 2 6.753 -0.123 1.018 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.960 2.306 0.887 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.417 1.667 0.338 1.00 0.43 H ATOM 25 N GLN A 3 4.097 -1.140 0.915 1.00 0.38 N ATOM 26 CA GLN A 3 3.208 -2.285 0.799 1.00 0.40 C ATOM 27 C GLN A 3 1.819 -1.882 0.306 1.00 0.29 C ATOM 28 O GLN A 3 1.116 -1.103 0.956 1.00 0.39 O ATOM 29 CB GLN A 3 3.088 -2.991 2.153 1.00 0.65 C ATOM 30 CG GLN A 3 2.233 -4.245 2.108 1.00 1.47 C ATOM 31 CD GLN A 3 2.802 -5.302 1.186 1.00 2.09 C ATOM 32 OE1 GLN A 3 4.017 -5.403 1.009 1.00 2.58 O ATOM 33 NE2 GLN A 3 1.929 -6.082 0.579 1.00 2.85 N ATOM 34 H GLN A 3 3.993 -0.529 1.681 1.00 0.62 H ATOM 35 HA GLN A 3 3.643 -2.970 0.087 1.00 0.47 H ATOM 36 HB2 GLN A 3 4.075 -3.268 2.492 1.00 1.26 H ATOM 37 HB3 GLN A 3 2.649 -2.306 2.865 1.00 1.21 H ATOM 38 HG2 GLN A 3 2.165 -4.658 3.102 1.00 2.06 H ATOM 39 HG3 GLN A 3 1.246 -3.978 1.760 1.00 2.10 H ATOM 40 HE21 GLN A 3 0.971 -5.933 0.754 1.00 3.08 H ATOM 41 HE22 GLN A 3 2.268 -6.791 -0.011 1.00 3.46 H ATOM 42 N PRO A 4 1.415 -2.398 -0.867 1.00 0.26 N ATOM 43 CA PRO A 4 0.029 -2.323 -1.339 1.00 0.29 C ATOM 44 C PRO A 4 -0.908 -3.016 -0.356 1.00 0.28 C ATOM 45 O PRO A 4 -0.946 -4.241 -0.276 1.00 0.40 O ATOM 46 CB PRO A 4 0.068 -3.081 -2.670 1.00 0.42 C ATOM 47 CG PRO A 4 1.474 -2.966 -3.105 1.00 0.47 C ATOM 48 CD PRO A 4 2.278 -3.078 -1.844 1.00 0.38 C ATOM 49 HA PRO A 4 -0.285 -1.304 -1.502 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.208 -4.108 -2.514 1.00 0.43 H ATOM 51 HB3 PRO A 4 -0.605 -2.619 -3.377 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.721 -3.767 -3.790 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.628 -2.012 -3.565 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.424 -4.113 -1.577 1.00 0.45 H ATOM 55 HD3 PRO A 4 3.225 -2.568 -1.945 1.00 0.43 H ATOM 56 N CYS A 5 -1.649 -2.226 0.399 1.00 0.29 N ATOM 57 CA CYS A 5 -2.463 -2.761 1.479 1.00 0.34 C ATOM 58 C CYS A 5 -3.858 -3.127 1.009 1.00 0.44 C ATOM 59 O CYS A 5 -4.539 -3.939 1.638 1.00 1.18 O ATOM 60 CB CYS A 5 -2.553 -1.746 2.601 1.00 0.40 C ATOM 61 SG CYS A 5 -3.258 -0.142 2.099 1.00 0.51 S ATOM 62 H CYS A 5 -1.649 -1.263 0.228 1.00 0.38 H ATOM 63 HA CYS A 5 -1.980 -3.642 1.857 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.172 -2.154 3.384 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.563 -1.566 2.988 1.00 0.49 H ATOM 66 N GLY A 6 -4.285 -2.545 -0.098 1.00 0.43 N ATOM 67 CA GLY A 6 -5.626 -2.791 -0.573 1.00 0.42 C ATOM 68 C GLY A 6 -6.278 -1.551 -1.139 1.00 0.31 C ATOM 69 O GLY A 6 -6.949 -1.612 -2.169 1.00 0.49 O ATOM 70 H GLY A 6 -3.680 -1.963 -0.613 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.592 -3.553 -1.338 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.217 -3.148 0.253 1.00 0.48 H ATOM 73 N HIS A 7 -6.074 -0.419 -0.478 1.00 0.28 N ATOM 74 CA HIS A 7 -6.700 0.827 -0.914 1.00 0.32 C ATOM 75 C HIS A 7 -5.848 1.494 -1.984 1.00 0.31 C ATOM 76 O HIS A 7 -6.364 2.024 -2.966 1.00 0.55 O ATOM 77 CB HIS A 7 -6.913 1.771 0.278 1.00 0.47 C ATOM 78 CG HIS A 7 -7.840 1.215 1.326 1.00 1.15 C ATOM 79 ND1 HIS A 7 -7.586 1.297 2.678 1.00 1.86 N ATOM 80 CD2 HIS A 7 -9.025 0.567 1.212 1.00 2.02 C ATOM 81 CE1 HIS A 7 -8.568 0.723 3.347 1.00 2.52 C ATOM 82 NE2 HIS A 7 -9.455 0.273 2.481 1.00 2.62 N ATOM 83 H HIS A 7 -5.487 -0.419 0.311 1.00 0.44 H ATOM 84 HA HIS A 7 -7.659 0.580 -1.342 1.00 0.39 H ATOM 85 HB2 HIS A 7 -5.962 1.968 0.747 1.00 0.82 H ATOM 86 HB3 HIS A 7 -7.334 2.701 -0.079 1.00 0.98 H ATOM 87 HD1 HIS A 7 -6.801 1.726 3.099 1.00 2.24 H ATOM 88 HD2 HIS A 7 -9.535 0.325 0.290 1.00 2.53 H ATOM 89 HE1 HIS A 7 -8.632 0.632 4.421 1.00 3.21 H ATOM 90 HE2 HIS A 7 -10.194 -0.341 2.705 1.00 3.33 H ATOM 91 N ASN A 8 -4.541 1.431 -1.793 1.00 0.24 N ATOM 92 CA ASN A 8 -3.576 1.974 -2.743 1.00 0.30 C ATOM 93 C ASN A 8 -2.179 1.594 -2.291 1.00 0.29 C ATOM 94 O ASN A 8 -1.517 0.750 -2.893 1.00 0.41 O ATOM 95 CB ASN A 8 -3.680 3.505 -2.842 1.00 0.37 C ATOM 96 CG ASN A 8 -2.816 4.089 -3.953 1.00 0.95 C ATOM 97 OD1 ASN A 8 -1.836 3.485 -4.395 1.00 1.54 O ATOM 98 ND2 ASN A 8 -3.156 5.288 -4.390 1.00 1.71 N ATOM 99 H ASN A 8 -4.208 0.985 -0.990 1.00 0.37 H ATOM 100 HA ASN A 8 -3.770 1.534 -3.712 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.707 3.776 -3.035 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.368 3.940 -1.906 1.00 0.73 H ATOM 103 HD21 ASN A 8 -3.928 5.730 -3.977 1.00 2.11 H ATOM 104 HD22 ASN A 8 -2.623 5.688 -5.111 1.00 2.15 H ATOM 105 N VAL A 9 -1.752 2.210 -1.202 1.00 0.20 N ATOM 106 CA VAL A 9 -0.457 1.929 -0.614 1.00 0.26 C ATOM 107 C VAL A 9 -0.409 2.522 0.796 1.00 0.23 C ATOM 108 O VAL A 9 0.458 3.323 1.143 1.00 0.34 O ATOM 109 CB VAL A 9 0.696 2.456 -1.512 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.619 3.966 -1.701 1.00 0.65 C ATOM 111 CG2 VAL A 9 2.057 2.041 -0.968 1.00 0.73 C ATOM 112 H VAL A 9 -2.320 2.894 -0.789 1.00 0.19 H ATOM 113 HA VAL A 9 -0.360 0.854 -0.540 1.00 0.30 H ATOM 114 HB VAL A 9 0.580 1.998 -2.484 1.00 0.64 H ATOM 115 HG11 VAL A 9 1.438 4.293 -2.323 1.00 1.16 H ATOM 116 HG12 VAL A 9 0.678 4.452 -0.738 1.00 1.30 H ATOM 117 HG13 VAL A 9 -0.317 4.222 -2.177 1.00 1.09 H ATOM 118 HG21 VAL A 9 2.836 2.444 -1.597 1.00 1.17 H ATOM 119 HG22 VAL A 9 2.126 0.963 -0.953 1.00 1.33 H ATOM 120 HG23 VAL A 9 2.172 2.424 0.035 1.00 1.40 H ATOM 121 N CYS A 10 -1.385 2.139 1.612 1.00 0.18 N ATOM 122 CA CYS A 10 -1.449 2.625 2.985 1.00 0.28 C ATOM 123 C CYS A 10 -0.496 1.823 3.861 1.00 0.38 C ATOM 124 O CYS A 10 -0.114 2.259 4.946 1.00 0.60 O ATOM 125 CB CYS A 10 -2.880 2.535 3.520 1.00 0.33 C ATOM 126 SG CYS A 10 -3.462 0.840 3.862 1.00 0.44 S ATOM 127 H CYS A 10 -2.077 1.509 1.290 1.00 0.18 H ATOM 128 HA CYS A 10 -1.135 3.659 2.986 1.00 0.41 H ATOM 129 HB2 CYS A 10 -2.951 3.095 4.438 1.00 0.48 H ATOM 130 HB3 CYS A 10 -3.547 2.967 2.791 1.00 0.35 H ATOM 131 N CYS A 11 -0.120 0.648 3.357 1.00 0.44 N ATOM 132 CA CYS A 11 0.855 -0.221 4.007 1.00 0.64 C ATOM 133 C CYS A 11 0.355 -0.689 5.372 1.00 1.15 C ATOM 134 O CYS A 11 0.798 -0.144 6.403 1.00 1.79 O ATOM 135 CB CYS A 11 2.200 0.505 4.126 1.00 0.65 C ATOM 136 SG CYS A 11 2.752 1.265 2.562 1.00 0.87 S ATOM 137 OXT CYS A 11 -0.482 -1.618 5.410 1.00 1.79 O ATOM 138 H CYS A 11 -0.510 0.357 2.514 1.00 0.49 H ATOM 139 HA CYS A 11 0.984 -1.089 3.376 1.00 1.05 H ATOM 140 HB2 CYS A 11 2.115 1.290 4.863 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.957 -0.199 4.438 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 3 ATOM 1 N ASP A 1 8.895 2.760 0.304 1.00 1.83 N ATOM 2 CA ASP A 1 8.498 1.499 -0.357 1.00 1.46 C ATOM 3 C ASP A 1 7.614 0.681 0.568 1.00 1.18 C ATOM 4 O ASP A 1 8.085 0.108 1.550 1.00 1.61 O ATOM 5 CB ASP A 1 9.737 0.693 -0.748 1.00 2.14 C ATOM 6 CG ASP A 1 10.603 1.432 -1.744 1.00 2.80 C ATOM 7 OD1 ASP A 1 11.235 2.436 -1.359 1.00 3.29 O ATOM 8 OD2 ASP A 1 10.651 1.022 -2.919 1.00 3.39 O ATOM 9 H1 ASP A 1 8.049 3.259 0.660 1.00 2.20 H ATOM 10 H2 ASP A 1 9.388 3.379 -0.373 1.00 2.13 H ATOM 11 H3 ASP A 1 9.529 2.557 1.107 1.00 2.38 H ATOM 12 HA ASP A 1 7.939 1.744 -1.249 1.00 1.80 H ATOM 13 HB2 ASP A 1 10.323 0.492 0.136 1.00 2.50 H ATOM 14 HB3 ASP A 1 9.427 -0.242 -1.190 1.00 2.65 H ATOM 15 N CYS A 2 6.329 0.657 0.262 1.00 0.68 N ATOM 16 CA CYS A 2 5.358 -0.060 1.066 1.00 0.44 C ATOM 17 C CYS A 2 4.510 -0.969 0.182 1.00 0.33 C ATOM 18 O CYS A 2 4.235 -0.645 -0.976 1.00 0.57 O ATOM 19 CB CYS A 2 4.471 0.942 1.805 1.00 0.46 C ATOM 20 SG CYS A 2 3.191 0.183 2.853 1.00 0.79 S ATOM 21 H CYS A 2 6.013 1.153 -0.531 1.00 0.80 H ATOM 22 HA CYS A 2 5.894 -0.660 1.784 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.090 1.560 2.440 1.00 0.67 H ATOM 24 HB3 CYS A 2 3.973 1.568 1.081 1.00 0.43 H ATOM 25 N GLN A 3 4.117 -2.110 0.727 1.00 0.38 N ATOM 26 CA GLN A 3 3.293 -3.069 0.008 1.00 0.40 C ATOM 27 C GLN A 3 1.830 -2.643 0.005 1.00 0.29 C ATOM 28 O GLN A 3 1.284 -2.233 1.034 1.00 0.39 O ATOM 29 CB GLN A 3 3.427 -4.451 0.645 1.00 0.65 C ATOM 30 CG GLN A 3 4.813 -5.056 0.504 1.00 1.47 C ATOM 31 CD GLN A 3 5.202 -5.294 -0.942 1.00 2.09 C ATOM 32 OE1 GLN A 3 4.350 -5.546 -1.796 1.00 2.58 O ATOM 33 NE2 GLN A 3 6.491 -5.223 -1.230 1.00 2.85 N ATOM 34 H GLN A 3 4.392 -2.317 1.651 1.00 0.62 H ATOM 35 HA GLN A 3 3.643 -3.116 -1.011 1.00 0.47 H ATOM 36 HB2 GLN A 3 3.198 -4.374 1.696 1.00 1.26 H ATOM 37 HB3 GLN A 3 2.718 -5.117 0.178 1.00 1.21 H ATOM 38 HG2 GLN A 3 5.532 -4.383 0.946 1.00 2.06 H ATOM 39 HG3 GLN A 3 4.835 -6.000 1.027 1.00 2.10 H ATOM 40 HE21 GLN A 3 7.119 -5.019 -0.499 1.00 3.08 H ATOM 41 HE22 GLN A 3 6.771 -5.372 -2.159 1.00 3.46 H ATOM 42 N PRO A 4 1.194 -2.718 -1.175 1.00 0.26 N ATOM 43 CA PRO A 4 -0.234 -2.441 -1.343 1.00 0.29 C ATOM 44 C PRO A 4 -1.086 -3.187 -0.325 1.00 0.28 C ATOM 45 O PRO A 4 -1.044 -4.418 -0.239 1.00 0.40 O ATOM 46 CB PRO A 4 -0.510 -2.946 -2.756 1.00 0.42 C ATOM 47 CG PRO A 4 0.769 -2.740 -3.463 1.00 0.47 C ATOM 48 CD PRO A 4 1.831 -3.072 -2.456 1.00 0.38 C ATOM 49 HA PRO A 4 -0.442 -1.384 -1.286 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.767 -3.987 -2.722 1.00 0.43 H ATOM 51 HB3 PRO A 4 -1.311 -2.379 -3.204 1.00 0.51 H ATOM 52 HG2 PRO A 4 0.832 -3.400 -4.318 1.00 0.57 H ATOM 53 HG3 PRO A 4 0.849 -1.717 -3.768 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.067 -4.124 -2.490 1.00 0.45 H ATOM 55 HD3 PRO A 4 2.717 -2.477 -2.625 1.00 0.43 H ATOM 56 N CYS A 5 -1.864 -2.432 0.433 1.00 0.29 N ATOM 57 CA CYS A 5 -2.624 -2.979 1.549 1.00 0.34 C ATOM 58 C CYS A 5 -4.007 -3.444 1.121 1.00 0.44 C ATOM 59 O CYS A 5 -4.580 -4.347 1.727 1.00 1.18 O ATOM 60 CB CYS A 5 -2.763 -1.921 2.627 1.00 0.40 C ATOM 61 SG CYS A 5 -3.552 -0.382 2.046 1.00 0.51 S ATOM 62 H CYS A 5 -1.925 -1.480 0.240 1.00 0.38 H ATOM 63 HA CYS A 5 -2.080 -3.812 1.957 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.358 -2.321 3.431 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.782 -1.671 3.003 1.00 0.49 H ATOM 66 N GLY A 6 -4.539 -2.843 0.069 1.00 0.43 N ATOM 67 CA GLY A 6 -5.903 -3.124 -0.320 1.00 0.42 C ATOM 68 C GLY A 6 -6.573 -1.923 -0.943 1.00 0.31 C ATOM 69 O GLY A 6 -7.300 -2.052 -1.925 1.00 0.49 O ATOM 70 H GLY A 6 -3.994 -2.227 -0.469 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.906 -3.939 -1.030 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.459 -3.419 0.557 1.00 0.48 H ATOM 73 N HIS A 7 -6.328 -0.744 -0.379 1.00 0.28 N ATOM 74 CA HIS A 7 -6.908 0.478 -0.923 1.00 0.32 C ATOM 75 C HIS A 7 -6.004 1.016 -2.022 1.00 0.31 C ATOM 76 O HIS A 7 -6.449 1.328 -3.125 1.00 0.55 O ATOM 77 CB HIS A 7 -7.101 1.527 0.179 1.00 0.47 C ATOM 78 CG HIS A 7 -7.968 2.677 -0.231 1.00 1.15 C ATOM 79 ND1 HIS A 7 -9.314 2.735 0.049 1.00 1.86 N ATOM 80 CD2 HIS A 7 -7.678 3.810 -0.909 1.00 2.02 C ATOM 81 CE1 HIS A 7 -9.816 3.856 -0.436 1.00 2.52 C ATOM 82 NE2 HIS A 7 -8.842 4.528 -1.025 1.00 2.62 N ATOM 83 H HIS A 7 -5.745 -0.696 0.411 1.00 0.44 H ATOM 84 HA HIS A 7 -7.868 0.228 -1.351 1.00 0.39 H ATOM 85 HB2 HIS A 7 -7.554 1.061 1.039 1.00 0.82 H ATOM 86 HB3 HIS A 7 -6.136 1.925 0.461 1.00 0.98 H ATOM 87 HD1 HIS A 7 -9.831 2.046 0.538 1.00 2.24 H ATOM 88 HD2 HIS A 7 -6.706 4.100 -1.287 1.00 2.53 H ATOM 89 HE1 HIS A 7 -10.846 4.172 -0.362 1.00 3.21 H ATOM 90 HE2 HIS A 7 -8.980 5.269 -1.659 1.00 3.33 H ATOM 91 N ASN A 8 -4.728 1.126 -1.703 1.00 0.24 N ATOM 92 CA ASN A 8 -3.713 1.475 -2.683 1.00 0.30 C ATOM 93 C ASN A 8 -2.342 1.125 -2.134 1.00 0.29 C ATOM 94 O ASN A 8 -1.703 0.181 -2.590 1.00 0.41 O ATOM 95 CB ASN A 8 -3.765 2.961 -3.052 1.00 0.37 C ATOM 96 CG ASN A 8 -2.890 3.273 -4.251 1.00 0.95 C ATOM 97 OD1 ASN A 8 -2.753 2.452 -5.159 1.00 1.54 O ATOM 98 ND2 ASN A 8 -2.291 4.451 -4.261 1.00 1.71 N ATOM 99 H ASN A 8 -4.458 0.959 -0.778 1.00 0.37 H ATOM 100 HA ASN A 8 -3.893 0.886 -3.569 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.783 3.236 -3.287 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.420 3.548 -2.214 1.00 0.73 H ATOM 103 HD21 ASN A 8 -2.441 5.060 -3.501 1.00 2.11 H ATOM 104 HD22 ASN A 8 -1.707 4.666 -5.020 1.00 2.15 H ATOM 105 N VAL A 9 -1.912 1.872 -1.133 1.00 0.20 N ATOM 106 CA VAL A 9 -0.653 1.610 -0.458 1.00 0.26 C ATOM 107 C VAL A 9 -0.685 2.260 0.934 1.00 0.23 C ATOM 108 O VAL A 9 0.190 3.036 1.316 1.00 0.34 O ATOM 109 CB VAL A 9 0.547 2.103 -1.315 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.454 3.598 -1.606 1.00 0.65 C ATOM 111 CG2 VAL A 9 1.877 1.754 -0.663 1.00 0.73 C ATOM 112 H VAL A 9 -2.450 2.649 -0.849 1.00 0.19 H ATOM 113 HA VAL A 9 -0.565 0.540 -0.337 1.00 0.30 H ATOM 114 HB VAL A 9 0.499 1.584 -2.261 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.430 4.143 -0.674 1.00 1.16 H ATOM 116 HG12 VAL A 9 -0.445 3.802 -2.168 1.00 1.30 H ATOM 117 HG13 VAL A 9 1.315 3.905 -2.182 1.00 1.09 H ATOM 118 HG21 VAL A 9 2.686 2.101 -1.290 1.00 1.17 H ATOM 119 HG22 VAL A 9 1.949 0.684 -0.540 1.00 1.33 H ATOM 120 HG23 VAL A 9 1.938 2.233 0.303 1.00 1.40 H ATOM 121 N CYS A 10 -1.729 1.932 1.686 1.00 0.18 N ATOM 122 CA CYS A 10 -1.960 2.530 2.998 1.00 0.28 C ATOM 123 C CYS A 10 -1.071 1.897 4.063 1.00 0.38 C ATOM 124 O CYS A 10 -0.942 2.425 5.169 1.00 0.60 O ATOM 125 CB CYS A 10 -3.427 2.362 3.391 1.00 0.33 C ATOM 126 SG CYS A 10 -3.923 0.644 3.756 1.00 0.44 S ATOM 127 H CYS A 10 -2.375 1.267 1.351 1.00 0.18 H ATOM 128 HA CYS A 10 -1.732 3.582 2.929 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.631 2.958 4.267 1.00 0.48 H ATOM 130 HB3 CYS A 10 -4.040 2.708 2.576 1.00 0.35 H ATOM 131 N CYS A 11 -0.473 0.763 3.707 1.00 0.44 N ATOM 132 CA CYS A 11 0.397 0.000 4.601 1.00 0.64 C ATOM 133 C CYS A 11 -0.422 -0.700 5.682 1.00 1.15 C ATOM 134 O CYS A 11 -0.585 -0.135 6.785 1.00 1.79 O ATOM 135 CB CYS A 11 1.468 0.896 5.231 1.00 0.65 C ATOM 136 SG CYS A 11 2.555 1.714 4.020 1.00 0.87 S ATOM 137 OXT CYS A 11 -0.911 -1.818 5.416 1.00 1.79 O ATOM 138 H CYS A 11 -0.633 0.424 2.810 1.00 0.49 H ATOM 139 HA CYS A 11 0.886 -0.758 4.004 1.00 1.05 H ATOM 140 HB2 CYS A 11 0.987 1.667 5.812 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.088 0.297 5.884 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 4 ATOM 1 N ASP A 1 6.479 2.163 -2.671 1.00 1.83 N ATOM 2 CA ASP A 1 7.631 1.481 -2.025 1.00 1.46 C ATOM 3 C ASP A 1 7.151 0.447 -1.008 1.00 1.18 C ATOM 4 O ASP A 1 7.693 -0.659 -0.932 1.00 1.61 O ATOM 5 CB ASP A 1 8.545 2.510 -1.344 1.00 2.14 C ATOM 6 CG ASP A 1 7.875 3.229 -0.193 1.00 2.80 C ATOM 7 OD1 ASP A 1 6.687 3.585 -0.318 1.00 3.39 O ATOM 8 OD2 ASP A 1 8.528 3.437 0.847 1.00 3.29 O ATOM 9 H1 ASP A 1 6.816 2.831 -3.397 1.00 2.20 H ATOM 10 H2 ASP A 1 5.927 2.694 -1.962 1.00 2.13 H ATOM 11 H3 ASP A 1 5.852 1.465 -3.128 1.00 2.38 H ATOM 12 HA ASP A 1 8.191 0.970 -2.794 1.00 1.80 H ATOM 13 HB2 ASP A 1 9.419 2.005 -0.961 1.00 2.50 H ATOM 14 HB3 ASP A 1 8.853 3.246 -2.074 1.00 2.65 H ATOM 15 N CYS A 2 6.148 0.812 -0.221 1.00 0.68 N ATOM 16 CA CYS A 2 5.538 -0.114 0.718 1.00 0.44 C ATOM 17 C CYS A 2 4.576 -1.029 -0.022 1.00 0.33 C ATOM 18 O CYS A 2 3.864 -0.588 -0.925 1.00 0.57 O ATOM 19 CB CYS A 2 4.796 0.651 1.821 1.00 0.46 C ATOM 20 SG CYS A 2 4.017 -0.416 3.079 1.00 0.79 S ATOM 21 H CYS A 2 5.819 1.734 -0.263 1.00 0.80 H ATOM 22 HA CYS A 2 6.319 -0.709 1.162 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.493 1.300 2.329 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.017 1.252 1.371 1.00 0.43 H ATOM 25 N GLN A 3 4.589 -2.306 0.342 1.00 0.38 N ATOM 26 CA GLN A 3 3.702 -3.292 -0.259 1.00 0.40 C ATOM 27 C GLN A 3 2.251 -2.857 -0.093 1.00 0.29 C ATOM 28 O GLN A 3 1.780 -2.672 1.032 1.00 0.39 O ATOM 29 CB GLN A 3 3.917 -4.662 0.391 1.00 0.65 C ATOM 30 CG GLN A 3 3.182 -5.794 -0.308 1.00 1.47 C ATOM 31 CD GLN A 3 3.650 -5.992 -1.735 1.00 2.09 C ATOM 32 OE1 GLN A 3 4.812 -5.741 -2.062 1.00 2.58 O ATOM 33 NE2 GLN A 3 2.751 -6.431 -2.596 1.00 2.85 N ATOM 34 H GLN A 3 5.223 -2.597 1.038 1.00 0.62 H ATOM 35 HA GLN A 3 3.932 -3.356 -1.312 1.00 0.47 H ATOM 36 HB2 GLN A 3 4.973 -4.888 0.382 1.00 1.26 H ATOM 37 HB3 GLN A 3 3.577 -4.619 1.415 1.00 1.21 H ATOM 38 HG2 GLN A 3 3.352 -6.709 0.239 1.00 2.06 H ATOM 39 HG3 GLN A 3 2.125 -5.569 -0.318 1.00 2.10 H ATOM 40 HE21 GLN A 3 1.837 -6.600 -2.271 1.00 3.08 H ATOM 41 HE22 GLN A 3 3.033 -6.576 -3.529 1.00 3.46 H ATOM 42 N PRO A 4 1.540 -2.668 -1.219 1.00 0.26 N ATOM 43 CA PRO A 4 0.144 -2.230 -1.226 1.00 0.29 C ATOM 44 C PRO A 4 -0.712 -3.018 -0.246 1.00 0.28 C ATOM 45 O PRO A 4 -0.720 -4.248 -0.254 1.00 0.40 O ATOM 46 CB PRO A 4 -0.285 -2.504 -2.666 1.00 0.42 C ATOM 47 CG PRO A 4 0.954 -2.317 -3.447 1.00 0.47 C ATOM 48 CD PRO A 4 2.047 -2.878 -2.588 1.00 0.38 C ATOM 49 HA PRO A 4 0.058 -1.169 -1.012 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.644 -3.511 -2.751 1.00 0.43 H ATOM 51 HB3 PRO A 4 -1.051 -1.804 -2.963 1.00 0.51 H ATOM 52 HG2 PRO A 4 0.889 -2.856 -4.380 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.116 -1.273 -3.625 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.178 -3.931 -2.794 1.00 0.45 H ATOM 55 HD3 PRO A 4 2.968 -2.339 -2.749 1.00 0.43 H ATOM 56 N CYS A 5 -1.441 -2.293 0.584 1.00 0.29 N ATOM 57 CA CYS A 5 -2.196 -2.894 1.672 1.00 0.34 C ATOM 58 C CYS A 5 -3.601 -3.270 1.233 1.00 0.44 C ATOM 59 O CYS A 5 -4.335 -3.934 1.961 1.00 1.18 O ATOM 60 CB CYS A 5 -2.289 -1.899 2.814 1.00 0.40 C ATOM 61 SG CYS A 5 -3.077 -0.324 2.333 1.00 0.51 S ATOM 62 H CYS A 5 -1.459 -1.323 0.472 1.00 0.38 H ATOM 63 HA CYS A 5 -1.677 -3.768 2.015 1.00 0.40 H ATOM 64 HB2 CYS A 5 -2.867 -2.335 3.610 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.296 -1.683 3.168 1.00 0.49 H ATOM 66 N GLY A 6 -3.975 -2.841 0.039 1.00 0.43 N ATOM 67 CA GLY A 6 -5.324 -3.067 -0.424 1.00 0.42 C ATOM 68 C GLY A 6 -5.923 -1.823 -1.036 1.00 0.31 C ATOM 69 O GLY A 6 -6.530 -1.878 -2.103 1.00 0.49 O ATOM 70 H GLY A 6 -3.329 -2.384 -0.536 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.321 -3.858 -1.162 1.00 0.51 H ATOM 72 HA3 GLY A 6 -5.928 -3.366 0.416 1.00 0.48 H ATOM 73 N HIS A 7 -5.738 -0.695 -0.364 1.00 0.28 N ATOM 74 CA HIS A 7 -6.264 0.568 -0.859 1.00 0.32 C ATOM 75 C HIS A 7 -5.339 1.117 -1.932 1.00 0.31 C ATOM 76 O HIS A 7 -5.778 1.476 -3.023 1.00 0.55 O ATOM 77 CB HIS A 7 -6.431 1.573 0.283 1.00 0.47 C ATOM 78 CG HIS A 7 -7.458 1.153 1.286 1.00 1.15 C ATOM 79 ND1 HIS A 7 -8.807 1.276 1.070 1.00 1.86 N ATOM 80 CD2 HIS A 7 -7.323 0.585 2.506 1.00 2.02 C ATOM 81 CE1 HIS A 7 -9.462 0.801 2.111 1.00 2.52 C ATOM 82 NE2 HIS A 7 -8.586 0.372 2.997 1.00 2.62 N ATOM 83 H HIS A 7 -5.227 -0.712 0.476 1.00 0.44 H ATOM 84 HA HIS A 7 -7.231 0.373 -1.301 1.00 0.39 H ATOM 85 HB2 HIS A 7 -5.487 1.684 0.794 1.00 0.82 H ATOM 86 HB3 HIS A 7 -6.731 2.526 -0.125 1.00 0.98 H ATOM 87 HD1 HIS A 7 -9.229 1.638 0.252 1.00 2.24 H ATOM 88 HD2 HIS A 7 -6.392 0.339 2.998 1.00 2.53 H ATOM 89 HE1 HIS A 7 -10.538 0.766 2.218 1.00 3.21 H ATOM 90 HE2 HIS A 7 -8.801 -0.235 3.746 1.00 3.33 H ATOM 91 N ASN A 8 -4.054 1.167 -1.606 1.00 0.24 N ATOM 92 CA ASN A 8 -3.017 1.498 -2.575 1.00 0.30 C ATOM 93 C ASN A 8 -1.670 1.374 -1.896 1.00 0.29 C ATOM 94 O ASN A 8 -0.809 0.615 -2.326 1.00 0.41 O ATOM 95 CB ASN A 8 -3.195 2.913 -3.141 1.00 0.37 C ATOM 96 CG ASN A 8 -2.266 3.193 -4.308 1.00 0.95 C ATOM 97 OD1 ASN A 8 -1.141 3.653 -4.128 1.00 1.54 O ATOM 98 ND2 ASN A 8 -2.735 2.928 -5.518 1.00 1.71 N ATOM 99 H ASN A 8 -3.791 0.990 -0.675 1.00 0.37 H ATOM 100 HA ASN A 8 -3.072 0.780 -3.380 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.211 3.034 -3.482 1.00 0.79 H ATOM 102 HB3 ASN A 8 -2.992 3.634 -2.362 1.00 0.73 H ATOM 103 HD21 ASN A 8 -3.652 2.569 -5.596 1.00 2.11 H ATOM 104 HD22 ASN A 8 -2.156 3.100 -6.288 1.00 2.15 H ATOM 105 N VAL A 9 -1.528 2.094 -0.795 1.00 0.20 N ATOM 106 CA VAL A 9 -0.321 2.056 0.010 1.00 0.26 C ATOM 107 C VAL A 9 -0.591 2.776 1.341 1.00 0.23 C ATOM 108 O VAL A 9 0.107 3.708 1.741 1.00 0.34 O ATOM 109 CB VAL A 9 0.880 2.680 -0.748 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.636 4.145 -1.087 1.00 0.65 C ATOM 111 CG2 VAL A 9 2.176 2.502 0.034 1.00 0.73 C ATOM 112 H VAL A 9 -2.268 2.682 -0.512 1.00 0.19 H ATOM 113 HA VAL A 9 -0.093 1.013 0.208 1.00 0.30 H ATOM 114 HB VAL A 9 0.985 2.142 -1.679 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.456 4.698 -0.177 1.00 1.16 H ATOM 116 HG12 VAL A 9 -0.224 4.228 -1.734 1.00 1.30 H ATOM 117 HG13 VAL A 9 1.506 4.548 -1.588 1.00 1.09 H ATOM 118 HG21 VAL A 9 2.992 2.953 -0.514 1.00 1.17 H ATOM 119 HG22 VAL A 9 2.373 1.449 0.173 1.00 1.33 H ATOM 120 HG23 VAL A 9 2.082 2.980 0.997 1.00 1.40 H ATOM 121 N CYS A 10 -1.643 2.329 2.021 1.00 0.18 N ATOM 122 CA CYS A 10 -2.098 2.967 3.259 1.00 0.28 C ATOM 123 C CYS A 10 -1.091 2.774 4.387 1.00 0.38 C ATOM 124 O CYS A 10 -1.170 3.418 5.432 1.00 0.60 O ATOM 125 CB CYS A 10 -3.448 2.389 3.660 1.00 0.33 C ATOM 126 SG CYS A 10 -3.405 0.619 4.100 1.00 0.44 S ATOM 127 H CYS A 10 -2.136 1.544 1.681 1.00 0.18 H ATOM 128 HA CYS A 10 -2.213 4.023 3.065 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.834 2.932 4.510 1.00 0.48 H ATOM 130 HB3 CYS A 10 -4.121 2.499 2.827 1.00 0.35 H ATOM 131 N CYS A 11 -0.159 1.874 4.161 1.00 0.44 N ATOM 132 CA CYS A 11 0.906 1.607 5.119 1.00 0.64 C ATOM 133 C CYS A 11 1.914 2.761 5.148 1.00 1.15 C ATOM 134 O CYS A 11 2.634 2.956 4.149 1.00 1.79 O ATOM 135 CB CYS A 11 1.604 0.285 4.781 1.00 0.65 C ATOM 136 SG CYS A 11 2.056 0.102 3.021 1.00 0.87 S ATOM 137 OXT CYS A 11 1.962 3.489 6.168 1.00 1.79 O ATOM 138 H CYS A 11 -0.182 1.380 3.314 1.00 0.49 H ATOM 139 HA CYS A 11 0.452 1.522 6.096 1.00 1.05 H ATOM 140 HB2 CYS A 11 2.512 0.208 5.360 1.00 0.85 H ATOM 141 HB3 CYS A 11 0.948 -0.534 5.039 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 5 ATOM 1 N ASP A 1 9.846 2.573 0.222 1.00 1.83 N ATOM 2 CA ASP A 1 8.726 1.911 -0.492 1.00 1.46 C ATOM 3 C ASP A 1 7.896 1.088 0.480 1.00 1.18 C ATOM 4 O ASP A 1 8.309 0.848 1.617 1.00 1.61 O ATOM 5 CB ASP A 1 9.250 1.017 -1.621 1.00 2.14 C ATOM 6 CG ASP A 1 10.082 -0.146 -1.121 1.00 2.80 C ATOM 7 OD1 ASP A 1 11.078 0.093 -0.414 1.00 3.29 O ATOM 8 OD2 ASP A 1 9.762 -1.304 -1.463 1.00 3.39 O ATOM 9 H1 ASP A 1 10.448 1.861 0.690 1.00 2.20 H ATOM 10 H2 ASP A 1 9.472 3.224 0.948 1.00 2.13 H ATOM 11 H3 ASP A 1 10.428 3.118 -0.447 1.00 2.38 H ATOM 12 HA ASP A 1 8.097 2.681 -0.916 1.00 1.80 H ATOM 13 HB2 ASP A 1 8.410 0.620 -2.173 1.00 2.50 H ATOM 14 HB3 ASP A 1 9.860 1.612 -2.287 1.00 2.65 H ATOM 15 N CYS A 2 6.723 0.666 0.033 1.00 0.68 N ATOM 16 CA CYS A 2 5.814 -0.107 0.863 1.00 0.44 C ATOM 17 C CYS A 2 4.881 -0.913 -0.029 1.00 0.33 C ATOM 18 O CYS A 2 4.609 -0.518 -1.162 1.00 0.57 O ATOM 19 CB CYS A 2 5.013 0.827 1.776 1.00 0.46 C ATOM 20 SG CYS A 2 4.013 -0.024 3.043 1.00 0.79 S ATOM 21 H CYS A 2 6.459 0.874 -0.891 1.00 0.80 H ATOM 22 HA CYS A 2 6.399 -0.786 1.468 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.698 1.486 2.289 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.341 1.420 1.171 1.00 0.43 H ATOM 25 N GLN A 3 4.416 -2.048 0.469 1.00 0.38 N ATOM 26 CA GLN A 3 3.567 -2.930 -0.317 1.00 0.40 C ATOM 27 C GLN A 3 2.100 -2.532 -0.173 1.00 0.29 C ATOM 28 O GLN A 3 1.624 -2.275 0.935 1.00 0.39 O ATOM 29 CB GLN A 3 3.782 -4.381 0.124 1.00 0.65 C ATOM 30 CG GLN A 3 2.995 -5.394 -0.693 1.00 1.47 C ATOM 31 CD GLN A 3 3.390 -6.820 -0.378 1.00 2.09 C ATOM 32 OE1 GLN A 3 2.824 -7.455 0.511 1.00 2.58 O ATOM 33 NE2 GLN A 3 4.364 -7.336 -1.110 1.00 2.85 N ATOM 34 H GLN A 3 4.636 -2.295 1.397 1.00 0.62 H ATOM 35 HA GLN A 3 3.856 -2.832 -1.355 1.00 0.47 H ATOM 36 HB2 GLN A 3 4.831 -4.621 0.039 1.00 1.26 H ATOM 37 HB3 GLN A 3 3.483 -4.479 1.157 1.00 1.21 H ATOM 38 HG2 GLN A 3 1.945 -5.272 -0.482 1.00 2.06 H ATOM 39 HG3 GLN A 3 3.177 -5.210 -1.743 1.00 2.10 H ATOM 40 HE21 GLN A 3 4.768 -6.774 -1.803 1.00 3.08 H ATOM 41 HE22 GLN A 3 4.645 -8.260 -0.925 1.00 3.46 H ATOM 42 N PRO A 4 1.383 -2.454 -1.310 1.00 0.26 N ATOM 43 CA PRO A 4 -0.045 -2.117 -1.356 1.00 0.29 C ATOM 44 C PRO A 4 -0.874 -2.866 -0.317 1.00 0.28 C ATOM 45 O PRO A 4 -0.833 -4.094 -0.231 1.00 0.40 O ATOM 46 CB PRO A 4 -0.436 -2.544 -2.768 1.00 0.42 C ATOM 47 CG PRO A 4 0.783 -2.292 -3.563 1.00 0.47 C ATOM 48 CD PRO A 4 1.924 -2.677 -2.662 1.00 0.38 C ATOM 49 HA PRO A 4 -0.203 -1.055 -1.242 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.688 -3.589 -2.774 1.00 0.43 H ATOM 51 HB3 PRO A 4 -1.269 -1.954 -3.117 1.00 0.51 H ATOM 52 HG2 PRO A 4 0.777 -2.905 -4.454 1.00 0.57 H ATOM 53 HG3 PRO A 4 0.838 -1.253 -3.819 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.180 -3.715 -2.805 1.00 0.45 H ATOM 55 HD3 PRO A 4 2.781 -2.045 -2.844 1.00 0.43 H ATOM 56 N CYS A 5 -1.637 -2.107 0.456 1.00 0.29 N ATOM 57 CA CYS A 5 -2.410 -2.657 1.559 1.00 0.34 C ATOM 58 C CYS A 5 -3.797 -3.087 1.116 1.00 0.44 C ATOM 59 O CYS A 5 -4.478 -3.825 1.818 1.00 1.18 O ATOM 60 CB CYS A 5 -2.541 -1.618 2.652 1.00 0.40 C ATOM 61 SG CYS A 5 -3.309 -0.067 2.074 1.00 0.51 S ATOM 62 H CYS A 5 -1.681 -1.145 0.280 1.00 0.38 H ATOM 63 HA CYS A 5 -1.884 -3.510 1.953 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.148 -2.025 3.445 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.560 -1.383 3.036 1.00 0.49 H ATOM 66 N GLY A 6 -4.227 -2.598 -0.040 1.00 0.43 N ATOM 67 CA GLY A 6 -5.557 -2.912 -0.512 1.00 0.42 C ATOM 68 C GLY A 6 -6.227 -1.715 -1.147 1.00 0.31 C ATOM 69 O GLY A 6 -6.850 -1.825 -2.205 1.00 0.49 O ATOM 70 H GLY A 6 -3.638 -2.031 -0.577 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.498 -3.712 -1.235 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.150 -3.238 0.328 1.00 0.48 H ATOM 73 N HIS A 7 -6.083 -0.562 -0.508 1.00 0.28 N ATOM 74 CA HIS A 7 -6.671 0.662 -1.033 1.00 0.32 C ATOM 75 C HIS A 7 -5.806 1.186 -2.161 1.00 0.31 C ATOM 76 O HIS A 7 -6.224 1.239 -3.314 1.00 0.55 O ATOM 77 CB HIS A 7 -6.813 1.720 0.063 1.00 0.47 C ATOM 78 CG HIS A 7 -7.763 1.337 1.155 1.00 1.15 C ATOM 79 ND1 HIS A 7 -9.071 1.755 1.194 1.00 1.86 N ATOM 80 CD2 HIS A 7 -7.585 0.559 2.247 1.00 2.02 C ATOM 81 CE1 HIS A 7 -9.658 1.253 2.263 1.00 2.52 C ATOM 82 NE2 HIS A 7 -8.778 0.521 2.918 1.00 2.62 N ATOM 83 H HIS A 7 -5.561 -0.533 0.322 1.00 0.44 H ATOM 84 HA HIS A 7 -7.650 0.422 -1.422 1.00 0.39 H ATOM 85 HB2 HIS A 7 -5.846 1.894 0.511 1.00 0.82 H ATOM 86 HB3 HIS A 7 -7.170 2.639 -0.380 1.00 0.98 H ATOM 87 HD1 HIS A 7 -9.510 2.346 0.532 1.00 2.24 H ATOM 88 HD2 HIS A 7 -6.672 0.057 2.535 1.00 2.53 H ATOM 89 HE1 HIS A 7 -10.683 1.413 2.556 1.00 3.21 H ATOM 90 HE2 HIS A 7 -9.003 -0.123 3.637 1.00 3.33 H ATOM 91 N ASN A 8 -4.590 1.563 -1.812 1.00 0.24 N ATOM 92 CA ASN A 8 -3.597 1.958 -2.793 1.00 0.30 C ATOM 93 C ASN A 8 -2.215 1.632 -2.252 1.00 0.29 C ATOM 94 O ASN A 8 -1.509 0.779 -2.781 1.00 0.41 O ATOM 95 CB ASN A 8 -3.719 3.452 -3.108 1.00 0.37 C ATOM 96 CG ASN A 8 -2.792 3.884 -4.222 1.00 0.95 C ATOM 97 OD1 ASN A 8 -1.672 4.340 -3.977 1.00 1.54 O ATOM 98 ND2 ASN A 8 -3.249 3.738 -5.455 1.00 1.71 N ATOM 99 H ASN A 8 -4.353 1.590 -0.863 1.00 0.37 H ATOM 100 HA ASN A 8 -3.766 1.386 -3.695 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.734 3.669 -3.404 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.477 4.020 -2.221 1.00 0.73 H ATOM 103 HD21 ASN A 8 -4.154 3.366 -5.574 1.00 2.11 H ATOM 104 HD22 ASN A 8 -2.665 4.001 -6.204 1.00 2.15 H ATOM 105 N VAL A 9 -1.867 2.280 -1.151 1.00 0.20 N ATOM 106 CA VAL A 9 -0.603 2.037 -0.472 1.00 0.26 C ATOM 107 C VAL A 9 -0.653 2.676 0.918 1.00 0.23 C ATOM 108 O VAL A 9 0.248 3.399 1.344 1.00 0.34 O ATOM 109 CB VAL A 9 0.600 2.556 -1.308 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.552 4.065 -1.495 1.00 0.65 C ATOM 111 CG2 VAL A 9 1.926 2.119 -0.704 1.00 0.73 C ATOM 112 H VAL A 9 -2.483 2.952 -0.781 1.00 0.19 H ATOM 113 HA VAL A 9 -0.497 0.969 -0.356 1.00 0.30 H ATOM 114 HB VAL A 9 0.524 2.106 -2.290 1.00 0.64 H ATOM 115 HG11 VAL A 9 1.415 4.383 -2.064 1.00 1.16 H ATOM 116 HG12 VAL A 9 0.558 4.546 -0.530 1.00 1.30 H ATOM 117 HG13 VAL A 9 -0.351 4.334 -2.026 1.00 1.09 H ATOM 118 HG21 VAL A 9 2.004 2.494 0.305 1.00 1.17 H ATOM 119 HG22 VAL A 9 2.736 2.513 -1.298 1.00 1.33 H ATOM 120 HG23 VAL A 9 1.980 1.040 -0.696 1.00 1.40 H ATOM 121 N CYS A 10 -1.745 2.401 1.620 1.00 0.18 N ATOM 122 CA CYS A 10 -1.978 2.996 2.928 1.00 0.28 C ATOM 123 C CYS A 10 -0.954 2.501 3.939 1.00 0.38 C ATOM 124 O CYS A 10 -0.377 3.292 4.682 1.00 0.60 O ATOM 125 CB CYS A 10 -3.403 2.692 3.411 1.00 0.33 C ATOM 126 SG CYS A 10 -3.743 0.935 3.785 1.00 0.44 S ATOM 127 H CYS A 10 -2.416 1.777 1.251 1.00 0.18 H ATOM 128 HA CYS A 10 -1.868 4.063 2.820 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.593 3.255 4.311 1.00 0.48 H ATOM 130 HB3 CYS A 10 -4.099 3.003 2.648 1.00 0.35 H ATOM 131 N CYS A 11 -0.726 1.190 3.936 1.00 0.44 N ATOM 132 CA CYS A 11 0.211 0.553 4.852 1.00 0.64 C ATOM 133 C CYS A 11 -0.194 0.813 6.298 1.00 1.15 C ATOM 134 O CYS A 11 0.357 1.741 6.924 1.00 1.79 O ATOM 135 CB CYS A 11 1.636 1.052 4.589 1.00 0.65 C ATOM 136 SG CYS A 11 2.182 0.825 2.862 1.00 0.87 S ATOM 137 OXT CYS A 11 -1.086 0.101 6.796 1.00 1.79 O ATOM 138 H CYS A 11 -1.210 0.634 3.296 1.00 0.49 H ATOM 139 HA CYS A 11 0.175 -0.509 4.670 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.689 2.107 4.816 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.322 0.515 5.225 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 6 ATOM 1 N ASP A 1 10.419 1.833 -0.593 1.00 1.83 N ATOM 2 CA ASP A 1 9.536 0.696 -0.938 1.00 1.46 C ATOM 3 C ASP A 1 8.464 0.521 0.125 1.00 1.18 C ATOM 4 O ASP A 1 8.744 0.622 1.319 1.00 1.61 O ATOM 5 CB ASP A 1 10.345 -0.593 -1.069 1.00 2.14 C ATOM 6 CG ASP A 1 9.473 -1.795 -1.378 1.00 2.80 C ATOM 7 OD1 ASP A 1 8.959 -2.424 -0.433 1.00 3.29 O ATOM 8 OD2 ASP A 1 9.308 -2.127 -2.570 1.00 3.39 O ATOM 9 H1 ASP A 1 11.177 1.931 -1.298 1.00 2.20 H ATOM 10 H2 ASP A 1 10.849 1.679 0.344 1.00 2.13 H ATOM 11 H3 ASP A 1 9.865 2.717 -0.565 1.00 2.38 H ATOM 12 HA ASP A 1 9.056 0.913 -1.882 1.00 1.80 H ATOM 13 HB2 ASP A 1 11.063 -0.481 -1.868 1.00 2.50 H ATOM 14 HB3 ASP A 1 10.869 -0.778 -0.144 1.00 2.65 H ATOM 15 N CYS A 2 7.237 0.267 -0.306 1.00 0.68 N ATOM 16 CA CYS A 2 6.142 0.040 0.625 1.00 0.44 C ATOM 17 C CYS A 2 5.230 -1.058 0.084 1.00 0.33 C ATOM 18 O CYS A 2 5.334 -1.434 -1.087 1.00 0.57 O ATOM 19 CB CYS A 2 5.361 1.336 0.843 1.00 0.46 C ATOM 20 SG CYS A 2 4.743 1.551 2.548 1.00 0.79 S ATOM 21 H CYS A 2 7.063 0.226 -1.272 1.00 0.80 H ATOM 22 HA CYS A 2 6.563 -0.281 1.565 1.00 0.59 H ATOM 23 HB2 CYS A 2 6.002 2.172 0.618 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.510 1.352 0.179 1.00 0.43 H ATOM 25 N GLN A 3 4.352 -1.578 0.930 1.00 0.38 N ATOM 26 CA GLN A 3 3.499 -2.698 0.552 1.00 0.40 C ATOM 27 C GLN A 3 2.091 -2.241 0.183 1.00 0.29 C ATOM 28 O GLN A 3 1.399 -1.608 0.987 1.00 0.39 O ATOM 29 CB GLN A 3 3.436 -3.733 1.683 1.00 0.65 C ATOM 30 CG GLN A 3 3.027 -3.150 3.026 1.00 1.47 C ATOM 31 CD GLN A 3 2.809 -4.211 4.089 1.00 2.09 C ATOM 32 OE1 GLN A 3 3.420 -5.280 4.053 1.00 2.58 O ATOM 33 NE2 GLN A 3 1.944 -3.925 5.049 1.00 2.85 N ATOM 34 H GLN A 3 4.267 -1.195 1.829 1.00 0.62 H ATOM 35 HA GLN A 3 3.939 -3.164 -0.317 1.00 0.47 H ATOM 36 HB2 GLN A 3 2.724 -4.503 1.418 1.00 1.26 H ATOM 37 HB3 GLN A 3 4.412 -4.185 1.793 1.00 1.21 H ATOM 38 HG2 GLN A 3 3.804 -2.482 3.365 1.00 2.06 H ATOM 39 HG3 GLN A 3 2.109 -2.595 2.897 1.00 2.10 H ATOM 40 HE21 GLN A 3 1.487 -3.050 5.022 1.00 3.08 H ATOM 41 HE22 GLN A 3 1.791 -4.594 5.755 1.00 3.46 H ATOM 42 N PRO A 4 1.667 -2.541 -1.053 1.00 0.26 N ATOM 43 CA PRO A 4 0.279 -2.355 -1.493 1.00 0.29 C ATOM 44 C PRO A 4 -0.682 -3.160 -0.623 1.00 0.28 C ATOM 45 O PRO A 4 -0.386 -4.294 -0.242 1.00 0.40 O ATOM 46 CB PRO A 4 0.288 -2.893 -2.926 1.00 0.42 C ATOM 47 CG PRO A 4 1.690 -2.743 -3.359 1.00 0.47 C ATOM 48 CD PRO A 4 2.507 -3.062 -2.142 1.00 0.38 C ATOM 49 HA PRO A 4 -0.002 -1.314 -1.491 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.011 -3.924 -2.929 1.00 0.43 H ATOM 51 HB3 PRO A 4 -0.383 -2.309 -3.541 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.912 -3.434 -4.160 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.859 -1.732 -3.669 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.646 -4.129 -2.048 1.00 0.45 H ATOM 55 HD3 PRO A 4 3.459 -2.553 -2.176 1.00 0.43 H ATOM 56 N CYS A 5 -1.828 -2.584 -0.312 1.00 0.29 N ATOM 57 CA CYS A 5 -2.746 -3.211 0.625 1.00 0.34 C ATOM 58 C CYS A 5 -4.135 -3.425 0.023 1.00 0.44 C ATOM 59 O CYS A 5 -4.323 -4.315 -0.811 1.00 1.18 O ATOM 60 CB CYS A 5 -2.825 -2.389 1.905 1.00 0.40 C ATOM 61 SG CYS A 5 -3.225 -0.629 1.644 1.00 0.51 S ATOM 62 H CYS A 5 -2.065 -1.723 -0.720 1.00 0.38 H ATOM 63 HA CYS A 5 -2.338 -4.175 0.879 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.584 -2.812 2.539 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.874 -2.439 2.413 1.00 0.49 H ATOM 66 N GLY A 6 -5.097 -2.608 0.431 1.00 0.43 N ATOM 67 CA GLY A 6 -6.459 -2.780 -0.016 1.00 0.42 C ATOM 68 C GLY A 6 -6.961 -1.593 -0.801 1.00 0.31 C ATOM 69 O GLY A 6 -7.690 -1.752 -1.778 1.00 0.49 O ATOM 70 H GLY A 6 -4.878 -1.878 1.051 1.00 1.00 H ATOM 71 HA2 GLY A 6 -6.522 -3.661 -0.635 1.00 0.51 H ATOM 72 HA3 GLY A 6 -7.090 -2.911 0.848 1.00 0.48 H ATOM 73 N HIS A 7 -6.574 -0.399 -0.371 1.00 0.28 N ATOM 74 CA HIS A 7 -6.985 0.815 -1.054 1.00 0.32 C ATOM 75 C HIS A 7 -6.047 1.073 -2.223 1.00 0.31 C ATOM 76 O HIS A 7 -6.474 1.181 -3.372 1.00 0.55 O ATOM 77 CB HIS A 7 -6.973 2.001 -0.086 1.00 0.47 C ATOM 78 CG HIS A 7 -8.043 3.012 -0.354 1.00 1.15 C ATOM 79 ND1 HIS A 7 -7.899 4.072 -1.227 1.00 1.86 N ATOM 80 CD2 HIS A 7 -9.292 3.118 0.156 1.00 2.02 C ATOM 81 CE1 HIS A 7 -9.013 4.783 -1.239 1.00 2.52 C ATOM 82 NE2 HIS A 7 -9.871 4.223 -0.409 1.00 2.62 N ATOM 83 H HIS A 7 -6.008 -0.336 0.435 1.00 0.44 H ATOM 84 HA HIS A 7 -7.986 0.666 -1.432 1.00 0.39 H ATOM 85 HB2 HIS A 7 -7.112 1.635 0.918 1.00 0.82 H ATOM 86 HB3 HIS A 7 -6.018 2.500 -0.156 1.00 0.98 H ATOM 87 HD1 HIS A 7 -7.093 4.280 -1.761 1.00 2.24 H ATOM 88 HD2 HIS A 7 -9.746 2.456 0.881 1.00 2.53 H ATOM 89 HE1 HIS A 7 -9.192 5.671 -1.827 1.00 3.21 H ATOM 90 HE2 HIS A 7 -10.768 4.577 -0.186 1.00 3.33 H ATOM 91 N ASN A 8 -4.762 1.166 -1.914 1.00 0.24 N ATOM 92 CA ASN A 8 -3.725 1.264 -2.930 1.00 0.30 C ATOM 93 C ASN A 8 -2.360 1.028 -2.306 1.00 0.29 C ATOM 94 O ASN A 8 -1.649 0.098 -2.678 1.00 0.41 O ATOM 95 CB ASN A 8 -3.755 2.629 -3.623 1.00 0.37 C ATOM 96 CG ASN A 8 -2.686 2.751 -4.695 1.00 0.95 C ATOM 97 OD1 ASN A 8 -1.584 3.237 -4.442 1.00 1.54 O ATOM 98 ND2 ASN A 8 -2.998 2.305 -5.903 1.00 1.71 N ATOM 99 H ASN A 8 -4.501 1.183 -0.971 1.00 0.37 H ATOM 100 HA ASN A 8 -3.908 0.492 -3.667 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.722 2.771 -4.083 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.592 3.400 -2.885 1.00 0.73 H ATOM 103 HD21 ASN A 8 -3.895 1.917 -6.041 1.00 2.11 H ATOM 104 HD22 ASN A 8 -2.322 2.370 -6.611 1.00 2.15 H ATOM 105 N VAL A 9 -2.014 1.844 -1.321 1.00 0.20 N ATOM 106 CA VAL A 9 -0.687 1.792 -0.732 1.00 0.26 C ATOM 107 C VAL A 9 -0.723 2.357 0.692 1.00 0.23 C ATOM 108 O VAL A 9 0.085 3.195 1.090 1.00 0.34 O ATOM 109 CB VAL A 9 0.343 2.540 -1.620 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.029 4.027 -1.719 1.00 0.65 C ATOM 111 CG2 VAL A 9 1.767 2.316 -1.132 1.00 0.73 C ATOM 112 H VAL A 9 -2.678 2.484 -0.962 1.00 0.19 H ATOM 113 HA VAL A 9 -0.395 0.753 -0.683 1.00 0.30 H ATOM 114 HB VAL A 9 0.269 2.124 -2.613 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.013 4.457 -0.727 1.00 1.16 H ATOM 116 HG12 VAL A 9 -0.937 4.162 -2.184 1.00 1.30 H ATOM 117 HG13 VAL A 9 0.787 4.518 -2.313 1.00 1.09 H ATOM 118 HG21 VAL A 9 1.992 1.259 -1.139 1.00 1.17 H ATOM 119 HG22 VAL A 9 1.867 2.699 -0.127 1.00 1.33 H ATOM 120 HG23 VAL A 9 2.455 2.833 -1.783 1.00 1.40 H ATOM 121 N CYS A 10 -1.695 1.889 1.460 1.00 0.18 N ATOM 122 CA CYS A 10 -1.841 2.313 2.841 1.00 0.28 C ATOM 123 C CYS A 10 -0.727 1.719 3.693 1.00 0.38 C ATOM 124 O CYS A 10 -0.370 2.272 4.735 1.00 0.60 O ATOM 125 CB CYS A 10 -3.212 1.892 3.366 1.00 0.33 C ATOM 126 SG CYS A 10 -3.436 0.089 3.534 1.00 0.44 S ATOM 127 H CYS A 10 -2.343 1.242 1.087 1.00 0.18 H ATOM 128 HA CYS A 10 -1.766 3.389 2.869 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.370 2.333 4.337 1.00 0.48 H ATOM 130 HB3 CYS A 10 -3.967 2.252 2.680 1.00 0.35 H ATOM 131 N CYS A 11 -0.180 0.601 3.220 1.00 0.44 N ATOM 132 CA CYS A 11 0.938 -0.076 3.867 1.00 0.64 C ATOM 133 C CYS A 11 0.547 -0.620 5.240 1.00 1.15 C ATOM 134 O CYS A 11 0.602 0.132 6.233 1.00 1.79 O ATOM 135 CB CYS A 11 2.148 0.855 3.966 1.00 0.65 C ATOM 136 SG CYS A 11 2.726 1.488 2.354 1.00 0.87 S ATOM 137 OXT CYS A 11 0.172 -1.809 5.316 1.00 1.79 O ATOM 138 H CYS A 11 -0.545 0.216 2.400 1.00 0.49 H ATOM 139 HA CYS A 11 1.204 -0.914 3.241 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.891 1.705 4.583 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.966 0.321 4.423 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 7 ATOM 1 N ASP A 1 8.010 3.463 -0.791 1.00 1.83 N ATOM 2 CA ASP A 1 8.314 2.022 -0.629 1.00 1.46 C ATOM 3 C ASP A 1 7.388 1.393 0.397 1.00 1.18 C ATOM 4 O ASP A 1 7.594 1.538 1.600 1.00 1.61 O ATOM 5 CB ASP A 1 9.773 1.816 -0.208 1.00 2.14 C ATOM 6 CG ASP A 1 10.740 2.076 -1.340 1.00 2.80 C ATOM 7 OD1 ASP A 1 11.052 3.253 -1.599 1.00 3.39 O ATOM 8 OD2 ASP A 1 11.193 1.104 -1.973 1.00 3.29 O ATOM 9 H1 ASP A 1 7.038 3.582 -1.157 1.00 2.20 H ATOM 10 H2 ASP A 1 8.677 3.898 -1.462 1.00 2.13 H ATOM 11 H3 ASP A 1 8.085 3.952 0.128 1.00 2.38 H ATOM 12 HA ASP A 1 8.152 1.537 -1.582 1.00 1.80 H ATOM 13 HB2 ASP A 1 10.007 2.488 0.602 1.00 2.50 H ATOM 14 HB3 ASP A 1 9.901 0.796 0.127 1.00 2.65 H ATOM 15 N CYS A 2 6.366 0.700 -0.086 1.00 0.68 N ATOM 16 CA CYS A 2 5.404 0.039 0.782 1.00 0.44 C ATOM 17 C CYS A 2 4.657 -1.033 -0.003 1.00 0.33 C ATOM 18 O CYS A 2 4.779 -1.118 -1.227 1.00 0.57 O ATOM 19 CB CYS A 2 4.420 1.058 1.376 1.00 0.46 C ATOM 20 SG CYS A 2 3.202 0.332 2.524 1.00 0.79 S ATOM 21 H CYS A 2 6.261 0.620 -1.060 1.00 0.80 H ATOM 22 HA CYS A 2 5.952 -0.435 1.585 1.00 0.59 H ATOM 23 HB2 CYS A 2 4.978 1.806 1.917 1.00 0.67 H ATOM 24 HB3 CYS A 2 3.874 1.533 0.573 1.00 0.43 H ATOM 25 N GLN A 3 3.898 -1.852 0.709 1.00 0.38 N ATOM 26 CA GLN A 3 3.173 -2.958 0.109 1.00 0.40 C ATOM 27 C GLN A 3 1.711 -2.590 -0.106 1.00 0.29 C ATOM 28 O GLN A 3 1.053 -2.084 0.805 1.00 0.39 O ATOM 29 CB GLN A 3 3.269 -4.179 1.019 1.00 0.65 C ATOM 30 CG GLN A 3 4.693 -4.643 1.284 1.00 1.47 C ATOM 31 CD GLN A 3 4.775 -5.653 2.410 1.00 2.09 C ATOM 32 OE1 GLN A 3 3.968 -5.623 3.341 1.00 2.58 O ATOM 33 NE2 GLN A 3 5.742 -6.552 2.336 1.00 2.85 N ATOM 34 H GLN A 3 3.812 -1.698 1.677 1.00 0.62 H ATOM 35 HA GLN A 3 3.627 -3.188 -0.845 1.00 0.47 H ATOM 36 HB2 GLN A 3 2.813 -3.938 1.966 1.00 1.26 H ATOM 37 HB3 GLN A 3 2.726 -4.995 0.564 1.00 1.21 H ATOM 38 HG2 GLN A 3 5.086 -5.095 0.385 1.00 2.06 H ATOM 39 HG3 GLN A 3 5.295 -3.785 1.547 1.00 2.10 H ATOM 40 HE21 GLN A 3 6.345 -6.523 1.558 1.00 3.08 H ATOM 41 HE22 GLN A 3 5.825 -7.210 3.065 1.00 3.46 H ATOM 42 N PRO A 4 1.196 -2.823 -1.326 1.00 0.26 N ATOM 43 CA PRO A 4 -0.222 -2.640 -1.656 1.00 0.29 C ATOM 44 C PRO A 4 -1.137 -3.363 -0.667 1.00 0.28 C ATOM 45 O PRO A 4 -1.186 -4.592 -0.630 1.00 0.40 O ATOM 46 CB PRO A 4 -0.331 -3.260 -3.046 1.00 0.42 C ATOM 47 CG PRO A 4 1.009 -3.052 -3.631 1.00 0.47 C ATOM 48 CD PRO A 4 1.967 -3.271 -2.500 1.00 0.38 C ATOM 49 HA PRO A 4 -0.487 -1.594 -1.696 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.555 -4.306 -2.959 1.00 0.43 H ATOM 51 HB3 PRO A 4 -1.096 -2.758 -3.617 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.181 -3.764 -4.422 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.087 -2.049 -4.001 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.221 -4.316 -2.419 1.00 0.45 H ATOM 55 HD3 PRO A 4 2.854 -2.671 -2.632 1.00 0.43 H ATOM 56 N CYS A 5 -1.868 -2.583 0.116 1.00 0.29 N ATOM 57 CA CYS A 5 -2.649 -3.112 1.226 1.00 0.34 C ATOM 58 C CYS A 5 -4.060 -3.498 0.801 1.00 0.44 C ATOM 59 O CYS A 5 -4.712 -4.317 1.448 1.00 1.18 O ATOM 60 CB CYS A 5 -2.733 -2.064 2.316 1.00 0.40 C ATOM 61 SG CYS A 5 -3.458 -0.487 1.750 1.00 0.51 S ATOM 62 H CYS A 5 -1.880 -1.622 -0.054 1.00 0.38 H ATOM 63 HA CYS A 5 -2.145 -3.976 1.618 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.341 -2.444 3.118 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.741 -1.861 2.686 1.00 0.49 H ATOM 66 N GLY A 6 -4.528 -2.915 -0.287 1.00 0.43 N ATOM 67 CA GLY A 6 -5.901 -3.111 -0.686 1.00 0.42 C ATOM 68 C GLY A 6 -6.537 -1.822 -1.152 1.00 0.31 C ATOM 69 O GLY A 6 -7.259 -1.801 -2.147 1.00 0.49 O ATOM 70 H GLY A 6 -3.930 -2.369 -0.847 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.940 -3.836 -1.484 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.456 -3.486 0.160 1.00 0.48 H ATOM 73 N HIS A 7 -6.262 -0.742 -0.430 1.00 0.28 N ATOM 74 CA HIS A 7 -6.786 0.566 -0.792 1.00 0.32 C ATOM 75 C HIS A 7 -5.979 1.116 -1.955 1.00 0.31 C ATOM 76 O HIS A 7 -6.529 1.668 -2.906 1.00 0.55 O ATOM 77 CB HIS A 7 -6.721 1.516 0.411 1.00 0.47 C ATOM 78 CG HIS A 7 -7.500 2.784 0.225 1.00 1.15 C ATOM 79 ND1 HIS A 7 -7.077 4.011 0.692 1.00 1.86 N ATOM 80 CD2 HIS A 7 -8.700 3.003 -0.358 1.00 2.02 C ATOM 81 CE1 HIS A 7 -7.983 4.926 0.402 1.00 2.52 C ATOM 82 NE2 HIS A 7 -8.980 4.341 -0.233 1.00 2.62 N ATOM 83 H HIS A 7 -5.694 -0.828 0.364 1.00 0.44 H ATOM 84 HA HIS A 7 -7.815 0.447 -1.098 1.00 0.39 H ATOM 85 HB2 HIS A 7 -7.113 1.011 1.280 1.00 0.82 H ATOM 86 HB3 HIS A 7 -5.690 1.784 0.594 1.00 0.98 H ATOM 87 HD1 HIS A 7 -6.232 4.187 1.175 1.00 2.24 H ATOM 88 HD2 HIS A 7 -9.326 2.262 -0.833 1.00 2.53 H ATOM 89 HE1 HIS A 7 -7.921 5.975 0.649 1.00 3.21 H ATOM 90 HE2 HIS A 7 -9.865 4.750 -0.387 1.00 3.33 H ATOM 91 N ASN A 8 -4.665 0.929 -1.860 1.00 0.24 N ATOM 92 CA ASN A 8 -3.720 1.334 -2.893 1.00 0.30 C ATOM 93 C ASN A 8 -2.304 1.065 -2.398 1.00 0.29 C ATOM 94 O ASN A 8 -1.582 0.238 -2.955 1.00 0.41 O ATOM 95 CB ASN A 8 -3.867 2.818 -3.234 1.00 0.37 C ATOM 96 CG ASN A 8 -2.917 3.263 -4.335 1.00 0.95 C ATOM 97 OD1 ASN A 8 -2.380 4.371 -4.284 1.00 1.54 O ATOM 98 ND2 ASN A 8 -2.725 2.427 -5.344 1.00 1.71 N ATOM 99 H ASN A 8 -4.316 0.491 -1.060 1.00 0.37 H ATOM 100 HA ASN A 8 -3.906 0.739 -3.777 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.878 3.006 -3.562 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.665 3.402 -2.351 1.00 0.73 H ATOM 103 HD21 ASN A 8 -3.207 1.567 -5.340 1.00 2.11 H ATOM 104 HD22 ASN A 8 -2.106 2.695 -6.054 1.00 2.15 H ATOM 105 N VAL A 9 -1.933 1.749 -1.325 1.00 0.20 N ATOM 106 CA VAL A 9 -0.624 1.590 -0.713 1.00 0.26 C ATOM 107 C VAL A 9 -0.651 2.203 0.693 1.00 0.23 C ATOM 108 O VAL A 9 0.239 2.945 1.104 1.00 0.34 O ATOM 109 CB VAL A 9 0.478 2.222 -1.601 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.293 3.729 -1.742 1.00 0.65 C ATOM 111 CG2 VAL A 9 1.869 1.879 -1.083 1.00 0.73 C ATOM 112 H VAL A 9 -2.562 2.401 -0.933 1.00 0.19 H ATOM 113 HA VAL A 9 -0.428 0.530 -0.632 1.00 0.30 H ATOM 114 HB VAL A 9 0.381 1.793 -2.585 1.00 0.64 H ATOM 115 HG11 VAL A 9 -0.665 3.934 -2.197 1.00 1.16 H ATOM 116 HG12 VAL A 9 1.080 4.132 -2.364 1.00 1.30 H ATOM 117 HG13 VAL A 9 0.334 4.190 -0.767 1.00 1.09 H ATOM 118 HG21 VAL A 9 1.984 2.262 -0.079 1.00 1.17 H ATOM 119 HG22 VAL A 9 2.613 2.324 -1.727 1.00 1.33 H ATOM 120 HG23 VAL A 9 1.994 0.806 -1.075 1.00 1.40 H ATOM 121 N CYS A 10 -1.703 1.870 1.434 1.00 0.18 N ATOM 122 CA CYS A 10 -1.952 2.463 2.746 1.00 0.28 C ATOM 123 C CYS A 10 -1.039 1.874 3.815 1.00 0.38 C ATOM 124 O CYS A 10 -0.983 2.372 4.942 1.00 0.60 O ATOM 125 CB CYS A 10 -3.412 2.240 3.136 1.00 0.33 C ATOM 126 SG CYS A 10 -3.857 0.501 3.476 1.00 0.44 S ATOM 127 H CYS A 10 -2.342 1.202 1.087 1.00 0.18 H ATOM 128 HA CYS A 10 -1.768 3.524 2.674 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.634 2.816 4.022 1.00 0.48 H ATOM 130 HB3 CYS A 10 -4.031 2.582 2.329 1.00 0.35 H ATOM 131 N CYS A 11 -0.342 0.812 3.441 1.00 0.44 N ATOM 132 CA CYS A 11 0.563 0.094 4.336 1.00 0.64 C ATOM 133 C CYS A 11 -0.230 -0.650 5.405 1.00 1.15 C ATOM 134 O CYS A 11 -0.427 -0.102 6.508 1.00 1.79 O ATOM 135 CB CYS A 11 1.582 1.046 4.975 1.00 0.65 C ATOM 136 SG CYS A 11 2.702 1.844 3.777 1.00 0.87 S ATOM 137 OXT CYS A 11 -0.663 -1.787 5.124 1.00 1.79 O ATOM 138 H CYS A 11 -0.447 0.497 2.524 1.00 0.49 H ATOM 139 HA CYS A 11 1.094 -0.633 3.739 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.055 1.828 5.499 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.189 0.495 5.679 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 8 ATOM 1 N ASP A 1 9.151 0.352 -1.142 1.00 1.83 N ATOM 2 CA ASP A 1 9.302 -0.480 0.080 1.00 1.46 C ATOM 3 C ASP A 1 7.980 -0.587 0.842 1.00 1.18 C ATOM 4 O ASP A 1 7.818 -1.458 1.698 1.00 1.61 O ATOM 5 CB ASP A 1 10.393 0.089 0.996 1.00 2.14 C ATOM 6 CG ASP A 1 10.187 1.552 1.314 1.00 2.80 C ATOM 7 OD1 ASP A 1 9.297 1.877 2.121 1.00 3.29 O ATOM 8 OD2 ASP A 1 10.918 2.388 0.753 1.00 3.39 O ATOM 9 H1 ASP A 1 10.056 0.398 -1.665 1.00 2.20 H ATOM 10 H2 ASP A 1 8.858 1.321 -0.892 1.00 2.13 H ATOM 11 H3 ASP A 1 8.427 -0.067 -1.765 1.00 2.38 H ATOM 12 HA ASP A 1 9.594 -1.471 -0.231 1.00 1.80 H ATOM 13 HB2 ASP A 1 10.397 -0.461 1.924 1.00 2.50 H ATOM 14 HB3 ASP A 1 11.355 -0.023 0.513 1.00 2.65 H ATOM 15 N CYS A 2 7.038 0.292 0.534 1.00 0.68 N ATOM 16 CA CYS A 2 5.719 0.231 1.143 1.00 0.44 C ATOM 17 C CYS A 2 4.798 -0.613 0.258 1.00 0.33 C ATOM 18 O CYS A 2 4.815 -0.480 -0.968 1.00 0.57 O ATOM 19 CB CYS A 2 5.164 1.643 1.332 1.00 0.46 C ATOM 20 SG CYS A 2 4.142 1.850 2.825 1.00 0.79 S ATOM 21 H CYS A 2 7.233 1.007 -0.111 1.00 0.80 H ATOM 22 HA CYS A 2 5.817 -0.246 2.104 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.988 2.335 1.403 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.556 1.902 0.479 1.00 0.43 H ATOM 25 N GLN A 3 4.012 -1.485 0.872 1.00 0.38 N ATOM 26 CA GLN A 3 3.239 -2.475 0.125 1.00 0.40 C ATOM 27 C GLN A 3 1.782 -2.057 -0.045 1.00 0.29 C ATOM 28 O GLN A 3 1.132 -1.619 0.905 1.00 0.39 O ATOM 29 CB GLN A 3 3.311 -3.833 0.827 1.00 0.65 C ATOM 30 CG GLN A 3 4.731 -4.358 0.988 1.00 1.47 C ATOM 31 CD GLN A 3 5.426 -4.621 -0.339 1.00 2.09 C ATOM 32 OE1 GLN A 3 6.642 -4.468 -0.452 1.00 2.58 O ATOM 33 NE2 GLN A 3 4.669 -5.038 -1.349 1.00 2.85 N ATOM 34 H GLN A 3 3.937 -1.458 1.850 1.00 0.62 H ATOM 35 HA GLN A 3 3.684 -2.571 -0.855 1.00 0.47 H ATOM 36 HB2 GLN A 3 2.867 -3.744 1.810 1.00 1.26 H ATOM 37 HB3 GLN A 3 2.750 -4.552 0.253 1.00 1.21 H ATOM 38 HG2 GLN A 3 5.307 -3.628 1.538 1.00 2.06 H ATOM 39 HG3 GLN A 3 4.694 -5.281 1.551 1.00 2.10 H ATOM 40 HE21 GLN A 3 3.705 -5.155 -1.196 1.00 3.08 H ATOM 41 HE22 GLN A 3 5.108 -5.227 -2.209 1.00 3.46 H ATOM 42 N PRO A 4 1.263 -2.180 -1.281 1.00 0.26 N ATOM 43 CA PRO A 4 -0.153 -1.954 -1.591 1.00 0.29 C ATOM 44 C PRO A 4 -1.073 -2.748 -0.665 1.00 0.28 C ATOM 45 O PRO A 4 -1.066 -3.980 -0.670 1.00 0.40 O ATOM 46 CB PRO A 4 -0.268 -2.454 -3.030 1.00 0.42 C ATOM 47 CG PRO A 4 1.073 -2.222 -3.600 1.00 0.47 C ATOM 48 CD PRO A 4 2.030 -2.540 -2.489 1.00 0.38 C ATOM 49 HA PRO A 4 -0.407 -0.905 -1.547 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.508 -3.501 -3.029 1.00 0.43 H ATOM 51 HB3 PRO A 4 -1.028 -1.898 -3.557 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.239 -2.877 -4.444 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.166 -1.195 -3.894 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.274 -3.592 -2.488 1.00 0.45 H ATOM 55 HD3 PRO A 4 2.925 -1.941 -2.570 1.00 0.43 H ATOM 56 N CYS A 5 -1.870 -2.029 0.113 1.00 0.29 N ATOM 57 CA CYS A 5 -2.658 -2.625 1.189 1.00 0.34 C ATOM 58 C CYS A 5 -4.039 -3.069 0.720 1.00 0.44 C ATOM 59 O CYS A 5 -4.586 -4.052 1.221 1.00 1.18 O ATOM 60 CB CYS A 5 -2.817 -1.613 2.310 1.00 0.40 C ATOM 61 SG CYS A 5 -3.577 -0.044 1.773 1.00 0.51 S ATOM 62 H CYS A 5 -1.926 -1.067 -0.036 1.00 0.38 H ATOM 63 HA CYS A 5 -2.126 -3.476 1.569 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.437 -2.044 3.081 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.845 -1.389 2.717 1.00 0.49 H ATOM 66 N GLY A 6 -4.593 -2.355 -0.240 1.00 0.43 N ATOM 67 CA GLY A 6 -5.955 -2.614 -0.652 1.00 0.42 C ATOM 68 C GLY A 6 -6.659 -1.349 -1.076 1.00 0.31 C ATOM 69 O GLY A 6 -7.390 -1.342 -2.065 1.00 0.49 O ATOM 70 H GLY A 6 -4.071 -1.665 -0.694 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.944 -3.310 -1.477 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.492 -3.056 0.175 1.00 0.48 H ATOM 73 N HIS A 7 -6.438 -0.267 -0.334 1.00 0.28 N ATOM 74 CA HIS A 7 -6.987 1.029 -0.717 1.00 0.32 C ATOM 75 C HIS A 7 -6.217 1.557 -1.915 1.00 0.31 C ATOM 76 O HIS A 7 -6.791 2.118 -2.847 1.00 0.55 O ATOM 77 CB HIS A 7 -6.915 2.028 0.444 1.00 0.47 C ATOM 78 CG HIS A 7 -7.773 1.658 1.618 1.00 1.15 C ATOM 79 ND1 HIS A 7 -7.585 2.177 2.880 1.00 1.86 N ATOM 80 CD2 HIS A 7 -8.827 0.812 1.720 1.00 2.02 C ATOM 81 CE1 HIS A 7 -8.483 1.670 3.702 1.00 2.52 C ATOM 82 NE2 HIS A 7 -9.247 0.840 3.023 1.00 2.62 N ATOM 83 H HIS A 7 -5.897 -0.345 0.486 1.00 0.44 H ATOM 84 HA HIS A 7 -8.019 0.884 -0.998 1.00 0.39 H ATOM 85 HB2 HIS A 7 -5.893 2.093 0.788 1.00 0.82 H ATOM 86 HB3 HIS A 7 -7.232 3.000 0.094 1.00 0.98 H ATOM 87 HD1 HIS A 7 -6.894 2.838 3.139 1.00 2.24 H ATOM 88 HD2 HIS A 7 -9.251 0.219 0.923 1.00 2.53 H ATOM 89 HE1 HIS A 7 -8.569 1.888 4.757 1.00 3.21 H ATOM 90 HE2 HIS A 7 -9.910 0.227 3.421 1.00 3.33 H ATOM 91 N ASN A 8 -4.903 1.362 -1.858 1.00 0.24 N ATOM 92 CA ASN A 8 -3.998 1.660 -2.961 1.00 0.30 C ATOM 93 C ASN A 8 -2.577 1.334 -2.531 1.00 0.29 C ATOM 94 O ASN A 8 -1.929 0.457 -3.094 1.00 0.41 O ATOM 95 CB ASN A 8 -4.087 3.126 -3.401 1.00 0.37 C ATOM 96 CG ASN A 8 -3.206 3.424 -4.600 1.00 0.95 C ATOM 97 OD1 ASN A 8 -2.033 3.768 -4.454 1.00 1.54 O ATOM 98 ND2 ASN A 8 -3.765 3.305 -5.795 1.00 1.71 N ATOM 99 H ASN A 8 -4.525 1.005 -1.032 1.00 0.37 H ATOM 100 HA ASN A 8 -4.264 1.022 -3.791 1.00 0.39 H ATOM 101 HB2 ASN A 8 -5.109 3.352 -3.666 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.784 3.764 -2.582 1.00 0.73 H ATOM 103 HD21 ASN A 8 -4.710 3.038 -5.839 1.00 2.11 H ATOM 104 HD22 ASN A 8 -3.212 3.479 -6.590 1.00 2.15 H ATOM 105 N VAL A 9 -2.112 2.030 -1.498 1.00 0.20 N ATOM 106 CA VAL A 9 -0.787 1.793 -0.942 1.00 0.26 C ATOM 107 C VAL A 9 -0.689 2.433 0.449 1.00 0.23 C ATOM 108 O VAL A 9 0.265 3.135 0.789 1.00 0.34 O ATOM 109 CB VAL A 9 0.321 2.310 -1.896 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.239 3.819 -2.090 1.00 0.65 C ATOM 111 CG2 VAL A 9 1.708 1.895 -1.417 1.00 0.73 C ATOM 112 H VAL A 9 -2.677 2.736 -1.106 1.00 0.19 H ATOM 113 HA VAL A 9 -0.667 0.726 -0.839 1.00 0.30 H ATOM 114 HB VAL A 9 0.156 1.848 -2.857 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.323 4.310 -1.132 1.00 1.16 H ATOM 116 HG12 VAL A 9 -0.708 4.074 -2.545 1.00 1.30 H ATOM 117 HG13 VAL A 9 1.045 4.142 -2.731 1.00 1.09 H ATOM 118 HG21 VAL A 9 1.759 0.819 -1.350 1.00 1.17 H ATOM 119 HG22 VAL A 9 1.898 2.325 -0.447 1.00 1.33 H ATOM 120 HG23 VAL A 9 2.452 2.247 -2.120 1.00 1.40 H ATOM 121 N CYS A 10 -1.710 2.184 1.258 1.00 0.18 N ATOM 122 CA CYS A 10 -1.757 2.714 2.614 1.00 0.28 C ATOM 123 C CYS A 10 -0.827 1.920 3.522 1.00 0.38 C ATOM 124 O CYS A 10 -0.361 2.426 4.542 1.00 0.60 O ATOM 125 CB CYS A 10 -3.188 2.668 3.158 1.00 0.33 C ATOM 126 SG CYS A 10 -3.827 0.988 3.504 1.00 0.44 S ATOM 127 H CYS A 10 -2.455 1.633 0.936 1.00 0.18 H ATOM 128 HA CYS A 10 -1.423 3.739 2.583 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.231 3.229 4.079 1.00 0.48 H ATOM 130 HB3 CYS A 10 -3.847 3.127 2.437 1.00 0.35 H ATOM 131 N CYS A 11 -0.569 0.674 3.122 1.00 0.44 N ATOM 132 CA CYS A 11 0.328 -0.223 3.841 1.00 0.64 C ATOM 133 C CYS A 11 -0.232 -0.592 5.212 1.00 1.15 C ATOM 134 O CYS A 11 -0.863 -1.667 5.319 1.00 1.79 O ATOM 135 CB CYS A 11 1.719 0.399 3.961 1.00 0.65 C ATOM 136 SG CYS A 11 2.413 0.908 2.354 1.00 0.87 S ATOM 137 OXT CYS A 11 -0.055 0.180 6.172 1.00 1.79 O ATOM 138 H CYS A 11 -0.996 0.351 2.307 1.00 0.49 H ATOM 139 HA CYS A 11 0.407 -1.127 3.256 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.665 1.274 4.592 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.393 -0.320 4.400 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 9 ATOM 1 N ASP A 1 9.055 3.495 -0.880 1.00 1.83 N ATOM 2 CA ASP A 1 8.103 2.480 -1.387 1.00 1.46 C ATOM 3 C ASP A 1 7.599 1.611 -0.252 1.00 1.18 C ATOM 4 O ASP A 1 8.314 1.362 0.720 1.00 1.61 O ATOM 5 CB ASP A 1 8.752 1.595 -2.455 1.00 2.14 C ATOM 6 CG ASP A 1 8.963 2.324 -3.762 1.00 2.80 C ATOM 7 OD1 ASP A 1 8.026 2.367 -4.582 1.00 3.39 O ATOM 8 OD2 ASP A 1 10.068 2.864 -3.975 1.00 3.29 O ATOM 9 H1 ASP A 1 8.584 4.100 -0.172 1.00 2.20 H ATOM 10 H2 ASP A 1 9.394 4.095 -1.661 1.00 2.13 H ATOM 11 H3 ASP A 1 9.875 3.027 -0.435 1.00 2.38 H ATOM 12 HA ASP A 1 7.262 2.997 -1.823 1.00 1.80 H ATOM 13 HB2 ASP A 1 9.711 1.257 -2.096 1.00 2.50 H ATOM 14 HB3 ASP A 1 8.119 0.739 -2.638 1.00 2.65 H ATOM 15 N CYS A 2 6.366 1.155 -0.381 1.00 0.68 N ATOM 16 CA CYS A 2 5.761 0.279 0.607 1.00 0.44 C ATOM 17 C CYS A 2 4.993 -0.829 -0.115 1.00 0.33 C ATOM 18 O CYS A 2 5.081 -0.953 -1.339 1.00 0.57 O ATOM 19 CB CYS A 2 4.837 1.086 1.526 1.00 0.46 C ATOM 20 SG CYS A 2 4.368 0.226 3.065 1.00 0.79 S ATOM 21 H CYS A 2 5.837 1.416 -1.173 1.00 0.80 H ATOM 22 HA CYS A 2 6.553 -0.165 1.192 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.332 2.003 1.806 1.00 0.67 H ATOM 24 HB3 CYS A 2 3.929 1.321 0.992 1.00 0.43 H ATOM 25 N GLN A 3 4.240 -1.627 0.627 1.00 0.38 N ATOM 26 CA GLN A 3 3.564 -2.780 0.056 1.00 0.40 C ATOM 27 C GLN A 3 2.057 -2.549 -0.010 1.00 0.29 C ATOM 28 O GLN A 3 1.427 -2.223 0.999 1.00 0.39 O ATOM 29 CB GLN A 3 3.874 -4.021 0.893 1.00 0.65 C ATOM 30 CG GLN A 3 3.478 -5.330 0.228 1.00 1.47 C ATOM 31 CD GLN A 3 4.201 -5.559 -1.088 1.00 2.09 C ATOM 32 OE1 GLN A 3 3.684 -6.215 -1.990 1.00 2.58 O ATOM 33 NE2 GLN A 3 5.402 -5.019 -1.213 1.00 2.85 N ATOM 34 H GLN A 3 4.122 -1.427 1.582 1.00 0.62 H ATOM 35 HA GLN A 3 3.942 -2.928 -0.945 1.00 0.47 H ATOM 36 HB2 GLN A 3 4.934 -4.052 1.091 1.00 1.26 H ATOM 37 HB3 GLN A 3 3.342 -3.947 1.829 1.00 1.21 H ATOM 38 HG2 GLN A 3 3.712 -6.145 0.895 1.00 2.06 H ATOM 39 HG3 GLN A 3 2.416 -5.313 0.040 1.00 2.10 H ATOM 40 HE21 GLN A 3 5.762 -4.508 -0.459 1.00 3.08 H ATOM 41 HE22 GLN A 3 5.879 -5.140 -2.066 1.00 3.46 H ATOM 42 N PRO A 4 1.471 -2.709 -1.213 1.00 0.26 N ATOM 43 CA PRO A 4 0.030 -2.559 -1.446 1.00 0.29 C ATOM 44 C PRO A 4 -0.815 -3.297 -0.411 1.00 0.28 C ATOM 45 O PRO A 4 -0.638 -4.494 -0.182 1.00 0.40 O ATOM 46 CB PRO A 4 -0.147 -3.169 -2.837 1.00 0.42 C ATOM 47 CG PRO A 4 1.132 -2.880 -3.514 1.00 0.47 C ATOM 48 CD PRO A 4 2.183 -3.055 -2.458 1.00 0.38 C ATOM 49 HA PRO A 4 -0.260 -1.519 -1.470 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.308 -4.226 -2.753 1.00 0.43 H ATOM 51 HB3 PRO A 4 -0.979 -2.702 -3.343 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.289 -3.576 -4.324 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.126 -1.872 -3.877 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.523 -4.078 -2.433 1.00 0.45 H ATOM 55 HD3 PRO A 4 3.011 -2.380 -2.630 1.00 0.43 H ATOM 56 N CYS A 5 -1.739 -2.571 0.196 1.00 0.29 N ATOM 57 CA CYS A 5 -2.512 -3.085 1.318 1.00 0.34 C ATOM 58 C CYS A 5 -3.936 -3.443 0.908 1.00 0.44 C ATOM 59 O CYS A 5 -4.570 -4.308 1.515 1.00 1.18 O ATOM 60 CB CYS A 5 -2.548 -2.038 2.419 1.00 0.40 C ATOM 61 SG CYS A 5 -3.167 -0.414 1.863 1.00 0.51 S ATOM 62 H CYS A 5 -1.908 -1.661 -0.117 1.00 0.38 H ATOM 63 HA CYS A 5 -2.020 -3.963 1.697 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.190 -2.391 3.210 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.550 -1.898 2.806 1.00 0.49 H ATOM 66 N GLY A 6 -4.432 -2.789 -0.130 1.00 0.43 N ATOM 67 CA GLY A 6 -5.820 -2.947 -0.512 1.00 0.42 C ATOM 68 C GLY A 6 -6.385 -1.677 -1.107 1.00 0.31 C ATOM 69 O GLY A 6 -7.002 -1.705 -2.171 1.00 0.49 O ATOM 70 H GLY A 6 -3.844 -2.215 -0.666 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.899 -3.745 -1.237 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.394 -3.210 0.365 1.00 0.48 H ATOM 73 N HIS A 7 -6.170 -0.556 -0.424 1.00 0.28 N ATOM 74 CA HIS A 7 -6.633 0.734 -0.927 1.00 0.32 C ATOM 75 C HIS A 7 -5.710 1.223 -2.034 1.00 0.31 C ATOM 76 O HIS A 7 -6.164 1.667 -3.083 1.00 0.55 O ATOM 77 CB HIS A 7 -6.715 1.775 0.198 1.00 0.47 C ATOM 78 CG HIS A 7 -7.933 1.641 1.065 1.00 1.15 C ATOM 79 ND1 HIS A 7 -9.105 2.311 0.812 1.00 1.86 N ATOM 80 CD2 HIS A 7 -8.155 0.908 2.182 1.00 2.02 C ATOM 81 CE1 HIS A 7 -9.994 2.004 1.735 1.00 2.52 C ATOM 82 NE2 HIS A 7 -9.449 1.150 2.580 1.00 2.62 N ATOM 83 H HIS A 7 -5.687 -0.599 0.434 1.00 0.44 H ATOM 84 HA HIS A 7 -7.620 0.587 -1.341 1.00 0.39 H ATOM 85 HB2 HIS A 7 -5.848 1.674 0.834 1.00 0.82 H ATOM 86 HB3 HIS A 7 -6.725 2.763 -0.237 1.00 0.98 H ATOM 87 HD1 HIS A 7 -9.263 2.932 0.060 1.00 2.24 H ATOM 88 HD2 HIS A 7 -7.447 0.257 2.671 1.00 2.53 H ATOM 89 HE1 HIS A 7 -11.002 2.383 1.788 1.00 3.21 H ATOM 90 HE2 HIS A 7 -9.963 0.580 3.203 1.00 3.33 H ATOM 91 N ASN A 8 -4.412 1.128 -1.787 1.00 0.24 N ATOM 92 CA ASN A 8 -3.393 1.478 -2.774 1.00 0.30 C ATOM 93 C ASN A 8 -2.018 1.074 -2.257 1.00 0.29 C ATOM 94 O ASN A 8 -1.373 0.179 -2.801 1.00 0.41 O ATOM 95 CB ASN A 8 -3.426 2.985 -3.131 1.00 0.37 C ATOM 96 CG ASN A 8 -3.475 3.908 -1.920 1.00 0.95 C ATOM 97 OD1 ASN A 8 -2.449 4.245 -1.336 1.00 1.54 O ATOM 98 ND2 ASN A 8 -4.666 4.348 -1.553 1.00 1.71 N ATOM 99 H ASN A 8 -4.124 0.796 -0.915 1.00 0.37 H ATOM 100 HA ASN A 8 -3.601 0.905 -3.668 1.00 0.39 H ATOM 101 HB2 ASN A 8 -2.542 3.228 -3.699 1.00 0.79 H ATOM 102 HB3 ASN A 8 -4.297 3.178 -3.740 1.00 0.73 H ATOM 103 HD21 ASN A 8 -5.452 4.061 -2.076 1.00 2.11 H ATOM 104 HD22 ASN A 8 -4.719 4.952 -0.778 1.00 2.15 H ATOM 105 N VAL A 9 -1.593 1.726 -1.194 1.00 0.20 N ATOM 106 CA VAL A 9 -0.348 1.410 -0.525 1.00 0.26 C ATOM 107 C VAL A 9 -0.365 2.076 0.855 1.00 0.23 C ATOM 108 O VAL A 9 0.593 2.710 1.293 1.00 0.34 O ATOM 109 CB VAL A 9 0.870 1.857 -1.374 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.897 3.368 -1.573 1.00 0.65 C ATOM 111 CG2 VAL A 9 2.176 1.358 -0.772 1.00 0.73 C ATOM 112 H VAL A 9 -2.127 2.484 -0.857 1.00 0.19 H ATOM 113 HA VAL A 9 -0.304 0.337 -0.399 1.00 0.30 H ATOM 114 HB VAL A 9 0.766 1.401 -2.347 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.954 3.855 -0.612 1.00 1.16 H ATOM 116 HG12 VAL A 9 0.000 3.682 -2.083 1.00 1.30 H ATOM 117 HG13 VAL A 9 1.760 3.636 -2.164 1.00 1.09 H ATOM 118 HG21 VAL A 9 3.007 1.707 -1.367 1.00 1.17 H ATOM 119 HG22 VAL A 9 2.174 0.277 -0.752 1.00 1.33 H ATOM 120 HG23 VAL A 9 2.271 1.734 0.235 1.00 1.40 H ATOM 121 N CYS A 10 -1.500 1.920 1.531 1.00 0.18 N ATOM 122 CA CYS A 10 -1.744 2.579 2.806 1.00 0.28 C ATOM 123 C CYS A 10 -0.755 2.112 3.869 1.00 0.38 C ATOM 124 O CYS A 10 -0.161 2.931 4.571 1.00 0.60 O ATOM 125 CB CYS A 10 -3.185 2.320 3.261 1.00 0.33 C ATOM 126 SG CYS A 10 -3.587 0.564 3.591 1.00 0.44 S ATOM 127 H CYS A 10 -2.198 1.327 1.167 1.00 0.18 H ATOM 128 HA CYS A 10 -1.614 3.641 2.659 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.369 2.870 4.170 1.00 0.48 H ATOM 130 HB3 CYS A 10 -3.863 2.670 2.496 1.00 0.35 H ATOM 131 N CYS A 11 -0.566 0.796 3.956 1.00 0.44 N ATOM 132 CA CYS A 11 0.333 0.197 4.936 1.00 0.64 C ATOM 133 C CYS A 11 -0.052 0.619 6.353 1.00 1.15 C ATOM 134 O CYS A 11 0.685 1.424 6.963 1.00 1.79 O ATOM 135 CB CYS A 11 1.785 0.584 4.641 1.00 0.65 C ATOM 136 SG CYS A 11 2.343 0.125 2.965 1.00 0.87 S ATOM 137 OXT CYS A 11 -1.094 0.145 6.848 1.00 1.79 O ATOM 138 H CYS A 11 -1.054 0.212 3.344 1.00 0.49 H ATOM 139 HA CYS A 11 0.233 -0.876 4.859 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.890 1.652 4.745 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.434 0.093 5.352 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 10 ATOM 1 N ASP A 1 9.155 -0.153 -3.280 1.00 1.83 N ATOM 2 CA ASP A 1 8.361 0.874 -2.574 1.00 1.46 C ATOM 3 C ASP A 1 7.703 0.230 -1.359 1.00 1.18 C ATOM 4 O ASP A 1 8.138 -0.836 -0.918 1.00 1.61 O ATOM 5 CB ASP A 1 7.307 1.464 -3.520 1.00 2.14 C ATOM 6 CG ASP A 1 6.819 2.833 -3.085 1.00 2.80 C ATOM 7 OD1 ASP A 1 5.851 2.899 -2.299 1.00 3.29 O ATOM 8 OD2 ASP A 1 7.408 3.850 -3.505 1.00 3.39 O ATOM 9 H1 ASP A 1 8.548 -0.967 -3.518 1.00 2.20 H ATOM 10 H2 ASP A 1 9.930 -0.483 -2.670 1.00 2.13 H ATOM 11 H3 ASP A 1 9.557 0.238 -4.158 1.00 2.38 H ATOM 12 HA ASP A 1 9.026 1.658 -2.241 1.00 1.80 H ATOM 13 HB2 ASP A 1 7.733 1.558 -4.507 1.00 2.50 H ATOM 14 HB3 ASP A 1 6.459 0.797 -3.561 1.00 2.65 H ATOM 15 N CYS A 2 6.671 0.859 -0.813 1.00 0.68 N ATOM 16 CA CYS A 2 5.966 0.300 0.332 1.00 0.44 C ATOM 17 C CYS A 2 4.967 -0.747 -0.148 1.00 0.33 C ATOM 18 O CYS A 2 4.375 -0.603 -1.217 1.00 0.57 O ATOM 19 CB CYS A 2 5.255 1.401 1.125 1.00 0.46 C ATOM 20 SG CYS A 2 4.683 0.871 2.776 1.00 0.79 S ATOM 21 H CYS A 2 6.359 1.710 -1.205 1.00 0.80 H ATOM 22 HA CYS A 2 6.695 -0.181 0.966 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.930 2.232 1.262 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.390 1.735 0.570 1.00 0.43 H ATOM 25 N GLN A 3 4.797 -1.803 0.638 1.00 0.38 N ATOM 26 CA GLN A 3 3.947 -2.922 0.251 1.00 0.40 C ATOM 27 C GLN A 3 2.470 -2.533 0.301 1.00 0.29 C ATOM 28 O GLN A 3 1.950 -2.147 1.354 1.00 0.39 O ATOM 29 CB GLN A 3 4.220 -4.117 1.168 1.00 0.65 C ATOM 30 CG GLN A 3 3.465 -5.378 0.788 1.00 1.47 C ATOM 31 CD GLN A 3 3.787 -6.529 1.714 1.00 2.09 C ATOM 32 OE1 GLN A 3 4.712 -7.307 1.465 1.00 2.58 O ATOM 33 NE2 GLN A 3 3.041 -6.639 2.796 1.00 2.85 N ATOM 34 H GLN A 3 5.249 -1.826 1.507 1.00 0.62 H ATOM 35 HA GLN A 3 4.198 -3.195 -0.764 1.00 0.47 H ATOM 36 HB2 GLN A 3 5.276 -4.339 1.143 1.00 1.26 H ATOM 37 HB3 GLN A 3 3.943 -3.850 2.177 1.00 1.21 H ATOM 38 HG2 GLN A 3 2.405 -5.179 0.838 1.00 2.06 H ATOM 39 HG3 GLN A 3 3.733 -5.656 -0.221 1.00 2.10 H ATOM 40 HE21 GLN A 3 2.325 -5.971 2.939 1.00 3.08 H ATOM 41 HE22 GLN A 3 3.231 -7.372 3.424 1.00 3.46 H ATOM 42 N PRO A 4 1.786 -2.629 -0.855 1.00 0.26 N ATOM 43 CA PRO A 4 0.362 -2.304 -0.992 1.00 0.29 C ATOM 44 C PRO A 4 -0.507 -3.036 0.025 1.00 0.28 C ATOM 45 O PRO A 4 -0.389 -4.246 0.208 1.00 0.40 O ATOM 46 CB PRO A 4 0.034 -2.780 -2.408 1.00 0.42 C ATOM 47 CG PRO A 4 1.317 -2.666 -3.132 1.00 0.47 C ATOM 48 CD PRO A 4 2.363 -3.071 -2.138 1.00 0.38 C ATOM 49 HA PRO A 4 0.189 -1.240 -0.918 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.303 -3.798 -2.380 1.00 0.43 H ATOM 51 HB3 PRO A 4 -0.724 -2.149 -2.844 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.324 -3.330 -3.984 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.465 -1.651 -3.442 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.498 -4.140 -2.149 1.00 0.45 H ATOM 55 HD3 PRO A 4 3.295 -2.563 -2.339 1.00 0.43 H ATOM 56 N CYS A 5 -1.380 -2.290 0.682 1.00 0.29 N ATOM 57 CA CYS A 5 -2.234 -2.849 1.718 1.00 0.34 C ATOM 58 C CYS A 5 -3.607 -3.221 1.172 1.00 0.44 C ATOM 59 O CYS A 5 -4.154 -4.265 1.518 1.00 1.18 O ATOM 60 CB CYS A 5 -2.388 -1.858 2.856 1.00 0.40 C ATOM 61 SG CYS A 5 -3.017 -0.230 2.335 1.00 0.51 S ATOM 62 H CYS A 5 -1.446 -1.338 0.470 1.00 0.38 H ATOM 63 HA CYS A 5 -1.760 -3.735 2.101 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.072 -2.264 3.580 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.427 -1.706 3.320 1.00 0.49 H ATOM 66 N GLY A 6 -4.162 -2.370 0.319 1.00 0.43 N ATOM 67 CA GLY A 6 -5.486 -2.628 -0.197 1.00 0.42 C ATOM 68 C GLY A 6 -5.996 -1.535 -1.109 1.00 0.31 C ATOM 69 O GLY A 6 -6.298 -1.792 -2.271 1.00 0.49 O ATOM 70 H GLY A 6 -3.670 -1.575 0.036 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.467 -3.559 -0.746 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.167 -2.732 0.636 1.00 0.48 H ATOM 73 N HIS A 7 -6.082 -0.305 -0.609 1.00 0.28 N ATOM 74 CA HIS A 7 -6.703 0.765 -1.392 1.00 0.32 C ATOM 75 C HIS A 7 -5.699 1.439 -2.308 1.00 0.31 C ATOM 76 O HIS A 7 -6.040 1.858 -3.414 1.00 0.55 O ATOM 77 CB HIS A 7 -7.388 1.793 -0.483 1.00 0.47 C ATOM 78 CG HIS A 7 -8.690 1.299 0.081 1.00 1.15 C ATOM 79 ND1 HIS A 7 -8.799 0.699 1.315 1.00 1.86 N ATOM 80 CD2 HIS A 7 -9.937 1.303 -0.441 1.00 2.02 C ATOM 81 CE1 HIS A 7 -10.055 0.349 1.522 1.00 2.52 C ATOM 82 NE2 HIS A 7 -10.769 0.700 0.470 1.00 2.62 N ATOM 83 H HIS A 7 -5.713 -0.108 0.288 1.00 0.44 H ATOM 84 HA HIS A 7 -7.460 0.303 -2.010 1.00 0.39 H ATOM 85 HB2 HIS A 7 -6.733 2.032 0.340 1.00 0.82 H ATOM 86 HB3 HIS A 7 -7.589 2.690 -1.054 1.00 0.98 H ATOM 87 HD1 HIS A 7 -8.062 0.553 1.951 1.00 2.24 H ATOM 88 HD2 HIS A 7 -10.224 1.703 -1.403 1.00 2.53 H ATOM 89 HE1 HIS A 7 -10.437 -0.143 2.407 1.00 3.21 H ATOM 90 HE2 HIS A 7 -11.661 0.338 0.257 1.00 3.33 H ATOM 91 N ASN A 8 -4.464 1.547 -1.852 1.00 0.24 N ATOM 92 CA ASN A 8 -3.395 2.071 -2.685 1.00 0.30 C ATOM 93 C ASN A 8 -2.047 1.710 -2.090 1.00 0.29 C ATOM 94 O ASN A 8 -1.309 0.902 -2.648 1.00 0.41 O ATOM 95 CB ASN A 8 -3.515 3.591 -2.837 1.00 0.37 C ATOM 96 CG ASN A 8 -2.415 4.178 -3.705 1.00 0.95 C ATOM 97 OD1 ASN A 8 -1.927 3.536 -4.635 1.00 1.54 O ATOM 98 ND2 ASN A 8 -2.014 5.402 -3.398 1.00 1.71 N ATOM 99 H ASN A 8 -4.265 1.281 -0.929 1.00 0.37 H ATOM 100 HA ASN A 8 -3.477 1.613 -3.659 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.467 3.825 -3.289 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.461 4.047 -1.860 1.00 0.73 H ATOM 103 HD21 ASN A 8 -2.446 5.855 -2.638 1.00 2.11 H ATOM 104 HD22 ASN A 8 -1.302 5.805 -3.935 1.00 2.15 H ATOM 105 N VAL A 9 -1.748 2.279 -0.932 1.00 0.20 N ATOM 106 CA VAL A 9 -0.466 2.061 -0.294 1.00 0.26 C ATOM 107 C VAL A 9 -0.490 2.635 1.131 1.00 0.23 C ATOM 108 O VAL A 9 0.388 3.390 1.548 1.00 0.34 O ATOM 109 CB VAL A 9 0.687 2.665 -1.144 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.570 4.179 -1.266 1.00 0.65 C ATOM 111 CG2 VAL A 9 2.049 2.258 -0.600 1.00 0.73 C ATOM 112 H VAL A 9 -2.413 2.858 -0.489 1.00 0.19 H ATOM 113 HA VAL A 9 -0.310 0.991 -0.233 1.00 0.30 H ATOM 114 HB VAL A 9 0.599 2.251 -2.138 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.618 4.624 -0.282 1.00 1.16 H ATOM 116 HG12 VAL A 9 -0.370 4.433 -1.730 1.00 1.30 H ATOM 117 HG13 VAL A 9 1.384 4.555 -1.868 1.00 1.09 H ATOM 118 HG21 VAL A 9 2.824 2.711 -1.199 1.00 1.17 H ATOM 119 HG22 VAL A 9 2.145 1.182 -0.637 1.00 1.33 H ATOM 120 HG23 VAL A 9 2.140 2.593 0.425 1.00 1.40 H ATOM 121 N CYS A 10 -1.533 2.287 1.875 1.00 0.18 N ATOM 122 CA CYS A 10 -1.645 2.717 3.263 1.00 0.28 C ATOM 123 C CYS A 10 -0.592 2.015 4.114 1.00 0.38 C ATOM 124 O CYS A 10 -0.198 2.512 5.171 1.00 0.60 O ATOM 125 CB CYS A 10 -3.052 2.444 3.802 1.00 0.33 C ATOM 126 SG CYS A 10 -3.440 0.687 4.094 1.00 0.44 S ATOM 127 H CYS A 10 -2.256 1.738 1.481 1.00 0.18 H ATOM 128 HA CYS A 10 -1.457 3.780 3.293 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.179 2.965 4.739 1.00 0.48 H ATOM 130 HB3 CYS A 10 -3.770 2.821 3.087 1.00 0.35 H ATOM 131 N CYS A 11 -0.133 0.866 3.614 1.00 0.44 N ATOM 132 CA CYS A 11 0.925 0.084 4.251 1.00 0.64 C ATOM 133 C CYS A 11 0.444 -0.524 5.561 1.00 1.15 C ATOM 134 O CYS A 11 0.628 0.106 6.620 1.00 1.79 O ATOM 135 CB CYS A 11 2.174 0.937 4.478 1.00 0.65 C ATOM 136 SG CYS A 11 2.838 1.691 2.957 1.00 0.87 S ATOM 137 OXT CYS A 11 -0.119 -1.641 5.526 1.00 1.79 O ATOM 138 H CYS A 11 -0.528 0.529 2.787 1.00 0.49 H ATOM 139 HA CYS A 11 1.178 -0.723 3.577 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.933 1.736 5.164 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.950 0.320 4.908 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 11 ATOM 1 N ASP A 1 9.066 1.604 0.457 1.00 1.83 N ATOM 2 CA ASP A 1 9.043 0.464 1.407 1.00 1.46 C ATOM 3 C ASP A 1 7.650 0.258 1.977 1.00 1.18 C ATOM 4 O ASP A 1 7.460 0.146 3.192 1.00 1.61 O ATOM 5 CB ASP A 1 10.061 0.675 2.526 1.00 2.14 C ATOM 6 CG ASP A 1 11.469 0.408 2.050 1.00 2.80 C ATOM 7 OD1 ASP A 1 12.023 1.255 1.317 1.00 3.39 O ATOM 8 OD2 ASP A 1 12.037 -0.639 2.423 1.00 3.29 O ATOM 9 H1 ASP A 1 8.477 1.389 -0.376 1.00 2.20 H ATOM 10 H2 ASP A 1 10.042 1.783 0.136 1.00 2.13 H ATOM 11 H3 ASP A 1 8.698 2.467 0.916 1.00 2.38 H ATOM 12 HA ASP A 1 9.313 -0.425 0.858 1.00 1.80 H ATOM 13 HB2 ASP A 1 10.003 1.695 2.874 1.00 2.50 H ATOM 14 HB3 ASP A 1 9.840 0.004 3.343 1.00 2.65 H ATOM 15 N CYS A 2 6.679 0.204 1.085 1.00 0.68 N ATOM 16 CA CYS A 2 5.303 -0.062 1.448 1.00 0.44 C ATOM 17 C CYS A 2 4.666 -0.922 0.365 1.00 0.33 C ATOM 18 O CYS A 2 4.810 -0.636 -0.827 1.00 0.57 O ATOM 19 CB CYS A 2 4.528 1.244 1.619 1.00 0.46 C ATOM 20 SG CYS A 2 2.798 1.016 2.141 1.00 0.79 S ATOM 21 H CYS A 2 6.898 0.338 0.135 1.00 0.80 H ATOM 22 HA CYS A 2 5.299 -0.607 2.380 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.019 1.850 2.367 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.521 1.777 0.679 1.00 0.43 H ATOM 25 N GLN A 3 3.989 -1.980 0.778 1.00 0.38 N ATOM 26 CA GLN A 3 3.380 -2.908 -0.160 1.00 0.40 C ATOM 27 C GLN A 3 1.972 -2.456 -0.519 1.00 0.29 C ATOM 28 O GLN A 3 1.227 -1.957 0.328 1.00 0.39 O ATOM 29 CB GLN A 3 3.351 -4.321 0.432 1.00 0.65 C ATOM 30 CG GLN A 3 2.570 -4.432 1.731 1.00 1.47 C ATOM 31 CD GLN A 3 2.618 -5.823 2.320 1.00 2.09 C ATOM 32 OE1 GLN A 3 3.513 -6.147 3.099 1.00 2.58 O ATOM 33 NE2 GLN A 3 1.664 -6.658 1.949 1.00 2.85 N ATOM 34 H GLN A 3 3.881 -2.134 1.740 1.00 0.62 H ATOM 35 HA GLN A 3 3.980 -2.918 -1.060 1.00 0.47 H ATOM 36 HB2 GLN A 3 2.901 -4.989 -0.286 1.00 1.26 H ATOM 37 HB3 GLN A 3 4.367 -4.643 0.619 1.00 1.21 H ATOM 38 HG2 GLN A 3 2.986 -3.739 2.448 1.00 2.06 H ATOM 39 HG3 GLN A 3 1.539 -4.172 1.537 1.00 2.10 H ATOM 40 HE21 GLN A 3 0.989 -6.337 1.307 1.00 3.08 H ATOM 41 HE22 GLN A 3 1.662 -7.564 2.334 1.00 3.46 H ATOM 42 N PRO A 4 1.617 -2.582 -1.805 1.00 0.26 N ATOM 43 CA PRO A 4 0.266 -2.308 -2.301 1.00 0.29 C ATOM 44 C PRO A 4 -0.804 -3.017 -1.477 1.00 0.28 C ATOM 45 O PRO A 4 -0.987 -4.230 -1.587 1.00 0.40 O ATOM 46 CB PRO A 4 0.314 -2.869 -3.723 1.00 0.42 C ATOM 47 CG PRO A 4 1.723 -2.696 -4.128 1.00 0.47 C ATOM 48 CD PRO A 4 2.524 -2.986 -2.893 1.00 0.38 C ATOM 49 HA PRO A 4 0.062 -1.246 -2.330 1.00 0.33 H ATOM 50 HB2 PRO A 4 0.042 -3.905 -3.711 1.00 0.43 H ATOM 51 HB3 PRO A 4 -0.355 -2.312 -4.363 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.970 -3.395 -4.914 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.883 -1.689 -4.454 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.755 -4.036 -2.828 1.00 0.45 H ATOM 55 HD3 PRO A 4 3.428 -2.394 -2.879 1.00 0.43 H ATOM 56 N CYS A 5 -1.504 -2.247 -0.658 1.00 0.29 N ATOM 57 CA CYS A 5 -2.479 -2.792 0.274 1.00 0.34 C ATOM 58 C CYS A 5 -3.855 -2.862 -0.371 1.00 0.44 C ATOM 59 O CYS A 5 -3.981 -2.841 -1.596 1.00 1.18 O ATOM 60 CB CYS A 5 -2.559 -1.906 1.508 1.00 0.40 C ATOM 61 SG CYS A 5 -3.295 -0.270 1.176 1.00 0.51 S ATOM 62 H CYS A 5 -1.363 -1.281 -0.685 1.00 0.38 H ATOM 63 HA CYS A 5 -2.161 -3.775 0.571 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.161 -2.400 2.257 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.565 -1.756 1.891 1.00 0.49 H ATOM 66 N GLY A 6 -4.881 -2.939 0.465 1.00 0.43 N ATOM 67 CA GLY A 6 -6.244 -2.946 -0.013 1.00 0.42 C ATOM 68 C GLY A 6 -6.610 -1.690 -0.783 1.00 0.31 C ATOM 69 O GLY A 6 -7.142 -1.771 -1.889 1.00 0.49 O ATOM 70 H GLY A 6 -4.708 -3.003 1.433 1.00 1.00 H ATOM 71 HA2 GLY A 6 -6.392 -3.804 -0.648 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.896 -3.024 0.841 1.00 0.48 H ATOM 73 N HIS A 7 -6.313 -0.534 -0.206 1.00 0.28 N ATOM 74 CA HIS A 7 -6.697 0.735 -0.809 1.00 0.32 C ATOM 75 C HIS A 7 -5.858 1.003 -2.054 1.00 0.31 C ATOM 76 O HIS A 7 -6.389 1.284 -3.123 1.00 0.55 O ATOM 77 CB HIS A 7 -6.530 1.872 0.201 1.00 0.47 C ATOM 78 CG HIS A 7 -7.165 3.161 -0.233 1.00 1.15 C ATOM 79 ND1 HIS A 7 -6.459 4.333 -0.393 1.00 1.86 N ATOM 80 CD2 HIS A 7 -8.451 3.462 -0.517 1.00 2.02 C ATOM 81 CE1 HIS A 7 -7.282 5.296 -0.758 1.00 2.52 C ATOM 82 NE2 HIS A 7 -8.499 4.794 -0.841 1.00 2.62 N ATOM 83 H HIS A 7 -5.824 -0.533 0.647 1.00 0.44 H ATOM 84 HA HIS A 7 -7.737 0.668 -1.097 1.00 0.39 H ATOM 85 HB2 HIS A 7 -6.983 1.581 1.137 1.00 0.82 H ATOM 86 HB3 HIS A 7 -5.478 2.056 0.356 1.00 0.98 H ATOM 87 HD1 HIS A 7 -5.486 4.444 -0.259 1.00 2.24 H ATOM 88 HD2 HIS A 7 -9.288 2.778 -0.498 1.00 2.53 H ATOM 89 HE1 HIS A 7 -7.008 6.323 -0.953 1.00 3.21 H ATOM 90 HE2 HIS A 7 -9.322 5.322 -0.949 1.00 3.33 H ATOM 91 N ASN A 8 -4.546 0.900 -1.895 1.00 0.24 N ATOM 92 CA ASN A 8 -3.605 1.113 -2.991 1.00 0.30 C ATOM 93 C ASN A 8 -2.191 0.897 -2.480 1.00 0.29 C ATOM 94 O ASN A 8 -1.503 -0.037 -2.884 1.00 0.41 O ATOM 95 CB ASN A 8 -3.738 2.527 -3.574 1.00 0.37 C ATOM 96 CG ASN A 8 -2.760 2.790 -4.706 1.00 0.95 C ATOM 97 OD1 ASN A 8 -1.638 3.240 -4.476 1.00 1.54 O ATOM 98 ND2 ASN A 8 -3.182 2.534 -5.933 1.00 1.71 N ATOM 99 H ASN A 8 -4.196 0.660 -1.013 1.00 0.37 H ATOM 100 HA ASN A 8 -3.815 0.383 -3.761 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.739 2.658 -3.956 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.559 3.251 -2.794 1.00 0.73 H ATOM 103 HD21 ASN A 8 -4.102 2.195 -6.049 1.00 2.11 H ATOM 104 HD22 ASN A 8 -2.564 2.691 -6.676 1.00 2.15 H ATOM 105 N VAL A 9 -1.778 1.761 -1.568 1.00 0.20 N ATOM 106 CA VAL A 9 -0.481 1.653 -0.922 1.00 0.26 C ATOM 107 C VAL A 9 -0.563 2.337 0.450 1.00 0.23 C ATOM 108 O VAL A 9 0.302 3.112 0.856 1.00 0.34 O ATOM 109 CB VAL A 9 0.637 2.258 -1.812 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.442 3.755 -2.021 1.00 0.65 C ATOM 111 CG2 VAL A 9 2.022 1.956 -1.250 1.00 0.73 C ATOM 112 H VAL A 9 -2.362 2.510 -1.329 1.00 0.19 H ATOM 113 HA VAL A 9 -0.269 0.600 -0.780 1.00 0.30 H ATOM 114 HB VAL A 9 0.566 1.782 -2.778 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.468 4.260 -1.067 1.00 1.16 H ATOM 116 HG12 VAL A 9 -0.514 3.931 -2.494 1.00 1.30 H ATOM 117 HG13 VAL A 9 1.231 4.137 -2.652 1.00 1.09 H ATOM 118 HG21 VAL A 9 2.176 0.886 -1.227 1.00 1.17 H ATOM 119 HG22 VAL A 9 2.099 2.352 -0.249 1.00 1.33 H ATOM 120 HG23 VAL A 9 2.772 2.414 -1.879 1.00 1.40 H ATOM 121 N CYS A 10 -1.646 2.030 1.156 1.00 0.18 N ATOM 122 CA CYS A 10 -1.974 2.674 2.423 1.00 0.28 C ATOM 123 C CYS A 10 -1.022 2.262 3.538 1.00 0.38 C ATOM 124 O CYS A 10 -0.908 2.956 4.548 1.00 0.60 O ATOM 125 CB CYS A 10 -3.400 2.299 2.811 1.00 0.33 C ATOM 126 SG CYS A 10 -3.659 0.502 3.018 1.00 0.44 S ATOM 127 H CYS A 10 -2.256 1.327 0.818 1.00 0.18 H ATOM 128 HA CYS A 10 -1.917 3.741 2.284 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.657 2.782 3.741 1.00 0.48 H ATOM 130 HB3 CYS A 10 -4.066 2.638 2.037 1.00 0.35 H ATOM 131 N CYS A 11 -0.355 1.130 3.334 1.00 0.44 N ATOM 132 CA CYS A 11 0.554 0.548 4.323 1.00 0.64 C ATOM 133 C CYS A 11 -0.243 -0.064 5.473 1.00 1.15 C ATOM 134 O CYS A 11 -0.642 -1.243 5.354 1.00 1.79 O ATOM 135 CB CYS A 11 1.554 1.586 4.856 1.00 0.65 C ATOM 136 SG CYS A 11 2.523 2.436 3.563 1.00 0.87 S ATOM 137 OXT CYS A 11 -0.488 0.634 6.479 1.00 1.79 O ATOM 138 H CYS A 11 -0.487 0.665 2.487 1.00 0.49 H ATOM 139 HA CYS A 11 1.102 -0.244 3.831 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.016 2.341 5.409 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.252 1.093 5.518 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 12 ATOM 1 N ASP A 1 10.083 0.985 -0.626 1.00 1.83 N ATOM 2 CA ASP A 1 9.028 0.179 -1.284 1.00 1.46 C ATOM 3 C ASP A 1 8.063 -0.387 -0.256 1.00 1.18 C ATOM 4 O ASP A 1 8.345 -1.403 0.380 1.00 1.61 O ATOM 5 CB ASP A 1 9.648 -0.966 -2.086 1.00 2.14 C ATOM 6 CG ASP A 1 10.365 -0.483 -3.327 1.00 2.80 C ATOM 7 OD1 ASP A 1 11.526 -0.043 -3.216 1.00 3.29 O ATOM 8 OD2 ASP A 1 9.777 -0.553 -4.424 1.00 3.39 O ATOM 9 H1 ASP A 1 9.667 1.829 -0.177 1.00 2.20 H ATOM 10 H2 ASP A 1 10.790 1.295 -1.323 1.00 2.13 H ATOM 11 H3 ASP A 1 10.566 0.420 0.108 1.00 2.38 H ATOM 12 HA ASP A 1 8.481 0.822 -1.956 1.00 1.80 H ATOM 13 HB2 ASP A 1 10.358 -1.490 -1.464 1.00 2.50 H ATOM 14 HB3 ASP A 1 8.867 -1.649 -2.387 1.00 2.65 H ATOM 15 N CYS A 2 6.930 0.272 -0.080 1.00 0.68 N ATOM 16 CA CYS A 2 5.915 -0.209 0.842 1.00 0.44 C ATOM 17 C CYS A 2 4.920 -1.101 0.107 1.00 0.33 C ATOM 18 O CYS A 2 4.619 -0.880 -1.071 1.00 0.57 O ATOM 19 CB CYS A 2 5.190 0.961 1.509 1.00 0.46 C ATOM 20 SG CYS A 2 4.216 0.472 2.970 1.00 0.79 S ATOM 21 H CYS A 2 6.775 1.110 -0.579 1.00 0.80 H ATOM 22 HA CYS A 2 6.410 -0.795 1.599 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.916 1.693 1.828 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.515 1.413 0.797 1.00 0.43 H ATOM 25 N GLN A 3 4.421 -2.109 0.806 1.00 0.38 N ATOM 26 CA GLN A 3 3.529 -3.092 0.213 1.00 0.40 C ATOM 27 C GLN A 3 2.102 -2.558 0.121 1.00 0.29 C ATOM 28 O GLN A 3 1.540 -2.084 1.112 1.00 0.39 O ATOM 29 CB GLN A 3 3.558 -4.378 1.043 1.00 0.65 C ATOM 30 CG GLN A 3 2.716 -5.503 0.465 1.00 1.47 C ATOM 31 CD GLN A 3 2.840 -6.783 1.260 1.00 2.09 C ATOM 32 OE1 GLN A 3 2.071 -7.034 2.184 1.00 2.58 O ATOM 33 NE2 GLN A 3 3.820 -7.599 0.907 1.00 2.85 N ATOM 34 H GLN A 3 4.655 -2.191 1.759 1.00 0.62 H ATOM 35 HA GLN A 3 3.885 -3.305 -0.782 1.00 0.47 H ATOM 36 HB2 GLN A 3 4.578 -4.724 1.113 1.00 1.26 H ATOM 37 HB3 GLN A 3 3.194 -4.160 2.037 1.00 1.21 H ATOM 38 HG2 GLN A 3 1.681 -5.194 0.464 1.00 2.06 H ATOM 39 HG3 GLN A 3 3.036 -5.692 -0.549 1.00 2.10 H ATOM 40 HE21 GLN A 3 4.405 -7.329 0.160 1.00 3.08 H ATOM 41 HE22 GLN A 3 3.926 -8.444 1.400 1.00 3.46 H ATOM 42 N PRO A 4 1.512 -2.612 -1.088 1.00 0.26 N ATOM 43 CA PRO A 4 0.108 -2.250 -1.314 1.00 0.29 C ATOM 44 C PRO A 4 -0.823 -2.982 -0.355 1.00 0.28 C ATOM 45 O PRO A 4 -0.820 -4.211 -0.286 1.00 0.40 O ATOM 46 CB PRO A 4 -0.133 -2.699 -2.754 1.00 0.42 C ATOM 47 CG PRO A 4 1.195 -2.585 -3.392 1.00 0.47 C ATOM 48 CD PRO A 4 2.172 -3.021 -2.342 1.00 0.38 C ATOM 49 HA PRO A 4 -0.049 -1.184 -1.230 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.479 -3.715 -2.764 1.00 0.43 H ATOM 51 HB3 PRO A 4 -0.856 -2.052 -3.226 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.251 -3.230 -4.257 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.374 -1.565 -3.668 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.308 -4.091 -2.374 1.00 0.45 H ATOM 55 HD3 PRO A 4 3.119 -2.514 -2.465 1.00 0.43 H ATOM 56 N CYS A 5 -1.619 -2.226 0.382 1.00 0.29 N ATOM 57 CA CYS A 5 -2.449 -2.796 1.433 1.00 0.34 C ATOM 58 C CYS A 5 -3.816 -3.216 0.915 1.00 0.44 C ATOM 59 O CYS A 5 -4.424 -4.146 1.446 1.00 1.18 O ATOM 60 CB CYS A 5 -2.614 -1.789 2.558 1.00 0.40 C ATOM 61 SG CYS A 5 -3.283 -0.178 2.018 1.00 0.51 S ATOM 62 H CYS A 5 -1.638 -1.260 0.227 1.00 0.38 H ATOM 63 HA CYS A 5 -1.945 -3.661 1.827 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.286 -2.199 3.291 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.652 -1.613 3.015 1.00 0.49 H ATOM 66 N GLY A 6 -4.288 -2.545 -0.127 1.00 0.43 N ATOM 67 CA GLY A 6 -5.613 -2.824 -0.641 1.00 0.42 C ATOM 68 C GLY A 6 -6.321 -1.571 -1.106 1.00 0.31 C ATOM 69 O GLY A 6 -6.879 -1.537 -2.203 1.00 0.49 O ATOM 70 H GLY A 6 -3.728 -1.873 -0.560 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.534 -3.512 -1.471 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.200 -3.282 0.140 1.00 0.48 H ATOM 73 N HIS A 7 -6.286 -0.533 -0.275 1.00 0.28 N ATOM 74 CA HIS A 7 -6.914 0.735 -0.626 1.00 0.32 C ATOM 75 C HIS A 7 -6.110 1.398 -1.737 1.00 0.31 C ATOM 76 O HIS A 7 -6.667 2.019 -2.638 1.00 0.55 O ATOM 77 CB HIS A 7 -6.993 1.650 0.603 1.00 0.47 C ATOM 78 CG HIS A 7 -7.714 2.946 0.365 1.00 1.15 C ATOM 79 ND1 HIS A 7 -7.299 4.144 0.904 1.00 1.86 N ATOM 80 CD2 HIS A 7 -8.846 3.219 -0.328 1.00 2.02 C ATOM 81 CE1 HIS A 7 -8.141 5.095 0.552 1.00 2.52 C ATOM 82 NE2 HIS A 7 -9.087 4.564 -0.194 1.00 2.62 N ATOM 83 H HIS A 7 -5.827 -0.621 0.593 1.00 0.44 H ATOM 84 HA HIS A 7 -7.911 0.531 -0.986 1.00 0.39 H ATOM 85 HB2 HIS A 7 -7.509 1.130 1.393 1.00 0.82 H ATOM 86 HB3 HIS A 7 -5.991 1.884 0.931 1.00 0.98 H ATOM 87 HD1 HIS A 7 -6.510 4.279 1.471 1.00 2.24 H ATOM 88 HD2 HIS A 7 -9.445 2.512 -0.883 1.00 2.53 H ATOM 89 HE1 HIS A 7 -8.066 6.136 0.827 1.00 3.21 H ATOM 90 HE2 HIS A 7 -9.915 5.028 -0.476 1.00 3.33 H ATOM 91 N ASN A 8 -4.797 1.231 -1.647 1.00 0.24 N ATOM 92 CA ASN A 8 -3.850 1.687 -2.663 1.00 0.30 C ATOM 93 C ASN A 8 -2.448 1.427 -2.148 1.00 0.29 C ATOM 94 O ASN A 8 -1.745 0.542 -2.625 1.00 0.41 O ATOM 95 CB ASN A 8 -4.016 3.182 -2.980 1.00 0.37 C ATOM 96 CG ASN A 8 -3.133 3.635 -4.131 1.00 0.95 C ATOM 97 OD1 ASN A 8 -2.852 2.872 -5.053 1.00 1.54 O ATOM 98 ND2 ASN A 8 -2.683 4.879 -4.083 1.00 1.71 N ATOM 99 H ASN A 8 -4.443 0.774 -0.860 1.00 0.37 H ATOM 100 HA ASN A 8 -4.011 1.107 -3.558 1.00 0.39 H ATOM 101 HB2 ASN A 8 -5.044 3.374 -3.245 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.759 3.761 -2.104 1.00 0.73 H ATOM 103 HD21 ASN A 8 -2.938 5.439 -3.318 1.00 2.11 H ATOM 104 HD22 ASN A 8 -2.114 5.195 -4.818 1.00 2.15 H ATOM 105 N VAL A 9 -2.083 2.171 -1.118 1.00 0.20 N ATOM 106 CA VAL A 9 -0.785 2.037 -0.490 1.00 0.26 C ATOM 107 C VAL A 9 -0.841 2.667 0.906 1.00 0.23 C ATOM 108 O VAL A 9 0.019 3.446 1.310 1.00 0.34 O ATOM 109 CB VAL A 9 0.326 2.670 -1.369 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.108 4.168 -1.555 1.00 0.65 C ATOM 111 CG2 VAL A 9 1.715 2.374 -0.808 1.00 0.73 C ATOM 112 H VAL A 9 -2.716 2.837 -0.765 1.00 0.19 H ATOM 113 HA VAL A 9 -0.578 0.981 -0.390 1.00 0.30 H ATOM 114 HB VAL A 9 0.262 2.211 -2.343 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.150 4.658 -0.595 1.00 1.16 H ATOM 116 HG12 VAL A 9 -0.862 4.334 -2.004 1.00 1.30 H ATOM 117 HG13 VAL A 9 0.879 4.567 -2.199 1.00 1.09 H ATOM 118 HG21 VAL A 9 2.464 2.824 -1.440 1.00 1.17 H ATOM 119 HG22 VAL A 9 1.869 1.306 -0.776 1.00 1.33 H ATOM 120 HG23 VAL A 9 1.792 2.779 0.191 1.00 1.40 H ATOM 121 N CYS A 10 -1.893 2.326 1.640 1.00 0.18 N ATOM 122 CA CYS A 10 -2.117 2.885 2.968 1.00 0.28 C ATOM 123 C CYS A 10 -1.055 2.394 3.950 1.00 0.38 C ATOM 124 O CYS A 10 -0.690 3.108 4.884 1.00 0.60 O ATOM 125 CB CYS A 10 -3.521 2.521 3.462 1.00 0.33 C ATOM 126 SG CYS A 10 -3.791 0.738 3.758 1.00 0.44 S ATOM 127 H CYS A 10 -2.543 1.672 1.283 1.00 0.18 H ATOM 128 HA CYS A 10 -2.042 3.960 2.888 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.715 3.040 4.389 1.00 0.48 H ATOM 130 HB3 CYS A 10 -4.241 2.842 2.721 1.00 0.35 H ATOM 131 N CYS A 11 -0.556 1.181 3.706 1.00 0.44 N ATOM 132 CA CYS A 11 0.477 0.569 4.538 1.00 0.64 C ATOM 133 C CYS A 11 -0.004 0.408 5.978 1.00 1.15 C ATOM 134 O CYS A 11 0.329 1.258 6.831 1.00 1.79 O ATOM 135 CB CYS A 11 1.771 1.391 4.487 1.00 0.65 C ATOM 136 SG CYS A 11 2.491 1.530 2.818 1.00 0.87 S ATOM 137 OXT CYS A 11 -0.720 -0.583 6.251 1.00 1.79 O ATOM 138 H CYS A 11 -0.895 0.682 2.940 1.00 0.49 H ATOM 139 HA CYS A 11 0.677 -0.414 4.137 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.569 2.390 4.843 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.509 0.927 5.127 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 13 ATOM 1 N ASP A 1 8.775 3.207 -0.229 1.00 1.83 N ATOM 2 CA ASP A 1 8.221 1.988 -0.856 1.00 1.46 C ATOM 3 C ASP A 1 7.396 1.217 0.153 1.00 1.18 C ATOM 4 O ASP A 1 7.700 1.216 1.346 1.00 1.61 O ATOM 5 CB ASP A 1 9.341 1.099 -1.392 1.00 2.14 C ATOM 6 CG ASP A 1 10.306 0.666 -0.311 1.00 2.80 C ATOM 7 OD1 ASP A 1 11.160 1.485 0.077 1.00 3.39 O ATOM 8 OD2 ASP A 1 10.216 -0.489 0.159 1.00 3.29 O ATOM 9 H1 ASP A 1 9.348 2.952 0.604 1.00 2.20 H ATOM 10 H2 ASP A 1 7.996 3.826 0.082 1.00 2.13 H ATOM 11 H3 ASP A 1 9.371 3.725 -0.907 1.00 2.38 H ATOM 12 HA ASP A 1 7.581 2.288 -1.676 1.00 1.80 H ATOM 13 HB2 ASP A 1 8.907 0.214 -1.833 1.00 2.50 H ATOM 14 HB3 ASP A 1 9.891 1.643 -2.145 1.00 2.65 H ATOM 15 N CYS A 2 6.344 0.581 -0.326 1.00 0.68 N ATOM 16 CA CYS A 2 5.489 -0.227 0.530 1.00 0.44 C ATOM 17 C CYS A 2 4.607 -1.126 -0.325 1.00 0.33 C ATOM 18 O CYS A 2 4.540 -0.957 -1.545 1.00 0.57 O ATOM 19 CB CYS A 2 4.627 0.670 1.423 1.00 0.46 C ATOM 20 SG CYS A 2 3.889 -0.197 2.845 1.00 0.79 S ATOM 21 H CYS A 2 6.126 0.659 -1.284 1.00 0.80 H ATOM 22 HA CYS A 2 6.127 -0.843 1.149 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.232 1.478 1.806 1.00 0.67 H ATOM 24 HB3 CYS A 2 3.820 1.078 0.833 1.00 0.43 H ATOM 25 N GLN A 3 3.927 -2.070 0.310 1.00 0.38 N ATOM 26 CA GLN A 3 3.099 -3.021 -0.409 1.00 0.40 C ATOM 27 C GLN A 3 1.618 -2.713 -0.199 1.00 0.29 C ATOM 28 O GLN A 3 1.128 -2.723 0.933 1.00 0.39 O ATOM 29 CB GLN A 3 3.410 -4.445 0.048 1.00 0.65 C ATOM 30 CG GLN A 3 4.865 -4.841 -0.133 1.00 1.47 C ATOM 31 CD GLN A 3 5.341 -4.717 -1.571 1.00 2.09 C ATOM 32 OE1 GLN A 3 4.568 -4.877 -2.518 1.00 2.58 O ATOM 33 NE2 GLN A 3 6.625 -4.449 -1.745 1.00 2.85 N ATOM 34 H GLN A 3 3.970 -2.118 1.289 1.00 0.62 H ATOM 35 HA GLN A 3 3.330 -2.932 -1.461 1.00 0.47 H ATOM 36 HB2 GLN A 3 3.166 -4.535 1.096 1.00 1.26 H ATOM 37 HB3 GLN A 3 2.800 -5.136 -0.516 1.00 1.21 H ATOM 38 HG2 GLN A 3 5.476 -4.200 0.484 1.00 2.06 H ATOM 39 HG3 GLN A 3 4.983 -5.865 0.184 1.00 2.10 H ATOM 40 HE21 GLN A 3 7.189 -4.345 -0.945 1.00 3.08 H ATOM 41 HE22 GLN A 3 6.964 -4.362 -2.659 1.00 3.46 H ATOM 42 N PRO A 4 0.898 -2.440 -1.298 1.00 0.26 N ATOM 43 CA PRO A 4 -0.533 -2.092 -1.281 1.00 0.29 C ATOM 44 C PRO A 4 -1.373 -3.056 -0.438 1.00 0.28 C ATOM 45 O PRO A 4 -1.449 -4.248 -0.731 1.00 0.40 O ATOM 46 CB PRO A 4 -0.913 -2.202 -2.755 1.00 0.42 C ATOM 47 CG PRO A 4 0.327 -1.849 -3.476 1.00 0.47 C ATOM 48 CD PRO A 4 1.433 -2.461 -2.670 1.00 0.38 C ATOM 49 HA PRO A 4 -0.689 -1.077 -0.939 1.00 0.33 H ATOM 50 HB2 PRO A 4 -1.211 -3.207 -2.978 1.00 0.43 H ATOM 51 HB3 PRO A 4 -1.713 -1.514 -2.984 1.00 0.51 H ATOM 52 HG2 PRO A 4 0.310 -2.264 -4.473 1.00 0.57 H ATOM 53 HG3 PRO A 4 0.434 -0.783 -3.511 1.00 0.51 H ATOM 54 HD2 PRO A 4 1.614 -3.475 -2.991 1.00 0.45 H ATOM 55 HD3 PRO A 4 2.332 -1.869 -2.745 1.00 0.43 H ATOM 56 N CYS A 5 -2.002 -2.527 0.605 1.00 0.29 N ATOM 57 CA CYS A 5 -2.753 -3.351 1.544 1.00 0.34 C ATOM 58 C CYS A 5 -4.265 -3.221 1.373 1.00 0.44 C ATOM 59 O CYS A 5 -4.996 -3.079 2.354 1.00 1.18 O ATOM 60 CB CYS A 5 -2.353 -3.022 2.981 1.00 0.40 C ATOM 61 SG CYS A 5 -2.301 -1.238 3.408 1.00 0.51 S ATOM 62 H CYS A 5 -1.952 -1.565 0.752 1.00 0.38 H ATOM 63 HA CYS A 5 -2.488 -4.377 1.358 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.058 -3.494 3.637 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.371 -3.431 3.173 1.00 0.49 H ATOM 66 N GLY A 6 -4.741 -3.246 0.132 1.00 0.43 N ATOM 67 CA GLY A 6 -6.176 -3.292 -0.088 1.00 0.42 C ATOM 68 C GLY A 6 -6.771 -1.977 -0.548 1.00 0.31 C ATOM 69 O GLY A 6 -7.990 -1.849 -0.662 1.00 0.49 O ATOM 70 H GLY A 6 -4.122 -3.245 -0.632 1.00 1.00 H ATOM 71 HA2 GLY A 6 -6.395 -4.048 -0.825 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.643 -3.569 0.843 1.00 0.48 H ATOM 73 N HIS A 7 -5.926 -0.995 -0.806 1.00 0.28 N ATOM 74 CA HIS A 7 -6.397 0.316 -1.226 1.00 0.32 C ATOM 75 C HIS A 7 -5.502 0.857 -2.333 1.00 0.31 C ATOM 76 O HIS A 7 -5.910 0.928 -3.489 1.00 0.55 O ATOM 77 CB HIS A 7 -6.434 1.287 -0.037 1.00 0.47 C ATOM 78 CG HIS A 7 -7.366 0.854 1.056 1.00 1.15 C ATOM 79 ND1 HIS A 7 -6.972 0.067 2.117 1.00 1.86 N ATOM 80 CD2 HIS A 7 -8.687 1.088 1.237 1.00 2.02 C ATOM 81 CE1 HIS A 7 -8.009 -0.167 2.900 1.00 2.52 C ATOM 82 NE2 HIS A 7 -9.061 0.443 2.391 1.00 2.62 N ATOM 83 H HIS A 7 -4.962 -1.164 -0.741 1.00 0.44 H ATOM 84 HA HIS A 7 -7.397 0.199 -1.616 1.00 0.39 H ATOM 85 HB2 HIS A 7 -5.442 1.362 0.384 1.00 0.82 H ATOM 86 HB3 HIS A 7 -6.750 2.260 -0.382 1.00 0.98 H ATOM 87 HD1 HIS A 7 -6.067 -0.277 2.275 1.00 2.24 H ATOM 88 HD2 HIS A 7 -9.329 1.676 0.595 1.00 2.53 H ATOM 89 HE1 HIS A 7 -7.998 -0.750 3.805 1.00 3.21 H ATOM 90 HE2 HIS A 7 -9.923 0.558 2.858 1.00 3.33 H ATOM 91 N ASN A 8 -4.279 1.207 -1.972 1.00 0.24 N ATOM 92 CA ASN A 8 -3.283 1.652 -2.940 1.00 0.30 C ATOM 93 C ASN A 8 -1.908 1.597 -2.296 1.00 0.29 C ATOM 94 O ASN A 8 -0.978 0.997 -2.824 1.00 0.41 O ATOM 95 CB ASN A 8 -3.580 3.080 -3.413 1.00 0.37 C ATOM 96 CG ASN A 8 -2.622 3.544 -4.492 1.00 0.95 C ATOM 97 OD1 ASN A 8 -2.165 2.754 -5.316 1.00 1.54 O ATOM 98 ND2 ASN A 8 -2.310 4.828 -4.490 1.00 1.71 N ATOM 99 H ASN A 8 -4.034 1.175 -1.024 1.00 0.37 H ATOM 100 HA ASN A 8 -3.309 0.981 -3.784 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.584 3.122 -3.806 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.498 3.757 -2.573 1.00 0.73 H ATOM 103 HD21 ASN A 8 -2.711 5.400 -3.797 1.00 2.11 H ATOM 104 HD22 ASN A 8 -1.687 5.157 -5.174 1.00 2.15 H ATOM 105 N VAL A 9 -1.812 2.210 -1.128 1.00 0.20 N ATOM 106 CA VAL A 9 -0.589 2.218 -0.343 1.00 0.26 C ATOM 107 C VAL A 9 -0.960 2.595 1.088 1.00 0.23 C ATOM 108 O VAL A 9 -0.377 3.475 1.719 1.00 0.34 O ATOM 109 CB VAL A 9 0.472 3.174 -0.950 1.00 0.37 C ATOM 110 CG1 VAL A 9 -0.024 4.618 -0.995 1.00 0.65 C ATOM 111 CG2 VAL A 9 1.803 3.067 -0.208 1.00 0.73 C ATOM 112 H VAL A 9 -2.603 2.686 -0.773 1.00 0.19 H ATOM 113 HA VAL A 9 -0.189 1.212 -0.348 1.00 0.30 H ATOM 114 HB VAL A 9 0.640 2.859 -1.968 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.756 5.253 -1.385 1.00 1.16 H ATOM 116 HG12 VAL A 9 -0.288 4.941 0.001 1.00 1.30 H ATOM 117 HG13 VAL A 9 -0.895 4.680 -1.633 1.00 1.09 H ATOM 118 HG21 VAL A 9 2.167 2.052 -0.267 1.00 1.17 H ATOM 119 HG22 VAL A 9 1.662 3.339 0.826 1.00 1.33 H ATOM 120 HG23 VAL A 9 2.522 3.734 -0.660 1.00 1.40 H ATOM 121 N CYS A 10 -1.970 1.894 1.585 1.00 0.18 N ATOM 122 CA CYS A 10 -2.607 2.211 2.855 1.00 0.28 C ATOM 123 C CYS A 10 -1.699 1.971 4.054 1.00 0.38 C ATOM 124 O CYS A 10 -1.971 2.436 5.160 1.00 0.60 O ATOM 125 CB CYS A 10 -3.860 1.366 2.958 1.00 0.33 C ATOM 126 SG CYS A 10 -3.686 -0.309 2.243 1.00 0.44 S ATOM 127 H CYS A 10 -2.311 1.121 1.075 1.00 0.18 H ATOM 128 HA CYS A 10 -2.893 3.250 2.836 1.00 0.41 H ATOM 129 HB2 CYS A 10 -4.145 1.264 3.993 1.00 0.48 H ATOM 130 HB3 CYS A 10 -4.636 1.863 2.419 1.00 0.35 H ATOM 131 N CYS A 11 -0.640 1.239 3.816 1.00 0.44 N ATOM 132 CA CYS A 11 0.332 0.921 4.850 1.00 0.64 C ATOM 133 C CYS A 11 1.102 2.166 5.294 1.00 1.15 C ATOM 134 O CYS A 11 0.841 2.653 6.413 1.00 1.79 O ATOM 135 CB CYS A 11 1.282 -0.163 4.348 1.00 0.65 C ATOM 136 SG CYS A 11 1.897 0.117 2.654 1.00 0.87 S ATOM 137 OXT CYS A 11 1.956 2.660 4.526 1.00 1.79 O ATOM 138 H CYS A 11 -0.506 0.897 2.913 1.00 0.49 H ATOM 139 HA CYS A 11 -0.212 0.535 5.700 1.00 1.05 H ATOM 140 HB2 CYS A 11 2.141 -0.212 5.005 1.00 0.85 H ATOM 141 HB3 CYS A 11 0.769 -1.114 4.359 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 14 ATOM 1 N ASP A 1 9.401 1.135 -1.368 1.00 1.83 N ATOM 2 CA ASP A 1 8.604 2.117 -0.599 1.00 1.46 C ATOM 3 C ASP A 1 7.743 1.400 0.431 1.00 1.18 C ATOM 4 O ASP A 1 7.991 1.482 1.635 1.00 1.61 O ATOM 5 CB ASP A 1 7.709 2.934 -1.534 1.00 2.14 C ATOM 6 CG ASP A 1 6.977 4.046 -0.812 1.00 2.80 C ATOM 7 OD1 ASP A 1 6.003 3.756 -0.090 1.00 3.29 O ATOM 8 OD2 ASP A 1 7.367 5.220 -0.973 1.00 3.39 O ATOM 9 H1 ASP A 1 9.977 1.619 -2.083 1.00 2.20 H ATOM 10 H2 ASP A 1 8.768 0.452 -1.846 1.00 2.13 H ATOM 11 H3 ASP A 1 10.033 0.608 -0.727 1.00 2.38 H ATOM 12 HA ASP A 1 9.285 2.782 -0.085 1.00 1.80 H ATOM 13 HB2 ASP A 1 8.318 3.376 -2.308 1.00 2.50 H ATOM 14 HB3 ASP A 1 6.979 2.280 -1.983 1.00 2.65 H ATOM 15 N CYS A 2 6.736 0.688 -0.057 1.00 0.68 N ATOM 16 CA CYS A 2 5.827 -0.060 0.792 1.00 0.44 C ATOM 17 C CYS A 2 4.984 -0.977 -0.085 1.00 0.33 C ATOM 18 O CYS A 2 4.939 -0.800 -1.302 1.00 0.57 O ATOM 19 CB CYS A 2 4.930 0.887 1.599 1.00 0.46 C ATOM 20 SG CYS A 2 3.958 0.061 2.902 1.00 0.79 S ATOM 21 H CYS A 2 6.599 0.656 -1.029 1.00 0.80 H ATOM 22 HA CYS A 2 6.416 -0.660 1.468 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.544 1.635 2.076 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.236 1.371 0.928 1.00 0.43 H ATOM 25 N GLN A 3 4.319 -1.945 0.523 1.00 0.38 N ATOM 26 CA GLN A 3 3.553 -2.930 -0.225 1.00 0.40 C ATOM 27 C GLN A 3 2.056 -2.656 -0.128 1.00 0.29 C ATOM 28 O GLN A 3 1.548 -2.244 0.919 1.00 0.39 O ATOM 29 CB GLN A 3 3.885 -4.341 0.269 1.00 0.65 C ATOM 30 CG GLN A 3 3.582 -4.578 1.737 1.00 1.47 C ATOM 31 CD GLN A 3 4.195 -5.868 2.238 1.00 2.09 C ATOM 32 OE1 GLN A 3 5.326 -5.880 2.719 1.00 2.58 O ATOM 33 NE2 GLN A 3 3.463 -6.960 2.122 1.00 2.85 N ATOM 34 H GLN A 3 4.324 -1.988 1.505 1.00 0.62 H ATOM 35 HA GLN A 3 3.842 -2.854 -1.265 1.00 0.47 H ATOM 36 HB2 GLN A 3 3.313 -5.052 -0.307 1.00 1.26 H ATOM 37 HB3 GLN A 3 4.937 -4.527 0.108 1.00 1.21 H ATOM 38 HG2 GLN A 3 3.977 -3.756 2.315 1.00 2.06 H ATOM 39 HG3 GLN A 3 2.511 -4.630 1.867 1.00 2.10 H ATOM 40 HE21 GLN A 3 2.566 -6.882 1.728 1.00 3.08 H ATOM 41 HE22 GLN A 3 3.854 -7.815 2.422 1.00 3.46 H ATOM 42 N PRO A 4 1.353 -2.857 -1.255 1.00 0.26 N ATOM 43 CA PRO A 4 -0.099 -2.685 -1.363 1.00 0.29 C ATOM 44 C PRO A 4 -0.865 -3.368 -0.235 1.00 0.28 C ATOM 45 O PRO A 4 -0.601 -4.522 0.106 1.00 0.40 O ATOM 46 CB PRO A 4 -0.410 -3.349 -2.703 1.00 0.42 C ATOM 47 CG PRO A 4 0.807 -3.130 -3.509 1.00 0.47 C ATOM 48 CD PRO A 4 1.945 -3.265 -2.541 1.00 0.38 C ATOM 49 HA PRO A 4 -0.372 -1.639 -1.404 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.584 -4.397 -2.552 1.00 0.43 H ATOM 51 HB3 PRO A 4 -1.278 -2.889 -3.155 1.00 0.51 H ATOM 52 HG2 PRO A 4 0.876 -3.876 -4.287 1.00 0.57 H ATOM 53 HG3 PRO A 4 0.789 -2.145 -3.929 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.279 -4.286 -2.495 1.00 0.45 H ATOM 55 HD3 PRO A 4 2.758 -2.611 -2.816 1.00 0.43 H ATOM 56 N CYS A 5 -1.823 -2.647 0.323 1.00 0.29 N ATOM 57 CA CYS A 5 -2.597 -3.127 1.459 1.00 0.34 C ATOM 58 C CYS A 5 -4.012 -3.501 1.044 1.00 0.44 C ATOM 59 O CYS A 5 -4.680 -4.292 1.710 1.00 1.18 O ATOM 60 CB CYS A 5 -2.657 -2.040 2.514 1.00 0.40 C ATOM 61 SG CYS A 5 -3.349 -0.471 1.890 1.00 0.51 S ATOM 62 H CYS A 5 -2.012 -1.759 -0.037 1.00 0.38 H ATOM 63 HA CYS A 5 -2.108 -3.985 1.876 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.272 -2.379 3.331 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.659 -1.844 2.874 1.00 0.49 H ATOM 66 N GLY A 6 -4.463 -2.943 -0.064 1.00 0.43 N ATOM 67 CA GLY A 6 -5.838 -3.120 -0.472 1.00 0.42 C ATOM 68 C GLY A 6 -6.396 -1.860 -1.090 1.00 0.31 C ATOM 69 O GLY A 6 -7.036 -1.905 -2.142 1.00 0.49 O ATOM 70 H GLY A 6 -3.850 -2.420 -0.630 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.896 -3.926 -1.188 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.429 -3.373 0.397 1.00 0.48 H ATOM 73 N HIS A 7 -6.156 -0.731 -0.428 1.00 0.28 N ATOM 74 CA HIS A 7 -6.578 0.563 -0.947 1.00 0.32 C ATOM 75 C HIS A 7 -5.682 0.935 -2.120 1.00 0.31 C ATOM 76 O HIS A 7 -6.147 1.145 -3.238 1.00 0.55 O ATOM 77 CB HIS A 7 -6.501 1.631 0.151 1.00 0.47 C ATOM 78 CG HIS A 7 -7.145 2.938 -0.209 1.00 1.15 C ATOM 79 ND1 HIS A 7 -8.352 3.342 0.312 1.00 1.86 N ATOM 80 CD2 HIS A 7 -6.739 3.942 -1.024 1.00 2.02 C ATOM 81 CE1 HIS A 7 -8.662 4.532 -0.162 1.00 2.52 C ATOM 82 NE2 HIS A 7 -7.698 4.919 -0.973 1.00 2.62 N ATOM 83 H HIS A 7 -5.686 -0.775 0.437 1.00 0.44 H ATOM 84 HA HIS A 7 -7.597 0.472 -1.293 1.00 0.39 H ATOM 85 HB2 HIS A 7 -6.993 1.261 1.037 1.00 0.82 H ATOM 86 HB3 HIS A 7 -5.463 1.828 0.381 1.00 0.98 H ATOM 87 HD1 HIS A 7 -8.907 2.820 0.946 1.00 2.24 H ATOM 88 HD2 HIS A 7 -5.823 3.969 -1.600 1.00 2.53 H ATOM 89 HE1 HIS A 7 -9.551 5.096 0.078 1.00 3.21 H ATOM 90 HE2 HIS A 7 -7.725 5.723 -1.547 1.00 3.33 H ATOM 91 N ASN A 8 -4.390 1.003 -1.839 1.00 0.24 N ATOM 92 CA ASN A 8 -3.367 1.202 -2.858 1.00 0.30 C ATOM 93 C ASN A 8 -2.001 0.958 -2.238 1.00 0.29 C ATOM 94 O ASN A 8 -1.260 0.067 -2.652 1.00 0.41 O ATOM 95 CB ASN A 8 -3.428 2.612 -3.454 1.00 0.37 C ATOM 96 CG ASN A 8 -2.404 2.816 -4.552 1.00 0.95 C ATOM 97 OD1 ASN A 8 -2.036 1.877 -5.256 1.00 1.54 O ATOM 98 ND2 ASN A 8 -1.933 4.041 -4.706 1.00 1.71 N ATOM 99 H ASN A 8 -4.109 0.914 -0.906 1.00 0.37 H ATOM 100 HA ASN A 8 -3.529 0.475 -3.642 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.412 2.777 -3.873 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.248 3.338 -2.675 1.00 0.73 H ATOM 103 HD21 ASN A 8 -2.273 4.750 -4.109 1.00 2.11 H ATOM 104 HD22 ASN A 8 -1.268 4.197 -5.413 1.00 2.15 H ATOM 105 N VAL A 9 -1.694 1.735 -1.211 1.00 0.20 N ATOM 106 CA VAL A 9 -0.440 1.601 -0.490 1.00 0.26 C ATOM 107 C VAL A 9 -0.574 2.258 0.893 1.00 0.23 C ATOM 108 O VAL A 9 0.227 3.101 1.304 1.00 0.34 O ATOM 109 CB VAL A 9 0.740 2.198 -1.308 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.542 3.686 -1.573 1.00 0.65 C ATOM 111 CG2 VAL A 9 2.076 1.930 -0.630 1.00 0.73 C ATOM 112 H VAL A 9 -2.334 2.430 -0.927 1.00 0.19 H ATOM 113 HA VAL A 9 -0.258 0.543 -0.356 1.00 0.30 H ATOM 114 HB VAL A 9 0.753 1.699 -2.265 1.00 0.64 H ATOM 115 HG11 VAL A 9 1.373 4.060 -2.152 1.00 1.16 H ATOM 116 HG12 VAL A 9 0.492 4.212 -0.633 1.00 1.30 H ATOM 117 HG13 VAL A 9 -0.377 3.835 -2.120 1.00 1.09 H ATOM 118 HG21 VAL A 9 2.874 2.356 -1.219 1.00 1.17 H ATOM 119 HG22 VAL A 9 2.225 0.864 -0.541 1.00 1.33 H ATOM 120 HG23 VAL A 9 2.077 2.375 0.354 1.00 1.40 H ATOM 121 N CYS A 10 -1.619 1.867 1.612 1.00 0.18 N ATOM 122 CA CYS A 10 -1.889 2.423 2.932 1.00 0.28 C ATOM 123 C CYS A 10 -1.008 1.758 3.983 1.00 0.38 C ATOM 124 O CYS A 10 -0.841 2.279 5.084 1.00 0.60 O ATOM 125 CB CYS A 10 -3.366 2.249 3.288 1.00 0.33 C ATOM 126 SG CYS A 10 -3.889 0.524 3.572 1.00 0.44 S ATOM 127 H CYS A 10 -2.229 1.184 1.250 1.00 0.18 H ATOM 128 HA CYS A 10 -1.656 3.480 2.900 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.580 2.807 4.189 1.00 0.48 H ATOM 130 HB3 CYS A 10 -3.961 2.641 2.482 1.00 0.35 H ATOM 131 N CYS A 11 -0.456 0.605 3.618 1.00 0.44 N ATOM 132 CA CYS A 11 0.455 -0.148 4.476 1.00 0.64 C ATOM 133 C CYS A 11 -0.253 -0.615 5.750 1.00 1.15 C ATOM 134 O CYS A 11 -1.162 -1.468 5.647 1.00 1.79 O ATOM 135 CB CYS A 11 1.687 0.699 4.826 1.00 0.65 C ATOM 136 SG CYS A 11 2.530 1.421 3.378 1.00 0.87 S ATOM 137 OXT CYS A 11 0.078 -0.116 6.847 1.00 1.79 O ATOM 138 H CYS A 11 -0.679 0.244 2.740 1.00 0.49 H ATOM 139 HA CYS A 11 0.777 -1.020 3.926 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.385 1.514 5.468 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.401 0.080 5.348 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 15 ATOM 1 N ASP A 1 9.089 3.317 -1.006 1.00 1.83 N ATOM 2 CA ASP A 1 8.035 2.387 -1.478 1.00 1.46 C ATOM 3 C ASP A 1 7.499 1.573 -0.316 1.00 1.18 C ATOM 4 O ASP A 1 8.072 1.585 0.772 1.00 1.61 O ATOM 5 CB ASP A 1 8.579 1.454 -2.561 1.00 2.14 C ATOM 6 CG ASP A 1 8.851 2.181 -3.858 1.00 2.80 C ATOM 7 OD1 ASP A 1 7.884 2.657 -4.484 1.00 3.39 O ATOM 8 OD2 ASP A 1 10.031 2.293 -4.253 1.00 3.29 O ATOM 9 H1 ASP A 1 9.911 2.779 -0.656 1.00 2.20 H ATOM 10 H2 ASP A 1 8.720 3.906 -0.227 1.00 2.13 H ATOM 11 H3 ASP A 1 9.397 3.936 -1.782 1.00 2.38 H ATOM 12 HA ASP A 1 7.227 2.973 -1.890 1.00 1.80 H ATOM 13 HB2 ASP A 1 9.499 1.008 -2.216 1.00 2.50 H ATOM 14 HB3 ASP A 1 7.854 0.675 -2.751 1.00 2.65 H ATOM 15 N CYS A 2 6.408 0.864 -0.554 1.00 0.68 N ATOM 16 CA CYS A 2 5.748 0.115 0.502 1.00 0.44 C ATOM 17 C CYS A 2 4.852 -0.961 -0.111 1.00 0.33 C ATOM 18 O CYS A 2 4.799 -1.106 -1.333 1.00 0.57 O ATOM 19 CB CYS A 2 4.930 1.075 1.373 1.00 0.46 C ATOM 20 SG CYS A 2 4.289 0.348 2.915 1.00 0.79 S ATOM 21 H CYS A 2 6.033 0.839 -1.461 1.00 0.80 H ATOM 22 HA CYS A 2 6.508 -0.359 1.107 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.552 1.914 1.644 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.085 1.433 0.803 1.00 0.43 H ATOM 25 N GLN A 3 4.156 -1.710 0.737 1.00 0.38 N ATOM 26 CA GLN A 3 3.325 -2.818 0.287 1.00 0.40 C ATOM 27 C GLN A 3 1.886 -2.374 0.062 1.00 0.29 C ATOM 28 O GLN A 3 1.275 -1.753 0.934 1.00 0.39 O ATOM 29 CB GLN A 3 3.347 -3.954 1.318 1.00 0.65 C ATOM 30 CG GLN A 3 4.720 -4.558 1.543 1.00 1.47 C ATOM 31 CD GLN A 3 5.334 -5.101 0.270 1.00 2.09 C ATOM 32 OE1 GLN A 3 6.051 -4.395 -0.438 1.00 2.58 O ATOM 33 NE2 GLN A 3 5.061 -6.362 -0.036 1.00 2.85 N ATOM 34 H GLN A 3 4.190 -1.500 1.695 1.00 0.62 H ATOM 35 HA GLN A 3 3.730 -3.183 -0.645 1.00 0.47 H ATOM 36 HB2 GLN A 3 2.988 -3.572 2.262 1.00 1.26 H ATOM 37 HB3 GLN A 3 2.683 -4.737 0.983 1.00 1.21 H ATOM 38 HG2 GLN A 3 5.373 -3.792 1.939 1.00 2.06 H ATOM 39 HG3 GLN A 3 4.634 -5.361 2.260 1.00 2.10 H ATOM 40 HE21 GLN A 3 4.482 -6.879 0.575 1.00 3.08 H ATOM 41 HE22 GLN A 3 5.434 -6.732 -0.874 1.00 3.46 H ATOM 42 N PRO A 4 1.342 -2.663 -1.130 1.00 0.26 N ATOM 43 CA PRO A 4 -0.077 -2.459 -1.432 1.00 0.29 C ATOM 44 C PRO A 4 -0.972 -3.183 -0.430 1.00 0.28 C ATOM 45 O PRO A 4 -0.982 -4.414 -0.365 1.00 0.40 O ATOM 46 CB PRO A 4 -0.223 -3.061 -2.830 1.00 0.42 C ATOM 47 CG PRO A 4 1.122 -2.925 -3.423 1.00 0.47 C ATOM 48 CD PRO A 4 2.075 -3.189 -2.293 1.00 0.38 C ATOM 49 HA PRO A 4 -0.330 -1.409 -1.458 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.507 -4.094 -2.750 1.00 0.43 H ATOM 51 HB3 PRO A 4 -0.963 -2.514 -3.391 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.259 -3.647 -4.214 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.249 -1.928 -3.793 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.253 -4.248 -2.189 1.00 0.45 H ATOM 55 HD3 PRO A 4 3.001 -2.655 -2.442 1.00 0.43 H ATOM 56 N CYS A 5 -1.727 -2.413 0.328 1.00 0.29 N ATOM 57 CA CYS A 5 -2.482 -2.941 1.454 1.00 0.34 C ATOM 58 C CYS A 5 -3.879 -3.388 1.045 1.00 0.44 C ATOM 59 O CYS A 5 -4.482 -4.237 1.701 1.00 1.18 O ATOM 60 CB CYS A 5 -2.596 -1.872 2.524 1.00 0.40 C ATOM 61 SG CYS A 5 -3.316 -0.307 1.915 1.00 0.51 S ATOM 62 H CYS A 5 -1.776 -1.459 0.128 1.00 0.38 H ATOM 63 HA CYS A 5 -1.947 -3.777 1.863 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.219 -2.245 3.317 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.612 -1.659 2.911 1.00 0.49 H ATOM 66 N GLY A 6 -4.386 -2.829 -0.041 1.00 0.43 N ATOM 67 CA GLY A 6 -5.751 -3.092 -0.424 1.00 0.42 C ATOM 68 C GLY A 6 -6.416 -1.859 -0.983 1.00 0.31 C ATOM 69 O GLY A 6 -7.295 -1.945 -1.844 1.00 0.49 O ATOM 70 H GLY A 6 -3.823 -2.242 -0.599 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.770 -3.876 -1.166 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.296 -3.417 0.448 1.00 0.48 H ATOM 73 N HIS A 7 -6.009 -0.705 -0.478 1.00 0.28 N ATOM 74 CA HIS A 7 -6.498 0.561 -0.999 1.00 0.32 C ATOM 75 C HIS A 7 -5.645 0.978 -2.191 1.00 0.31 C ATOM 76 O HIS A 7 -6.022 0.760 -3.339 1.00 0.55 O ATOM 77 CB HIS A 7 -6.485 1.647 0.086 1.00 0.47 C ATOM 78 CG HIS A 7 -7.371 1.340 1.258 1.00 1.15 C ATOM 79 ND1 HIS A 7 -7.238 1.946 2.487 1.00 1.86 N ATOM 80 CD2 HIS A 7 -8.400 0.470 1.382 1.00 2.02 C ATOM 81 CE1 HIS A 7 -8.147 1.466 3.312 1.00 2.52 C ATOM 82 NE2 HIS A 7 -8.864 0.570 2.666 1.00 2.62 N ATOM 83 H HIS A 7 -5.370 -0.706 0.266 1.00 0.44 H ATOM 84 HA HIS A 7 -7.512 0.409 -1.336 1.00 0.39 H ATOM 85 HB2 HIS A 7 -5.478 1.763 0.456 1.00 0.82 H ATOM 86 HB3 HIS A 7 -6.817 2.582 -0.342 1.00 0.98 H ATOM 87 HD1 HIS A 7 -6.577 2.642 2.725 1.00 2.24 H ATOM 88 HD2 HIS A 7 -8.787 -0.181 0.610 1.00 2.53 H ATOM 89 HE1 HIS A 7 -8.281 1.760 4.342 1.00 3.21 H ATOM 90 HE2 HIS A 7 -9.515 -0.041 3.085 1.00 3.33 H ATOM 91 N ASN A 8 -4.486 1.551 -1.910 1.00 0.24 N ATOM 92 CA ASN A 8 -3.525 1.905 -2.949 1.00 0.30 C ATOM 93 C ASN A 8 -2.120 1.571 -2.471 1.00 0.29 C ATOM 94 O ASN A 8 -1.363 0.882 -3.152 1.00 0.41 O ATOM 95 CB ASN A 8 -3.628 3.397 -3.306 1.00 0.37 C ATOM 96 CG ASN A 8 -4.852 3.720 -4.149 1.00 0.95 C ATOM 97 OD1 ASN A 8 -5.271 2.922 -4.989 1.00 1.54 O ATOM 98 ND2 ASN A 8 -5.437 4.888 -3.927 1.00 1.71 N ATOM 99 H ASN A 8 -4.265 1.747 -0.976 1.00 0.37 H ATOM 100 HA ASN A 8 -3.749 1.312 -3.825 1.00 0.39 H ATOM 101 HB2 ASN A 8 -3.678 3.974 -2.395 1.00 0.79 H ATOM 102 HB3 ASN A 8 -2.746 3.684 -3.859 1.00 0.73 H ATOM 103 HD21 ASN A 8 -5.054 5.481 -3.239 1.00 2.11 H ATOM 104 HD22 ASN A 8 -6.237 5.114 -4.454 1.00 2.15 H ATOM 105 N VAL A 9 -1.795 2.062 -1.281 1.00 0.20 N ATOM 106 CA VAL A 9 -0.522 1.778 -0.631 1.00 0.26 C ATOM 107 C VAL A 9 -0.534 2.384 0.780 1.00 0.23 C ATOM 108 O VAL A 9 0.299 3.214 1.147 1.00 0.34 O ATOM 109 CB VAL A 9 0.680 2.289 -1.474 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.627 3.796 -1.693 1.00 0.65 C ATOM 111 CG2 VAL A 9 2.006 1.868 -0.852 1.00 0.73 C ATOM 112 H VAL A 9 -2.437 2.655 -0.823 1.00 0.19 H ATOM 113 HA VAL A 9 -0.437 0.703 -0.540 1.00 0.30 H ATOM 114 HB VAL A 9 0.611 1.821 -2.444 1.00 0.64 H ATOM 115 HG11 VAL A 9 -0.288 4.054 -2.204 1.00 1.16 H ATOM 116 HG12 VAL A 9 1.472 4.101 -2.290 1.00 1.30 H ATOM 117 HG13 VAL A 9 0.658 4.300 -0.739 1.00 1.09 H ATOM 118 HG21 VAL A 9 2.044 0.791 -0.788 1.00 1.17 H ATOM 119 HG22 VAL A 9 2.088 2.291 0.139 1.00 1.33 H ATOM 120 HG23 VAL A 9 2.822 2.224 -1.465 1.00 1.40 H ATOM 121 N CYS A 10 -1.519 1.975 1.565 1.00 0.18 N ATOM 122 CA CYS A 10 -1.706 2.523 2.900 1.00 0.28 C ATOM 123 C CYS A 10 -0.820 1.803 3.903 1.00 0.38 C ATOM 124 O CYS A 10 -0.523 2.336 4.973 1.00 0.60 O ATOM 125 CB CYS A 10 -3.174 2.416 3.314 1.00 0.33 C ATOM 126 SG CYS A 10 -3.767 0.713 3.610 1.00 0.44 S ATOM 127 H CYS A 10 -2.140 1.283 1.240 1.00 0.18 H ATOM 128 HA CYS A 10 -1.425 3.565 2.871 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.326 2.977 4.223 1.00 0.48 H ATOM 130 HB3 CYS A 10 -3.784 2.839 2.531 1.00 0.35 H ATOM 131 N CYS A 11 -0.401 0.597 3.527 1.00 0.44 N ATOM 132 CA CYS A 11 0.491 -0.228 4.341 1.00 0.64 C ATOM 133 C CYS A 11 -0.189 -0.643 5.645 1.00 1.15 C ATOM 134 O CYS A 11 -0.888 -1.680 5.644 1.00 1.79 O ATOM 135 CB CYS A 11 1.794 0.520 4.639 1.00 0.65 C ATOM 136 SG CYS A 11 2.532 1.321 3.179 1.00 0.87 S ATOM 137 OXT CYS A 11 -0.040 0.073 6.655 1.00 1.79 O ATOM 138 H CYS A 11 -0.705 0.246 2.667 1.00 0.49 H ATOM 139 HA CYS A 11 0.721 -1.118 3.775 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.601 1.287 5.374 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.518 -0.178 5.035 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 16 ATOM 1 N ASP A 1 8.081 1.251 -2.778 1.00 1.83 N ATOM 2 CA ASP A 1 8.790 1.558 -1.517 1.00 1.46 C ATOM 3 C ASP A 1 8.134 0.831 -0.354 1.00 1.18 C ATOM 4 O ASP A 1 8.803 0.167 0.437 1.00 1.61 O ATOM 5 CB ASP A 1 8.794 3.065 -1.259 1.00 2.14 C ATOM 6 CG ASP A 1 9.390 3.414 0.088 1.00 2.80 C ATOM 7 OD1 ASP A 1 10.601 3.190 0.286 1.00 3.29 O ATOM 8 OD2 ASP A 1 8.648 3.924 0.949 1.00 3.39 O ATOM 9 H1 ASP A 1 8.086 0.221 -2.946 1.00 2.20 H ATOM 10 H2 ASP A 1 8.547 1.726 -3.580 1.00 2.13 H ATOM 11 H3 ASP A 1 7.093 1.574 -2.723 1.00 2.38 H ATOM 12 HA ASP A 1 9.811 1.213 -1.610 1.00 1.80 H ATOM 13 HB2 ASP A 1 9.373 3.555 -2.027 1.00 2.50 H ATOM 14 HB3 ASP A 1 7.780 3.433 -1.289 1.00 2.65 H ATOM 15 N CYS A 2 6.821 0.952 -0.255 1.00 0.68 N ATOM 16 CA CYS A 2 6.064 0.239 0.754 1.00 0.44 C ATOM 17 C CYS A 2 5.139 -0.758 0.064 1.00 0.33 C ATOM 18 O CYS A 2 4.841 -0.616 -1.121 1.00 0.57 O ATOM 19 CB CYS A 2 5.264 1.227 1.608 1.00 0.46 C ATOM 20 SG CYS A 2 4.538 0.497 3.116 1.00 0.79 S ATOM 21 H CYS A 2 6.342 1.540 -0.885 1.00 0.80 H ATOM 22 HA CYS A 2 6.761 -0.296 1.381 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.913 2.035 1.914 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.455 1.628 1.016 1.00 0.43 H ATOM 25 N GLN A 3 4.703 -1.767 0.797 1.00 0.38 N ATOM 26 CA GLN A 3 3.880 -2.821 0.223 1.00 0.40 C ATOM 27 C GLN A 3 2.433 -2.368 0.073 1.00 0.29 C ATOM 28 O GLN A 3 1.815 -1.914 1.035 1.00 0.39 O ATOM 29 CB GLN A 3 3.942 -4.069 1.101 1.00 0.65 C ATOM 30 CG GLN A 3 3.287 -5.285 0.467 1.00 1.47 C ATOM 31 CD GLN A 3 3.343 -6.503 1.360 1.00 2.09 C ATOM 32 OE1 GLN A 3 4.306 -7.270 1.323 1.00 2.58 O ATOM 33 NE2 GLN A 3 2.313 -6.694 2.170 1.00 2.85 N ATOM 34 H GLN A 3 4.927 -1.802 1.749 1.00 0.62 H ATOM 35 HA GLN A 3 4.274 -3.057 -0.754 1.00 0.47 H ATOM 36 HB2 GLN A 3 4.977 -4.305 1.300 1.00 1.26 H ATOM 37 HB3 GLN A 3 3.443 -3.860 2.036 1.00 1.21 H ATOM 38 HG2 GLN A 3 2.254 -5.058 0.257 1.00 2.06 H ATOM 39 HG3 GLN A 3 3.798 -5.513 -0.456 1.00 2.10 H ATOM 40 HE21 GLN A 3 1.580 -6.041 2.150 1.00 3.08 H ATOM 41 HE22 GLN A 3 2.317 -7.490 2.750 1.00 3.46 H ATOM 42 N PRO A 4 1.893 -2.478 -1.151 1.00 0.26 N ATOM 43 CA PRO A 4 0.497 -2.142 -1.458 1.00 0.29 C ATOM 44 C PRO A 4 -0.496 -2.824 -0.526 1.00 0.28 C ATOM 45 O PRO A 4 -0.283 -3.957 -0.089 1.00 0.40 O ATOM 46 CB PRO A 4 0.334 -2.656 -2.891 1.00 0.42 C ATOM 47 CG PRO A 4 1.689 -2.552 -3.468 1.00 0.47 C ATOM 48 CD PRO A 4 2.617 -2.932 -2.352 1.00 0.38 C ATOM 49 HA PRO A 4 0.333 -1.074 -1.437 1.00 0.33 H ATOM 50 HB2 PRO A 4 0.003 -3.678 -2.873 1.00 0.43 H ATOM 51 HB3 PRO A 4 -0.375 -2.042 -3.425 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.792 -3.235 -4.299 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.872 -1.542 -3.781 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.764 -4.001 -2.330 1.00 0.45 H ATOM 55 HD3 PRO A 4 3.563 -2.419 -2.452 1.00 0.43 H ATOM 56 N CYS A 5 -1.586 -2.137 -0.234 1.00 0.29 N ATOM 57 CA CYS A 5 -2.577 -2.647 0.696 1.00 0.34 C ATOM 58 C CYS A 5 -3.940 -2.743 0.024 1.00 0.44 C ATOM 59 O CYS A 5 -4.033 -2.808 -1.204 1.00 1.18 O ATOM 60 CB CYS A 5 -2.670 -1.740 1.915 1.00 0.40 C ATOM 61 SG CYS A 5 -3.362 -0.091 1.553 1.00 0.51 S ATOM 62 H CYS A 5 -1.736 -1.275 -0.673 1.00 0.38 H ATOM 63 HA CYS A 5 -2.265 -3.624 1.018 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.301 -2.209 2.653 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.682 -1.607 2.328 1.00 0.49 H ATOM 66 N GLY A 6 -4.991 -2.740 0.841 1.00 0.43 N ATOM 67 CA GLY A 6 -6.350 -2.789 0.343 1.00 0.42 C ATOM 68 C GLY A 6 -6.671 -1.677 -0.633 1.00 0.31 C ATOM 69 O GLY A 6 -7.252 -1.924 -1.691 1.00 0.49 O ATOM 70 H GLY A 6 -4.840 -2.708 1.814 1.00 1.00 H ATOM 71 HA2 GLY A 6 -6.515 -3.739 -0.143 1.00 0.51 H ATOM 72 HA3 GLY A 6 -7.016 -2.707 1.185 1.00 0.48 H ATOM 73 N HIS A 7 -6.284 -0.454 -0.294 1.00 0.28 N ATOM 74 CA HIS A 7 -6.594 0.689 -1.141 1.00 0.32 C ATOM 75 C HIS A 7 -5.563 0.814 -2.253 1.00 0.31 C ATOM 76 O HIS A 7 -5.803 0.397 -3.385 1.00 0.55 O ATOM 77 CB HIS A 7 -6.647 1.984 -0.326 1.00 0.47 C ATOM 78 CG HIS A 7 -7.716 2.009 0.723 1.00 1.15 C ATOM 79 ND1 HIS A 7 -7.559 2.642 1.935 1.00 1.86 N ATOM 80 CD2 HIS A 7 -8.968 1.493 0.730 1.00 2.02 C ATOM 81 CE1 HIS A 7 -8.664 2.510 2.644 1.00 2.52 C ATOM 82 NE2 HIS A 7 -9.532 1.819 1.937 1.00 2.62 N ATOM 83 H HIS A 7 -5.768 -0.320 0.535 1.00 0.44 H ATOM 84 HA HIS A 7 -7.561 0.515 -1.586 1.00 0.39 H ATOM 85 HB2 HIS A 7 -5.699 2.126 0.165 1.00 0.82 H ATOM 86 HB3 HIS A 7 -6.822 2.812 -0.999 1.00 0.98 H ATOM 87 HD1 HIS A 7 -6.758 3.141 2.229 1.00 2.24 H ATOM 88 HD2 HIS A 7 -9.435 0.933 -0.067 1.00 2.53 H ATOM 89 HE1 HIS A 7 -8.826 2.901 3.636 1.00 3.21 H ATOM 90 HE2 HIS A 7 -10.395 1.480 2.281 1.00 3.33 H ATOM 91 N ASN A 8 -4.413 1.379 -1.921 1.00 0.24 N ATOM 92 CA ASN A 8 -3.330 1.524 -2.879 1.00 0.30 C ATOM 93 C ASN A 8 -2.016 1.123 -2.237 1.00 0.29 C ATOM 94 O ASN A 8 -1.411 0.121 -2.602 1.00 0.41 O ATOM 95 CB ASN A 8 -3.240 2.970 -3.384 1.00 0.37 C ATOM 96 CG ASN A 8 -4.443 3.387 -4.210 1.00 0.95 C ATOM 97 OD1 ASN A 8 -5.434 3.892 -3.679 1.00 1.54 O ATOM 98 ND2 ASN A 8 -4.358 3.190 -5.513 1.00 1.71 N ATOM 99 H ASN A 8 -4.290 1.715 -1.007 1.00 0.37 H ATOM 100 HA ASN A 8 -3.531 0.869 -3.715 1.00 0.39 H ATOM 101 HB2 ASN A 8 -3.168 3.633 -2.537 1.00 0.79 H ATOM 102 HB3 ASN A 8 -2.355 3.077 -3.996 1.00 0.73 H ATOM 103 HD21 ASN A 8 -3.525 2.794 -5.867 1.00 2.11 H ATOM 104 HD22 ASN A 8 -5.124 3.435 -6.074 1.00 2.15 H ATOM 105 N VAL A 9 -1.603 1.890 -1.241 1.00 0.20 N ATOM 106 CA VAL A 9 -0.344 1.649 -0.560 1.00 0.26 C ATOM 107 C VAL A 9 -0.386 2.291 0.828 1.00 0.23 C ATOM 108 O VAL A 9 0.507 3.032 1.241 1.00 0.34 O ATOM 109 CB VAL A 9 0.856 2.158 -1.401 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.785 3.662 -1.634 1.00 0.65 C ATOM 111 CG2 VAL A 9 2.187 1.750 -0.776 1.00 0.73 C ATOM 112 H VAL A 9 -2.171 2.642 -0.945 1.00 0.19 H ATOM 113 HA VAL A 9 -0.241 0.580 -0.445 1.00 0.30 H ATOM 114 HB VAL A 9 0.792 1.680 -2.368 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.774 4.176 -0.684 1.00 1.16 H ATOM 116 HG12 VAL A 9 -0.115 3.899 -2.182 1.00 1.30 H ATOM 117 HG13 VAL A 9 1.646 3.979 -2.203 1.00 1.09 H ATOM 118 HG21 VAL A 9 2.998 2.130 -1.378 1.00 1.17 H ATOM 119 HG22 VAL A 9 2.248 0.672 -0.733 1.00 1.33 H ATOM 120 HG23 VAL A 9 2.258 2.155 0.221 1.00 1.40 H ATOM 121 N CYS A 10 -1.465 2.008 1.542 1.00 0.18 N ATOM 122 CA CYS A 10 -1.653 2.537 2.881 1.00 0.28 C ATOM 123 C CYS A 10 -0.772 1.789 3.873 1.00 0.38 C ATOM 124 O CYS A 10 -0.379 2.333 4.909 1.00 0.60 O ATOM 125 CB CYS A 10 -3.121 2.420 3.278 1.00 0.33 C ATOM 126 SG CYS A 10 -3.735 0.704 3.384 1.00 0.44 S ATOM 127 H CYS A 10 -2.165 1.420 1.157 1.00 0.18 H ATOM 128 HA CYS A 10 -1.369 3.578 2.874 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.267 2.882 4.242 1.00 0.48 H ATOM 130 HB3 CYS A 10 -3.720 2.933 2.538 1.00 0.35 H ATOM 131 N CYS A 11 -0.463 0.543 3.526 1.00 0.44 N ATOM 132 CA CYS A 11 0.385 -0.321 4.339 1.00 0.64 C ATOM 133 C CYS A 11 -0.221 -0.517 5.728 1.00 1.15 C ATOM 134 O CYS A 11 -1.226 -1.254 5.837 1.00 1.79 O ATOM 135 CB CYS A 11 1.800 0.262 4.433 1.00 0.65 C ATOM 136 SG CYS A 11 2.540 0.659 2.812 1.00 0.87 S ATOM 137 OXT CYS A 11 0.285 0.083 6.699 1.00 1.79 O ATOM 138 H CYS A 11 -0.820 0.193 2.690 1.00 0.49 H ATOM 139 HA CYS A 11 0.437 -1.284 3.848 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.771 1.172 5.011 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.448 -0.451 4.923 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 17 ATOM 1 N ASP A 1 9.320 1.767 -0.927 1.00 1.83 N ATOM 2 CA ASP A 1 8.390 0.694 -1.352 1.00 1.46 C ATOM 3 C ASP A 1 7.513 0.243 -0.195 1.00 1.18 C ATOM 4 O ASP A 1 8.001 -0.327 0.780 1.00 1.61 O ATOM 5 CB ASP A 1 9.163 -0.509 -1.900 1.00 2.14 C ATOM 6 CG ASP A 1 9.341 -0.455 -3.400 1.00 2.80 C ATOM 7 OD1 ASP A 1 10.185 0.334 -3.871 1.00 3.29 O ATOM 8 OD2 ASP A 1 8.651 -1.206 -4.116 1.00 3.39 O ATOM 9 H1 ASP A 1 9.905 1.436 -0.130 1.00 2.20 H ATOM 10 H2 ASP A 1 8.783 2.607 -0.624 1.00 2.13 H ATOM 11 H3 ASP A 1 9.946 2.039 -1.714 1.00 2.38 H ATOM 12 HA ASP A 1 7.752 1.088 -2.131 1.00 1.80 H ATOM 13 HB2 ASP A 1 10.141 -0.538 -1.443 1.00 2.50 H ATOM 14 HB3 ASP A 1 8.628 -1.415 -1.650 1.00 2.65 H ATOM 15 N CYS A 2 6.221 0.513 -0.299 1.00 0.68 N ATOM 16 CA CYS A 2 5.258 0.027 0.672 1.00 0.44 C ATOM 17 C CYS A 2 4.289 -0.924 -0.017 1.00 0.33 C ATOM 18 O CYS A 2 3.832 -0.659 -1.132 1.00 0.57 O ATOM 19 CB CYS A 2 4.504 1.188 1.326 1.00 0.46 C ATOM 20 SG CYS A 2 3.414 0.683 2.699 1.00 0.79 S ATOM 21 H CYS A 2 5.900 1.054 -1.057 1.00 0.80 H ATOM 22 HA CYS A 2 5.799 -0.519 1.434 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.221 1.894 1.718 1.00 0.67 H ATOM 24 HB3 CYS A 2 3.890 1.678 0.583 1.00 0.43 H ATOM 25 N GLN A 3 3.994 -2.034 0.639 1.00 0.38 N ATOM 26 CA GLN A 3 3.192 -3.089 0.047 1.00 0.40 C ATOM 27 C GLN A 3 1.739 -2.659 -0.105 1.00 0.29 C ATOM 28 O GLN A 3 1.111 -2.197 0.853 1.00 0.39 O ATOM 29 CB GLN A 3 3.278 -4.339 0.915 1.00 0.65 C ATOM 30 CG GLN A 3 4.708 -4.771 1.188 1.00 1.47 C ATOM 31 CD GLN A 3 4.801 -5.865 2.228 1.00 2.09 C ATOM 32 OE1 GLN A 3 4.789 -7.047 1.900 1.00 2.58 O ATOM 33 NE2 GLN A 3 4.887 -5.474 3.489 1.00 2.85 N ATOM 34 H GLN A 3 4.317 -2.144 1.560 1.00 0.62 H ATOM 35 HA GLN A 3 3.594 -3.312 -0.931 1.00 0.47 H ATOM 36 HB2 GLN A 3 2.795 -4.142 1.860 1.00 1.26 H ATOM 37 HB3 GLN A 3 2.767 -5.150 0.419 1.00 1.21 H ATOM 38 HG2 GLN A 3 5.139 -5.134 0.267 1.00 2.06 H ATOM 39 HG3 GLN A 3 5.268 -3.915 1.533 1.00 2.10 H ATOM 40 HE21 GLN A 3 4.883 -4.504 3.672 1.00 3.08 H ATOM 41 HE22 GLN A 3 4.960 -6.159 4.188 1.00 3.46 H ATOM 42 N PRO A 4 1.199 -2.775 -1.324 1.00 0.26 N ATOM 43 CA PRO A 4 -0.210 -2.501 -1.600 1.00 0.29 C ATOM 44 C PRO A 4 -1.120 -3.304 -0.676 1.00 0.28 C ATOM 45 O PRO A 4 -1.160 -4.533 -0.734 1.00 0.40 O ATOM 46 CB PRO A 4 -0.370 -2.951 -3.052 1.00 0.42 C ATOM 47 CG PRO A 4 0.978 -2.769 -3.631 1.00 0.47 C ATOM 48 CD PRO A 4 1.928 -3.165 -2.540 1.00 0.38 C ATOM 49 HA PRO A 4 -0.435 -1.444 -1.513 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.667 -3.981 -3.079 1.00 0.43 H ATOM 51 HB3 PRO A 4 -1.101 -2.335 -3.550 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.099 -3.406 -4.495 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.117 -1.740 -3.894 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.101 -4.230 -2.557 1.00 0.45 H ATOM 55 HD3 PRO A 4 2.858 -2.624 -2.625 1.00 0.43 H ATOM 56 N CYS A 5 -1.853 -2.600 0.162 1.00 0.29 N ATOM 57 CA CYS A 5 -2.631 -3.228 1.216 1.00 0.34 C ATOM 58 C CYS A 5 -4.041 -3.580 0.751 1.00 0.44 C ATOM 59 O CYS A 5 -4.649 -4.527 1.248 1.00 1.18 O ATOM 60 CB CYS A 5 -2.709 -2.276 2.394 1.00 0.40 C ATOM 61 SG CYS A 5 -3.248 -0.596 1.930 1.00 0.51 S ATOM 62 H CYS A 5 -1.855 -1.626 0.086 1.00 0.38 H ATOM 63 HA CYS A 5 -2.129 -4.122 1.532 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.407 -2.669 3.111 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.735 -2.200 2.848 1.00 0.49 H ATOM 66 N GLY A 6 -4.545 -2.824 -0.206 1.00 0.43 N ATOM 67 CA GLY A 6 -5.916 -2.990 -0.633 1.00 0.42 C ATOM 68 C GLY A 6 -6.513 -1.686 -1.103 1.00 0.31 C ATOM 69 O GLY A 6 -7.143 -1.633 -2.155 1.00 0.49 O ATOM 70 H GLY A 6 -3.979 -2.154 -0.636 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.950 -3.708 -1.439 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.498 -3.360 0.198 1.00 0.48 H ATOM 73 N HIS A 7 -6.311 -0.629 -0.320 1.00 0.28 N ATOM 74 CA HIS A 7 -6.747 0.702 -0.718 1.00 0.32 C ATOM 75 C HIS A 7 -5.912 1.142 -1.910 1.00 0.31 C ATOM 76 O HIS A 7 -6.438 1.514 -2.954 1.00 0.55 O ATOM 77 CB HIS A 7 -6.597 1.685 0.452 1.00 0.47 C ATOM 78 CG HIS A 7 -7.250 3.018 0.228 1.00 1.15 C ATOM 79 ND1 HIS A 7 -8.480 3.353 0.752 1.00 1.86 N ATOM 80 CD2 HIS A 7 -6.824 4.111 -0.445 1.00 2.02 C ATOM 81 CE1 HIS A 7 -8.783 4.588 0.407 1.00 2.52 C ATOM 82 NE2 HIS A 7 -7.794 5.072 -0.321 1.00 2.62 N ATOM 83 H HIS A 7 -5.865 -0.750 0.554 1.00 0.44 H ATOM 84 HA HIS A 7 -7.784 0.645 -1.013 1.00 0.39 H ATOM 85 HB2 HIS A 7 -7.035 1.249 1.337 1.00 0.82 H ATOM 86 HB3 HIS A 7 -5.545 1.858 0.629 1.00 0.98 H ATOM 87 HD1 HIS A 7 -9.055 2.766 1.305 1.00 2.24 H ATOM 88 HD2 HIS A 7 -5.892 4.206 -0.982 1.00 2.53 H ATOM 89 HE1 HIS A 7 -9.685 5.119 0.678 1.00 3.21 H ATOM 90 HE2 HIS A 7 -7.681 6.024 -0.555 1.00 3.33 H ATOM 91 N ASN A 8 -4.602 1.064 -1.730 1.00 0.24 N ATOM 92 CA ASN A 8 -3.633 1.286 -2.800 1.00 0.30 C ATOM 93 C ASN A 8 -2.245 1.093 -2.230 1.00 0.29 C ATOM 94 O ASN A 8 -1.480 0.242 -2.679 1.00 0.41 O ATOM 95 CB ASN A 8 -3.761 2.690 -3.409 1.00 0.37 C ATOM 96 CG ASN A 8 -2.855 2.880 -4.611 1.00 0.95 C ATOM 97 OD1 ASN A 8 -3.214 2.524 -5.733 1.00 1.54 O ATOM 98 ND2 ASN A 8 -1.690 3.464 -4.392 1.00 1.71 N ATOM 99 H ASN A 8 -4.265 0.838 -0.837 1.00 0.37 H ATOM 100 HA ASN A 8 -3.802 0.544 -3.567 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.782 2.850 -3.722 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.498 3.429 -2.663 1.00 0.73 H ATOM 103 HD21 ASN A 8 -1.477 3.749 -3.478 1.00 2.11 H ATOM 104 HD22 ASN A 8 -1.076 3.582 -5.154 1.00 2.15 H ATOM 105 N VAL A 9 -1.955 1.870 -1.201 1.00 0.20 N ATOM 106 CA VAL A 9 -0.693 1.787 -0.493 1.00 0.26 C ATOM 107 C VAL A 9 -0.862 2.477 0.868 1.00 0.23 C ATOM 108 O VAL A 9 -0.124 3.391 1.242 1.00 0.34 O ATOM 109 CB VAL A 9 0.462 2.408 -1.327 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.237 3.893 -1.601 1.00 0.65 C ATOM 111 CG2 VAL A 9 1.810 2.179 -0.658 1.00 0.73 C ATOM 112 H VAL A 9 -2.615 2.535 -0.904 1.00 0.19 H ATOM 113 HA VAL A 9 -0.473 0.736 -0.336 1.00 0.30 H ATOM 114 HB VAL A 9 0.478 1.900 -2.279 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.227 4.432 -0.665 1.00 1.16 H ATOM 116 HG12 VAL A 9 -0.708 4.028 -2.104 1.00 1.30 H ATOM 117 HG13 VAL A 9 1.035 4.269 -2.225 1.00 1.09 H ATOM 118 HG21 VAL A 9 1.818 2.662 0.309 1.00 1.17 H ATOM 119 HG22 VAL A 9 2.591 2.597 -1.273 1.00 1.33 H ATOM 120 HG23 VAL A 9 1.976 1.120 -0.532 1.00 1.40 H ATOM 121 N CYS A 10 -1.884 2.034 1.596 1.00 0.18 N ATOM 122 CA CYS A 10 -2.263 2.657 2.861 1.00 0.28 C ATOM 123 C CYS A 10 -1.200 2.437 3.934 1.00 0.38 C ATOM 124 O CYS A 10 -1.027 3.269 4.826 1.00 0.60 O ATOM 125 CB CYS A 10 -3.609 2.094 3.321 1.00 0.33 C ATOM 126 SG CYS A 10 -3.585 0.309 3.713 1.00 0.44 S ATOM 127 H CYS A 10 -2.406 1.258 1.276 1.00 0.18 H ATOM 128 HA CYS A 10 -2.369 3.719 2.690 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.932 2.621 4.207 1.00 0.48 H ATOM 130 HB3 CYS A 10 -4.332 2.244 2.533 1.00 0.35 H ATOM 131 N CYS A 11 -0.489 1.321 3.820 1.00 0.44 N ATOM 132 CA CYS A 11 0.554 0.950 4.774 1.00 0.64 C ATOM 133 C CYS A 11 -0.043 0.757 6.167 1.00 1.15 C ATOM 134 O CYS A 11 -0.784 -0.230 6.363 1.00 1.79 O ATOM 135 CB CYS A 11 1.666 2.011 4.807 1.00 0.65 C ATOM 136 SG CYS A 11 2.406 2.377 3.177 1.00 0.87 S ATOM 137 OXT CYS A 11 0.198 1.602 7.053 1.00 1.79 O ATOM 138 H CYS A 11 -0.675 0.723 3.073 1.00 0.49 H ATOM 139 HA CYS A 11 0.975 0.012 4.445 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.265 2.933 5.195 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.458 1.668 5.459 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 18 ATOM 1 N ASP A 1 9.483 1.570 -1.967 1.00 1.83 N ATOM 2 CA ASP A 1 8.542 0.437 -2.133 1.00 1.46 C ATOM 3 C ASP A 1 7.819 0.131 -0.832 1.00 1.18 C ATOM 4 O ASP A 1 8.395 -0.436 0.096 1.00 1.61 O ATOM 5 CB ASP A 1 9.277 -0.814 -2.618 1.00 2.14 C ATOM 6 CG ASP A 1 9.379 -0.881 -4.127 1.00 2.80 C ATOM 7 OD1 ASP A 1 10.290 -0.236 -4.690 1.00 3.29 O ATOM 8 OD2 ASP A 1 8.557 -1.578 -4.756 1.00 3.39 O ATOM 9 H1 ASP A 1 8.959 2.444 -1.767 1.00 2.20 H ATOM 10 H2 ASP A 1 10.041 1.704 -2.836 1.00 2.13 H ATOM 11 H3 ASP A 1 10.136 1.377 -1.174 1.00 2.38 H ATOM 12 HA ASP A 1 7.808 0.719 -2.873 1.00 1.80 H ATOM 13 HB2 ASP A 1 10.275 -0.814 -2.209 1.00 2.50 H ATOM 14 HB3 ASP A 1 8.750 -1.691 -2.272 1.00 2.65 H ATOM 15 N CYS A 2 6.560 0.519 -0.764 1.00 0.68 N ATOM 16 CA CYS A 2 5.733 0.208 0.386 1.00 0.44 C ATOM 17 C CYS A 2 4.655 -0.778 -0.035 1.00 0.33 C ATOM 18 O CYS A 2 4.041 -0.610 -1.091 1.00 0.57 O ATOM 19 CB CYS A 2 5.101 1.477 0.957 1.00 0.46 C ATOM 20 SG CYS A 2 4.496 1.291 2.666 1.00 0.79 S ATOM 21 H CYS A 2 6.171 1.029 -1.510 1.00 0.80 H ATOM 22 HA CYS A 2 6.360 -0.251 1.135 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.834 2.268 0.953 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.263 1.765 0.339 1.00 0.43 H ATOM 25 N GLN A 3 4.457 -1.814 0.775 1.00 0.38 N ATOM 26 CA GLN A 3 3.521 -2.886 0.454 1.00 0.40 C ATOM 27 C GLN A 3 2.101 -2.360 0.257 1.00 0.29 C ATOM 28 O GLN A 3 1.480 -1.851 1.192 1.00 0.39 O ATOM 29 CB GLN A 3 3.519 -3.944 1.559 1.00 0.65 C ATOM 30 CG GLN A 3 4.866 -4.615 1.778 1.00 1.47 C ATOM 31 CD GLN A 3 4.803 -5.702 2.830 1.00 2.09 C ATOM 32 OE1 GLN A 3 3.996 -5.639 3.762 1.00 2.58 O ATOM 33 NE2 GLN A 3 5.660 -6.698 2.697 1.00 2.85 N ATOM 34 H GLN A 3 4.958 -1.858 1.617 1.00 0.62 H ATOM 35 HA GLN A 3 3.847 -3.347 -0.468 1.00 0.47 H ATOM 36 HB2 GLN A 3 3.224 -3.474 2.486 1.00 1.26 H ATOM 37 HB3 GLN A 3 2.795 -4.708 1.309 1.00 1.21 H ATOM 38 HG2 GLN A 3 5.193 -5.059 0.847 1.00 2.06 H ATOM 39 HG3 GLN A 3 5.581 -3.871 2.092 1.00 2.10 H ATOM 40 HE21 GLN A 3 6.283 -6.673 1.933 1.00 3.08 H ATOM 41 HE22 GLN A 3 5.631 -7.427 3.352 1.00 3.46 H ATOM 42 N PRO A 4 1.579 -2.471 -0.973 1.00 0.26 N ATOM 43 CA PRO A 4 0.195 -2.116 -1.287 1.00 0.29 C ATOM 44 C PRO A 4 -0.781 -2.889 -0.412 1.00 0.28 C ATOM 45 O PRO A 4 -0.751 -4.120 -0.368 1.00 0.40 O ATOM 46 CB PRO A 4 0.051 -2.523 -2.753 1.00 0.42 C ATOM 47 CG PRO A 4 1.429 -2.445 -3.282 1.00 0.47 C ATOM 48 CD PRO A 4 2.298 -2.943 -2.165 1.00 0.38 C ATOM 49 HA PRO A 4 0.023 -1.056 -1.182 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.332 -3.524 -2.816 1.00 0.43 H ATOM 51 HB3 PRO A 4 -0.610 -1.839 -3.262 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.530 -3.070 -4.157 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.664 -1.425 -3.514 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.355 -4.021 -2.181 1.00 0.45 H ATOM 55 HD3 PRO A 4 3.285 -2.505 -2.222 1.00 0.43 H ATOM 56 N CYS A 5 -1.637 -2.168 0.289 1.00 0.29 N ATOM 57 CA CYS A 5 -2.530 -2.785 1.253 1.00 0.34 C ATOM 58 C CYS A 5 -3.848 -3.203 0.618 1.00 0.44 C ATOM 59 O CYS A 5 -4.314 -4.321 0.831 1.00 1.18 O ATOM 60 CB CYS A 5 -2.776 -1.836 2.417 1.00 0.40 C ATOM 61 SG CYS A 5 -3.365 -0.174 1.932 1.00 0.51 S ATOM 62 H CYS A 5 -1.658 -1.199 0.165 1.00 0.38 H ATOM 63 HA CYS A 5 -2.042 -3.666 1.637 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.514 -2.270 3.067 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.854 -1.711 2.964 1.00 0.49 H ATOM 66 N GLY A 6 -4.432 -2.324 -0.184 1.00 0.43 N ATOM 67 CA GLY A 6 -5.719 -2.627 -0.774 1.00 0.42 C ATOM 68 C GLY A 6 -6.461 -1.385 -1.224 1.00 0.31 C ATOM 69 O GLY A 6 -7.125 -1.397 -2.257 1.00 0.49 O ATOM 70 H GLY A 6 -3.990 -1.479 -0.383 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.569 -3.273 -1.626 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.318 -3.147 -0.044 1.00 0.48 H ATOM 73 N HIS A 7 -6.364 -0.309 -0.448 1.00 0.28 N ATOM 74 CA HIS A 7 -7.017 0.944 -0.827 1.00 0.32 C ATOM 75 C HIS A 7 -6.219 1.621 -1.932 1.00 0.31 C ATOM 76 O HIS A 7 -6.782 2.177 -2.872 1.00 0.55 O ATOM 77 CB HIS A 7 -7.171 1.878 0.379 1.00 0.47 C ATOM 78 CG HIS A 7 -8.172 1.403 1.393 1.00 1.15 C ATOM 79 ND1 HIS A 7 -9.399 2.000 1.574 1.00 1.86 N ATOM 80 CD2 HIS A 7 -8.117 0.384 2.284 1.00 2.02 C ATOM 81 CE1 HIS A 7 -10.057 1.366 2.528 1.00 2.52 C ATOM 82 NE2 HIS A 7 -9.300 0.382 2.976 1.00 2.62 N ATOM 83 H HIS A 7 -5.847 -0.359 0.388 1.00 0.44 H ATOM 84 HA HIS A 7 -7.997 0.700 -1.212 1.00 0.39 H ATOM 85 HB2 HIS A 7 -6.217 1.974 0.877 1.00 0.82 H ATOM 86 HB3 HIS A 7 -7.489 2.850 0.030 1.00 0.98 H ATOM 87 HD1 HIS A 7 -9.741 2.781 1.075 1.00 2.24 H ATOM 88 HD2 HIS A 7 -7.288 -0.296 2.429 1.00 2.53 H ATOM 89 HE1 HIS A 7 -11.044 1.612 2.881 1.00 3.21 H ATOM 90 HE2 HIS A 7 -9.623 -0.365 3.539 1.00 3.33 H ATOM 91 N ASN A 8 -4.901 1.559 -1.790 1.00 0.24 N ATOM 92 CA ASN A 8 -3.969 2.011 -2.816 1.00 0.30 C ATOM 93 C ASN A 8 -2.557 1.648 -2.378 1.00 0.29 C ATOM 94 O ASN A 8 -1.901 0.804 -2.984 1.00 0.41 O ATOM 95 CB ASN A 8 -4.084 3.530 -3.056 1.00 0.37 C ATOM 96 CG ASN A 8 -3.259 4.008 -4.245 1.00 0.95 C ATOM 97 OD1 ASN A 8 -2.193 3.472 -4.545 1.00 1.54 O ATOM 98 ND2 ASN A 8 -3.754 5.024 -4.936 1.00 1.71 N ATOM 99 H ASN A 8 -4.536 1.201 -0.955 1.00 0.37 H ATOM 100 HA ASN A 8 -4.201 1.485 -3.731 1.00 0.39 H ATOM 101 HB2 ASN A 8 -5.119 3.777 -3.242 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.749 4.053 -2.174 1.00 0.73 H ATOM 103 HD21 ASN A 8 -4.615 5.408 -4.650 1.00 2.11 H ATOM 104 HD22 ASN A 8 -3.246 5.351 -5.717 1.00 2.15 H ATOM 105 N VAL A 9 -2.122 2.259 -1.286 1.00 0.20 N ATOM 106 CA VAL A 9 -0.806 2.005 -0.726 1.00 0.26 C ATOM 107 C VAL A 9 -0.744 2.592 0.689 1.00 0.23 C ATOM 108 O VAL A 9 0.191 3.295 1.070 1.00 0.34 O ATOM 109 CB VAL A 9 0.315 2.569 -1.643 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.215 4.082 -1.784 1.00 0.65 C ATOM 111 CG2 VAL A 9 1.695 2.140 -1.158 1.00 0.73 C ATOM 112 H VAL A 9 -2.709 2.911 -0.840 1.00 0.19 H ATOM 113 HA VAL A 9 -0.680 0.934 -0.662 1.00 0.30 H ATOM 114 HB VAL A 9 0.170 2.145 -2.625 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.319 4.542 -0.813 1.00 1.16 H ATOM 116 HG12 VAL A 9 -0.747 4.337 -2.202 1.00 1.30 H ATOM 117 HG13 VAL A 9 0.999 4.436 -2.438 1.00 1.09 H ATOM 118 HG21 VAL A 9 1.756 1.063 -1.163 1.00 1.17 H ATOM 119 HG22 VAL A 9 1.853 2.503 -0.154 1.00 1.33 H ATOM 120 HG23 VAL A 9 2.451 2.549 -1.813 1.00 1.40 H ATOM 121 N CYS A 10 -1.779 2.296 1.469 1.00 0.18 N ATOM 122 CA CYS A 10 -1.911 2.853 2.808 1.00 0.28 C ATOM 123 C CYS A 10 -0.813 2.338 3.729 1.00 0.38 C ATOM 124 O CYS A 10 -0.267 3.097 4.527 1.00 0.60 O ATOM 125 CB CYS A 10 -3.291 2.536 3.390 1.00 0.33 C ATOM 126 SG CYS A 10 -3.607 0.765 3.716 1.00 0.44 S ATOM 127 H CYS A 10 -2.482 1.687 1.133 1.00 0.18 H ATOM 128 HA CYS A 10 -1.811 3.925 2.724 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.405 3.064 4.325 1.00 0.48 H ATOM 130 HB3 CYS A 10 -4.047 2.879 2.700 1.00 0.35 H ATOM 131 N CYS A 11 -0.485 1.053 3.587 1.00 0.44 N ATOM 132 CA CYS A 11 0.548 0.411 4.396 1.00 0.64 C ATOM 133 C CYS A 11 0.154 0.415 5.871 1.00 1.15 C ATOM 134 O CYS A 11 -0.555 -0.522 6.299 1.00 1.79 O ATOM 135 CB CYS A 11 1.901 1.107 4.205 1.00 0.65 C ATOM 136 SG CYS A 11 2.483 1.148 2.478 1.00 0.87 S ATOM 137 OXT CYS A 11 0.529 1.364 6.593 1.00 1.79 O ATOM 138 H CYS A 11 -0.959 0.520 2.920 1.00 0.49 H ATOM 139 HA CYS A 11 0.633 -0.613 4.066 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.825 2.126 4.551 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.647 0.589 4.789 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 19 ATOM 1 N ASP A 1 9.751 1.733 -0.063 1.00 1.83 N ATOM 2 CA ASP A 1 9.141 0.430 -0.396 1.00 1.46 C ATOM 3 C ASP A 1 7.919 0.190 0.473 1.00 1.18 C ATOM 4 O ASP A 1 7.985 -0.526 1.470 1.00 1.61 O ATOM 5 CB ASP A 1 10.141 -0.713 -0.182 1.00 2.14 C ATOM 6 CG ASP A 1 11.318 -0.653 -1.130 1.00 2.80 C ATOM 7 OD1 ASP A 1 12.332 -0.009 -0.790 1.00 3.29 O ATOM 8 OD2 ASP A 1 11.229 -1.243 -2.228 1.00 3.39 O ATOM 9 H1 ASP A 1 9.038 2.488 -0.141 1.00 2.20 H ATOM 10 H2 ASP A 1 10.537 1.946 -0.713 1.00 2.13 H ATOM 11 H3 ASP A 1 10.113 1.724 0.917 1.00 2.38 H ATOM 12 HA ASP A 1 8.842 0.447 -1.434 1.00 1.80 H ATOM 13 HB2 ASP A 1 10.518 -0.667 0.827 1.00 2.50 H ATOM 14 HB3 ASP A 1 9.633 -1.655 -0.326 1.00 2.65 H ATOM 15 N CYS A 2 6.809 0.802 0.102 1.00 0.68 N ATOM 16 CA CYS A 2 5.565 0.628 0.831 1.00 0.44 C ATOM 17 C CYS A 2 4.715 -0.421 0.121 1.00 0.33 C ATOM 18 O CYS A 2 4.398 -0.274 -1.062 1.00 0.57 O ATOM 19 CB CYS A 2 4.820 1.965 0.933 1.00 0.46 C ATOM 20 SG CYS A 2 3.824 2.165 2.452 1.00 0.79 S ATOM 21 H CYS A 2 6.822 1.381 -0.696 1.00 0.80 H ATOM 22 HA CYS A 2 5.804 0.277 1.825 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.539 2.769 0.905 1.00 0.67 H ATOM 24 HB3 CYS A 2 4.154 2.061 0.090 1.00 0.43 H ATOM 25 N GLN A 3 4.390 -1.496 0.828 1.00 0.38 N ATOM 26 CA GLN A 3 3.646 -2.607 0.250 1.00 0.40 C ATOM 27 C GLN A 3 2.180 -2.240 0.036 1.00 0.29 C ATOM 28 O GLN A 3 1.480 -1.848 0.972 1.00 0.39 O ATOM 29 CB GLN A 3 3.759 -3.835 1.156 1.00 0.65 C ATOM 30 CG GLN A 3 3.091 -5.082 0.597 1.00 1.47 C ATOM 31 CD GLN A 3 3.316 -6.311 1.461 1.00 2.09 C ATOM 32 OE1 GLN A 3 3.364 -7.433 0.960 1.00 2.58 O ATOM 33 NE2 GLN A 3 3.455 -6.113 2.763 1.00 2.85 N ATOM 34 H GLN A 3 4.655 -1.542 1.770 1.00 0.62 H ATOM 35 HA GLN A 3 4.087 -2.839 -0.707 1.00 0.47 H ATOM 36 HB2 GLN A 3 4.805 -4.055 1.313 1.00 1.26 H ATOM 37 HB3 GLN A 3 3.302 -3.605 2.108 1.00 1.21 H ATOM 38 HG2 GLN A 3 2.028 -4.903 0.526 1.00 2.06 H ATOM 39 HG3 GLN A 3 3.487 -5.275 -0.390 1.00 2.10 H ATOM 40 HE21 GLN A 3 3.410 -5.190 3.104 1.00 3.08 H ATOM 41 HE22 GLN A 3 3.598 -6.899 3.339 1.00 3.46 H ATOM 42 N PRO A 4 1.710 -2.353 -1.218 1.00 0.26 N ATOM 43 CA PRO A 4 0.314 -2.100 -1.583 1.00 0.29 C ATOM 44 C PRO A 4 -0.659 -2.881 -0.711 1.00 0.28 C ATOM 45 O PRO A 4 -0.524 -4.094 -0.537 1.00 0.40 O ATOM 46 CB PRO A 4 0.246 -2.582 -3.031 1.00 0.42 C ATOM 47 CG PRO A 4 1.617 -2.386 -3.538 1.00 0.47 C ATOM 48 CD PRO A 4 2.514 -2.738 -2.390 1.00 0.38 C ATOM 49 HA PRO A 4 0.076 -1.047 -1.538 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.029 -3.618 -3.056 1.00 0.43 H ATOM 51 HB3 PRO A 4 -0.471 -1.991 -3.584 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.801 -3.041 -4.377 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.754 -1.361 -3.821 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.722 -3.796 -2.383 1.00 0.45 H ATOM 55 HD3 PRO A 4 3.429 -2.167 -2.432 1.00 0.43 H ATOM 56 N CYS A 5 -1.632 -2.173 -0.160 1.00 0.29 N ATOM 57 CA CYS A 5 -2.585 -2.771 0.758 1.00 0.34 C ATOM 58 C CYS A 5 -3.910 -3.079 0.063 1.00 0.44 C ATOM 59 O CYS A 5 -4.024 -4.063 -0.668 1.00 1.18 O ATOM 60 CB CYS A 5 -2.800 -1.854 1.958 1.00 0.40 C ATOM 61 SG CYS A 5 -3.279 -0.142 1.524 1.00 0.51 S ATOM 62 H CYS A 5 -1.712 -1.226 -0.383 1.00 0.38 H ATOM 63 HA CYS A 5 -2.166 -3.695 1.111 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.578 -2.270 2.570 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.886 -1.809 2.531 1.00 0.49 H ATOM 66 N GLY A 6 -4.906 -2.235 0.284 1.00 0.43 N ATOM 67 CA GLY A 6 -6.198 -2.438 -0.330 1.00 0.42 C ATOM 68 C GLY A 6 -6.701 -1.195 -1.026 1.00 0.31 C ATOM 69 O GLY A 6 -7.242 -1.271 -2.124 1.00 0.49 O ATOM 70 H GLY A 6 -4.768 -1.475 0.889 1.00 1.00 H ATOM 71 HA2 GLY A 6 -6.126 -3.237 -1.049 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.906 -2.716 0.436 1.00 0.48 H ATOM 73 N HIS A 7 -6.516 -0.042 -0.389 1.00 0.28 N ATOM 74 CA HIS A 7 -7.011 1.215 -0.945 1.00 0.32 C ATOM 75 C HIS A 7 -6.157 1.638 -2.132 1.00 0.31 C ATOM 76 O HIS A 7 -6.674 2.041 -3.173 1.00 0.55 O ATOM 77 CB HIS A 7 -7.033 2.318 0.120 1.00 0.47 C ATOM 78 CG HIS A 7 -7.976 2.035 1.249 1.00 1.15 C ATOM 79 ND1 HIS A 7 -7.746 2.448 2.542 1.00 1.86 N ATOM 80 CD2 HIS A 7 -9.153 1.372 1.276 1.00 2.02 C ATOM 81 CE1 HIS A 7 -8.736 2.048 3.311 1.00 2.52 C ATOM 82 NE2 HIS A 7 -9.606 1.392 2.569 1.00 2.62 N ATOM 83 H HIS A 7 -6.040 -0.037 0.471 1.00 0.44 H ATOM 84 HA HIS A 7 -8.017 1.041 -1.293 1.00 0.39 H ATOM 85 HB2 HIS A 7 -6.044 2.428 0.536 1.00 0.82 H ATOM 86 HB3 HIS A 7 -7.335 3.249 -0.338 1.00 0.98 H ATOM 87 HD1 HIS A 7 -6.967 2.975 2.856 1.00 2.24 H ATOM 88 HD2 HIS A 7 -9.652 0.921 0.429 1.00 2.53 H ATOM 89 HE1 HIS A 7 -8.824 2.229 4.374 1.00 3.21 H ATOM 90 HE2 HIS A 7 -10.311 0.802 2.928 1.00 3.33 H ATOM 91 N ASN A 8 -4.852 1.528 -1.959 1.00 0.24 N ATOM 92 CA ASN A 8 -3.903 1.807 -3.028 1.00 0.30 C ATOM 93 C ASN A 8 -2.503 1.420 -2.579 1.00 0.29 C ATOM 94 O ASN A 8 -1.887 0.519 -3.142 1.00 0.41 O ATOM 95 CB ASN A 8 -3.939 3.287 -3.426 1.00 0.37 C ATOM 96 CG ASN A 8 -3.101 3.583 -4.656 1.00 0.95 C ATOM 97 OD1 ASN A 8 -1.909 3.885 -4.558 1.00 1.54 O ATOM 98 ND2 ASN A 8 -3.719 3.511 -5.824 1.00 1.71 N ATOM 99 H ASN A 8 -4.513 1.245 -1.089 1.00 0.37 H ATOM 100 HA ASN A 8 -4.176 1.206 -3.881 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.959 3.573 -3.635 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.563 3.883 -2.608 1.00 0.73 H ATOM 103 HD21 ASN A 8 -4.678 3.279 -5.829 1.00 2.11 H ATOM 104 HD22 ASN A 8 -3.201 3.697 -6.639 1.00 2.15 H ATOM 105 N VAL A 9 -2.026 2.084 -1.537 1.00 0.20 N ATOM 106 CA VAL A 9 -0.697 1.820 -1.000 1.00 0.26 C ATOM 107 C VAL A 9 -0.592 2.402 0.412 1.00 0.23 C ATOM 108 O VAL A 9 0.376 3.068 0.779 1.00 0.34 O ATOM 109 CB VAL A 9 0.407 2.379 -1.939 1.00 0.37 C ATOM 110 CG1 VAL A 9 0.328 3.894 -2.062 1.00 0.65 C ATOM 111 CG2 VAL A 9 1.799 1.933 -1.497 1.00 0.73 C ATOM 112 H VAL A 9 -2.583 2.783 -1.115 1.00 0.19 H ATOM 113 HA VAL A 9 -0.577 0.747 -0.940 1.00 0.30 H ATOM 114 HB VAL A 9 0.229 1.967 -2.920 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.452 4.342 -1.085 1.00 1.16 H ATOM 116 HG12 VAL A 9 -0.633 4.172 -2.466 1.00 1.30 H ATOM 117 HG13 VAL A 9 1.111 4.244 -2.718 1.00 1.09 H ATOM 118 HG21 VAL A 9 1.983 2.270 -0.488 1.00 1.17 H ATOM 119 HG22 VAL A 9 2.543 2.355 -2.159 1.00 1.33 H ATOM 120 HG23 VAL A 9 1.858 0.857 -1.532 1.00 1.40 H ATOM 121 N CYS A 10 -1.621 2.141 1.203 1.00 0.18 N ATOM 122 CA CYS A 10 -1.711 2.681 2.550 1.00 0.28 C ATOM 123 C CYS A 10 -0.687 2.035 3.480 1.00 0.38 C ATOM 124 O CYS A 10 -0.077 2.716 4.306 1.00 0.60 O ATOM 125 CB CYS A 10 -3.123 2.484 3.106 1.00 0.33 C ATOM 126 SG CYS A 10 -3.625 0.740 3.317 1.00 0.44 S ATOM 127 H CYS A 10 -2.350 1.561 0.875 1.00 0.18 H ATOM 128 HA CYS A 10 -1.503 3.739 2.493 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.186 2.960 4.073 1.00 0.48 H ATOM 130 HB3 CYS A 10 -3.831 2.949 2.435 1.00 0.35 H ATOM 131 N CYS A 11 -0.500 0.727 3.320 1.00 0.44 N ATOM 132 CA CYS A 11 0.406 -0.045 4.162 1.00 0.64 C ATOM 133 C CYS A 11 -0.079 -0.013 5.612 1.00 1.15 C ATOM 134 O CYS A 11 -1.089 -0.683 5.909 1.00 1.79 O ATOM 135 CB CYS A 11 1.838 0.494 4.053 1.00 0.65 C ATOM 136 SG CYS A 11 2.433 0.691 2.339 1.00 0.87 S ATOM 137 OXT CYS A 11 0.518 0.716 6.437 1.00 1.79 O ATOM 138 H CYS A 11 -0.993 0.262 2.617 1.00 0.49 H ATOM 139 HA CYS A 11 0.383 -1.067 3.816 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.888 1.462 4.531 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.507 -0.188 4.557 1.00 0.95 H TER 142 CYS A 11 ENDMDL MODEL 20 ATOM 1 N ASP A 1 8.049 2.644 -1.752 1.00 1.83 N ATOM 2 CA ASP A 1 7.633 1.325 -2.288 1.00 1.46 C ATOM 3 C ASP A 1 7.011 0.475 -1.183 1.00 1.18 C ATOM 4 O ASP A 1 7.356 -0.694 -1.006 1.00 1.61 O ATOM 5 CB ASP A 1 8.839 0.595 -2.898 1.00 2.14 C ATOM 6 CG ASP A 1 9.939 0.345 -1.886 1.00 2.80 C ATOM 7 OD1 ASP A 1 10.403 1.319 -1.259 1.00 3.39 O ATOM 8 OD2 ASP A 1 10.339 -0.825 -1.706 1.00 3.29 O ATOM 9 H1 ASP A 1 8.405 3.250 -2.521 1.00 2.20 H ATOM 10 H2 ASP A 1 8.807 2.521 -1.049 1.00 2.13 H ATOM 11 H3 ASP A 1 7.240 3.121 -1.299 1.00 2.38 H ATOM 12 HA ASP A 1 6.892 1.490 -3.058 1.00 1.80 H ATOM 13 HB2 ASP A 1 8.513 -0.359 -3.289 1.00 2.50 H ATOM 14 HB3 ASP A 1 9.243 1.188 -3.705 1.00 2.65 H ATOM 15 N CYS A 2 6.092 1.072 -0.433 1.00 0.68 N ATOM 16 CA CYS A 2 5.403 0.365 0.636 1.00 0.44 C ATOM 17 C CYS A 2 4.406 -0.621 0.041 1.00 0.33 C ATOM 18 O CYS A 2 3.858 -0.389 -1.040 1.00 0.57 O ATOM 19 CB CYS A 2 4.699 1.364 1.557 1.00 0.46 C ATOM 20 SG CYS A 2 4.000 0.628 3.076 1.00 0.79 S ATOM 21 H CYS A 2 5.862 2.012 -0.606 1.00 0.80 H ATOM 22 HA CYS A 2 6.141 -0.183 1.204 1.00 0.59 H ATOM 23 HB2 CYS A 2 5.405 2.122 1.859 1.00 0.67 H ATOM 24 HB3 CYS A 2 3.888 1.830 1.016 1.00 0.43 H ATOM 25 N GLN A 3 4.189 -1.721 0.744 1.00 0.38 N ATOM 26 CA GLN A 3 3.378 -2.817 0.235 1.00 0.40 C ATOM 27 C GLN A 3 1.901 -2.439 0.159 1.00 0.29 C ATOM 28 O GLN A 3 1.308 -1.979 1.139 1.00 0.39 O ATOM 29 CB GLN A 3 3.558 -4.057 1.113 1.00 0.65 C ATOM 30 CG GLN A 3 5.012 -4.468 1.293 1.00 1.47 C ATOM 31 CD GLN A 3 5.758 -4.568 -0.023 1.00 2.09 C ATOM 32 OE1 GLN A 3 6.366 -3.603 -0.483 1.00 2.58 O ATOM 33 NE2 GLN A 3 5.708 -5.730 -0.646 1.00 2.85 N ATOM 34 H GLN A 3 4.590 -1.803 1.636 1.00 0.62 H ATOM 35 HA GLN A 3 3.722 -3.046 -0.761 1.00 0.47 H ATOM 36 HB2 GLN A 3 3.137 -3.857 2.088 1.00 1.26 H ATOM 37 HB3 GLN A 3 3.026 -4.881 0.664 1.00 1.21 H ATOM 38 HG2 GLN A 3 5.506 -3.739 1.916 1.00 2.06 H ATOM 39 HG3 GLN A 3 5.039 -5.432 1.779 1.00 2.10 H ATOM 40 HE21 GLN A 3 5.190 -6.461 -0.229 1.00 3.08 H ATOM 41 HE22 GLN A 3 6.189 -5.822 -1.500 1.00 3.46 H ATOM 42 N PRO A 4 1.308 -2.615 -1.034 1.00 0.26 N ATOM 43 CA PRO A 4 -0.120 -2.386 -1.272 1.00 0.29 C ATOM 44 C PRO A 4 -1.002 -3.166 -0.300 1.00 0.28 C ATOM 45 O PRO A 4 -0.954 -4.397 -0.239 1.00 0.40 O ATOM 46 CB PRO A 4 -0.314 -2.886 -2.705 1.00 0.42 C ATOM 47 CG PRO A 4 1.007 -2.699 -3.335 1.00 0.47 C ATOM 48 CD PRO A 4 1.999 -3.036 -2.264 1.00 0.38 C ATOM 49 HA PRO A 4 -0.365 -1.335 -1.220 1.00 0.33 H ATOM 50 HB2 PRO A 4 -0.591 -3.922 -2.691 1.00 0.43 H ATOM 51 HB3 PRO A 4 -1.076 -2.302 -3.199 1.00 0.51 H ATOM 52 HG2 PRO A 4 1.116 -3.367 -4.179 1.00 0.57 H ATOM 53 HG3 PRO A 4 1.116 -1.678 -3.642 1.00 0.51 H ATOM 54 HD2 PRO A 4 2.195 -4.098 -2.255 1.00 0.45 H ATOM 55 HD3 PRO A 4 2.914 -2.480 -2.406 1.00 0.43 H ATOM 56 N CYS A 5 -1.807 -2.438 0.450 1.00 0.29 N ATOM 57 CA CYS A 5 -2.603 -3.015 1.521 1.00 0.34 C ATOM 58 C CYS A 5 -3.998 -3.416 1.048 1.00 0.44 C ATOM 59 O CYS A 5 -4.566 -4.401 1.511 1.00 1.18 O ATOM 60 CB CYS A 5 -2.721 -2.004 2.643 1.00 0.40 C ATOM 61 SG CYS A 5 -3.323 -0.378 2.076 1.00 0.51 S ATOM 62 H CYS A 5 -1.867 -1.477 0.281 1.00 0.38 H ATOM 63 HA CYS A 5 -2.094 -3.883 1.897 1.00 0.40 H ATOM 64 HB2 CYS A 5 -3.409 -2.383 3.379 1.00 0.43 H ATOM 65 HB3 CYS A 5 -1.751 -1.861 3.094 1.00 0.49 H ATOM 66 N GLY A 6 -4.536 -2.657 0.107 1.00 0.43 N ATOM 67 CA GLY A 6 -5.914 -2.835 -0.288 1.00 0.42 C ATOM 68 C GLY A 6 -6.486 -1.559 -0.852 1.00 0.31 C ATOM 69 O GLY A 6 -7.170 -1.571 -1.875 1.00 0.49 O ATOM 70 H GLY A 6 -3.981 -1.987 -0.347 1.00 1.00 H ATOM 71 HA2 GLY A 6 -5.970 -3.612 -1.036 1.00 0.51 H ATOM 72 HA3 GLY A 6 -6.492 -3.126 0.572 1.00 0.48 H ATOM 73 N HIS A 7 -6.204 -0.450 -0.180 1.00 0.28 N ATOM 74 CA HIS A 7 -6.574 0.857 -0.701 1.00 0.32 C ATOM 75 C HIS A 7 -5.690 1.169 -1.896 1.00 0.31 C ATOM 76 O HIS A 7 -6.148 1.216 -3.037 1.00 0.55 O ATOM 77 CB HIS A 7 -6.415 1.944 0.366 1.00 0.47 C ATOM 78 CG HIS A 7 -7.437 1.900 1.461 1.00 1.15 C ATOM 79 ND1 HIS A 7 -7.718 2.987 2.256 1.00 1.86 N ATOM 80 CD2 HIS A 7 -8.232 0.900 1.906 1.00 2.02 C ATOM 81 CE1 HIS A 7 -8.637 2.661 3.141 1.00 2.52 C ATOM 82 NE2 HIS A 7 -8.967 1.400 2.950 1.00 2.62 N ATOM 83 H HIS A 7 -5.731 -0.515 0.681 1.00 0.44 H ATOM 84 HA HIS A 7 -7.605 0.814 -1.022 1.00 0.39 H ATOM 85 HB2 HIS A 7 -5.442 1.846 0.823 1.00 0.82 H ATOM 86 HB3 HIS A 7 -6.482 2.912 -0.111 1.00 0.98 H ATOM 87 HD1 HIS A 7 -7.293 3.880 2.184 1.00 2.24 H ATOM 88 HD2 HIS A 7 -8.281 -0.106 1.513 1.00 2.53 H ATOM 89 HE1 HIS A 7 -9.052 3.315 3.894 1.00 3.21 H ATOM 90 HE2 HIS A 7 -9.528 0.862 3.567 1.00 3.33 H ATOM 91 N ASN A 8 -4.416 1.365 -1.608 1.00 0.24 N ATOM 92 CA ASN A 8 -3.389 1.479 -2.628 1.00 0.30 C ATOM 93 C ASN A 8 -2.045 1.190 -1.993 1.00 0.29 C ATOM 94 O ASN A 8 -1.389 0.208 -2.321 1.00 0.41 O ATOM 95 CB ASN A 8 -3.386 2.872 -3.260 1.00 0.37 C ATOM 96 CG ASN A 8 -2.441 2.961 -4.444 1.00 0.95 C ATOM 97 OD1 ASN A 8 -1.272 3.319 -4.301 1.00 1.54 O ATOM 98 ND2 ASN A 8 -2.944 2.642 -5.626 1.00 1.71 N ATOM 99 H ASN A 8 -4.151 1.444 -0.670 1.00 0.37 H ATOM 100 HA ASN A 8 -3.586 0.739 -3.389 1.00 0.39 H ATOM 101 HB2 ASN A 8 -4.382 3.110 -3.600 1.00 0.79 H ATOM 102 HB3 ASN A 8 -3.076 3.597 -2.521 1.00 0.73 H ATOM 103 HD21 ASN A 8 -3.892 2.370 -5.673 1.00 2.11 H ATOM 104 HD22 ASN A 8 -2.350 2.679 -6.412 1.00 2.15 H ATOM 105 N VAL A 9 -1.674 2.027 -1.033 1.00 0.20 N ATOM 106 CA VAL A 9 -0.424 1.886 -0.299 1.00 0.26 C ATOM 107 C VAL A 9 -0.592 2.476 1.093 1.00 0.23 C ATOM 108 O VAL A 9 0.251 3.230 1.575 1.00 0.34 O ATOM 109 CB VAL A 9 0.765 2.578 -1.011 1.00 0.37 C ATOM 110 CG1 VAL A 9 1.217 1.790 -2.232 1.00 0.65 C ATOM 111 CG2 VAL A 9 0.408 4.008 -1.401 1.00 0.73 C ATOM 112 H VAL A 9 -2.275 2.775 -0.797 1.00 0.19 H ATOM 113 HA VAL A 9 -0.200 0.833 -0.208 1.00 0.30 H ATOM 114 HB VAL A 9 1.586 2.611 -0.315 1.00 0.64 H ATOM 115 HG11 VAL A 9 0.398 1.712 -2.932 1.00 1.16 H ATOM 116 HG12 VAL A 9 1.527 0.799 -1.929 1.00 1.30 H ATOM 117 HG13 VAL A 9 2.044 2.300 -2.703 1.00 1.09 H ATOM 118 HG21 VAL A 9 1.256 4.470 -1.887 1.00 1.17 H ATOM 119 HG22 VAL A 9 0.150 4.569 -0.516 1.00 1.33 H ATOM 120 HG23 VAL A 9 -0.432 3.994 -2.078 1.00 1.40 H ATOM 121 N CYS A 10 -1.701 2.130 1.734 1.00 0.18 N ATOM 122 CA CYS A 10 -2.038 2.706 3.026 1.00 0.28 C ATOM 123 C CYS A 10 -1.067 2.234 4.100 1.00 0.38 C ATOM 124 O CYS A 10 -0.665 3.012 4.964 1.00 0.60 O ATOM 125 CB CYS A 10 -3.481 2.360 3.405 1.00 0.33 C ATOM 126 SG CYS A 10 -3.777 0.602 3.791 1.00 0.44 S ATOM 127 H CYS A 10 -2.308 1.471 1.329 1.00 0.18 H ATOM 128 HA CYS A 10 -1.952 3.777 2.934 1.00 0.41 H ATOM 129 HB2 CYS A 10 -3.763 2.938 4.272 1.00 0.48 H ATOM 130 HB3 CYS A 10 -4.125 2.627 2.576 1.00 0.35 H ATOM 131 N CYS A 11 -0.680 0.960 4.014 1.00 0.44 N ATOM 132 CA CYS A 11 0.274 0.357 4.944 1.00 0.64 C ATOM 133 C CYS A 11 -0.303 0.325 6.358 1.00 1.15 C ATOM 134 O CYS A 11 -0.160 1.325 7.095 1.00 1.79 O ATOM 135 CB CYS A 11 1.606 1.115 4.912 1.00 0.65 C ATOM 136 SG CYS A 11 2.180 1.509 3.224 1.00 0.87 S ATOM 137 OXT CYS A 11 -0.928 -0.692 6.720 1.00 1.79 O ATOM 138 H CYS A 11 -1.049 0.406 3.304 1.00 0.49 H ATOM 139 HA CYS A 11 0.443 -0.660 4.622 1.00 1.05 H ATOM 140 HB2 CYS A 11 1.496 2.046 5.448 1.00 0.85 H ATOM 141 HB3 CYS A 11 2.365 0.515 5.389 1.00 0.95 H TER 142 CYS A 11 ENDMDL CONECT 20 136 CONECT 61 126 CONECT 126 61 CONECT 136 20 MASTER 136 0 0 0 0 0 0 6 78 1 4 1 END