HEADER UNKNOWN FUNCTION 09-OCT-13 SMS21046 TITLE AIP-II COMPND MOL_ID: 1; COMPND 2 MOLECULE: AIP-II; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS AUTOINDUCING PEPTIDE, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR Y.TAL-GAN,M.IVANCIC,G.CORNILESCU,C.C.CORNILESCU,H.E.BLACKWELL JRNL AUTH Y.TAL-GAN,M.IVANCIC,G.CORNILESCU,C.C.CORNILESCU, JRNL AUTH 2 H.E.BLACKWELL JRNL TITL STRUCTURAL CHARACTERIZATION OF AN AUTOINDUCING PEPTIDE AND JRNL TITL 2 ABIOTIC ANALOGS REVEALS KEY FEATURES ESSENTIAL FOR JRNL TITL 3 ACTIVATION AND INHIBITION OF AN AGRC QUORUM SENSING RECEPTOR JRNL TITL 4 IN STAPHYLOCOCCUS AUREUS JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR_NIH REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 20-NOV-13. REMARK 100 THE BMRB ID CODE IS SMS21046. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 3.65 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 1 MM AIP-II, 70% H2O/ 30% CD3CN REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H COSY; REMARK 210 2D 1H-1H ROESY 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 : X-PLOR_NIH, SPARKY REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 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: LOCK ON CD3CN USE SOLVENT SUPPRESSION OF HOD PEAK 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 3 73.46 -151.81 REMARK 500 1 CYS A 5 17.45 -166.63 REMARK 500 1 SER A 7 27.80 -77.29 REMARK 500 1 LEU A 8 30.67 72.08 REMARK 500 2 ASN A 3 71.24 48.89 REMARK 500 2 LEU A 8 9.17 49.58 REMARK 500 3 ASN A 3 72.62 -151.36 REMARK 500 3 ALA A 4 14.71 -157.29 REMARK 500 3 SER A 7 -107.95 -64.55 REMARK 500 3 LEU A 8 37.98 -140.96 REMARK 500 4 ASN A 3 71.12 48.67 REMARK 500 4 CYS A 5 82.74 -172.79 REMARK 500 4 LEU A 8 13.47 46.71 REMARK 500 5 ASN A 3 75.54 -155.94 REMARK 500 5 CYS A 5 18.63 -173.24 REMARK 500 5 LEU A 8 50.80 -174.06 REMARK 500 6 ASN A 3 71.35 48.70 REMARK 500 6 SER A 6 47.91 -157.34 REMARK 500 6 SER A 7 -77.60 167.18 REMARK 500 7 ASN A 3 73.01 -151.08 REMARK 500 7 SER A 6 -69.18 -136.93 REMARK 500 7 SER A 7 -83.29 -67.91 REMARK 500 8 ASN A 3 71.25 48.65 REMARK 500 8 CYS A 5 102.20 -164.99 REMARK 500 8 SER A 6 -80.31 -77.00 REMARK 500 8 LEU A 8 -41.22 178.64 REMARK 500 9 ASN A 3 71.34 48.74 REMARK 500 9 ALA A 4 24.18 -157.40 REMARK 500 9 SER A 7 -77.07 -58.69 REMARK 500 9 LEU A 8 48.98 179.56 REMARK 500 10 ASN A 3 71.31 50.49 REMARK 500 10 ALA A 4 24.26 -157.45 REMARK 500 10 CYS A 5 80.13 -166.46 REMARK 500 10 SER A 7 -85.26 -71.88 REMARK 500 10 LEU A 8 49.18 -172.34 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SMS21035 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21046 RELATED DB: BMRB DBREF A 1 9 BMRB SMS21046 SMS21046 1 9 SEQRES 1 A 9 GLY VAL ASN ALA CYS SER SER LEU PHE LINK SG CYS A 5 C PHE A 9 1555 1555 1.81 CISPEP 1 ASN A 3 ALA A 4 1 0.08 CISPEP 2 ASN A 3 ALA A 4 2 0.10 CISPEP 3 ASN A 3 ALA A 4 3 0.03 CISPEP 4 ASN A 3 ALA A 4 4 0.17 CISPEP 5 ASN A 3 ALA A 4 5 -0.13 CISPEP 6 ASN A 3 ALA A 4 6 -0.04 CISPEP 7 ASN A 3 ALA A 4 7 0.09 CISPEP 8 ASN A 3 ALA A 4 8 0.08 CISPEP 9 ASN A 3 ALA A 4 9 -0.05 CISPEP 10 ASN A 3 ALA A 4 10 -0.02 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 GLY A 1 31.800 4.503 3.819 1.00 0.00 N ATOM 2 CA GLY A 1 30.888 3.833 2.848 1.00 0.00 C ATOM 3 C GLY A 1 30.701 2.374 3.248 1.00 0.00 C ATOM 4 O GLY A 1 29.791 1.700 2.766 1.00 0.00 O ATOM 5 H1 GLY A 1 31.315 4.614 4.731 1.00 0.00 H ATOM 6 H2 GLY A 1 32.069 5.439 3.451 1.00 0.00 H ATOM 7 H3 GLY A 1 32.653 3.923 3.950 1.00 0.00 H ATOM 8 HA2 GLY A 1 29.931 4.335 2.849 1.00 0.00 H ATOM 9 HA3 GLY A 1 31.318 3.880 1.859 1.00 0.00 H ATOM 10 N VAL A 2 31.568 1.892 4.132 1.00 0.00 N ATOM 11 CA VAL A 2 31.488 0.510 4.590 1.00 0.00 C ATOM 12 C VAL A 2 31.620 0.440 6.108 1.00 0.00 C ATOM 13 O VAL A 2 32.008 1.415 6.753 1.00 0.00 O ATOM 14 CB VAL A 2 32.597 -0.320 3.941 1.00 0.00 C ATOM 15 CG1 VAL A 2 32.313 -0.473 2.446 1.00 0.00 C ATOM 16 CG2 VAL A 2 33.941 0.387 4.134 1.00 0.00 C ATOM 17 H VAL A 2 32.274 2.475 4.483 1.00 0.00 H ATOM 18 HA VAL A 2 30.533 0.100 4.302 1.00 0.00 H ATOM 19 HB VAL A 2 32.632 -1.297 4.402 1.00 0.00 H ATOM 20 HG11 VAL A 2 31.316 -0.864 2.307 1.00 0.00 H ATOM 21 HG12 VAL A 2 33.031 -1.152 2.010 1.00 0.00 H ATOM 22 HG13 VAL A 2 32.392 0.491 1.964 1.00 0.00 H ATOM 23 HG21 VAL A 2 34.020 0.737 5.153 1.00 0.00 H ATOM 24 HG22 VAL A 2 34.007 1.227 3.458 1.00 0.00 H ATOM 25 HG23 VAL A 2 34.744 -0.305 3.928 1.00 0.00 H ATOM 26 N ASN A 3 31.294 -0.718 6.672 1.00 0.00 N ATOM 27 CA ASN A 3 31.378 -0.903 8.117 1.00 0.00 C ATOM 28 C ASN A 3 31.642 -2.366 8.456 1.00 0.00 C ATOM 29 O ASN A 3 30.752 -3.076 8.923 1.00 0.00 O ATOM 30 CB ASN A 3 30.074 -0.452 8.778 1.00 0.00 C ATOM 31 CG ASN A 3 30.289 -0.256 10.274 1.00 0.00 C ATOM 32 OD1 ASN A 3 31.080 0.593 10.683 1.00 0.00 O ATOM 33 ND2 ASN A 3 29.626 -0.996 11.121 1.00 0.00 N ATOM 34 H ASN A 3 30.992 -1.461 6.108 1.00 0.00 H ATOM 35 HA ASN A 3 32.189 -0.302 8.501 1.00 0.00 H ATOM 36 HB2 ASN A 3 29.753 0.480 8.336 1.00 0.00 H ATOM 37 HB3 ASN A 3 29.314 -1.204 8.620 1.00 0.00 H ATOM 38 HD21 ASN A 3 28.996 -1.672 10.794 1.00 0.00 H ATOM 39 HD22 ASN A 3 29.758 -0.877 12.085 1.00 0.00 H ATOM 40 N ALA A 4 32.871 -2.812 8.215 1.00 0.00 N ATOM 41 CA ALA A 4 33.896 -1.935 7.659 1.00 0.00 C ATOM 42 C ALA A 4 34.980 -2.751 6.963 1.00 0.00 C ATOM 43 O ALA A 4 35.302 -3.861 7.386 1.00 0.00 O ATOM 44 CB ALA A 4 34.522 -1.093 8.771 1.00 0.00 C ATOM 45 H ALA A 4 33.093 -3.745 8.415 1.00 0.00 H ATOM 46 HA ALA A 4 33.437 -1.274 6.938 1.00 0.00 H ATOM 47 HB1 ALA A 4 33.954 -1.217 9.681 1.00 0.00 H ATOM 48 HB2 ALA A 4 34.516 -0.052 8.482 1.00 0.00 H ATOM 49 HB3 ALA A 4 35.540 -1.415 8.936 1.00 0.00 H ATOM 50 N CYS A 5 35.538 -2.194 5.894 1.00 0.00 N ATOM 51 CA CYS A 5 36.587 -2.880 5.147 1.00 0.00 C ATOM 52 C CYS A 5 37.284 -1.921 4.186 1.00 0.00 C ATOM 53 O CYS A 5 37.964 -2.353 3.254 1.00 0.00 O ATOM 54 CB CYS A 5 35.990 -4.051 4.365 1.00 0.00 C ATOM 55 SG CYS A 5 37.326 -5.051 3.662 1.00 0.00 S ATOM 56 H CYS A 5 35.241 -1.308 5.602 1.00 0.00 H ATOM 57 HA CYS A 5 37.319 -3.263 5.842 1.00 0.00 H ATOM 58 HB2 CYS A 5 35.396 -4.661 5.029 1.00 0.00 H ATOM 59 HB3 CYS A 5 35.367 -3.672 3.569 1.00 0.00 H ATOM 60 N SER A 6 37.114 -0.624 4.418 1.00 0.00 N ATOM 61 CA SER A 6 37.736 0.383 3.566 1.00 0.00 C ATOM 62 C SER A 6 39.256 0.290 3.649 1.00 0.00 C ATOM 63 O SER A 6 39.959 0.572 2.678 1.00 0.00 O ATOM 64 CB SER A 6 37.285 1.779 3.993 1.00 0.00 C ATOM 65 OG SER A 6 37.818 2.073 5.277 1.00 0.00 O ATOM 66 H SER A 6 36.562 -0.339 5.176 1.00 0.00 H ATOM 67 HA SER A 6 37.430 0.214 2.545 1.00 0.00 H ATOM 68 HB2 SER A 6 37.643 2.507 3.285 1.00 0.00 H ATOM 69 HB3 SER A 6 36.203 1.813 4.025 1.00 0.00 H ATOM 70 HG SER A 6 38.066 3.001 5.291 1.00 0.00 H ATOM 71 N SER A 7 39.758 -0.107 4.814 1.00 0.00 N ATOM 72 CA SER A 7 41.197 -0.235 5.011 1.00 0.00 C ATOM 73 C SER A 7 41.715 -1.513 4.362 1.00 0.00 C ATOM 74 O SER A 7 42.718 -2.080 4.798 1.00 0.00 O ATOM 75 CB SER A 7 41.518 -0.253 6.506 1.00 0.00 C ATOM 76 OG SER A 7 41.062 -1.476 7.069 1.00 0.00 O ATOM 77 H SER A 7 39.149 -0.319 5.553 1.00 0.00 H ATOM 78 HA SER A 7 41.689 0.613 4.560 1.00 0.00 H ATOM 79 HB2 SER A 7 42.584 -0.172 6.648 1.00 0.00 H ATOM 80 HB3 SER A 7 41.029 0.582 6.988 1.00 0.00 H ATOM 81 HG SER A 7 40.427 -1.266 7.758 1.00 0.00 H ATOM 82 N LEU A 8 41.027 -1.962 3.317 1.00 0.00 N ATOM 83 CA LEU A 8 41.426 -3.177 2.617 1.00 0.00 C ATOM 84 C LEU A 8 41.128 -4.408 3.468 1.00 0.00 C ATOM 85 O LEU A 8 41.829 -5.417 3.385 1.00 0.00 O ATOM 86 CB LEU A 8 42.921 -3.128 2.293 1.00 0.00 C ATOM 87 CG LEU A 8 43.161 -3.715 0.902 1.00 0.00 C ATOM 88 CD1 LEU A 8 44.598 -3.422 0.466 1.00 0.00 C ATOM 89 CD2 LEU A 8 42.941 -5.228 0.942 1.00 0.00 C ATOM 90 H LEU A 8 40.238 -1.468 3.012 1.00 0.00 H ATOM 91 HA LEU A 8 40.872 -3.248 1.693 1.00 0.00 H ATOM 92 HB2 LEU A 8 43.259 -2.103 2.317 1.00 0.00 H ATOM 93 HB3 LEU A 8 43.466 -3.704 3.024 1.00 0.00 H ATOM 94 HG LEU A 8 42.473 -3.268 0.199 1.00 0.00 H ATOM 95 HD11 LEU A 8 44.717 -2.360 0.308 1.00 0.00 H ATOM 96 HD12 LEU A 8 44.809 -3.947 -0.454 1.00 0.00 H ATOM 97 HD13 LEU A 8 45.282 -3.750 1.233 1.00 0.00 H ATOM 98 HD21 LEU A 8 43.492 -5.650 1.771 1.00 0.00 H ATOM 99 HD22 LEU A 8 43.288 -5.667 0.019 1.00 0.00 H ATOM 100 HD23 LEU A 8 41.888 -5.436 1.067 1.00 0.00 H ATOM 101 N PHE A 9 40.085 -4.318 4.287 1.00 0.00 N ATOM 102 CA PHE A 9 39.705 -5.430 5.149 1.00 0.00 C ATOM 103 C PHE A 9 38.191 -5.616 5.149 1.00 0.00 C ATOM 104 O PHE A 9 37.618 -5.651 6.225 1.00 0.00 O ATOM 105 CB PHE A 9 40.188 -5.171 6.578 1.00 0.00 C ATOM 106 CG PHE A 9 40.314 -6.485 7.312 1.00 0.00 C ATOM 107 CD1 PHE A 9 41.427 -7.305 7.094 1.00 0.00 C ATOM 108 CD2 PHE A 9 39.317 -6.881 8.211 1.00 0.00 C ATOM 109 CE1 PHE A 9 41.545 -8.522 7.776 1.00 0.00 C ATOM 110 CE2 PHE A 9 39.435 -8.099 8.894 1.00 0.00 C ATOM 111 CZ PHE A 9 40.549 -8.919 8.676 1.00 0.00 C ATOM 112 H PHE A 9 39.562 -3.489 4.310 1.00 0.00 H ATOM 113 HA PHE A 9 40.169 -6.332 4.783 1.00 0.00 H ATOM 114 HB2 PHE A 9 41.150 -4.681 6.549 1.00 0.00 H ATOM 115 HB3 PHE A 9 39.477 -4.540 7.090 1.00 0.00 H ATOM 116 HD1 PHE A 9 42.195 -6.999 6.399 1.00 0.00 H ATOM 117 HD2 PHE A 9 38.457 -6.251 8.378 1.00 0.00 H ATOM 118 HE1 PHE A 9 42.404 -9.154 7.608 1.00 0.00 H ATOM 119 HE2 PHE A 9 38.666 -8.405 9.587 1.00 0.00 H ATOM 120 HZ PHE A 9 40.639 -9.857 9.202 1.00 0.00 H TER 121 PHE A 9 ENDMDL MODEL 2 ATOM 1 N GLY A 1 32.390 0.479 1.349 1.00 0.00 N ATOM 2 CA GLY A 1 33.459 1.364 1.893 1.00 0.00 C ATOM 3 C GLY A 1 33.285 1.504 3.402 1.00 0.00 C ATOM 4 O GLY A 1 34.234 1.827 4.118 1.00 0.00 O ATOM 5 H1 GLY A 1 32.572 0.294 0.343 1.00 0.00 H ATOM 6 H2 GLY A 1 31.466 0.947 1.455 1.00 0.00 H ATOM 7 H3 GLY A 1 32.385 -0.420 1.870 1.00 0.00 H ATOM 8 HA2 GLY A 1 34.426 0.933 1.679 1.00 0.00 H ATOM 9 HA3 GLY A 1 33.388 2.339 1.435 1.00 0.00 H ATOM 10 N VAL A 2 32.070 1.258 3.879 1.00 0.00 N ATOM 11 CA VAL A 2 31.785 1.359 5.305 1.00 0.00 C ATOM 12 C VAL A 2 30.993 0.144 5.781 1.00 0.00 C ATOM 13 O VAL A 2 30.474 -0.626 4.973 1.00 0.00 O ATOM 14 CB VAL A 2 30.987 2.632 5.589 1.00 0.00 C ATOM 15 CG1 VAL A 2 31.877 3.855 5.355 1.00 0.00 C ATOM 16 CG2 VAL A 2 29.779 2.696 4.652 1.00 0.00 C ATOM 17 H VAL A 2 31.353 1.003 3.260 1.00 0.00 H ATOM 18 HA VAL A 2 32.718 1.403 5.847 1.00 0.00 H ATOM 19 HB VAL A 2 30.651 2.625 6.616 1.00 0.00 H ATOM 20 HG11 VAL A 2 32.787 3.753 5.928 1.00 0.00 H ATOM 21 HG12 VAL A 2 31.353 4.746 5.665 1.00 0.00 H ATOM 22 HG13 VAL A 2 32.119 3.927 4.305 1.00 0.00 H ATOM 23 HG21 VAL A 2 29.301 1.728 4.616 1.00 0.00 H ATOM 24 HG22 VAL A 2 30.106 2.974 3.661 1.00 0.00 H ATOM 25 HG23 VAL A 2 29.077 3.429 5.019 1.00 0.00 H ATOM 26 N ASN A 3 30.906 -0.021 7.096 1.00 0.00 N ATOM 27 CA ASN A 3 30.176 -1.146 7.669 1.00 0.00 C ATOM 28 C ASN A 3 30.595 -2.452 7.001 1.00 0.00 C ATOM 29 O ASN A 3 29.832 -3.044 6.239 1.00 0.00 O ATOM 30 CB ASN A 3 28.672 -0.939 7.488 1.00 0.00 C ATOM 31 CG ASN A 3 27.901 -1.853 8.435 1.00 0.00 C ATOM 32 OD1 ASN A 3 28.470 -2.377 9.392 1.00 0.00 O ATOM 33 ND2 ASN A 3 26.633 -2.076 8.223 1.00 0.00 N ATOM 34 H ASN A 3 31.340 0.625 7.692 1.00 0.00 H ATOM 35 HA ASN A 3 30.395 -1.205 8.724 1.00 0.00 H ATOM 36 HB2 ASN A 3 28.423 0.091 7.702 1.00 0.00 H ATOM 37 HB3 ASN A 3 28.398 -1.169 6.468 1.00 0.00 H ATOM 38 HD21 ASN A 3 26.183 -1.658 7.460 1.00 0.00 H ATOM 39 HD22 ASN A 3 26.132 -2.663 8.827 1.00 0.00 H ATOM 40 N ALA A 4 31.814 -2.895 7.293 1.00 0.00 N ATOM 41 CA ALA A 4 32.685 -2.161 8.204 1.00 0.00 C ATOM 42 C ALA A 4 34.146 -2.523 7.957 1.00 0.00 C ATOM 43 O ALA A 4 34.624 -3.562 8.417 1.00 0.00 O ATOM 44 CB ALA A 4 32.315 -2.481 9.653 1.00 0.00 C ATOM 45 H ALA A 4 32.133 -3.729 6.890 1.00 0.00 H ATOM 46 HA ALA A 4 32.555 -1.102 8.037 1.00 0.00 H ATOM 47 HB1 ALA A 4 32.173 -1.560 10.200 1.00 0.00 H ATOM 48 HB2 ALA A 4 33.110 -3.051 10.110 1.00 0.00 H ATOM 49 HB3 ALA A 4 31.401 -3.056 9.672 1.00 0.00 H ATOM 50 N CYS A 5 34.851 -1.663 7.231 1.00 0.00 N ATOM 51 CA CYS A 5 36.257 -1.904 6.931 1.00 0.00 C ATOM 52 C CYS A 5 36.952 -0.595 6.553 1.00 0.00 C ATOM 53 O CYS A 5 36.456 0.156 5.714 1.00 0.00 O ATOM 54 CB CYS A 5 36.382 -2.916 5.790 1.00 0.00 C ATOM 55 SG CYS A 5 37.971 -3.774 5.915 1.00 0.00 S ATOM 56 H CYS A 5 34.418 -0.853 6.890 1.00 0.00 H ATOM 57 HA CYS A 5 36.739 -2.307 7.808 1.00 0.00 H ATOM 58 HB2 CYS A 5 35.578 -3.635 5.858 1.00 0.00 H ATOM 59 HB3 CYS A 5 36.325 -2.401 4.843 1.00 0.00 H ATOM 60 N SER A 6 38.097 -0.330 7.175 1.00 0.00 N ATOM 61 CA SER A 6 38.843 0.891 6.894 1.00 0.00 C ATOM 62 C SER A 6 39.224 0.957 5.419 1.00 0.00 C ATOM 63 O SER A 6 38.860 1.900 4.714 1.00 0.00 O ATOM 64 CB SER A 6 40.107 0.940 7.751 1.00 0.00 C ATOM 65 OG SER A 6 39.743 0.930 9.126 1.00 0.00 O ATOM 66 H SER A 6 38.444 -0.965 7.836 1.00 0.00 H ATOM 67 HA SER A 6 38.226 1.743 7.135 1.00 0.00 H ATOM 68 HB2 SER A 6 40.720 0.079 7.541 1.00 0.00 H ATOM 69 HB3 SER A 6 40.663 1.839 7.521 1.00 0.00 H ATOM 70 HG SER A 6 40.240 0.233 9.560 1.00 0.00 H ATOM 71 N SER A 7 39.959 -0.049 4.956 1.00 0.00 N ATOM 72 CA SER A 7 40.379 -0.097 3.560 1.00 0.00 C ATOM 73 C SER A 7 41.057 -1.427 3.250 1.00 0.00 C ATOM 74 O SER A 7 41.475 -2.148 4.157 1.00 0.00 O ATOM 75 CB SER A 7 41.346 1.050 3.267 1.00 0.00 C ATOM 76 OG SER A 7 41.439 1.238 1.861 1.00 0.00 O ATOM 77 H SER A 7 40.223 -0.771 5.563 1.00 0.00 H ATOM 78 HA SER A 7 39.510 0.009 2.929 1.00 0.00 H ATOM 79 HB2 SER A 7 40.982 1.956 3.722 1.00 0.00 H ATOM 80 HB3 SER A 7 42.320 0.812 3.674 1.00 0.00 H ATOM 81 HG SER A 7 40.549 1.348 1.517 1.00 0.00 H ATOM 82 N LEU A 8 41.162 -1.748 1.965 1.00 0.00 N ATOM 83 CA LEU A 8 41.792 -2.994 1.547 1.00 0.00 C ATOM 84 C LEU A 8 41.218 -4.173 2.326 1.00 0.00 C ATOM 85 O LEU A 8 41.730 -5.290 2.247 1.00 0.00 O ATOM 86 CB LEU A 8 43.303 -2.917 1.774 1.00 0.00 C ATOM 87 CG LEU A 8 43.944 -2.078 0.667 1.00 0.00 C ATOM 88 CD1 LEU A 8 45.146 -1.320 1.232 1.00 0.00 C ATOM 89 CD2 LEU A 8 44.409 -2.998 -0.463 1.00 0.00 C ATOM 90 H LEU A 8 40.809 -1.136 1.286 1.00 0.00 H ATOM 91 HA LEU A 8 41.607 -3.146 0.494 1.00 0.00 H ATOM 92 HB2 LEU A 8 43.500 -2.459 2.733 1.00 0.00 H ATOM 93 HB3 LEU A 8 43.722 -3.911 1.757 1.00 0.00 H ATOM 94 HG LEU A 8 43.220 -1.373 0.285 1.00 0.00 H ATOM 95 HD11 LEU A 8 45.666 -0.819 0.428 1.00 0.00 H ATOM 96 HD12 LEU A 8 45.816 -2.014 1.715 1.00 0.00 H ATOM 97 HD13 LEU A 8 44.806 -0.588 1.951 1.00 0.00 H ATOM 98 HD21 LEU A 8 45.322 -3.496 -0.171 1.00 0.00 H ATOM 99 HD22 LEU A 8 44.587 -2.413 -1.354 1.00 0.00 H ATOM 100 HD23 LEU A 8 43.646 -3.736 -0.664 1.00 0.00 H ATOM 101 N PHE A 9 40.154 -3.917 3.079 1.00 0.00 N ATOM 102 CA PHE A 9 39.515 -4.966 3.864 1.00 0.00 C ATOM 103 C PHE A 9 38.111 -4.542 4.283 1.00 0.00 C ATOM 104 O PHE A 9 37.163 -5.133 3.791 1.00 0.00 O ATOM 105 CB PHE A 9 40.351 -5.270 5.108 1.00 0.00 C ATOM 106 CG PHE A 9 41.532 -6.129 4.724 1.00 0.00 C ATOM 107 CD1 PHE A 9 41.325 -7.418 4.222 1.00 0.00 C ATOM 108 CD2 PHE A 9 42.834 -5.639 4.882 1.00 0.00 C ATOM 109 CE1 PHE A 9 42.420 -8.217 3.872 1.00 0.00 C ATOM 110 CE2 PHE A 9 43.929 -6.438 4.533 1.00 0.00 C ATOM 111 CZ PHE A 9 43.722 -7.727 4.027 1.00 0.00 C ATOM 112 H PHE A 9 39.792 -3.005 3.107 1.00 0.00 H ATOM 113 HA PHE A 9 39.447 -5.861 3.264 1.00 0.00 H ATOM 114 HB2 PHE A 9 40.703 -4.344 5.540 1.00 0.00 H ATOM 115 HB3 PHE A 9 39.744 -5.795 5.831 1.00 0.00 H ATOM 116 HD1 PHE A 9 40.321 -7.797 4.103 1.00 0.00 H ATOM 117 HD2 PHE A 9 42.994 -4.648 5.281 1.00 0.00 H ATOM 118 HE1 PHE A 9 42.261 -9.212 3.482 1.00 0.00 H ATOM 119 HE2 PHE A 9 44.934 -6.060 4.654 1.00 0.00 H ATOM 120 HZ PHE A 9 44.567 -8.342 3.755 1.00 0.00 H TER 121 PHE A 9 ENDMDL MODEL 3 ATOM 1 N GLY A 1 33.620 2.692 3.944 1.00 0.00 N ATOM 2 CA GLY A 1 33.917 1.813 5.111 1.00 0.00 C ATOM 3 C GLY A 1 32.660 1.646 5.957 1.00 0.00 C ATOM 4 O GLY A 1 32.729 1.578 7.183 1.00 0.00 O ATOM 5 H1 GLY A 1 34.149 2.358 3.115 1.00 0.00 H ATOM 6 H2 GLY A 1 33.901 3.669 4.166 1.00 0.00 H ATOM 7 H3 GLY A 1 32.602 2.662 3.738 1.00 0.00 H ATOM 8 HA2 GLY A 1 34.246 0.846 4.758 1.00 0.00 H ATOM 9 HA3 GLY A 1 34.694 2.262 5.711 1.00 0.00 H ATOM 10 N VAL A 2 31.510 1.582 5.293 1.00 0.00 N ATOM 11 CA VAL A 2 30.242 1.423 5.994 1.00 0.00 C ATOM 12 C VAL A 2 30.201 0.088 6.733 1.00 0.00 C ATOM 13 O VAL A 2 29.756 0.015 7.877 1.00 0.00 O ATOM 14 CB VAL A 2 29.082 1.495 5.000 1.00 0.00 C ATOM 15 CG1 VAL A 2 27.789 1.058 5.691 1.00 0.00 C ATOM 16 CG2 VAL A 2 28.930 2.933 4.499 1.00 0.00 C ATOM 17 H VAL A 2 31.515 1.642 4.315 1.00 0.00 H ATOM 18 HA VAL A 2 30.136 2.223 6.712 1.00 0.00 H ATOM 19 HB VAL A 2 29.283 0.839 4.165 1.00 0.00 H ATOM 20 HG11 VAL A 2 26.941 1.367 5.097 1.00 0.00 H ATOM 21 HG12 VAL A 2 27.730 1.514 6.668 1.00 0.00 H ATOM 22 HG13 VAL A 2 27.782 -0.017 5.795 1.00 0.00 H ATOM 23 HG21 VAL A 2 29.902 3.333 4.252 1.00 0.00 H ATOM 24 HG22 VAL A 2 28.478 3.538 5.272 1.00 0.00 H ATOM 25 HG23 VAL A 2 28.302 2.943 3.620 1.00 0.00 H ATOM 26 N ASN A 3 30.667 -0.964 6.067 1.00 0.00 N ATOM 27 CA ASN A 3 30.679 -2.291 6.669 1.00 0.00 C ATOM 28 C ASN A 3 31.816 -3.130 6.095 1.00 0.00 C ATOM 29 O ASN A 3 31.586 -4.054 5.315 1.00 0.00 O ATOM 30 CB ASN A 3 29.345 -2.995 6.413 1.00 0.00 C ATOM 31 CG ASN A 3 28.250 -2.363 7.267 1.00 0.00 C ATOM 32 OD1 ASN A 3 27.149 -2.109 6.779 1.00 0.00 O ATOM 33 ND2 ASN A 3 28.488 -2.094 8.522 1.00 0.00 N ATOM 34 H ASN A 3 31.008 -0.845 5.156 1.00 0.00 H ATOM 35 HA ASN A 3 30.821 -2.192 7.736 1.00 0.00 H ATOM 36 HB2 ASN A 3 29.085 -2.898 5.369 1.00 0.00 H ATOM 37 HB3 ASN A 3 29.436 -4.040 6.664 1.00 0.00 H ATOM 38 HD21 ASN A 3 29.366 -2.297 8.908 1.00 0.00 H ATOM 39 HD22 ASN A 3 27.790 -1.688 9.077 1.00 0.00 H ATOM 40 N ALA A 4 33.043 -2.801 6.487 1.00 0.00 N ATOM 41 CA ALA A 4 33.268 -1.698 7.414 1.00 0.00 C ATOM 42 C ALA A 4 34.692 -1.165 7.277 1.00 0.00 C ATOM 43 O ALA A 4 35.174 -0.427 8.136 1.00 0.00 O ATOM 44 CB ALA A 4 33.034 -2.167 8.851 1.00 0.00 C ATOM 45 H ALA A 4 33.809 -3.308 6.147 1.00 0.00 H ATOM 46 HA ALA A 4 32.573 -0.903 7.189 1.00 0.00 H ATOM 47 HB1 ALA A 4 32.360 -1.484 9.348 1.00 0.00 H ATOM 48 HB2 ALA A 4 33.975 -2.193 9.380 1.00 0.00 H ATOM 49 HB3 ALA A 4 32.600 -3.156 8.840 1.00 0.00 H ATOM 50 N CYS A 5 35.358 -1.545 6.192 1.00 0.00 N ATOM 51 CA CYS A 5 36.726 -1.099 5.953 1.00 0.00 C ATOM 52 C CYS A 5 36.964 -0.880 4.462 1.00 0.00 C ATOM 53 O CYS A 5 37.161 -1.833 3.708 1.00 0.00 O ATOM 54 CB CYS A 5 37.715 -2.140 6.482 1.00 0.00 C ATOM 55 SG CYS A 5 37.457 -3.710 5.620 1.00 0.00 S ATOM 56 H CYS A 5 34.923 -2.134 5.541 1.00 0.00 H ATOM 57 HA CYS A 5 36.887 -0.169 6.475 1.00 0.00 H ATOM 58 HB2 CYS A 5 38.724 -1.796 6.312 1.00 0.00 H ATOM 59 HB3 CYS A 5 37.556 -2.281 7.541 1.00 0.00 H ATOM 60 N SER A 6 36.944 0.381 4.044 1.00 0.00 N ATOM 61 CA SER A 6 37.158 0.714 2.640 1.00 0.00 C ATOM 62 C SER A 6 38.524 0.218 2.174 1.00 0.00 C ATOM 63 O SER A 6 38.691 -0.176 1.020 1.00 0.00 O ATOM 64 CB SER A 6 37.069 2.228 2.443 1.00 0.00 C ATOM 65 OG SER A 6 35.786 2.680 2.853 1.00 0.00 O ATOM 66 H SER A 6 36.781 1.100 4.689 1.00 0.00 H ATOM 67 HA SER A 6 36.392 0.240 2.046 1.00 0.00 H ATOM 68 HB2 SER A 6 37.824 2.715 3.039 1.00 0.00 H ATOM 69 HB3 SER A 6 37.230 2.463 1.399 1.00 0.00 H ATOM 70 HG SER A 6 35.908 3.451 3.411 1.00 0.00 H ATOM 71 N SER A 7 39.495 0.239 3.081 1.00 0.00 N ATOM 72 CA SER A 7 40.845 -0.207 2.750 1.00 0.00 C ATOM 73 C SER A 7 40.850 -1.694 2.414 1.00 0.00 C ATOM 74 O SER A 7 40.366 -2.103 1.358 1.00 0.00 O ATOM 75 CB SER A 7 41.784 0.055 3.927 1.00 0.00 C ATOM 76 OG SER A 7 41.442 -0.809 5.002 1.00 0.00 O ATOM 77 H SER A 7 39.303 0.560 3.986 1.00 0.00 H ATOM 78 HA SER A 7 41.196 0.348 1.893 1.00 0.00 H ATOM 79 HB2 SER A 7 42.801 -0.135 3.628 1.00 0.00 H ATOM 80 HB3 SER A 7 41.691 1.088 4.238 1.00 0.00 H ATOM 81 HG SER A 7 40.514 -1.037 4.915 1.00 0.00 H ATOM 82 N LEU A 8 41.401 -2.498 3.318 1.00 0.00 N ATOM 83 CA LEU A 8 41.475 -3.939 3.100 1.00 0.00 C ATOM 84 C LEU A 8 41.205 -4.691 4.398 1.00 0.00 C ATOM 85 O LEU A 8 41.830 -5.715 4.675 1.00 0.00 O ATOM 86 CB LEU A 8 42.859 -4.315 2.567 1.00 0.00 C ATOM 87 CG LEU A 8 42.941 -3.981 1.077 1.00 0.00 C ATOM 88 CD1 LEU A 8 44.378 -3.595 0.719 1.00 0.00 C ATOM 89 CD2 LEU A 8 42.524 -5.204 0.258 1.00 0.00 C ATOM 90 H LEU A 8 41.763 -2.116 4.144 1.00 0.00 H ATOM 91 HA LEU A 8 40.733 -4.221 2.370 1.00 0.00 H ATOM 92 HB2 LEU A 8 43.615 -3.760 3.105 1.00 0.00 H ATOM 93 HB3 LEU A 8 43.022 -5.373 2.706 1.00 0.00 H ATOM 94 HG LEU A 8 42.281 -3.154 0.857 1.00 0.00 H ATOM 95 HD11 LEU A 8 45.060 -4.319 1.138 1.00 0.00 H ATOM 96 HD12 LEU A 8 44.599 -2.617 1.122 1.00 0.00 H ATOM 97 HD13 LEU A 8 44.488 -3.575 -0.356 1.00 0.00 H ATOM 98 HD21 LEU A 8 43.331 -5.921 0.244 1.00 0.00 H ATOM 99 HD22 LEU A 8 42.296 -4.899 -0.753 1.00 0.00 H ATOM 100 HD23 LEU A 8 41.650 -5.654 0.703 1.00 0.00 H ATOM 101 N PHE A 9 40.270 -4.176 5.192 1.00 0.00 N ATOM 102 CA PHE A 9 39.928 -4.809 6.460 1.00 0.00 C ATOM 103 C PHE A 9 38.414 -4.858 6.641 1.00 0.00 C ATOM 104 O PHE A 9 37.978 -5.248 7.712 1.00 0.00 O ATOM 105 CB PHE A 9 40.556 -4.031 7.618 1.00 0.00 C ATOM 106 CG PHE A 9 42.043 -4.296 7.654 1.00 0.00 C ATOM 107 CD1 PHE A 9 42.918 -3.473 6.934 1.00 0.00 C ATOM 108 CD2 PHE A 9 42.546 -5.364 8.405 1.00 0.00 C ATOM 109 CE1 PHE A 9 44.296 -3.717 6.969 1.00 0.00 C ATOM 110 CE2 PHE A 9 43.924 -5.609 8.439 1.00 0.00 C ATOM 111 CZ PHE A 9 44.799 -4.785 7.721 1.00 0.00 C ATOM 112 H PHE A 9 39.805 -3.359 4.919 1.00 0.00 H ATOM 113 HA PHE A 9 40.314 -5.816 6.466 1.00 0.00 H ATOM 114 HB2 PHE A 9 40.382 -2.974 7.479 1.00 0.00 H ATOM 115 HB3 PHE A 9 40.112 -4.350 8.549 1.00 0.00 H ATOM 116 HD1 PHE A 9 42.530 -2.650 6.354 1.00 0.00 H ATOM 117 HD2 PHE A 9 41.870 -6.001 8.957 1.00 0.00 H ATOM 118 HE1 PHE A 9 44.970 -3.082 6.415 1.00 0.00 H ATOM 119 HE2 PHE A 9 44.311 -6.434 9.020 1.00 0.00 H ATOM 120 HZ PHE A 9 45.861 -4.974 7.749 1.00 0.00 H TER 121 PHE A 9 ENDMDL MODEL 4 ATOM 1 N GLY A 1 34.048 1.887 1.696 1.00 0.00 N ATOM 2 CA GLY A 1 32.688 1.631 2.249 1.00 0.00 C ATOM 3 C GLY A 1 32.743 1.654 3.773 1.00 0.00 C ATOM 4 O GLY A 1 33.800 1.883 4.361 1.00 0.00 O ATOM 5 H1 GLY A 1 33.991 2.613 0.956 1.00 0.00 H ATOM 6 H2 GLY A 1 34.429 1.008 1.291 1.00 0.00 H ATOM 7 H3 GLY A 1 34.674 2.219 2.457 1.00 0.00 H ATOM 8 HA2 GLY A 1 32.008 2.395 1.899 1.00 0.00 H ATOM 9 HA3 GLY A 1 32.342 0.662 1.920 1.00 0.00 H ATOM 10 N VAL A 2 31.598 1.418 4.405 1.00 0.00 N ATOM 11 CA VAL A 2 31.529 1.415 5.862 1.00 0.00 C ATOM 12 C VAL A 2 30.846 0.147 6.363 1.00 0.00 C ATOM 13 O VAL A 2 30.112 -0.509 5.623 1.00 0.00 O ATOM 14 CB VAL A 2 30.754 2.640 6.350 1.00 0.00 C ATOM 15 CG1 VAL A 2 31.140 2.945 7.798 1.00 0.00 C ATOM 16 CG2 VAL A 2 31.097 3.843 5.469 1.00 0.00 C ATOM 17 H VAL A 2 30.788 1.242 3.883 1.00 0.00 H ATOM 18 HA VAL A 2 32.531 1.455 6.260 1.00 0.00 H ATOM 19 HB VAL A 2 29.694 2.441 6.295 1.00 0.00 H ATOM 20 HG11 VAL A 2 30.871 2.108 8.426 1.00 0.00 H ATOM 21 HG12 VAL A 2 30.616 3.828 8.132 1.00 0.00 H ATOM 22 HG13 VAL A 2 32.205 3.113 7.859 1.00 0.00 H ATOM 23 HG21 VAL A 2 30.711 3.681 4.472 1.00 0.00 H ATOM 24 HG22 VAL A 2 32.171 3.962 5.423 1.00 0.00 H ATOM 25 HG23 VAL A 2 30.654 4.734 5.886 1.00 0.00 H ATOM 26 N ASN A 3 31.093 -0.195 7.624 1.00 0.00 N ATOM 27 CA ASN A 3 30.498 -1.389 8.211 1.00 0.00 C ATOM 28 C ASN A 3 30.684 -2.590 7.292 1.00 0.00 C ATOM 29 O ASN A 3 29.728 -3.073 6.684 1.00 0.00 O ATOM 30 CB ASN A 3 29.006 -1.159 8.461 1.00 0.00 C ATOM 31 CG ASN A 3 28.461 -2.239 9.391 1.00 0.00 C ATOM 32 OD1 ASN A 3 27.758 -3.145 8.946 1.00 0.00 O ATOM 33 ND2 ASN A 3 28.745 -2.194 10.663 1.00 0.00 N ATOM 34 H ASN A 3 31.687 0.366 8.166 1.00 0.00 H ATOM 35 HA ASN A 3 30.981 -1.592 9.156 1.00 0.00 H ATOM 36 HB2 ASN A 3 28.864 -0.190 8.914 1.00 0.00 H ATOM 37 HB3 ASN A 3 28.476 -1.198 7.521 1.00 0.00 H ATOM 38 HD21 ASN A 3 29.306 -1.472 11.016 1.00 0.00 H ATOM 39 HD22 ASN A 3 28.399 -2.884 11.267 1.00 0.00 H ATOM 40 N ALA A 4 31.920 -3.068 7.192 1.00 0.00 N ATOM 41 CA ALA A 4 33.023 -2.465 7.932 1.00 0.00 C ATOM 42 C ALA A 4 34.356 -2.790 7.265 1.00 0.00 C ATOM 43 O ALA A 4 34.901 -3.879 7.443 1.00 0.00 O ATOM 44 CB ALA A 4 33.031 -2.982 9.372 1.00 0.00 C ATOM 45 H ALA A 4 32.093 -3.839 6.613 1.00 0.00 H ATOM 46 HA ALA A 4 32.891 -1.394 7.947 1.00 0.00 H ATOM 47 HB1 ALA A 4 32.134 -3.556 9.553 1.00 0.00 H ATOM 48 HB2 ALA A 4 33.068 -2.146 10.054 1.00 0.00 H ATOM 49 HB3 ALA A 4 33.897 -3.609 9.524 1.00 0.00 H ATOM 50 N CYS A 5 34.876 -1.837 6.497 1.00 0.00 N ATOM 51 CA CYS A 5 36.146 -2.032 5.809 1.00 0.00 C ATOM 52 C CYS A 5 36.609 -0.742 5.143 1.00 0.00 C ATOM 53 O CYS A 5 36.400 -0.549 3.945 1.00 0.00 O ATOM 54 CB CYS A 5 36.005 -3.130 4.752 1.00 0.00 C ATOM 55 SG CYS A 5 37.466 -3.132 3.685 1.00 0.00 S ATOM 56 H CYS A 5 34.396 -0.989 6.392 1.00 0.00 H ATOM 57 HA CYS A 5 36.891 -2.337 6.529 1.00 0.00 H ATOM 58 HB2 CYS A 5 35.912 -4.090 5.239 1.00 0.00 H ATOM 59 HB3 CYS A 5 35.124 -2.943 4.155 1.00 0.00 H ATOM 60 N SER A 6 37.245 0.131 5.916 1.00 0.00 N ATOM 61 CA SER A 6 37.743 1.393 5.380 1.00 0.00 C ATOM 62 C SER A 6 38.722 1.140 4.238 1.00 0.00 C ATOM 63 O SER A 6 38.720 1.855 3.236 1.00 0.00 O ATOM 64 CB SER A 6 38.437 2.192 6.482 1.00 0.00 C ATOM 65 OG SER A 6 37.513 2.445 7.532 1.00 0.00 O ATOM 66 H SER A 6 37.383 -0.076 6.865 1.00 0.00 H ATOM 67 HA SER A 6 36.908 1.967 5.006 1.00 0.00 H ATOM 68 HB2 SER A 6 39.268 1.626 6.870 1.00 0.00 H ATOM 69 HB3 SER A 6 38.800 3.126 6.074 1.00 0.00 H ATOM 70 HG SER A 6 36.861 3.070 7.208 1.00 0.00 H ATOM 71 N SER A 7 39.557 0.118 4.396 1.00 0.00 N ATOM 72 CA SER A 7 40.532 -0.225 3.368 1.00 0.00 C ATOM 73 C SER A 7 41.231 -1.537 3.709 1.00 0.00 C ATOM 74 O SER A 7 41.186 -1.998 4.849 1.00 0.00 O ATOM 75 CB SER A 7 41.569 0.889 3.240 1.00 0.00 C ATOM 76 OG SER A 7 42.269 0.741 2.011 1.00 0.00 O ATOM 77 H SER A 7 39.516 -0.414 5.219 1.00 0.00 H ATOM 78 HA SER A 7 40.021 -0.337 2.423 1.00 0.00 H ATOM 79 HB2 SER A 7 41.076 1.847 3.252 1.00 0.00 H ATOM 80 HB3 SER A 7 42.261 0.833 4.069 1.00 0.00 H ATOM 81 HG SER A 7 41.874 0.008 1.532 1.00 0.00 H ATOM 82 N LEU A 8 41.879 -2.134 2.714 1.00 0.00 N ATOM 83 CA LEU A 8 42.586 -3.392 2.921 1.00 0.00 C ATOM 84 C LEU A 8 41.712 -4.377 3.692 1.00 0.00 C ATOM 85 O LEU A 8 42.197 -5.395 4.185 1.00 0.00 O ATOM 86 CB LEU A 8 43.882 -3.141 3.693 1.00 0.00 C ATOM 87 CG LEU A 8 44.936 -2.561 2.750 1.00 0.00 C ATOM 88 CD1 LEU A 8 45.836 -1.594 3.521 1.00 0.00 C ATOM 89 CD2 LEU A 8 45.784 -3.696 2.173 1.00 0.00 C ATOM 90 H LEU A 8 41.882 -1.721 1.825 1.00 0.00 H ATOM 91 HA LEU A 8 42.831 -3.819 1.960 1.00 0.00 H ATOM 92 HB2 LEU A 8 43.693 -2.444 4.497 1.00 0.00 H ATOM 93 HB3 LEU A 8 44.243 -4.074 4.103 1.00 0.00 H ATOM 94 HG LEU A 8 44.445 -2.030 1.946 1.00 0.00 H ATOM 95 HD11 LEU A 8 45.267 -0.722 3.808 1.00 0.00 H ATOM 96 HD12 LEU A 8 46.663 -1.294 2.894 1.00 0.00 H ATOM 97 HD13 LEU A 8 46.215 -2.085 4.406 1.00 0.00 H ATOM 98 HD21 LEU A 8 45.142 -4.516 1.886 1.00 0.00 H ATOM 99 HD22 LEU A 8 46.488 -4.035 2.919 1.00 0.00 H ATOM 100 HD23 LEU A 8 46.321 -3.339 1.306 1.00 0.00 H ATOM 101 N PHE A 9 40.425 -4.065 3.793 1.00 0.00 N ATOM 102 CA PHE A 9 39.493 -4.930 4.508 1.00 0.00 C ATOM 103 C PHE A 9 38.093 -4.814 3.915 1.00 0.00 C ATOM 104 O PHE A 9 37.323 -5.747 4.080 1.00 0.00 O ATOM 105 CB PHE A 9 39.455 -4.545 5.988 1.00 0.00 C ATOM 106 CG PHE A 9 40.709 -5.041 6.669 1.00 0.00 C ATOM 107 CD1 PHE A 9 40.935 -6.416 6.804 1.00 0.00 C ATOM 108 CD2 PHE A 9 41.644 -4.126 7.166 1.00 0.00 C ATOM 109 CE1 PHE A 9 42.097 -6.876 7.435 1.00 0.00 C ATOM 110 CE2 PHE A 9 42.806 -4.585 7.799 1.00 0.00 C ATOM 111 CZ PHE A 9 43.032 -5.960 7.934 1.00 0.00 C ATOM 112 H PHE A 9 40.095 -3.239 3.379 1.00 0.00 H ATOM 113 HA PHE A 9 39.828 -5.952 4.422 1.00 0.00 H ATOM 114 HB2 PHE A 9 39.397 -3.471 6.080 1.00 0.00 H ATOM 115 HB3 PHE A 9 38.592 -4.994 6.455 1.00 0.00 H ATOM 116 HD1 PHE A 9 40.214 -7.122 6.420 1.00 0.00 H ATOM 117 HD2 PHE A 9 41.469 -3.064 7.063 1.00 0.00 H ATOM 118 HE1 PHE A 9 42.272 -7.937 7.539 1.00 0.00 H ATOM 119 HE2 PHE A 9 43.527 -3.879 8.182 1.00 0.00 H ATOM 120 HZ PHE A 9 43.928 -6.315 8.420 1.00 0.00 H TER 121 PHE A 9 ENDMDL MODEL 5 ATOM 1 N GLY A 1 32.681 -0.015 2.147 1.00 0.00 N ATOM 2 CA GLY A 1 33.538 -0.391 3.308 1.00 0.00 C ATOM 3 C GLY A 1 33.259 0.550 4.474 1.00 0.00 C ATOM 4 O GLY A 1 34.154 0.867 5.257 1.00 0.00 O ATOM 5 H1 GLY A 1 32.575 -0.833 1.515 1.00 0.00 H ATOM 6 H2 GLY A 1 33.125 0.770 1.629 1.00 0.00 H ATOM 7 H3 GLY A 1 31.745 0.281 2.489 1.00 0.00 H ATOM 8 HA2 GLY A 1 33.319 -1.408 3.602 1.00 0.00 H ATOM 9 HA3 GLY A 1 34.578 -0.312 3.027 1.00 0.00 H ATOM 10 N VAL A 2 32.010 0.993 4.584 1.00 0.00 N ATOM 11 CA VAL A 2 31.624 1.899 5.660 1.00 0.00 C ATOM 12 C VAL A 2 31.733 1.202 7.012 1.00 0.00 C ATOM 13 O VAL A 2 32.189 1.792 7.991 1.00 0.00 O ATOM 14 CB VAL A 2 30.189 2.381 5.446 1.00 0.00 C ATOM 15 CG1 VAL A 2 29.700 3.104 6.702 1.00 0.00 C ATOM 16 CG2 VAL A 2 30.146 3.343 4.256 1.00 0.00 C ATOM 17 H VAL A 2 31.338 0.707 3.931 1.00 0.00 H ATOM 18 HA VAL A 2 32.283 2.753 5.652 1.00 0.00 H ATOM 19 HB VAL A 2 29.550 1.532 5.249 1.00 0.00 H ATOM 20 HG11 VAL A 2 29.464 2.380 7.466 1.00 0.00 H ATOM 21 HG12 VAL A 2 28.817 3.680 6.466 1.00 0.00 H ATOM 22 HG13 VAL A 2 30.476 3.766 7.061 1.00 0.00 H ATOM 23 HG21 VAL A 2 30.564 4.295 4.548 1.00 0.00 H ATOM 24 HG22 VAL A 2 29.123 3.480 3.940 1.00 0.00 H ATOM 25 HG23 VAL A 2 30.722 2.931 3.440 1.00 0.00 H ATOM 26 N ASN A 3 31.310 -0.057 7.059 1.00 0.00 N ATOM 27 CA ASN A 3 31.358 -0.823 8.299 1.00 0.00 C ATOM 28 C ASN A 3 31.400 -2.320 8.003 1.00 0.00 C ATOM 29 O ASN A 3 30.401 -3.020 8.160 1.00 0.00 O ATOM 30 CB ASN A 3 30.132 -0.505 9.158 1.00 0.00 C ATOM 31 CG ASN A 3 30.317 -1.072 10.560 1.00 0.00 C ATOM 32 OD1 ASN A 3 29.705 -2.081 10.910 1.00 0.00 O ATOM 33 ND2 ASN A 3 31.131 -0.480 11.391 1.00 0.00 N ATOM 34 H ASN A 3 30.959 -0.478 6.246 1.00 0.00 H ATOM 35 HA ASN A 3 32.247 -0.549 8.845 1.00 0.00 H ATOM 36 HB2 ASN A 3 30.005 0.566 9.217 1.00 0.00 H ATOM 37 HB3 ASN A 3 29.255 -0.946 8.708 1.00 0.00 H ATOM 38 HD21 ASN A 3 31.617 0.323 11.112 1.00 0.00 H ATOM 39 HD22 ASN A 3 31.255 -0.839 12.295 1.00 0.00 H ATOM 40 N ALA A 4 32.563 -2.801 7.575 1.00 0.00 N ATOM 41 CA ALA A 4 33.720 -1.931 7.402 1.00 0.00 C ATOM 42 C ALA A 4 34.718 -2.554 6.431 1.00 0.00 C ATOM 43 O ALA A 4 34.945 -3.764 6.450 1.00 0.00 O ATOM 44 CB ALA A 4 34.400 -1.692 8.752 1.00 0.00 C ATOM 45 H ALA A 4 32.642 -3.756 7.371 1.00 0.00 H ATOM 46 HA ALA A 4 33.391 -0.982 7.006 1.00 0.00 H ATOM 47 HB1 ALA A 4 34.550 -0.634 8.897 1.00 0.00 H ATOM 48 HB2 ALA A 4 35.355 -2.197 8.768 1.00 0.00 H ATOM 49 HB3 ALA A 4 33.775 -2.080 9.543 1.00 0.00 H ATOM 50 N CYS A 5 35.311 -1.720 5.583 1.00 0.00 N ATOM 51 CA CYS A 5 36.289 -2.200 4.613 1.00 0.00 C ATOM 52 C CYS A 5 36.939 -1.029 3.878 1.00 0.00 C ATOM 53 O CYS A 5 37.522 -1.208 2.809 1.00 0.00 O ATOM 54 CB CYS A 5 35.612 -3.135 3.609 1.00 0.00 C ATOM 55 SG CYS A 5 36.837 -4.282 2.932 1.00 0.00 S ATOM 56 H CYS A 5 35.088 -0.767 5.612 1.00 0.00 H ATOM 57 HA CYS A 5 37.060 -2.747 5.134 1.00 0.00 H ATOM 58 HB2 CYS A 5 34.832 -3.694 4.106 1.00 0.00 H ATOM 59 HB3 CYS A 5 35.182 -2.552 2.807 1.00 0.00 H ATOM 60 N SER A 6 36.835 0.163 4.456 1.00 0.00 N ATOM 61 CA SER A 6 37.419 1.352 3.843 1.00 0.00 C ATOM 62 C SER A 6 38.921 1.173 3.653 1.00 0.00 C ATOM 63 O SER A 6 39.453 1.417 2.569 1.00 0.00 O ATOM 64 CB SER A 6 37.154 2.575 4.721 1.00 0.00 C ATOM 65 OG SER A 6 37.457 3.753 3.986 1.00 0.00 O ATOM 66 H SER A 6 36.360 0.246 5.308 1.00 0.00 H ATOM 67 HA SER A 6 36.959 1.509 2.879 1.00 0.00 H ATOM 68 HB2 SER A 6 36.118 2.594 5.012 1.00 0.00 H ATOM 69 HB3 SER A 6 37.774 2.521 5.607 1.00 0.00 H ATOM 70 HG SER A 6 38.068 4.279 4.508 1.00 0.00 H ATOM 71 N SER A 7 39.600 0.747 4.712 1.00 0.00 N ATOM 72 CA SER A 7 41.042 0.537 4.650 1.00 0.00 C ATOM 73 C SER A 7 41.376 -0.613 3.707 1.00 0.00 C ATOM 74 O SER A 7 41.942 -0.406 2.633 1.00 0.00 O ATOM 75 CB SER A 7 41.586 0.231 6.045 1.00 0.00 C ATOM 76 OG SER A 7 41.877 1.450 6.714 1.00 0.00 O ATOM 77 H SER A 7 39.124 0.570 5.550 1.00 0.00 H ATOM 78 HA SER A 7 41.512 1.438 4.284 1.00 0.00 H ATOM 79 HB2 SER A 7 40.848 -0.316 6.609 1.00 0.00 H ATOM 80 HB3 SER A 7 42.484 -0.368 5.957 1.00 0.00 H ATOM 81 HG SER A 7 42.823 1.605 6.651 1.00 0.00 H ATOM 82 N LEU A 8 41.022 -1.828 4.115 1.00 0.00 N ATOM 83 CA LEU A 8 41.291 -3.007 3.299 1.00 0.00 C ATOM 84 C LEU A 8 40.659 -4.246 3.922 1.00 0.00 C ATOM 85 O LEU A 8 41.321 -5.269 4.103 1.00 0.00 O ATOM 86 CB LEU A 8 42.802 -3.214 3.164 1.00 0.00 C ATOM 87 CG LEU A 8 43.078 -4.275 2.096 1.00 0.00 C ATOM 88 CD1 LEU A 8 43.411 -3.591 0.770 1.00 0.00 C ATOM 89 CD2 LEU A 8 44.261 -5.140 2.534 1.00 0.00 C ATOM 90 H LEU A 8 40.572 -1.934 4.979 1.00 0.00 H ATOM 91 HA LEU A 8 40.871 -2.855 2.315 1.00 0.00 H ATOM 92 HB2 LEU A 8 43.268 -2.283 2.876 1.00 0.00 H ATOM 93 HB3 LEU A 8 43.206 -3.543 4.108 1.00 0.00 H ATOM 94 HG LEU A 8 42.201 -4.895 1.972 1.00 0.00 H ATOM 95 HD11 LEU A 8 44.408 -3.178 0.819 1.00 0.00 H ATOM 96 HD12 LEU A 8 42.701 -2.798 0.585 1.00 0.00 H ATOM 97 HD13 LEU A 8 43.359 -4.313 -0.031 1.00 0.00 H ATOM 98 HD21 LEU A 8 45.097 -4.505 2.790 1.00 0.00 H ATOM 99 HD22 LEU A 8 44.544 -5.799 1.726 1.00 0.00 H ATOM 100 HD23 LEU A 8 43.979 -5.727 3.396 1.00 0.00 H ATOM 101 N PHE A 9 39.375 -4.148 4.249 1.00 0.00 N ATOM 102 CA PHE A 9 38.664 -5.268 4.856 1.00 0.00 C ATOM 103 C PHE A 9 37.219 -5.312 4.370 1.00 0.00 C ATOM 104 O PHE A 9 36.351 -5.595 5.179 1.00 0.00 O ATOM 105 CB PHE A 9 38.689 -5.138 6.381 1.00 0.00 C ATOM 106 CG PHE A 9 38.657 -6.513 7.004 1.00 0.00 C ATOM 107 CD1 PHE A 9 39.794 -7.328 6.959 1.00 0.00 C ATOM 108 CD2 PHE A 9 37.491 -6.972 7.627 1.00 0.00 C ATOM 109 CE1 PHE A 9 39.766 -8.602 7.539 1.00 0.00 C ATOM 110 CE2 PHE A 9 37.463 -8.247 8.207 1.00 0.00 C ATOM 111 CZ PHE A 9 38.600 -9.061 8.163 1.00 0.00 C ATOM 112 H PHE A 9 38.898 -3.309 4.080 1.00 0.00 H ATOM 113 HA PHE A 9 39.156 -6.188 4.578 1.00 0.00 H ATOM 114 HB2 PHE A 9 39.589 -4.625 6.683 1.00 0.00 H ATOM 115 HB3 PHE A 9 37.826 -4.575 6.708 1.00 0.00 H ATOM 116 HD1 PHE A 9 40.694 -6.973 6.477 1.00 0.00 H ATOM 117 HD2 PHE A 9 36.612 -6.345 7.659 1.00 0.00 H ATOM 118 HE1 PHE A 9 40.644 -9.229 7.505 1.00 0.00 H ATOM 119 HE2 PHE A 9 36.563 -8.601 8.688 1.00 0.00 H ATOM 120 HZ PHE A 9 38.579 -10.043 8.611 1.00 0.00 H TER 121 PHE A 9 ENDMDL MODEL 6 ATOM 1 N GLY A 1 27.873 3.807 5.010 1.00 0.00 N ATOM 2 CA GLY A 1 29.268 3.415 4.660 1.00 0.00 C ATOM 3 C GLY A 1 29.380 1.895 4.639 1.00 0.00 C ATOM 4 O GLY A 1 28.421 1.188 4.945 1.00 0.00 O ATOM 5 H1 GLY A 1 27.210 3.359 4.347 1.00 0.00 H ATOM 6 H2 GLY A 1 27.779 4.842 4.949 1.00 0.00 H ATOM 7 H3 GLY A 1 27.657 3.495 5.978 1.00 0.00 H ATOM 8 HA2 GLY A 1 29.518 3.810 3.685 1.00 0.00 H ATOM 9 HA3 GLY A 1 29.950 3.813 5.396 1.00 0.00 H ATOM 10 N VAL A 2 30.559 1.399 4.275 1.00 0.00 N ATOM 11 CA VAL A 2 30.784 -0.040 4.218 1.00 0.00 C ATOM 12 C VAL A 2 30.660 -0.659 5.607 1.00 0.00 C ATOM 13 O VAL A 2 30.055 -1.717 5.774 1.00 0.00 O ATOM 14 CB VAL A 2 32.176 -0.329 3.653 1.00 0.00 C ATOM 15 CG1 VAL A 2 32.514 -1.807 3.854 1.00 0.00 C ATOM 16 CG2 VAL A 2 32.197 -0.001 2.158 1.00 0.00 C ATOM 17 H VAL A 2 31.288 2.010 4.043 1.00 0.00 H ATOM 18 HA VAL A 2 30.046 -0.486 3.569 1.00 0.00 H ATOM 19 HB VAL A 2 32.906 0.281 4.168 1.00 0.00 H ATOM 20 HG11 VAL A 2 32.782 -1.977 4.887 1.00 0.00 H ATOM 21 HG12 VAL A 2 33.345 -2.076 3.218 1.00 0.00 H ATOM 22 HG13 VAL A 2 31.656 -2.409 3.601 1.00 0.00 H ATOM 23 HG21 VAL A 2 31.770 0.978 1.999 1.00 0.00 H ATOM 24 HG22 VAL A 2 31.617 -0.738 1.621 1.00 0.00 H ATOM 25 HG23 VAL A 2 33.215 -0.013 1.801 1.00 0.00 H ATOM 26 N ASN A 3 31.235 0.010 6.601 1.00 0.00 N ATOM 27 CA ASN A 3 31.181 -0.483 7.972 1.00 0.00 C ATOM 28 C ASN A 3 31.574 -1.956 8.028 1.00 0.00 C ATOM 29 O ASN A 3 30.732 -2.825 8.256 1.00 0.00 O ATOM 30 CB ASN A 3 29.770 -0.308 8.535 1.00 0.00 C ATOM 31 CG ASN A 3 29.799 -0.401 10.057 1.00 0.00 C ATOM 32 OD1 ASN A 3 30.860 -0.612 10.646 1.00 0.00 O ATOM 33 ND2 ASN A 3 28.692 -0.254 10.732 1.00 0.00 N ATOM 34 H ASN A 3 31.706 0.848 6.409 1.00 0.00 H ATOM 35 HA ASN A 3 31.870 0.088 8.577 1.00 0.00 H ATOM 36 HB2 ASN A 3 29.385 0.658 8.242 1.00 0.00 H ATOM 37 HB3 ASN A 3 29.129 -1.083 8.143 1.00 0.00 H ATOM 38 HD21 ASN A 3 27.850 -0.087 10.261 1.00 0.00 H ATOM 39 HD22 ASN A 3 28.704 -0.313 11.710 1.00 0.00 H ATOM 40 N ALA A 4 32.858 -2.229 7.820 1.00 0.00 N ATOM 41 CA ALA A 4 33.821 -1.166 7.554 1.00 0.00 C ATOM 42 C ALA A 4 35.038 -1.718 6.819 1.00 0.00 C ATOM 43 O ALA A 4 35.484 -2.835 7.086 1.00 0.00 O ATOM 44 CB ALA A 4 34.265 -0.523 8.869 1.00 0.00 C ATOM 45 H ALA A 4 33.163 -3.159 7.844 1.00 0.00 H ATOM 46 HA ALA A 4 33.352 -0.413 6.939 1.00 0.00 H ATOM 47 HB1 ALA A 4 34.156 0.549 8.800 1.00 0.00 H ATOM 48 HB2 ALA A 4 35.301 -0.768 9.058 1.00 0.00 H ATOM 49 HB3 ALA A 4 33.654 -0.897 9.677 1.00 0.00 H ATOM 50 N CYS A 5 35.573 -0.929 5.892 1.00 0.00 N ATOM 51 CA CYS A 5 36.740 -1.349 5.126 1.00 0.00 C ATOM 52 C CYS A 5 37.474 -0.135 4.558 1.00 0.00 C ATOM 53 O CYS A 5 36.857 0.756 3.973 1.00 0.00 O ATOM 54 CB CYS A 5 36.311 -2.280 3.990 1.00 0.00 C ATOM 55 SG CYS A 5 37.733 -3.254 3.438 1.00 0.00 S ATOM 56 H CYS A 5 35.175 -0.050 5.722 1.00 0.00 H ATOM 57 HA CYS A 5 37.414 -1.883 5.777 1.00 0.00 H ATOM 58 HB2 CYS A 5 35.534 -2.943 4.341 1.00 0.00 H ATOM 59 HB3 CYS A 5 35.935 -1.692 3.166 1.00 0.00 H ATOM 60 N SER A 6 38.790 -0.108 4.735 1.00 0.00 N ATOM 61 CA SER A 6 39.595 1.000 4.236 1.00 0.00 C ATOM 62 C SER A 6 41.047 0.569 4.053 1.00 0.00 C ATOM 63 O SER A 6 41.969 1.258 4.486 1.00 0.00 O ATOM 64 CB SER A 6 39.530 2.175 5.213 1.00 0.00 C ATOM 65 OG SER A 6 39.965 3.357 4.555 1.00 0.00 O ATOM 66 H SER A 6 39.228 -0.846 5.209 1.00 0.00 H ATOM 67 HA SER A 6 39.201 1.319 3.283 1.00 0.00 H ATOM 68 HB2 SER A 6 38.516 2.309 5.551 1.00 0.00 H ATOM 69 HB3 SER A 6 40.167 1.969 6.064 1.00 0.00 H ATOM 70 HG SER A 6 40.863 3.542 4.840 1.00 0.00 H ATOM 71 N SER A 7 41.241 -0.577 3.407 1.00 0.00 N ATOM 72 CA SER A 7 42.585 -1.091 3.173 1.00 0.00 C ATOM 73 C SER A 7 42.530 -2.542 2.707 1.00 0.00 C ATOM 74 O SER A 7 42.683 -2.830 1.520 1.00 0.00 O ATOM 75 CB SER A 7 43.412 -0.997 4.455 1.00 0.00 C ATOM 76 OG SER A 7 44.250 -2.140 4.560 1.00 0.00 O ATOM 77 H SER A 7 40.468 -1.084 3.084 1.00 0.00 H ATOM 78 HA SER A 7 43.060 -0.496 2.407 1.00 0.00 H ATOM 79 HB2 SER A 7 44.023 -0.110 4.428 1.00 0.00 H ATOM 80 HB3 SER A 7 42.747 -0.946 5.308 1.00 0.00 H ATOM 81 HG SER A 7 44.670 -2.123 5.422 1.00 0.00 H ATOM 82 N LEU A 8 42.309 -3.454 3.650 1.00 0.00 N ATOM 83 CA LEU A 8 42.237 -4.873 3.324 1.00 0.00 C ATOM 84 C LEU A 8 41.097 -5.540 4.088 1.00 0.00 C ATOM 85 O LEU A 8 41.202 -6.698 4.492 1.00 0.00 O ATOM 86 CB LEU A 8 43.559 -5.557 3.676 1.00 0.00 C ATOM 87 CG LEU A 8 44.612 -5.205 2.624 1.00 0.00 C ATOM 88 CD1 LEU A 8 45.993 -5.156 3.280 1.00 0.00 C ATOM 89 CD2 LEU A 8 44.609 -6.269 1.524 1.00 0.00 C ATOM 90 H LEU A 8 42.194 -3.166 4.580 1.00 0.00 H ATOM 91 HA LEU A 8 42.060 -4.981 2.265 1.00 0.00 H ATOM 92 HB2 LEU A 8 43.891 -5.220 4.647 1.00 0.00 H ATOM 93 HB3 LEU A 8 43.417 -6.628 3.695 1.00 0.00 H ATOM 94 HG LEU A 8 44.383 -4.240 2.195 1.00 0.00 H ATOM 95 HD11 LEU A 8 46.755 -5.154 2.515 1.00 0.00 H ATOM 96 HD12 LEU A 8 46.122 -6.022 3.913 1.00 0.00 H ATOM 97 HD13 LEU A 8 46.078 -4.259 3.875 1.00 0.00 H ATOM 98 HD21 LEU A 8 45.107 -7.158 1.882 1.00 0.00 H ATOM 99 HD22 LEU A 8 45.127 -5.892 0.656 1.00 0.00 H ATOM 100 HD23 LEU A 8 43.590 -6.510 1.259 1.00 0.00 H ATOM 101 N PHE A 9 40.009 -4.802 4.282 1.00 0.00 N ATOM 102 CA PHE A 9 38.855 -5.333 4.998 1.00 0.00 C ATOM 103 C PHE A 9 37.561 -4.758 4.430 1.00 0.00 C ATOM 104 O PHE A 9 36.520 -4.998 5.019 1.00 0.00 O ATOM 105 CB PHE A 9 38.959 -4.989 6.484 1.00 0.00 C ATOM 106 CG PHE A 9 40.006 -5.864 7.131 1.00 0.00 C ATOM 107 CD1 PHE A 9 39.678 -7.162 7.540 1.00 0.00 C ATOM 108 CD2 PHE A 9 41.305 -5.378 7.321 1.00 0.00 C ATOM 109 CE1 PHE A 9 40.649 -7.974 8.139 1.00 0.00 C ATOM 110 CE2 PHE A 9 42.276 -6.189 7.921 1.00 0.00 C ATOM 111 CZ PHE A 9 41.948 -7.487 8.330 1.00 0.00 C ATOM 112 H PHE A 9 39.983 -3.885 3.937 1.00 0.00 H ATOM 113 HA PHE A 9 38.839 -6.407 4.888 1.00 0.00 H ATOM 114 HB2 PHE A 9 39.238 -3.952 6.595 1.00 0.00 H ATOM 115 HB3 PHE A 9 38.005 -5.159 6.961 1.00 0.00 H ATOM 116 HD1 PHE A 9 38.677 -7.538 7.393 1.00 0.00 H ATOM 117 HD2 PHE A 9 41.558 -4.377 7.003 1.00 0.00 H ATOM 118 HE1 PHE A 9 40.397 -8.976 8.454 1.00 0.00 H ATOM 119 HE2 PHE A 9 43.278 -5.813 8.067 1.00 0.00 H ATOM 120 HZ PHE A 9 42.697 -8.112 8.793 1.00 0.00 H TER 121 PHE A 9 ENDMDL MODEL 7 ATOM 1 N GLY A 1 30.533 4.616 3.211 1.00 0.00 N ATOM 2 CA GLY A 1 29.331 3.946 3.785 1.00 0.00 C ATOM 3 C GLY A 1 29.590 2.448 3.905 1.00 0.00 C ATOM 4 O GLY A 1 28.913 1.640 3.272 1.00 0.00 O ATOM 5 H1 GLY A 1 31.340 3.962 3.238 1.00 0.00 H ATOM 6 H2 GLY A 1 30.756 5.465 3.771 1.00 0.00 H ATOM 7 H3 GLY A 1 30.341 4.888 2.227 1.00 0.00 H ATOM 8 HA2 GLY A 1 29.124 4.357 4.763 1.00 0.00 H ATOM 9 HA3 GLY A 1 28.484 4.111 3.138 1.00 0.00 H ATOM 10 N VAL A 2 30.575 2.087 4.721 1.00 0.00 N ATOM 11 CA VAL A 2 30.915 0.683 4.916 1.00 0.00 C ATOM 12 C VAL A 2 30.948 0.340 6.402 1.00 0.00 C ATOM 13 O VAL A 2 31.098 1.222 7.249 1.00 0.00 O ATOM 14 CB VAL A 2 32.279 0.385 4.292 1.00 0.00 C ATOM 15 CG1 VAL A 2 32.384 -1.110 3.983 1.00 0.00 C ATOM 16 CG2 VAL A 2 32.430 1.183 2.995 1.00 0.00 C ATOM 17 H VAL A 2 31.081 2.776 5.200 1.00 0.00 H ATOM 18 HA VAL A 2 30.169 0.071 4.432 1.00 0.00 H ATOM 19 HB VAL A 2 33.060 0.664 4.984 1.00 0.00 H ATOM 20 HG11 VAL A 2 33.336 -1.316 3.516 1.00 0.00 H ATOM 21 HG12 VAL A 2 31.586 -1.396 3.314 1.00 0.00 H ATOM 22 HG13 VAL A 2 32.303 -1.674 4.900 1.00 0.00 H ATOM 23 HG21 VAL A 2 32.550 2.230 3.229 1.00 0.00 H ATOM 24 HG22 VAL A 2 31.549 1.050 2.385 1.00 0.00 H ATOM 25 HG23 VAL A 2 33.298 0.833 2.456 1.00 0.00 H ATOM 26 N ASN A 3 30.809 -0.944 6.712 1.00 0.00 N ATOM 27 CA ASN A 3 30.822 -1.391 8.100 1.00 0.00 C ATOM 28 C ASN A 3 31.352 -2.818 8.199 1.00 0.00 C ATOM 29 O ASN A 3 30.594 -3.757 8.440 1.00 0.00 O ATOM 30 CB ASN A 3 29.409 -1.329 8.683 1.00 0.00 C ATOM 31 CG ASN A 3 29.468 -1.395 10.205 1.00 0.00 C ATOM 32 OD1 ASN A 3 30.039 -0.511 10.844 1.00 0.00 O ATOM 33 ND2 ASN A 3 28.909 -2.395 10.828 1.00 0.00 N ATOM 34 H ASN A 3 30.695 -1.602 5.996 1.00 0.00 H ATOM 35 HA ASN A 3 31.464 -0.739 8.673 1.00 0.00 H ATOM 36 HB2 ASN A 3 28.938 -0.403 8.381 1.00 0.00 H ATOM 37 HB3 ASN A 3 28.830 -2.162 8.311 1.00 0.00 H ATOM 38 HD21 ASN A 3 28.454 -3.098 10.317 1.00 0.00 H ATOM 39 HD22 ASN A 3 28.943 -2.445 11.805 1.00 0.00 H ATOM 40 N ALA A 4 32.658 -2.973 8.011 1.00 0.00 N ATOM 41 CA ALA A 4 33.520 -1.831 7.729 1.00 0.00 C ATOM 42 C ALA A 4 34.791 -2.282 7.015 1.00 0.00 C ATOM 43 O ALA A 4 35.337 -3.344 7.313 1.00 0.00 O ATOM 44 CB ALA A 4 33.889 -1.119 9.031 1.00 0.00 C ATOM 45 H ALA A 4 33.050 -3.869 8.064 1.00 0.00 H ATOM 46 HA ALA A 4 32.988 -1.139 7.091 1.00 0.00 H ATOM 47 HB1 ALA A 4 33.296 -1.519 9.840 1.00 0.00 H ATOM 48 HB2 ALA A 4 33.693 -0.061 8.931 1.00 0.00 H ATOM 49 HB3 ALA A 4 34.937 -1.272 9.241 1.00 0.00 H ATOM 50 N CYS A 5 35.256 -1.468 6.074 1.00 0.00 N ATOM 51 CA CYS A 5 36.464 -1.794 5.325 1.00 0.00 C ATOM 52 C CYS A 5 37.070 -0.538 4.705 1.00 0.00 C ATOM 53 O CYS A 5 36.355 0.310 4.170 1.00 0.00 O ATOM 54 CB CYS A 5 36.142 -2.809 4.228 1.00 0.00 C ATOM 55 SG CYS A 5 37.674 -3.583 3.652 1.00 0.00 S ATOM 56 H CYS A 5 34.779 -0.634 5.879 1.00 0.00 H ATOM 57 HA CYS A 5 37.188 -2.227 5.999 1.00 0.00 H ATOM 58 HB2 CYS A 5 35.481 -3.567 4.623 1.00 0.00 H ATOM 59 HB3 CYS A 5 35.660 -2.306 3.403 1.00 0.00 H ATOM 60 N SER A 6 38.393 -0.429 4.777 1.00 0.00 N ATOM 61 CA SER A 6 39.086 0.725 4.215 1.00 0.00 C ATOM 62 C SER A 6 40.338 0.286 3.465 1.00 0.00 C ATOM 63 O SER A 6 40.403 0.377 2.240 1.00 0.00 O ATOM 64 CB SER A 6 39.470 1.696 5.332 1.00 0.00 C ATOM 65 OG SER A 6 39.765 2.968 4.768 1.00 0.00 O ATOM 66 H SER A 6 38.912 -1.135 5.215 1.00 0.00 H ATOM 67 HA SER A 6 38.424 1.231 3.528 1.00 0.00 H ATOM 68 HB2 SER A 6 38.651 1.797 6.024 1.00 0.00 H ATOM 69 HB3 SER A 6 40.337 1.315 5.857 1.00 0.00 H ATOM 70 HG SER A 6 39.331 3.020 3.913 1.00 0.00 H ATOM 71 N SER A 7 41.332 -0.189 4.210 1.00 0.00 N ATOM 72 CA SER A 7 42.578 -0.642 3.604 1.00 0.00 C ATOM 73 C SER A 7 42.348 -1.905 2.782 1.00 0.00 C ATOM 74 O SER A 7 42.173 -1.842 1.565 1.00 0.00 O ATOM 75 CB SER A 7 43.616 -0.920 4.691 1.00 0.00 C ATOM 76 OG SER A 7 43.142 -1.960 5.537 1.00 0.00 O ATOM 77 H SER A 7 41.224 -0.237 5.182 1.00 0.00 H ATOM 78 HA SER A 7 42.954 0.135 2.954 1.00 0.00 H ATOM 79 HB2 SER A 7 44.543 -1.228 4.236 1.00 0.00 H ATOM 80 HB3 SER A 7 43.782 -0.019 5.268 1.00 0.00 H ATOM 81 HG SER A 7 43.359 -1.727 6.443 1.00 0.00 H ATOM 82 N LEU A 8 42.348 -3.052 3.455 1.00 0.00 N ATOM 83 CA LEU A 8 42.143 -4.325 2.775 1.00 0.00 C ATOM 84 C LEU A 8 41.237 -5.233 3.602 1.00 0.00 C ATOM 85 O LEU A 8 41.436 -6.446 3.649 1.00 0.00 O ATOM 86 CB LEU A 8 43.487 -5.017 2.544 1.00 0.00 C ATOM 87 CG LEU A 8 44.209 -4.351 1.371 1.00 0.00 C ATOM 88 CD1 LEU A 8 45.721 -4.417 1.596 1.00 0.00 C ATOM 89 CD2 LEU A 8 43.855 -5.084 0.074 1.00 0.00 C ATOM 90 H LEU A 8 42.491 -3.040 4.424 1.00 0.00 H ATOM 91 HA LEU A 8 41.677 -4.141 1.820 1.00 0.00 H ATOM 92 HB2 LEU A 8 44.093 -4.933 3.435 1.00 0.00 H ATOM 93 HB3 LEU A 8 43.322 -6.059 2.317 1.00 0.00 H ATOM 94 HG LEU A 8 43.900 -3.318 1.298 1.00 0.00 H ATOM 95 HD11 LEU A 8 46.233 -4.140 0.688 1.00 0.00 H ATOM 96 HD12 LEU A 8 46.000 -5.423 1.875 1.00 0.00 H ATOM 97 HD13 LEU A 8 45.996 -3.735 2.388 1.00 0.00 H ATOM 98 HD21 LEU A 8 44.407 -6.011 0.023 1.00 0.00 H ATOM 99 HD22 LEU A 8 44.113 -4.464 -0.771 1.00 0.00 H ATOM 100 HD23 LEU A 8 42.796 -5.294 0.058 1.00 0.00 H ATOM 101 N PHE A 9 40.243 -4.636 4.250 1.00 0.00 N ATOM 102 CA PHE A 9 39.313 -5.400 5.074 1.00 0.00 C ATOM 103 C PHE A 9 37.881 -4.931 4.841 1.00 0.00 C ATOM 104 O PHE A 9 37.070 -5.099 5.738 1.00 0.00 O ATOM 105 CB PHE A 9 39.671 -5.240 6.553 1.00 0.00 C ATOM 106 CG PHE A 9 40.926 -6.022 6.855 1.00 0.00 C ATOM 107 CD1 PHE A 9 42.179 -5.411 6.728 1.00 0.00 C ATOM 108 CD2 PHE A 9 40.836 -7.357 7.268 1.00 0.00 C ATOM 109 CE1 PHE A 9 43.343 -6.135 7.015 1.00 0.00 C ATOM 110 CE2 PHE A 9 42.000 -8.081 7.553 1.00 0.00 C ATOM 111 CZ PHE A 9 43.253 -7.470 7.428 1.00 0.00 C ATOM 112 H PHE A 9 40.132 -3.665 4.174 1.00 0.00 H ATOM 113 HA PHE A 9 39.387 -6.445 4.809 1.00 0.00 H ATOM 114 HB2 PHE A 9 39.836 -4.195 6.772 1.00 0.00 H ATOM 115 HB3 PHE A 9 38.860 -5.611 7.162 1.00 0.00 H ATOM 116 HD1 PHE A 9 42.249 -4.383 6.408 1.00 0.00 H ATOM 117 HD2 PHE A 9 39.870 -7.829 7.363 1.00 0.00 H ATOM 118 HE1 PHE A 9 44.310 -5.664 6.917 1.00 0.00 H ATOM 119 HE2 PHE A 9 41.931 -9.111 7.871 1.00 0.00 H ATOM 120 HZ PHE A 9 44.151 -8.028 7.649 1.00 0.00 H TER 121 PHE A 9 ENDMDL MODEL 8 ATOM 1 N GLY A 1 32.611 0.381 1.519 1.00 0.00 N ATOM 2 CA GLY A 1 32.770 1.769 2.038 1.00 0.00 C ATOM 3 C GLY A 1 32.932 1.731 3.553 1.00 0.00 C ATOM 4 O GLY A 1 34.021 1.964 4.077 1.00 0.00 O ATOM 5 H1 GLY A 1 31.805 0.345 0.864 1.00 0.00 H ATOM 6 H2 GLY A 1 32.442 -0.269 2.314 1.00 0.00 H ATOM 7 H3 GLY A 1 33.476 0.097 1.017 1.00 0.00 H ATOM 8 HA2 GLY A 1 33.644 2.221 1.591 1.00 0.00 H ATOM 9 HA3 GLY A 1 31.896 2.349 1.786 1.00 0.00 H ATOM 10 N VAL A 2 31.841 1.437 4.252 1.00 0.00 N ATOM 11 CA VAL A 2 31.873 1.371 5.710 1.00 0.00 C ATOM 12 C VAL A 2 31.167 0.114 6.205 1.00 0.00 C ATOM 13 O VAL A 2 30.460 -0.552 5.449 1.00 0.00 O ATOM 14 CB VAL A 2 31.194 2.607 6.302 1.00 0.00 C ATOM 15 CG1 VAL A 2 32.050 3.843 6.021 1.00 0.00 C ATOM 16 CG2 VAL A 2 29.816 2.786 5.664 1.00 0.00 C ATOM 17 H VAL A 2 30.999 1.260 3.781 1.00 0.00 H ATOM 18 HA VAL A 2 32.901 1.348 6.036 1.00 0.00 H ATOM 19 HB VAL A 2 31.086 2.480 7.370 1.00 0.00 H ATOM 20 HG11 VAL A 2 31.635 4.694 6.543 1.00 0.00 H ATOM 21 HG12 VAL A 2 32.058 4.042 4.960 1.00 0.00 H ATOM 22 HG13 VAL A 2 33.059 3.669 6.363 1.00 0.00 H ATOM 23 HG21 VAL A 2 29.232 3.474 6.258 1.00 0.00 H ATOM 24 HG22 VAL A 2 29.312 1.832 5.621 1.00 0.00 H ATOM 25 HG23 VAL A 2 29.929 3.179 4.665 1.00 0.00 H ATOM 26 N ASN A 3 31.364 -0.206 7.480 1.00 0.00 N ATOM 27 CA ASN A 3 30.741 -1.388 8.066 1.00 0.00 C ATOM 28 C ASN A 3 30.958 -2.606 7.173 1.00 0.00 C ATOM 29 O ASN A 3 30.024 -3.095 6.537 1.00 0.00 O ATOM 30 CB ASN A 3 29.241 -1.149 8.252 1.00 0.00 C ATOM 31 CG ASN A 3 28.657 -2.210 9.180 1.00 0.00 C ATOM 32 OD1 ASN A 3 27.971 -3.124 8.725 1.00 0.00 O ATOM 33 ND2 ASN A 3 28.890 -2.140 10.463 1.00 0.00 N ATOM 34 H ASN A 3 31.936 0.362 8.036 1.00 0.00 H ATOM 35 HA ASN A 3 31.187 -1.577 9.030 1.00 0.00 H ATOM 36 HB2 ASN A 3 29.085 -0.172 8.682 1.00 0.00 H ATOM 37 HB3 ASN A 3 28.748 -1.205 7.293 1.00 0.00 H ATOM 38 HD21 ASN A 3 29.438 -1.412 10.823 1.00 0.00 H ATOM 39 HD22 ASN A 3 28.518 -2.817 11.065 1.00 0.00 H ATOM 40 N ALA A 4 32.195 -3.090 7.131 1.00 0.00 N ATOM 41 CA ALA A 4 33.270 -2.478 7.904 1.00 0.00 C ATOM 42 C ALA A 4 34.627 -2.820 7.298 1.00 0.00 C ATOM 43 O ALA A 4 35.170 -3.900 7.535 1.00 0.00 O ATOM 44 CB ALA A 4 33.218 -2.971 9.352 1.00 0.00 C ATOM 45 H ALA A 4 32.388 -3.871 6.572 1.00 0.00 H ATOM 46 HA ALA A 4 33.142 -1.407 7.896 1.00 0.00 H ATOM 47 HB1 ALA A 4 32.312 -3.540 9.506 1.00 0.00 H ATOM 48 HB2 ALA A 4 33.229 -2.124 10.021 1.00 0.00 H ATOM 49 HB3 ALA A 4 34.075 -3.598 9.549 1.00 0.00 H ATOM 50 N CYS A 5 35.169 -1.894 6.513 1.00 0.00 N ATOM 51 CA CYS A 5 36.463 -2.109 5.877 1.00 0.00 C ATOM 52 C CYS A 5 37.016 -0.782 5.351 1.00 0.00 C ATOM 53 O CYS A 5 36.588 -0.294 4.304 1.00 0.00 O ATOM 54 CB CYS A 5 36.323 -3.115 4.734 1.00 0.00 C ATOM 55 SG CYS A 5 36.511 -4.794 5.382 1.00 0.00 S ATOM 56 H CYS A 5 34.690 -1.053 6.360 1.00 0.00 H ATOM 57 HA CYS A 5 37.152 -2.505 6.608 1.00 0.00 H ATOM 58 HB2 CYS A 5 35.349 -3.011 4.279 1.00 0.00 H ATOM 59 HB3 CYS A 5 37.087 -2.927 3.994 1.00 0.00 H ATOM 60 N SER A 6 37.965 -0.207 6.082 1.00 0.00 N ATOM 61 CA SER A 6 38.565 1.060 5.679 1.00 0.00 C ATOM 62 C SER A 6 39.569 0.842 4.551 1.00 0.00 C ATOM 63 O SER A 6 39.259 1.064 3.380 1.00 0.00 O ATOM 64 CB SER A 6 39.267 1.707 6.871 1.00 0.00 C ATOM 65 OG SER A 6 38.296 2.105 7.830 1.00 0.00 O ATOM 66 H SER A 6 38.267 -0.642 6.907 1.00 0.00 H ATOM 67 HA SER A 6 37.785 1.722 5.332 1.00 0.00 H ATOM 68 HB2 SER A 6 39.942 0.999 7.324 1.00 0.00 H ATOM 69 HB3 SER A 6 39.828 2.569 6.533 1.00 0.00 H ATOM 70 HG SER A 6 38.392 1.543 8.602 1.00 0.00 H ATOM 71 N SER A 7 40.771 0.408 4.912 1.00 0.00 N ATOM 72 CA SER A 7 41.814 0.167 3.921 1.00 0.00 C ATOM 73 C SER A 7 41.273 -0.669 2.766 1.00 0.00 C ATOM 74 O SER A 7 41.517 -0.363 1.599 1.00 0.00 O ATOM 75 CB SER A 7 42.993 -0.558 4.571 1.00 0.00 C ATOM 76 OG SER A 7 42.588 -1.866 4.951 1.00 0.00 O ATOM 77 H SER A 7 40.961 0.247 5.860 1.00 0.00 H ATOM 78 HA SER A 7 42.159 1.115 3.537 1.00 0.00 H ATOM 79 HB2 SER A 7 43.806 -0.629 3.868 1.00 0.00 H ATOM 80 HB3 SER A 7 43.320 -0.005 5.441 1.00 0.00 H ATOM 81 HG SER A 7 43.315 -2.277 5.425 1.00 0.00 H ATOM 82 N LEU A 8 40.540 -1.725 3.100 1.00 0.00 N ATOM 83 CA LEU A 8 39.974 -2.603 2.081 1.00 0.00 C ATOM 84 C LEU A 8 39.208 -3.752 2.729 1.00 0.00 C ATOM 85 O LEU A 8 38.131 -4.130 2.269 1.00 0.00 O ATOM 86 CB LEU A 8 41.089 -3.164 1.196 1.00 0.00 C ATOM 87 CG LEU A 8 42.116 -3.888 2.068 1.00 0.00 C ATOM 88 CD1 LEU A 8 41.915 -5.399 1.948 1.00 0.00 C ATOM 89 CD2 LEU A 8 43.527 -3.523 1.600 1.00 0.00 C ATOM 90 H LEU A 8 40.377 -1.919 4.047 1.00 0.00 H ATOM 91 HA LEU A 8 39.294 -2.032 1.466 1.00 0.00 H ATOM 92 HB2 LEU A 8 40.667 -3.858 0.484 1.00 0.00 H ATOM 93 HB3 LEU A 8 41.572 -2.356 0.670 1.00 0.00 H ATOM 94 HG LEU A 8 41.989 -3.588 3.098 1.00 0.00 H ATOM 95 HD11 LEU A 8 40.884 -5.642 2.155 1.00 0.00 H ATOM 96 HD12 LEU A 8 42.555 -5.905 2.656 1.00 0.00 H ATOM 97 HD13 LEU A 8 42.165 -5.717 0.947 1.00 0.00 H ATOM 98 HD21 LEU A 8 43.691 -2.465 1.739 1.00 0.00 H ATOM 99 HD22 LEU A 8 43.634 -3.768 0.553 1.00 0.00 H ATOM 100 HD23 LEU A 8 44.253 -4.079 2.174 1.00 0.00 H ATOM 101 N PHE A 9 39.772 -4.304 3.799 1.00 0.00 N ATOM 102 CA PHE A 9 39.132 -5.407 4.504 1.00 0.00 C ATOM 103 C PHE A 9 38.296 -4.886 5.669 1.00 0.00 C ATOM 104 O PHE A 9 38.835 -4.144 6.474 1.00 0.00 O ATOM 105 CB PHE A 9 40.192 -6.377 5.028 1.00 0.00 C ATOM 106 CG PHE A 9 39.624 -7.777 5.059 1.00 0.00 C ATOM 107 CD1 PHE A 9 39.400 -8.467 3.861 1.00 0.00 C ATOM 108 CD2 PHE A 9 39.323 -8.384 6.284 1.00 0.00 C ATOM 109 CE1 PHE A 9 38.875 -9.765 3.889 1.00 0.00 C ATOM 110 CE2 PHE A 9 38.798 -9.681 6.312 1.00 0.00 C ATOM 111 CZ PHE A 9 38.574 -10.372 5.114 1.00 0.00 C ATOM 112 H PHE A 9 40.634 -3.963 4.118 1.00 0.00 H ATOM 113 HA PHE A 9 38.486 -5.934 3.818 1.00 0.00 H ATOM 114 HB2 PHE A 9 41.055 -6.354 4.379 1.00 0.00 H ATOM 115 HB3 PHE A 9 40.484 -6.087 6.026 1.00 0.00 H ATOM 116 HD1 PHE A 9 39.631 -7.999 2.916 1.00 0.00 H ATOM 117 HD2 PHE A 9 39.493 -7.849 7.207 1.00 0.00 H ATOM 118 HE1 PHE A 9 38.703 -10.297 2.966 1.00 0.00 H ATOM 119 HE2 PHE A 9 38.565 -10.149 7.257 1.00 0.00 H ATOM 120 HZ PHE A 9 38.170 -11.373 5.137 1.00 0.00 H TER 121 PHE A 9 ENDMDL MODEL 9 ATOM 1 N GLY A 1 32.767 0.397 1.497 1.00 0.00 N ATOM 2 CA GLY A 1 32.805 1.806 1.982 1.00 0.00 C ATOM 3 C GLY A 1 32.538 1.836 3.483 1.00 0.00 C ATOM 4 O GLY A 1 33.181 2.581 4.222 1.00 0.00 O ATOM 5 H1 GLY A 1 33.263 0.331 0.585 1.00 0.00 H ATOM 6 H2 GLY A 1 31.778 0.099 1.377 1.00 0.00 H ATOM 7 H3 GLY A 1 33.237 -0.220 2.188 1.00 0.00 H ATOM 8 HA2 GLY A 1 33.778 2.230 1.779 1.00 0.00 H ATOM 9 HA3 GLY A 1 32.047 2.383 1.473 1.00 0.00 H ATOM 10 N VAL A 2 31.587 1.021 3.926 1.00 0.00 N ATOM 11 CA VAL A 2 31.243 0.961 5.341 1.00 0.00 C ATOM 12 C VAL A 2 31.137 -0.487 5.807 1.00 0.00 C ATOM 13 O VAL A 2 31.090 -1.409 4.993 1.00 0.00 O ATOM 14 CB VAL A 2 29.914 1.677 5.586 1.00 0.00 C ATOM 15 CG1 VAL A 2 30.092 3.179 5.365 1.00 0.00 C ATOM 16 CG2 VAL A 2 28.861 1.141 4.613 1.00 0.00 C ATOM 17 H VAL A 2 31.107 0.449 3.289 1.00 0.00 H ATOM 18 HA VAL A 2 32.016 1.457 5.910 1.00 0.00 H ATOM 19 HB VAL A 2 29.592 1.499 6.603 1.00 0.00 H ATOM 20 HG11 VAL A 2 30.920 3.535 5.960 1.00 0.00 H ATOM 21 HG12 VAL A 2 29.191 3.697 5.657 1.00 0.00 H ATOM 22 HG13 VAL A 2 30.294 3.368 4.320 1.00 0.00 H ATOM 23 HG21 VAL A 2 29.040 1.548 3.630 1.00 0.00 H ATOM 24 HG22 VAL A 2 27.878 1.432 4.951 1.00 0.00 H ATOM 25 HG23 VAL A 2 28.924 0.064 4.573 1.00 0.00 H ATOM 26 N ASN A 3 31.101 -0.679 7.122 1.00 0.00 N ATOM 27 CA ASN A 3 31.003 -2.021 7.685 1.00 0.00 C ATOM 28 C ASN A 3 32.030 -2.948 7.042 1.00 0.00 C ATOM 29 O ASN A 3 31.678 -3.835 6.265 1.00 0.00 O ATOM 30 CB ASN A 3 29.597 -2.579 7.461 1.00 0.00 C ATOM 31 CG ASN A 3 29.346 -3.755 8.400 1.00 0.00 C ATOM 32 OD1 ASN A 3 30.225 -4.127 9.177 1.00 0.00 O ATOM 33 ND2 ASN A 3 28.193 -4.364 8.374 1.00 0.00 N ATOM 34 H ASN A 3 31.143 0.093 7.723 1.00 0.00 H ATOM 35 HA ASN A 3 31.192 -1.971 8.746 1.00 0.00 H ATOM 36 HB2 ASN A 3 28.869 -1.805 7.654 1.00 0.00 H ATOM 37 HB3 ASN A 3 29.502 -2.912 6.438 1.00 0.00 H ATOM 38 HD21 ASN A 3 27.494 -4.066 7.754 1.00 0.00 H ATOM 39 HD22 ASN A 3 28.025 -5.120 8.974 1.00 0.00 H ATOM 40 N ALA A 4 33.299 -2.738 7.373 1.00 0.00 N ATOM 41 CA ALA A 4 33.670 -1.675 8.300 1.00 0.00 C ATOM 42 C ALA A 4 35.128 -1.272 8.098 1.00 0.00 C ATOM 43 O ALA A 4 35.768 -0.747 9.009 1.00 0.00 O ATOM 44 CB ALA A 4 33.463 -2.144 9.742 1.00 0.00 C ATOM 45 H ALA A 4 33.998 -3.306 6.987 1.00 0.00 H ATOM 46 HA ALA A 4 33.041 -0.817 8.119 1.00 0.00 H ATOM 47 HB1 ALA A 4 32.874 -1.414 10.277 1.00 0.00 H ATOM 48 HB2 ALA A 4 34.423 -2.256 10.225 1.00 0.00 H ATOM 49 HB3 ALA A 4 32.947 -3.093 9.741 1.00 0.00 H ATOM 50 N CYS A 5 35.644 -1.522 6.900 1.00 0.00 N ATOM 51 CA CYS A 5 37.028 -1.181 6.589 1.00 0.00 C ATOM 52 C CYS A 5 37.159 -0.743 5.135 1.00 0.00 C ATOM 53 O CYS A 5 37.278 -1.573 4.234 1.00 0.00 O ATOM 54 CB CYS A 5 37.933 -2.388 6.846 1.00 0.00 C ATOM 55 SG CYS A 5 37.207 -3.860 6.083 1.00 0.00 S ATOM 56 H CYS A 5 35.086 -1.942 6.213 1.00 0.00 H ATOM 57 HA CYS A 5 37.340 -0.369 7.229 1.00 0.00 H ATOM 58 HB2 CYS A 5 38.908 -2.204 6.418 1.00 0.00 H ATOM 59 HB3 CYS A 5 38.031 -2.545 7.910 1.00 0.00 H ATOM 60 N SER A 6 37.133 0.567 4.913 1.00 0.00 N ATOM 61 CA SER A 6 37.250 1.106 3.562 1.00 0.00 C ATOM 62 C SER A 6 38.569 0.677 2.926 1.00 0.00 C ATOM 63 O SER A 6 38.638 0.439 1.720 1.00 0.00 O ATOM 64 CB SER A 6 37.173 2.632 3.601 1.00 0.00 C ATOM 65 OG SER A 6 35.932 3.025 4.170 1.00 0.00 O ATOM 66 H SER A 6 37.036 1.182 5.669 1.00 0.00 H ATOM 67 HA SER A 6 36.434 0.730 2.964 1.00 0.00 H ATOM 68 HB2 SER A 6 37.977 3.020 4.202 1.00 0.00 H ATOM 69 HB3 SER A 6 37.258 3.020 2.594 1.00 0.00 H ATOM 70 HG SER A 6 35.927 2.749 5.090 1.00 0.00 H ATOM 71 N SER A 7 39.611 0.579 3.745 1.00 0.00 N ATOM 72 CA SER A 7 40.924 0.180 3.250 1.00 0.00 C ATOM 73 C SER A 7 40.853 -1.195 2.593 1.00 0.00 C ATOM 74 O SER A 7 40.848 -1.308 1.367 1.00 0.00 O ATOM 75 CB SER A 7 41.927 0.146 4.402 1.00 0.00 C ATOM 76 OG SER A 7 41.560 -0.881 5.314 1.00 0.00 O ATOM 77 H SER A 7 39.495 0.779 4.697 1.00 0.00 H ATOM 78 HA SER A 7 41.257 0.901 2.519 1.00 0.00 H ATOM 79 HB2 SER A 7 42.913 -0.058 4.018 1.00 0.00 H ATOM 80 HB3 SER A 7 41.929 1.104 4.904 1.00 0.00 H ATOM 81 HG SER A 7 41.107 -0.471 6.055 1.00 0.00 H ATOM 82 N LEU A 8 40.798 -2.237 3.416 1.00 0.00 N ATOM 83 CA LEU A 8 40.731 -3.600 2.903 1.00 0.00 C ATOM 84 C LEU A 8 40.688 -4.603 4.053 1.00 0.00 C ATOM 85 O LEU A 8 41.442 -5.576 4.067 1.00 0.00 O ATOM 86 CB LEU A 8 41.946 -3.886 2.018 1.00 0.00 C ATOM 87 CG LEU A 8 43.218 -3.433 2.735 1.00 0.00 C ATOM 88 CD1 LEU A 8 44.144 -4.633 2.940 1.00 0.00 C ATOM 89 CD2 LEU A 8 43.932 -2.378 1.886 1.00 0.00 C ATOM 90 H LEU A 8 40.804 -2.086 4.385 1.00 0.00 H ATOM 91 HA LEU A 8 39.835 -3.707 2.311 1.00 0.00 H ATOM 92 HB2 LEU A 8 42.002 -4.946 1.817 1.00 0.00 H ATOM 93 HB3 LEU A 8 41.847 -3.348 1.088 1.00 0.00 H ATOM 94 HG LEU A 8 42.959 -3.010 3.695 1.00 0.00 H ATOM 95 HD11 LEU A 8 45.081 -4.297 3.358 1.00 0.00 H ATOM 96 HD12 LEU A 8 44.326 -5.114 1.990 1.00 0.00 H ATOM 97 HD13 LEU A 8 43.679 -5.336 3.616 1.00 0.00 H ATOM 98 HD21 LEU A 8 44.270 -2.828 0.964 1.00 0.00 H ATOM 99 HD22 LEU A 8 44.780 -1.992 2.430 1.00 0.00 H ATOM 100 HD23 LEU A 8 43.248 -1.572 1.664 1.00 0.00 H ATOM 101 N PHE A 9 39.804 -4.358 5.013 1.00 0.00 N ATOM 102 CA PHE A 9 39.674 -5.246 6.162 1.00 0.00 C ATOM 103 C PHE A 9 38.262 -5.177 6.736 1.00 0.00 C ATOM 104 O PHE A 9 38.075 -5.625 7.855 1.00 0.00 O ATOM 105 CB PHE A 9 40.684 -4.853 7.242 1.00 0.00 C ATOM 106 CG PHE A 9 41.260 -6.101 7.869 1.00 0.00 C ATOM 107 CD1 PHE A 9 42.409 -6.689 7.328 1.00 0.00 C ATOM 108 CD2 PHE A 9 40.642 -6.671 8.988 1.00 0.00 C ATOM 109 CE1 PHE A 9 42.942 -7.847 7.908 1.00 0.00 C ATOM 110 CE2 PHE A 9 41.176 -7.828 9.569 1.00 0.00 C ATOM 111 CZ PHE A 9 42.326 -8.415 9.028 1.00 0.00 C ATOM 112 H PHE A 9 39.229 -3.567 4.948 1.00 0.00 H ATOM 113 HA PHE A 9 39.875 -6.259 5.849 1.00 0.00 H ATOM 114 HB2 PHE A 9 41.479 -4.273 6.798 1.00 0.00 H ATOM 115 HB3 PHE A 9 40.190 -4.266 8.001 1.00 0.00 H ATOM 116 HD1 PHE A 9 42.882 -6.252 6.460 1.00 0.00 H ATOM 117 HD2 PHE A 9 39.755 -6.218 9.405 1.00 0.00 H ATOM 118 HE1 PHE A 9 43.830 -8.300 7.490 1.00 0.00 H ATOM 119 HE2 PHE A 9 40.700 -8.268 10.432 1.00 0.00 H ATOM 120 HZ PHE A 9 42.738 -9.308 9.475 1.00 0.00 H TER 121 PHE A 9 ENDMDL MODEL 10 ATOM 1 N GLY A 1 32.299 4.438 3.359 1.00 0.00 N ATOM 2 CA GLY A 1 33.356 3.485 3.803 1.00 0.00 C ATOM 3 C GLY A 1 32.976 2.899 5.158 1.00 0.00 C ATOM 4 O GLY A 1 33.604 3.201 6.174 1.00 0.00 O ATOM 5 H1 GLY A 1 32.057 4.251 2.365 1.00 0.00 H ATOM 6 H2 GLY A 1 32.649 5.414 3.454 1.00 0.00 H ATOM 7 H3 GLY A 1 31.450 4.315 3.948 1.00 0.00 H ATOM 8 HA2 GLY A 1 33.449 2.690 3.078 1.00 0.00 H ATOM 9 HA3 GLY A 1 34.296 4.007 3.891 1.00 0.00 H ATOM 10 N VAL A 2 31.947 2.059 5.167 1.00 0.00 N ATOM 11 CA VAL A 2 31.493 1.435 6.404 1.00 0.00 C ATOM 12 C VAL A 2 31.033 0.004 6.146 1.00 0.00 C ATOM 13 O VAL A 2 30.712 -0.360 5.015 1.00 0.00 O ATOM 14 CB VAL A 2 30.340 2.243 7.004 1.00 0.00 C ATOM 15 CG1 VAL A 2 29.250 2.438 5.950 1.00 0.00 C ATOM 16 CG2 VAL A 2 29.760 1.489 8.203 1.00 0.00 C ATOM 17 H VAL A 2 31.484 1.855 4.327 1.00 0.00 H ATOM 18 HA VAL A 2 32.311 1.419 7.109 1.00 0.00 H ATOM 19 HB VAL A 2 30.706 3.208 7.325 1.00 0.00 H ATOM 20 HG11 VAL A 2 29.585 3.154 5.213 1.00 0.00 H ATOM 21 HG12 VAL A 2 28.352 2.804 6.424 1.00 0.00 H ATOM 22 HG13 VAL A 2 29.042 1.494 5.466 1.00 0.00 H ATOM 23 HG21 VAL A 2 29.189 0.642 7.852 1.00 0.00 H ATOM 24 HG22 VAL A 2 29.116 2.149 8.766 1.00 0.00 H ATOM 25 HG23 VAL A 2 30.565 1.145 8.835 1.00 0.00 H ATOM 26 N ASN A 3 31.003 -0.802 7.203 1.00 0.00 N ATOM 27 CA ASN A 3 30.585 -2.194 7.077 1.00 0.00 C ATOM 28 C ASN A 3 31.342 -2.880 5.944 1.00 0.00 C ATOM 29 O ASN A 3 30.771 -3.180 4.896 1.00 0.00 O ATOM 30 CB ASN A 3 29.081 -2.265 6.806 1.00 0.00 C ATOM 31 CG ASN A 3 28.567 -3.674 7.085 1.00 0.00 C ATOM 32 OD1 ASN A 3 29.198 -4.431 7.822 1.00 0.00 O ATOM 33 ND2 ASN A 3 27.453 -4.073 6.535 1.00 0.00 N ATOM 34 H ASN A 3 31.265 -0.455 8.080 1.00 0.00 H ATOM 35 HA ASN A 3 30.797 -2.708 8.002 1.00 0.00 H ATOM 36 HB2 ASN A 3 28.567 -1.563 7.446 1.00 0.00 H ATOM 37 HB3 ASN A 3 28.891 -2.014 5.773 1.00 0.00 H ATOM 38 HD21 ASN A 3 26.953 -3.468 5.948 1.00 0.00 H ATOM 39 HD22 ASN A 3 27.116 -4.976 6.710 1.00 0.00 H ATOM 40 N ALA A 4 32.629 -3.127 6.164 1.00 0.00 N ATOM 41 CA ALA A 4 33.264 -2.756 7.422 1.00 0.00 C ATOM 42 C ALA A 4 34.772 -2.620 7.243 1.00 0.00 C ATOM 43 O ALA A 4 35.536 -2.754 8.199 1.00 0.00 O ATOM 44 CB ALA A 4 32.968 -3.813 8.488 1.00 0.00 C ATOM 45 H ALA A 4 33.160 -3.565 5.467 1.00 0.00 H ATOM 46 HA ALA A 4 32.863 -1.809 7.752 1.00 0.00 H ATOM 47 HB1 ALA A 4 32.585 -3.333 9.376 1.00 0.00 H ATOM 48 HB2 ALA A 4 33.877 -4.344 8.730 1.00 0.00 H ATOM 49 HB3 ALA A 4 32.234 -4.510 8.110 1.00 0.00 H ATOM 50 N CYS A 5 35.194 -2.353 6.011 1.00 0.00 N ATOM 51 CA CYS A 5 36.615 -2.203 5.717 1.00 0.00 C ATOM 52 C CYS A 5 36.801 -1.578 4.332 1.00 0.00 C ATOM 53 O CYS A 5 37.073 -2.277 3.356 1.00 0.00 O ATOM 54 CB CYS A 5 37.311 -3.563 5.794 1.00 0.00 C ATOM 55 SG CYS A 5 38.120 -3.736 7.405 1.00 0.00 S ATOM 56 H CYS A 5 34.540 -2.256 5.288 1.00 0.00 H ATOM 57 HA CYS A 5 37.056 -1.543 6.449 1.00 0.00 H ATOM 58 HB2 CYS A 5 36.581 -4.348 5.672 1.00 0.00 H ATOM 59 HB3 CYS A 5 38.051 -3.633 5.011 1.00 0.00 H ATOM 60 N SER A 6 36.656 -0.259 4.259 1.00 0.00 N ATOM 61 CA SER A 6 36.814 0.449 2.994 1.00 0.00 C ATOM 62 C SER A 6 38.217 0.240 2.435 1.00 0.00 C ATOM 63 O SER A 6 38.398 0.082 1.228 1.00 0.00 O ATOM 64 CB SER A 6 36.561 1.943 3.196 1.00 0.00 C ATOM 65 OG SER A 6 36.467 2.579 1.929 1.00 0.00 O ATOM 66 H SER A 6 36.439 0.247 5.071 1.00 0.00 H ATOM 67 HA SER A 6 36.094 0.066 2.287 1.00 0.00 H ATOM 68 HB2 SER A 6 35.637 2.084 3.733 1.00 0.00 H ATOM 69 HB3 SER A 6 37.374 2.370 3.767 1.00 0.00 H ATOM 70 HG SER A 6 37.255 3.112 1.806 1.00 0.00 H ATOM 71 N SER A 7 39.208 0.241 3.321 1.00 0.00 N ATOM 72 CA SER A 7 40.592 0.050 2.904 1.00 0.00 C ATOM 73 C SER A 7 40.830 -1.398 2.484 1.00 0.00 C ATOM 74 O SER A 7 40.748 -1.733 1.303 1.00 0.00 O ATOM 75 CB SER A 7 41.538 0.412 4.050 1.00 0.00 C ATOM 76 OG SER A 7 41.283 -0.444 5.156 1.00 0.00 O ATOM 77 H SER A 7 39.005 0.373 4.270 1.00 0.00 H ATOM 78 HA SER A 7 40.798 0.696 2.064 1.00 0.00 H ATOM 79 HB2 SER A 7 42.558 0.285 3.731 1.00 0.00 H ATOM 80 HB3 SER A 7 41.377 1.443 4.335 1.00 0.00 H ATOM 81 HG SER A 7 41.513 0.032 5.958 1.00 0.00 H ATOM 82 N LEU A 8 41.126 -2.251 3.460 1.00 0.00 N ATOM 83 CA LEU A 8 41.372 -3.661 3.180 1.00 0.00 C ATOM 84 C LEU A 8 41.501 -4.450 4.479 1.00 0.00 C ATOM 85 O LEU A 8 42.446 -5.219 4.657 1.00 0.00 O ATOM 86 CB LEU A 8 42.652 -3.814 2.357 1.00 0.00 C ATOM 87 CG LEU A 8 42.755 -5.247 1.834 1.00 0.00 C ATOM 88 CD1 LEU A 8 42.256 -5.301 0.389 1.00 0.00 C ATOM 89 CD2 LEU A 8 44.216 -5.703 1.885 1.00 0.00 C ATOM 90 H LEU A 8 41.179 -1.927 4.383 1.00 0.00 H ATOM 91 HA LEU A 8 40.543 -4.055 2.611 1.00 0.00 H ATOM 92 HB2 LEU A 8 42.629 -3.126 1.524 1.00 0.00 H ATOM 93 HB3 LEU A 8 43.508 -3.597 2.979 1.00 0.00 H ATOM 94 HG LEU A 8 42.151 -5.898 2.449 1.00 0.00 H ATOM 95 HD11 LEU A 8 42.177 -6.331 0.074 1.00 0.00 H ATOM 96 HD12 LEU A 8 42.951 -4.780 -0.252 1.00 0.00 H ATOM 97 HD13 LEU A 8 41.286 -4.830 0.327 1.00 0.00 H ATOM 98 HD21 LEU A 8 44.526 -5.804 2.914 1.00 0.00 H ATOM 99 HD22 LEU A 8 44.838 -4.972 1.391 1.00 0.00 H ATOM 100 HD23 LEU A 8 44.312 -6.655 1.384 1.00 0.00 H ATOM 101 N PHE A 9 40.546 -4.254 5.382 1.00 0.00 N ATOM 102 CA PHE A 9 40.564 -4.954 6.661 1.00 0.00 C ATOM 103 C PHE A 9 39.142 -5.208 7.153 1.00 0.00 C ATOM 104 O PHE A 9 38.928 -6.229 7.785 1.00 0.00 O ATOM 105 CB PHE A 9 41.325 -4.128 7.699 1.00 0.00 C ATOM 106 CG PHE A 9 41.964 -5.051 8.708 1.00 0.00 C ATOM 107 CD1 PHE A 9 43.105 -5.785 8.362 1.00 0.00 C ATOM 108 CD2 PHE A 9 41.415 -5.174 9.990 1.00 0.00 C ATOM 109 CE1 PHE A 9 43.699 -6.638 9.299 1.00 0.00 C ATOM 110 CE2 PHE A 9 42.009 -6.028 10.926 1.00 0.00 C ATOM 111 CZ PHE A 9 43.151 -6.760 10.582 1.00 0.00 C ATOM 112 H PHE A 9 39.819 -3.629 5.185 1.00 0.00 H ATOM 113 HA PHE A 9 41.065 -5.903 6.535 1.00 0.00 H ATOM 114 HB2 PHE A 9 42.091 -3.548 7.205 1.00 0.00 H ATOM 115 HB3 PHE A 9 40.639 -3.463 8.204 1.00 0.00 H ATOM 116 HD1 PHE A 9 43.528 -5.691 7.372 1.00 0.00 H ATOM 117 HD2 PHE A 9 40.532 -4.612 10.256 1.00 0.00 H ATOM 118 HE1 PHE A 9 44.580 -7.204 9.032 1.00 0.00 H ATOM 119 HE2 PHE A 9 41.586 -6.123 11.916 1.00 0.00 H ATOM 120 HZ PHE A 9 43.609 -7.419 11.304 1.00 0.00 H TER 121 PHE A 9 ENDMDL CONECT 55 103 CONECT 103 55 MASTER 120 0 0 0 0 0 0 6 61 1 2 1 END