HEADER HYDROLASE INHIBITOR 26-NOV-08 SMS20056 TITLE LSEAL PENTA-PEPTIDE CALPAIN INHIBITOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: LSEAL PENTA-PEPTIDE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SYNTHESIZED USING STANDARD FMOC-CHEMISTRY KEYWDS CALPAIN INHIBITOR, HYDROLASE INHIBITOR EXPDTA SOLUTION NMR NUMMDL 11 AUTHOR L.DESHMUKH,L.WU,R.P.GUTTMANN,O.VINOGRADOVA JRNL AUTH L.DESHMUKH,L.WU,R.P.GUTTMANN,O.VINOGRADOVA JRNL TITL NMR STRUCTURAL CHARACTERIZATION OF THE PENTA-PEPTIDE CALPAIN JRNL TITL 2 INHIBITOR JRNL REF FEBS LETT. V. 583 135 2009 JRNL REFN ISSN 0014-5793 JRNL PMID 19059407 JRNL DOI 10.1016/J.FEBSLET.2008.11.037 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR_NIH 2.20 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. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 30-SEP-10. REMARK 100 THE BMRB ID CODE IS SMS20056. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 1.6MM LSEAL PENTA-PEPTIDE; 50MM REMARK 210 POTASSIUM PHOSPHATE; 50MM SODIUM REMARK 210 CHLORIDE; 0.08MM CAMLD; 0.5MM REMARK 210 CALCIUM CHLORIDE; 95% H2O/5% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY 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 2.20 REMARK 210 METHOD USED : DGSA-DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 11 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 400 REMARK 400 COMPOUND REMARK 400 calpain inhibitor 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 3 SER A 2 36.56 -85.93 REMARK 500 4 GLU A 3 -64.88 -174.13 REMARK 500 4 ALA A 4 20.25 -174.41 REMARK 500 6 SER A 2 28.10 -146.99 REMARK 500 6 GLU A 3 -63.44 -176.36 REMARK 500 6 ALA A 4 3.57 -170.76 REMARK 500 7 GLU A 3 -63.96 -175.39 REMARK 500 7 ALA A 4 20.62 -174.87 REMARK 500 9 SER A 2 13.47 -144.36 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20056 RELATED DB: BMRB DBREF A 1 5 BMRB SMS20056 SMS20056 1 5 SEQRES 1 A 5 LEU SER GLU ALA LEU 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 LEU A 1 -1.335 2.165 0.298 1.00 0.00 N ATOM 2 CA LEU A 1 -0.169 1.310 -0.066 1.00 0.00 C ATOM 3 C LEU A 1 1.023 1.680 0.818 1.00 0.00 C ATOM 4 O LEU A 1 1.518 2.789 0.779 1.00 0.00 O ATOM 5 CB LEU A 1 0.184 1.537 -1.541 1.00 0.00 C ATOM 6 CG LEU A 1 1.511 0.851 -1.889 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.492 -0.612 -1.420 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.712 0.899 -3.407 1.00 0.00 C ATOM 9 H1 LEU A 1 -2.207 1.603 0.246 1.00 0.00 H ATOM 10 H2 LEU A 1 -1.397 2.965 -0.364 1.00 0.00 H ATOM 11 H3 LEU A 1 -1.213 2.523 1.266 1.00 0.00 H ATOM 12 HA LEU A 1 -0.425 0.273 0.091 1.00 0.00 H ATOM 13 HB2 LEU A 1 -0.599 1.131 -2.162 1.00 0.00 H ATOM 14 HB3 LEU A 1 0.275 2.597 -1.726 1.00 0.00 H ATOM 15 HG LEU A 1 2.325 1.372 -1.405 1.00 0.00 H ATOM 16 HD11 LEU A 1 0.516 -1.040 -1.598 1.00 0.00 H ATOM 17 HD12 LEU A 1 1.716 -0.655 -0.363 1.00 0.00 H ATOM 18 HD13 LEU A 1 2.234 -1.174 -1.967 1.00 0.00 H ATOM 19 HD21 LEU A 1 0.983 0.262 -3.887 1.00 0.00 H ATOM 20 HD22 LEU A 1 2.706 0.555 -3.651 1.00 0.00 H ATOM 21 HD23 LEU A 1 1.586 1.914 -3.756 1.00 0.00 H ATOM 22 N SER A 2 1.485 0.756 1.618 1.00 0.00 N ATOM 23 CA SER A 2 2.646 1.038 2.517 1.00 0.00 C ATOM 24 C SER A 2 3.564 -0.182 2.555 1.00 0.00 C ATOM 25 O SER A 2 4.554 -0.207 3.257 1.00 0.00 O ATOM 26 CB SER A 2 2.130 1.326 3.924 1.00 0.00 C ATOM 27 OG SER A 2 1.122 0.380 4.257 1.00 0.00 O ATOM 28 H SER A 2 1.064 -0.129 1.632 1.00 0.00 H ATOM 29 HA SER A 2 3.200 1.891 2.153 1.00 0.00 H ATOM 30 HB2 SER A 2 2.939 1.245 4.631 1.00 0.00 H ATOM 31 HB3 SER A 2 1.724 2.326 3.956 1.00 0.00 H ATOM 32 HG SER A 2 1.466 -0.497 4.073 1.00 0.00 H ATOM 33 N GLU A 3 3.236 -1.198 1.809 1.00 0.00 N ATOM 34 CA GLU A 3 4.075 -2.422 1.801 1.00 0.00 C ATOM 35 C GLU A 3 5.254 -2.230 0.835 1.00 0.00 C ATOM 36 O GLU A 3 6.193 -3.000 0.828 1.00 0.00 O ATOM 37 CB GLU A 3 3.188 -3.606 1.370 1.00 0.00 C ATOM 38 CG GLU A 3 3.145 -3.736 -0.160 1.00 0.00 C ATOM 39 CD GLU A 3 4.361 -4.527 -0.652 1.00 0.00 C ATOM 40 OE1 GLU A 3 4.609 -5.592 -0.112 1.00 0.00 O ATOM 41 OE2 GLU A 3 5.022 -4.053 -1.561 1.00 0.00 O ATOM 42 H GLU A 3 2.431 -1.159 1.255 1.00 0.00 H ATOM 43 HA GLU A 3 4.455 -2.604 2.795 1.00 0.00 H ATOM 44 HB2 GLU A 3 3.569 -4.518 1.802 1.00 0.00 H ATOM 45 HB3 GLU A 3 2.184 -3.434 1.732 1.00 0.00 H ATOM 46 HG2 GLU A 3 2.240 -4.247 -0.449 1.00 0.00 H ATOM 47 HG3 GLU A 3 3.156 -2.753 -0.599 1.00 0.00 H ATOM 48 N ALA A 4 5.204 -1.205 0.017 1.00 0.00 N ATOM 49 CA ALA A 4 6.313 -0.956 -0.956 1.00 0.00 C ATOM 50 C ALA A 4 7.207 0.164 -0.425 1.00 0.00 C ATOM 51 O ALA A 4 8.269 0.431 -0.954 1.00 0.00 O ATOM 52 CB ALA A 4 5.717 -0.533 -2.300 1.00 0.00 C ATOM 53 H ALA A 4 4.431 -0.596 0.042 1.00 0.00 H ATOM 54 HA ALA A 4 6.901 -1.854 -1.091 1.00 0.00 H ATOM 55 HB1 ALA A 4 5.130 0.364 -2.168 1.00 0.00 H ATOM 56 HB2 ALA A 4 5.085 -1.323 -2.678 1.00 0.00 H ATOM 57 HB3 ALA A 4 6.513 -0.343 -3.004 1.00 0.00 H ATOM 58 N LEU A 5 6.780 0.826 0.613 1.00 0.00 N ATOM 59 CA LEU A 5 7.588 1.938 1.186 1.00 0.00 C ATOM 60 C LEU A 5 8.543 1.379 2.245 1.00 0.00 C ATOM 61 O LEU A 5 9.377 0.563 1.890 1.00 0.00 O ATOM 62 CB LEU A 5 6.641 2.956 1.830 1.00 0.00 C ATOM 63 CG LEU A 5 5.986 3.824 0.747 1.00 0.00 C ATOM 64 CD1 LEU A 5 5.411 2.942 -0.367 1.00 0.00 C ATOM 65 CD2 LEU A 5 4.853 4.640 1.370 1.00 0.00 C ATOM 66 OXT LEU A 5 8.425 1.779 3.391 1.00 0.00 O ATOM 67 H LEU A 5 5.917 0.595 1.016 1.00 0.00 H ATOM 68 HA LEU A 5 8.158 2.420 0.404 1.00 0.00 H ATOM 69 HB2 LEU A 5 5.875 2.433 2.382 1.00 0.00 H ATOM 70 HB3 LEU A 5 7.198 3.591 2.505 1.00 0.00 H ATOM 71 HG LEU A 5 6.724 4.491 0.329 1.00 0.00 H ATOM 72 HD11 LEU A 5 4.846 2.132 0.069 1.00 0.00 H ATOM 73 HD12 LEU A 5 6.218 2.540 -0.962 1.00 0.00 H ATOM 74 HD13 LEU A 5 4.764 3.534 -0.995 1.00 0.00 H ATOM 75 HD21 LEU A 5 5.190 5.072 2.300 1.00 0.00 H ATOM 76 HD22 LEU A 5 4.007 3.996 1.559 1.00 0.00 H ATOM 77 HD23 LEU A 5 4.562 5.426 0.691 1.00 0.00 H TER 78 LEU A 5 ENDMDL MODEL 2 ATOM 1 N LEU A 1 -1.543 1.877 0.180 1.00 0.00 N ATOM 2 CA LEU A 1 -0.340 1.047 -0.109 1.00 0.00 C ATOM 3 C LEU A 1 0.847 1.583 0.693 1.00 0.00 C ATOM 4 O LEU A 1 1.291 2.696 0.495 1.00 0.00 O ATOM 5 CB LEU A 1 -0.027 1.112 -1.610 1.00 0.00 C ATOM 6 CG LEU A 1 1.337 0.474 -1.906 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.426 -0.910 -1.249 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.505 0.331 -3.421 1.00 0.00 C ATOM 9 H1 LEU A 1 -1.895 1.659 1.133 1.00 0.00 H ATOM 10 H2 LEU A 1 -2.285 1.666 -0.520 1.00 0.00 H ATOM 11 H3 LEU A 1 -1.292 2.884 0.128 1.00 0.00 H ATOM 12 HA LEU A 1 -0.535 0.024 0.175 1.00 0.00 H ATOM 13 HB2 LEU A 1 -0.793 0.582 -2.157 1.00 0.00 H ATOM 14 HB3 LEU A 1 -0.013 2.144 -1.926 1.00 0.00 H ATOM 15 HG LEU A 1 2.123 1.107 -1.516 1.00 0.00 H ATOM 16 HD11 LEU A 1 0.490 -1.432 -1.377 1.00 0.00 H ATOM 17 HD12 LEU A 1 1.633 -0.796 -0.195 1.00 0.00 H ATOM 18 HD13 LEU A 1 2.221 -1.477 -1.711 1.00 0.00 H ATOM 19 HD21 LEU A 1 0.839 -0.436 -3.786 1.00 0.00 H ATOM 20 HD22 LEU A 1 2.525 0.059 -3.647 1.00 0.00 H ATOM 21 HD23 LEU A 1 1.269 1.271 -3.900 1.00 0.00 H ATOM 22 N SER A 2 1.366 0.793 1.597 1.00 0.00 N ATOM 23 CA SER A 2 2.531 1.239 2.423 1.00 0.00 C ATOM 24 C SER A 2 3.520 0.081 2.563 1.00 0.00 C ATOM 25 O SER A 2 4.523 0.186 3.238 1.00 0.00 O ATOM 26 CB SER A 2 2.040 1.659 3.809 1.00 0.00 C ATOM 27 OG SER A 2 3.149 2.079 4.592 1.00 0.00 O ATOM 28 H SER A 2 0.988 -0.101 1.736 1.00 0.00 H ATOM 29 HA SER A 2 3.024 2.075 1.947 1.00 0.00 H ATOM 30 HB2 SER A 2 1.344 2.475 3.715 1.00 0.00 H ATOM 31 HB3 SER A 2 1.547 0.820 4.285 1.00 0.00 H ATOM 32 HG SER A 2 3.942 1.986 4.058 1.00 0.00 H ATOM 33 N GLU A 3 3.239 -1.030 1.933 1.00 0.00 N ATOM 34 CA GLU A 3 4.152 -2.201 2.029 1.00 0.00 C ATOM 35 C GLU A 3 5.285 -2.055 1.001 1.00 0.00 C ATOM 36 O GLU A 3 6.261 -2.779 1.032 1.00 0.00 O ATOM 37 CB GLU A 3 3.330 -3.488 1.785 1.00 0.00 C ATOM 38 CG GLU A 3 3.331 -3.888 0.299 1.00 0.00 C ATOM 39 CD GLU A 3 4.621 -4.643 -0.038 1.00 0.00 C ATOM 40 OE1 GLU A 3 5.019 -5.478 0.756 1.00 0.00 O ATOM 41 OE2 GLU A 3 5.186 -4.372 -1.084 1.00 0.00 O ATOM 42 H GLU A 3 2.422 -1.095 1.399 1.00 0.00 H ATOM 43 HA GLU A 3 4.580 -2.236 3.019 1.00 0.00 H ATOM 44 HB2 GLU A 3 3.741 -4.293 2.372 1.00 0.00 H ATOM 45 HB3 GLU A 3 2.310 -3.310 2.096 1.00 0.00 H ATOM 46 HG2 GLU A 3 2.481 -4.524 0.101 1.00 0.00 H ATOM 47 HG3 GLU A 3 3.265 -3.002 -0.311 1.00 0.00 H ATOM 48 N ALA A 4 5.159 -1.124 0.088 1.00 0.00 N ATOM 49 CA ALA A 4 6.223 -0.933 -0.945 1.00 0.00 C ATOM 50 C ALA A 4 7.188 0.155 -0.480 1.00 0.00 C ATOM 51 O ALA A 4 8.129 0.502 -1.166 1.00 0.00 O ATOM 52 CB ALA A 4 5.574 -0.509 -2.264 1.00 0.00 C ATOM 53 H ALA A 4 4.361 -0.551 0.081 1.00 0.00 H ATOM 54 HA ALA A 4 6.765 -1.858 -1.092 1.00 0.00 H ATOM 55 HB1 ALA A 4 5.226 0.511 -2.183 1.00 0.00 H ATOM 56 HB2 ALA A 4 4.738 -1.158 -2.479 1.00 0.00 H ATOM 57 HB3 ALA A 4 6.299 -0.580 -3.061 1.00 0.00 H ATOM 58 N LEU A 5 6.955 0.703 0.681 1.00 0.00 N ATOM 59 CA LEU A 5 7.844 1.778 1.203 1.00 0.00 C ATOM 60 C LEU A 5 8.986 1.150 2.007 1.00 0.00 C ATOM 61 O LEU A 5 8.698 0.511 3.007 1.00 0.00 O ATOM 62 CB LEU A 5 7.023 2.703 2.108 1.00 0.00 C ATOM 63 CG LEU A 5 6.166 3.649 1.256 1.00 0.00 C ATOM 64 CD1 LEU A 5 5.414 2.864 0.176 1.00 0.00 C ATOM 65 CD2 LEU A 5 5.151 4.359 2.153 1.00 0.00 C ATOM 66 OXT LEU A 5 10.127 1.318 1.610 1.00 0.00 O ATOM 67 H LEU A 5 6.186 0.409 1.211 1.00 0.00 H ATOM 68 HA LEU A 5 8.253 2.349 0.381 1.00 0.00 H ATOM 69 HB2 LEU A 5 6.380 2.106 2.738 1.00 0.00 H ATOM 70 HB3 LEU A 5 7.689 3.287 2.727 1.00 0.00 H ATOM 71 HG LEU A 5 6.804 4.381 0.785 1.00 0.00 H ATOM 72 HD11 LEU A 5 4.948 1.997 0.619 1.00 0.00 H ATOM 73 HD12 LEU A 5 6.108 2.550 -0.590 1.00 0.00 H ATOM 74 HD13 LEU A 5 4.656 3.495 -0.264 1.00 0.00 H ATOM 75 HD21 LEU A 5 4.465 4.924 1.541 1.00 0.00 H ATOM 76 HD22 LEU A 5 5.669 5.026 2.825 1.00 0.00 H ATOM 77 HD23 LEU A 5 4.602 3.626 2.725 1.00 0.00 H TER 78 LEU A 5 ENDMDL MODEL 3 ATOM 1 N LEU A 1 0.101 1.972 -1.342 1.00 0.00 N ATOM 2 CA LEU A 1 0.420 0.766 -0.527 1.00 0.00 C ATOM 3 C LEU A 1 1.420 1.146 0.572 1.00 0.00 C ATOM 4 O LEU A 1 2.544 1.515 0.298 1.00 0.00 O ATOM 5 CB LEU A 1 1.008 -0.321 -1.442 1.00 0.00 C ATOM 6 CG LEU A 1 0.390 -1.685 -1.099 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.097 -2.749 -1.917 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.544 -1.990 0.408 1.00 0.00 C ATOM 9 H1 LEU A 1 0.670 2.776 -1.009 1.00 0.00 H ATOM 10 H2 LEU A 1 -0.910 2.197 -1.247 1.00 0.00 H ATOM 11 H3 LEU A 1 0.323 1.785 -2.341 1.00 0.00 H ATOM 12 HA LEU A 1 -0.483 0.397 -0.075 1.00 0.00 H ATOM 13 HB2 LEU A 1 0.783 -0.078 -2.470 1.00 0.00 H ATOM 14 HB3 LEU A 1 2.082 -0.375 -1.318 1.00 0.00 H ATOM 15 HG LEU A 1 -0.659 -1.675 -1.361 1.00 0.00 H ATOM 16 HD11 LEU A 1 0.719 -3.719 -1.639 1.00 0.00 H ATOM 17 HD12 LEU A 1 2.156 -2.699 -1.721 1.00 0.00 H ATOM 18 HD13 LEU A 1 0.912 -2.572 -2.964 1.00 0.00 H ATOM 19 HD21 LEU A 1 1.423 -1.493 0.796 1.00 0.00 H ATOM 20 HD22 LEU A 1 0.640 -3.056 0.559 1.00 0.00 H ATOM 21 HD23 LEU A 1 -0.328 -1.641 0.938 1.00 0.00 H ATOM 22 N SER A 2 1.022 1.052 1.811 1.00 0.00 N ATOM 23 CA SER A 2 1.954 1.400 2.923 1.00 0.00 C ATOM 24 C SER A 2 2.789 0.168 3.260 1.00 0.00 C ATOM 25 O SER A 2 3.093 -0.097 4.406 1.00 0.00 O ATOM 26 CB SER A 2 1.147 1.824 4.152 1.00 0.00 C ATOM 27 OG SER A 2 2.009 2.474 5.077 1.00 0.00 O ATOM 28 H SER A 2 0.115 0.744 2.012 1.00 0.00 H ATOM 29 HA SER A 2 2.604 2.208 2.619 1.00 0.00 H ATOM 30 HB2 SER A 2 0.368 2.505 3.855 1.00 0.00 H ATOM 31 HB3 SER A 2 0.702 0.950 4.610 1.00 0.00 H ATOM 32 HG SER A 2 2.154 3.371 4.768 1.00 0.00 H ATOM 33 N GLU A 3 3.147 -0.597 2.262 1.00 0.00 N ATOM 34 CA GLU A 3 3.949 -1.836 2.499 1.00 0.00 C ATOM 35 C GLU A 3 5.043 -1.963 1.433 1.00 0.00 C ATOM 36 O GLU A 3 5.966 -2.742 1.572 1.00 0.00 O ATOM 37 CB GLU A 3 3.011 -3.045 2.420 1.00 0.00 C ATOM 38 CG GLU A 3 3.668 -4.255 3.088 1.00 0.00 C ATOM 39 CD GLU A 3 2.923 -5.530 2.687 1.00 0.00 C ATOM 40 OE1 GLU A 3 1.903 -5.813 3.294 1.00 0.00 O ATOM 41 OE2 GLU A 3 3.387 -6.204 1.782 1.00 0.00 O ATOM 42 H GLU A 3 2.873 -0.364 1.351 1.00 0.00 H ATOM 43 HA GLU A 3 4.407 -1.799 3.479 1.00 0.00 H ATOM 44 HB2 GLU A 3 2.086 -2.814 2.929 1.00 0.00 H ATOM 45 HB3 GLU A 3 2.804 -3.274 1.384 1.00 0.00 H ATOM 46 HG2 GLU A 3 4.698 -4.323 2.772 1.00 0.00 H ATOM 47 HG3 GLU A 3 3.626 -4.138 4.160 1.00 0.00 H ATOM 48 N ALA A 4 4.951 -1.207 0.367 1.00 0.00 N ATOM 49 CA ALA A 4 5.987 -1.288 -0.709 1.00 0.00 C ATOM 50 C ALA A 4 6.993 -0.151 -0.528 1.00 0.00 C ATOM 51 O ALA A 4 7.884 0.038 -1.332 1.00 0.00 O ATOM 52 CB ALA A 4 5.307 -1.153 -2.074 1.00 0.00 C ATOM 53 H ALA A 4 4.201 -0.584 0.274 1.00 0.00 H ATOM 54 HA ALA A 4 6.503 -2.237 -0.658 1.00 0.00 H ATOM 55 HB1 ALA A 4 4.695 -2.024 -2.259 1.00 0.00 H ATOM 56 HB2 ALA A 4 6.059 -1.070 -2.844 1.00 0.00 H ATOM 57 HB3 ALA A 4 4.686 -0.268 -2.080 1.00 0.00 H ATOM 58 N LEU A 5 6.852 0.611 0.521 1.00 0.00 N ATOM 59 CA LEU A 5 7.789 1.744 0.763 1.00 0.00 C ATOM 60 C LEU A 5 8.997 1.245 1.561 1.00 0.00 C ATOM 61 O LEU A 5 8.788 0.659 2.610 1.00 0.00 O ATOM 62 CB LEU A 5 7.058 2.833 1.559 1.00 0.00 C ATOM 63 CG LEU A 5 6.139 3.634 0.630 1.00 0.00 C ATOM 64 CD1 LEU A 5 5.275 2.686 -0.207 1.00 0.00 C ATOM 65 CD2 LEU A 5 5.228 4.528 1.472 1.00 0.00 C ATOM 66 OXT LEU A 5 10.110 1.458 1.108 1.00 0.00 O ATOM 67 H LEU A 5 6.122 0.440 1.152 1.00 0.00 H ATOM 68 HA LEU A 5 8.123 2.152 -0.181 1.00 0.00 H ATOM 69 HB2 LEU A 5 6.467 2.371 2.337 1.00 0.00 H ATOM 70 HB3 LEU A 5 7.781 3.500 2.006 1.00 0.00 H ATOM 71 HG LEU A 5 6.738 4.247 -0.027 1.00 0.00 H ATOM 72 HD11 LEU A 5 5.882 2.221 -0.969 1.00 0.00 H ATOM 73 HD12 LEU A 5 4.478 3.244 -0.675 1.00 0.00 H ATOM 74 HD13 LEU A 5 4.852 1.926 0.432 1.00 0.00 H ATOM 75 HD21 LEU A 5 4.671 5.188 0.823 1.00 0.00 H ATOM 76 HD22 LEU A 5 5.828 5.113 2.153 1.00 0.00 H ATOM 77 HD23 LEU A 5 4.541 3.913 2.034 1.00 0.00 H TER 78 LEU A 5 ENDMDL MODEL 4 ATOM 1 N LEU A 1 1.692 0.617 4.655 1.00 0.00 N ATOM 2 CA LEU A 1 2.388 0.128 3.432 1.00 0.00 C ATOM 3 C LEU A 1 1.414 0.179 2.251 1.00 0.00 C ATOM 4 O LEU A 1 0.473 -0.588 2.170 1.00 0.00 O ATOM 5 CB LEU A 1 2.890 -1.313 3.682 1.00 0.00 C ATOM 6 CG LEU A 1 3.084 -2.108 2.371 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.104 -1.419 1.454 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.605 -3.505 2.719 1.00 0.00 C ATOM 9 H1 LEU A 1 1.758 1.653 4.702 1.00 0.00 H ATOM 10 H2 LEU A 1 2.139 0.201 5.498 1.00 0.00 H ATOM 11 H3 LEU A 1 0.691 0.338 4.620 1.00 0.00 H ATOM 12 HA LEU A 1 3.230 0.773 3.225 1.00 0.00 H ATOM 13 HB2 LEU A 1 3.832 -1.269 4.204 1.00 0.00 H ATOM 14 HB3 LEU A 1 2.171 -1.830 4.302 1.00 0.00 H ATOM 15 HG LEU A 1 2.142 -2.208 1.854 1.00 0.00 H ATOM 16 HD11 LEU A 1 5.089 -1.527 1.873 1.00 0.00 H ATOM 17 HD12 LEU A 1 3.870 -0.372 1.350 1.00 0.00 H ATOM 18 HD13 LEU A 1 4.078 -1.887 0.483 1.00 0.00 H ATOM 19 HD21 LEU A 1 3.922 -4.006 1.817 1.00 0.00 H ATOM 20 HD22 LEU A 1 2.818 -4.075 3.191 1.00 0.00 H ATOM 21 HD23 LEU A 1 4.442 -3.418 3.396 1.00 0.00 H ATOM 22 N SER A 2 1.650 1.074 1.332 1.00 0.00 N ATOM 23 CA SER A 2 0.775 1.200 0.127 1.00 0.00 C ATOM 24 C SER A 2 1.670 1.081 -1.101 1.00 0.00 C ATOM 25 O SER A 2 1.392 1.631 -2.149 1.00 0.00 O ATOM 26 CB SER A 2 0.097 2.572 0.138 1.00 0.00 C ATOM 27 OG SER A 2 -0.971 2.576 -0.799 1.00 0.00 O ATOM 28 H SER A 2 2.424 1.667 1.428 1.00 0.00 H ATOM 29 HA SER A 2 0.028 0.418 0.113 1.00 0.00 H ATOM 30 HB2 SER A 2 -0.292 2.774 1.122 1.00 0.00 H ATOM 31 HB3 SER A 2 0.822 3.334 -0.121 1.00 0.00 H ATOM 32 HG SER A 2 -1.794 2.496 -0.311 1.00 0.00 H ATOM 33 N GLU A 3 2.763 0.383 -0.955 1.00 0.00 N ATOM 34 CA GLU A 3 3.725 0.234 -2.078 1.00 0.00 C ATOM 35 C GLU A 3 4.826 -0.747 -1.668 1.00 0.00 C ATOM 36 O GLU A 3 4.969 -1.815 -2.229 1.00 0.00 O ATOM 37 CB GLU A 3 4.362 1.593 -2.333 1.00 0.00 C ATOM 38 CG GLU A 3 5.281 1.537 -3.566 1.00 0.00 C ATOM 39 CD GLU A 3 6.663 1.013 -3.170 1.00 0.00 C ATOM 40 OE1 GLU A 3 7.305 1.654 -2.354 1.00 0.00 O ATOM 41 OE2 GLU A 3 7.056 -0.017 -3.692 1.00 0.00 O ATOM 42 H GLU A 3 2.961 -0.028 -0.092 1.00 0.00 H ATOM 43 HA GLU A 3 3.220 -0.114 -2.963 1.00 0.00 H ATOM 44 HB2 GLU A 3 3.588 2.329 -2.494 1.00 0.00 H ATOM 45 HB3 GLU A 3 4.938 1.863 -1.459 1.00 0.00 H ATOM 46 HG2 GLU A 3 4.849 0.884 -4.313 1.00 0.00 H ATOM 47 HG3 GLU A 3 5.384 2.530 -3.980 1.00 0.00 H ATOM 48 N ALA A 4 5.603 -0.374 -0.683 1.00 0.00 N ATOM 49 CA ALA A 4 6.710 -1.253 -0.205 1.00 0.00 C ATOM 50 C ALA A 4 7.359 -0.633 1.035 1.00 0.00 C ATOM 51 O ALA A 4 8.482 -0.939 1.384 1.00 0.00 O ATOM 52 CB ALA A 4 7.758 -1.363 -1.294 1.00 0.00 C ATOM 53 H ALA A 4 5.456 0.495 -0.259 1.00 0.00 H ATOM 54 HA ALA A 4 6.330 -2.235 0.031 1.00 0.00 H ATOM 55 HB1 ALA A 4 7.313 -1.795 -2.174 1.00 0.00 H ATOM 56 HB2 ALA A 4 8.564 -1.988 -0.947 1.00 0.00 H ATOM 57 HB3 ALA A 4 8.134 -0.378 -1.522 1.00 0.00 H ATOM 58 N LEU A 5 6.659 0.245 1.692 1.00 0.00 N ATOM 59 CA LEU A 5 7.215 0.907 2.904 1.00 0.00 C ATOM 60 C LEU A 5 6.965 0.023 4.128 1.00 0.00 C ATOM 61 O LEU A 5 7.609 -1.008 4.232 1.00 0.00 O ATOM 62 CB LEU A 5 6.517 2.258 3.091 1.00 0.00 C ATOM 63 CG LEU A 5 7.061 3.291 2.088 1.00 0.00 C ATOM 64 CD1 LEU A 5 7.157 2.684 0.681 1.00 0.00 C ATOM 65 CD2 LEU A 5 6.115 4.494 2.047 1.00 0.00 C ATOM 66 OXT LEU A 5 6.133 0.392 4.941 1.00 0.00 O ATOM 67 H LEU A 5 5.761 0.476 1.381 1.00 0.00 H ATOM 68 HA LEU A 5 8.277 1.063 2.781 1.00 0.00 H ATOM 69 HB2 LEU A 5 5.454 2.134 2.935 1.00 0.00 H ATOM 70 HB3 LEU A 5 6.688 2.615 4.096 1.00 0.00 H ATOM 71 HG LEU A 5 8.041 3.616 2.405 1.00 0.00 H ATOM 72 HD11 LEU A 5 6.225 2.199 0.435 1.00 0.00 H ATOM 73 HD12 LEU A 5 7.960 1.963 0.647 1.00 0.00 H ATOM 74 HD13 LEU A 5 7.352 3.468 -0.036 1.00 0.00 H ATOM 75 HD21 LEU A 5 5.880 4.803 3.055 1.00 0.00 H ATOM 76 HD22 LEU A 5 5.203 4.218 1.535 1.00 0.00 H ATOM 77 HD23 LEU A 5 6.590 5.309 1.521 1.00 0.00 H TER 78 LEU A 5 ENDMDL MODEL 5 ATOM 1 N LEU A 1 -1.418 1.952 -0.008 1.00 0.00 N ATOM 2 CA LEU A 1 -0.164 1.188 -0.262 1.00 0.00 C ATOM 3 C LEU A 1 0.917 1.653 0.718 1.00 0.00 C ATOM 4 O LEU A 1 1.334 2.795 0.702 1.00 0.00 O ATOM 5 CB LEU A 1 0.297 1.434 -1.705 1.00 0.00 C ATOM 6 CG LEU A 1 1.705 0.860 -1.926 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.765 -0.590 -1.432 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.033 0.903 -3.422 1.00 0.00 C ATOM 9 H1 LEU A 1 -1.498 2.725 -0.699 1.00 0.00 H ATOM 10 H2 LEU A 1 -1.393 2.349 0.955 1.00 0.00 H ATOM 11 H3 LEU A 1 -2.236 1.318 -0.103 1.00 0.00 H ATOM 12 HA LEU A 1 -0.354 0.135 -0.117 1.00 0.00 H ATOM 13 HB2 LEU A 1 -0.393 0.958 -2.386 1.00 0.00 H ATOM 14 HB3 LEU A 1 0.312 2.497 -1.898 1.00 0.00 H ATOM 15 HG LEU A 1 2.426 1.454 -1.384 1.00 0.00 H ATOM 16 HD11 LEU A 1 2.622 -1.086 -1.865 1.00 0.00 H ATOM 17 HD12 LEU A 1 0.864 -1.110 -1.726 1.00 0.00 H ATOM 18 HD13 LEU A 1 1.850 -0.601 -0.356 1.00 0.00 H ATOM 19 HD21 LEU A 1 1.921 1.914 -3.787 1.00 0.00 H ATOM 20 HD22 LEU A 1 1.360 0.250 -3.958 1.00 0.00 H ATOM 21 HD23 LEU A 1 3.050 0.575 -3.576 1.00 0.00 H ATOM 22 N SER A 2 1.375 0.774 1.572 1.00 0.00 N ATOM 23 CA SER A 2 2.431 1.155 2.559 1.00 0.00 C ATOM 24 C SER A 2 3.399 -0.016 2.740 1.00 0.00 C ATOM 25 O SER A 2 4.280 0.018 3.575 1.00 0.00 O ATOM 26 CB SER A 2 1.778 1.486 3.900 1.00 0.00 C ATOM 27 OG SER A 2 1.091 2.727 3.795 1.00 0.00 O ATOM 28 H SER A 2 1.023 -0.140 1.565 1.00 0.00 H ATOM 29 HA SER A 2 2.978 2.018 2.202 1.00 0.00 H ATOM 30 HB2 SER A 2 1.075 0.712 4.160 1.00 0.00 H ATOM 31 HB3 SER A 2 2.541 1.547 4.665 1.00 0.00 H ATOM 32 HG SER A 2 0.293 2.670 4.325 1.00 0.00 H ATOM 33 N GLU A 3 3.239 -1.055 1.963 1.00 0.00 N ATOM 34 CA GLU A 3 4.144 -2.236 2.083 1.00 0.00 C ATOM 35 C GLU A 3 5.264 -2.126 1.046 1.00 0.00 C ATOM 36 O GLU A 3 6.208 -2.891 1.055 1.00 0.00 O ATOM 37 CB GLU A 3 3.340 -3.514 1.831 1.00 0.00 C ATOM 38 CG GLU A 3 4.240 -4.736 2.032 1.00 0.00 C ATOM 39 CD GLU A 3 3.377 -5.992 2.170 1.00 0.00 C ATOM 40 OE1 GLU A 3 3.010 -6.315 3.288 1.00 0.00 O ATOM 41 OE2 GLU A 3 3.097 -6.608 1.155 1.00 0.00 O ATOM 42 H GLU A 3 2.520 -1.059 1.297 1.00 0.00 H ATOM 43 HA GLU A 3 4.574 -2.273 3.075 1.00 0.00 H ATOM 44 HB2 GLU A 3 2.511 -3.558 2.524 1.00 0.00 H ATOM 45 HB3 GLU A 3 2.963 -3.508 0.820 1.00 0.00 H ATOM 46 HG2 GLU A 3 4.898 -4.842 1.182 1.00 0.00 H ATOM 47 HG3 GLU A 3 4.830 -4.607 2.928 1.00 0.00 H ATOM 48 N ALA A 4 5.167 -1.175 0.152 1.00 0.00 N ATOM 49 CA ALA A 4 6.225 -1.004 -0.892 1.00 0.00 C ATOM 50 C ALA A 4 7.159 0.131 -0.475 1.00 0.00 C ATOM 51 O ALA A 4 8.089 0.476 -1.176 1.00 0.00 O ATOM 52 CB ALA A 4 5.566 -0.653 -2.228 1.00 0.00 C ATOM 53 H ALA A 4 4.397 -0.567 0.168 1.00 0.00 H ATOM 54 HA ALA A 4 6.794 -1.917 -1.000 1.00 0.00 H ATOM 55 HB1 ALA A 4 5.004 0.263 -2.124 1.00 0.00 H ATOM 56 HB2 ALA A 4 4.901 -1.453 -2.523 1.00 0.00 H ATOM 57 HB3 ALA A 4 6.329 -0.523 -2.982 1.00 0.00 H ATOM 58 N LEU A 5 6.911 0.717 0.663 1.00 0.00 N ATOM 59 CA LEU A 5 7.773 1.837 1.137 1.00 0.00 C ATOM 60 C LEU A 5 8.990 1.265 1.870 1.00 0.00 C ATOM 61 O LEU A 5 9.238 0.079 1.729 1.00 0.00 O ATOM 62 CB LEU A 5 6.964 2.721 2.093 1.00 0.00 C ATOM 63 CG LEU A 5 6.020 3.629 1.294 1.00 0.00 C ATOM 64 CD1 LEU A 5 5.219 2.800 0.285 1.00 0.00 C ATOM 65 CD2 LEU A 5 5.050 4.321 2.255 1.00 0.00 C ATOM 66 OXT LEU A 5 9.654 2.024 2.556 1.00 0.00 O ATOM 67 H LEU A 5 6.152 0.423 1.209 1.00 0.00 H ATOM 68 HA LEU A 5 8.104 2.426 0.293 1.00 0.00 H ATOM 69 HB2 LEU A 5 6.385 2.094 2.755 1.00 0.00 H ATOM 70 HB3 LEU A 5 7.637 3.333 2.676 1.00 0.00 H ATOM 71 HG LEU A 5 6.599 4.374 0.767 1.00 0.00 H ATOM 72 HD11 LEU A 5 4.397 3.390 -0.094 1.00 0.00 H ATOM 73 HD12 LEU A 5 4.833 1.916 0.770 1.00 0.00 H ATOM 74 HD13 LEU A 5 5.861 2.512 -0.534 1.00 0.00 H ATOM 75 HD21 LEU A 5 5.593 5.029 2.864 1.00 0.00 H ATOM 76 HD22 LEU A 5 4.583 3.583 2.888 1.00 0.00 H ATOM 77 HD23 LEU A 5 4.293 4.841 1.687 1.00 0.00 H TER 78 LEU A 5 ENDMDL MODEL 6 ATOM 1 N LEU A 1 1.684 0.607 4.761 1.00 0.00 N ATOM 2 CA LEU A 1 2.321 0.157 3.491 1.00 0.00 C ATOM 3 C LEU A 1 1.319 0.310 2.346 1.00 0.00 C ATOM 4 O LEU A 1 0.193 -0.138 2.420 1.00 0.00 O ATOM 5 CB LEU A 1 2.761 -1.315 3.639 1.00 0.00 C ATOM 6 CG LEU A 1 2.994 -1.996 2.272 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.102 -1.282 1.488 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.420 -3.446 2.511 1.00 0.00 C ATOM 9 H1 LEU A 1 0.733 0.194 4.838 1.00 0.00 H ATOM 10 H2 LEU A 1 1.612 1.645 4.764 1.00 0.00 H ATOM 11 H3 LEU A 1 2.260 0.296 5.568 1.00 0.00 H ATOM 12 HA LEU A 1 3.186 0.772 3.293 1.00 0.00 H ATOM 13 HB2 LEU A 1 3.680 -1.349 4.206 1.00 0.00 H ATOM 14 HB3 LEU A 1 1.998 -1.857 4.177 1.00 0.00 H ATOM 15 HG LEU A 1 2.082 -1.991 1.694 1.00 0.00 H ATOM 16 HD11 LEU A 1 3.842 -0.246 1.330 1.00 0.00 H ATOM 17 HD12 LEU A 1 4.230 -1.768 0.533 1.00 0.00 H ATOM 18 HD13 LEU A 1 5.023 -1.340 2.042 1.00 0.00 H ATOM 19 HD21 LEU A 1 3.731 -3.890 1.577 1.00 0.00 H ATOM 20 HD22 LEU A 1 2.589 -4.004 2.915 1.00 0.00 H ATOM 21 HD23 LEU A 1 4.242 -3.469 3.211 1.00 0.00 H ATOM 22 N SER A 2 1.740 0.930 1.285 1.00 0.00 N ATOM 23 CA SER A 2 0.853 1.119 0.104 1.00 0.00 C ATOM 24 C SER A 2 1.742 1.074 -1.130 1.00 0.00 C ATOM 25 O SER A 2 1.472 1.690 -2.142 1.00 0.00 O ATOM 26 CB SER A 2 0.156 2.480 0.196 1.00 0.00 C ATOM 27 OG SER A 2 -0.940 2.508 -0.709 1.00 0.00 O ATOM 28 H SER A 2 2.662 1.268 1.256 1.00 0.00 H ATOM 29 HA SER A 2 0.118 0.327 0.055 1.00 0.00 H ATOM 30 HB2 SER A 2 -0.208 2.630 1.198 1.00 0.00 H ATOM 31 HB3 SER A 2 0.862 3.264 -0.049 1.00 0.00 H ATOM 32 HG SER A 2 -1.107 3.424 -0.943 1.00 0.00 H ATOM 33 N GLU A 3 2.829 0.363 -1.018 1.00 0.00 N ATOM 34 CA GLU A 3 3.801 0.271 -2.130 1.00 0.00 C ATOM 35 C GLU A 3 4.912 -0.699 -1.730 1.00 0.00 C ATOM 36 O GLU A 3 5.105 -1.736 -2.333 1.00 0.00 O ATOM 37 CB GLU A 3 4.405 1.657 -2.329 1.00 0.00 C ATOM 38 CG GLU A 3 5.568 1.606 -3.327 1.00 0.00 C ATOM 39 CD GLU A 3 5.111 0.930 -4.621 1.00 0.00 C ATOM 40 OE1 GLU A 3 4.481 1.598 -5.425 1.00 0.00 O ATOM 41 OE2 GLU A 3 5.398 -0.244 -4.786 1.00 0.00 O ATOM 42 H GLU A 3 3.017 -0.095 -0.179 1.00 0.00 H ATOM 43 HA GLU A 3 3.315 -0.060 -3.031 1.00 0.00 H ATOM 44 HB2 GLU A 3 3.646 2.330 -2.694 1.00 0.00 H ATOM 45 HB3 GLU A 3 4.768 2.006 -1.371 1.00 0.00 H ATOM 46 HG2 GLU A 3 5.890 2.614 -3.545 1.00 0.00 H ATOM 47 HG3 GLU A 3 6.392 1.053 -2.902 1.00 0.00 H ATOM 48 N ALA A 4 5.646 -0.351 -0.704 1.00 0.00 N ATOM 49 CA ALA A 4 6.758 -1.230 -0.241 1.00 0.00 C ATOM 50 C ALA A 4 7.315 -0.731 1.096 1.00 0.00 C ATOM 51 O ALA A 4 8.278 -1.266 1.610 1.00 0.00 O ATOM 52 CB ALA A 4 7.871 -1.189 -1.268 1.00 0.00 C ATOM 53 H ALA A 4 5.464 0.491 -0.246 1.00 0.00 H ATOM 54 HA ALA A 4 6.405 -2.245 -0.133 1.00 0.00 H ATOM 55 HB1 ALA A 4 8.709 -1.764 -0.909 1.00 0.00 H ATOM 56 HB2 ALA A 4 8.173 -0.162 -1.419 1.00 0.00 H ATOM 57 HB3 ALA A 4 7.515 -1.604 -2.196 1.00 0.00 H ATOM 58 N LEU A 5 6.732 0.293 1.663 1.00 0.00 N ATOM 59 CA LEU A 5 7.245 0.822 2.959 1.00 0.00 C ATOM 60 C LEU A 5 6.518 0.128 4.112 1.00 0.00 C ATOM 61 O LEU A 5 6.685 -1.073 4.253 1.00 0.00 O ATOM 62 CB LEU A 5 6.996 2.334 3.041 1.00 0.00 C ATOM 63 CG LEU A 5 7.586 3.090 1.815 1.00 0.00 C ATOM 64 CD1 LEU A 5 8.863 2.425 1.278 1.00 0.00 C ATOM 65 CD2 LEU A 5 6.555 3.168 0.682 1.00 0.00 C ATOM 66 OXT LEU A 5 5.809 0.807 4.834 1.00 0.00 O ATOM 67 H LEU A 5 5.961 0.717 1.238 1.00 0.00 H ATOM 68 HA LEU A 5 8.303 0.634 3.041 1.00 0.00 H ATOM 69 HB2 LEU A 5 5.931 2.510 3.097 1.00 0.00 H ATOM 70 HB3 LEU A 5 7.457 2.710 3.944 1.00 0.00 H ATOM 71 HG LEU A 5 7.836 4.088 2.126 1.00 0.00 H ATOM 72 HD11 LEU A 5 8.624 1.467 0.850 1.00 0.00 H ATOM 73 HD12 LEU A 5 9.572 2.295 2.079 1.00 0.00 H ATOM 74 HD13 LEU A 5 9.297 3.054 0.516 1.00 0.00 H ATOM 75 HD21 LEU A 5 6.388 2.184 0.278 1.00 0.00 H ATOM 76 HD22 LEU A 5 6.928 3.815 -0.097 1.00 0.00 H ATOM 77 HD23 LEU A 5 5.625 3.566 1.062 1.00 0.00 H TER 78 LEU A 5 ENDMDL MODEL 7 ATOM 1 N LEU A 1 1.725 0.629 4.657 1.00 0.00 N ATOM 2 CA LEU A 1 2.406 0.128 3.430 1.00 0.00 C ATOM 3 C LEU A 1 1.426 0.188 2.255 1.00 0.00 C ATOM 4 O LEU A 1 0.475 -0.566 2.184 1.00 0.00 O ATOM 5 CB LEU A 1 2.891 -1.319 3.680 1.00 0.00 C ATOM 6 CG LEU A 1 3.076 -2.114 2.367 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.102 -1.434 1.451 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.581 -3.517 2.711 1.00 0.00 C ATOM 9 H1 LEU A 1 2.378 0.574 5.464 1.00 0.00 H ATOM 10 H2 LEU A 1 0.885 0.046 4.849 1.00 0.00 H ATOM 11 H3 LEU A 1 1.437 1.618 4.514 1.00 0.00 H ATOM 12 HA LEU A 1 3.257 0.762 3.217 1.00 0.00 H ATOM 13 HB2 LEU A 1 3.836 -1.286 4.201 1.00 0.00 H ATOM 14 HB3 LEU A 1 2.167 -1.827 4.299 1.00 0.00 H ATOM 15 HG LEU A 1 2.132 -2.201 1.851 1.00 0.00 H ATOM 16 HD11 LEU A 1 5.085 -1.541 1.875 1.00 0.00 H ATOM 17 HD12 LEU A 1 3.872 -0.386 1.339 1.00 0.00 H ATOM 18 HD13 LEU A 1 4.079 -1.908 0.482 1.00 0.00 H ATOM 19 HD21 LEU A 1 2.827 -4.042 3.279 1.00 0.00 H ATOM 20 HD22 LEU A 1 4.485 -3.440 3.297 1.00 0.00 H ATOM 21 HD23 LEU A 1 3.789 -4.058 1.800 1.00 0.00 H ATOM 22 N SER A 2 1.669 1.074 1.331 1.00 0.00 N ATOM 23 CA SER A 2 0.790 1.209 0.130 1.00 0.00 C ATOM 24 C SER A 2 1.681 1.082 -1.102 1.00 0.00 C ATOM 25 O SER A 2 1.406 1.636 -2.148 1.00 0.00 O ATOM 26 CB SER A 2 0.123 2.589 0.150 1.00 0.00 C ATOM 27 OG SER A 2 -1.035 2.536 0.973 1.00 0.00 O ATOM 28 H SER A 2 2.453 1.657 1.419 1.00 0.00 H ATOM 29 HA SER A 2 0.035 0.433 0.119 1.00 0.00 H ATOM 30 HB2 SER A 2 0.810 3.316 0.554 1.00 0.00 H ATOM 31 HB3 SER A 2 -0.150 2.878 -0.857 1.00 0.00 H ATOM 32 HG SER A 2 -1.326 1.622 1.018 1.00 0.00 H ATOM 33 N GLU A 3 2.764 0.368 -0.962 1.00 0.00 N ATOM 34 CA GLU A 3 3.721 0.206 -2.087 1.00 0.00 C ATOM 35 C GLU A 3 4.823 -0.767 -1.669 1.00 0.00 C ATOM 36 O GLU A 3 4.987 -1.830 -2.234 1.00 0.00 O ATOM 37 CB GLU A 3 4.364 1.560 -2.358 1.00 0.00 C ATOM 38 CG GLU A 3 5.302 1.476 -3.569 1.00 0.00 C ATOM 39 CD GLU A 3 4.492 1.146 -4.824 1.00 0.00 C ATOM 40 OE1 GLU A 3 3.717 1.990 -5.245 1.00 0.00 O ATOM 41 OE2 GLU A 3 4.658 0.055 -5.342 1.00 0.00 O ATOM 42 H GLU A 3 2.959 -0.047 -0.099 1.00 0.00 H ATOM 43 HA GLU A 3 3.214 -0.151 -2.967 1.00 0.00 H ATOM 44 HB2 GLU A 3 3.597 2.296 -2.546 1.00 0.00 H ATOM 45 HB3 GLU A 3 4.929 1.843 -1.483 1.00 0.00 H ATOM 46 HG2 GLU A 3 5.798 2.428 -3.702 1.00 0.00 H ATOM 47 HG3 GLU A 3 6.041 0.707 -3.406 1.00 0.00 H ATOM 48 N ALA A 4 5.588 -0.385 -0.681 1.00 0.00 N ATOM 49 CA ALA A 4 6.704 -1.249 -0.203 1.00 0.00 C ATOM 50 C ALA A 4 7.347 -0.618 1.036 1.00 0.00 C ATOM 51 O ALA A 4 8.475 -0.908 1.381 1.00 0.00 O ATOM 52 CB ALA A 4 7.745 -1.343 -1.298 1.00 0.00 C ATOM 53 H ALA A 4 5.433 0.484 -0.260 1.00 0.00 H ATOM 54 HA ALA A 4 6.336 -2.235 0.034 1.00 0.00 H ATOM 55 HB1 ALA A 4 7.345 -1.915 -2.119 1.00 0.00 H ATOM 56 HB2 ALA A 4 8.626 -1.825 -0.910 1.00 0.00 H ATOM 57 HB3 ALA A 4 7.992 -0.348 -1.636 1.00 0.00 H ATOM 58 N LEU A 5 6.635 0.247 1.695 1.00 0.00 N ATOM 59 CA LEU A 5 7.181 0.919 2.905 1.00 0.00 C ATOM 60 C LEU A 5 6.952 0.030 4.131 1.00 0.00 C ATOM 61 O LEU A 5 6.222 -0.938 4.006 1.00 0.00 O ATOM 62 CB LEU A 5 6.457 2.257 3.096 1.00 0.00 C ATOM 63 CG LEU A 5 6.972 3.300 2.088 1.00 0.00 C ATOM 64 CD1 LEU A 5 7.079 2.693 0.681 1.00 0.00 C ATOM 65 CD2 LEU A 5 5.995 4.478 2.046 1.00 0.00 C ATOM 66 OXT LEU A 5 7.512 0.334 5.172 1.00 0.00 O ATOM 67 H LEU A 5 5.732 0.463 1.386 1.00 0.00 H ATOM 68 HA LEU A 5 8.240 1.096 2.779 1.00 0.00 H ATOM 69 HB2 LEU A 5 5.396 2.110 2.948 1.00 0.00 H ATOM 70 HB3 LEU A 5 6.629 2.617 4.099 1.00 0.00 H ATOM 71 HG LEU A 5 7.944 3.652 2.401 1.00 0.00 H ATOM 72 HD11 LEU A 5 7.253 3.480 -0.037 1.00 0.00 H ATOM 73 HD12 LEU A 5 6.160 2.187 0.438 1.00 0.00 H ATOM 74 HD13 LEU A 5 7.899 1.991 0.648 1.00 0.00 H ATOM 75 HD21 LEU A 5 6.403 5.265 1.429 1.00 0.00 H ATOM 76 HD22 LEU A 5 5.834 4.851 3.047 1.00 0.00 H ATOM 77 HD23 LEU A 5 5.052 4.148 1.631 1.00 0.00 H TER 78 LEU A 5 ENDMDL MODEL 8 ATOM 1 N LEU A 1 -1.253 2.124 0.088 1.00 0.00 N ATOM 2 CA LEU A 1 -0.009 1.369 -0.234 1.00 0.00 C ATOM 3 C LEU A 1 1.074 1.719 0.790 1.00 0.00 C ATOM 4 O LEU A 1 1.556 2.834 0.842 1.00 0.00 O ATOM 5 CB LEU A 1 0.463 1.745 -1.645 1.00 0.00 C ATOM 6 CG LEU A 1 1.871 1.191 -1.910 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.932 -0.294 -1.534 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.201 1.352 -3.397 1.00 0.00 C ATOM 9 H1 LEU A 1 -1.979 1.464 0.431 1.00 0.00 H ATOM 10 H2 LEU A 1 -1.596 2.606 -0.768 1.00 0.00 H ATOM 11 H3 LEU A 1 -1.051 2.828 0.825 1.00 0.00 H ATOM 12 HA LEU A 1 -0.214 0.308 -0.192 1.00 0.00 H ATOM 13 HB2 LEU A 1 -0.223 1.334 -2.371 1.00 0.00 H ATOM 14 HB3 LEU A 1 0.480 2.820 -1.740 1.00 0.00 H ATOM 15 HG LEU A 1 2.591 1.741 -1.321 1.00 0.00 H ATOM 16 HD11 LEU A 1 1.039 -0.791 -1.885 1.00 0.00 H ATOM 17 HD12 LEU A 1 2.000 -0.391 -0.460 1.00 0.00 H ATOM 18 HD13 LEU A 1 2.799 -0.748 -1.990 1.00 0.00 H ATOM 19 HD21 LEU A 1 3.148 0.878 -3.608 1.00 0.00 H ATOM 20 HD22 LEU A 1 2.262 2.403 -3.641 1.00 0.00 H ATOM 21 HD23 LEU A 1 1.426 0.889 -3.989 1.00 0.00 H ATOM 22 N SER A 2 1.460 0.772 1.604 1.00 0.00 N ATOM 23 CA SER A 2 2.515 1.034 2.630 1.00 0.00 C ATOM 24 C SER A 2 3.415 -0.195 2.744 1.00 0.00 C ATOM 25 O SER A 2 4.266 -0.279 3.608 1.00 0.00 O ATOM 26 CB SER A 2 1.852 1.307 3.981 1.00 0.00 C ATOM 27 OG SER A 2 1.120 2.524 3.908 1.00 0.00 O ATOM 28 H SER A 2 1.056 -0.118 1.539 1.00 0.00 H ATOM 29 HA SER A 2 3.110 1.888 2.340 1.00 0.00 H ATOM 30 HB2 SER A 2 1.178 0.503 4.223 1.00 0.00 H ATOM 31 HB3 SER A 2 2.614 1.379 4.747 1.00 0.00 H ATOM 32 HG SER A 2 1.430 3.100 4.610 1.00 0.00 H ATOM 33 N GLU A 3 3.232 -1.153 1.874 1.00 0.00 N ATOM 34 CA GLU A 3 4.071 -2.388 1.916 1.00 0.00 C ATOM 35 C GLU A 3 5.239 -2.247 0.937 1.00 0.00 C ATOM 36 O GLU A 3 6.166 -3.030 0.949 1.00 0.00 O ATOM 37 CB GLU A 3 3.214 -3.591 1.513 1.00 0.00 C ATOM 38 CG GLU A 3 3.994 -4.884 1.762 1.00 0.00 C ATOM 39 CD GLU A 3 3.064 -6.085 1.579 1.00 0.00 C ATOM 40 OE1 GLU A 3 2.371 -6.423 2.524 1.00 0.00 O ATOM 41 OE2 GLU A 3 3.061 -6.647 0.495 1.00 0.00 O ATOM 42 H GLU A 3 2.539 -1.060 1.187 1.00 0.00 H ATOM 43 HA GLU A 3 4.454 -2.539 2.916 1.00 0.00 H ATOM 44 HB2 GLU A 3 2.307 -3.598 2.100 1.00 0.00 H ATOM 45 HB3 GLU A 3 2.963 -3.520 0.465 1.00 0.00 H ATOM 46 HG2 GLU A 3 4.812 -4.951 1.059 1.00 0.00 H ATOM 47 HG3 GLU A 3 4.383 -4.883 2.769 1.00 0.00 H ATOM 48 N ALA A 4 5.201 -1.249 0.087 1.00 0.00 N ATOM 49 CA ALA A 4 6.309 -1.048 -0.901 1.00 0.00 C ATOM 50 C ALA A 4 7.194 0.108 -0.439 1.00 0.00 C ATOM 51 O ALA A 4 8.241 0.366 -0.999 1.00 0.00 O ATOM 52 CB ALA A 4 5.710 -0.711 -2.268 1.00 0.00 C ATOM 53 H ALA A 4 4.442 -0.625 0.099 1.00 0.00 H ATOM 54 HA ALA A 4 6.904 -1.947 -0.983 1.00 0.00 H ATOM 55 HB1 ALA A 4 6.502 -0.631 -2.998 1.00 0.00 H ATOM 56 HB2 ALA A 4 5.180 0.228 -2.207 1.00 0.00 H ATOM 57 HB3 ALA A 4 5.026 -1.492 -2.563 1.00 0.00 H ATOM 58 N LEU A 5 6.777 0.809 0.579 1.00 0.00 N ATOM 59 CA LEU A 5 7.583 1.957 1.085 1.00 0.00 C ATOM 60 C LEU A 5 8.606 1.452 2.105 1.00 0.00 C ATOM 61 O LEU A 5 8.227 1.255 3.247 1.00 0.00 O ATOM 62 CB LEU A 5 6.643 2.967 1.753 1.00 0.00 C ATOM 63 CG LEU A 5 5.912 3.791 0.685 1.00 0.00 C ATOM 64 CD1 LEU A 5 5.294 2.865 -0.368 1.00 0.00 C ATOM 65 CD2 LEU A 5 4.800 4.600 1.351 1.00 0.00 C ATOM 66 OXT LEU A 5 9.751 1.271 1.726 1.00 0.00 O ATOM 67 H LEU A 5 5.928 0.583 1.010 1.00 0.00 H ATOM 68 HA LEU A 5 8.097 2.432 0.262 1.00 0.00 H ATOM 69 HB2 LEU A 5 5.919 2.439 2.357 1.00 0.00 H ATOM 70 HB3 LEU A 5 7.218 3.632 2.382 1.00 0.00 H ATOM 71 HG LEU A 5 6.611 4.461 0.208 1.00 0.00 H ATOM 72 HD11 LEU A 5 4.593 3.423 -0.970 1.00 0.00 H ATOM 73 HD12 LEU A 5 4.778 2.054 0.123 1.00 0.00 H ATOM 74 HD13 LEU A 5 6.074 2.469 -1.001 1.00 0.00 H ATOM 75 HD21 LEU A 5 4.434 5.344 0.660 1.00 0.00 H ATOM 76 HD22 LEU A 5 5.189 5.086 2.233 1.00 0.00 H ATOM 77 HD23 LEU A 5 3.993 3.939 1.631 1.00 0.00 H TER 78 LEU A 5 ENDMDL MODEL 9 ATOM 1 N LEU A 1 -1.205 2.247 -0.015 1.00 0.00 N ATOM 2 CA LEU A 1 0.032 1.457 -0.272 1.00 0.00 C ATOM 3 C LEU A 1 1.054 1.744 0.831 1.00 0.00 C ATOM 4 O LEU A 1 1.513 2.858 0.990 1.00 0.00 O ATOM 5 CB LEU A 1 0.611 1.853 -1.637 1.00 0.00 C ATOM 6 CG LEU A 1 1.985 1.201 -1.851 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.898 -0.310 -1.603 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.438 1.457 -3.292 1.00 0.00 C ATOM 9 H1 LEU A 1 -1.633 2.526 -0.920 1.00 0.00 H ATOM 10 H2 LEU A 1 -0.964 3.099 0.533 1.00 0.00 H ATOM 11 H3 LEU A 1 -1.881 1.668 0.522 1.00 0.00 H ATOM 12 HA LEU A 1 -0.213 0.405 -0.272 1.00 0.00 H ATOM 13 HB2 LEU A 1 -0.063 1.528 -2.417 1.00 0.00 H ATOM 14 HB3 LEU A 1 0.716 2.927 -1.681 1.00 0.00 H ATOM 15 HG LEU A 1 2.701 1.636 -1.169 1.00 0.00 H ATOM 16 HD11 LEU A 1 0.980 -0.693 -2.025 1.00 0.00 H ATOM 17 HD12 LEU A 1 1.914 -0.502 -0.541 1.00 0.00 H ATOM 18 HD13 LEU A 1 2.740 -0.803 -2.067 1.00 0.00 H ATOM 19 HD21 LEU A 1 3.389 0.974 -3.462 1.00 0.00 H ATOM 20 HD22 LEU A 1 2.540 2.520 -3.455 1.00 0.00 H ATOM 21 HD23 LEU A 1 1.704 1.058 -3.977 1.00 0.00 H ATOM 22 N SER A 2 1.412 0.747 1.597 1.00 0.00 N ATOM 23 CA SER A 2 2.405 0.953 2.696 1.00 0.00 C ATOM 24 C SER A 2 3.279 -0.294 2.825 1.00 0.00 C ATOM 25 O SER A 2 3.990 -0.469 3.794 1.00 0.00 O ATOM 26 CB SER A 2 1.664 1.191 4.013 1.00 0.00 C ATOM 27 OG SER A 2 1.001 2.447 3.959 1.00 0.00 O ATOM 28 H SER A 2 1.027 -0.142 1.450 1.00 0.00 H ATOM 29 HA SER A 2 3.030 1.808 2.473 1.00 0.00 H ATOM 30 HB2 SER A 2 0.936 0.411 4.163 1.00 0.00 H ATOM 31 HB3 SER A 2 2.373 1.180 4.830 1.00 0.00 H ATOM 32 HG SER A 2 0.235 2.355 3.387 1.00 0.00 H ATOM 33 N GLU A 3 3.226 -1.165 1.849 1.00 0.00 N ATOM 34 CA GLU A 3 4.047 -2.416 1.893 1.00 0.00 C ATOM 35 C GLU A 3 5.233 -2.284 0.933 1.00 0.00 C ATOM 36 O GLU A 3 6.136 -3.098 0.936 1.00 0.00 O ATOM 37 CB GLU A 3 3.176 -3.599 1.458 1.00 0.00 C ATOM 38 CG GLU A 3 3.962 -4.902 1.616 1.00 0.00 C ATOM 39 CD GLU A 3 3.008 -6.091 1.496 1.00 0.00 C ATOM 40 OE1 GLU A 3 2.501 -6.310 0.407 1.00 0.00 O ATOM 41 OE2 GLU A 3 2.799 -6.762 2.493 1.00 0.00 O ATOM 42 H GLU A 3 2.642 -0.997 1.081 1.00 0.00 H ATOM 43 HA GLU A 3 4.411 -2.591 2.896 1.00 0.00 H ATOM 44 HB2 GLU A 3 2.289 -3.637 2.075 1.00 0.00 H ATOM 45 HB3 GLU A 3 2.891 -3.476 0.425 1.00 0.00 H ATOM 46 HG2 GLU A 3 4.714 -4.965 0.844 1.00 0.00 H ATOM 47 HG3 GLU A 3 4.437 -4.921 2.585 1.00 0.00 H ATOM 48 N ALA A 4 5.235 -1.263 0.111 1.00 0.00 N ATOM 49 CA ALA A 4 6.359 -1.065 -0.861 1.00 0.00 C ATOM 50 C ALA A 4 7.200 0.135 -0.429 1.00 0.00 C ATOM 51 O ALA A 4 8.194 0.465 -1.046 1.00 0.00 O ATOM 52 CB ALA A 4 5.779 -0.800 -2.253 1.00 0.00 C ATOM 53 H ALA A 4 4.494 -0.621 0.133 1.00 0.00 H ATOM 54 HA ALA A 4 6.985 -1.947 -0.898 1.00 0.00 H ATOM 55 HB1 ALA A 4 5.353 0.192 -2.282 1.00 0.00 H ATOM 56 HB2 ALA A 4 5.011 -1.527 -2.467 1.00 0.00 H ATOM 57 HB3 ALA A 4 6.564 -0.876 -2.990 1.00 0.00 H ATOM 58 N LEU A 5 6.809 0.792 0.627 1.00 0.00 N ATOM 59 CA LEU A 5 7.582 1.975 1.102 1.00 0.00 C ATOM 60 C LEU A 5 8.744 1.502 1.979 1.00 0.00 C ATOM 61 O LEU A 5 8.661 1.678 3.183 1.00 0.00 O ATOM 62 CB LEU A 5 6.656 2.885 1.917 1.00 0.00 C ATOM 63 CG LEU A 5 5.760 3.696 0.970 1.00 0.00 C ATOM 64 CD1 LEU A 5 5.051 2.754 -0.007 1.00 0.00 C ATOM 65 CD2 LEU A 5 4.713 4.459 1.786 1.00 0.00 C ATOM 66 OXT LEU A 5 9.697 0.973 1.431 1.00 0.00 O ATOM 67 H LEU A 5 6.004 0.509 1.108 1.00 0.00 H ATOM 68 HA LEU A 5 7.969 2.520 0.253 1.00 0.00 H ATOM 69 HB2 LEU A 5 6.040 2.279 2.565 1.00 0.00 H ATOM 70 HB3 LEU A 5 7.248 3.563 2.513 1.00 0.00 H ATOM 71 HG LEU A 5 6.366 4.398 0.415 1.00 0.00 H ATOM 72 HD11 LEU A 5 4.229 3.274 -0.477 1.00 0.00 H ATOM 73 HD12 LEU A 5 4.673 1.896 0.529 1.00 0.00 H ATOM 74 HD13 LEU A 5 5.749 2.429 -0.764 1.00 0.00 H ATOM 75 HD21 LEU A 5 4.274 3.798 2.520 1.00 0.00 H ATOM 76 HD22 LEU A 5 3.940 4.826 1.126 1.00 0.00 H ATOM 77 HD23 LEU A 5 5.183 5.291 2.287 1.00 0.00 H TER 78 LEU A 5 ENDMDL MODEL 10 ATOM 1 N LEU A 1 -1.148 1.714 -0.159 1.00 0.00 N ATOM 2 CA LEU A 1 -0.111 0.645 -0.223 1.00 0.00 C ATOM 3 C LEU A 1 1.178 1.157 0.430 1.00 0.00 C ATOM 4 O LEU A 1 2.068 1.657 -0.231 1.00 0.00 O ATOM 5 CB LEU A 1 0.144 0.278 -1.696 1.00 0.00 C ATOM 6 CG LEU A 1 0.678 -1.163 -1.817 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.890 -1.345 -0.897 1.00 0.00 C ATOM 8 CD2 LEU A 1 -0.419 -2.186 -1.446 1.00 0.00 C ATOM 9 H1 LEU A 1 -1.178 2.112 0.801 1.00 0.00 H ATOM 10 H2 LEU A 1 -2.076 1.310 -0.397 1.00 0.00 H ATOM 11 H3 LEU A 1 -0.913 2.467 -0.836 1.00 0.00 H ATOM 12 HA LEU A 1 -0.464 -0.221 0.314 1.00 0.00 H ATOM 13 HB2 LEU A 1 -0.780 0.364 -2.248 1.00 0.00 H ATOM 14 HB3 LEU A 1 0.867 0.961 -2.119 1.00 0.00 H ATOM 15 HG LEU A 1 0.990 -1.333 -2.839 1.00 0.00 H ATOM 16 HD11 LEU A 1 1.558 -1.399 0.130 1.00 0.00 H ATOM 17 HD12 LEU A 1 2.563 -0.510 -1.015 1.00 0.00 H ATOM 18 HD13 LEU A 1 2.404 -2.259 -1.157 1.00 0.00 H ATOM 19 HD21 LEU A 1 -1.393 -1.789 -1.691 1.00 0.00 H ATOM 20 HD22 LEU A 1 -0.379 -2.409 -0.390 1.00 0.00 H ATOM 21 HD23 LEU A 1 -0.257 -3.096 -2.005 1.00 0.00 H ATOM 22 N SER A 2 1.285 1.037 1.727 1.00 0.00 N ATOM 23 CA SER A 2 2.513 1.516 2.430 1.00 0.00 C ATOM 24 C SER A 2 3.491 0.351 2.593 1.00 0.00 C ATOM 25 O SER A 2 4.579 0.508 3.110 1.00 0.00 O ATOM 26 CB SER A 2 2.127 2.049 3.811 1.00 0.00 C ATOM 27 OG SER A 2 1.195 3.111 3.659 1.00 0.00 O ATOM 28 H SER A 2 0.555 0.633 2.241 1.00 0.00 H ATOM 29 HA SER A 2 2.982 2.305 1.859 1.00 0.00 H ATOM 30 HB2 SER A 2 1.676 1.261 4.389 1.00 0.00 H ATOM 31 HB3 SER A 2 3.014 2.403 4.318 1.00 0.00 H ATOM 32 HG SER A 2 1.435 3.608 2.873 1.00 0.00 H ATOM 33 N GLU A 3 3.111 -0.819 2.155 1.00 0.00 N ATOM 34 CA GLU A 3 4.017 -1.997 2.284 1.00 0.00 C ATOM 35 C GLU A 3 5.047 -1.977 1.151 1.00 0.00 C ATOM 36 O GLU A 3 5.907 -2.833 1.067 1.00 0.00 O ATOM 37 CB GLU A 3 3.185 -3.283 2.207 1.00 0.00 C ATOM 38 CG GLU A 3 3.995 -4.459 2.759 1.00 0.00 C ATOM 39 CD GLU A 3 3.109 -5.706 2.814 1.00 0.00 C ATOM 40 OE1 GLU A 3 2.374 -5.928 1.867 1.00 0.00 O ATOM 41 OE2 GLU A 3 3.182 -6.417 3.802 1.00 0.00 O ATOM 42 H GLU A 3 2.229 -0.923 1.743 1.00 0.00 H ATOM 43 HA GLU A 3 4.527 -1.953 3.236 1.00 0.00 H ATOM 44 HB2 GLU A 3 2.284 -3.162 2.789 1.00 0.00 H ATOM 45 HB3 GLU A 3 2.923 -3.481 1.178 1.00 0.00 H ATOM 46 HG2 GLU A 3 4.842 -4.647 2.115 1.00 0.00 H ATOM 47 HG3 GLU A 3 4.342 -4.224 3.754 1.00 0.00 H ATOM 48 N ALA A 4 4.972 -1.005 0.280 1.00 0.00 N ATOM 49 CA ALA A 4 5.948 -0.922 -0.850 1.00 0.00 C ATOM 50 C ALA A 4 7.049 0.076 -0.488 1.00 0.00 C ATOM 51 O ALA A 4 7.973 0.302 -1.245 1.00 0.00 O ATOM 52 CB ALA A 4 5.225 -0.441 -2.111 1.00 0.00 C ATOM 53 H ALA A 4 4.273 -0.322 0.371 1.00 0.00 H ATOM 54 HA ALA A 4 6.387 -1.893 -1.035 1.00 0.00 H ATOM 55 HB1 ALA A 4 5.923 -0.405 -2.935 1.00 0.00 H ATOM 56 HB2 ALA A 4 4.818 0.544 -1.939 1.00 0.00 H ATOM 57 HB3 ALA A 4 4.423 -1.125 -2.348 1.00 0.00 H ATOM 58 N LEU A 5 6.950 0.678 0.665 1.00 0.00 N ATOM 59 CA LEU A 5 7.977 1.669 1.091 1.00 0.00 C ATOM 60 C LEU A 5 9.133 0.938 1.780 1.00 0.00 C ATOM 61 O LEU A 5 9.974 1.609 2.355 1.00 0.00 O ATOM 62 CB LEU A 5 7.338 2.660 2.070 1.00 0.00 C ATOM 63 CG LEU A 5 6.491 3.686 1.302 1.00 0.00 C ATOM 64 CD1 LEU A 5 5.564 2.976 0.311 1.00 0.00 C ATOM 65 CD2 LEU A 5 5.645 4.483 2.295 1.00 0.00 C ATOM 66 OXT LEU A 5 9.157 -0.280 1.721 1.00 0.00 O ATOM 67 H LEU A 5 6.192 0.480 1.253 1.00 0.00 H ATOM 68 HA LEU A 5 8.351 2.201 0.228 1.00 0.00 H ATOM 69 HB2 LEU A 5 6.708 2.123 2.763 1.00 0.00 H ATOM 70 HB3 LEU A 5 8.112 3.178 2.616 1.00 0.00 H ATOM 71 HG LEU A 5 7.143 4.358 0.764 1.00 0.00 H ATOM 72 HD11 LEU A 5 4.824 3.673 -0.052 1.00 0.00 H ATOM 73 HD12 LEU A 5 5.070 2.153 0.806 1.00 0.00 H ATOM 74 HD13 LEU A 5 6.143 2.602 -0.520 1.00 0.00 H ATOM 75 HD21 LEU A 5 5.056 3.802 2.893 1.00 0.00 H ATOM 76 HD22 LEU A 5 4.987 5.147 1.755 1.00 0.00 H ATOM 77 HD23 LEU A 5 6.291 5.060 2.939 1.00 0.00 H TER 78 LEU A 5 ENDMDL MODEL 11 ATOM 1 N LEU A 1 -1.430 1.791 0.021 1.00 0.00 N ATOM 2 CA LEU A 1 -0.190 1.017 -0.261 1.00 0.00 C ATOM 3 C LEU A 1 0.955 1.567 0.592 1.00 0.00 C ATOM 4 O LEU A 1 1.460 2.645 0.349 1.00 0.00 O ATOM 5 CB LEU A 1 0.162 1.144 -1.750 1.00 0.00 C ATOM 6 CG LEU A 1 1.561 0.574 -2.026 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.692 -0.821 -1.401 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.771 0.476 -3.539 1.00 0.00 C ATOM 9 H1 LEU A 1 -2.200 1.448 -0.587 1.00 0.00 H ATOM 10 H2 LEU A 1 -1.260 2.800 -0.169 1.00 0.00 H ATOM 11 H3 LEU A 1 -1.699 1.666 1.018 1.00 0.00 H ATOM 12 HA LEU A 1 -0.354 -0.023 -0.016 1.00 0.00 H ATOM 13 HB2 LEU A 1 -0.567 0.602 -2.335 1.00 0.00 H ATOM 14 HB3 LEU A 1 0.141 2.187 -2.032 1.00 0.00 H ATOM 15 HG LEU A 1 2.307 1.229 -1.601 1.00 0.00 H ATOM 16 HD11 LEU A 1 2.532 -1.339 -1.844 1.00 0.00 H ATOM 17 HD12 LEU A 1 0.788 -1.384 -1.580 1.00 0.00 H ATOM 18 HD13 LEU A 1 1.852 -0.725 -0.337 1.00 0.00 H ATOM 19 HD21 LEU A 1 2.706 -0.028 -3.741 1.00 0.00 H ATOM 20 HD22 LEU A 1 1.799 1.468 -3.963 1.00 0.00 H ATOM 21 HD23 LEU A 1 0.960 -0.082 -3.981 1.00 0.00 H ATOM 22 N SER A 2 1.368 0.827 1.590 1.00 0.00 N ATOM 23 CA SER A 2 2.484 1.285 2.476 1.00 0.00 C ATOM 24 C SER A 2 3.475 0.135 2.655 1.00 0.00 C ATOM 25 O SER A 2 4.476 0.262 3.332 1.00 0.00 O ATOM 26 CB SER A 2 1.918 1.684 3.840 1.00 0.00 C ATOM 27 OG SER A 2 0.924 2.685 3.661 1.00 0.00 O ATOM 28 H SER A 2 0.939 -0.039 1.759 1.00 0.00 H ATOM 29 HA SER A 2 2.992 2.131 2.033 1.00 0.00 H ATOM 30 HB2 SER A 2 1.475 0.824 4.314 1.00 0.00 H ATOM 31 HB3 SER A 2 2.718 2.063 4.463 1.00 0.00 H ATOM 32 HG SER A 2 0.064 2.256 3.686 1.00 0.00 H ATOM 33 N GLU A 3 3.200 -0.990 2.049 1.00 0.00 N ATOM 34 CA GLU A 3 4.117 -2.158 2.175 1.00 0.00 C ATOM 35 C GLU A 3 5.194 -2.078 1.089 1.00 0.00 C ATOM 36 O GLU A 3 6.102 -2.883 1.041 1.00 0.00 O ATOM 37 CB GLU A 3 3.309 -3.448 2.004 1.00 0.00 C ATOM 38 CG GLU A 3 4.128 -4.643 2.498 1.00 0.00 C ATOM 39 CD GLU A 3 3.261 -5.903 2.466 1.00 0.00 C ATOM 40 OE1 GLU A 3 2.081 -5.794 2.752 1.00 0.00 O ATOM 41 OE2 GLU A 3 3.793 -6.956 2.155 1.00 0.00 O ATOM 42 H GLU A 3 2.387 -1.065 1.510 1.00 0.00 H ATOM 43 HA GLU A 3 4.585 -2.152 3.149 1.00 0.00 H ATOM 44 HB2 GLU A 3 2.396 -3.376 2.577 1.00 0.00 H ATOM 45 HB3 GLU A 3 3.067 -3.586 0.960 1.00 0.00 H ATOM 46 HG2 GLU A 3 4.987 -4.780 1.859 1.00 0.00 H ATOM 47 HG3 GLU A 3 4.457 -4.462 3.510 1.00 0.00 H ATOM 48 N ALA A 4 5.101 -1.105 0.215 1.00 0.00 N ATOM 49 CA ALA A 4 6.118 -0.963 -0.872 1.00 0.00 C ATOM 50 C ALA A 4 7.135 0.105 -0.471 1.00 0.00 C ATOM 51 O ALA A 4 8.087 0.370 -1.179 1.00 0.00 O ATOM 52 CB ALA A 4 5.420 -0.539 -2.166 1.00 0.00 C ATOM 53 H ALA A 4 4.361 -0.464 0.277 1.00 0.00 H ATOM 54 HA ALA A 4 6.629 -1.905 -1.030 1.00 0.00 H ATOM 55 HB1 ALA A 4 6.161 -0.227 -2.888 1.00 0.00 H ATOM 56 HB2 ALA A 4 4.750 0.282 -1.960 1.00 0.00 H ATOM 57 HB3 ALA A 4 4.859 -1.372 -2.562 1.00 0.00 H ATOM 58 N LEU A 5 6.936 0.722 0.660 1.00 0.00 N ATOM 59 CA LEU A 5 7.880 1.780 1.117 1.00 0.00 C ATOM 60 C LEU A 5 9.069 1.128 1.828 1.00 0.00 C ATOM 61 O LEU A 5 8.836 0.298 2.692 1.00 0.00 O ATOM 62 CB LEU A 5 7.148 2.716 2.087 1.00 0.00 C ATOM 63 CG LEU A 5 6.257 3.692 1.306 1.00 0.00 C ATOM 64 CD1 LEU A 5 5.407 2.931 0.283 1.00 0.00 C ATOM 65 CD2 LEU A 5 5.330 4.416 2.283 1.00 0.00 C ATOM 66 OXT LEU A 5 10.192 1.470 1.496 1.00 0.00 O ATOM 67 H LEU A 5 6.159 0.491 1.211 1.00 0.00 H ATOM 68 HA LEU A 5 8.233 2.345 0.267 1.00 0.00 H ATOM 69 HB2 LEU A 5 6.537 2.129 2.757 1.00 0.00 H ATOM 70 HB3 LEU A 5 7.872 3.278 2.661 1.00 0.00 H ATOM 71 HG LEU A 5 6.876 4.412 0.793 1.00 0.00 H ATOM 72 HD11 LEU A 5 4.633 3.581 -0.096 1.00 0.00 H ATOM 73 HD12 LEU A 5 4.955 2.073 0.756 1.00 0.00 H ATOM 74 HD13 LEU A 5 6.034 2.604 -0.534 1.00 0.00 H ATOM 75 HD21 LEU A 5 4.719 5.123 1.742 1.00 0.00 H ATOM 76 HD22 LEU A 5 5.921 4.939 3.019 1.00 0.00 H ATOM 77 HD23 LEU A 5 4.694 3.696 2.777 1.00 0.00 H TER 78 LEU A 5 ENDMDL MASTER 99 0 0 0 0 0 0 6 37 1 0 1 END