HEADER SIGNALING PROTEIN 29-JUN-08 SMS20028 TITLE STRUCTURES OF 1-15 PEPTIDE FRAGMENT OF STATHERIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: STATHERIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 20-34; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 4 ORGANISM_COMMON: HUMAN; SOURCE 5 ORGANISM_TAXID: 9606; SOURCE 6 OTHER_DETAILS: SYNTHESIZED USING F-MOC CHEMISTRY KEYWDS SIGNALING PROTEIN EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR S.-M.GUO JRNL AUTH S.-M.GUO JRNL TITL STRUCTURES OF 1-15 PEPTIDE FRAGMENT OF STATHERIN JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL 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 14-SEP-10. REMARK 100 THE BMRB ID CODE IS SMS20028. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 1-3MM STATHERIN 1-15 REMARK 210 POLYPEPTIDE; 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D DQF-COSY; 2D 1H-1H TOCSY; 2D REMARK 210 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ARIA REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 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: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 5 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20028 RELATED DB: BMRB DBREF A 1 15 UNP P02808 STAT_HUMAN 20 34 SEQRES 1 A 15 ASP SEP SEP GLU GLU LYS PHE LEU ARG ARG ILE GLY ARG SEQRES 2 A 15 PHE GLY MODRES SEP A 2 SER PHOSPHOSERINE MODRES SEP A 3 SER PHOSPHOSERINE HET SEP A 2 15 HET SEP A 3 15 HETNAM SEP PHOSPHOSERINE HETSYN SEP PHOSPHONOSERINE FORMUL 1 SEP 2(C3 H8 N O6 P) HELIX 1 1 SEP A 2 PHE A 14 1 13 LINK C ASP A 1 N SEP A 2 1555 1555 1.37 LINK C SEP A 2 N SEP A 3 1555 1555 1.38 LINK C SEP A 3 N GLU A 4 1555 1555 1.38 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N ASP A 1 12.976 -2.174 0.429 1.00 0.00 N ATOM 2 CA ASP A 1 11.913 -1.163 0.714 1.00 0.00 C ATOM 3 C ASP A 1 10.513 -1.814 0.746 1.00 0.00 C ATOM 4 O ASP A 1 10.088 -2.486 -0.220 1.00 0.00 O ATOM 5 CB ASP A 1 11.967 0.002 -0.317 1.00 0.00 C ATOM 6 CG ASP A 1 13.039 1.050 -0.014 1.00 0.00 C ATOM 7 OD1 ASP A 1 14.184 0.888 -0.491 1.00 0.00 O ATOM 8 OD2 ASP A 1 12.727 2.036 0.691 1.00 0.00 O ATOM 9 H1 ASP A 1 12.808 -2.620 -0.495 1.00 0.00 H ATOM 10 H2 ASP A 1 12.974 -2.911 1.162 1.00 0.00 H ATOM 11 H3 ASP A 1 13.910 -1.715 0.417 1.00 0.00 H ATOM 12 HA ASP A 1 12.110 -0.757 1.697 1.00 0.00 H ATOM 13 HB2 ASP A 1 12.171 -0.408 -1.295 1.00 0.00 H HETATM 14 N SEP A 2 9.819 -1.617 1.912 1.00 0.00 N HETATM 15 CA SEP A 2 8.436 -2.121 2.179 1.00 0.00 C HETATM 16 CB SEP A 2 8.326 -2.535 3.668 1.00 0.00 C HETATM 17 OG SEP A 2 7.059 -3.151 3.915 1.00 0.00 O HETATM 18 C SEP A 2 7.309 -1.093 1.808 1.00 0.00 C HETATM 19 O SEP A 2 6.137 -1.493 1.648 1.00 0.00 O HETATM 20 P SEP A 2 6.937 -4.754 4.004 1.00 0.00 P HETATM 21 O1P SEP A 2 5.475 -5.390 4.228 1.00 0.00 O HETATM 22 O2P SEP A 2 6.850 -4.479 5.588 1.00 0.00 O HETATM 23 O3P SEP A 2 8.144 -5.582 4.225 1.00 0.00 O HETATM 24 H SEP A 2 10.263 -1.108 2.623 1.00 0.00 H HETATM 25 HA SEP A 2 8.296 -3.003 1.571 1.00 0.00 H HETATM 26 HB2 SEP A 2 8.422 -1.657 4.290 1.00 0.00 H HETATM 27 HB3 SEP A 2 9.117 -3.230 3.904 1.00 0.00 H HETATM 28 HOP2 SEP A 2 6.268 -3.684 5.757 1.00 0.00 H HETATM 29 N SEP A 3 7.704 0.215 1.593 1.00 0.00 N HETATM 30 CA SEP A 3 6.774 1.382 1.419 1.00 0.00 C HETATM 31 CB SEP A 3 7.544 2.689 1.705 1.00 0.00 C HETATM 32 OG SEP A 3 8.023 2.677 3.053 1.00 0.00 O HETATM 33 C SEP A 3 6.049 1.466 0.032 1.00 0.00 C HETATM 34 O SEP A 3 4.989 2.118 -0.067 1.00 0.00 O HETATM 35 P SEP A 3 8.156 4.048 3.887 1.00 0.00 P HETATM 36 O1P SEP A 3 9.174 4.981 3.060 1.00 0.00 O HETATM 37 O2P SEP A 3 6.718 4.771 3.832 1.00 0.00 O HETATM 38 O3P SEP A 3 8.644 3.801 5.262 1.00 0.00 O HETATM 39 H SEP A 3 8.667 0.395 1.551 1.00 0.00 H HETATM 40 HA SEP A 3 6.014 1.276 2.168 1.00 0.00 H HETATM 41 HB2 SEP A 3 6.885 3.533 1.566 1.00 0.00 H HETATM 42 HB3 SEP A 3 8.380 2.768 1.025 1.00 0.00 H HETATM 43 HOP2 SEP A 3 6.518 5.182 4.722 1.00 0.00 H ATOM 44 N GLU A 4 6.594 0.742 -1.003 1.00 0.00 N ATOM 45 CA GLU A 4 6.021 0.670 -2.390 1.00 0.00 C ATOM 46 C GLU A 4 4.771 -0.278 -2.454 1.00 0.00 C ATOM 47 O GLU A 4 3.723 0.110 -3.006 1.00 0.00 O ATOM 48 CB GLU A 4 7.144 0.240 -3.404 1.00 0.00 C ATOM 49 CG GLU A 4 6.997 0.749 -4.868 1.00 0.00 C ATOM 50 CD GLU A 4 7.510 2.176 -5.112 1.00 0.00 C ATOM 51 OE1 GLU A 4 8.710 2.333 -5.435 1.00 0.00 O ATOM 52 OE2 GLU A 4 6.704 3.127 -4.997 1.00 0.00 O ATOM 53 H GLU A 4 7.410 0.237 -0.816 1.00 0.00 H ATOM 54 HA GLU A 4 5.692 1.656 -2.641 1.00 0.00 H ATOM 55 HB2 GLU A 4 8.091 0.596 -3.028 1.00 0.00 H ATOM 56 HG2 GLU A 4 7.545 0.082 -5.516 1.00 0.00 H ATOM 57 N GLU A 5 4.894 -1.476 -1.800 1.00 0.00 N ATOM 58 CA GLU A 5 3.801 -2.499 -1.677 1.00 0.00 C ATOM 59 C GLU A 5 2.774 -2.159 -0.548 1.00 0.00 C ATOM 60 O GLU A 5 1.629 -2.640 -0.587 1.00 0.00 O ATOM 61 CB GLU A 5 4.389 -3.928 -1.486 1.00 0.00 C ATOM 62 CG GLU A 5 4.816 -4.621 -2.793 1.00 0.00 C ATOM 63 CD GLU A 5 5.364 -6.031 -2.588 1.00 0.00 C ATOM 64 OE1 GLU A 5 6.594 -6.172 -2.395 1.00 0.00 O ATOM 65 OE2 GLU A 5 4.568 -6.998 -2.640 1.00 0.00 O ATOM 66 H GLU A 5 5.755 -1.667 -1.383 1.00 0.00 H ATOM 67 HA GLU A 5 3.265 -2.478 -2.608 1.00 0.00 H ATOM 68 HB2 GLU A 5 5.255 -3.863 -0.845 1.00 0.00 H ATOM 69 HG2 GLU A 5 3.958 -4.682 -3.445 1.00 0.00 H ATOM 70 N LYS A 6 3.200 -1.267 0.414 1.00 0.00 N ATOM 71 CA LYS A 6 2.344 -0.674 1.486 1.00 0.00 C ATOM 72 C LYS A 6 1.345 0.401 0.924 1.00 0.00 C ATOM 73 O LYS A 6 0.159 0.394 1.300 1.00 0.00 O ATOM 74 CB LYS A 6 3.259 -0.074 2.598 1.00 0.00 C ATOM 75 CG LYS A 6 2.793 -0.301 4.043 1.00 0.00 C ATOM 76 CD LYS A 6 3.758 0.329 5.042 1.00 0.00 C ATOM 77 CE LYS A 6 3.274 0.167 6.476 1.00 0.00 C ATOM 78 NZ LYS A 6 4.233 0.750 7.454 1.00 0.00 N ATOM 79 H LYS A 6 4.141 -1.014 0.399 1.00 0.00 H ATOM 80 HA LYS A 6 1.776 -1.471 1.901 1.00 0.00 H ATOM 81 HB2 LYS A 6 4.241 -0.507 2.500 1.00 0.00 H ATOM 82 HG2 LYS A 6 1.818 0.141 4.171 1.00 0.00 H ATOM 83 HD2 LYS A 6 4.722 -0.146 4.944 1.00 0.00 H ATOM 84 HE2 LYS A 6 2.322 0.666 6.580 1.00 0.00 H ATOM 85 HZ1 LYS A 6 4.342 1.770 7.283 1.00 0.00 H ATOM 86 HZ2 LYS A 6 5.162 0.292 7.360 1.00 0.00 H ATOM 87 HZ3 LYS A 6 3.886 0.607 8.423 1.00 0.00 H ATOM 88 N PHE A 7 1.845 1.255 -0.033 1.00 0.00 N ATOM 89 CA PHE A 7 1.064 2.351 -0.698 1.00 0.00 C ATOM 90 C PHE A 7 0.127 1.846 -1.846 1.00 0.00 C ATOM 91 O PHE A 7 -0.950 2.436 -2.061 1.00 0.00 O ATOM 92 CB PHE A 7 2.041 3.463 -1.221 1.00 0.00 C ATOM 93 CG PHE A 7 1.714 4.906 -0.802 1.00 0.00 C ATOM 94 CD1 PHE A 7 0.878 5.712 -1.581 1.00 0.00 C ATOM 95 CD2 PHE A 7 2.259 5.458 0.360 1.00 0.00 C ATOM 96 CE1 PHE A 7 0.595 7.015 -1.208 1.00 0.00 C ATOM 97 CE2 PHE A 7 1.973 6.762 0.731 1.00 0.00 C ATOM 98 CZ PHE A 7 1.142 7.537 -0.052 1.00 0.00 C ATOM 99 H PHE A 7 2.784 1.134 -0.290 1.00 0.00 H ATOM 100 HA PHE A 7 0.439 2.781 0.058 1.00 0.00 H ATOM 101 HB2 PHE A 7 3.034 3.244 -0.864 1.00 0.00 H ATOM 102 HD1 PHE A 7 0.445 5.307 -2.485 1.00 0.00 H ATOM 103 HD2 PHE A 7 2.911 4.856 0.975 1.00 0.00 H ATOM 104 HE1 PHE A 7 -0.053 7.623 -1.823 1.00 0.00 H ATOM 105 HE2 PHE A 7 2.401 7.171 1.635 1.00 0.00 H ATOM 106 HZ PHE A 7 0.919 8.553 0.238 1.00 0.00 H ATOM 107 N LEU A 8 0.523 0.708 -2.509 1.00 0.00 N ATOM 108 CA LEU A 8 -0.239 0.062 -3.624 1.00 0.00 C ATOM 109 C LEU A 8 -1.371 -0.879 -3.121 1.00 0.00 C ATOM 110 O LEU A 8 -2.424 -1.003 -3.781 1.00 0.00 O ATOM 111 CB LEU A 8 0.710 -0.690 -4.623 1.00 0.00 C ATOM 112 CG LEU A 8 1.420 0.159 -5.717 1.00 0.00 C ATOM 113 CD1 LEU A 8 2.704 -0.527 -6.163 1.00 0.00 C ATOM 114 CD2 LEU A 8 0.526 0.382 -6.945 1.00 0.00 C ATOM 115 H LEU A 8 1.345 0.288 -2.216 1.00 0.00 H ATOM 116 HA LEU A 8 -0.707 0.860 -4.151 1.00 0.00 H ATOM 117 HB2 LEU A 8 1.475 -1.182 -4.042 1.00 0.00 H ATOM 118 HG LEU A 8 1.679 1.124 -5.306 1.00 0.00 H ATOM 119 HD11 LEU A 8 2.469 -1.496 -6.577 1.00 0.00 H ATOM 120 HD12 LEU A 8 3.193 0.076 -6.913 1.00 0.00 H ATOM 121 HD13 LEU A 8 3.361 -0.646 -5.313 1.00 0.00 H ATOM 122 HD21 LEU A 8 -0.378 0.891 -6.644 1.00 0.00 H ATOM 123 HD22 LEU A 8 1.053 0.983 -7.671 1.00 0.00 H ATOM 124 HD23 LEU A 8 0.272 -0.572 -7.383 1.00 0.00 H ATOM 125 N ARG A 9 -1.150 -1.491 -1.912 1.00 0.00 N ATOM 126 CA ARG A 9 -2.189 -2.248 -1.154 1.00 0.00 C ATOM 127 C ARG A 9 -3.095 -1.294 -0.292 1.00 0.00 C ATOM 128 O ARG A 9 -4.193 -1.705 0.125 1.00 0.00 O ATOM 129 CB ARG A 9 -1.504 -3.364 -0.286 1.00 0.00 C ATOM 130 CG ARG A 9 -2.327 -4.663 -0.018 1.00 0.00 C ATOM 131 CD ARG A 9 -2.327 -5.682 -1.185 1.00 0.00 C ATOM 132 NE ARG A 9 -1.061 -6.461 -1.301 1.00 0.00 N ATOM 133 CZ ARG A 9 -0.764 -7.393 -2.256 1.00 0.00 C ATOM 134 NH1 ARG A 9 -1.632 -7.764 -3.214 1.00 0.00 N ATOM 135 NH2 ARG A 9 0.431 -7.969 -2.235 1.00 0.00 N ATOM 136 H ARG A 9 -0.248 -1.426 -1.529 1.00 0.00 H ATOM 137 HA ARG A 9 -2.820 -2.718 -1.885 1.00 0.00 H ATOM 138 HB2 ARG A 9 -0.590 -3.657 -0.778 1.00 0.00 H ATOM 139 HG2 ARG A 9 -1.916 -5.150 0.851 1.00 0.00 H ATOM 140 HD2 ARG A 9 -3.141 -6.373 -1.034 1.00 0.00 H ATOM 141 HE ARG A 9 -0.373 -6.272 -0.629 1.00 0.00 H ATOM 142 HH11 ARG A 9 -2.543 -7.353 -3.248 1.00 0.00 H ATOM 143 HH12 ARG A 9 -1.367 -8.449 -3.891 1.00 0.00 H ATOM 144 HH21 ARG A 9 1.094 -7.719 -1.529 1.00 0.00 H ATOM 145 HH22 ARG A 9 0.669 -8.652 -2.926 1.00 0.00 H ATOM 146 N ARG A 10 -2.635 -0.007 -0.083 1.00 0.00 N ATOM 147 CA ARG A 10 -3.452 1.076 0.556 1.00 0.00 C ATOM 148 C ARG A 10 -4.564 1.644 -0.394 1.00 0.00 C ATOM 149 O ARG A 10 -5.711 1.834 0.055 1.00 0.00 O ATOM 150 CB ARG A 10 -2.545 2.211 1.115 1.00 0.00 C ATOM 151 CG ARG A 10 -2.875 2.638 2.558 1.00 0.00 C ATOM 152 CD ARG A 10 -2.015 3.815 3.038 1.00 0.00 C ATOM 153 NE ARG A 10 -0.689 3.393 3.572 1.00 0.00 N ATOM 154 CZ ARG A 10 0.215 4.176 4.233 1.00 0.00 C ATOM 155 NH1 ARG A 10 -0.010 5.467 4.530 1.00 0.00 N ATOM 156 NH2 ARG A 10 1.365 3.635 4.612 1.00 0.00 N ATOM 157 H ARG A 10 -1.705 0.198 -0.348 1.00 0.00 H ATOM 158 HA ARG A 10 -3.948 0.615 1.374 1.00 0.00 H ATOM 159 HB2 ARG A 10 -1.519 1.875 1.095 1.00 0.00 H ATOM 160 HG2 ARG A 10 -3.914 2.926 2.606 1.00 0.00 H ATOM 161 HD2 ARG A 10 -1.854 4.482 2.205 1.00 0.00 H ATOM 162 HE ARG A 10 -0.443 2.458 3.419 1.00 0.00 H ATOM 163 HH11 ARG A 10 -0.872 5.899 4.265 1.00 0.00 H ATOM 164 HH12 ARG A 10 0.684 5.996 5.015 1.00 0.00 H ATOM 165 HH21 ARG A 10 1.555 2.674 4.411 1.00 0.00 H ATOM 166 HH22 ARG A 10 2.043 4.189 5.095 1.00 0.00 H ATOM 167 N ILE A 11 -4.217 1.846 -1.707 1.00 0.00 N ATOM 168 CA ILE A 11 -5.179 2.278 -2.773 1.00 0.00 C ATOM 169 C ILE A 11 -5.966 1.089 -3.440 1.00 0.00 C ATOM 170 O ILE A 11 -7.024 1.314 -4.059 1.00 0.00 O ATOM 171 CB ILE A 11 -4.533 3.229 -3.891 1.00 0.00 C ATOM 172 CG1 ILE A 11 -3.122 2.807 -4.444 1.00 0.00 C ATOM 173 CG2 ILE A 11 -4.483 4.680 -3.403 1.00 0.00 C ATOM 174 CD1 ILE A 11 -3.143 1.881 -5.662 1.00 0.00 C ATOM 175 H ILE A 11 -3.285 1.716 -1.962 1.00 0.00 H ATOM 176 HA ILE A 11 -5.918 2.866 -2.257 1.00 0.00 H ATOM 177 HB ILE A 11 -5.219 3.209 -4.708 1.00 0.00 H ATOM 178 HG12 ILE A 11 -2.582 3.697 -4.726 1.00 0.00 H ATOM 179 HG21 ILE A 11 -5.484 5.025 -3.197 1.00 0.00 H ATOM 180 HG22 ILE A 11 -3.888 4.737 -2.503 1.00 0.00 H ATOM 181 HG23 ILE A 11 -4.039 5.302 -4.167 1.00 0.00 H ATOM 182 HD11 ILE A 11 -2.129 1.649 -5.955 1.00 0.00 H ATOM 183 HD12 ILE A 11 -3.663 0.968 -5.407 1.00 0.00 H ATOM 184 HD13 ILE A 11 -3.653 2.370 -6.479 1.00 0.00 H ATOM 185 N GLY A 12 -5.426 -0.161 -3.278 1.00 0.00 N ATOM 186 CA GLY A 12 -6.076 -1.410 -3.753 1.00 0.00 C ATOM 187 C GLY A 12 -7.149 -1.994 -2.807 1.00 0.00 C ATOM 188 O GLY A 12 -8.081 -2.657 -3.292 1.00 0.00 O ATOM 189 H GLY A 12 -4.551 -0.226 -2.836 1.00 0.00 H ATOM 190 HA2 GLY A 12 -6.541 -1.210 -4.706 1.00 0.00 H ATOM 191 HA3 GLY A 12 -5.308 -2.155 -3.901 1.00 0.00 H ATOM 192 N ARG A 13 -6.999 -1.745 -1.461 1.00 0.00 N ATOM 193 CA ARG A 13 -7.984 -2.169 -0.416 1.00 0.00 C ATOM 194 C ARG A 13 -9.065 -1.071 -0.118 1.00 0.00 C ATOM 195 O ARG A 13 -10.259 -1.408 -0.042 1.00 0.00 O ATOM 196 CB ARG A 13 -7.232 -2.605 0.884 1.00 0.00 C ATOM 197 CG ARG A 13 -7.923 -3.693 1.723 1.00 0.00 C ATOM 198 CD ARG A 13 -7.210 -3.904 3.055 1.00 0.00 C ATOM 199 NE ARG A 13 -7.917 -4.873 3.930 1.00 0.00 N ATOM 200 CZ ARG A 13 -7.772 -5.012 5.284 1.00 0.00 C ATOM 201 NH1 ARG A 13 -6.936 -4.252 6.013 1.00 0.00 N ATOM 202 NH2 ARG A 13 -8.486 -5.939 5.910 1.00 0.00 N ATOM 203 H ARG A 13 -6.185 -1.271 -1.168 1.00 0.00 H ATOM 204 HA ARG A 13 -8.500 -3.018 -0.809 1.00 0.00 H ATOM 205 HB2 ARG A 13 -6.259 -2.976 0.603 1.00 0.00 H ATOM 206 HG2 ARG A 13 -8.941 -3.392 1.917 1.00 0.00 H ATOM 207 HD2 ARG A 13 -6.213 -4.272 2.858 1.00 0.00 H ATOM 208 HE ARG A 13 -8.551 -5.472 3.484 1.00 0.00 H ATOM 209 HH11 ARG A 13 -6.384 -3.548 5.568 1.00 0.00 H ATOM 210 HH12 ARG A 13 -6.870 -4.390 7.002 1.00 0.00 H ATOM 211 HH21 ARG A 13 -9.114 -6.520 5.393 1.00 0.00 H ATOM 212 HH22 ARG A 13 -8.394 -6.056 6.899 1.00 0.00 H ATOM 213 N PHE A 14 -8.628 0.222 0.021 1.00 0.00 N ATOM 214 CA PHE A 14 -9.518 1.368 0.420 1.00 0.00 C ATOM 215 C PHE A 14 -10.170 2.108 -0.788 1.00 0.00 C ATOM 216 O PHE A 14 -11.354 2.488 -0.698 1.00 0.00 O ATOM 217 CB PHE A 14 -8.760 2.389 1.345 1.00 0.00 C ATOM 218 CG PHE A 14 -8.474 1.931 2.785 1.00 0.00 C ATOM 219 CD1 PHE A 14 -9.392 2.164 3.813 1.00 0.00 C ATOM 220 CD2 PHE A 14 -7.277 1.284 3.110 1.00 0.00 C ATOM 221 CE1 PHE A 14 -9.126 1.760 5.111 1.00 0.00 C ATOM 222 CE2 PHE A 14 -7.015 0.880 4.406 1.00 0.00 C ATOM 223 CZ PHE A 14 -7.939 1.118 5.405 1.00 0.00 C ATOM 224 H PHE A 14 -7.678 0.401 -0.146 1.00 0.00 H ATOM 225 HA PHE A 14 -10.321 0.935 0.999 1.00 0.00 H ATOM 226 HB2 PHE A 14 -7.809 2.622 0.892 1.00 0.00 H ATOM 227 HD1 PHE A 14 -10.323 2.663 3.586 1.00 0.00 H ATOM 228 HD2 PHE A 14 -6.551 1.097 2.332 1.00 0.00 H ATOM 229 HE1 PHE A 14 -9.847 1.949 5.893 1.00 0.00 H ATOM 230 HE2 PHE A 14 -6.087 0.378 4.638 1.00 0.00 H ATOM 231 HZ PHE A 14 -7.733 0.802 6.417 1.00 0.00 H ATOM 232 N GLY A 15 -9.396 2.283 -1.911 1.00 0.00 N ATOM 233 CA GLY A 15 -9.874 2.975 -3.134 1.00 0.00 C ATOM 234 C GLY A 15 -10.507 2.054 -4.187 1.00 0.00 C ATOM 235 O GLY A 15 -10.084 0.880 -4.303 1.00 0.00 O ATOM 236 OXT GLY A 15 -11.428 2.516 -4.892 1.00 0.00 O ATOM 237 H GLY A 15 -8.480 1.933 -1.899 1.00 0.00 H ATOM 238 HA2 GLY A 15 -10.607 3.712 -2.843 1.00 0.00 H ATOM 239 HA3 GLY A 15 -9.036 3.486 -3.583 1.00 0.00 H TER 240 GLY A 15 ENDMDL MODEL 2 ATOM 1 N ASP A 1 11.757 -1.841 -2.213 1.00 0.00 N ATOM 2 CA ASP A 1 11.079 -1.078 -1.123 1.00 0.00 C ATOM 3 C ASP A 1 9.824 -1.822 -0.610 1.00 0.00 C ATOM 4 O ASP A 1 9.048 -2.396 -1.405 1.00 0.00 O ATOM 5 CB ASP A 1 10.707 0.358 -1.601 1.00 0.00 C ATOM 6 CG ASP A 1 11.894 1.325 -1.658 1.00 0.00 C ATOM 7 OD1 ASP A 1 12.579 1.370 -2.705 1.00 0.00 O ATOM 8 OD2 ASP A 1 12.121 2.046 -0.661 1.00 0.00 O ATOM 9 H1 ASP A 1 12.006 -2.795 -1.883 1.00 0.00 H ATOM 10 H2 ASP A 1 12.627 -1.350 -2.505 1.00 0.00 H ATOM 11 H3 ASP A 1 11.128 -1.924 -3.036 1.00 0.00 H ATOM 12 HA ASP A 1 11.776 -0.996 -0.301 1.00 0.00 H ATOM 13 HB2 ASP A 1 10.278 0.296 -2.590 1.00 0.00 H HETATM 14 N SEP A 2 9.658 -1.811 0.752 1.00 0.00 N HETATM 15 CA SEP A 2 8.501 -2.423 1.474 1.00 0.00 C HETATM 16 CB SEP A 2 8.986 -3.000 2.823 1.00 0.00 C HETATM 17 OG SEP A 2 9.982 -3.997 2.580 1.00 0.00 O HETATM 18 C SEP A 2 7.309 -1.430 1.689 1.00 0.00 C HETATM 19 O SEP A 2 6.141 -1.870 1.742 1.00 0.00 O HETATM 20 P SEP A 2 10.689 -4.751 3.816 1.00 0.00 P HETATM 21 O1P SEP A 2 12.296 -4.856 3.825 1.00 0.00 O HETATM 22 O2P SEP A 2 10.808 -5.960 2.760 1.00 0.00 O HETATM 23 O3P SEP A 2 9.886 -5.618 4.706 1.00 0.00 O HETATM 24 H SEP A 2 10.349 -1.373 1.291 1.00 0.00 H HETATM 25 HA SEP A 2 8.144 -3.242 0.865 1.00 0.00 H HETATM 26 HB2 SEP A 2 8.152 -3.444 3.346 1.00 0.00 H HETATM 27 HB3 SEP A 2 9.406 -2.205 3.421 1.00 0.00 H HETATM 28 HOP2 SEP A 2 11.007 -5.590 1.852 1.00 0.00 H HETATM 29 N SEP A 3 7.620 -0.084 1.744 1.00 0.00 N HETATM 30 CA SEP A 3 6.621 1.012 1.964 1.00 0.00 C HETATM 31 CB SEP A 3 7.330 2.248 2.565 1.00 0.00 C HETATM 32 OG SEP A 3 7.924 1.897 3.818 1.00 0.00 O HETATM 33 C SEP A 3 5.809 1.401 0.683 1.00 0.00 C HETATM 34 O SEP A 3 4.689 1.936 0.800 1.00 0.00 O HETATM 35 P SEP A 3 7.158 2.198 5.201 1.00 0.00 P HETATM 36 O1P SEP A 3 8.210 1.860 6.370 1.00 0.00 O HETATM 37 O2P SEP A 3 6.901 3.787 5.256 1.00 0.00 O HETATM 38 O3P SEP A 3 5.923 1.394 5.332 1.00 0.00 O HETATM 39 H SEP A 3 8.560 0.172 1.631 1.00 0.00 H HETATM 40 HA SEP A 3 5.919 0.645 2.686 1.00 0.00 H HETATM 41 HB2 SEP A 3 6.607 3.036 2.718 1.00 0.00 H HETATM 42 HB3 SEP A 3 8.096 2.588 1.882 1.00 0.00 H HETATM 43 HOP2 SEP A 3 6.019 3.998 4.836 1.00 0.00 H ATOM 44 N GLU A 4 6.368 1.059 -0.525 1.00 0.00 N ATOM 45 CA GLU A 4 5.704 1.230 -1.859 1.00 0.00 C ATOM 46 C GLU A 4 4.697 0.062 -2.164 1.00 0.00 C ATOM 47 O GLU A 4 3.649 0.290 -2.799 1.00 0.00 O ATOM 48 CB GLU A 4 6.790 1.361 -2.967 1.00 0.00 C ATOM 49 CG GLU A 4 6.481 2.396 -4.064 1.00 0.00 C ATOM 50 CD GLU A 4 7.551 2.474 -5.151 1.00 0.00 C ATOM 51 OE1 GLU A 4 8.497 3.281 -5.002 1.00 0.00 O ATOM 52 OE2 GLU A 4 7.436 1.740 -6.160 1.00 0.00 O ATOM 53 H GLU A 4 7.264 0.669 -0.506 1.00 0.00 H ATOM 54 HA GLU A 4 5.143 2.142 -1.816 1.00 0.00 H ATOM 55 HB2 GLU A 4 7.721 1.642 -2.499 1.00 0.00 H ATOM 56 HG2 GLU A 4 5.542 2.135 -4.529 1.00 0.00 H ATOM 57 N GLU A 5 5.019 -1.161 -1.620 1.00 0.00 N ATOM 58 CA GLU A 5 4.143 -2.387 -1.663 1.00 0.00 C ATOM 59 C GLU A 5 2.948 -2.299 -0.662 1.00 0.00 C ATOM 60 O GLU A 5 1.865 -2.841 -0.941 1.00 0.00 O ATOM 61 CB GLU A 5 4.974 -3.686 -1.397 1.00 0.00 C ATOM 62 CG GLU A 5 5.791 -4.224 -2.593 1.00 0.00 C ATOM 63 CD GLU A 5 5.132 -5.396 -3.333 1.00 0.00 C ATOM 64 OE1 GLU A 5 5.347 -6.562 -2.924 1.00 0.00 O ATOM 65 OE2 GLU A 5 4.419 -5.145 -4.331 1.00 0.00 O ATOM 66 H GLU A 5 5.881 -1.229 -1.165 1.00 0.00 H ATOM 67 HA GLU A 5 3.734 -2.439 -2.651 1.00 0.00 H ATOM 68 HB2 GLU A 5 5.662 -3.491 -0.590 1.00 0.00 H ATOM 69 HG2 GLU A 5 5.937 -3.421 -3.296 1.00 0.00 H ATOM 70 N LYS A 6 3.172 -1.558 0.476 1.00 0.00 N ATOM 71 CA LYS A 6 2.135 -1.221 1.501 1.00 0.00 C ATOM 72 C LYS A 6 1.224 -0.015 1.086 1.00 0.00 C ATOM 73 O LYS A 6 0.057 0.042 1.507 1.00 0.00 O ATOM 74 CB LYS A 6 2.782 -0.971 2.899 1.00 0.00 C ATOM 75 CG LYS A 6 3.150 -2.244 3.672 1.00 0.00 C ATOM 76 CD LYS A 6 3.764 -1.929 5.030 1.00 0.00 C ATOM 77 CE LYS A 6 4.125 -3.202 5.786 1.00 0.00 C ATOM 78 NZ LYS A 6 4.770 -2.908 7.095 1.00 0.00 N ATOM 79 H LYS A 6 4.082 -1.243 0.630 1.00 0.00 H ATOM 80 HA LYS A 6 1.508 -2.080 1.573 1.00 0.00 H ATOM 81 HB2 LYS A 6 3.683 -0.392 2.764 1.00 0.00 H ATOM 82 HG2 LYS A 6 2.259 -2.834 3.821 1.00 0.00 H ATOM 83 HD2 LYS A 6 4.658 -1.344 4.883 1.00 0.00 H ATOM 84 HE2 LYS A 6 3.224 -3.771 5.959 1.00 0.00 H ATOM 85 HZ1 LYS A 6 5.658 -2.389 6.946 1.00 0.00 H ATOM 86 HZ2 LYS A 6 4.979 -3.795 7.598 1.00 0.00 H ATOM 87 HZ3 LYS A 6 4.138 -2.328 7.683 1.00 0.00 H ATOM 88 N PHE A 7 1.773 0.903 0.214 1.00 0.00 N ATOM 89 CA PHE A 7 1.043 2.076 -0.385 1.00 0.00 C ATOM 90 C PHE A 7 0.120 1.672 -1.597 1.00 0.00 C ATOM 91 O PHE A 7 -0.915 2.327 -1.831 1.00 0.00 O ATOM 92 CB PHE A 7 2.091 3.178 -0.803 1.00 0.00 C ATOM 93 CG PHE A 7 1.603 4.640 -0.879 1.00 0.00 C ATOM 94 CD1 PHE A 7 1.542 5.449 0.261 1.00 0.00 C ATOM 95 CD2 PHE A 7 1.238 5.206 -2.102 1.00 0.00 C ATOM 96 CE1 PHE A 7 1.123 6.767 0.178 1.00 0.00 C ATOM 97 CE2 PHE A 7 0.816 6.522 -2.183 1.00 0.00 C ATOM 98 CZ PHE A 7 0.760 7.302 -1.043 1.00 0.00 C ATOM 99 H PHE A 7 2.719 0.783 -0.020 1.00 0.00 H ATOM 100 HA PHE A 7 0.414 2.478 0.383 1.00 0.00 H ATOM 101 HB2 PHE A 7 2.906 3.154 -0.098 1.00 0.00 H ATOM 102 HD1 PHE A 7 1.821 5.035 1.219 1.00 0.00 H ATOM 103 HD2 PHE A 7 1.282 4.601 -2.995 1.00 0.00 H ATOM 104 HE1 PHE A 7 1.081 7.377 1.068 1.00 0.00 H ATOM 105 HE2 PHE A 7 0.533 6.941 -3.137 1.00 0.00 H ATOM 106 HZ PHE A 7 0.433 8.328 -1.107 1.00 0.00 H ATOM 107 N LEU A 8 0.502 0.564 -2.310 1.00 0.00 N ATOM 108 CA LEU A 8 -0.261 -0.016 -3.460 1.00 0.00 C ATOM 109 C LEU A 8 -1.305 -1.079 -3.002 1.00 0.00 C ATOM 110 O LEU A 8 -2.320 -1.303 -3.692 1.00 0.00 O ATOM 111 CB LEU A 8 0.700 -0.597 -4.563 1.00 0.00 C ATOM 112 CG LEU A 8 1.409 0.423 -5.506 1.00 0.00 C ATOM 113 CD1 LEU A 8 2.680 -0.187 -6.082 1.00 0.00 C ATOM 114 CD2 LEU A 8 0.503 0.868 -6.665 1.00 0.00 C ATOM 115 H LEU A 8 1.311 0.117 -2.031 1.00 0.00 H ATOM 116 HA LEU A 8 -0.804 0.797 -3.885 1.00 0.00 H ATOM 117 HB2 LEU A 8 1.468 -1.169 -4.063 1.00 0.00 H ATOM 118 HG LEU A 8 1.687 1.299 -4.937 1.00 0.00 H ATOM 119 HD11 LEU A 8 3.337 -0.475 -5.275 1.00 0.00 H ATOM 120 HD12 LEU A 8 2.428 -1.057 -6.671 1.00 0.00 H ATOM 121 HD13 LEU A 8 3.177 0.540 -6.710 1.00 0.00 H ATOM 122 HD21 LEU A 8 0.251 0.012 -7.275 1.00 0.00 H ATOM 123 HD22 LEU A 8 -0.401 1.303 -6.266 1.00 0.00 H ATOM 124 HD23 LEU A 8 1.021 1.600 -7.265 1.00 0.00 H ATOM 125 N ARG A 9 -1.046 -1.688 -1.795 1.00 0.00 N ATOM 126 CA ARG A 9 -2.026 -2.513 -1.020 1.00 0.00 C ATOM 127 C ARG A 9 -3.066 -1.606 -0.261 1.00 0.00 C ATOM 128 O ARG A 9 -4.218 -2.032 -0.049 1.00 0.00 O ATOM 129 CB ARG A 9 -1.243 -3.458 -0.053 1.00 0.00 C ATOM 130 CG ARG A 9 -1.949 -4.777 0.335 1.00 0.00 C ATOM 131 CD ARG A 9 -1.011 -5.769 1.048 1.00 0.00 C ATOM 132 NE ARG A 9 -0.656 -5.368 2.444 1.00 0.00 N ATOM 133 CZ ARG A 9 0.089 -6.086 3.338 1.00 0.00 C ATOM 134 NH1 ARG A 9 0.598 -7.300 3.064 1.00 0.00 N ATOM 135 NH2 ARG A 9 0.328 -5.562 4.532 1.00 0.00 N ATOM 136 H ARG A 9 -0.145 -1.576 -1.423 1.00 0.00 H ATOM 137 HA ARG A 9 -2.567 -3.107 -1.728 1.00 0.00 H ATOM 138 HB2 ARG A 9 -0.305 -3.716 -0.518 1.00 0.00 H ATOM 139 HG2 ARG A 9 -2.773 -4.548 0.994 1.00 0.00 H ATOM 140 HD2 ARG A 9 -1.496 -6.732 1.081 1.00 0.00 H ATOM 141 HE ARG A 9 -0.988 -4.495 2.738 1.00 0.00 H ATOM 142 HH11 ARG A 9 0.437 -7.718 2.169 1.00 0.00 H ATOM 143 HH12 ARG A 9 1.134 -7.785 3.755 1.00 0.00 H ATOM 144 HH21 ARG A 9 -0.033 -4.658 4.764 1.00 0.00 H ATOM 145 HH22 ARG A 9 0.869 -6.073 5.201 1.00 0.00 H ATOM 146 N ARG A 10 -2.648 -0.332 0.068 1.00 0.00 N ATOM 147 CA ARG A 10 -3.530 0.707 0.692 1.00 0.00 C ATOM 148 C ARG A 10 -4.517 1.368 -0.322 1.00 0.00 C ATOM 149 O ARG A 10 -5.670 1.662 0.045 1.00 0.00 O ATOM 150 CB ARG A 10 -2.704 1.789 1.443 1.00 0.00 C ATOM 151 CG ARG A 10 -2.873 1.754 2.970 1.00 0.00 C ATOM 152 CD ARG A 10 -2.136 2.895 3.688 1.00 0.00 C ATOM 153 NE ARG A 10 -0.701 2.595 3.962 1.00 0.00 N ATOM 154 CZ ARG A 10 0.070 3.124 4.963 1.00 0.00 C ATOM 155 NH1 ARG A 10 -0.400 3.997 5.870 1.00 0.00 N ATOM 156 NH2 ARG A 10 1.341 2.759 5.049 1.00 0.00 N ATOM 157 H ARG A 10 -1.710 -0.098 -0.123 1.00 0.00 H ATOM 158 HA ARG A 10 -4.123 0.187 1.406 1.00 0.00 H ATOM 159 HB2 ARG A 10 -1.658 1.648 1.215 1.00 0.00 H ATOM 160 HG2 ARG A 10 -3.924 1.827 3.203 1.00 0.00 H ATOM 161 HD2 ARG A 10 -2.188 3.778 3.069 1.00 0.00 H ATOM 162 HE ARG A 10 -0.270 1.956 3.355 1.00 0.00 H ATOM 163 HH11 ARG A 10 -1.356 4.290 5.834 1.00 0.00 H ATOM 164 HH12 ARG A 10 0.204 4.350 6.585 1.00 0.00 H ATOM 165 HH21 ARG A 10 1.720 2.108 4.390 1.00 0.00 H ATOM 166 HH22 ARG A 10 1.920 3.133 5.773 1.00 0.00 H ATOM 167 N ILE A 11 -4.048 1.560 -1.595 1.00 0.00 N ATOM 168 CA ILE A 11 -4.899 2.032 -2.729 1.00 0.00 C ATOM 169 C ILE A 11 -5.543 0.834 -3.565 1.00 0.00 C ATOM 170 O ILE A 11 -6.345 1.071 -4.490 1.00 0.00 O ATOM 171 CB ILE A 11 -4.147 3.189 -3.590 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.128 4.110 -4.398 1.00 0.00 C ATOM 173 CG2 ILE A 11 -3.031 2.675 -4.535 1.00 0.00 C ATOM 174 CD1 ILE A 11 -6.074 4.975 -3.555 1.00 0.00 C ATOM 175 H ILE A 11 -3.100 1.377 -1.761 1.00 0.00 H ATOM 176 HA ILE A 11 -5.737 2.520 -2.247 1.00 0.00 H ATOM 177 HB ILE A 11 -3.648 3.815 -2.863 1.00 0.00 H ATOM 178 HG12 ILE A 11 -4.546 4.780 -5.009 1.00 0.00 H ATOM 179 HG21 ILE A 11 -3.458 2.001 -5.263 1.00 0.00 H ATOM 180 HG22 ILE A 11 -2.578 3.513 -5.043 1.00 0.00 H ATOM 181 HG23 ILE A 11 -2.283 2.154 -3.957 1.00 0.00 H ATOM 182 HD11 ILE A 11 -5.503 5.705 -3.003 1.00 0.00 H ATOM 183 HD12 ILE A 11 -6.780 5.474 -4.201 1.00 0.00 H ATOM 184 HD13 ILE A 11 -6.608 4.332 -2.859 1.00 0.00 H ATOM 185 N GLY A 12 -5.169 -0.428 -3.192 1.00 0.00 N ATOM 186 CA GLY A 12 -5.869 -1.663 -3.624 1.00 0.00 C ATOM 187 C GLY A 12 -7.074 -2.047 -2.742 1.00 0.00 C ATOM 188 O GLY A 12 -8.003 -2.709 -3.232 1.00 0.00 O ATOM 189 H GLY A 12 -4.372 -0.519 -2.625 1.00 0.00 H ATOM 190 HA2 GLY A 12 -6.212 -1.531 -4.638 1.00 0.00 H ATOM 191 HA3 GLY A 12 -5.163 -2.478 -3.598 1.00 0.00 H ATOM 192 N ARG A 13 -7.031 -1.619 -1.436 1.00 0.00 N ATOM 193 CA ARG A 13 -8.104 -1.885 -0.426 1.00 0.00 C ATOM 194 C ARG A 13 -9.174 -0.755 -0.336 1.00 0.00 C ATOM 195 O ARG A 13 -10.376 -1.053 -0.211 1.00 0.00 O ATOM 196 CB ARG A 13 -7.486 -2.176 0.968 1.00 0.00 C ATOM 197 CG ARG A 13 -7.270 -3.660 1.266 1.00 0.00 C ATOM 198 CD ARG A 13 -6.622 -3.877 2.629 1.00 0.00 C ATOM 199 NE ARG A 13 -6.565 -5.313 2.998 1.00 0.00 N ATOM 200 CZ ARG A 13 -5.811 -5.879 3.989 1.00 0.00 C ATOM 201 NH1 ARG A 13 -4.982 -5.172 4.776 1.00 0.00 N ATOM 202 NH2 ARG A 13 -5.896 -7.188 4.182 1.00 0.00 N ATOM 203 H ARG A 13 -6.249 -1.082 -1.152 1.00 0.00 H ATOM 204 HA ARG A 13 -8.610 -2.767 -0.754 1.00 0.00 H ATOM 205 HB2 ARG A 13 -6.530 -1.678 1.032 1.00 0.00 H ATOM 206 HG2 ARG A 13 -8.227 -4.161 1.251 1.00 0.00 H ATOM 207 HD2 ARG A 13 -5.617 -3.484 2.601 1.00 0.00 H ATOM 208 HE ARG A 13 -7.137 -5.913 2.475 1.00 0.00 H ATOM 209 HH11 ARG A 13 -4.895 -4.183 4.651 1.00 0.00 H ATOM 210 HH12 ARG A 13 -4.453 -5.635 5.486 1.00 0.00 H ATOM 211 HH21 ARG A 13 -6.502 -7.740 3.611 1.00 0.00 H ATOM 212 HH22 ARG A 13 -5.353 -7.622 4.901 1.00 0.00 H ATOM 213 N PHE A 14 -8.711 0.534 -0.422 1.00 0.00 N ATOM 214 CA PHE A 14 -9.574 1.755 -0.340 1.00 0.00 C ATOM 215 C PHE A 14 -10.077 2.232 -1.752 1.00 0.00 C ATOM 216 O PHE A 14 -11.257 2.612 -1.873 1.00 0.00 O ATOM 217 CB PHE A 14 -8.797 2.891 0.438 1.00 0.00 C ATOM 218 CG PHE A 14 -9.622 4.050 1.034 1.00 0.00 C ATOM 219 CD1 PHE A 14 -10.306 3.913 2.247 1.00 0.00 C ATOM 220 CD2 PHE A 14 -9.684 5.284 0.384 1.00 0.00 C ATOM 221 CE1 PHE A 14 -11.027 4.968 2.782 1.00 0.00 C ATOM 222 CE2 PHE A 14 -10.407 6.337 0.919 1.00 0.00 C ATOM 223 CZ PHE A 14 -11.078 6.177 2.117 1.00 0.00 C ATOM 224 H PHE A 14 -7.746 0.656 -0.539 1.00 0.00 H ATOM 225 HA PHE A 14 -10.444 1.483 0.241 1.00 0.00 H ATOM 226 HB2 PHE A 14 -8.267 2.434 1.259 1.00 0.00 H ATOM 227 HD1 PHE A 14 -10.272 2.967 2.770 1.00 0.00 H ATOM 228 HD2 PHE A 14 -9.162 5.415 -0.552 1.00 0.00 H ATOM 229 HE1 PHE A 14 -11.550 4.844 3.719 1.00 0.00 H ATOM 230 HE2 PHE A 14 -10.448 7.283 0.400 1.00 0.00 H ATOM 231 HZ PHE A 14 -11.641 6.998 2.534 1.00 0.00 H ATOM 232 N GLY A 15 -9.175 2.189 -2.792 1.00 0.00 N ATOM 233 CA GLY A 15 -9.496 2.629 -4.170 1.00 0.00 C ATOM 234 C GLY A 15 -10.005 1.513 -5.085 1.00 0.00 C ATOM 235 O GLY A 15 -9.174 0.895 -5.786 1.00 0.00 O ATOM 236 OXT GLY A 15 -11.227 1.259 -5.090 1.00 0.00 O ATOM 237 H GLY A 15 -8.275 1.847 -2.606 1.00 0.00 H ATOM 238 HA2 GLY A 15 -10.252 3.395 -4.114 1.00 0.00 H ATOM 239 HA3 GLY A 15 -8.605 3.055 -4.608 1.00 0.00 H TER 240 GLY A 15 ENDMDL MODEL 3 ATOM 1 N ASP A 1 10.768 -0.243 -1.050 1.00 0.00 N ATOM 2 CA ASP A 1 10.815 -1.737 -1.131 1.00 0.00 C ATOM 3 C ASP A 1 9.656 -2.379 -0.324 1.00 0.00 C ATOM 4 O ASP A 1 8.884 -3.168 -0.896 1.00 0.00 O ATOM 5 CB ASP A 1 12.206 -2.277 -0.677 1.00 0.00 C ATOM 6 CG ASP A 1 13.338 -2.023 -1.678 1.00 0.00 C ATOM 7 OD1 ASP A 1 13.986 -0.956 -1.586 1.00 0.00 O ATOM 8 OD2 ASP A 1 13.577 -2.895 -2.543 1.00 0.00 O ATOM 9 H1 ASP A 1 9.871 0.108 -1.443 1.00 0.00 H ATOM 10 H2 ASP A 1 11.556 0.170 -1.587 1.00 0.00 H ATOM 11 H3 ASP A 1 10.843 0.061 -0.058 1.00 0.00 H ATOM 12 HA ASP A 1 10.673 -2.000 -2.171 1.00 0.00 H ATOM 13 HB2 ASP A 1 12.475 -1.803 0.255 1.00 0.00 H HETATM 14 N SEP A 2 9.550 -2.038 1.011 1.00 0.00 N HETATM 15 CA SEP A 2 8.426 -2.448 1.907 1.00 0.00 C HETATM 16 CB SEP A 2 8.961 -2.744 3.325 1.00 0.00 C HETATM 17 OG SEP A 2 9.914 -3.808 3.268 1.00 0.00 O HETATM 18 C SEP A 2 7.281 -1.386 1.963 1.00 0.00 C HETATM 19 O SEP A 2 6.098 -1.754 2.118 1.00 0.00 O HETATM 20 P SEP A 2 10.724 -4.242 4.590 1.00 0.00 P HETATM 21 O1P SEP A 2 12.330 -4.304 4.508 1.00 0.00 O HETATM 22 O2P SEP A 2 10.818 -5.659 3.832 1.00 0.00 O HETATM 23 O3P SEP A 2 10.014 -4.900 5.710 1.00 0.00 O HETATM 24 H SEP A 2 10.261 -1.487 1.397 1.00 0.00 H HETATM 25 HA SEP A 2 8.015 -3.360 1.499 1.00 0.00 H HETATM 26 HB2 SEP A 2 8.140 -3.032 3.965 1.00 0.00 H HETATM 27 HB3 SEP A 2 9.432 -1.856 3.721 1.00 0.00 H HETATM 28 HOP2 SEP A 2 11.040 -5.509 2.868 1.00 0.00 H HETATM 29 N SEP A 3 7.657 -0.071 1.774 1.00 0.00 N HETATM 30 CA SEP A 3 6.739 1.108 1.855 1.00 0.00 C HETATM 31 CB SEP A 3 7.561 2.370 2.212 1.00 0.00 C HETATM 32 OG SEP A 3 6.690 3.494 2.371 1.00 0.00 O HETATM 33 C SEP A 3 5.898 1.340 0.559 1.00 0.00 C HETATM 34 O SEP A 3 4.790 1.902 0.636 1.00 0.00 O HETATM 35 P SEP A 3 7.120 4.727 3.312 1.00 0.00 P HETATM 36 O1P SEP A 3 8.612 5.135 2.870 1.00 0.00 O HETATM 37 O2P SEP A 3 6.167 5.963 2.915 1.00 0.00 O HETATM 38 O3P SEP A 3 7.058 4.365 4.747 1.00 0.00 O HETATM 39 H SEP A 3 8.598 0.105 1.573 1.00 0.00 H HETATM 40 HA SEP A 3 6.053 0.914 2.654 1.00 0.00 H HETATM 41 HB2 SEP A 3 8.266 2.573 1.419 1.00 0.00 H HETATM 42 HB3 SEP A 3 8.098 2.193 3.133 1.00 0.00 H HETATM 43 HOP2 SEP A 3 6.729 6.759 2.701 1.00 0.00 H ATOM 44 N GLU A 4 6.418 0.831 -0.605 1.00 0.00 N ATOM 45 CA GLU A 4 5.744 0.890 -1.941 1.00 0.00 C ATOM 46 C GLU A 4 4.657 -0.234 -2.092 1.00 0.00 C ATOM 47 O GLU A 4 3.583 0.015 -2.675 1.00 0.00 O ATOM 48 CB GLU A 4 6.829 0.824 -3.077 1.00 0.00 C ATOM 49 CG GLU A 4 6.452 1.454 -4.449 1.00 0.00 C ATOM 50 CD GLU A 4 6.651 2.974 -4.536 1.00 0.00 C ATOM 51 OE1 GLU A 4 7.757 3.410 -4.929 1.00 0.00 O ATOM 52 OE2 GLU A 4 5.695 3.719 -4.222 1.00 0.00 O ATOM 53 H GLU A 4 7.290 0.395 -0.550 1.00 0.00 H ATOM 54 HA GLU A 4 5.246 1.836 -1.997 1.00 0.00 H ATOM 55 HB2 GLU A 4 7.717 1.325 -2.724 1.00 0.00 H ATOM 56 HG2 GLU A 4 7.061 0.994 -5.211 1.00 0.00 H ATOM 57 N GLU A 5 4.938 -1.431 -1.478 1.00 0.00 N ATOM 58 CA GLU A 5 4.013 -2.614 -1.434 1.00 0.00 C ATOM 59 C GLU A 5 2.846 -2.422 -0.418 1.00 0.00 C ATOM 60 O GLU A 5 1.717 -2.884 -0.675 1.00 0.00 O ATOM 61 CB GLU A 5 4.796 -3.940 -1.136 1.00 0.00 C ATOM 62 CG GLU A 5 5.633 -4.517 -2.309 1.00 0.00 C ATOM 63 CD GLU A 5 4.845 -5.395 -3.294 1.00 0.00 C ATOM 64 OE1 GLU A 5 4.304 -4.847 -4.281 1.00 0.00 O ATOM 65 OE2 GLU A 5 4.785 -6.628 -3.082 1.00 0.00 O ATOM 66 H GLU A 5 5.804 -1.506 -1.030 1.00 0.00 H ATOM 67 HA GLU A 5 3.576 -2.693 -2.409 1.00 0.00 H ATOM 68 HB2 GLU A 5 5.472 -3.758 -0.313 1.00 0.00 H ATOM 69 HG2 GLU A 5 6.057 -3.694 -2.863 1.00 0.00 H ATOM 70 N LYS A 6 3.136 -1.673 0.700 1.00 0.00 N ATOM 71 CA LYS A 6 2.132 -1.230 1.721 1.00 0.00 C ATOM 72 C LYS A 6 1.211 -0.070 1.228 1.00 0.00 C ATOM 73 O LYS A 6 0.021 -0.063 1.562 1.00 0.00 O ATOM 74 CB LYS A 6 2.815 -0.846 3.067 1.00 0.00 C ATOM 75 CG LYS A 6 3.113 -2.023 4.000 1.00 0.00 C ATOM 76 CD LYS A 6 3.725 -1.551 5.324 1.00 0.00 C ATOM 77 CE LYS A 6 3.980 -2.698 6.309 1.00 0.00 C ATOM 78 NZ LYS A 6 5.239 -3.454 6.018 1.00 0.00 N ATOM 79 H LYS A 6 4.068 -1.429 0.843 1.00 0.00 H ATOM 80 HA LYS A 6 1.506 -2.074 1.898 1.00 0.00 H ATOM 81 HB2 LYS A 6 3.748 -0.348 2.850 1.00 0.00 H ATOM 82 HG2 LYS A 6 2.193 -2.548 4.206 1.00 0.00 H ATOM 83 HD2 LYS A 6 4.664 -1.063 5.115 1.00 0.00 H ATOM 84 HE2 LYS A 6 4.048 -2.286 7.305 1.00 0.00 H ATOM 85 HZ1 LYS A 6 6.057 -2.813 6.060 1.00 0.00 H ATOM 86 HZ2 LYS A 6 5.189 -3.877 5.068 1.00 0.00 H ATOM 87 HZ3 LYS A 6 5.370 -4.213 6.716 1.00 0.00 H ATOM 88 N PHE A 7 1.771 0.857 0.375 1.00 0.00 N ATOM 89 CA PHE A 7 1.037 2.029 -0.226 1.00 0.00 C ATOM 90 C PHE A 7 0.073 1.626 -1.399 1.00 0.00 C ATOM 91 O PHE A 7 -0.985 2.262 -1.571 1.00 0.00 O ATOM 92 CB PHE A 7 2.076 3.109 -0.701 1.00 0.00 C ATOM 93 CG PHE A 7 1.691 4.588 -0.503 1.00 0.00 C ATOM 94 CD1 PHE A 7 1.960 5.248 0.700 1.00 0.00 C ATOM 95 CD2 PHE A 7 1.089 5.319 -1.528 1.00 0.00 C ATOM 96 CE1 PHE A 7 1.633 6.583 0.871 1.00 0.00 C ATOM 97 CE2 PHE A 7 0.765 6.657 -1.357 1.00 0.00 C ATOM 98 CZ PHE A 7 1.036 7.286 -0.158 1.00 0.00 C ATOM 99 H PHE A 7 2.719 0.745 0.155 1.00 0.00 H ATOM 100 HA PHE A 7 0.439 2.454 0.555 1.00 0.00 H ATOM 101 HB2 PHE A 7 3.000 2.951 -0.168 1.00 0.00 H ATOM 102 HD1 PHE A 7 2.428 4.704 1.509 1.00 0.00 H ATOM 103 HD2 PHE A 7 0.871 4.832 -2.466 1.00 0.00 H ATOM 104 HE1 PHE A 7 1.845 7.075 1.810 1.00 0.00 H ATOM 105 HE2 PHE A 7 0.300 7.207 -2.162 1.00 0.00 H ATOM 106 HZ PHE A 7 0.784 8.328 -0.025 1.00 0.00 H ATOM 107 N LEU A 8 0.431 0.522 -2.135 1.00 0.00 N ATOM 108 CA LEU A 8 -0.339 -0.008 -3.302 1.00 0.00 C ATOM 109 C LEU A 8 -1.427 -1.040 -2.887 1.00 0.00 C ATOM 110 O LEU A 8 -2.456 -1.173 -3.579 1.00 0.00 O ATOM 111 CB LEU A 8 0.605 -0.599 -4.412 1.00 0.00 C ATOM 112 CG LEU A 8 1.280 0.408 -5.393 1.00 0.00 C ATOM 113 CD1 LEU A 8 2.579 -0.171 -5.936 1.00 0.00 C ATOM 114 CD2 LEU A 8 0.369 0.759 -6.577 1.00 0.00 C ATOM 115 H LEU A 8 1.221 0.042 -1.854 1.00 0.00 H ATOM 116 HA LEU A 8 -0.848 0.833 -3.712 1.00 0.00 H ATOM 117 HB2 LEU A 8 1.389 -1.153 -3.918 1.00 0.00 H ATOM 118 HG LEU A 8 1.514 1.320 -4.862 1.00 0.00 H ATOM 119 HD11 LEU A 8 3.258 -0.361 -5.119 1.00 0.00 H ATOM 120 HD12 LEU A 8 2.373 -1.093 -6.457 1.00 0.00 H ATOM 121 HD13 LEU A 8 3.028 0.536 -6.619 1.00 0.00 H ATOM 122 HD21 LEU A 8 -0.542 1.208 -6.210 1.00 0.00 H ATOM 123 HD22 LEU A 8 0.876 1.453 -7.229 1.00 0.00 H ATOM 124 HD23 LEU A 8 0.131 -0.142 -7.126 1.00 0.00 H ATOM 125 N ARG A 9 -1.196 -1.727 -1.719 1.00 0.00 N ATOM 126 CA ARG A 9 -2.218 -2.588 -1.032 1.00 0.00 C ATOM 127 C ARG A 9 -3.215 -1.755 -0.166 1.00 0.00 C ATOM 128 O ARG A 9 -4.362 -2.197 0.051 1.00 0.00 O ATOM 129 CB ARG A 9 -1.547 -3.708 -0.183 1.00 0.00 C ATOM 130 CG ARG A 9 -1.052 -4.910 -0.993 1.00 0.00 C ATOM 131 CD ARG A 9 -0.342 -5.930 -0.111 1.00 0.00 C ATOM 132 NE ARG A 9 0.242 -7.039 -0.904 1.00 0.00 N ATOM 133 CZ ARG A 9 0.993 -8.077 -0.433 1.00 0.00 C ATOM 134 NH1 ARG A 9 1.298 -8.234 0.866 1.00 0.00 N ATOM 135 NH2 ARG A 9 1.445 -8.976 -1.298 1.00 0.00 N ATOM 136 H ARG A 9 -0.304 -1.652 -1.318 1.00 0.00 H ATOM 137 HA ARG A 9 -2.789 -3.053 -1.811 1.00 0.00 H ATOM 138 HB2 ARG A 9 -0.702 -3.287 0.341 1.00 0.00 H ATOM 139 HG2 ARG A 9 -1.899 -5.387 -1.461 1.00 0.00 H ATOM 140 HD2 ARG A 9 0.446 -5.431 0.432 1.00 0.00 H ATOM 141 HE ARG A 9 0.070 -7.013 -1.870 1.00 0.00 H ATOM 142 HH11 ARG A 9 0.969 -7.572 1.539 1.00 0.00 H ATOM 143 HH12 ARG A 9 1.854 -9.011 1.159 1.00 0.00 H ATOM 144 HH21 ARG A 9 1.233 -8.883 -2.270 1.00 0.00 H ATOM 145 HH22 ARG A 9 1.995 -9.747 -0.978 1.00 0.00 H ATOM 146 N ARG A 10 -2.782 -0.514 0.258 1.00 0.00 N ATOM 147 CA ARG A 10 -3.658 0.473 0.979 1.00 0.00 C ATOM 148 C ARG A 10 -4.623 1.243 0.028 1.00 0.00 C ATOM 149 O ARG A 10 -5.763 1.554 0.427 1.00 0.00 O ATOM 150 CB ARG A 10 -2.839 1.465 1.848 1.00 0.00 C ATOM 151 CG ARG A 10 -2.606 1.003 3.296 1.00 0.00 C ATOM 152 CD ARG A 10 -1.678 1.946 4.070 1.00 0.00 C ATOM 153 NE ARG A 10 -2.387 3.121 4.657 1.00 0.00 N ATOM 154 CZ ARG A 10 -1.809 4.226 5.215 1.00 0.00 C ATOM 155 NH1 ARG A 10 -0.480 4.400 5.293 1.00 0.00 N ATOM 156 NH2 ARG A 10 -2.597 5.177 5.701 1.00 0.00 N ATOM 157 H ARG A 10 -1.845 -0.266 0.071 1.00 0.00 H ATOM 158 HA ARG A 10 -4.265 -0.112 1.629 1.00 0.00 H ATOM 159 HB2 ARG A 10 -1.875 1.615 1.385 1.00 0.00 H ATOM 160 HG2 ARG A 10 -3.558 0.963 3.804 1.00 0.00 H ATOM 161 HD2 ARG A 10 -1.214 1.389 4.868 1.00 0.00 H ATOM 162 HE ARG A 10 -3.365 3.088 4.640 1.00 0.00 H ATOM 163 HH11 ARG A 10 0.137 3.701 4.933 1.00 0.00 H ATOM 164 HH12 ARG A 10 -0.108 5.231 5.707 1.00 0.00 H ATOM 165 HH21 ARG A 10 -3.590 5.076 5.652 1.00 0.00 H ATOM 166 HH22 ARG A 10 -2.197 5.992 6.117 1.00 0.00 H ATOM 167 N ILE A 11 -4.163 1.496 -1.242 1.00 0.00 N ATOM 168 CA ILE A 11 -5.025 2.047 -2.336 1.00 0.00 C ATOM 169 C ILE A 11 -5.742 0.903 -3.185 1.00 0.00 C ATOM 170 O ILE A 11 -6.620 1.194 -4.020 1.00 0.00 O ATOM 171 CB ILE A 11 -4.250 3.191 -3.201 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.214 4.127 -4.014 1.00 0.00 C ATOM 173 CG2 ILE A 11 -3.151 2.648 -4.147 1.00 0.00 C ATOM 174 CD1 ILE A 11 -6.092 5.062 -3.176 1.00 0.00 C ATOM 175 H ILE A 11 -3.217 1.312 -1.431 1.00 0.00 H ATOM 176 HA ILE A 11 -5.826 2.554 -1.814 1.00 0.00 H ATOM 177 HB ILE A 11 -3.736 3.811 -2.480 1.00 0.00 H ATOM 178 HG12 ILE A 11 -4.624 4.744 -4.673 1.00 0.00 H ATOM 179 HG21 ILE A 11 -2.402 2.127 -3.569 1.00 0.00 H ATOM 180 HG22 ILE A 11 -3.593 1.966 -4.859 1.00 0.00 H ATOM 181 HG23 ILE A 11 -2.690 3.470 -4.673 1.00 0.00 H ATOM 182 HD11 ILE A 11 -6.770 5.598 -3.822 1.00 0.00 H ATOM 183 HD12 ILE A 11 -6.660 4.468 -2.467 1.00 0.00 H ATOM 184 HD13 ILE A 11 -5.468 5.761 -2.640 1.00 0.00 H ATOM 185 N GLY A 12 -5.344 -0.376 -2.920 1.00 0.00 N ATOM 186 CA GLY A 12 -6.117 -1.575 -3.327 1.00 0.00 C ATOM 187 C GLY A 12 -7.236 -1.966 -2.328 1.00 0.00 C ATOM 188 O GLY A 12 -8.148 -2.720 -2.699 1.00 0.00 O ATOM 189 H GLY A 12 -4.491 -0.504 -2.450 1.00 0.00 H ATOM 190 HA2 GLY A 12 -6.569 -1.382 -4.286 1.00 0.00 H ATOM 191 HA3 GLY A 12 -5.435 -2.407 -3.428 1.00 0.00 H ATOM 192 N ARG A 13 -7.136 -1.440 -1.056 1.00 0.00 N ATOM 193 CA ARG A 13 -8.173 -1.599 0.019 1.00 0.00 C ATOM 194 C ARG A 13 -9.213 -0.434 0.057 1.00 0.00 C ATOM 195 O ARG A 13 -10.383 -0.664 0.419 1.00 0.00 O ATOM 196 CB ARG A 13 -7.504 -1.781 1.411 1.00 0.00 C ATOM 197 CG ARG A 13 -7.178 -3.235 1.772 1.00 0.00 C ATOM 198 CD ARG A 13 -6.520 -3.345 3.143 1.00 0.00 C ATOM 199 NE ARG A 13 -6.167 -4.746 3.491 1.00 0.00 N ATOM 200 CZ ARG A 13 -5.581 -5.175 4.651 1.00 0.00 C ATOM 201 NH1 ARG A 13 -5.267 -4.349 5.662 1.00 0.00 N ATOM 202 NH2 ARG A 13 -5.314 -6.468 4.793 1.00 0.00 N ATOM 203 H ARG A 13 -6.325 -0.918 -0.839 1.00 0.00 H ATOM 204 HA ARG A 13 -8.712 -2.496 -0.212 1.00 0.00 H ATOM 205 HB2 ARG A 13 -6.582 -1.219 1.426 1.00 0.00 H ATOM 206 HG2 ARG A 13 -8.093 -3.807 1.777 1.00 0.00 H ATOM 207 HD2 ARG A 13 -5.619 -2.750 3.146 1.00 0.00 H ATOM 208 HE ARG A 13 -6.372 -5.424 2.814 1.00 0.00 H ATOM 209 HH11 ARG A 13 -5.460 -3.369 5.586 1.00 0.00 H ATOM 210 HH12 ARG A 13 -4.844 -4.711 6.491 1.00 0.00 H ATOM 211 HH21 ARG A 13 -5.543 -7.110 4.061 1.00 0.00 H ATOM 212 HH22 ARG A 13 -4.878 -6.800 5.631 1.00 0.00 H ATOM 213 N PHE A 14 -8.764 0.802 -0.338 1.00 0.00 N ATOM 214 CA PHE A 14 -9.599 2.045 -0.369 1.00 0.00 C ATOM 215 C PHE A 14 -10.315 2.258 -1.757 1.00 0.00 C ATOM 216 O PHE A 14 -11.441 2.786 -1.782 1.00 0.00 O ATOM 217 CB PHE A 14 -8.699 3.277 0.031 1.00 0.00 C ATOM 218 CG PHE A 14 -9.397 4.515 0.632 1.00 0.00 C ATOM 219 CD1 PHE A 14 -9.683 4.596 1.999 1.00 0.00 C ATOM 220 CD2 PHE A 14 -9.731 5.607 -0.172 1.00 0.00 C ATOM 221 CE1 PHE A 14 -10.282 5.724 2.535 1.00 0.00 C ATOM 222 CE2 PHE A 14 -10.334 6.731 0.365 1.00 0.00 C ATOM 223 CZ PHE A 14 -10.608 6.790 1.717 1.00 0.00 C ATOM 224 H PHE A 14 -7.823 0.870 -0.609 1.00 0.00 H ATOM 225 HA PHE A 14 -10.367 1.927 0.383 1.00 0.00 H ATOM 226 HB2 PHE A 14 -7.979 2.943 0.760 1.00 0.00 H ATOM 227 HD1 PHE A 14 -9.434 3.765 2.641 1.00 0.00 H ATOM 228 HD2 PHE A 14 -9.518 5.566 -1.230 1.00 0.00 H ATOM 229 HE1 PHE A 14 -10.495 5.771 3.593 1.00 0.00 H ATOM 230 HE2 PHE A 14 -10.588 7.563 -0.275 1.00 0.00 H ATOM 231 HZ PHE A 14 -11.074 7.669 2.136 1.00 0.00 H ATOM 232 N GLY A 15 -9.649 1.828 -2.884 1.00 0.00 N ATOM 233 CA GLY A 15 -10.206 1.934 -4.254 1.00 0.00 C ATOM 234 C GLY A 15 -10.975 0.692 -4.707 1.00 0.00 C ATOM 235 O GLY A 15 -10.344 -0.224 -5.275 1.00 0.00 O ATOM 236 OXT GLY A 15 -12.206 0.644 -4.495 1.00 0.00 O ATOM 237 H GLY A 15 -8.759 1.433 -2.771 1.00 0.00 H ATOM 238 HA2 GLY A 15 -10.875 2.779 -4.287 1.00 0.00 H ATOM 239 HA3 GLY A 15 -9.394 2.110 -4.943 1.00 0.00 H TER 240 GLY A 15 ENDMDL MODEL 4 ATOM 1 N ASP A 1 11.642 -3.833 3.964 1.00 0.00 N ATOM 2 CA ASP A 1 10.221 -3.663 3.520 1.00 0.00 C ATOM 3 C ASP A 1 10.042 -2.370 2.686 1.00 0.00 C ATOM 4 O ASP A 1 10.577 -1.299 3.049 1.00 0.00 O ATOM 5 CB ASP A 1 9.259 -3.670 4.744 1.00 0.00 C ATOM 6 CG ASP A 1 9.018 -5.057 5.345 1.00 0.00 C ATOM 7 OD1 ASP A 1 8.071 -5.745 4.902 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.768 -5.445 6.269 1.00 0.00 O ATOM 9 H1 ASP A 1 11.737 -4.702 4.528 1.00 0.00 H ATOM 10 H2 ASP A 1 11.936 -3.023 4.544 1.00 0.00 H ATOM 11 H3 ASP A 1 12.270 -3.899 3.136 1.00 0.00 H ATOM 12 HA ASP A 1 9.976 -4.504 2.885 1.00 0.00 H ATOM 13 HB2 ASP A 1 9.673 -3.040 5.515 1.00 0.00 H HETATM 14 N SEP A 2 9.278 -2.501 1.549 1.00 0.00 N HETATM 15 CA SEP A 2 9.025 -1.399 0.573 1.00 0.00 C HETATM 16 CB SEP A 2 8.997 -1.959 -0.869 1.00 0.00 C HETATM 17 OG SEP A 2 10.250 -2.584 -1.156 1.00 0.00 O HETATM 18 C SEP A 2 7.730 -0.593 0.891 1.00 0.00 C HETATM 19 O SEP A 2 6.631 -1.172 1.085 1.00 0.00 O HETATM 20 P SEP A 2 10.623 -3.008 -2.665 1.00 0.00 P HETATM 21 O1P SEP A 2 11.624 -4.250 -2.877 1.00 0.00 O HETATM 22 O2P SEP A 2 11.988 -2.214 -2.345 1.00 0.00 O HETATM 23 O3P SEP A 2 10.354 -2.079 -3.785 1.00 0.00 O HETATM 24 H SEP A 2 8.872 -3.374 1.368 1.00 0.00 H HETATM 25 HA SEP A 2 9.860 -0.717 0.652 1.00 0.00 H HETATM 26 HB2 SEP A 2 8.831 -1.150 -1.564 1.00 0.00 H HETATM 27 HB3 SEP A 2 8.199 -2.683 -0.958 1.00 0.00 H HETATM 28 HOP2 SEP A 2 11.949 -1.840 -1.418 1.00 0.00 H HETATM 29 N SEP A 3 7.895 0.772 0.909 1.00 0.00 N HETATM 30 CA SEP A 3 6.844 1.758 1.327 1.00 0.00 C HETATM 31 CB SEP A 3 7.519 3.072 1.789 1.00 0.00 C HETATM 32 OG SEP A 3 8.512 2.782 2.777 1.00 0.00 O HETATM 33 C SEP A 3 5.770 2.050 0.233 1.00 0.00 C HETATM 34 O SEP A 3 4.611 2.358 0.573 1.00 0.00 O HETATM 35 P SEP A 3 8.234 3.071 4.336 1.00 0.00 P HETATM 36 O1P SEP A 3 7.198 1.938 4.822 1.00 0.00 O HETATM 37 O2P SEP A 3 9.619 2.791 5.107 1.00 0.00 O HETATM 38 O3P SEP A 3 7.695 4.432 4.557 1.00 0.00 O HETATM 39 H SEP A 3 8.764 1.128 0.628 1.00 0.00 H HETATM 40 HA SEP A 3 6.337 1.327 2.167 1.00 0.00 H HETATM 41 HB2 SEP A 3 6.773 3.728 2.211 1.00 0.00 H HETATM 42 HB3 SEP A 3 7.982 3.554 0.939 1.00 0.00 H HETATM 43 HOP2 SEP A 3 9.875 1.831 4.996 1.00 0.00 H ATOM 44 N GLU A 4 6.164 1.879 -1.072 1.00 0.00 N ATOM 45 CA GLU A 4 5.276 2.059 -2.264 1.00 0.00 C ATOM 46 C GLU A 4 4.427 0.770 -2.563 1.00 0.00 C ATOM 47 O GLU A 4 3.313 0.881 -3.094 1.00 0.00 O ATOM 48 CB GLU A 4 6.136 2.505 -3.502 1.00 0.00 C ATOM 49 CG GLU A 4 5.424 3.399 -4.562 1.00 0.00 C ATOM 50 CD GLU A 4 5.338 4.891 -4.204 1.00 0.00 C ATOM 51 OE1 GLU A 4 6.274 5.646 -4.555 1.00 0.00 O ATOM 52 OE2 GLU A 4 4.327 5.300 -3.587 1.00 0.00 O ATOM 53 H GLU A 4 7.091 1.614 -1.226 1.00 0.00 H ATOM 54 HA GLU A 4 4.589 2.847 -2.021 1.00 0.00 H ATOM 55 HB2 GLU A 4 6.992 3.052 -3.138 1.00 0.00 H ATOM 56 HG2 GLU A 4 5.961 3.312 -5.493 1.00 0.00 H ATOM 57 N GLU A 5 4.959 -0.429 -2.139 1.00 0.00 N ATOM 58 CA GLU A 5 4.255 -1.756 -2.204 1.00 0.00 C ATOM 59 C GLU A 5 3.156 -1.877 -1.089 1.00 0.00 C ATOM 60 O GLU A 5 2.091 -2.483 -1.323 1.00 0.00 O ATOM 61 CB GLU A 5 5.297 -2.912 -2.109 1.00 0.00 C ATOM 62 CG GLU A 5 4.985 -4.157 -2.966 1.00 0.00 C ATOM 63 CD GLU A 5 5.947 -5.319 -2.726 1.00 0.00 C ATOM 64 OE1 GLU A 5 7.001 -5.377 -3.402 1.00 0.00 O ATOM 65 OE2 GLU A 5 5.642 -6.182 -1.868 1.00 0.00 O ATOM 66 H GLU A 5 5.859 -0.405 -1.759 1.00 0.00 H ATOM 67 HA GLU A 5 3.766 -1.806 -3.154 1.00 0.00 H ATOM 68 HB2 GLU A 5 6.256 -2.528 -2.419 1.00 0.00 H ATOM 69 HG2 GLU A 5 3.984 -4.490 -2.739 1.00 0.00 H ATOM 70 N LYS A 6 3.438 -1.237 0.097 1.00 0.00 N ATOM 71 CA LYS A 6 2.471 -1.050 1.226 1.00 0.00 C ATOM 72 C LYS A 6 1.385 0.041 0.931 1.00 0.00 C ATOM 73 O LYS A 6 0.239 -0.098 1.384 1.00 0.00 O ATOM 74 CB LYS A 6 3.222 -0.740 2.558 1.00 0.00 C ATOM 75 CG LYS A 6 3.830 -1.965 3.260 1.00 0.00 C ATOM 76 CD LYS A 6 4.596 -1.568 4.529 1.00 0.00 C ATOM 77 CE LYS A 6 5.210 -2.772 5.259 1.00 0.00 C ATOM 78 NZ LYS A 6 4.236 -3.480 6.149 1.00 0.00 N ATOM 79 H LYS A 6 4.347 -0.893 0.213 1.00 0.00 H ATOM 80 HA LYS A 6 1.965 -1.982 1.335 1.00 0.00 H ATOM 81 HB2 LYS A 6 4.023 -0.047 2.350 1.00 0.00 H ATOM 82 HG2 LYS A 6 3.036 -2.645 3.528 1.00 0.00 H ATOM 83 HD2 LYS A 6 5.391 -0.893 4.254 1.00 0.00 H ATOM 84 HE2 LYS A 6 5.576 -3.471 4.523 1.00 0.00 H ATOM 85 HZ1 LYS A 6 4.704 -4.278 6.628 1.00 0.00 H ATOM 86 HZ2 LYS A 6 3.440 -3.845 5.590 1.00 0.00 H ATOM 87 HZ3 LYS A 6 3.869 -2.827 6.871 1.00 0.00 H ATOM 88 N PHE A 7 1.763 1.078 0.103 1.00 0.00 N ATOM 89 CA PHE A 7 0.864 2.197 -0.357 1.00 0.00 C ATOM 90 C PHE A 7 -0.090 1.784 -1.543 1.00 0.00 C ATOM 91 O PHE A 7 -1.190 2.357 -1.679 1.00 0.00 O ATOM 92 CB PHE A 7 1.757 3.440 -0.739 1.00 0.00 C ATOM 93 CG PHE A 7 1.117 4.838 -0.642 1.00 0.00 C ATOM 94 CD1 PHE A 7 0.957 5.486 0.588 1.00 0.00 C ATOM 95 CD2 PHE A 7 0.704 5.508 -1.793 1.00 0.00 C ATOM 96 CE1 PHE A 7 0.396 6.752 0.658 1.00 0.00 C ATOM 97 CE2 PHE A 7 0.149 6.774 -1.721 1.00 0.00 C ATOM 98 CZ PHE A 7 -0.007 7.394 -0.497 1.00 0.00 C ATOM 99 H PHE A 7 2.696 1.089 -0.197 1.00 0.00 H ATOM 100 HA PHE A 7 0.248 2.465 0.479 1.00 0.00 H ATOM 101 HB2 PHE A 7 2.622 3.446 -0.097 1.00 0.00 H ATOM 102 HD1 PHE A 7 1.270 4.988 1.493 1.00 0.00 H ATOM 103 HD2 PHE A 7 0.818 5.027 -2.752 1.00 0.00 H ATOM 104 HE1 PHE A 7 0.275 7.235 1.616 1.00 0.00 H ATOM 105 HE2 PHE A 7 -0.165 7.277 -2.625 1.00 0.00 H ATOM 106 HZ PHE A 7 -0.440 8.382 -0.442 1.00 0.00 H ATOM 107 N LEU A 8 0.330 0.748 -2.337 1.00 0.00 N ATOM 108 CA LEU A 8 -0.439 0.189 -3.494 1.00 0.00 C ATOM 109 C LEU A 8 -1.400 -0.956 -3.068 1.00 0.00 C ATOM 110 O LEU A 8 -2.445 -1.173 -3.715 1.00 0.00 O ATOM 111 CB LEU A 8 0.504 -0.276 -4.662 1.00 0.00 C ATOM 112 CG LEU A 8 1.071 0.819 -5.616 1.00 0.00 C ATOM 113 CD1 LEU A 8 2.331 0.313 -6.304 1.00 0.00 C ATOM 114 CD2 LEU A 8 0.056 1.243 -6.690 1.00 0.00 C ATOM 115 H LEU A 8 1.173 0.335 -2.113 1.00 0.00 H ATOM 116 HA LEU A 8 -1.041 0.992 -3.853 1.00 0.00 H ATOM 117 HB2 LEU A 8 1.345 -0.790 -4.220 1.00 0.00 H ATOM 118 HG LEU A 8 1.334 1.692 -5.036 1.00 0.00 H ATOM 119 HD11 LEU A 8 2.093 -0.557 -6.898 1.00 0.00 H ATOM 120 HD12 LEU A 8 2.726 1.088 -6.945 1.00 0.00 H ATOM 121 HD13 LEU A 8 3.068 0.050 -5.560 1.00 0.00 H ATOM 122 HD21 LEU A 8 -0.828 1.641 -6.213 1.00 0.00 H ATOM 123 HD22 LEU A 8 0.495 2.000 -7.322 1.00 0.00 H ATOM 124 HD23 LEU A 8 -0.214 0.385 -7.289 1.00 0.00 H ATOM 125 N ARG A 9 -1.035 -1.649 -1.941 1.00 0.00 N ATOM 126 CA ARG A 9 -1.926 -2.599 -1.200 1.00 0.00 C ATOM 127 C ARG A 9 -2.933 -1.865 -0.252 1.00 0.00 C ATOM 128 O ARG A 9 -4.014 -2.412 0.053 1.00 0.00 O ATOM 129 CB ARG A 9 -1.085 -3.652 -0.426 1.00 0.00 C ATOM 130 CG ARG A 9 -0.656 -4.866 -1.272 1.00 0.00 C ATOM 131 CD ARG A 9 0.404 -5.738 -0.581 1.00 0.00 C ATOM 132 NE ARG A 9 -0.142 -6.610 0.503 1.00 0.00 N ATOM 133 CZ ARG A 9 0.344 -7.826 0.896 1.00 0.00 C ATOM 134 NH1 ARG A 9 1.367 -8.443 0.280 1.00 0.00 N ATOM 135 NH2 ARG A 9 -0.227 -8.439 1.924 1.00 0.00 N ATOM 136 H ARG A 9 -0.119 -1.515 -1.605 1.00 0.00 H ATOM 137 HA ARG A 9 -2.508 -3.110 -1.944 1.00 0.00 H ATOM 138 HB2 ARG A 9 -0.192 -3.174 -0.051 1.00 0.00 H ATOM 139 HG2 ARG A 9 -1.527 -5.475 -1.467 1.00 0.00 H ATOM 140 HD2 ARG A 9 0.868 -6.367 -1.327 1.00 0.00 H ATOM 141 HE ARG A 9 -0.915 -6.256 0.992 1.00 0.00 H ATOM 142 HH11 ARG A 9 1.809 -8.012 -0.507 1.00 0.00 H ATOM 143 HH12 ARG A 9 1.683 -9.334 0.605 1.00 0.00 H ATOM 144 HH21 ARG A 9 -0.996 -8.011 2.398 1.00 0.00 H ATOM 145 HH22 ARG A 9 0.113 -9.330 2.225 1.00 0.00 H ATOM 146 N ARG A 10 -2.586 -0.585 0.140 1.00 0.00 N ATOM 147 CA ARG A 10 -3.496 0.343 0.895 1.00 0.00 C ATOM 148 C ARG A 10 -4.585 1.008 -0.008 1.00 0.00 C ATOM 149 O ARG A 10 -5.715 1.243 0.463 1.00 0.00 O ATOM 150 CB ARG A 10 -2.702 1.418 1.689 1.00 0.00 C ATOM 151 CG ARG A 10 -2.429 1.045 3.156 1.00 0.00 C ATOM 152 CD ARG A 10 -1.672 2.143 3.919 1.00 0.00 C ATOM 153 NE ARG A 10 -0.195 2.099 3.704 1.00 0.00 N ATOM 154 CZ ARG A 10 0.723 3.017 4.133 1.00 0.00 C ATOM 155 NH1 ARG A 10 0.390 4.131 4.805 1.00 0.00 N ATOM 156 NH2 ARG A 10 2.006 2.801 3.869 1.00 0.00 N ATOM 157 H ARG A 10 -1.684 -0.267 -0.090 1.00 0.00 H ATOM 158 HA ARG A 10 -4.009 -0.271 1.597 1.00 0.00 H ATOM 159 HB2 ARG A 10 -1.751 1.577 1.200 1.00 0.00 H ATOM 160 HG2 ARG A 10 -3.373 0.871 3.648 1.00 0.00 H ATOM 161 HD2 ARG A 10 -2.041 3.103 3.591 1.00 0.00 H ATOM 162 HE ARG A 10 0.144 1.325 3.209 1.00 0.00 H ATOM 163 HH11 ARG A 10 -0.569 4.321 5.015 1.00 0.00 H ATOM 164 HH12 ARG A 10 1.103 4.770 5.096 1.00 0.00 H ATOM 165 HH21 ARG A 10 2.283 1.982 3.366 1.00 0.00 H ATOM 166 HH22 ARG A 10 2.697 3.458 4.173 1.00 0.00 H ATOM 167 N ILE A 11 -4.231 1.263 -1.311 1.00 0.00 N ATOM 168 CA ILE A 11 -5.205 1.704 -2.364 1.00 0.00 C ATOM 169 C ILE A 11 -5.860 0.479 -3.146 1.00 0.00 C ATOM 170 O ILE A 11 -6.792 0.669 -3.950 1.00 0.00 O ATOM 171 CB ILE A 11 -4.588 2.889 -3.293 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.689 3.764 -3.990 1.00 0.00 C ATOM 173 CG2 ILE A 11 -3.555 2.424 -4.351 1.00 0.00 C ATOM 174 CD1 ILE A 11 -6.480 4.689 -3.060 1.00 0.00 C ATOM 175 H ILE A 11 -3.289 1.153 -1.555 1.00 0.00 H ATOM 176 HA ILE A 11 -6.017 2.152 -1.808 1.00 0.00 H ATOM 177 HB ILE A 11 -4.046 3.538 -2.621 1.00 0.00 H ATOM 178 HG12 ILE A 11 -5.222 4.382 -4.739 1.00 0.00 H ATOM 179 HG21 ILE A 11 -2.738 1.918 -3.858 1.00 0.00 H ATOM 180 HG22 ILE A 11 -4.031 1.747 -5.045 1.00 0.00 H ATOM 181 HG23 ILE A 11 -3.176 3.282 -4.887 1.00 0.00 H ATOM 182 HD11 ILE A 11 -6.974 4.087 -2.304 1.00 0.00 H ATOM 183 HD12 ILE A 11 -5.806 5.382 -2.581 1.00 0.00 H ATOM 184 HD13 ILE A 11 -7.217 5.235 -3.630 1.00 0.00 H ATOM 185 N GLY A 12 -5.339 -0.751 -2.863 1.00 0.00 N ATOM 186 CA GLY A 12 -6.025 -2.029 -3.176 1.00 0.00 C ATOM 187 C GLY A 12 -7.023 -2.483 -2.081 1.00 0.00 C ATOM 188 O GLY A 12 -7.871 -3.348 -2.349 1.00 0.00 O ATOM 189 H GLY A 12 -4.452 -0.786 -2.444 1.00 0.00 H ATOM 190 HA2 GLY A 12 -6.561 -1.913 -4.107 1.00 0.00 H ATOM 191 HA3 GLY A 12 -5.277 -2.798 -3.301 1.00 0.00 H ATOM 192 N ARG A 13 -6.893 -1.880 -0.844 1.00 0.00 N ATOM 193 CA ARG A 13 -7.830 -2.083 0.306 1.00 0.00 C ATOM 194 C ARG A 13 -8.991 -1.025 0.333 1.00 0.00 C ATOM 195 O ARG A 13 -10.117 -1.357 0.744 1.00 0.00 O ATOM 196 CB ARG A 13 -7.037 -2.069 1.647 1.00 0.00 C ATOM 197 CG ARG A 13 -7.410 -3.196 2.631 1.00 0.00 C ATOM 198 CD ARG A 13 -6.819 -2.982 4.034 1.00 0.00 C ATOM 199 NE ARG A 13 -5.365 -3.303 4.132 1.00 0.00 N ATOM 200 CZ ARG A 13 -4.560 -3.120 5.225 1.00 0.00 C ATOM 201 NH1 ARG A 13 -5.003 -2.603 6.384 1.00 0.00 N ATOM 202 NH2 ARG A 13 -3.280 -3.462 5.143 1.00 0.00 N ATOM 203 H ARG A 13 -6.125 -1.268 -0.711 1.00 0.00 H ATOM 204 HA ARG A 13 -8.275 -3.048 0.180 1.00 0.00 H ATOM 205 HB2 ARG A 13 -5.985 -2.158 1.423 1.00 0.00 H ATOM 206 HG2 ARG A 13 -8.486 -3.238 2.716 1.00 0.00 H ATOM 207 HD2 ARG A 13 -6.961 -1.949 4.311 1.00 0.00 H ATOM 208 HE ARG A 13 -4.952 -3.683 3.328 1.00 0.00 H ATOM 209 HH11 ARG A 13 -5.960 -2.331 6.476 1.00 0.00 H ATOM 210 HH12 ARG A 13 -4.375 -2.492 7.153 1.00 0.00 H ATOM 211 HH21 ARG A 13 -2.917 -3.846 4.293 1.00 0.00 H ATOM 212 HH22 ARG A 13 -2.678 -3.336 5.931 1.00 0.00 H ATOM 213 N PHE A 14 -8.683 0.228 -0.134 1.00 0.00 N ATOM 214 CA PHE A 14 -9.637 1.384 -0.177 1.00 0.00 C ATOM 215 C PHE A 14 -10.447 1.446 -1.523 1.00 0.00 C ATOM 216 O PHE A 14 -11.645 1.785 -1.493 1.00 0.00 O ATOM 217 CB PHE A 14 -8.835 2.716 0.083 1.00 0.00 C ATOM 218 CG PHE A 14 -9.594 3.888 0.738 1.00 0.00 C ATOM 219 CD1 PHE A 14 -9.725 3.974 2.126 1.00 0.00 C ATOM 220 CD2 PHE A 14 -10.142 4.915 -0.037 1.00 0.00 C ATOM 221 CE1 PHE A 14 -10.386 5.040 2.717 1.00 0.00 C ATOM 222 CE2 PHE A 14 -10.799 5.983 0.556 1.00 0.00 C ATOM 223 CZ PHE A 14 -10.921 6.042 1.932 1.00 0.00 C ATOM 224 H PHE A 14 -7.766 0.375 -0.446 1.00 0.00 H ATOM 225 HA PHE A 14 -10.340 1.247 0.631 1.00 0.00 H ATOM 226 HB2 PHE A 14 -8.001 2.485 0.725 1.00 0.00 H ATOM 227 HD1 PHE A 14 -9.310 3.194 2.745 1.00 0.00 H ATOM 228 HD2 PHE A 14 -10.053 4.871 -1.113 1.00 0.00 H ATOM 229 HE1 PHE A 14 -10.482 5.087 3.791 1.00 0.00 H ATOM 230 HE2 PHE A 14 -11.217 6.767 -0.057 1.00 0.00 H ATOM 231 HZ PHE A 14 -11.433 6.874 2.394 1.00 0.00 H ATOM 232 N GLY A 15 -9.779 1.093 -2.676 1.00 0.00 N ATOM 233 CA GLY A 15 -10.400 1.122 -4.023 1.00 0.00 C ATOM 234 C GLY A 15 -11.037 -0.203 -4.463 1.00 0.00 C ATOM 235 O GLY A 15 -10.528 -1.279 -4.077 1.00 0.00 O ATOM 236 OXT GLY A 15 -12.048 -0.154 -5.195 1.00 0.00 O ATOM 237 H GLY A 15 -8.847 0.801 -2.599 1.00 0.00 H ATOM 238 HA2 GLY A 15 -11.165 1.885 -4.029 1.00 0.00 H ATOM 239 HA3 GLY A 15 -9.641 1.395 -4.742 1.00 0.00 H TER 240 GLY A 15 ENDMDL MODEL 5 ATOM 1 N ASP A 1 11.621 0.525 -1.235 1.00 0.00 N ATOM 2 CA ASP A 1 11.683 -0.957 -1.385 1.00 0.00 C ATOM 3 C ASP A 1 10.402 -1.625 -0.782 1.00 0.00 C ATOM 4 O ASP A 1 9.683 -2.324 -1.517 1.00 0.00 O ATOM 5 CB ASP A 1 13.011 -1.486 -0.748 1.00 0.00 C ATOM 6 CG ASP A 1 13.541 -2.787 -1.366 1.00 0.00 C ATOM 7 OD1 ASP A 1 13.149 -3.878 -0.892 1.00 0.00 O ATOM 8 OD2 ASP A 1 14.356 -2.708 -2.312 1.00 0.00 O ATOM 9 H1 ASP A 1 10.799 0.901 -1.751 1.00 0.00 H ATOM 10 H2 ASP A 1 12.484 0.958 -1.618 1.00 0.00 H ATOM 11 H3 ASP A 1 11.536 0.780 -0.230 1.00 0.00 H ATOM 12 HA ASP A 1 11.699 -1.173 -2.444 1.00 0.00 H ATOM 13 HB2 ASP A 1 13.773 -0.731 -0.866 1.00 0.00 H HETATM 14 N SEP A 2 10.138 -1.397 0.554 1.00 0.00 N HETATM 15 CA SEP A 2 8.949 -1.930 1.287 1.00 0.00 C HETATM 16 CB SEP A 2 9.359 -2.342 2.722 1.00 0.00 C HETATM 17 OG SEP A 2 10.400 -3.320 2.666 1.00 0.00 O HETATM 18 C SEP A 2 7.740 -0.941 1.325 1.00 0.00 C HETATM 19 O SEP A 2 6.581 -1.390 1.419 1.00 0.00 O HETATM 20 P SEP A 2 10.042 -4.882 2.517 1.00 0.00 P HETATM 21 O1P SEP A 2 9.116 -5.569 3.641 1.00 0.00 O HETATM 22 O2P SEP A 2 11.183 -5.053 3.638 1.00 0.00 O HETATM 23 O3P SEP A 2 10.829 -5.728 1.591 1.00 0.00 O HETATM 24 H SEP A 2 10.769 -0.841 1.055 1.00 0.00 H HETATM 25 HA SEP A 2 8.629 -2.820 0.761 1.00 0.00 H HETATM 26 HB2 SEP A 2 8.503 -2.759 3.231 1.00 0.00 H HETATM 27 HB3 SEP A 2 9.707 -1.471 3.258 1.00 0.00 H HETATM 28 HOP2 SEP A 2 11.187 -5.998 3.968 1.00 0.00 H HETATM 29 N SEP A 3 8.030 0.405 1.194 1.00 0.00 N HETATM 30 CA SEP A 3 7.032 1.513 1.343 1.00 0.00 C HETATM 31 CB SEP A 3 7.772 2.819 1.713 1.00 0.00 C HETATM 32 OG SEP A 3 6.828 3.858 1.985 1.00 0.00 O HETATM 33 C SEP A 3 6.101 1.725 0.102 1.00 0.00 C HETATM 34 O SEP A 3 4.950 2.174 0.270 1.00 0.00 O HETATM 35 P SEP A 3 6.604 4.376 3.492 1.00 0.00 P HETATM 36 O1P SEP A 3 7.976 5.095 3.932 1.00 0.00 O HETATM 37 O2P SEP A 3 5.481 5.528 3.422 1.00 0.00 O HETATM 38 O3P SEP A 3 6.255 3.265 4.406 1.00 0.00 O HETATM 39 H SEP A 3 8.957 0.652 0.997 1.00 0.00 H HETATM 40 HA SEP A 3 6.404 1.242 2.165 1.00 0.00 H HETATM 41 HB2 SEP A 3 8.406 3.114 0.893 1.00 0.00 H HETATM 42 HB3 SEP A 3 8.378 2.644 2.592 1.00 0.00 H HETATM 43 HOP2 SEP A 3 4.842 5.417 4.185 1.00 0.00 H ATOM 44 N GLU A 4 6.595 1.344 -1.120 1.00 0.00 N ATOM 45 CA GLU A 4 5.802 1.383 -2.402 1.00 0.00 C ATOM 46 C GLU A 4 4.868 0.142 -2.578 1.00 0.00 C ATOM 47 O GLU A 4 3.776 0.267 -3.165 1.00 0.00 O ATOM 48 CB GLU A 4 6.720 1.562 -3.647 1.00 0.00 C ATOM 49 CG GLU A 4 7.171 3.010 -3.917 1.00 0.00 C ATOM 50 CD GLU A 4 8.047 3.156 -5.160 1.00 0.00 C ATOM 51 OE1 GLU A 4 9.288 3.054 -5.033 1.00 0.00 O ATOM 52 OE2 GLU A 4 7.491 3.391 -6.258 1.00 0.00 O ATOM 53 H GLU A 4 7.518 1.025 -1.153 1.00 0.00 H ATOM 54 HA GLU A 4 5.166 2.244 -2.329 1.00 0.00 H ATOM 55 HB2 GLU A 4 7.602 0.957 -3.517 1.00 0.00 H ATOM 56 HG2 GLU A 4 6.294 3.626 -4.047 1.00 0.00 H ATOM 57 N GLU A 5 5.288 -1.027 -1.981 1.00 0.00 N ATOM 58 CA GLU A 5 4.488 -2.305 -1.921 1.00 0.00 C ATOM 59 C GLU A 5 3.333 -2.227 -0.875 1.00 0.00 C ATOM 60 O GLU A 5 2.249 -2.802 -1.093 1.00 0.00 O ATOM 61 CB GLU A 5 5.406 -3.543 -1.625 1.00 0.00 C ATOM 62 CG GLU A 5 6.334 -4.005 -2.778 1.00 0.00 C ATOM 63 CD GLU A 5 5.692 -4.985 -3.769 1.00 0.00 C ATOM 64 OE1 GLU A 5 5.094 -4.520 -4.767 1.00 0.00 O ATOM 65 OE2 GLU A 5 5.808 -6.214 -3.555 1.00 0.00 O ATOM 66 H GLU A 5 6.168 -1.017 -1.558 1.00 0.00 H ATOM 67 HA GLU A 5 4.041 -2.434 -2.884 1.00 0.00 H ATOM 68 HB2 GLU A 5 6.030 -3.306 -0.778 1.00 0.00 H ATOM 69 HG2 GLU A 5 6.654 -3.133 -3.328 1.00 0.00 H ATOM 70 N LYS A 6 3.583 -1.445 0.229 1.00 0.00 N ATOM 71 CA LYS A 6 2.582 -1.087 1.278 1.00 0.00 C ATOM 72 C LYS A 6 1.556 -0.009 0.815 1.00 0.00 C ATOM 73 O LYS A 6 0.388 -0.071 1.222 1.00 0.00 O ATOM 74 CB LYS A 6 3.290 -0.628 2.583 1.00 0.00 C ATOM 75 CG LYS A 6 3.442 -1.713 3.652 1.00 0.00 C ATOM 76 CD LYS A 6 4.166 -1.176 4.892 1.00 0.00 C ATOM 77 CE LYS A 6 4.122 -2.147 6.077 1.00 0.00 C ATOM 78 NZ LYS A 6 2.859 -2.033 6.874 1.00 0.00 N ATOM 79 H LYS A 6 4.492 -1.112 0.338 1.00 0.00 H ATOM 80 HA LYS A 6 2.039 -1.979 1.488 1.00 0.00 H ATOM 81 HB2 LYS A 6 4.276 -0.270 2.330 1.00 0.00 H ATOM 82 HG2 LYS A 6 2.462 -2.060 3.943 1.00 0.00 H ATOM 83 HD2 LYS A 6 5.200 -0.994 4.635 1.00 0.00 H ATOM 84 HE2 LYS A 6 4.205 -3.156 5.701 1.00 0.00 H ATOM 85 HZ1 LYS A 6 2.750 -1.061 7.232 1.00 0.00 H ATOM 86 HZ2 LYS A 6 2.885 -2.690 7.682 1.00 0.00 H ATOM 87 HZ3 LYS A 6 2.038 -2.266 6.282 1.00 0.00 H ATOM 88 N PHE A 7 2.008 0.936 -0.078 1.00 0.00 N ATOM 89 CA PHE A 7 1.158 2.030 -0.668 1.00 0.00 C ATOM 90 C PHE A 7 0.238 1.551 -1.850 1.00 0.00 C ATOM 91 O PHE A 7 -0.834 2.150 -2.081 1.00 0.00 O ATOM 92 CB PHE A 7 2.070 3.225 -1.114 1.00 0.00 C ATOM 93 CG PHE A 7 1.568 4.638 -0.763 1.00 0.00 C ATOM 94 CD1 PHE A 7 1.903 5.240 0.455 1.00 0.00 C ATOM 95 CD2 PHE A 7 0.780 5.366 -1.659 1.00 0.00 C ATOM 96 CE1 PHE A 7 1.460 6.517 0.763 1.00 0.00 C ATOM 97 CE2 PHE A 7 0.342 6.643 -1.349 1.00 0.00 C ATOM 98 CZ PHE A 7 0.682 7.216 -0.139 1.00 0.00 C ATOM 99 H PHE A 7 2.958 0.900 -0.328 1.00 0.00 H ATOM 100 HA PHE A 7 0.515 2.371 0.118 1.00 0.00 H ATOM 101 HB2 PHE A 7 3.040 3.106 -0.657 1.00 0.00 H ATOM 102 HD1 PHE A 7 2.511 4.698 1.163 1.00 0.00 H ATOM 103 HD2 PHE A 7 0.508 4.921 -2.605 1.00 0.00 H ATOM 104 HE1 PHE A 7 1.725 6.967 1.709 1.00 0.00 H ATOM 105 HE2 PHE A 7 -0.264 7.191 -2.054 1.00 0.00 H ATOM 106 HZ PHE A 7 0.339 8.213 0.101 1.00 0.00 H ATOM 107 N LEU A 8 0.652 0.439 -2.545 1.00 0.00 N ATOM 108 CA LEU A 8 -0.132 -0.216 -3.641 1.00 0.00 C ATOM 109 C LEU A 8 -1.153 -1.255 -3.087 1.00 0.00 C ATOM 110 O LEU A 8 -2.228 -1.462 -3.687 1.00 0.00 O ATOM 111 CB LEU A 8 0.787 -0.859 -4.742 1.00 0.00 C ATOM 112 CG LEU A 8 1.497 0.095 -5.749 1.00 0.00 C ATOM 113 CD1 LEU A 8 2.749 -0.577 -6.302 1.00 0.00 C ATOM 114 CD2 LEU A 8 0.583 0.490 -6.921 1.00 0.00 C ATOM 115 H LEU A 8 1.494 0.043 -2.287 1.00 0.00 H ATOM 116 HA LEU A 8 -0.696 0.567 -4.092 1.00 0.00 H ATOM 117 HB2 LEU A 8 1.550 -1.432 -4.242 1.00 0.00 H ATOM 118 HG LEU A 8 1.797 0.996 -5.234 1.00 0.00 H ATOM 119 HD11 LEU A 8 3.423 -0.803 -5.488 1.00 0.00 H ATOM 120 HD12 LEU A 8 2.476 -1.491 -6.806 1.00 0.00 H ATOM 121 HD13 LEU A 8 3.237 0.087 -6.998 1.00 0.00 H ATOM 122 HD21 LEU A 8 1.136 1.104 -7.618 1.00 0.00 H ATOM 123 HD22 LEU A 8 0.235 -0.402 -7.424 1.00 0.00 H ATOM 124 HD23 LEU A 8 -0.264 1.044 -6.545 1.00 0.00 H ATOM 125 N ARG A 9 -0.810 -1.853 -1.896 1.00 0.00 N ATOM 126 CA ARG A 9 -1.738 -2.667 -1.046 1.00 0.00 C ATOM 127 C ARG A 9 -2.773 -1.776 -0.276 1.00 0.00 C ATOM 128 O ARG A 9 -3.908 -2.223 -0.023 1.00 0.00 O ATOM 129 CB ARG A 9 -0.915 -3.548 -0.066 1.00 0.00 C ATOM 130 CG ARG A 9 -1.099 -5.067 -0.259 1.00 0.00 C ATOM 131 CD ARG A 9 -0.152 -5.909 0.616 1.00 0.00 C ATOM 132 NE ARG A 9 -0.494 -5.900 2.071 1.00 0.00 N ATOM 133 CZ ARG A 9 -0.021 -6.756 3.025 1.00 0.00 C ATOM 134 NH1 ARG A 9 0.799 -7.787 2.750 1.00 0.00 N ATOM 135 NH2 ARG A 9 -0.392 -6.568 4.284 1.00 0.00 N ATOM 136 H ARG A 9 0.115 -1.736 -1.585 1.00 0.00 H ATOM 137 HA ARG A 9 -2.285 -3.306 -1.708 1.00 0.00 H ATOM 138 HB2 ARG A 9 0.132 -3.322 -0.199 1.00 0.00 H ATOM 139 HG2 ARG A 9 -2.117 -5.324 -0.009 1.00 0.00 H ATOM 140 HD2 ARG A 9 -0.183 -6.928 0.264 1.00 0.00 H ATOM 141 HE ARG A 9 -1.108 -5.195 2.367 1.00 0.00 H ATOM 142 HH11 ARG A 9 1.094 -7.955 1.809 1.00 0.00 H ATOM 143 HH12 ARG A 9 1.108 -8.391 3.486 1.00 0.00 H ATOM 144 HH21 ARG A 9 -1.004 -5.813 4.516 1.00 0.00 H ATOM 145 HH22 ARG A 9 -0.059 -7.181 5.003 1.00 0.00 H ATOM 146 N ARG A 10 -2.378 -0.485 0.001 1.00 0.00 N ATOM 147 CA ARG A 10 -3.253 0.542 0.659 1.00 0.00 C ATOM 148 C ARG A 10 -4.254 1.228 -0.316 1.00 0.00 C ATOM 149 O ARG A 10 -5.339 1.650 0.121 1.00 0.00 O ATOM 150 CB ARG A 10 -2.429 1.609 1.429 1.00 0.00 C ATOM 151 CG ARG A 10 -2.160 1.254 2.892 1.00 0.00 C ATOM 152 CD ARG A 10 -1.403 2.364 3.609 1.00 0.00 C ATOM 153 NE ARG A 10 -1.130 2.021 5.026 1.00 0.00 N ATOM 154 CZ ARG A 10 -0.826 2.888 6.037 1.00 0.00 C ATOM 155 NH1 ARG A 10 -0.742 4.221 5.869 1.00 0.00 N ATOM 156 NH2 ARG A 10 -0.607 2.396 7.248 1.00 0.00 N ATOM 157 H ARG A 10 -1.464 -0.226 -0.256 1.00 0.00 H ATOM 158 HA ARG A 10 -3.835 0.002 1.370 1.00 0.00 H ATOM 159 HB2 ARG A 10 -1.479 1.740 0.933 1.00 0.00 H ATOM 160 HG2 ARG A 10 -3.103 1.098 3.391 1.00 0.00 H ATOM 161 HD2 ARG A 10 -0.463 2.528 3.100 1.00 0.00 H ATOM 162 HE ARG A 10 -1.173 1.068 5.252 1.00 0.00 H ATOM 163 HH11 ARG A 10 -0.906 4.623 4.968 1.00 0.00 H ATOM 164 HH12 ARG A 10 -0.516 4.807 6.646 1.00 0.00 H ATOM 165 HH21 ARG A 10 -0.666 1.409 7.403 1.00 0.00 H ATOM 166 HH22 ARG A 10 -0.389 3.010 8.005 1.00 0.00 H ATOM 167 N ILE A 11 -3.889 1.289 -1.638 1.00 0.00 N ATOM 168 CA ILE A 11 -4.804 1.768 -2.722 1.00 0.00 C ATOM 169 C ILE A 11 -5.678 0.597 -3.343 1.00 0.00 C ATOM 170 O ILE A 11 -6.665 0.862 -4.057 1.00 0.00 O ATOM 171 CB ILE A 11 -4.030 2.723 -3.792 1.00 0.00 C ATOM 172 CG1 ILE A 11 -4.994 3.657 -4.605 1.00 0.00 C ATOM 173 CG2 ILE A 11 -3.095 1.977 -4.777 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.726 4.726 -3.785 1.00 0.00 C ATOM 175 H ILE A 11 -2.979 1.013 -1.875 1.00 0.00 H ATOM 176 HA ILE A 11 -5.511 2.405 -2.212 1.00 0.00 H ATOM 177 HB ILE A 11 -3.387 3.363 -3.205 1.00 0.00 H ATOM 178 HG12 ILE A 11 -4.422 4.170 -5.362 1.00 0.00 H ATOM 179 HG21 ILE A 11 -2.336 1.445 -4.222 1.00 0.00 H ATOM 180 HG22 ILE A 11 -3.672 1.273 -5.360 1.00 0.00 H ATOM 181 HG23 ILE A 11 -2.623 2.692 -5.436 1.00 0.00 H ATOM 182 HD11 ILE A 11 -6.289 4.235 -2.996 1.00 0.00 H ATOM 183 HD12 ILE A 11 -5.006 5.399 -3.345 1.00 0.00 H ATOM 184 HD13 ILE A 11 -6.399 5.277 -4.423 1.00 0.00 H ATOM 185 N GLY A 12 -5.287 -0.674 -3.029 1.00 0.00 N ATOM 186 CA GLY A 12 -6.144 -1.867 -3.223 1.00 0.00 C ATOM 187 C GLY A 12 -7.142 -2.130 -2.064 1.00 0.00 C ATOM 188 O GLY A 12 -8.157 -2.810 -2.284 1.00 0.00 O ATOM 189 H GLY A 12 -4.377 -0.798 -2.671 1.00 0.00 H ATOM 190 HA2 GLY A 12 -6.707 -1.745 -4.134 1.00 0.00 H ATOM 191 HA3 GLY A 12 -5.505 -2.733 -3.329 1.00 0.00 H ATOM 192 N ARG A 13 -6.838 -1.569 -0.838 1.00 0.00 N ATOM 193 CA ARG A 13 -7.673 -1.734 0.400 1.00 0.00 C ATOM 194 C ARG A 13 -8.724 -0.585 0.599 1.00 0.00 C ATOM 195 O ARG A 13 -9.842 -0.854 1.074 1.00 0.00 O ATOM 196 CB ARG A 13 -6.729 -1.909 1.660 1.00 0.00 C ATOM 197 CG ARG A 13 -7.341 -2.523 2.959 1.00 0.00 C ATOM 198 CD ARG A 13 -7.596 -4.040 2.875 1.00 0.00 C ATOM 199 NE ARG A 13 -9.046 -4.360 2.802 1.00 0.00 N ATOM 200 CZ ARG A 13 -9.625 -5.452 2.213 1.00 0.00 C ATOM 201 NH1 ARG A 13 -8.926 -6.391 1.551 1.00 0.00 N ATOM 202 NH2 ARG A 13 -10.943 -5.586 2.288 1.00 0.00 N ATOM 203 H ARG A 13 -6.016 -1.014 -0.774 1.00 0.00 H ATOM 204 HA ARG A 13 -8.224 -2.644 0.272 1.00 0.00 H ATOM 205 HB2 ARG A 13 -5.905 -2.540 1.371 1.00 0.00 H ATOM 206 HG2 ARG A 13 -6.661 -2.340 3.777 1.00 0.00 H ATOM 207 HD2 ARG A 13 -7.112 -4.422 1.989 1.00 0.00 H ATOM 208 HE ARG A 13 -9.648 -3.720 3.240 1.00 0.00 H ATOM 209 HH11 ARG A 13 -7.932 -6.315 1.472 1.00 0.00 H ATOM 210 HH12 ARG A 13 -9.403 -7.169 1.136 1.00 0.00 H ATOM 211 HH21 ARG A 13 -11.490 -4.900 2.771 1.00 0.00 H ATOM 212 HH22 ARG A 13 -11.389 -6.375 1.862 1.00 0.00 H ATOM 213 N PHE A 14 -8.346 0.668 0.205 1.00 0.00 N ATOM 214 CA PHE A 14 -9.162 1.906 0.426 1.00 0.00 C ATOM 215 C PHE A 14 -10.148 2.218 -0.756 1.00 0.00 C ATOM 216 O PHE A 14 -11.243 2.755 -0.506 1.00 0.00 O ATOM 217 CB PHE A 14 -8.201 3.117 0.710 1.00 0.00 C ATOM 218 CG PHE A 14 -8.671 4.148 1.750 1.00 0.00 C ATOM 219 CD1 PHE A 14 -8.408 3.969 3.113 1.00 0.00 C ATOM 220 CD2 PHE A 14 -9.350 5.305 1.361 1.00 0.00 C ATOM 221 CE1 PHE A 14 -8.812 4.910 4.045 1.00 0.00 C ATOM 222 CE2 PHE A 14 -9.756 6.242 2.295 1.00 0.00 C ATOM 223 CZ PHE A 14 -9.485 6.044 3.636 1.00 0.00 C ATOM 224 H PHE A 14 -7.486 0.754 -0.252 1.00 0.00 H ATOM 225 HA PHE A 14 -9.754 1.734 1.314 1.00 0.00 H ATOM 226 HB2 PHE A 14 -7.255 2.727 1.056 1.00 0.00 H ATOM 227 HD1 PHE A 14 -7.885 3.081 3.439 1.00 0.00 H ATOM 228 HD2 PHE A 14 -9.563 5.466 0.313 1.00 0.00 H ATOM 229 HE1 PHE A 14 -8.602 4.756 5.093 1.00 0.00 H ATOM 230 HE2 PHE A 14 -10.283 7.129 1.977 1.00 0.00 H ATOM 231 HZ PHE A 14 -9.799 6.777 4.363 1.00 0.00 H ATOM 232 N GLY A 15 -9.746 1.858 -2.022 1.00 0.00 N ATOM 233 CA GLY A 15 -10.563 2.090 -3.234 1.00 0.00 C ATOM 234 C GLY A 15 -11.468 0.917 -3.612 1.00 0.00 C ATOM 235 O GLY A 15 -12.632 0.896 -3.160 1.00 0.00 O ATOM 236 OXT GLY A 15 -11.006 0.024 -4.354 1.00 0.00 O ATOM 237 H GLY A 15 -8.874 1.423 -2.121 1.00 0.00 H ATOM 238 HA2 GLY A 15 -11.185 2.956 -3.064 1.00 0.00 H ATOM 239 HA3 GLY A 15 -9.902 2.300 -4.062 1.00 0.00 H TER 240 GLY A 15 ENDMDL MODEL 6 ATOM 1 N ASP A 1 12.191 -2.372 -1.212 1.00 0.00 N ATOM 2 CA ASP A 1 11.464 -1.321 -0.436 1.00 0.00 C ATOM 3 C ASP A 1 10.066 -1.818 0.001 1.00 0.00 C ATOM 4 O ASP A 1 9.285 -2.351 -0.819 1.00 0.00 O ATOM 5 CB ASP A 1 11.360 0.002 -1.254 1.00 0.00 C ATOM 6 CG ASP A 1 12.671 0.791 -1.338 1.00 0.00 C ATOM 7 OD1 ASP A 1 13.460 0.541 -2.279 1.00 0.00 O ATOM 8 OD2 ASP A 1 12.901 1.662 -0.470 1.00 0.00 O ATOM 9 H1 ASP A 1 12.307 -3.227 -0.633 1.00 0.00 H ATOM 10 H2 ASP A 1 13.132 -2.025 -1.488 1.00 0.00 H ATOM 11 H3 ASP A 1 11.658 -2.616 -2.073 1.00 0.00 H ATOM 12 HA ASP A 1 12.038 -1.126 0.461 1.00 0.00 H ATOM 13 HB2 ASP A 1 11.051 -0.233 -2.261 1.00 0.00 H HETATM 14 N SEP A 2 9.785 -1.653 1.332 1.00 0.00 N HETATM 15 CA SEP A 2 8.518 -2.090 2.000 1.00 0.00 C HETATM 16 CB SEP A 2 8.847 -2.600 3.425 1.00 0.00 C HETATM 17 OG SEP A 2 7.671 -3.141 4.038 1.00 0.00 O HETATM 18 C SEP A 2 7.401 -0.987 2.049 1.00 0.00 C HETATM 19 O SEP A 2 6.205 -1.333 2.129 1.00 0.00 O HETATM 20 P SEP A 2 7.572 -4.718 4.341 1.00 0.00 P HETATM 21 O1P SEP A 2 8.101 -5.745 3.218 1.00 0.00 O HETATM 22 O2P SEP A 2 6.289 -4.619 3.373 1.00 0.00 O HETATM 23 O3P SEP A 2 6.701 -5.208 5.433 1.00 0.00 O HETATM 24 H SEP A 2 10.464 -1.219 1.889 1.00 0.00 H HETATM 25 HA SEP A 2 8.134 -2.920 1.428 1.00 0.00 H HETATM 26 HB2 SEP A 2 9.218 -1.781 4.022 1.00 0.00 H HETATM 27 HB3 SEP A 2 9.605 -3.367 3.361 1.00 0.00 H HETATM 28 HOP2 SEP A 2 5.940 -3.681 3.379 1.00 0.00 H HETATM 29 N SEP A 3 7.802 0.333 1.940 1.00 0.00 N HETATM 30 CA SEP A 3 6.888 1.521 2.089 1.00 0.00 C HETATM 31 CB SEP A 3 7.721 2.786 2.413 1.00 0.00 C HETATM 32 OG SEP A 3 6.849 3.901 2.618 1.00 0.00 O HETATM 33 C SEP A 3 5.952 1.773 0.861 1.00 0.00 C HETATM 34 O SEP A 3 4.779 2.159 1.044 1.00 0.00 O HETATM 35 P SEP A 3 7.448 5.390 2.762 1.00 0.00 P HETATM 36 O1P SEP A 3 8.506 5.332 3.976 1.00 0.00 O HETATM 37 O2P SEP A 3 8.294 5.684 1.424 1.00 0.00 O HETATM 38 O3P SEP A 3 6.382 6.382 3.018 1.00 0.00 O HETATM 39 H SEP A 3 8.749 0.506 1.755 1.00 0.00 H HETATM 40 HA SEP A 3 6.258 1.314 2.927 1.00 0.00 H HETATM 41 HB2 SEP A 3 8.383 2.997 1.587 1.00 0.00 H HETATM 42 HB3 SEP A 3 8.303 2.610 3.307 1.00 0.00 H HETATM 43 HOP2 SEP A 3 8.608 6.634 1.431 1.00 0.00 H ATOM 44 N GLU A 4 6.479 1.491 -0.372 1.00 0.00 N ATOM 45 CA GLU A 4 5.727 1.607 -1.670 1.00 0.00 C ATOM 46 C GLU A 4 4.782 0.382 -1.955 1.00 0.00 C ATOM 47 O GLU A 4 3.742 0.537 -2.624 1.00 0.00 O ATOM 48 CB GLU A 4 6.702 1.926 -2.870 1.00 0.00 C ATOM 49 CG GLU A 4 7.879 0.943 -3.135 1.00 0.00 C ATOM 50 CD GLU A 4 8.776 1.366 -4.295 1.00 0.00 C ATOM 51 OE1 GLU A 4 9.765 2.096 -4.052 1.00 0.00 O ATOM 52 OE2 GLU A 4 8.500 0.955 -5.446 1.00 0.00 O ATOM 53 H GLU A 4 7.407 1.200 -0.404 1.00 0.00 H ATOM 54 HA GLU A 4 5.080 2.457 -1.547 1.00 0.00 H ATOM 55 HB2 GLU A 4 6.115 1.974 -3.773 1.00 0.00 H ATOM 56 HG2 GLU A 4 8.483 0.879 -2.242 1.00 0.00 H ATOM 57 N GLU A 5 5.144 -0.803 -1.362 1.00 0.00 N ATOM 58 CA GLU A 5 4.348 -2.070 -1.405 1.00 0.00 C ATOM 59 C GLU A 5 3.139 -2.038 -0.403 1.00 0.00 C ATOM 60 O GLU A 5 2.082 -2.628 -0.690 1.00 0.00 O ATOM 61 CB GLU A 5 5.295 -3.290 -1.140 1.00 0.00 C ATOM 62 CG GLU A 5 4.977 -4.587 -1.930 1.00 0.00 C ATOM 63 CD GLU A 5 5.607 -4.656 -3.328 1.00 0.00 C ATOM 64 OE1 GLU A 5 6.752 -5.151 -3.447 1.00 0.00 O ATOM 65 OE2 GLU A 5 4.946 -4.229 -4.302 1.00 0.00 O ATOM 66 H GLU A 5 5.987 -0.814 -0.867 1.00 0.00 H ATOM 67 HA GLU A 5 3.948 -2.155 -2.395 1.00 0.00 H ATOM 68 HB2 GLU A 5 6.303 -2.996 -1.389 1.00 0.00 H ATOM 69 HG2 GLU A 5 5.333 -5.430 -1.359 1.00 0.00 H ATOM 70 N LYS A 6 3.314 -1.283 0.733 1.00 0.00 N ATOM 71 CA LYS A 6 2.244 -0.988 1.737 1.00 0.00 C ATOM 72 C LYS A 6 1.266 0.142 1.272 1.00 0.00 C ATOM 73 O LYS A 6 0.080 0.112 1.639 1.00 0.00 O ATOM 74 CB LYS A 6 2.844 -0.645 3.136 1.00 0.00 C ATOM 75 CG LYS A 6 3.273 -1.861 3.970 1.00 0.00 C ATOM 76 CD LYS A 6 3.810 -1.458 5.341 1.00 0.00 C ATOM 77 CE LYS A 6 4.215 -2.677 6.165 1.00 0.00 C ATOM 78 NZ LYS A 6 4.700 -2.299 7.520 1.00 0.00 N ATOM 79 H LYS A 6 4.204 -0.924 0.896 1.00 0.00 H ATOM 80 HA LYS A 6 1.676 -1.885 1.828 1.00 0.00 H ATOM 81 HB2 LYS A 6 3.707 -0.013 2.995 1.00 0.00 H ATOM 82 HG2 LYS A 6 2.421 -2.506 4.108 1.00 0.00 H ATOM 83 HD2 LYS A 6 4.674 -0.823 5.206 1.00 0.00 H ATOM 84 HE2 LYS A 6 3.358 -3.326 6.270 1.00 0.00 H ATOM 85 HZ1 LYS A 6 5.525 -1.671 7.442 1.00 0.00 H ATOM 86 HZ2 LYS A 6 4.974 -3.150 8.052 1.00 0.00 H ATOM 87 HZ3 LYS A 6 3.951 -1.803 8.044 1.00 0.00 H ATOM 88 N PHE A 7 1.787 1.093 0.416 1.00 0.00 N ATOM 89 CA PHE A 7 1.005 2.217 -0.209 1.00 0.00 C ATOM 90 C PHE A 7 0.143 1.763 -1.446 1.00 0.00 C ATOM 91 O PHE A 7 -0.927 2.349 -1.702 1.00 0.00 O ATOM 92 CB PHE A 7 1.991 3.383 -0.594 1.00 0.00 C ATOM 93 CG PHE A 7 1.434 4.820 -0.560 1.00 0.00 C ATOM 94 CD1 PHE A 7 1.416 5.559 0.626 1.00 0.00 C ATOM 95 CD2 PHE A 7 0.953 5.430 -1.720 1.00 0.00 C ATOM 96 CE1 PHE A 7 0.931 6.856 0.650 1.00 0.00 C ATOM 97 CE2 PHE A 7 0.466 6.726 -1.694 1.00 0.00 C ATOM 98 CZ PHE A 7 0.455 7.437 -0.510 1.00 0.00 C ATOM 99 H PHE A 7 2.748 1.037 0.218 1.00 0.00 H ATOM 100 HA PHE A 7 0.329 2.579 0.539 1.00 0.00 H ATOM 101 HB2 PHE A 7 2.831 3.356 0.081 1.00 0.00 H ATOM 102 HD1 PHE A 7 1.784 5.107 1.535 1.00 0.00 H ATOM 103 HD2 PHE A 7 0.960 4.879 -2.648 1.00 0.00 H ATOM 104 HE1 PHE A 7 0.924 7.413 1.575 1.00 0.00 H ATOM 105 HE2 PHE A 7 0.093 7.181 -2.600 1.00 0.00 H ATOM 106 HZ PHE A 7 0.075 8.448 -0.491 1.00 0.00 H ATOM 107 N LEU A 8 0.604 0.679 -2.155 1.00 0.00 N ATOM 108 CA LEU A 8 -0.097 0.074 -3.330 1.00 0.00 C ATOM 109 C LEU A 8 -1.137 -1.005 -2.912 1.00 0.00 C ATOM 110 O LEU A 8 -2.131 -1.229 -3.631 1.00 0.00 O ATOM 111 CB LEU A 8 0.908 -0.496 -4.392 1.00 0.00 C ATOM 112 CG LEU A 8 1.550 0.515 -5.387 1.00 0.00 C ATOM 113 CD1 LEU A 8 2.905 0.005 -5.856 1.00 0.00 C ATOM 114 CD2 LEU A 8 0.659 0.757 -6.613 1.00 0.00 C ATOM 115 H LEU A 8 1.425 0.268 -1.852 1.00 0.00 H ATOM 116 HA LEU A 8 -0.638 0.873 -3.783 1.00 0.00 H ATOM 117 HB2 LEU A 8 1.707 -0.989 -3.861 1.00 0.00 H ATOM 118 HG LEU A 8 1.703 1.461 -4.887 1.00 0.00 H ATOM 119 HD11 LEU A 8 2.779 -0.937 -6.366 1.00 0.00 H ATOM 120 HD12 LEU A 8 3.346 0.725 -6.532 1.00 0.00 H ATOM 121 HD13 LEU A 8 3.554 -0.129 -5.003 1.00 0.00 H ATOM 122 HD21 LEU A 8 0.492 -0.178 -7.125 1.00 0.00 H ATOM 123 HD22 LEU A 8 -0.288 1.167 -6.293 1.00 0.00 H ATOM 124 HD23 LEU A 8 1.144 1.453 -7.281 1.00 0.00 H ATOM 125 N ARG A 9 -0.902 -1.629 -1.710 1.00 0.00 N ATOM 126 CA ARG A 9 -1.892 -2.493 -1.000 1.00 0.00 C ATOM 127 C ARG A 9 -2.933 -1.633 -0.190 1.00 0.00 C ATOM 128 O ARG A 9 -4.056 -2.106 0.062 1.00 0.00 O ATOM 129 CB ARG A 9 -1.129 -3.542 -0.105 1.00 0.00 C ATOM 130 CG ARG A 9 -1.907 -4.831 0.332 1.00 0.00 C ATOM 131 CD ARG A 9 -2.177 -5.861 -0.798 1.00 0.00 C ATOM 132 NE ARG A 9 -0.958 -6.577 -1.274 1.00 0.00 N ATOM 133 CZ ARG A 9 -0.926 -7.753 -1.969 1.00 0.00 C ATOM 134 NH1 ARG A 9 -2.031 -8.467 -2.250 1.00 0.00 N ATOM 135 NH2 ARG A 9 0.247 -8.222 -2.377 1.00 0.00 N ATOM 136 H ARG A 9 -0.019 -1.503 -1.299 1.00 0.00 H ATOM 137 HA ARG A 9 -2.435 -3.021 -1.758 1.00 0.00 H ATOM 138 HB2 ARG A 9 -0.254 -3.864 -0.647 1.00 0.00 H ATOM 139 HG2 ARG A 9 -1.335 -5.324 1.099 1.00 0.00 H ATOM 140 HD2 ARG A 9 -2.880 -6.593 -0.428 1.00 0.00 H ATOM 141 HE ARG A 9 -0.100 -6.142 -1.085 1.00 0.00 H ATOM 142 HH11 ARG A 9 -2.926 -8.141 -1.945 1.00 0.00 H ATOM 143 HH12 ARG A 9 -1.957 -9.325 -2.758 1.00 0.00 H ATOM 144 HH21 ARG A 9 1.085 -7.715 -2.175 1.00 0.00 H ATOM 145 HH22 ARG A 9 0.292 -9.081 -2.887 1.00 0.00 H ATOM 146 N ARG A 10 -2.559 -0.342 0.133 1.00 0.00 N ATOM 147 CA ARG A 10 -3.473 0.665 0.766 1.00 0.00 C ATOM 148 C ARG A 10 -4.498 1.261 -0.265 1.00 0.00 C ATOM 149 O ARG A 10 -5.655 1.529 0.104 1.00 0.00 O ATOM 150 CB ARG A 10 -2.651 1.784 1.476 1.00 0.00 C ATOM 151 CG ARG A 10 -3.301 2.382 2.740 1.00 0.00 C ATOM 152 CD ARG A 10 -2.390 3.405 3.425 1.00 0.00 C ATOM 153 NE ARG A 10 -1.593 2.818 4.539 1.00 0.00 N ATOM 154 CZ ARG A 10 -0.433 3.317 5.067 1.00 0.00 C ATOM 155 NH1 ARG A 10 0.186 4.402 4.573 1.00 0.00 N ATOM 156 NH2 ARG A 10 0.120 2.695 6.101 1.00 0.00 N ATOM 157 H ARG A 10 -1.633 -0.073 -0.064 1.00 0.00 H ATOM 158 HA ARG A 10 -4.030 0.134 1.503 1.00 0.00 H ATOM 159 HB2 ARG A 10 -1.692 1.378 1.758 1.00 0.00 H ATOM 160 HG2 ARG A 10 -4.225 2.868 2.463 1.00 0.00 H ATOM 161 HD2 ARG A 10 -1.709 3.803 2.688 1.00 0.00 H ATOM 162 HE ARG A 10 -1.954 2.001 4.944 1.00 0.00 H ATOM 163 HH11 ARG A 10 -0.199 4.883 3.785 1.00 0.00 H ATOM 164 HH12 ARG A 10 1.032 4.730 4.995 1.00 0.00 H ATOM 165 HH21 ARG A 10 -0.310 1.875 6.481 1.00 0.00 H ATOM 166 HH22 ARG A 10 0.965 3.047 6.503 1.00 0.00 H ATOM 167 N ILE A 11 -4.049 1.420 -1.551 1.00 0.00 N ATOM 168 CA ILE A 11 -4.927 1.826 -2.693 1.00 0.00 C ATOM 169 C ILE A 11 -5.571 0.578 -3.449 1.00 0.00 C ATOM 170 O ILE A 11 -6.445 0.754 -4.319 1.00 0.00 O ATOM 171 CB ILE A 11 -4.200 2.935 -3.644 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.196 3.740 -4.553 1.00 0.00 C ATOM 173 CG2 ILE A 11 -3.047 2.377 -4.517 1.00 0.00 C ATOM 174 CD1 ILE A 11 -6.137 4.697 -3.817 1.00 0.00 C ATOM 175 H ILE A 11 -3.096 1.259 -1.721 1.00 0.00 H ATOM 176 HA ILE A 11 -5.760 2.330 -2.221 1.00 0.00 H ATOM 177 HB ILE A 11 -3.738 3.643 -2.969 1.00 0.00 H ATOM 178 HG12 ILE A 11 -4.627 4.327 -5.257 1.00 0.00 H ATOM 179 HG21 ILE A 11 -3.429 1.611 -5.176 1.00 0.00 H ATOM 180 HG22 ILE A 11 -2.620 3.177 -5.107 1.00 0.00 H ATOM 181 HG23 ILE A 11 -2.284 1.953 -3.879 1.00 0.00 H ATOM 182 HD11 ILE A 11 -5.561 5.457 -3.315 1.00 0.00 H ATOM 183 HD12 ILE A 11 -6.811 5.156 -4.524 1.00 0.00 H ATOM 184 HD13 ILE A 11 -6.706 4.131 -3.084 1.00 0.00 H ATOM 185 N GLY A 12 -5.111 -0.651 -3.072 1.00 0.00 N ATOM 186 CA GLY A 12 -5.809 -1.919 -3.392 1.00 0.00 C ATOM 187 C GLY A 12 -6.918 -2.298 -2.376 1.00 0.00 C ATOM 188 O GLY A 12 -7.791 -3.117 -2.704 1.00 0.00 O ATOM 189 H GLY A 12 -4.264 -0.691 -2.579 1.00 0.00 H ATOM 190 HA2 GLY A 12 -6.255 -1.829 -4.370 1.00 0.00 H ATOM 191 HA3 GLY A 12 -5.080 -2.714 -3.417 1.00 0.00 H ATOM 192 N ARG A 13 -6.856 -1.682 -1.140 1.00 0.00 N ATOM 193 CA ARG A 13 -7.873 -1.856 -0.048 1.00 0.00 C ATOM 194 C ARG A 13 -9.008 -0.784 -0.074 1.00 0.00 C ATOM 195 O ARG A 13 -10.173 -1.115 0.218 1.00 0.00 O ATOM 196 CB ARG A 13 -7.181 -1.892 1.346 1.00 0.00 C ATOM 197 CG ARG A 13 -6.761 -3.297 1.809 1.00 0.00 C ATOM 198 CD ARG A 13 -6.036 -3.285 3.163 1.00 0.00 C ATOM 199 NE ARG A 13 -6.962 -3.294 4.335 1.00 0.00 N ATOM 200 CZ ARG A 13 -6.814 -4.019 5.489 1.00 0.00 C ATOM 201 NH1 ARG A 13 -5.809 -4.892 5.681 1.00 0.00 N ATOM 202 NH2 ARG A 13 -7.710 -3.872 6.456 1.00 0.00 N ATOM 203 H ARG A 13 -6.090 -1.079 -0.966 1.00 0.00 H ATOM 204 HA ARG A 13 -8.335 -2.807 -0.215 1.00 0.00 H ATOM 205 HB2 ARG A 13 -6.294 -1.277 1.305 1.00 0.00 H ATOM 206 HG2 ARG A 13 -7.643 -3.912 1.897 1.00 0.00 H ATOM 207 HD2 ARG A 13 -5.402 -4.156 3.218 1.00 0.00 H ATOM 208 HE ARG A 13 -7.742 -2.704 4.274 1.00 0.00 H ATOM 209 HH11 ARG A 13 -5.126 -5.034 4.964 1.00 0.00 H ATOM 210 HH12 ARG A 13 -5.743 -5.396 6.542 1.00 0.00 H ATOM 211 HH21 ARG A 13 -8.476 -3.241 6.338 1.00 0.00 H ATOM 212 HH22 ARG A 13 -7.620 -4.395 7.306 1.00 0.00 H ATOM 213 N PHE A 14 -8.644 0.486 -0.444 1.00 0.00 N ATOM 214 CA PHE A 14 -9.590 1.649 -0.539 1.00 0.00 C ATOM 215 C PHE A 14 -10.226 1.816 -1.953 1.00 0.00 C ATOM 216 O PHE A 14 -11.431 2.121 -2.045 1.00 0.00 O ATOM 217 CB PHE A 14 -8.890 2.984 -0.096 1.00 0.00 C ATOM 218 CG PHE A 14 -8.887 3.287 1.409 1.00 0.00 C ATOM 219 CD1 PHE A 14 -9.921 4.023 1.993 1.00 0.00 C ATOM 220 CD2 PHE A 14 -7.842 2.861 2.231 1.00 0.00 C ATOM 221 CE1 PHE A 14 -9.914 4.312 3.346 1.00 0.00 C ATOM 222 CE2 PHE A 14 -7.834 3.153 3.584 1.00 0.00 C ATOM 223 CZ PHE A 14 -8.870 3.877 4.140 1.00 0.00 C ATOM 224 H PHE A 14 -7.701 0.635 -0.661 1.00 0.00 H ATOM 225 HA PHE A 14 -10.392 1.449 0.157 1.00 0.00 H ATOM 226 HB2 PHE A 14 -7.860 2.956 -0.417 1.00 0.00 H ATOM 227 HD1 PHE A 14 -10.738 4.365 1.375 1.00 0.00 H ATOM 228 HD2 PHE A 14 -7.032 2.291 1.800 1.00 0.00 H ATOM 229 HE1 PHE A 14 -10.723 4.879 3.782 1.00 0.00 H ATOM 230 HE2 PHE A 14 -7.018 2.815 4.203 1.00 0.00 H ATOM 231 HZ PHE A 14 -8.864 4.104 5.196 1.00 0.00 H ATOM 232 N GLY A 15 -9.409 1.587 -3.036 1.00 0.00 N ATOM 233 CA GLY A 15 -9.858 1.711 -4.442 1.00 0.00 C ATOM 234 C GLY A 15 -10.388 0.410 -5.064 1.00 0.00 C ATOM 235 O GLY A 15 -10.222 0.234 -6.288 1.00 0.00 O ATOM 236 OXT GLY A 15 -10.975 -0.421 -4.331 1.00 0.00 O ATOM 237 H GLY A 15 -8.481 1.329 -2.865 1.00 0.00 H ATOM 238 HA2 GLY A 15 -10.641 2.454 -4.487 1.00 0.00 H ATOM 239 HA3 GLY A 15 -9.025 2.059 -5.035 1.00 0.00 H TER 240 GLY A 15 ENDMDL MODEL 7 ATOM 1 N ASP A 1 13.366 -1.218 0.096 1.00 0.00 N ATOM 2 CA ASP A 1 12.209 -0.432 0.619 1.00 0.00 C ATOM 3 C ASP A 1 10.878 -1.174 0.366 1.00 0.00 C ATOM 4 O ASP A 1 10.548 -1.532 -0.786 1.00 0.00 O ATOM 5 CB ASP A 1 12.180 1.001 0.008 1.00 0.00 C ATOM 6 CG ASP A 1 13.214 1.957 0.609 1.00 0.00 C ATOM 7 OD1 ASP A 1 14.361 1.994 0.106 1.00 0.00 O ATOM 8 OD2 ASP A 1 12.870 2.673 1.576 1.00 0.00 O ATOM 9 H1 ASP A 1 13.411 -2.144 0.569 1.00 0.00 H ATOM 10 H2 ASP A 1 14.256 -0.709 0.272 1.00 0.00 H ATOM 11 H3 ASP A 1 13.262 -1.370 -0.927 1.00 0.00 H ATOM 12 HA ASP A 1 12.341 -0.344 1.686 1.00 0.00 H ATOM 13 HB2 ASP A 1 12.362 0.934 -1.055 1.00 0.00 H HETATM 14 N SEP A 2 10.142 -1.431 1.494 1.00 0.00 N HETATM 15 CA SEP A 2 8.809 -2.119 1.513 1.00 0.00 C HETATM 16 CB SEP A 2 8.719 -3.015 2.776 1.00 0.00 C HETATM 17 OG SEP A 2 9.743 -4.013 2.735 1.00 0.00 O HETATM 18 C SEP A 2 7.575 -1.141 1.439 1.00 0.00 C HETATM 19 O SEP A 2 6.413 -1.603 1.375 1.00 0.00 O HETATM 20 P SEP A 2 9.338 -5.569 2.658 1.00 0.00 P HETATM 21 O1P SEP A 2 9.827 -6.534 3.849 1.00 0.00 O HETATM 22 O2P SEP A 2 10.854 -5.751 2.145 1.00 0.00 O HETATM 23 O3P SEP A 2 8.852 -6.147 1.385 1.00 0.00 O HETATM 24 H SEP A 2 10.515 -1.142 2.353 1.00 0.00 H HETATM 25 HA SEP A 2 8.775 -2.758 0.645 1.00 0.00 H HETATM 26 HB2 SEP A 2 7.751 -3.495 2.806 1.00 0.00 H HETATM 27 HB3 SEP A 2 8.846 -2.406 3.659 1.00 0.00 H HETATM 28 HOP2 SEP A 2 10.962 -6.662 1.747 1.00 0.00 H HETATM 29 N SEP A 3 7.850 0.210 1.356 1.00 0.00 N HETATM 30 CA SEP A 3 6.824 1.305 1.455 1.00 0.00 C HETATM 31 CB SEP A 3 7.532 2.641 1.775 1.00 0.00 C HETATM 32 OG SEP A 3 8.284 2.516 2.985 1.00 0.00 O HETATM 33 C SEP A 3 5.898 1.464 0.204 1.00 0.00 C HETATM 34 O SEP A 3 4.745 1.914 0.344 1.00 0.00 O HETATM 35 P SEP A 3 7.919 3.419 4.267 1.00 0.00 P HETATM 36 O1P SEP A 3 9.057 3.115 5.363 1.00 0.00 O HETATM 37 O2P SEP A 3 8.105 4.958 3.829 1.00 0.00 O HETATM 38 O3P SEP A 3 6.567 3.110 4.786 1.00 0.00 O HETATM 39 H SEP A 3 8.783 0.477 1.220 1.00 0.00 H HETATM 40 HA SEP A 3 6.194 1.054 2.286 1.00 0.00 H HETATM 41 HB2 SEP A 3 6.792 3.418 1.890 1.00 0.00 H HETATM 42 HB3 SEP A 3 8.195 2.894 0.961 1.00 0.00 H HETATM 43 HOP2 SEP A 3 7.238 5.445 3.945 1.00 0.00 H ATOM 44 N GLU A 4 6.399 1.025 -0.994 1.00 0.00 N ATOM 45 CA GLU A 4 5.657 1.085 -2.303 1.00 0.00 C ATOM 46 C GLU A 4 4.681 -0.116 -2.505 1.00 0.00 C ATOM 47 O GLU A 4 3.581 0.061 -3.070 1.00 0.00 O ATOM 48 CB GLU A 4 6.641 1.212 -3.499 1.00 0.00 C ATOM 49 CG GLU A 4 7.141 2.643 -3.761 1.00 0.00 C ATOM 50 CD GLU A 4 8.057 2.757 -4.975 1.00 0.00 C ATOM 51 OE1 GLU A 4 9.288 2.604 -4.811 1.00 0.00 O ATOM 52 OE2 GLU A 4 7.545 3.016 -6.089 1.00 0.00 O ATOM 53 H GLU A 4 7.297 0.640 -0.990 1.00 0.00 H ATOM 54 HA GLU A 4 5.059 1.973 -2.265 1.00 0.00 H ATOM 55 HB2 GLU A 4 7.500 0.587 -3.303 1.00 0.00 H ATOM 56 HG2 GLU A 4 6.286 3.280 -3.921 1.00 0.00 H ATOM 57 N GLU A 5 5.079 -1.313 -1.955 1.00 0.00 N ATOM 58 CA GLU A 5 4.242 -2.565 -1.908 1.00 0.00 C ATOM 59 C GLU A 5 3.085 -2.467 -0.863 1.00 0.00 C ATOM 60 O GLU A 5 1.981 -3.004 -1.095 1.00 0.00 O ATOM 61 CB GLU A 5 5.126 -3.815 -1.638 1.00 0.00 C ATOM 62 CG GLU A 5 5.830 -4.382 -2.882 1.00 0.00 C ATOM 63 CD GLU A 5 6.662 -5.629 -2.595 1.00 0.00 C ATOM 64 OE1 GLU A 5 6.104 -6.749 -2.665 1.00 0.00 O ATOM 65 OE2 GLU A 5 7.876 -5.486 -2.317 1.00 0.00 O ATOM 66 H GLU A 5 5.970 -1.343 -1.557 1.00 0.00 H ATOM 67 HA GLU A 5 3.790 -2.670 -2.873 1.00 0.00 H ATOM 68 HB2 GLU A 5 5.889 -3.550 -0.917 1.00 0.00 H ATOM 69 HG2 GLU A 5 5.082 -4.634 -3.619 1.00 0.00 H ATOM 70 N LYS A 6 3.357 -1.692 0.244 1.00 0.00 N ATOM 71 CA LYS A 6 2.371 -1.300 1.301 1.00 0.00 C ATOM 72 C LYS A 6 1.346 -0.233 0.803 1.00 0.00 C ATOM 73 O LYS A 6 0.172 -0.287 1.191 1.00 0.00 O ATOM 74 CB LYS A 6 3.092 -0.785 2.588 1.00 0.00 C ATOM 75 CG LYS A 6 3.671 -1.866 3.511 1.00 0.00 C ATOM 76 CD LYS A 6 4.371 -1.245 4.717 1.00 0.00 C ATOM 77 CE LYS A 6 4.982 -2.300 5.635 1.00 0.00 C ATOM 78 NZ LYS A 6 5.670 -1.685 6.806 1.00 0.00 N ATOM 79 H LYS A 6 4.273 -1.378 0.345 1.00 0.00 H ATOM 80 HA LYS A 6 1.827 -2.180 1.546 1.00 0.00 H ATOM 81 HB2 LYS A 6 3.905 -0.140 2.289 1.00 0.00 H ATOM 82 HG2 LYS A 6 2.867 -2.498 3.859 1.00 0.00 H ATOM 83 HD2 LYS A 6 5.158 -0.591 4.365 1.00 0.00 H ATOM 84 HE2 LYS A 6 4.196 -2.950 5.989 1.00 0.00 H ATOM 85 HZ1 LYS A 6 4.980 -1.185 7.405 1.00 0.00 H ATOM 86 HZ2 LYS A 6 6.390 -1.006 6.484 1.00 0.00 H ATOM 87 HZ3 LYS A 6 6.136 -2.420 7.375 1.00 0.00 H ATOM 88 N PHE A 7 1.817 0.683 -0.111 1.00 0.00 N ATOM 89 CA PHE A 7 0.991 1.752 -0.766 1.00 0.00 C ATOM 90 C PHE A 7 0.084 1.208 -1.932 1.00 0.00 C ATOM 91 O PHE A 7 -0.960 1.821 -2.233 1.00 0.00 O ATOM 92 CB PHE A 7 1.952 2.901 -1.257 1.00 0.00 C ATOM 93 CG PHE A 7 1.355 4.318 -1.433 1.00 0.00 C ATOM 94 CD1 PHE A 7 1.279 5.212 -0.358 1.00 0.00 C ATOM 95 CD2 PHE A 7 0.900 4.758 -2.680 1.00 0.00 C ATOM 96 CE1 PHE A 7 0.763 6.488 -0.526 1.00 0.00 C ATOM 97 CE2 PHE A 7 0.389 6.037 -2.844 1.00 0.00 C ATOM 98 CZ PHE A 7 0.321 6.898 -1.767 1.00 0.00 C ATOM 99 H PHE A 7 2.770 0.637 -0.337 1.00 0.00 H ATOM 100 HA PHE A 7 0.342 2.151 -0.011 1.00 0.00 H ATOM 101 HB2 PHE A 7 2.756 2.987 -0.544 1.00 0.00 H ATOM 102 HD1 PHE A 7 1.622 4.897 0.615 1.00 0.00 H ATOM 103 HD2 PHE A 7 0.946 4.087 -3.527 1.00 0.00 H ATOM 104 HE1 PHE A 7 0.709 7.164 0.316 1.00 0.00 H ATOM 105 HE2 PHE A 7 0.043 6.359 -3.817 1.00 0.00 H ATOM 106 HZ PHE A 7 -0.077 7.895 -1.896 1.00 0.00 H ATOM 107 N LEU A 8 0.466 0.029 -2.523 1.00 0.00 N ATOM 108 CA LEU A 8 -0.286 -0.639 -3.630 1.00 0.00 C ATOM 109 C LEU A 8 -1.429 -1.563 -3.114 1.00 0.00 C ATOM 110 O LEU A 8 -2.497 -1.643 -3.758 1.00 0.00 O ATOM 111 CB LEU A 8 0.663 -1.400 -4.623 1.00 0.00 C ATOM 112 CG LEU A 8 1.449 -0.552 -5.673 1.00 0.00 C ATOM 113 CD1 LEU A 8 2.703 -1.291 -6.114 1.00 0.00 C ATOM 114 CD2 LEU A 8 0.607 -0.231 -6.916 1.00 0.00 C ATOM 115 H LEU A 8 1.267 -0.402 -2.186 1.00 0.00 H ATOM 116 HA LEU A 8 -0.751 0.153 -4.166 1.00 0.00 H ATOM 117 HB2 LEU A 8 1.385 -1.949 -4.040 1.00 0.00 H ATOM 118 HG LEU A 8 1.752 0.380 -5.220 1.00 0.00 H ATOM 119 HD11 LEU A 8 2.431 -2.258 -6.512 1.00 0.00 H ATOM 120 HD12 LEU A 8 3.207 -0.717 -6.878 1.00 0.00 H ATOM 121 HD13 LEU A 8 3.362 -1.420 -5.268 1.00 0.00 H ATOM 122 HD21 LEU A 8 1.186 0.374 -7.597 1.00 0.00 H ATOM 123 HD22 LEU A 8 0.323 -1.152 -7.405 1.00 0.00 H ATOM 124 HD23 LEU A 8 -0.280 0.308 -6.620 1.00 0.00 H ATOM 125 N ARG A 9 -1.207 -2.217 -1.924 1.00 0.00 N ATOM 126 CA ARG A 9 -2.287 -2.924 -1.147 1.00 0.00 C ATOM 127 C ARG A 9 -3.194 -1.950 -0.302 1.00 0.00 C ATOM 128 O ARG A 9 -4.344 -2.306 0.024 1.00 0.00 O ATOM 129 CB ARG A 9 -1.737 -4.143 -0.308 1.00 0.00 C ATOM 130 CG ARG A 9 -0.601 -3.870 0.710 1.00 0.00 C ATOM 131 CD ARG A 9 -0.066 -5.147 1.381 1.00 0.00 C ATOM 132 NE ARG A 9 0.749 -6.011 0.468 1.00 0.00 N ATOM 133 CZ ARG A 9 1.811 -6.798 0.815 1.00 0.00 C ATOM 134 NH1 ARG A 9 2.289 -6.873 2.069 1.00 0.00 N ATOM 135 NH2 ARG A 9 2.405 -7.519 -0.130 1.00 0.00 N ATOM 136 H ARG A 9 -0.290 -2.241 -1.581 1.00 0.00 H ATOM 137 HA ARG A 9 -2.934 -3.333 -1.898 1.00 0.00 H ATOM 138 HB2 ARG A 9 -2.560 -4.572 0.240 1.00 0.00 H ATOM 139 HG2 ARG A 9 0.210 -3.388 0.191 1.00 0.00 H ATOM 140 HD2 ARG A 9 0.553 -4.857 2.217 1.00 0.00 H ATOM 141 HE ARG A 9 0.480 -6.014 -0.475 1.00 0.00 H ATOM 142 HH11 ARG A 9 1.863 -6.336 2.798 1.00 0.00 H ATOM 143 HH12 ARG A 9 3.072 -7.461 2.273 1.00 0.00 H ATOM 144 HH21 ARG A 9 2.073 -7.478 -1.073 1.00 0.00 H ATOM 145 HH22 ARG A 9 3.184 -8.104 0.099 1.00 0.00 H ATOM 146 N ARG A 10 -2.674 -0.702 -0.017 1.00 0.00 N ATOM 147 CA ARG A 10 -3.460 0.405 0.628 1.00 0.00 C ATOM 148 C ARG A 10 -4.374 1.183 -0.370 1.00 0.00 C ATOM 149 O ARG A 10 -5.378 1.792 0.053 1.00 0.00 O ATOM 150 CB ARG A 10 -2.549 1.397 1.390 1.00 0.00 C ATOM 151 CG ARG A 10 -2.403 1.101 2.890 1.00 0.00 C ATOM 152 CD ARG A 10 -1.626 2.201 3.622 1.00 0.00 C ATOM 153 NE ARG A 10 -2.462 3.389 3.964 1.00 0.00 N ATOM 154 CZ ARG A 10 -2.049 4.690 4.035 1.00 0.00 C ATOM 155 NH1 ARG A 10 -0.793 5.079 3.760 1.00 0.00 N ATOM 156 NH2 ARG A 10 -2.929 5.615 4.386 1.00 0.00 N ATOM 157 H ARG A 10 -1.731 -0.531 -0.246 1.00 0.00 H ATOM 158 HA ARG A 10 -4.099 -0.072 1.335 1.00 0.00 H ATOM 159 HB2 ARG A 10 -1.567 1.370 0.946 1.00 0.00 H ATOM 160 HG2 ARG A 10 -3.387 1.021 3.326 1.00 0.00 H ATOM 161 HD2 ARG A 10 -1.227 1.788 4.536 1.00 0.00 H ATOM 162 HE ARG A 10 -3.404 3.208 4.166 1.00 0.00 H ATOM 163 HH11 ARG A 10 -0.108 4.403 3.490 1.00 0.00 H ATOM 164 HH12 ARG A 10 -0.546 6.046 3.821 1.00 0.00 H ATOM 165 HH21 ARG A 10 -3.873 5.353 4.593 1.00 0.00 H ATOM 166 HH22 ARG A 10 -2.651 6.573 4.444 1.00 0.00 H ATOM 167 N ILE A 11 -4.009 1.144 -1.691 1.00 0.00 N ATOM 168 CA ILE A 11 -4.868 1.658 -2.797 1.00 0.00 C ATOM 169 C ILE A 11 -5.823 0.542 -3.403 1.00 0.00 C ATOM 170 O ILE A 11 -6.793 0.867 -4.117 1.00 0.00 O ATOM 171 CB ILE A 11 -4.008 2.526 -3.871 1.00 0.00 C ATOM 172 CG1 ILE A 11 -4.878 3.552 -4.672 1.00 0.00 C ATOM 173 CG2 ILE A 11 -3.154 1.693 -4.862 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.471 4.692 -3.839 1.00 0.00 C ATOM 175 H ILE A 11 -3.130 0.769 -1.913 1.00 0.00 H ATOM 176 HA ILE A 11 -5.532 2.359 -2.317 1.00 0.00 H ATOM 177 HB ILE A 11 -3.302 3.098 -3.286 1.00 0.00 H ATOM 178 HG12 ILE A 11 -4.267 4.000 -5.442 1.00 0.00 H ATOM 179 HG21 ILE A 11 -2.641 2.357 -5.543 1.00 0.00 H ATOM 180 HG22 ILE A 11 -2.428 1.111 -4.311 1.00 0.00 H ATOM 181 HG23 ILE A 11 -3.797 1.029 -5.421 1.00 0.00 H ATOM 182 HD11 ILE A 11 -4.676 5.313 -3.457 1.00 0.00 H ATOM 183 HD12 ILE A 11 -6.136 5.280 -4.450 1.00 0.00 H ATOM 184 HD13 ILE A 11 -6.024 4.260 -3.009 1.00 0.00 H ATOM 185 N GLY A 12 -5.514 -0.746 -3.074 1.00 0.00 N ATOM 186 CA GLY A 12 -6.436 -1.889 -3.274 1.00 0.00 C ATOM 187 C GLY A 12 -7.465 -2.087 -2.131 1.00 0.00 C ATOM 188 O GLY A 12 -8.487 -2.758 -2.350 1.00 0.00 O ATOM 189 H GLY A 12 -4.622 -0.920 -2.702 1.00 0.00 H ATOM 190 HA2 GLY A 12 -6.977 -1.736 -4.194 1.00 0.00 H ATOM 191 HA3 GLY A 12 -5.848 -2.790 -3.371 1.00 0.00 H ATOM 192 N ARG A 13 -7.173 -1.502 -0.911 1.00 0.00 N ATOM 193 CA ARG A 13 -8.090 -1.518 0.276 1.00 0.00 C ATOM 194 C ARG A 13 -8.983 -0.228 0.334 1.00 0.00 C ATOM 195 O ARG A 13 -10.218 -0.342 0.312 1.00 0.00 O ATOM 196 CB ARG A 13 -7.254 -1.789 1.601 1.00 0.00 C ATOM 197 CG ARG A 13 -8.028 -2.123 2.918 1.00 0.00 C ATOM 198 CD ARG A 13 -8.590 -3.560 2.981 1.00 0.00 C ATOM 199 NE ARG A 13 -10.071 -3.586 2.861 1.00 0.00 N ATOM 200 CZ ARG A 13 -10.836 -4.602 2.358 1.00 0.00 C ATOM 201 NH1 ARG A 13 -10.315 -5.736 1.861 1.00 0.00 N ATOM 202 NH2 ARG A 13 -12.155 -4.461 2.349 1.00 0.00 N ATOM 203 H ARG A 13 -6.306 -1.028 -0.821 1.00 0.00 H ATOM 204 HA ARG A 13 -8.752 -2.345 0.131 1.00 0.00 H ATOM 205 HB2 ARG A 13 -6.592 -2.618 1.408 1.00 0.00 H ATOM 206 HG2 ARG A 13 -7.356 -1.989 3.752 1.00 0.00 H ATOM 207 HD2 ARG A 13 -8.166 -4.138 2.175 1.00 0.00 H ATOM 208 HE ARG A 13 -10.544 -2.790 3.189 1.00 0.00 H ATOM 209 HH11 ARG A 13 -9.322 -5.869 1.849 1.00 0.00 H ATOM 210 HH12 ARG A 13 -10.921 -6.449 1.503 1.00 0.00 H ATOM 211 HH21 ARG A 13 -12.569 -3.624 2.707 1.00 0.00 H ATOM 212 HH22 ARG A 13 -12.731 -5.190 1.984 1.00 0.00 H ATOM 213 N PHE A 14 -8.326 0.972 0.399 1.00 0.00 N ATOM 214 CA PHE A 14 -8.999 2.311 0.486 1.00 0.00 C ATOM 215 C PHE A 14 -9.227 2.957 -0.912 1.00 0.00 C ATOM 216 O PHE A 14 -8.317 2.951 -1.773 1.00 0.00 O ATOM 217 CB PHE A 14 -8.196 3.291 1.420 1.00 0.00 C ATOM 218 CG PHE A 14 -8.351 3.088 2.936 1.00 0.00 C ATOM 219 CD1 PHE A 14 -7.519 2.212 3.637 1.00 0.00 C ATOM 220 CD2 PHE A 14 -9.315 3.797 3.656 1.00 0.00 C ATOM 221 CE1 PHE A 14 -7.652 2.047 5.006 1.00 0.00 C ATOM 222 CE2 PHE A 14 -9.447 3.629 5.024 1.00 0.00 C ATOM 223 CZ PHE A 14 -8.616 2.756 5.697 1.00 0.00 C ATOM 224 H PHE A 14 -7.350 0.943 0.388 1.00 0.00 H ATOM 225 HA PHE A 14 -9.969 2.141 0.932 1.00 0.00 H ATOM 226 HB2 PHE A 14 -7.145 3.198 1.194 1.00 0.00 H ATOM 227 HD1 PHE A 14 -6.767 1.652 3.100 1.00 0.00 H ATOM 228 HD2 PHE A 14 -9.966 4.482 3.134 1.00 0.00 H ATOM 229 HE1 PHE A 14 -7.001 1.366 5.532 1.00 0.00 H ATOM 230 HE2 PHE A 14 -10.200 4.182 5.564 1.00 0.00 H ATOM 231 HZ PHE A 14 -8.720 2.626 6.763 1.00 0.00 H ATOM 232 N GLY A 15 -10.471 3.496 -1.112 1.00 0.00 N ATOM 233 CA GLY A 15 -10.890 4.156 -2.374 1.00 0.00 C ATOM 234 C GLY A 15 -10.682 5.681 -2.416 1.00 0.00 C ATOM 235 O GLY A 15 -11.490 6.362 -3.082 1.00 0.00 O ATOM 236 OXT GLY A 15 -9.711 6.185 -1.806 1.00 0.00 O ATOM 237 H GLY A 15 -11.118 3.440 -0.379 1.00 0.00 H ATOM 238 HA2 GLY A 15 -10.330 3.718 -3.186 1.00 0.00 H ATOM 239 HA3 GLY A 15 -11.938 3.951 -2.536 1.00 0.00 H TER 240 GLY A 15 ENDMDL MODEL 8 ATOM 1 N ASP A 1 10.395 -5.901 3.065 1.00 0.00 N ATOM 2 CA ASP A 1 9.193 -5.242 2.472 1.00 0.00 C ATOM 3 C ASP A 1 9.458 -3.745 2.180 1.00 0.00 C ATOM 4 O ASP A 1 10.007 -3.013 3.032 1.00 0.00 O ATOM 5 CB ASP A 1 7.954 -5.421 3.396 1.00 0.00 C ATOM 6 CG ASP A 1 7.340 -6.824 3.349 1.00 0.00 C ATOM 7 OD1 ASP A 1 6.473 -7.070 2.480 1.00 0.00 O ATOM 8 OD2 ASP A 1 7.721 -7.670 4.189 1.00 0.00 O ATOM 9 H1 ASP A 1 11.200 -5.831 2.413 1.00 0.00 H ATOM 10 H2 ASP A 1 10.195 -6.906 3.247 1.00 0.00 H ATOM 11 H3 ASP A 1 10.648 -5.442 3.963 1.00 0.00 H ATOM 12 HA ASP A 1 8.989 -5.731 1.528 1.00 0.00 H ATOM 13 HB2 ASP A 1 8.247 -5.220 4.414 1.00 0.00 H HETATM 14 N SEP A 2 9.056 -3.316 0.940 1.00 0.00 N HETATM 15 CA SEP A 2 9.240 -1.930 0.414 1.00 0.00 C HETATM 16 CB SEP A 2 9.505 -1.988 -1.110 1.00 0.00 C HETATM 17 OG SEP A 2 10.804 -2.534 -1.352 1.00 0.00 O HETATM 18 C SEP A 2 8.037 -0.985 0.725 1.00 0.00 C HETATM 19 O SEP A 2 6.893 -1.450 0.926 1.00 0.00 O HETATM 20 P SEP A 2 11.948 -1.624 -2.027 1.00 0.00 P HETATM 21 O1P SEP A 2 13.371 -2.305 -2.340 1.00 0.00 O HETATM 22 O2P SEP A 2 12.523 -1.558 -0.526 1.00 0.00 O HETATM 23 O3P SEP A 2 11.817 -0.150 -2.030 1.00 0.00 O HETATM 24 H SEP A 2 8.621 -3.969 0.354 1.00 0.00 H HETATM 25 HA SEP A 2 10.120 -1.523 0.894 1.00 0.00 H HETATM 26 HB2 SEP A 2 9.454 -0.992 -1.519 1.00 0.00 H HETATM 27 HB3 SEP A 2 8.754 -2.609 -1.579 1.00 0.00 H HETATM 28 HOP2 SEP A 2 12.041 -0.848 -0.012 1.00 0.00 H HETATM 29 N SEP A 3 8.331 0.364 0.731 1.00 0.00 N HETATM 30 CA SEP A 3 7.358 1.464 1.047 1.00 0.00 C HETATM 31 CB SEP A 3 8.148 2.748 1.404 1.00 0.00 C HETATM 32 OG SEP A 3 7.246 3.810 1.720 1.00 0.00 O HETATM 33 C SEP A 3 6.313 1.740 -0.085 1.00 0.00 C HETATM 34 O SEP A 3 5.195 2.211 0.205 1.00 0.00 O HETATM 35 P SEP A 3 7.596 5.324 1.297 1.00 0.00 P HETATM 36 O1P SEP A 3 6.238 6.162 1.506 1.00 0.00 O HETATM 37 O2P SEP A 3 8.653 5.876 2.378 1.00 0.00 O HETATM 38 O3P SEP A 3 8.073 5.407 -0.102 1.00 0.00 O HETATM 39 H SEP A 3 9.251 0.625 0.509 1.00 0.00 H HETATM 40 HA SEP A 3 6.814 1.152 1.916 1.00 0.00 H HETATM 41 HB2 SEP A 3 8.762 3.034 0.563 1.00 0.00 H HETATM 42 HB3 SEP A 3 8.781 2.546 2.258 1.00 0.00 H HETATM 43 HOP2 SEP A 3 8.293 6.707 2.803 1.00 0.00 H ATOM 44 N GLU A 4 6.682 1.376 -1.357 1.00 0.00 N ATOM 45 CA GLU A 4 5.794 1.456 -2.566 1.00 0.00 C ATOM 46 C GLU A 4 4.746 0.288 -2.640 1.00 0.00 C ATOM 47 O GLU A 4 3.606 0.504 -3.085 1.00 0.00 O ATOM 48 CB GLU A 4 6.633 1.609 -3.897 1.00 0.00 C ATOM 49 CG GLU A 4 7.732 0.545 -4.195 1.00 0.00 C ATOM 50 CD GLU A 4 8.478 0.787 -5.503 1.00 0.00 C ATOM 51 OE1 GLU A 4 8.011 0.303 -6.561 1.00 0.00 O ATOM 52 OE2 GLU A 4 9.542 1.447 -5.469 1.00 0.00 O ATOM 53 H GLU A 4 7.588 1.034 -1.479 1.00 0.00 H ATOM 54 HA GLU A 4 5.224 2.359 -2.439 1.00 0.00 H ATOM 55 HB2 GLU A 4 5.947 1.600 -4.728 1.00 0.00 H ATOM 56 HG2 GLU A 4 8.450 0.559 -3.389 1.00 0.00 H ATOM 57 N GLU A 5 5.152 -0.915 -2.118 1.00 0.00 N ATOM 58 CA GLU A 5 4.287 -2.140 -1.989 1.00 0.00 C ATOM 59 C GLU A 5 3.305 -2.057 -0.776 1.00 0.00 C ATOM 60 O GLU A 5 2.207 -2.645 -0.820 1.00 0.00 O ATOM 61 CB GLU A 5 5.160 -3.436 -1.901 1.00 0.00 C ATOM 62 CG GLU A 5 5.762 -3.947 -3.235 1.00 0.00 C ATOM 63 CD GLU A 5 4.824 -4.836 -4.067 1.00 0.00 C ATOM 64 OE1 GLU A 5 4.070 -4.292 -4.906 1.00 0.00 O ATOM 65 OE2 GLU A 5 4.860 -6.075 -3.888 1.00 0.00 O ATOM 66 H GLU A 5 6.075 -0.971 -1.804 1.00 0.00 H ATOM 67 HA GLU A 5 3.692 -2.191 -2.879 1.00 0.00 H ATOM 68 HB2 GLU A 5 5.980 -3.247 -1.226 1.00 0.00 H ATOM 69 HG2 GLU A 5 6.033 -3.093 -3.835 1.00 0.00 H ATOM 70 N LYS A 6 3.716 -1.263 0.270 1.00 0.00 N ATOM 71 CA LYS A 6 2.883 -0.885 1.450 1.00 0.00 C ATOM 72 C LYS A 6 1.808 0.206 1.096 1.00 0.00 C ATOM 73 O LYS A 6 0.682 0.159 1.620 1.00 0.00 O ATOM 74 CB LYS A 6 3.816 -0.410 2.601 1.00 0.00 C ATOM 75 CG LYS A 6 3.511 -1.009 3.980 1.00 0.00 C ATOM 76 CD LYS A 6 4.534 -0.557 5.015 1.00 0.00 C ATOM 77 CE LYS A 6 4.217 -1.097 6.404 1.00 0.00 C ATOM 78 NZ LYS A 6 5.217 -0.647 7.412 1.00 0.00 N ATOM 79 H LYS A 6 4.632 -0.933 0.240 1.00 0.00 H ATOM 80 HA LYS A 6 2.372 -1.767 1.761 1.00 0.00 H ATOM 81 HB2 LYS A 6 4.833 -0.666 2.347 1.00 0.00 H ATOM 82 HG2 LYS A 6 2.528 -0.690 4.292 1.00 0.00 H ATOM 83 HD2 LYS A 6 5.506 -0.916 4.718 1.00 0.00 H ATOM 84 HE2 LYS A 6 3.239 -0.747 6.697 1.00 0.00 H ATOM 85 HZ1 LYS A 6 5.225 0.392 7.471 1.00 0.00 H ATOM 86 HZ2 LYS A 6 6.166 -0.978 7.145 1.00 0.00 H ATOM 87 HZ3 LYS A 6 4.979 -1.034 8.346 1.00 0.00 H ATOM 88 N PHE A 7 2.178 1.127 0.143 1.00 0.00 N ATOM 89 CA PHE A 7 1.312 2.237 -0.376 1.00 0.00 C ATOM 90 C PHE A 7 0.274 1.768 -1.456 1.00 0.00 C ATOM 91 O PHE A 7 -0.812 2.369 -1.566 1.00 0.00 O ATOM 92 CB PHE A 7 2.232 3.373 -0.943 1.00 0.00 C ATOM 93 CG PHE A 7 1.896 4.815 -0.528 1.00 0.00 C ATOM 94 CD1 PHE A 7 1.033 5.600 -1.296 1.00 0.00 C ATOM 95 CD2 PHE A 7 2.470 5.391 0.610 1.00 0.00 C ATOM 96 CE1 PHE A 7 0.746 6.906 -0.934 1.00 0.00 C ATOM 97 CE2 PHE A 7 2.184 6.699 0.966 1.00 0.00 C ATOM 98 CZ PHE A 7 1.322 7.455 0.194 1.00 0.00 C ATOM 99 H PHE A 7 3.090 1.052 -0.215 1.00 0.00 H ATOM 100 HA PHE A 7 0.765 2.625 0.458 1.00 0.00 H ATOM 101 HB2 PHE A 7 3.245 3.181 -0.626 1.00 0.00 H ATOM 102 HD1 PHE A 7 0.580 5.177 -2.178 1.00 0.00 H ATOM 103 HD2 PHE A 7 3.142 4.804 1.219 1.00 0.00 H ATOM 104 HE1 PHE A 7 0.073 7.496 -1.538 1.00 0.00 H ATOM 105 HE2 PHE A 7 2.637 7.130 1.849 1.00 0.00 H ATOM 106 HZ PHE A 7 1.100 8.473 0.473 1.00 0.00 H ATOM 107 N LEU A 8 0.609 0.654 -2.189 1.00 0.00 N ATOM 108 CA LEU A 8 -0.239 0.055 -3.268 1.00 0.00 C ATOM 109 C LEU A 8 -1.218 -1.026 -2.729 1.00 0.00 C ATOM 110 O LEU A 8 -2.300 -1.232 -3.315 1.00 0.00 O ATOM 111 CB LEU A 8 0.622 -0.510 -4.458 1.00 0.00 C ATOM 112 CG LEU A 8 1.153 0.503 -5.518 1.00 0.00 C ATOM 113 CD1 LEU A 8 2.386 -0.066 -6.209 1.00 0.00 C ATOM 114 CD2 LEU A 8 0.098 0.837 -6.586 1.00 0.00 C ATOM 115 H LEU A 8 1.437 0.211 -1.965 1.00 0.00 H ATOM 116 HA LEU A 8 -0.836 0.857 -3.641 1.00 0.00 H ATOM 117 HB2 LEU A 8 1.475 -1.019 -4.036 1.00 0.00 H ATOM 118 HG LEU A 8 1.438 1.421 -5.022 1.00 0.00 H ATOM 119 HD11 LEU A 8 2.122 -0.986 -6.709 1.00 0.00 H ATOM 120 HD12 LEU A 8 2.754 0.646 -6.933 1.00 0.00 H ATOM 121 HD13 LEU A 8 3.153 -0.262 -5.474 1.00 0.00 H ATOM 122 HD21 LEU A 8 -0.782 1.249 -6.110 1.00 0.00 H ATOM 123 HD22 LEU A 8 0.501 1.558 -7.280 1.00 0.00 H ATOM 124 HD23 LEU A 8 -0.171 -0.065 -7.119 1.00 0.00 H ATOM 125 N ARG A 9 -0.834 -1.677 -1.581 1.00 0.00 N ATOM 126 CA ARG A 9 -1.744 -2.550 -0.764 1.00 0.00 C ATOM 127 C ARG A 9 -2.700 -1.715 0.142 1.00 0.00 C ATOM 128 O ARG A 9 -3.825 -2.166 0.435 1.00 0.00 O ATOM 129 CB ARG A 9 -0.959 -3.593 0.085 1.00 0.00 C ATOM 130 CG ARG A 9 -0.460 -4.824 -0.699 1.00 0.00 C ATOM 131 CD ARG A 9 0.195 -5.891 0.198 1.00 0.00 C ATOM 132 NE ARG A 9 1.560 -5.523 0.688 1.00 0.00 N ATOM 133 CZ ARG A 9 2.609 -6.374 0.910 1.00 0.00 C ATOM 134 NH1 ARG A 9 2.575 -7.682 0.603 1.00 0.00 N ATOM 135 NH2 ARG A 9 3.725 -5.885 1.435 1.00 0.00 N ATOM 136 H ARG A 9 0.094 -1.565 -1.284 1.00 0.00 H ATOM 137 HA ARG A 9 -2.359 -3.079 -1.466 1.00 0.00 H ATOM 138 HB2 ARG A 9 -0.101 -3.106 0.520 1.00 0.00 H ATOM 139 HG2 ARG A 9 -1.303 -5.275 -1.203 1.00 0.00 H ATOM 140 HD2 ARG A 9 -0.442 -6.054 1.054 1.00 0.00 H ATOM 141 HE ARG A 9 1.699 -4.575 0.899 1.00 0.00 H ATOM 142 HH11 ARG A 9 1.756 -8.079 0.189 1.00 0.00 H ATOM 143 HH12 ARG A 9 3.371 -8.258 0.787 1.00 0.00 H ATOM 144 HH21 ARG A 9 3.787 -4.914 1.661 1.00 0.00 H ATOM 145 HH22 ARG A 9 4.504 -6.489 1.604 1.00 0.00 H ATOM 146 N ARG A 10 -2.261 -0.453 0.503 1.00 0.00 N ATOM 147 CA ARG A 10 -3.100 0.544 1.240 1.00 0.00 C ATOM 148 C ARG A 10 -4.231 1.147 0.331 1.00 0.00 C ATOM 149 O ARG A 10 -5.381 1.266 0.786 1.00 0.00 O ATOM 150 CB ARG A 10 -2.213 1.666 1.865 1.00 0.00 C ATOM 151 CG ARG A 10 -2.713 2.217 3.219 1.00 0.00 C ATOM 152 CD ARG A 10 -2.010 3.521 3.634 1.00 0.00 C ATOM 153 NE ARG A 10 -2.507 4.720 2.892 1.00 0.00 N ATOM 154 CZ ARG A 10 -2.588 6.001 3.360 1.00 0.00 C ATOM 155 NH1 ARG A 10 -2.217 6.352 4.602 1.00 0.00 N ATOM 156 NH2 ARG A 10 -3.054 6.947 2.552 1.00 0.00 N ATOM 157 H ARG A 10 -1.337 -0.203 0.262 1.00 0.00 H ATOM 158 HA ARG A 10 -3.574 0.008 2.028 1.00 0.00 H ATOM 159 HB2 ARG A 10 -1.220 1.275 2.015 1.00 0.00 H ATOM 160 HG2 ARG A 10 -3.774 2.408 3.146 1.00 0.00 H ATOM 161 HD2 ARG A 10 -2.172 3.676 4.690 1.00 0.00 H ATOM 162 HE ARG A 10 -2.800 4.563 1.970 1.00 0.00 H ATOM 163 HH11 ARG A 10 -1.863 5.662 5.230 1.00 0.00 H ATOM 164 HH12 ARG A 10 -2.295 7.305 4.895 1.00 0.00 H ATOM 165 HH21 ARG A 10 -3.335 6.714 1.620 1.00 0.00 H ATOM 166 HH22 ARG A 10 -3.129 7.889 2.877 1.00 0.00 H ATOM 167 N ILE A 11 -3.881 1.454 -0.959 1.00 0.00 N ATOM 168 CA ILE A 11 -4.839 1.995 -1.974 1.00 0.00 C ATOM 169 C ILE A 11 -5.555 0.862 -2.836 1.00 0.00 C ATOM 170 O ILE A 11 -6.453 1.163 -3.649 1.00 0.00 O ATOM 171 CB ILE A 11 -4.174 3.217 -2.821 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.236 4.175 -3.462 1.00 0.00 C ATOM 173 CG2 ILE A 11 -3.156 2.782 -3.906 1.00 0.00 C ATOM 174 CD1 ILE A 11 -6.091 4.968 -2.466 1.00 0.00 C ATOM 175 H ILE A 11 -2.948 1.311 -1.222 1.00 0.00 H ATOM 176 HA ILE A 11 -5.628 2.443 -1.385 1.00 0.00 H ATOM 177 HB ILE A 11 -3.612 3.798 -2.107 1.00 0.00 H ATOM 178 HG12 ILE A 11 -4.725 4.887 -4.089 1.00 0.00 H ATOM 179 HG21 ILE A 11 -2.778 3.656 -4.418 1.00 0.00 H ATOM 180 HG22 ILE A 11 -2.337 2.259 -3.438 1.00 0.00 H ATOM 181 HG23 ILE A 11 -3.641 2.131 -4.616 1.00 0.00 H ATOM 182 HD11 ILE A 11 -6.567 4.268 -1.782 1.00 0.00 H ATOM 183 HD12 ILE A 11 -5.460 5.644 -1.909 1.00 0.00 H ATOM 184 HD13 ILE A 11 -6.846 5.527 -2.997 1.00 0.00 H ATOM 185 N GLY A 12 -5.138 -0.415 -2.610 1.00 0.00 N ATOM 186 CA GLY A 12 -5.866 -1.611 -3.088 1.00 0.00 C ATOM 187 C GLY A 12 -6.997 -2.069 -2.148 1.00 0.00 C ATOM 188 O GLY A 12 -8.003 -2.617 -2.627 1.00 0.00 O ATOM 189 H GLY A 12 -4.297 -0.544 -2.120 1.00 0.00 H ATOM 190 HA2 GLY A 12 -6.287 -1.400 -4.057 1.00 0.00 H ATOM 191 HA3 GLY A 12 -5.159 -2.421 -3.185 1.00 0.00 H ATOM 192 N ARG A 13 -6.805 -1.832 -0.807 1.00 0.00 N ATOM 193 CA ARG A 13 -7.774 -2.245 0.262 1.00 0.00 C ATOM 194 C ARG A 13 -8.781 -1.124 0.687 1.00 0.00 C ATOM 195 O ARG A 13 -9.878 -1.445 1.188 1.00 0.00 O ATOM 196 CB ARG A 13 -7.034 -2.857 1.509 1.00 0.00 C ATOM 197 CG ARG A 13 -6.350 -4.249 1.303 1.00 0.00 C ATOM 198 CD ARG A 13 -7.323 -5.454 1.249 1.00 0.00 C ATOM 199 NE ARG A 13 -7.735 -5.952 2.589 1.00 0.00 N ATOM 200 CZ ARG A 13 -8.691 -6.896 2.849 1.00 0.00 C ATOM 201 NH1 ARG A 13 -9.411 -7.495 1.883 1.00 0.00 N ATOM 202 NH2 ARG A 13 -8.924 -7.238 4.109 1.00 0.00 N ATOM 203 H ARG A 13 -5.992 -1.330 -0.535 1.00 0.00 H ATOM 204 HA ARG A 13 -8.365 -3.027 -0.176 1.00 0.00 H ATOM 205 HB2 ARG A 13 -6.269 -2.164 1.822 1.00 0.00 H ATOM 206 HG2 ARG A 13 -5.799 -4.222 0.377 1.00 0.00 H ATOM 207 HD2 ARG A 13 -8.208 -5.153 0.709 1.00 0.00 H ATOM 208 HE ARG A 13 -7.266 -5.565 3.357 1.00 0.00 H ATOM 209 HH11 ARG A 13 -9.258 -7.256 0.924 1.00 0.00 H ATOM 210 HH12 ARG A 13 -10.102 -8.178 2.124 1.00 0.00 H ATOM 211 HH21 ARG A 13 -8.405 -6.808 4.849 1.00 0.00 H ATOM 212 HH22 ARG A 13 -9.617 -7.927 4.319 1.00 0.00 H ATOM 213 N PHE A 14 -8.408 0.182 0.450 1.00 0.00 N ATOM 214 CA PHE A 14 -9.249 1.386 0.789 1.00 0.00 C ATOM 215 C PHE A 14 -10.408 1.647 -0.251 1.00 0.00 C ATOM 216 O PHE A 14 -11.511 2.052 0.164 1.00 0.00 O ATOM 217 CB PHE A 14 -8.319 2.648 0.936 1.00 0.00 C ATOM 218 CG PHE A 14 -8.766 3.756 1.915 1.00 0.00 C ATOM 219 CD1 PHE A 14 -8.436 3.698 3.274 1.00 0.00 C ATOM 220 CD2 PHE A 14 -9.484 4.867 1.463 1.00 0.00 C ATOM 221 CE1 PHE A 14 -8.817 4.708 4.144 1.00 0.00 C ATOM 222 CE2 PHE A 14 -9.866 5.873 2.335 1.00 0.00 C ATOM 223 CZ PHE A 14 -9.532 5.793 3.672 1.00 0.00 C ATOM 224 H PHE A 14 -7.524 0.334 0.048 1.00 0.00 H ATOM 225 HA PHE A 14 -9.705 1.190 1.748 1.00 0.00 H ATOM 226 HB2 PHE A 14 -7.349 2.314 1.262 1.00 0.00 H ATOM 227 HD1 PHE A 14 -7.880 2.850 3.647 1.00 0.00 H ATOM 228 HD2 PHE A 14 -9.748 4.936 0.417 1.00 0.00 H ATOM 229 HE1 PHE A 14 -8.556 4.647 5.189 1.00 0.00 H ATOM 230 HE2 PHE A 14 -10.424 6.721 1.967 1.00 0.00 H ATOM 231 HZ PHE A 14 -9.829 6.579 4.350 1.00 0.00 H ATOM 232 N GLY A 15 -10.136 1.396 -1.578 1.00 0.00 N ATOM 233 CA GLY A 15 -11.126 1.587 -2.667 1.00 0.00 C ATOM 234 C GLY A 15 -11.948 0.337 -3.012 1.00 0.00 C ATOM 235 O GLY A 15 -13.138 0.494 -3.363 1.00 0.00 O ATOM 236 OXT GLY A 15 -11.400 -0.787 -2.951 1.00 0.00 O ATOM 237 H GLY A 15 -9.240 1.074 -1.811 1.00 0.00 H ATOM 238 HA2 GLY A 15 -11.809 2.371 -2.377 1.00 0.00 H ATOM 239 HA3 GLY A 15 -10.600 1.906 -3.556 1.00 0.00 H TER 240 GLY A 15 ENDMDL MODEL 9 ATOM 1 N ASP A 1 12.387 0.787 1.056 1.00 0.00 N ATOM 2 CA ASP A 1 12.382 -0.539 0.356 1.00 0.00 C ATOM 3 C ASP A 1 10.973 -1.207 0.365 1.00 0.00 C ATOM 4 O ASP A 1 10.540 -1.737 -0.674 1.00 0.00 O ATOM 5 CB ASP A 1 13.521 -1.493 0.899 1.00 0.00 C ATOM 6 CG ASP A 1 13.566 -1.731 2.427 1.00 0.00 C ATOM 7 OD1 ASP A 1 12.893 -2.670 2.905 1.00 0.00 O ATOM 8 OD2 ASP A 1 14.279 -0.977 3.127 1.00 0.00 O ATOM 9 H1 ASP A 1 12.085 0.670 2.046 1.00 0.00 H ATOM 10 H2 ASP A 1 11.738 1.444 0.581 1.00 0.00 H ATOM 11 H3 ASP A 1 13.345 1.194 1.043 1.00 0.00 H ATOM 12 HA ASP A 1 12.609 -0.327 -0.683 1.00 0.00 H ATOM 13 HB2 ASP A 1 13.411 -2.456 0.429 1.00 0.00 H HETATM 14 N SEP A 2 10.268 -1.153 1.548 1.00 0.00 N HETATM 15 CA SEP A 2 8.904 -1.732 1.752 1.00 0.00 C HETATM 16 CB SEP A 2 8.811 -2.290 3.192 1.00 0.00 C HETATM 17 OG SEP A 2 9.759 -3.346 3.362 1.00 0.00 O HETATM 18 C SEP A 2 7.728 -0.730 1.472 1.00 0.00 C HETATM 19 O SEP A 2 6.550 -1.144 1.481 1.00 0.00 O HETATM 20 P SEP A 2 9.337 -4.880 3.118 1.00 0.00 P HETATM 21 O1P SEP A 2 7.780 -5.273 3.240 1.00 0.00 O HETATM 22 O2P SEP A 2 9.273 -4.919 4.727 1.00 0.00 O HETATM 23 O3P SEP A 2 10.370 -5.940 3.140 1.00 0.00 O HETATM 24 H SEP A 2 10.694 -0.710 2.312 1.00 0.00 H HETATM 25 HA SEP A 2 8.806 -2.557 1.064 1.00 0.00 H HETATM 26 HB2 SEP A 2 7.814 -2.667 3.364 1.00 0.00 H HETATM 27 HB3 SEP A 2 9.021 -1.496 3.895 1.00 0.00 H HETATM 28 HOP2 SEP A 2 8.349 -4.687 5.028 1.00 0.00 H HETATM 29 N SEP A 3 8.071 0.565 1.131 1.00 0.00 N HETATM 30 CA SEP A 3 7.103 1.709 1.004 1.00 0.00 C HETATM 31 CB SEP A 3 7.879 3.049 1.078 1.00 0.00 C HETATM 32 OG SEP A 3 6.966 4.149 1.031 1.00 0.00 O HETATM 33 C SEP A 3 6.194 1.670 -0.271 1.00 0.00 C HETATM 34 O SEP A 3 5.068 2.205 -0.238 1.00 0.00 O HETATM 35 P SEP A 3 6.980 5.271 2.185 1.00 0.00 P HETATM 36 O1P SEP A 3 6.181 6.532 1.583 1.00 0.00 O HETATM 37 O2P SEP A 3 6.093 4.701 3.403 1.00 0.00 O HETATM 38 O3P SEP A 3 8.358 5.643 2.576 1.00 0.00 O HETATM 39 H SEP A 3 9.018 0.752 0.958 1.00 0.00 H HETATM 40 HA SEP A 3 6.459 1.653 1.856 1.00 0.00 H HETATM 41 HB2 SEP A 3 8.558 3.113 0.242 1.00 0.00 H HETATM 42 HB3 SEP A 3 8.440 3.087 2.002 1.00 0.00 H HETATM 43 HOP2 SEP A 3 5.941 3.721 3.274 1.00 0.00 H ATOM 44 N GLU A 4 6.669 0.974 -1.356 1.00 0.00 N ATOM 45 CA GLU A 4 5.930 0.810 -2.652 1.00 0.00 C ATOM 46 C GLU A 4 4.812 -0.284 -2.567 1.00 0.00 C ATOM 47 O GLU A 4 3.691 -0.065 -3.062 1.00 0.00 O ATOM 48 CB GLU A 4 6.927 0.515 -3.809 1.00 0.00 C ATOM 49 CG GLU A 4 6.766 1.434 -5.032 1.00 0.00 C ATOM 50 CD GLU A 4 7.716 1.108 -6.180 1.00 0.00 C ATOM 51 OE1 GLU A 4 7.338 0.297 -7.057 1.00 0.00 O ATOM 52 OE2 GLU A 4 8.830 1.681 -6.217 1.00 0.00 O ATOM 53 H GLU A 4 7.545 0.552 -1.269 1.00 0.00 H ATOM 54 HA GLU A 4 5.449 1.746 -2.851 1.00 0.00 H ATOM 55 HB2 GLU A 4 7.934 0.622 -3.436 1.00 0.00 H ATOM 56 HG2 GLU A 4 5.755 1.342 -5.395 1.00 0.00 H ATOM 57 N GLU A 5 5.129 -1.410 -1.855 1.00 0.00 N ATOM 58 CA GLU A 5 4.186 -2.549 -1.578 1.00 0.00 C ATOM 59 C GLU A 5 3.158 -2.220 -0.448 1.00 0.00 C ATOM 60 O GLU A 5 2.040 -2.767 -0.447 1.00 0.00 O ATOM 61 CB GLU A 5 4.977 -3.861 -1.250 1.00 0.00 C ATOM 62 CG GLU A 5 5.571 -4.617 -2.466 1.00 0.00 C ATOM 63 CD GLU A 5 4.597 -5.582 -3.159 1.00 0.00 C ATOM 64 OE1 GLU A 5 4.550 -6.769 -2.765 1.00 0.00 O ATOM 65 OE2 GLU A 5 3.896 -5.148 -4.102 1.00 0.00 O ATOM 66 H GLU A 5 6.035 -1.467 -1.500 1.00 0.00 H ATOM 67 HA GLU A 5 3.630 -2.709 -2.481 1.00 0.00 H ATOM 68 HB2 GLU A 5 5.795 -3.609 -0.592 1.00 0.00 H ATOM 69 HG2 GLU A 5 5.896 -3.888 -3.192 1.00 0.00 H ATOM 70 N LYS A 6 3.550 -1.263 0.463 1.00 0.00 N ATOM 71 CA LYS A 6 2.689 -0.676 1.534 1.00 0.00 C ATOM 72 C LYS A 6 1.616 0.317 0.962 1.00 0.00 C ATOM 73 O LYS A 6 0.464 0.297 1.420 1.00 0.00 O ATOM 74 CB LYS A 6 3.593 0.018 2.598 1.00 0.00 C ATOM 75 CG LYS A 6 3.167 -0.175 4.062 1.00 0.00 C ATOM 76 CD LYS A 6 4.163 0.476 5.018 1.00 0.00 C ATOM 77 CE LYS A 6 3.742 0.323 6.475 1.00 0.00 C ATOM 78 NZ LYS A 6 4.760 0.889 7.405 1.00 0.00 N ATOM 79 H LYS A 6 4.471 -0.952 0.407 1.00 0.00 H ATOM 80 HA LYS A 6 2.177 -1.487 1.994 1.00 0.00 H ATOM 81 HB2 LYS A 6 4.597 -0.362 2.496 1.00 0.00 H ATOM 82 HG2 LYS A 6 2.196 0.276 4.208 1.00 0.00 H ATOM 83 HD2 LYS A 6 5.129 0.011 4.884 1.00 0.00 H ATOM 84 HE2 LYS A 6 2.807 0.844 6.620 1.00 0.00 H ATOM 85 HZ1 LYS A 6 4.899 1.900 7.208 1.00 0.00 H ATOM 86 HZ2 LYS A 6 5.668 0.395 7.286 1.00 0.00 H ATOM 87 HZ3 LYS A 6 4.445 0.780 8.390 1.00 0.00 H ATOM 88 N PHE A 7 2.016 1.119 -0.082 1.00 0.00 N ATOM 89 CA PHE A 7 1.138 2.120 -0.777 1.00 0.00 C ATOM 90 C PHE A 7 0.190 1.513 -1.859 1.00 0.00 C ATOM 91 O PHE A 7 -0.879 2.094 -2.132 1.00 0.00 O ATOM 92 CB PHE A 7 2.007 3.259 -1.406 1.00 0.00 C ATOM 93 CG PHE A 7 2.031 4.589 -0.639 1.00 0.00 C ATOM 94 CD1 PHE A 7 2.959 4.821 0.382 1.00 0.00 C ATOM 95 CD2 PHE A 7 1.135 5.615 -0.952 1.00 0.00 C ATOM 96 CE1 PHE A 7 2.985 6.024 1.064 1.00 0.00 C ATOM 97 CE2 PHE A 7 1.164 6.820 -0.269 1.00 0.00 C ATOM 98 CZ PHE A 7 2.086 7.023 0.737 1.00 0.00 C ATOM 99 H PHE A 7 2.945 1.032 -0.379 1.00 0.00 H ATOM 100 HA PHE A 7 0.518 2.558 -0.020 1.00 0.00 H ATOM 101 HB2 PHE A 7 3.026 2.911 -1.479 1.00 0.00 H ATOM 102 HD1 PHE A 7 3.664 4.044 0.641 1.00 0.00 H ATOM 103 HD2 PHE A 7 0.408 5.459 -1.735 1.00 0.00 H ATOM 104 HE1 PHE A 7 3.706 6.185 1.850 1.00 0.00 H ATOM 105 HE2 PHE A 7 0.463 7.602 -0.525 1.00 0.00 H ATOM 106 HZ PHE A 7 2.107 7.962 1.269 1.00 0.00 H ATOM 107 N LEU A 8 0.574 0.323 -2.418 1.00 0.00 N ATOM 108 CA LEU A 8 -0.211 -0.408 -3.459 1.00 0.00 C ATOM 109 C LEU A 8 -1.230 -1.416 -2.856 1.00 0.00 C ATOM 110 O LEU A 8 -2.284 -1.678 -3.472 1.00 0.00 O ATOM 111 CB LEU A 8 0.717 -1.109 -4.508 1.00 0.00 C ATOM 112 CG LEU A 8 1.340 -0.222 -5.625 1.00 0.00 C ATOM 113 CD1 LEU A 8 2.622 -0.858 -6.140 1.00 0.00 C ATOM 114 CD2 LEU A 8 0.380 -0.026 -6.806 1.00 0.00 C ATOM 115 H LEU A 8 1.396 -0.077 -2.102 1.00 0.00 H ATOM 116 HA LEU A 8 -0.775 0.341 -3.965 1.00 0.00 H ATOM 117 HB2 LEU A 8 1.525 -1.581 -3.972 1.00 0.00 H ATOM 118 HG LEU A 8 1.583 0.749 -5.219 1.00 0.00 H ATOM 119 HD11 LEU A 8 2.402 -1.833 -6.548 1.00 0.00 H ATOM 120 HD12 LEU A 8 3.048 -0.233 -6.910 1.00 0.00 H ATOM 121 HD13 LEU A 8 3.326 -0.959 -5.326 1.00 0.00 H ATOM 122 HD21 LEU A 8 -0.526 0.450 -6.458 1.00 0.00 H ATOM 123 HD22 LEU A 8 0.851 0.597 -7.553 1.00 0.00 H ATOM 124 HD23 LEU A 8 0.140 -0.986 -7.238 1.00 0.00 H ATOM 125 N ARG A 9 -0.918 -1.933 -1.621 1.00 0.00 N ATOM 126 CA ARG A 9 -1.872 -2.718 -0.776 1.00 0.00 C ATOM 127 C ARG A 9 -2.853 -1.771 0.004 1.00 0.00 C ATOM 128 O ARG A 9 -3.997 -2.172 0.306 1.00 0.00 O ATOM 129 CB ARG A 9 -1.089 -3.678 0.190 1.00 0.00 C ATOM 130 CG ARG A 9 -1.795 -5.017 0.557 1.00 0.00 C ATOM 131 CD ARG A 9 -1.444 -6.205 -0.370 1.00 0.00 C ATOM 132 NE ARG A 9 -2.163 -6.180 -1.677 1.00 0.00 N ATOM 133 CZ ARG A 9 -2.652 -7.260 -2.360 1.00 0.00 C ATOM 134 NH1 ARG A 9 -2.635 -8.509 -1.863 1.00 0.00 N ATOM 135 NH2 ARG A 9 -3.193 -7.065 -3.557 1.00 0.00 N ATOM 136 H ARG A 9 -0.013 -1.773 -1.275 1.00 0.00 H ATOM 137 HA ARG A 9 -2.462 -3.311 -1.448 1.00 0.00 H ATOM 138 HB2 ARG A 9 -0.144 -3.921 -0.268 1.00 0.00 H ATOM 139 HG2 ARG A 9 -1.513 -5.285 1.563 1.00 0.00 H ATOM 140 HD2 ARG A 9 -0.382 -6.188 -0.563 1.00 0.00 H ATOM 141 HE ARG A 9 -2.268 -5.299 -2.095 1.00 0.00 H ATOM 142 HH11 ARG A 9 -2.255 -8.682 -0.953 1.00 0.00 H ATOM 143 HH12 ARG A 9 -3.005 -9.267 -2.401 1.00 0.00 H ATOM 144 HH21 ARG A 9 -3.236 -6.144 -3.941 1.00 0.00 H ATOM 145 HH22 ARG A 9 -3.555 -7.841 -4.074 1.00 0.00 H ATOM 146 N ARG A 10 -2.404 -0.486 0.244 1.00 0.00 N ATOM 147 CA ARG A 10 -3.251 0.601 0.831 1.00 0.00 C ATOM 148 C ARG A 10 -4.251 1.222 -0.190 1.00 0.00 C ATOM 149 O ARG A 10 -5.371 1.599 0.201 1.00 0.00 O ATOM 150 CB ARG A 10 -2.397 1.708 1.501 1.00 0.00 C ATOM 151 CG ARG A 10 -2.324 1.599 3.034 1.00 0.00 C ATOM 152 CD ARG A 10 -1.400 2.650 3.678 1.00 0.00 C ATOM 153 NE ARG A 10 -1.956 4.040 3.668 1.00 0.00 N ATOM 154 CZ ARG A 10 -1.663 5.049 4.546 1.00 0.00 C ATOM 155 NH1 ARG A 10 -0.877 4.881 5.621 1.00 0.00 N ATOM 156 NH2 ARG A 10 -2.193 6.248 4.341 1.00 0.00 N ATOM 157 H ARG A 10 -1.468 -0.279 0.011 1.00 0.00 H ATOM 158 HA ARG A 10 -3.832 0.130 1.588 1.00 0.00 H ATOM 159 HB2 ARG A 10 -1.390 1.656 1.110 1.00 0.00 H ATOM 160 HG2 ARG A 10 -3.318 1.726 3.433 1.00 0.00 H ATOM 161 HD2 ARG A 10 -1.221 2.362 4.702 1.00 0.00 H ATOM 162 HE ARG A 10 -2.573 4.251 2.937 1.00 0.00 H ATOM 163 HH11 ARG A 10 -0.475 3.986 5.811 1.00 0.00 H ATOM 164 HH12 ARG A 10 -0.696 5.649 6.234 1.00 0.00 H ATOM 165 HH21 ARG A 10 -2.796 6.402 3.560 1.00 0.00 H ATOM 166 HH22 ARG A 10 -1.985 6.999 4.968 1.00 0.00 H ATOM 167 N ILE A 11 -3.843 1.274 -1.497 1.00 0.00 N ATOM 168 CA ILE A 11 -4.712 1.738 -2.616 1.00 0.00 C ATOM 169 C ILE A 11 -5.524 0.558 -3.303 1.00 0.00 C ATOM 170 O ILE A 11 -6.416 0.813 -4.134 1.00 0.00 O ATOM 171 CB ILE A 11 -3.885 2.726 -3.600 1.00 0.00 C ATOM 172 CG1 ILE A 11 -4.764 3.913 -4.103 1.00 0.00 C ATOM 173 CG2 ILE A 11 -3.173 2.046 -4.802 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.097 4.966 -3.038 1.00 0.00 C ATOM 175 H ILE A 11 -2.927 0.994 -1.700 1.00 0.00 H ATOM 176 HA ILE A 11 -5.461 2.354 -2.139 1.00 0.00 H ATOM 177 HB ILE A 11 -3.097 3.149 -2.998 1.00 0.00 H ATOM 178 HG12 ILE A 11 -4.244 4.415 -4.904 1.00 0.00 H ATOM 179 HG21 ILE A 11 -2.493 1.290 -4.439 1.00 0.00 H ATOM 180 HG22 ILE A 11 -3.911 1.586 -5.444 1.00 0.00 H ATOM 181 HG23 ILE A 11 -2.621 2.788 -5.361 1.00 0.00 H ATOM 182 HD11 ILE A 11 -4.188 5.436 -2.694 1.00 0.00 H ATOM 183 HD12 ILE A 11 -5.758 5.709 -3.455 1.00 0.00 H ATOM 184 HD13 ILE A 11 -5.585 4.472 -2.201 1.00 0.00 H ATOM 185 N GLY A 12 -5.173 -0.705 -2.916 1.00 0.00 N ATOM 186 CA GLY A 12 -5.985 -1.904 -3.200 1.00 0.00 C ATOM 187 C GLY A 12 -7.055 -2.220 -2.127 1.00 0.00 C ATOM 188 O GLY A 12 -7.998 -2.970 -2.424 1.00 0.00 O ATOM 189 H GLY A 12 -4.319 -0.816 -2.443 1.00 0.00 H ATOM 190 HA2 GLY A 12 -6.482 -1.762 -4.145 1.00 0.00 H ATOM 191 HA3 GLY A 12 -5.322 -2.753 -3.286 1.00 0.00 H ATOM 192 N ARG A 13 -6.886 -1.651 -0.876 1.00 0.00 N ATOM 193 CA ARG A 13 -7.859 -1.818 0.253 1.00 0.00 C ATOM 194 C ARG A 13 -8.913 -0.657 0.329 1.00 0.00 C ATOM 195 O ARG A 13 -10.099 -0.924 0.597 1.00 0.00 O ATOM 196 CB ARG A 13 -7.085 -2.019 1.611 1.00 0.00 C ATOM 197 CG ARG A 13 -7.834 -2.788 2.733 1.00 0.00 C ATOM 198 CD ARG A 13 -7.628 -4.308 2.671 1.00 0.00 C ATOM 199 NE ARG A 13 -8.492 -5.025 3.643 1.00 0.00 N ATOM 200 CZ ARG A 13 -8.595 -6.378 3.800 1.00 0.00 C ATOM 201 NH1 ARG A 13 -7.873 -7.255 3.083 1.00 0.00 N ATOM 202 NH2 ARG A 13 -9.444 -6.852 4.704 1.00 0.00 N ATOM 203 H ARG A 13 -6.076 -1.091 -0.721 1.00 0.00 H ATOM 204 HA ARG A 13 -8.404 -2.716 0.045 1.00 0.00 H ATOM 205 HB2 ARG A 13 -6.176 -2.559 1.402 1.00 0.00 H ATOM 206 HG2 ARG A 13 -7.479 -2.435 3.687 1.00 0.00 H ATOM 207 HD2 ARG A 13 -7.865 -4.650 1.675 1.00 0.00 H ATOM 208 HE ARG A 13 -9.049 -4.464 4.219 1.00 0.00 H ATOM 209 HH11 ARG A 13 -7.223 -6.925 2.398 1.00 0.00 H ATOM 210 HH12 ARG A 13 -7.988 -8.238 3.230 1.00 0.00 H ATOM 211 HH21 ARG A 13 -9.995 -6.222 5.252 1.00 0.00 H ATOM 212 HH22 ARG A 13 -9.531 -7.839 4.838 1.00 0.00 H ATOM 213 N PHE A 14 -8.454 0.607 0.087 1.00 0.00 N ATOM 214 CA PHE A 14 -9.306 1.840 0.138 1.00 0.00 C ATOM 215 C PHE A 14 -9.927 2.220 -1.247 1.00 0.00 C ATOM 216 O PHE A 14 -11.118 2.581 -1.299 1.00 0.00 O ATOM 217 CB PHE A 14 -8.504 3.052 0.745 1.00 0.00 C ATOM 218 CG PHE A 14 -8.331 3.069 2.274 1.00 0.00 C ATOM 219 CD1 PHE A 14 -9.265 3.700 3.100 1.00 0.00 C ATOM 220 CD2 PHE A 14 -7.216 2.482 2.881 1.00 0.00 C ATOM 221 CE1 PHE A 14 -9.095 3.736 4.475 1.00 0.00 C ATOM 222 CE2 PHE A 14 -7.046 2.522 4.255 1.00 0.00 C ATOM 223 CZ PHE A 14 -7.986 3.147 5.050 1.00 0.00 C ATOM 224 H PHE A 14 -7.506 0.705 -0.133 1.00 0.00 H ATOM 225 HA PHE A 14 -10.125 1.619 0.805 1.00 0.00 H ATOM 226 HB2 PHE A 14 -7.514 3.051 0.319 1.00 0.00 H ATOM 227 HD1 PHE A 14 -10.135 4.161 2.656 1.00 0.00 H ATOM 228 HD2 PHE A 14 -6.480 1.989 2.265 1.00 0.00 H ATOM 229 HE1 PHE A 14 -9.831 4.225 5.097 1.00 0.00 H ATOM 230 HE2 PHE A 14 -6.178 2.065 4.705 1.00 0.00 H ATOM 231 HZ PHE A 14 -7.852 3.179 6.122 1.00 0.00 H ATOM 232 N GLY A 15 -9.112 2.116 -2.354 1.00 0.00 N ATOM 233 CA GLY A 15 -9.551 2.447 -3.733 1.00 0.00 C ATOM 234 C GLY A 15 -10.089 1.259 -4.544 1.00 0.00 C ATOM 235 O GLY A 15 -10.698 0.340 -3.949 1.00 0.00 O ATOM 236 OXT GLY A 15 -9.898 1.257 -5.778 1.00 0.00 O ATOM 237 H GLY A 15 -8.193 1.801 -2.220 1.00 0.00 H ATOM 238 HA2 GLY A 15 -10.326 3.192 -3.671 1.00 0.00 H ATOM 239 HA3 GLY A 15 -8.712 2.873 -4.264 1.00 0.00 H TER 240 GLY A 15 ENDMDL MODEL 10 ATOM 1 N ASP A 1 8.921 -4.068 4.632 1.00 0.00 N ATOM 2 CA ASP A 1 10.182 -3.297 4.429 1.00 0.00 C ATOM 3 C ASP A 1 9.986 -2.132 3.406 1.00 0.00 C ATOM 4 O ASP A 1 10.523 -1.031 3.633 1.00 0.00 O ATOM 5 CB ASP A 1 11.309 -4.272 3.982 1.00 0.00 C ATOM 6 CG ASP A 1 12.697 -3.920 4.527 1.00 0.00 C ATOM 7 OD1 ASP A 1 13.050 -4.410 5.622 1.00 0.00 O ATOM 8 OD2 ASP A 1 13.429 -3.164 3.849 1.00 0.00 O ATOM 9 H1 ASP A 1 9.076 -4.829 5.325 1.00 0.00 H ATOM 10 H2 ASP A 1 8.613 -4.492 3.735 1.00 0.00 H ATOM 11 H3 ASP A 1 8.166 -3.442 4.983 1.00 0.00 H ATOM 12 HA ASP A 1 10.456 -2.866 5.381 1.00 0.00 H ATOM 13 HB2 ASP A 1 11.061 -5.266 4.319 1.00 0.00 H HETATM 14 N SEP A 2 9.212 -2.391 2.290 1.00 0.00 N HETATM 15 CA SEP A 2 8.949 -1.406 1.203 1.00 0.00 C HETATM 16 CB SEP A 2 8.900 -2.130 -0.166 1.00 0.00 C HETATM 17 OG SEP A 2 8.726 -1.182 -1.222 1.00 0.00 O HETATM 18 C SEP A 2 7.655 -0.572 1.447 1.00 0.00 C HETATM 19 O SEP A 2 6.547 -1.126 1.646 1.00 0.00 O HETATM 20 P SEP A 2 9.998 -0.482 -1.917 1.00 0.00 P HETATM 21 O1P SEP A 2 9.728 0.594 -3.084 1.00 0.00 O HETATM 22 O2P SEP A 2 9.707 -1.541 -3.094 1.00 0.00 O HETATM 23 O3P SEP A 2 11.351 -1.059 -1.744 1.00 0.00 O HETATM 24 H SEP A 2 8.818 -3.282 2.206 1.00 0.00 H HETATM 25 HA SEP A 2 9.784 -0.722 1.194 1.00 0.00 H HETATM 26 HB2 SEP A 2 8.073 -2.824 -0.170 1.00 0.00 H HETATM 27 HB3 SEP A 2 9.823 -2.673 -0.315 1.00 0.00 H HETATM 28 HOP2 SEP A 2 10.316 -2.329 -2.993 1.00 0.00 H HETATM 29 N SEP A 3 7.838 0.785 1.391 1.00 0.00 N HETATM 30 CA SEP A 3 6.779 1.811 1.661 1.00 0.00 C HETATM 31 CB SEP A 3 7.448 3.133 2.092 1.00 0.00 C HETATM 32 OG SEP A 3 8.434 3.514 1.127 1.00 0.00 O HETATM 33 C SEP A 3 5.809 2.061 0.468 1.00 0.00 C HETATM 34 O SEP A 3 4.622 2.363 0.685 1.00 0.00 O HETATM 35 P SEP A 3 9.970 3.691 1.570 1.00 0.00 P HETATM 36 O1P SEP A 3 10.539 2.205 1.818 1.00 0.00 O HETATM 37 O2P SEP A 3 10.760 4.279 0.298 1.00 0.00 O HETATM 38 O3P SEP A 3 10.096 4.528 2.785 1.00 0.00 O HETATM 39 H SEP A 3 8.734 1.110 1.158 1.00 0.00 H HETATM 40 HA SEP A 3 6.195 1.445 2.483 1.00 0.00 H HETATM 41 HB2 SEP A 3 7.917 3.001 3.053 1.00 0.00 H HETATM 42 HB3 SEP A 3 6.696 3.901 2.155 1.00 0.00 H HETATM 43 HOP2 SEP A 3 10.300 5.102 -0.031 1.00 0.00 H ATOM 44 N GLU A 4 6.336 1.879 -0.780 1.00 0.00 N ATOM 45 CA GLU A 4 5.566 2.002 -2.072 1.00 0.00 C ATOM 46 C GLU A 4 4.670 0.759 -2.373 1.00 0.00 C ATOM 47 O GLU A 4 3.580 0.903 -2.957 1.00 0.00 O ATOM 48 CB GLU A 4 6.527 2.283 -3.277 1.00 0.00 C ATOM 49 CG GLU A 4 7.075 3.730 -3.392 1.00 0.00 C ATOM 50 CD GLU A 4 6.129 4.727 -4.080 1.00 0.00 C ATOM 51 OE1 GLU A 4 6.208 4.870 -5.321 1.00 0.00 O ATOM 52 OE2 GLU A 4 5.324 5.372 -3.369 1.00 0.00 O ATOM 53 H GLU A 4 7.285 1.658 -0.825 1.00 0.00 H ATOM 54 HA GLU A 4 4.915 2.843 -1.958 1.00 0.00 H ATOM 55 HB2 GLU A 4 7.372 1.618 -3.198 1.00 0.00 H ATOM 56 HG2 GLU A 4 7.280 4.095 -2.398 1.00 0.00 H ATOM 57 N GLU A 5 5.129 -0.441 -1.890 1.00 0.00 N ATOM 58 CA GLU A 5 4.380 -1.740 -1.958 1.00 0.00 C ATOM 59 C GLU A 5 3.285 -1.854 -0.852 1.00 0.00 C ATOM 60 O GLU A 5 2.253 -2.520 -1.062 1.00 0.00 O ATOM 61 CB GLU A 5 5.362 -2.957 -1.905 1.00 0.00 C ATOM 62 CG GLU A 5 6.096 -3.290 -3.228 1.00 0.00 C ATOM 63 CD GLU A 5 5.323 -4.220 -4.176 1.00 0.00 C ATOM 64 OE1 GLU A 5 5.493 -5.456 -4.071 1.00 0.00 O ATOM 65 OE2 GLU A 5 4.563 -3.707 -5.031 1.00 0.00 O ATOM 66 H GLU A 5 6.007 -0.439 -1.464 1.00 0.00 H ATOM 67 HA GLU A 5 3.877 -1.751 -2.904 1.00 0.00 H ATOM 68 HB2 GLU A 5 6.113 -2.753 -1.156 1.00 0.00 H ATOM 69 HG2 GLU A 5 6.287 -2.365 -3.751 1.00 0.00 H ATOM 70 N LYS A 6 3.524 -1.144 0.306 1.00 0.00 N ATOM 71 CA LYS A 6 2.512 -0.891 1.385 1.00 0.00 C ATOM 72 C LYS A 6 1.410 0.142 0.971 1.00 0.00 C ATOM 73 O LYS A 6 0.251 -0.005 1.385 1.00 0.00 O ATOM 74 CB LYS A 6 3.200 -0.447 2.709 1.00 0.00 C ATOM 75 CG LYS A 6 3.648 -1.598 3.615 1.00 0.00 C ATOM 76 CD LYS A 6 4.275 -1.090 4.920 1.00 0.00 C ATOM 77 CE LYS A 6 4.647 -2.227 5.881 1.00 0.00 C ATOM 78 NZ LYS A 6 5.899 -2.950 5.488 1.00 0.00 N ATOM 79 H LYS A 6 4.429 -0.801 0.440 1.00 0.00 H ATOM 80 HA LYS A 6 2.026 -1.824 1.557 1.00 0.00 H ATOM 81 HB2 LYS A 6 4.071 0.142 2.465 1.00 0.00 H ATOM 82 HG2 LYS A 6 2.790 -2.207 3.855 1.00 0.00 H ATOM 83 HD2 LYS A 6 5.169 -0.534 4.683 1.00 0.00 H ATOM 84 HE2 LYS A 6 4.786 -1.813 6.868 1.00 0.00 H ATOM 85 HZ1 LYS A 6 5.791 -3.359 4.539 1.00 0.00 H ATOM 86 HZ2 LYS A 6 6.097 -3.716 6.163 1.00 0.00 H ATOM 87 HZ3 LYS A 6 6.706 -2.293 5.480 1.00 0.00 H ATOM 88 N PHE A 7 1.794 1.134 0.098 1.00 0.00 N ATOM 89 CA PHE A 7 0.885 2.185 -0.478 1.00 0.00 C ATOM 90 C PHE A 7 0.013 1.659 -1.678 1.00 0.00 C ATOM 91 O PHE A 7 -1.099 2.174 -1.909 1.00 0.00 O ATOM 92 CB PHE A 7 1.746 3.432 -0.900 1.00 0.00 C ATOM 93 CG PHE A 7 1.047 4.807 -0.907 1.00 0.00 C ATOM 94 CD1 PHE A 7 0.912 5.557 0.266 1.00 0.00 C ATOM 95 CD2 PHE A 7 0.547 5.353 -2.092 1.00 0.00 C ATOM 96 CE1 PHE A 7 0.299 6.799 0.251 1.00 0.00 C ATOM 97 CE2 PHE A 7 -0.067 6.596 -2.104 1.00 0.00 C ATOM 98 CZ PHE A 7 -0.191 7.316 -0.933 1.00 0.00 C ATOM 99 H PHE A 7 2.737 1.158 -0.156 1.00 0.00 H ATOM 100 HA PHE A 7 0.216 2.483 0.305 1.00 0.00 H ATOM 101 HB2 PHE A 7 2.585 3.506 -0.230 1.00 0.00 H ATOM 102 HD1 PHE A 7 1.290 5.157 1.194 1.00 0.00 H ATOM 103 HD2 PHE A 7 0.643 4.794 -3.011 1.00 0.00 H ATOM 104 HE1 PHE A 7 0.204 7.365 1.166 1.00 0.00 H ATOM 105 HE2 PHE A 7 -0.449 6.999 -3.029 1.00 0.00 H ATOM 106 HZ PHE A 7 -0.668 8.286 -0.941 1.00 0.00 H ATOM 107 N LEU A 8 0.525 0.605 -2.384 1.00 0.00 N ATOM 108 CA LEU A 8 -0.169 -0.082 -3.514 1.00 0.00 C ATOM 109 C LEU A 8 -1.084 -1.248 -3.029 1.00 0.00 C ATOM 110 O LEU A 8 -2.033 -1.639 -3.738 1.00 0.00 O ATOM 111 CB LEU A 8 0.850 -0.570 -4.605 1.00 0.00 C ATOM 112 CG LEU A 8 1.382 0.488 -5.615 1.00 0.00 C ATOM 113 CD1 LEU A 8 2.720 0.042 -6.181 1.00 0.00 C ATOM 114 CD2 LEU A 8 0.406 0.722 -6.775 1.00 0.00 C ATOM 115 H LEU A 8 1.389 0.270 -2.112 1.00 0.00 H ATOM 116 HA LEU A 8 -0.801 0.657 -3.954 1.00 0.00 H ATOM 117 HB2 LEU A 8 1.704 -0.990 -4.094 1.00 0.00 H ATOM 118 HG LEU A 8 1.530 1.426 -5.102 1.00 0.00 H ATOM 119 HD11 LEU A 8 3.422 -0.099 -5.376 1.00 0.00 H ATOM 120 HD12 LEU A 8 2.592 -0.888 -6.717 1.00 0.00 H ATOM 121 HD13 LEU A 8 3.094 0.800 -6.857 1.00 0.00 H ATOM 122 HD21 LEU A 8 -0.536 1.078 -6.385 1.00 0.00 H ATOM 123 HD22 LEU A 8 0.817 1.457 -7.449 1.00 0.00 H ATOM 124 HD23 LEU A 8 0.250 -0.206 -7.307 1.00 0.00 H ATOM 125 N ARG A 9 -0.789 -1.764 -1.790 1.00 0.00 N ATOM 126 CA ARG A 9 -1.699 -2.656 -1.008 1.00 0.00 C ATOM 127 C ARG A 9 -2.767 -1.828 -0.200 1.00 0.00 C ATOM 128 O ARG A 9 -3.844 -2.362 0.122 1.00 0.00 O ATOM 129 CB ARG A 9 -0.845 -3.630 -0.100 1.00 0.00 C ATOM 130 CG ARG A 9 -1.573 -4.842 0.587 1.00 0.00 C ATOM 131 CD ARG A 9 -2.125 -5.926 -0.374 1.00 0.00 C ATOM 132 NE ARG A 9 -1.074 -6.744 -1.040 1.00 0.00 N ATOM 133 CZ ARG A 9 -1.244 -7.978 -1.600 1.00 0.00 C ATOM 134 NH1 ARG A 9 -2.416 -8.637 -1.580 1.00 0.00 N ATOM 135 NH2 ARG A 9 -0.205 -8.557 -2.185 1.00 0.00 N ATOM 136 H ARG A 9 0.085 -1.536 -1.403 1.00 0.00 H ATOM 137 HA ARG A 9 -2.234 -3.244 -1.726 1.00 0.00 H ATOM 138 HB2 ARG A 9 -0.057 -4.043 -0.710 1.00 0.00 H ATOM 139 HG2 ARG A 9 -0.876 -5.317 1.258 1.00 0.00 H ATOM 140 HD2 ARG A 9 -2.760 -6.589 0.192 1.00 0.00 H ATOM 141 HE ARG A 9 -0.182 -6.343 -1.090 1.00 0.00 H ATOM 142 HH11 ARG A 9 -3.216 -8.220 -1.143 1.00 0.00 H ATOM 143 HH12 ARG A 9 -2.492 -9.539 -2.002 1.00 0.00 H ATOM 144 HH21 ARG A 9 0.677 -8.088 -2.216 1.00 0.00 H ATOM 145 HH22 ARG A 9 -0.304 -9.463 -2.593 1.00 0.00 H ATOM 146 N ARG A 10 -2.467 -0.508 0.050 1.00 0.00 N ATOM 147 CA ARG A 10 -3.444 0.487 0.616 1.00 0.00 C ATOM 148 C ARG A 10 -4.473 0.982 -0.451 1.00 0.00 C ATOM 149 O ARG A 10 -5.627 1.300 -0.105 1.00 0.00 O ATOM 150 CB ARG A 10 -2.724 1.700 1.274 1.00 0.00 C ATOM 151 CG ARG A 10 -2.335 1.502 2.740 1.00 0.00 C ATOM 152 CD ARG A 10 -1.678 2.753 3.321 1.00 0.00 C ATOM 153 NE ARG A 10 -1.131 2.525 4.681 1.00 0.00 N ATOM 154 CZ ARG A 10 -0.764 3.480 5.590 1.00 0.00 C ATOM 155 NH1 ARG A 10 -0.862 4.802 5.352 1.00 0.00 N ATOM 156 NH2 ARG A 10 -0.285 3.088 6.762 1.00 0.00 N ATOM 157 H ARG A 10 -1.558 -0.199 -0.165 1.00 0.00 H ATOM 158 HA ARG A 10 -3.989 -0.034 1.370 1.00 0.00 H ATOM 159 HB2 ARG A 10 -1.824 1.908 0.716 1.00 0.00 H ATOM 160 HG2 ARG A 10 -3.225 1.278 3.310 1.00 0.00 H ATOM 161 HD2 ARG A 10 -0.874 3.058 2.667 1.00 0.00 H ATOM 162 HE ARG A 10 -1.018 1.590 4.947 1.00 0.00 H ATOM 163 HH11 ARG A 10 -1.217 5.128 4.475 1.00 0.00 H ATOM 164 HH12 ARG A 10 -0.582 5.458 6.054 1.00 0.00 H ATOM 165 HH21 ARG A 10 -0.198 2.113 6.963 1.00 0.00 H ATOM 166 HH22 ARG A 10 -0.017 3.766 7.443 1.00 0.00 H ATOM 167 N ILE A 11 -4.023 1.001 -1.748 1.00 0.00 N ATOM 168 CA ILE A 11 -4.868 1.309 -2.939 1.00 0.00 C ATOM 169 C ILE A 11 -5.516 0.018 -3.585 1.00 0.00 C ATOM 170 O ILE A 11 -6.450 0.128 -4.402 1.00 0.00 O ATOM 171 CB ILE A 11 -4.039 2.312 -3.912 1.00 0.00 C ATOM 172 CG1 ILE A 11 -4.691 3.728 -3.927 1.00 0.00 C ATOM 173 CG2 ILE A 11 -3.775 1.844 -5.370 1.00 0.00 C ATOM 174 CD1 ILE A 11 -4.477 4.561 -2.655 1.00 0.00 C ATOM 175 H ILE A 11 -3.072 0.805 -1.892 1.00 0.00 H ATOM 176 HA ILE A 11 -5.693 1.882 -2.549 1.00 0.00 H ATOM 177 HB ILE A 11 -3.064 2.421 -3.460 1.00 0.00 H ATOM 178 HG12 ILE A 11 -4.281 4.288 -4.751 1.00 0.00 H ATOM 179 HG21 ILE A 11 -4.714 1.723 -5.887 1.00 0.00 H ATOM 180 HG22 ILE A 11 -3.175 2.580 -5.884 1.00 0.00 H ATOM 181 HG23 ILE A 11 -3.250 0.897 -5.352 1.00 0.00 H ATOM 182 HD11 ILE A 11 -5.033 5.482 -2.725 1.00 0.00 H ATOM 183 HD12 ILE A 11 -4.825 3.988 -1.799 1.00 0.00 H ATOM 184 HD13 ILE A 11 -3.425 4.775 -2.536 1.00 0.00 H ATOM 185 N GLY A 12 -4.996 -1.175 -3.171 1.00 0.00 N ATOM 186 CA GLY A 12 -5.638 -2.485 -3.422 1.00 0.00 C ATOM 187 C GLY A 12 -6.678 -2.890 -2.344 1.00 0.00 C ATOM 188 O GLY A 12 -7.482 -3.806 -2.591 1.00 0.00 O ATOM 189 H GLY A 12 -4.139 -1.156 -2.692 1.00 0.00 H ATOM 190 HA2 GLY A 12 -6.134 -2.445 -4.380 1.00 0.00 H ATOM 191 HA3 GLY A 12 -4.867 -3.240 -3.465 1.00 0.00 H ATOM 192 N ARG A 13 -6.639 -2.194 -1.144 1.00 0.00 N ATOM 193 CA ARG A 13 -7.632 -2.366 -0.032 1.00 0.00 C ATOM 194 C ARG A 13 -8.829 -1.350 -0.153 1.00 0.00 C ATOM 195 O ARG A 13 -9.991 -1.754 0.013 1.00 0.00 O ATOM 196 CB ARG A 13 -6.884 -2.295 1.349 1.00 0.00 C ATOM 197 CG ARG A 13 -7.617 -2.927 2.557 1.00 0.00 C ATOM 198 CD ARG A 13 -6.679 -3.306 3.721 1.00 0.00 C ATOM 199 NE ARG A 13 -6.010 -2.149 4.396 1.00 0.00 N ATOM 200 CZ ARG A 13 -5.443 -2.149 5.641 1.00 0.00 C ATOM 201 NH1 ARG A 13 -5.550 -3.184 6.492 1.00 0.00 N ATOM 202 NH2 ARG A 13 -4.780 -1.072 6.042 1.00 0.00 N ATOM 203 H ARG A 13 -5.900 -1.542 -1.009 1.00 0.00 H ATOM 204 HA ARG A 13 -8.044 -3.349 -0.142 1.00 0.00 H ATOM 205 HB2 ARG A 13 -5.935 -2.800 1.246 1.00 0.00 H ATOM 206 HG2 ARG A 13 -8.346 -2.220 2.922 1.00 0.00 H ATOM 207 HD2 ARG A 13 -7.261 -3.836 4.460 1.00 0.00 H ATOM 208 HE ARG A 13 -5.938 -1.328 3.870 1.00 0.00 H ATOM 209 HH11 ARG A 13 -6.065 -3.999 6.225 1.00 0.00 H ATOM 210 HH12 ARG A 13 -5.116 -3.139 7.392 1.00 0.00 H ATOM 211 HH21 ARG A 13 -4.703 -0.278 5.438 1.00 0.00 H ATOM 212 HH22 ARG A 13 -4.356 -1.055 6.949 1.00 0.00 H ATOM 213 N PHE A 14 -8.508 -0.050 -0.442 1.00 0.00 N ATOM 214 CA PHE A 14 -9.511 1.041 -0.678 1.00 0.00 C ATOM 215 C PHE A 14 -9.868 1.208 -2.183 1.00 0.00 C ATOM 216 O PHE A 14 -8.970 1.235 -3.052 1.00 0.00 O ATOM 217 CB PHE A 14 -9.020 2.404 -0.072 1.00 0.00 C ATOM 218 CG PHE A 14 -9.333 2.643 1.414 1.00 0.00 C ATOM 219 CD1 PHE A 14 -8.467 2.197 2.417 1.00 0.00 C ATOM 220 CD2 PHE A 14 -10.485 3.332 1.804 1.00 0.00 C ATOM 221 CE1 PHE A 14 -8.749 2.424 3.753 1.00 0.00 C ATOM 222 CE2 PHE A 14 -10.763 3.560 3.142 1.00 0.00 C ATOM 223 CZ PHE A 14 -9.895 3.105 4.115 1.00 0.00 C ATOM 224 H PHE A 14 -7.561 0.171 -0.503 1.00 0.00 H ATOM 225 HA PHE A 14 -10.413 0.748 -0.157 1.00 0.00 H ATOM 226 HB2 PHE A 14 -7.950 2.466 -0.185 1.00 0.00 H ATOM 227 HD1 PHE A 14 -7.569 1.664 2.141 1.00 0.00 H ATOM 228 HD2 PHE A 14 -11.171 3.686 1.048 1.00 0.00 H ATOM 229 HE1 PHE A 14 -8.071 2.069 4.515 1.00 0.00 H ATOM 230 HE2 PHE A 14 -11.659 4.095 3.426 1.00 0.00 H ATOM 231 HZ PHE A 14 -10.111 3.284 5.158 1.00 0.00 H ATOM 232 N GLY A 15 -11.207 1.301 -2.460 1.00 0.00 N ATOM 233 CA GLY A 15 -11.755 1.460 -3.826 1.00 0.00 C ATOM 234 C GLY A 15 -11.967 2.916 -4.246 1.00 0.00 C ATOM 235 O GLY A 15 -11.017 3.525 -4.784 1.00 0.00 O ATOM 236 OXT GLY A 15 -13.086 3.436 -4.046 1.00 0.00 O ATOM 237 H GLY A 15 -11.833 1.262 -1.706 1.00 0.00 H ATOM 238 HA2 GLY A 15 -11.077 0.998 -4.525 1.00 0.00 H ATOM 239 HA3 GLY A 15 -12.703 0.945 -3.877 1.00 0.00 H TER 240 GLY A 15 ENDMDL CONECT 3 14 CONECT 14 3 15 24 CONECT 15 14 16 18 25 CONECT 16 15 17 26 27 CONECT 17 16 20 CONECT 18 15 19 29 CONECT 19 18 CONECT 20 17 21 22 23 CONECT 21 20 CONECT 22 20 28 CONECT 23 20 CONECT 24 14 CONECT 25 15 CONECT 26 16 CONECT 27 16 CONECT 28 22 CONECT 29 18 30 39 CONECT 30 29 31 33 40 CONECT 31 30 32 41 42 CONECT 32 31 35 CONECT 33 30 34 44 CONECT 34 33 CONECT 35 32 36 37 38 CONECT 36 35 CONECT 37 35 43 CONECT 38 35 CONECT 39 29 CONECT 40 30 CONECT 41 31 CONECT 42 31 CONECT 43 37 CONECT 44 33 MASTER 87 0 2 1 0 0 0 6 135 1 32 2 END