USER MOD reduce.3.24.130724 H: found=0, std=0, add=88, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 89 hydrogens (0 hets) HEADER ANTIVIRAL PROTEIN 04-APR-01 1ID7 TITLE SOLUTION STRUCTURE OF SYR6 COMPND MOL_ID: 1; COMPND 2 MOLECULE: SYR6; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED KEYWDS SYR6, ANTIVIRAL PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR A.SATO,K.KAWAGUCHI,K.KIMURA,R.TANIMURA,S.SONE REVDAT 3 24-FEB-09 1ID7 1 VERSN REVDAT 2 25-DEC-02 1ID7 1 REMARK REVDAT 1 10-APR-02 1ID7 0 JRNL AUTH A.SATO,K.KAWAGUCHI,K.KIMURA,R.TANIMURA,S.SONE JRNL TITL A PEPTIDE MIMETIC OF IFN, THE FIRST PROOF OF A JRNL TITL 2 SMALL PEPTIDIC AGONIST FOR HETERODIMERIC CYTOKINE JRNL TITL 3 RECEPTOR JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : EMBOSS 5.0 REMARK 3 AUTHORS : MORIKAWA, S. ET. AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE AVERAGE STRUCTURE OF THE 11 REMARK 3 STRUCTURES THAT ARE BASED ON 66 NOE-DERIVED DISTANCE REMARK 3 CONSTRAINTS. REMARK 4 REMARK 4 1ID7 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 11-APR-01. REMARK 100 THE RCSB ID CODE IS RCSB013177. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2.0MM SYR6; DEUTERATED REMARK 210 DIMETHYL SULFOXIDE 100% REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY, TOCSY, 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : EMBOSS 5.0 REMARK 210 METHOD USED : 4D SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 750 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : AVERAGE STRUCTURE OF THE 11 REMARK 210 STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR TECHNIQUES. 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 SER A 1 REMARK 465 LEU A 14 REMARK 465 TYR A 15 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLN A 3 -38.54 -136.05 REMARK 500 ALA A 4 -177.09 58.58 REMARK 500 ARG A 5 37.81 34.15 REMARK 500 TRP A 6 -150.46 -145.62 REMARK 500 GLU A 7 -35.46 -36.87 REMARK 500 ALA A 8 -82.21 -156.57 REMARK 500 ALA A 9 145.15 164.58 REMARK 500 PHE A 10 -88.31 -124.56 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 ALA A 4 -13.94 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1ID6 RELATED DB: PDB REMARK 900 1ID6 CONTAINS THE ORIGNINAL 11 STRUCTURES WHICH WERE USED REMARK 900 FOR CALCULATION OF THIS AVERAGE STRUCTURE. DBREF 1ID7 A 1 15 GB 15076606 BAB62415 1 15 SEQRES 1 A 15 SER VAL GLN ALA ARG TRP GLU ALA ALA PHE ASP LEU ASP SEQRES 2 A 15 LEU TYR 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 GLN : amide:sc= -5.64! C(o=-5.6!,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 4.951 1.896 1.075 1.00 0.00 N ATOM 2 CA VAL A 2 4.425 1.114 2.179 1.00 0.00 C ATOM 3 C VAL A 2 4.279 -0.342 1.752 1.00 0.00 C ATOM 4 O VAL A 2 5.288 -1.036 1.619 1.00 0.00 O ATOM 5 CB VAL A 2 3.083 1.698 2.616 1.00 0.00 C ATOM 6 CG1 VAL A 2 2.442 0.770 3.643 1.00 0.00 C ATOM 7 CG2 VAL A 2 3.300 3.076 3.232 1.00 0.00 C ATOM 0 HA VAL A 2 5.111 1.152 3.025 1.00 0.00 H new ATOM 0 HB VAL A 2 2.426 1.793 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.484 1.183 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.285 -0.213 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.098 0.676 4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.341 3.491 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.955 2.988 4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.759 3.736 2.495 1.00 0.00 H new ATOM 17 N GLN A 3 3.070 -0.727 1.335 1.00 0.00 N ATOM 18 CA GLN A 3 2.879 -2.000 0.654 1.00 0.00 C ATOM 19 C GLN A 3 1.959 -1.784 -0.544 1.00 0.00 C ATOM 20 O GLN A 3 2.326 -2.126 -1.667 1.00 0.00 O ATOM 21 CB GLN A 3 2.283 -3.011 1.628 1.00 0.00 C ATOM 22 CG GLN A 3 2.783 -4.412 1.278 1.00 0.00 C ATOM 23 CD GLN A 3 2.365 -4.798 -0.136 1.00 0.00 C ATOM 24 OE1 GLN A 3 3.049 -4.450 -1.096 1.00 0.00 O ATOM 25 NE2 GLN A 3 1.364 -5.675 -0.241 1.00 0.00 N ATOM 0 H GLN A 3 2.219 -0.178 1.458 1.00 0.00 H new ATOM 0 HA GLN A 3 3.833 -2.390 0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.565 -2.757 2.650 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.194 -2.979 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 3 3.869 -4.447 1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.384 -5.134 1.990 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.824 -5.934 0.585 1.00 0.00 H new ATOM 0 HE22 GLN A 3 1.139 -6.087 -1.147 1.00 0.00 H new ATOM 34 N ALA A 4 0.945 -0.923 -0.349 1.00 0.00 N ATOM 35 CA ALA A 4 -0.047 -0.724 -1.398 1.00 0.00 C ATOM 36 C ALA A 4 -0.709 -2.064 -1.721 1.00 0.00 C ATOM 37 O ALA A 4 -0.092 -3.097 -1.445 1.00 0.00 O ATOM 38 CB ALA A 4 0.627 -0.146 -2.637 1.00 0.00 C ATOM 0 H ALA A 4 0.800 -0.374 0.498 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.810 -0.023 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.117 0.002 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.087 0.810 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.393 -0.836 -2.990 1.00 0.00 H new ATOM 44 N ARG A 5 -1.612 -2.039 -2.725 1.00 0.00 N ATOM 45 CA ARG A 5 -2.348 -3.257 -3.040 1.00 0.00 C ATOM 46 C ARG A 5 -2.587 -4.019 -1.734 1.00 0.00 C ATOM 47 O ARG A 5 -2.359 -5.225 -1.677 1.00 0.00 O ATOM 48 CB ARG A 5 -1.606 -4.123 -4.047 1.00 0.00 C ATOM 49 CG ARG A 5 -0.096 -3.962 -3.959 1.00 0.00 C ATOM 50 CD ARG A 5 0.489 -4.985 -2.986 1.00 0.00 C ATOM 51 NE ARG A 5 0.779 -6.250 -3.666 1.00 0.00 N ATOM 52 CZ ARG A 5 1.833 -6.414 -4.479 1.00 0.00 C ATOM 53 NH1 ARG A 5 2.675 -5.394 -4.699 1.00 0.00 N ATOM 54 NH2 ARG A 5 2.055 -7.601 -5.059 1.00 0.00 N ATOM 0 H ARG A 5 -1.834 -1.226 -3.300 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.299 -2.994 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.866 -5.169 -3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.937 -3.867 -5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.349 -4.092 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.151 -2.953 -3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.402 -4.589 -2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.213 -5.159 -2.170 1.00 0.00 H new ATOM 0 HE ARG A 5 0.152 -7.040 -3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.514 -4.493 -4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.477 -5.519 -5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.422 -8.381 -4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.857 -7.725 -5.677 1.00 0.00 H new ATOM 68 N TRP A 6 -2.859 -3.268 -0.658 1.00 0.00 N ATOM 69 CA TRP A 6 -2.819 -3.839 0.680 1.00 0.00 C ATOM 70 C TRP A 6 -3.882 -3.198 1.563 1.00 0.00 C ATOM 71 O TRP A 6 -5.020 -3.043 1.115 1.00 0.00 O ATOM 72 CB TRP A 6 -1.421 -3.615 1.266 1.00 0.00 C ATOM 73 CG TRP A 6 -1.177 -2.229 1.788 1.00 0.00 C ATOM 74 CD1 TRP A 6 -1.737 -1.084 1.367 1.00 0.00 C ATOM 75 CD2 TRP A 6 -0.374 -1.868 2.961 1.00 0.00 C ATOM 76 NE1 TRP A 6 -1.561 -0.107 2.336 1.00 0.00 N ATOM 77 CE2 TRP A 6 -0.696 -0.538 3.327 1.00 0.00 C ATOM 78 CE3 TRP A 6 0.540 -2.554 3.774 1.00 0.00 C ATOM 79 CZ2 TRP A 6 -0.131 0.078 4.451 1.00 0.00 C ATOM 80 CZ3 TRP A 6 1.107 -1.954 4.902 1.00 0.00 C ATOM 81 CH2 TRP A 6 0.789 -0.631 5.237 1.00 0.00 C ATOM 0 H TRP A 6 -3.105 -2.279 -0.694 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.027 -4.908 0.632 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.262 -4.327 2.076 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -0.680 -3.836 0.498 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.244 -0.945 0.424 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.010 0.809 2.320 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.812 -3.569 3.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.402 1.091 4.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.794 -2.513 5.519 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.249 -0.161 6.094 1.00 0.00 H new ATOM 92 N GLU A 7 -3.611 -3.132 2.870 1.00 0.00 N ATOM 93 CA GLU A 7 -4.618 -2.737 3.841 1.00 0.00 C ATOM 94 C GLU A 7 -5.504 -1.647 3.246 1.00 0.00 C ATOM 95 O GLU A 7 -6.728 -1.742 3.325 1.00 0.00 O ATOM 96 CB GLU A 7 -3.928 -2.242 5.110 1.00 0.00 C ATOM 97 CG GLU A 7 -4.178 -3.233 6.245 1.00 0.00 C ATOM 98 CD GLU A 7 -4.246 -2.514 7.586 1.00 0.00 C ATOM 99 OE1 GLU A 7 -3.177 -2.410 8.226 1.00 0.00 O ATOM 100 OE2 GLU A 7 -5.380 -2.177 7.990 1.00 0.00 O ATOM 0 H GLU A 7 -2.700 -3.349 3.274 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.246 -3.591 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.857 -2.134 4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.307 -1.257 5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.110 -3.769 6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.382 -3.977 6.266 1.00 0.00 H new ATOM 107 N ALA A 8 -4.899 -0.772 2.436 1.00 0.00 N ATOM 108 CA ALA A 8 -5.652 0.190 1.652 1.00 0.00 C ATOM 109 C ALA A 8 -4.817 0.624 0.447 1.00 0.00 C ATOM 110 O ALA A 8 -4.778 -0.108 -0.545 1.00 0.00 O ATOM 111 CB ALA A 8 -6.006 1.392 2.523 1.00 0.00 C ATOM 0 H ALA A 8 -3.888 -0.717 2.312 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.576 -0.264 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.571 2.114 1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.609 1.063 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.091 1.859 2.888 1.00 0.00 H new ATOM 117 N ALA A 9 -3.910 1.581 0.676 1.00 0.00 N ATOM 118 CA ALA A 9 -2.850 1.864 -0.279 1.00 0.00 C ATOM 119 C ALA A 9 -2.217 3.213 0.041 1.00 0.00 C ATOM 120 O ALA A 9 -2.893 4.111 0.540 1.00 0.00 O ATOM 121 CB ALA A 9 -3.417 1.858 -1.696 1.00 0.00 C ATOM 0 H ALA A 9 -3.894 2.166 1.512 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.082 1.094 -0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.619 2.070 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.845 0.879 -1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.192 2.620 -1.781 1.00 0.00 H new ATOM 127 N PHE A 10 -0.902 3.323 -0.183 1.00 0.00 N ATOM 128 CA PHE A 10 -0.150 4.464 0.321 1.00 0.00 C ATOM 129 C PHE A 10 0.580 5.156 -0.827 1.00 0.00 C ATOM 130 O PHE A 10 0.203 6.271 -1.198 1.00 0.00 O ATOM 131 CB PHE A 10 0.852 3.967 1.369 1.00 0.00 C ATOM 132 CG PHE A 10 0.428 4.266 2.790 1.00 0.00 C ATOM 133 CD1 PHE A 10 0.210 5.590 3.189 1.00 0.00 C ATOM 134 CD2 PHE A 10 0.255 3.221 3.704 1.00 0.00 C ATOM 135 CE1 PHE A 10 -0.183 5.868 4.504 1.00 0.00 C ATOM 136 CE2 PHE A 10 -0.138 3.498 5.018 1.00 0.00 C ATOM 137 CZ PHE A 10 -0.356 4.822 5.419 1.00 0.00 C ATOM 0 H PHE A 10 -0.348 2.643 -0.703 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.828 5.185 0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.983 2.891 1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.822 4.428 1.182 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.345 6.396 2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.425 2.200 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.353 6.889 4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.273 2.691 5.723 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.657 5.036 6.434 1.00 0.00 H new ATOM 147 N ASP A 11 1.801 4.688 -1.109 1.00 0.00 N ATOM 148 CA ASP A 11 2.699 5.390 -2.010 1.00 0.00 C ATOM 149 C ASP A 11 2.827 4.625 -3.319 1.00 0.00 C ATOM 150 O ASP A 11 3.459 5.101 -4.259 1.00 0.00 O ATOM 151 CB ASP A 11 4.065 5.543 -1.337 1.00 0.00 C ATOM 152 CG ASP A 11 4.854 6.681 -1.971 1.00 0.00 C ATOM 153 OD1 ASP A 11 5.476 6.421 -3.024 1.00 0.00 O ATOM 154 OD2 ASP A 11 4.761 7.804 -1.430 1.00 0.00 O ATOM 0 H ASP A 11 2.183 3.825 -0.722 1.00 0.00 H new ATOM 0 HA ASP A 11 2.299 6.379 -2.233 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.932 5.735 -0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.625 4.612 -1.425 1.00 0.00 H new ATOM 159 N LEU A 12 2.228 3.433 -3.377 1.00 0.00 N ATOM 160 CA LEU A 12 2.193 2.655 -4.603 1.00 0.00 C ATOM 161 C LEU A 12 0.747 2.500 -5.064 1.00 0.00 C ATOM 162 O LEU A 12 0.426 2.826 -6.207 1.00 0.00 O ATOM 163 CB LEU A 12 2.830 1.289 -4.353 1.00 0.00 C ATOM 164 CG LEU A 12 3.519 1.280 -2.993 1.00 0.00 C ATOM 165 CD1 LEU A 12 3.846 -0.158 -2.597 1.00 0.00 C ATOM 166 CD2 LEU A 12 4.812 2.089 -3.076 1.00 0.00 C ATOM 0 H LEU A 12 1.762 2.991 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 12 2.755 3.165 -5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.068 0.510 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.552 1.066 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 12 2.858 1.721 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.339 -0.165 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.925 -0.738 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.508 -0.599 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.307 2.084 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.472 1.645 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.581 3.116 -3.361 1.00 0.00 H new ATOM 178 N ASP A 13 -0.152 2.248 -4.110 1.00 0.00 N ATOM 179 CA ASP A 13 -1.575 2.187 -4.391 1.00 0.00 C ATOM 180 C ASP A 13 -1.801 1.568 -5.765 1.00 0.00 C ATOM 181 O ASP A 13 -2.512 2.141 -6.589 1.00 0.00 O ATOM 182 CB ASP A 13 -2.162 3.597 -4.323 1.00 0.00 C ATOM 183 CG ASP A 13 -3.648 3.581 -4.658 1.00 0.00 C ATOM 184 OD1 ASP A 13 -4.250 2.496 -4.504 1.00 0.00 O ATOM 185 OD2 ASP A 13 -4.171 4.673 -4.966 1.00 0.00 O ATOM 0 H ASP A 13 0.089 2.083 -3.133 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.075 1.564 -3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.014 4.010 -3.325 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.635 4.249 -5.019 1.00 0.00 H new TER 190 ASP A 13 END