USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 294 hydrogens (0 hets) HEADER CELL CYCLE 23-FEB-00 1EI0 TITLE NMR STRUCTURE OF THE ALPHA-HELICAL HAIRPIN OF P8MTCP1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: P8MTCP1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: ALPHA-HELICAL HAIRPIN MOTIF OF P8MTCP1; COMPND 5 SYNONYM: MATURE T-CELL PROLIFERATION-1 TYPE A; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE SEQUENCE IS FOUND NATURALLY IN HOMO SOURCE 4 SAPIENS (HUMANS). KEYWDS HELIX-TURN-HELIX, DISULFIDE BRIDGES, CELL CYCLE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR P.BARTHE,S.ROCHETTE,C.VITA,C.ROUMESTAND REVDAT 2 24-FEB-09 1EI0 1 VERSN REVDAT 1 23-FEB-01 1EI0 0 JRNL AUTH P.BARTHE,S.ROCHETTE,C.VITA,C.ROUMESTAND JRNL TITL SYNTHESIS AND NMR SOLUTION STRUCTURE OF AN JRNL TITL 2 ALPHA-HELICAL HAIRPIN STAPLED WITH TWO DISULFIDE JRNL TITL 3 BRIDGES. JRNL REF PROTEIN SCI. V. 9 942 2000 JRNL REFN ISSN 0961-8368 JRNL PMID 10850804 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 4.1 REMARK 3 AUTHORS : PEARLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL REMARK 3 OF 322 RESTRAINTS, 285 ARE NOE-DERIVED DISTANCE CONSTRAINTS, REMARK 3 29 DIHEDRAL ANGLE RESTRAINTS, NO DISTANCE RESTRAINTS FROM REMARK 3 HYDROGEN BONDS. REMARK 4 REMARK 4 1EI0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-FEB-00. REMARK 100 THE RCSB ID CODE IS RCSB010592. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : 0 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM ALPHA2-P8 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : UXNMR 94, GIFA 4.2, DIANA 2.1 REMARK 210 METHOD USED : DISTANCE GEOMETRY, MOLECULAR REMARK 210 DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 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 PRO A 2 -80.85 -50.47 REMARK 500 CYS A 3 25.88 -147.08 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HP8 RELATED DB: PDB REMARK 900 AVERAGE NMR STRUCTURE OF P8MTCP1 REMARK 900 RELATED ID: 2HP8 RELATED DB: PDB REMARK 900 30 BEST NMR STRUCTURES OF P8MTCP1 DBREF 1EI0 A 1 38 UNP P56277 MTCPA_HUMAN 5 42 SEQADV 1EI0 ALA A 8 UNP P56277 CYS 12 SEE REMARK 999 SEQADV 1EI0 LEU A 20 UNP P56277 MET 24 SEE REMARK 999 SEQADV 1EI0 LYS A 32 UNP P56277 ARG 36 SEE REMARK 999 SEQADV 1EI0 ALA A 35 UNP P56277 CYS 39 SEE REMARK 999 SEQRES 1 A 38 ASP PRO CYS GLN LYS GLN ALA ALA GLU ILE GLN LYS CYS SEQRES 2 A 38 LEU GLN ALA ASN SER TYR LEU GLU SER LYS CYS GLN ALA SEQRES 3 A 38 VAL ILE GLN GLU LEU LYS LYS CYS ALA ALA GLN TYR HELIX 1 1 CYS A 3 ASN A 17 1 15 HELIX 2 2 LEU A 20 LYS A 23 5 4 HELIX 3 3 CYS A 24 TYR A 38 1 15 SSBOND *** CYS A 3 CYS A 34 1555 1555 2.03 SSBOND *** CYS A 13 CYS A 24 1555 1555 2.03 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 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 Set 1.1: A 33 LYS NZ :NH3+ 172:sc=-0.00948 (180deg=-0.0961) USER MOD Set 1.2: A 37 GLN : amide:sc= -0.443 X(o=-0.45,f=-0.0095) USER MOD Set 2.1: A 25 GLN : amide:sc= 1.12 K(o=1.4,f=-1.8) USER MOD Set 2.2: A 29 GLN : amide:sc= 0.301 K(o=1.4,f=0.63) USER MOD Single : A 1 ASP N :NH3+ -122:sc= 0.229 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0.475 X(o=0.47,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.272) USER MOD Single : A 6 GLN : amide:sc= 1.4 K(o=1.4,f=-7.4!) USER MOD Single : A 11 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.6) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 17 ASN : amide:sc= 1.04 K(o=1,f=-2.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0467 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 6.608 13.604 0.992 1.00 0.00 N ATOM 2 CA ASP A 1 5.940 13.464 -0.292 1.00 0.00 C ATOM 3 C ASP A 1 4.484 13.008 -0.040 1.00 0.00 C ATOM 4 O ASP A 1 4.148 12.816 1.128 1.00 0.00 O ATOM 5 CB ASP A 1 6.784 12.556 -1.212 1.00 0.00 C ATOM 6 CG ASP A 1 6.704 11.044 -0.956 1.00 0.00 C ATOM 7 OD1 ASP A 1 5.580 10.500 -0.848 1.00 0.00 O ATOM 8 OD2 ASP A 1 7.788 10.412 -0.976 1.00 0.00 O ATOM 0 H1 ASP A 1 6.961 14.577 1.095 1.00 0.00 H new ATOM 0 H2 ASP A 1 5.935 13.397 1.758 1.00 0.00 H new ATOM 0 H3 ASP A 1 7.406 12.939 1.043 1.00 0.00 H new ATOM 0 HA ASP A 1 5.863 14.408 -0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 1 6.482 12.742 -2.243 1.00 0.00 H new ATOM 0 HB3 ASP A 1 7.827 12.860 -1.125 1.00 0.00 H new ATOM 13 N PRO A 2 3.620 12.868 -1.072 1.00 0.00 N ATOM 14 CA PRO A 2 2.256 12.356 -0.936 1.00 0.00 C ATOM 15 C PRO A 2 2.176 11.032 -0.164 1.00 0.00 C ATOM 16 O PRO A 2 1.832 11.036 1.016 1.00 0.00 O ATOM 17 CB PRO A 2 1.692 12.280 -2.372 1.00 0.00 C ATOM 18 CG PRO A 2 2.504 13.328 -3.120 1.00 0.00 C ATOM 19 CD PRO A 2 3.876 13.212 -2.460 1.00 0.00 C ATOM 0 HA PRO A 2 1.648 13.020 -0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.821 11.287 -2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.625 12.503 -2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.549 13.120 -4.189 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.082 14.326 -3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.481 12.447 -2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.427 14.150 -2.535 1.00 0.00 H new ATOM 27 N CYS A 3 2.452 9.896 -0.824 1.00 0.00 N ATOM 28 CA CYS A 3 2.116 8.568 -0.308 1.00 0.00 C ATOM 29 C CYS A 3 3.120 7.480 -0.708 1.00 0.00 C ATOM 30 O CYS A 3 2.744 6.308 -0.804 1.00 0.00 O ATOM 31 CB CYS A 3 0.708 8.204 -0.792 1.00 0.00 C ATOM 32 SG CYS A 3 -0.540 9.516 -0.716 1.00 0.00 S ATOM 0 H CYS A 3 2.916 9.877 -1.732 1.00 0.00 H new ATOM 0 HA CYS A 3 2.156 8.615 0.780 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.780 7.862 -1.824 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.352 7.360 -0.201 1.00 0.00 H new ATOM 37 N GLN A 4 4.380 7.832 -0.980 1.00 0.00 N ATOM 38 CA GLN A 4 5.376 6.840 -1.396 1.00 0.00 C ATOM 39 C GLN A 4 5.576 5.760 -0.316 1.00 0.00 C ATOM 40 O GLN A 4 5.764 4.596 -0.664 1.00 0.00 O ATOM 41 CB GLN A 4 6.696 7.536 -1.748 1.00 0.00 C ATOM 42 CG GLN A 4 7.684 6.600 -2.460 1.00 0.00 C ATOM 43 CD GLN A 4 9.016 7.252 -2.856 1.00 0.00 C ATOM 44 OE1 GLN A 4 9.844 6.612 -3.492 1.00 0.00 O ATOM 45 NE2 GLN A 4 9.280 8.508 -2.508 1.00 0.00 N ATOM 0 H GLN A 4 4.732 8.787 -0.921 1.00 0.00 H new ATOM 0 HA GLN A 4 5.008 6.333 -2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 4 6.491 8.395 -2.386 1.00 0.00 H new ATOM 0 HB3 GLN A 4 7.156 7.918 -0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.891 5.750 -1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 4 7.207 6.206 -3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.594 9.045 -1.978 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.169 8.934 -2.771 1.00 0.00 H new ATOM 54 N LYS A 5 5.472 6.116 0.972 1.00 0.00 N ATOM 55 CA LYS A 5 5.468 5.148 2.068 1.00 0.00 C ATOM 56 C LYS A 5 4.340 4.148 1.888 1.00 0.00 C ATOM 57 O LYS A 5 4.592 2.952 1.932 1.00 0.00 O ATOM 58 CB LYS A 5 5.344 5.836 3.436 1.00 0.00 C ATOM 59 CG LYS A 5 6.712 6.016 4.116 1.00 0.00 C ATOM 60 CD LYS A 5 7.036 7.480 4.420 1.00 0.00 C ATOM 61 CE LYS A 5 6.264 8.016 5.628 1.00 0.00 C ATOM 62 NZ LYS A 5 5.060 8.772 5.236 1.00 0.00 N ATOM 0 H LYS A 5 5.388 7.085 1.279 1.00 0.00 H new ATOM 0 HA LYS A 5 6.423 4.623 2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.870 6.810 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.693 5.246 4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.729 5.445 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.489 5.603 3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.106 7.581 4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.804 8.089 3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.974 7.183 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.918 8.659 6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.735 9.348 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.286 9.393 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.308 8.109 4.960 1.00 0.00 H new ATOM 76 N GLN A 6 3.112 4.620 1.676 1.00 0.00 N ATOM 77 CA GLN A 6 1.976 3.744 1.448 1.00 0.00 C ATOM 78 C GLN A 6 2.232 2.868 0.228 1.00 0.00 C ATOM 79 O GLN A 6 2.004 1.672 0.316 1.00 0.00 O ATOM 80 CB GLN A 6 0.648 4.496 1.272 1.00 0.00 C ATOM 81 CG GLN A 6 0.144 5.176 2.552 1.00 0.00 C ATOM 82 CD GLN A 6 0.724 6.564 2.820 1.00 0.00 C ATOM 83 OE1 GLN A 6 1.836 6.904 2.432 1.00 0.00 O ATOM 84 NE2 GLN A 6 -0.040 7.404 3.500 1.00 0.00 N ATOM 0 H GLN A 6 2.883 5.614 1.658 1.00 0.00 H new ATOM 0 HA GLN A 6 1.875 3.132 2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.769 5.251 0.495 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.111 3.796 0.921 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.942 5.257 2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.374 4.533 3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.964 7.110 3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.295 8.345 3.706 1.00 0.00 H new ATOM 93 N ALA A 7 2.728 3.428 -0.880 1.00 0.00 N ATOM 94 CA ALA A 7 3.024 2.640 -2.080 1.00 0.00 C ATOM 95 C ALA A 7 4.036 1.528 -1.768 1.00 0.00 C ATOM 96 O ALA A 7 3.820 0.372 -2.136 1.00 0.00 O ATOM 97 CB ALA A 7 3.520 3.560 -3.200 1.00 0.00 C ATOM 0 H ALA A 7 2.933 4.423 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 7 2.109 2.155 -2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.738 2.967 -4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.750 4.295 -3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.425 4.073 -2.875 1.00 0.00 H new ATOM 103 N ALA A 8 5.116 1.868 -1.056 1.00 0.00 N ATOM 104 CA ALA A 8 6.124 0.916 -0.612 1.00 0.00 C ATOM 105 C ALA A 8 5.520 -0.128 0.328 1.00 0.00 C ATOM 106 O ALA A 8 5.764 -1.316 0.148 1.00 0.00 O ATOM 107 CB ALA A 8 7.288 1.656 0.052 1.00 0.00 C ATOM 0 H ALA A 8 5.312 2.828 -0.771 1.00 0.00 H new ATOM 0 HA ALA A 8 6.507 0.384 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.037 0.936 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.737 2.345 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.920 2.215 0.912 1.00 0.00 H new ATOM 113 N GLU A 9 4.720 0.280 1.316 1.00 0.00 N ATOM 114 CA GLU A 9 4.080 -0.620 2.264 1.00 0.00 C ATOM 115 C GLU A 9 3.008 -1.488 1.600 1.00 0.00 C ATOM 116 O GLU A 9 2.816 -2.620 2.020 1.00 0.00 O ATOM 117 CB GLU A 9 3.504 0.164 3.452 1.00 0.00 C ATOM 118 CG GLU A 9 4.616 0.676 4.376 1.00 0.00 C ATOM 119 CD GLU A 9 4.052 1.464 5.552 1.00 0.00 C ATOM 120 OE1 GLU A 9 3.380 0.828 6.392 1.00 0.00 O ATOM 121 OE2 GLU A 9 4.304 2.688 5.600 1.00 0.00 O ATOM 0 H GLU A 9 4.498 1.262 1.478 1.00 0.00 H new ATOM 0 HA GLU A 9 4.847 -1.298 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.918 1.006 3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.825 -0.475 4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.197 -0.168 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.299 1.308 3.808 1.00 0.00 H new ATOM 128 N ILE A 10 2.344 -1.000 0.544 1.00 0.00 N ATOM 129 CA ILE A 10 1.428 -1.776 -0.288 1.00 0.00 C ATOM 130 C ILE A 10 2.224 -2.868 -0.996 1.00 0.00 C ATOM 131 O ILE A 10 1.828 -4.032 -0.920 1.00 0.00 O ATOM 132 CB ILE A 10 0.636 -0.856 -1.240 1.00 0.00 C ATOM 133 CG1 ILE A 10 -0.444 -0.184 -0.376 1.00 0.00 C ATOM 134 CG2 ILE A 10 -0.036 -1.612 -2.400 1.00 0.00 C ATOM 135 CD1 ILE A 10 -0.980 1.100 -0.968 1.00 0.00 C ATOM 0 H ILE A 10 2.434 -0.030 0.241 1.00 0.00 H new ATOM 0 HA ILE A 10 0.670 -2.267 0.322 1.00 0.00 H new ATOM 0 HB ILE A 10 1.319 -0.145 -1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.270 -0.881 -0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.030 0.025 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.576 -0.905 -3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.725 -2.120 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.734 -2.347 -1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.737 1.518 -0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.165 1.815 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.424 0.894 -1.942 1.00 0.00 H new ATOM 147 N GLN A 11 3.356 -2.520 -1.628 1.00 0.00 N ATOM 148 CA GLN A 11 4.272 -3.504 -2.212 1.00 0.00 C ATOM 149 C GLN A 11 4.692 -4.524 -1.152 1.00 0.00 C ATOM 150 O GLN A 11 4.560 -5.720 -1.376 1.00 0.00 O ATOM 151 CB GLN A 11 5.528 -2.844 -2.820 1.00 0.00 C ATOM 152 CG GLN A 11 5.340 -2.256 -4.228 1.00 0.00 C ATOM 153 CD GLN A 11 5.100 -3.304 -5.316 1.00 0.00 C ATOM 154 OE1 GLN A 11 5.012 -4.504 -5.072 1.00 0.00 O ATOM 155 NE2 GLN A 11 4.996 -2.872 -6.564 1.00 0.00 N ATOM 0 H GLN A 11 3.658 -1.553 -1.747 1.00 0.00 H new ATOM 0 HA GLN A 11 3.736 -4.004 -3.019 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.861 -2.049 -2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.327 -3.585 -2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.497 -1.565 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.224 -1.674 -4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.069 -1.875 -6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.843 -3.536 -7.323 1.00 0.00 H new ATOM 164 N LYS A 12 5.172 -4.052 0.008 1.00 0.00 N ATOM 165 CA LYS A 12 5.644 -4.872 1.120 1.00 0.00 C ATOM 166 C LYS A 12 4.552 -5.840 1.572 1.00 0.00 C ATOM 167 O LYS A 12 4.792 -7.040 1.700 1.00 0.00 O ATOM 168 CB LYS A 12 6.084 -3.948 2.272 1.00 0.00 C ATOM 169 CG LYS A 12 7.404 -4.352 2.924 1.00 0.00 C ATOM 170 CD LYS A 12 7.824 -3.244 3.908 1.00 0.00 C ATOM 171 CE LYS A 12 9.056 -3.612 4.736 1.00 0.00 C ATOM 172 NZ LYS A 12 10.248 -3.828 3.896 1.00 0.00 N ATOM 0 H LYS A 12 5.242 -3.052 0.199 1.00 0.00 H new ATOM 0 HA LYS A 12 6.497 -5.470 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.175 -2.930 1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.304 -3.936 3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.292 -5.301 3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.173 -4.495 2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.028 -2.330 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.993 -3.029 4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.259 -2.818 5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.849 -4.516 5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.058 -4.075 4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.066 -4.603 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.463 -2.958 3.368 1.00 0.00 H new ATOM 186 N CYS A 13 3.348 -5.304 1.784 1.00 0.00 N ATOM 187 CA CYS A 13 2.176 -6.060 2.172 1.00 0.00 C ATOM 188 C CYS A 13 1.888 -7.116 1.116 1.00 0.00 C ATOM 189 O CYS A 13 1.744 -8.284 1.468 1.00 0.00 O ATOM 190 CB CYS A 13 0.988 -5.120 2.408 1.00 0.00 C ATOM 191 SG CYS A 13 -0.512 -5.964 2.968 1.00 0.00 S ATOM 0 H CYS A 13 3.166 -4.305 1.685 1.00 0.00 H new ATOM 0 HA CYS A 13 2.356 -6.575 3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.270 -4.372 3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.770 -4.586 1.483 1.00 0.00 H new ATOM 196 N LEU A 14 1.804 -6.736 -0.164 1.00 0.00 N ATOM 197 CA LEU A 14 1.508 -7.684 -1.228 1.00 0.00 C ATOM 198 C LEU A 14 2.568 -8.768 -1.280 1.00 0.00 C ATOM 199 O LEU A 14 2.216 -9.940 -1.320 1.00 0.00 O ATOM 200 CB LEU A 14 1.356 -7.016 -2.608 1.00 0.00 C ATOM 201 CG LEU A 14 -0.132 -6.892 -2.988 1.00 0.00 C ATOM 202 CD1 LEU A 14 -0.720 -5.640 -2.328 1.00 0.00 C ATOM 203 CD2 LEU A 14 -0.348 -6.736 -4.500 1.00 0.00 C ATOM 0 H LEU A 14 1.938 -5.776 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 14 0.542 -8.129 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.817 -6.028 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.882 -7.602 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.615 -7.809 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.773 -5.549 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.625 -5.721 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.180 -4.759 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.415 -6.653 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.161 -5.838 -4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.056 -7.606 -5.017 1.00 0.00 H new ATOM 215 N GLN A 15 3.844 -8.396 -1.236 1.00 0.00 N ATOM 216 CA GLN A 15 4.976 -9.316 -1.200 1.00 0.00 C ATOM 217 C GLN A 15 4.804 -10.344 -0.080 1.00 0.00 C ATOM 218 O GLN A 15 4.968 -11.536 -0.328 1.00 0.00 O ATOM 219 CB GLN A 15 6.284 -8.524 -1.020 1.00 0.00 C ATOM 220 CG GLN A 15 7.000 -8.232 -2.348 1.00 0.00 C ATOM 221 CD GLN A 15 8.108 -9.240 -2.676 1.00 0.00 C ATOM 222 OE1 GLN A 15 9.164 -8.868 -3.172 1.00 0.00 O ATOM 223 NE2 GLN A 15 7.924 -10.528 -2.396 1.00 0.00 N ATOM 0 H GLN A 15 4.127 -7.416 -1.224 1.00 0.00 H new ATOM 0 HA GLN A 15 5.020 -9.858 -2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.065 -7.582 -0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.954 -9.085 -0.368 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.267 -8.233 -3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.430 -7.231 -2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.045 -10.840 -1.983 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.662 -11.204 -2.595 1.00 0.00 H new ATOM 232 N ALA A 16 4.452 -9.880 1.124 1.00 0.00 N ATOM 233 CA ALA A 16 4.224 -10.736 2.288 1.00 0.00 C ATOM 234 C ALA A 16 2.944 -11.588 2.184 1.00 0.00 C ATOM 235 O ALA A 16 2.772 -12.512 2.972 1.00 0.00 O ATOM 236 CB ALA A 16 4.192 -9.864 3.544 1.00 0.00 C ATOM 0 H ALA A 16 4.316 -8.888 1.317 1.00 0.00 H new ATOM 0 HA ALA A 16 5.047 -11.449 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.022 -10.492 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.144 -9.344 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.387 -9.134 3.460 1.00 0.00 H new ATOM 242 N ASN A 17 2.056 -11.292 1.232 1.00 0.00 N ATOM 243 CA ASN A 17 0.748 -11.912 1.028 1.00 0.00 C ATOM 244 C ASN A 17 0.640 -12.476 -0.400 1.00 0.00 C ATOM 245 O ASN A 17 -0.464 -12.644 -0.916 1.00 0.00 O ATOM 246 CB ASN A 17 -0.344 -10.896 1.376 1.00 0.00 C ATOM 247 CG ASN A 17 -0.380 -10.620 2.880 1.00 0.00 C ATOM 248 OD1 ASN A 17 -0.896 -11.408 3.660 1.00 0.00 O ATOM 249 ND2 ASN A 17 0.172 -9.508 3.328 1.00 0.00 N ATOM 0 H ASN A 17 2.245 -10.567 0.540 1.00 0.00 H new ATOM 0 HA ASN A 17 0.616 -12.766 1.692 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.165 -9.966 0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.313 -11.273 1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.169 -9.304 4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.602 -8.853 2.675 1.00 0.00 H new ATOM 256 N SER A 18 1.772 -12.768 -1.056 1.00 0.00 N ATOM 257 CA SER A 18 1.852 -13.408 -2.372 1.00 0.00 C ATOM 258 C SER A 18 1.068 -12.652 -3.460 1.00 0.00 C ATOM 259 O SER A 18 0.488 -13.272 -4.348 1.00 0.00 O ATOM 260 CB SER A 18 1.436 -14.880 -2.252 1.00 0.00 C ATOM 261 OG SER A 18 2.204 -15.536 -1.264 1.00 0.00 O ATOM 0 H SER A 18 2.691 -12.556 -0.668 1.00 0.00 H new ATOM 0 HA SER A 18 2.889 -13.369 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.378 -14.945 -2.000 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.566 -15.379 -3.212 1.00 0.00 H new ATOM 0 HG SER A 18 1.924 -16.473 -1.200 1.00 0.00 H new ATOM 267 N TYR A 19 1.052 -11.316 -3.392 1.00 0.00 N ATOM 268 CA TYR A 19 0.328 -10.408 -4.276 1.00 0.00 C ATOM 269 C TYR A 19 -1.200 -10.536 -4.152 1.00 0.00 C ATOM 270 O TYR A 19 -1.928 -10.016 -5.000 1.00 0.00 O ATOM 271 CB TYR A 19 0.872 -10.452 -5.720 1.00 0.00 C ATOM 272 CG TYR A 19 2.356 -10.128 -5.836 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.804 -8.804 -5.648 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.292 -11.140 -6.116 1.00 0.00 C ATOM 275 CE1 TYR A 19 4.172 -8.500 -5.680 1.00 0.00 C ATOM 276 CE2 TYR A 19 4.668 -10.840 -6.184 1.00 0.00 C ATOM 277 CZ TYR A 19 5.116 -9.516 -5.944 1.00 0.00 C ATOM 278 OH TYR A 19 6.440 -9.208 -5.976 1.00 0.00 O ATOM 0 H TYR A 19 1.576 -10.815 -2.675 1.00 0.00 H new ATOM 0 HA TYR A 19 0.528 -9.393 -3.932 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.694 -11.445 -6.134 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.308 -9.747 -6.331 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.085 -8.016 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.955 -12.153 -6.280 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.504 -7.488 -5.503 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.380 -11.618 -6.419 1.00 0.00 H new ATOM 0 HH TYR A 19 6.959 -10.016 -6.169 1.00 0.00 H new ATOM 288 N LEU A 20 -1.704 -11.152 -3.072 1.00 0.00 N ATOM 289 CA LEU A 20 -3.132 -11.176 -2.772 1.00 0.00 C ATOM 290 C LEU A 20 -3.532 -9.820 -2.220 1.00 0.00 C ATOM 291 O LEU A 20 -3.556 -9.568 -1.016 1.00 0.00 O ATOM 292 CB LEU A 20 -3.544 -12.272 -1.792 1.00 0.00 C ATOM 293 CG LEU A 20 -3.484 -13.692 -2.380 1.00 0.00 C ATOM 294 CD1 LEU A 20 -3.624 -14.716 -1.244 1.00 0.00 C ATOM 295 CD2 LEU A 20 -4.600 -13.932 -3.408 1.00 0.00 C ATOM 0 H LEU A 20 -1.130 -11.644 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.651 -11.400 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.896 -12.225 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.559 -12.075 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.525 -13.804 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.582 -15.724 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.811 -14.581 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.578 -14.570 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.522 -14.946 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.570 -13.801 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.500 -13.219 -4.226 1.00 0.00 H new ATOM 307 N GLU A 21 -3.876 -8.964 -3.168 1.00 0.00 N ATOM 308 CA GLU A 21 -4.308 -7.596 -2.984 1.00 0.00 C ATOM 309 C GLU A 21 -5.356 -7.468 -1.876 1.00 0.00 C ATOM 310 O GLU A 21 -5.304 -6.524 -1.092 1.00 0.00 O ATOM 311 CB GLU A 21 -4.844 -7.076 -4.324 1.00 0.00 C ATOM 312 CG GLU A 21 -4.616 -5.576 -4.408 1.00 0.00 C ATOM 313 CD GLU A 21 -5.504 -4.924 -5.460 1.00 0.00 C ATOM 314 OE1 GLU A 21 -5.152 -5.012 -6.656 1.00 0.00 O ATOM 315 OE2 GLU A 21 -6.536 -4.348 -5.040 1.00 0.00 O ATOM 0 H GLU A 21 -3.858 -9.229 -4.153 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.459 -6.992 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.341 -7.579 -5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.907 -7.300 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.813 -5.124 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.570 -5.381 -4.644 1.00 0.00 H new ATOM 322 N SER A 22 -6.268 -8.440 -1.764 1.00 0.00 N ATOM 323 CA SER A 22 -7.320 -8.504 -0.760 1.00 0.00 C ATOM 324 C SER A 22 -6.796 -8.404 0.676 1.00 0.00 C ATOM 325 O SER A 22 -7.504 -7.872 1.532 1.00 0.00 O ATOM 326 CB SER A 22 -8.092 -9.820 -0.948 1.00 0.00 C ATOM 327 OG SER A 22 -8.300 -10.088 -2.324 1.00 0.00 O ATOM 0 H SER A 22 -6.288 -9.236 -2.402 1.00 0.00 H new ATOM 0 HA SER A 22 -7.970 -7.641 -0.905 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.538 -10.641 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.052 -9.760 -0.435 1.00 0.00 H new ATOM 0 HG SER A 22 -8.791 -10.930 -2.423 1.00 0.00 H new ATOM 333 N LYS A 23 -5.560 -8.844 0.952 1.00 0.00 N ATOM 334 CA LYS A 23 -4.976 -8.772 2.300 1.00 0.00 C ATOM 335 C LYS A 23 -4.380 -7.388 2.584 1.00 0.00 C ATOM 336 O LYS A 23 -4.052 -7.072 3.724 1.00 0.00 O ATOM 337 CB LYS A 23 -3.888 -9.848 2.468 1.00 0.00 C ATOM 338 CG LYS A 23 -4.404 -11.272 2.176 1.00 0.00 C ATOM 339 CD LYS A 23 -3.812 -12.344 3.096 1.00 0.00 C ATOM 340 CE LYS A 23 -4.688 -13.596 3.092 1.00 0.00 C ATOM 341 NZ LYS A 23 -4.052 -14.688 3.844 1.00 0.00 N ATOM 0 H LYS A 23 -4.941 -9.257 0.254 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.779 -8.950 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.056 -9.624 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.499 -9.809 3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.490 -11.282 2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.174 -11.527 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.804 -12.597 2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.728 -11.955 4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.659 -13.366 3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.869 -13.914 2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.667 -15.526 3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.136 -14.921 3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.902 -14.390 4.829 1.00 0.00 H new ATOM 355 N CYS A 24 -4.264 -6.556 1.548 1.00 0.00 N ATOM 356 CA CYS A 24 -3.564 -5.276 1.528 1.00 0.00 C ATOM 357 C CYS A 24 -4.492 -4.148 1.072 1.00 0.00 C ATOM 358 O CYS A 24 -4.092 -2.988 1.044 1.00 0.00 O ATOM 359 CB CYS A 24 -2.344 -5.456 0.632 1.00 0.00 C ATOM 360 SG CYS A 24 -1.260 -6.764 1.256 1.00 0.00 S ATOM 0 H CYS A 24 -4.684 -6.774 0.644 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.237 -4.981 2.525 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.666 -5.699 -0.381 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.791 -4.519 0.574 1.00 0.00 H new ATOM 365 N GLN A 25 -5.760 -4.464 0.788 1.00 0.00 N ATOM 366 CA GLN A 25 -6.788 -3.504 0.456 1.00 0.00 C ATOM 367 C GLN A 25 -6.972 -2.468 1.556 1.00 0.00 C ATOM 368 O GLN A 25 -7.136 -1.300 1.228 1.00 0.00 O ATOM 369 CB GLN A 25 -8.088 -4.240 0.084 1.00 0.00 C ATOM 370 CG GLN A 25 -8.228 -4.312 -1.448 1.00 0.00 C ATOM 371 CD GLN A 25 -8.488 -2.936 -2.076 1.00 0.00 C ATOM 372 OE1 GLN A 25 -9.036 -2.040 -1.444 1.00 0.00 O ATOM 373 NE2 GLN A 25 -8.076 -2.728 -3.320 1.00 0.00 N ATOM 0 H GLN A 25 -6.097 -5.427 0.786 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.475 -2.935 -0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.081 -5.245 0.505 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.946 -3.721 0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -7.319 -4.737 -1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.045 -4.986 -1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.621 -3.479 -3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.214 -1.817 -3.757 1.00 0.00 H new ATOM 382 N ALA A 26 -6.828 -2.832 2.836 1.00 0.00 N ATOM 383 CA ALA A 26 -6.820 -1.872 3.944 1.00 0.00 C ATOM 384 C ALA A 26 -5.688 -0.840 3.820 1.00 0.00 C ATOM 385 O ALA A 26 -5.844 0.304 4.248 1.00 0.00 O ATOM 386 CB ALA A 26 -6.700 -2.636 5.264 1.00 0.00 C ATOM 0 H ALA A 26 -6.714 -3.801 3.132 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.756 -1.314 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.693 -1.929 6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.547 -3.313 5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.774 -3.210 5.269 1.00 0.00 H new ATOM 392 N VAL A 27 -4.564 -1.208 3.196 1.00 0.00 N ATOM 393 CA VAL A 27 -3.412 -0.336 2.996 1.00 0.00 C ATOM 394 C VAL A 27 -3.676 0.532 1.756 1.00 0.00 C ATOM 395 O VAL A 27 -3.348 1.720 1.756 1.00 0.00 O ATOM 396 CB VAL A 27 -2.120 -1.184 2.840 1.00 0.00 C ATOM 397 CG1 VAL A 27 -0.884 -0.344 3.172 1.00 0.00 C ATOM 398 CG2 VAL A 27 -2.032 -2.432 3.736 1.00 0.00 C ATOM 0 H VAL A 27 -4.431 -2.142 2.809 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.266 0.313 3.860 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.158 -1.512 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.012 -0.954 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.831 0.509 2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.951 0.012 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.092 -2.950 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.077 -2.132 4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.865 -3.099 3.514 1.00 0.00 H new ATOM 408 N ILE A 28 -4.336 -0.016 0.732 1.00 0.00 N ATOM 409 CA ILE A 28 -4.800 0.704 -0.456 1.00 0.00 C ATOM 410 C ILE A 28 -5.888 1.716 -0.080 1.00 0.00 C ATOM 411 O ILE A 28 -5.880 2.812 -0.636 1.00 0.00 O ATOM 412 CB ILE A 28 -5.248 -0.300 -1.544 1.00 0.00 C ATOM 413 CG1 ILE A 28 -4.056 -1.180 -1.984 1.00 0.00 C ATOM 414 CG2 ILE A 28 -5.848 0.416 -2.768 1.00 0.00 C ATOM 415 CD1 ILE A 28 -4.480 -2.460 -2.700 1.00 0.00 C ATOM 0 H ILE A 28 -4.570 -1.008 0.707 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.979 1.282 -0.881 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.024 -0.930 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.410 -0.600 -2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.464 -1.442 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.151 -0.323 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.717 0.997 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.102 1.081 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.594 -3.030 -2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.102 -3.060 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.047 -2.205 -3.595 1.00 0.00 H new ATOM 427 N GLN A 29 -6.776 1.412 0.872 1.00 0.00 N ATOM 428 CA GLN A 29 -7.688 2.408 1.432 1.00 0.00 C ATOM 429 C GLN A 29 -6.884 3.576 2.008 1.00 0.00 C ATOM 430 O GLN A 29 -7.212 4.736 1.752 1.00 0.00 O ATOM 431 CB GLN A 29 -8.596 1.816 2.528 1.00 0.00 C ATOM 432 CG GLN A 29 -9.584 0.708 2.124 1.00 0.00 C ATOM 433 CD GLN A 29 -10.328 0.996 0.824 1.00 0.00 C ATOM 434 OE1 GLN A 29 -11.044 1.984 0.720 1.00 0.00 O ATOM 435 NE2 GLN A 29 -10.200 0.156 -0.196 1.00 0.00 N ATOM 0 H GLN A 29 -6.881 0.479 1.271 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.331 2.755 0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.955 1.421 3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.170 2.633 2.964 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.041 -0.231 2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.310 0.571 2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.603 -0.666 -0.108 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.698 0.333 -1.068 1.00 0.00 H new ATOM 444 N GLU A 30 -5.812 3.280 2.756 1.00 0.00 N ATOM 445 CA GLU A 30 -4.920 4.288 3.324 1.00 0.00 C ATOM 446 C GLU A 30 -4.296 5.132 2.208 1.00 0.00 C ATOM 447 O GLU A 30 -4.360 6.356 2.272 1.00 0.00 O ATOM 448 CB GLU A 30 -3.864 3.616 4.232 1.00 0.00 C ATOM 449 CG GLU A 30 -3.656 4.324 5.580 1.00 0.00 C ATOM 450 CD GLU A 30 -2.808 5.604 5.560 1.00 0.00 C ATOM 451 OE1 GLU A 30 -2.308 5.996 4.484 1.00 0.00 O ATOM 452 OE2 GLU A 30 -2.648 6.180 6.660 1.00 0.00 O ATOM 0 H GLU A 30 -5.541 2.323 2.983 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.490 4.970 3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.163 2.584 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.913 3.581 3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.635 4.570 5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.191 3.618 6.268 1.00 0.00 H new ATOM 459 N LEU A 31 -3.756 4.500 1.156 1.00 0.00 N ATOM 460 CA LEU A 31 -3.228 5.192 -0.024 1.00 0.00 C ATOM 461 C LEU A 31 -4.296 6.052 -0.700 1.00 0.00 C ATOM 462 O LEU A 31 -4.008 7.192 -1.056 1.00 0.00 O ATOM 463 CB LEU A 31 -2.660 4.168 -1.020 1.00 0.00 C ATOM 464 CG LEU A 31 -2.172 4.736 -2.376 1.00 0.00 C ATOM 465 CD1 LEU A 31 -0.820 5.424 -2.216 1.00 0.00 C ATOM 466 CD2 LEU A 31 -2.056 3.632 -3.432 1.00 0.00 C ATOM 0 H LEU A 31 -3.674 3.485 1.102 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.431 5.858 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.826 3.652 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.427 3.419 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.912 5.464 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.495 5.816 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.911 6.243 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.087 4.705 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.711 4.063 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.343 2.879 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.031 3.168 -3.581 1.00 0.00 H new ATOM 478 N LYS A 32 -5.520 5.544 -0.896 1.00 0.00 N ATOM 479 CA LYS A 32 -6.600 6.356 -1.468 1.00 0.00 C ATOM 480 C LYS A 32 -6.880 7.576 -0.596 1.00 0.00 C ATOM 481 O LYS A 32 -6.972 8.688 -1.116 1.00 0.00 O ATOM 482 CB LYS A 32 -7.876 5.528 -1.668 1.00 0.00 C ATOM 483 CG LYS A 32 -7.832 4.752 -2.988 1.00 0.00 C ATOM 484 CD LYS A 32 -9.172 4.056 -3.276 1.00 0.00 C ATOM 485 CE LYS A 32 -8.936 2.620 -3.744 1.00 0.00 C ATOM 486 NZ LYS A 32 -10.164 2.020 -4.288 1.00 0.00 N ATOM 0 H LYS A 32 -5.785 4.585 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.271 6.702 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.995 4.832 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.745 6.186 -1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.592 5.433 -3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.036 4.009 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.790 4.056 -2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.720 4.609 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.156 2.608 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.575 2.019 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.968 1.046 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.900 2.009 -3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.494 2.580 -5.100 1.00 0.00 H new ATOM 500 N LYS A 33 -7.000 7.388 0.720 1.00 0.00 N ATOM 501 CA LYS A 33 -7.268 8.492 1.636 1.00 0.00 C ATOM 502 C LYS A 33 -6.104 9.488 1.628 1.00 0.00 C ATOM 503 O LYS A 33 -6.312 10.696 1.580 1.00 0.00 O ATOM 504 CB LYS A 33 -7.568 7.936 3.036 1.00 0.00 C ATOM 505 CG LYS A 33 -8.536 8.860 3.792 1.00 0.00 C ATOM 506 CD LYS A 33 -9.024 8.244 5.108 1.00 0.00 C ATOM 507 CE LYS A 33 -7.916 8.044 6.152 1.00 0.00 C ATOM 508 NZ LYS A 33 -7.272 9.312 6.528 1.00 0.00 N ATOM 0 H LYS A 33 -6.915 6.478 1.173 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.149 9.044 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.000 6.939 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.640 7.834 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.041 9.809 4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.394 9.081 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.798 8.884 5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.488 7.281 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.337 7.575 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.165 7.360 5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.628 9.150 7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.733 9.681 5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.999 10.003 6.803 1.00 0.00 H new ATOM 522 N CYS A 34 -4.872 8.972 1.580 1.00 0.00 N ATOM 523 CA CYS A 34 -3.648 9.736 1.432 1.00 0.00 C ATOM 524 C CYS A 34 -3.684 10.588 0.160 1.00 0.00 C ATOM 525 O CYS A 34 -3.404 11.784 0.208 1.00 0.00 O ATOM 526 CB CYS A 34 -2.472 8.764 1.372 1.00 0.00 C ATOM 527 SG CYS A 34 -0.904 9.632 1.276 1.00 0.00 S ATOM 0 H CYS A 34 -4.703 7.968 1.647 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.540 10.409 2.283 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.482 8.125 2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.582 8.112 0.505 1.00 0.00 H new ATOM 532 N ALA A 35 -4.020 9.964 -0.972 1.00 0.00 N ATOM 533 CA ALA A 35 -4.116 10.628 -2.264 1.00 0.00 C ATOM 534 C ALA A 35 -5.172 11.732 -2.220 1.00 0.00 C ATOM 535 O ALA A 35 -4.916 12.840 -2.696 1.00 0.00 O ATOM 536 CB ALA A 35 -4.416 9.600 -3.360 1.00 0.00 C ATOM 0 H ALA A 35 -4.235 8.968 -1.012 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.161 11.099 -2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.486 10.105 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.615 8.861 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.360 9.101 -3.142 1.00 0.00 H new ATOM 542 N ALA A 36 -6.336 11.448 -1.620 1.00 0.00 N ATOM 543 CA ALA A 36 -7.408 12.424 -1.432 1.00 0.00 C ATOM 544 C ALA A 36 -6.964 13.612 -0.568 1.00 0.00 C ATOM 545 O ALA A 36 -7.444 14.724 -0.796 1.00 0.00 O ATOM 546 CB ALA A 36 -8.632 11.732 -0.824 1.00 0.00 C ATOM 0 H ALA A 36 -6.558 10.524 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.671 12.830 -2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.430 12.461 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.974 10.943 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.364 11.299 0.140 1.00 0.00 H new ATOM 552 N GLN A 37 -6.056 13.404 0.396 1.00 0.00 N ATOM 553 CA GLN A 37 -5.424 14.488 1.140 1.00 0.00 C ATOM 554 C GLN A 37 -4.424 15.236 0.252 1.00 0.00 C ATOM 555 O GLN A 37 -4.592 16.428 0.008 1.00 0.00 O ATOM 556 CB GLN A 37 -4.720 13.956 2.396 1.00 0.00 C ATOM 557 CG GLN A 37 -5.656 13.464 3.512 1.00 0.00 C ATOM 558 CD GLN A 37 -4.892 12.712 4.604 1.00 0.00 C ATOM 559 OE1 GLN A 37 -5.416 11.800 5.228 1.00 0.00 O ATOM 560 NE2 GLN A 37 -3.640 13.080 4.860 1.00 0.00 N ATOM 0 H GLN A 37 -5.743 12.475 0.678 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.205 15.181 1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.064 13.135 2.105 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.084 14.745 2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.176 14.315 3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.418 12.811 3.086 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.214 13.842 4.332 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.105 12.600 5.584 1.00 0.00 H new ATOM 569 N TYR A 38 -3.352 14.560 -0.188 1.00 0.00 N ATOM 570 CA TYR A 38 -2.284 15.172 -0.956 1.00 0.00 C ATOM 571 C TYR A 38 -2.708 15.184 -2.424 1.00 0.00 C ATOM 572 O TYR A 38 -1.928 15.548 -3.304 1.00 0.00 O ATOM 573 CB TYR A 38 -0.972 14.392 -0.740 1.00 0.00 C ATOM 574 CG TYR A 38 -0.316 14.600 0.616 1.00 0.00 C ATOM 575 CD1 TYR A 38 -0.900 14.076 1.788 1.00 0.00 C ATOM 576 CD2 TYR A 38 0.920 15.276 0.704 1.00 0.00 C ATOM 577 CE1 TYR A 38 -0.280 14.244 3.036 1.00 0.00 C ATOM 578 CE2 TYR A 38 1.568 15.416 1.944 1.00 0.00 C ATOM 579 CZ TYR A 38 0.964 14.908 3.120 1.00 0.00 C ATOM 580 OH TYR A 38 1.592 15.064 4.320 1.00 0.00 O ATOM 0 H TYR A 38 -3.211 13.565 -0.013 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.103 16.197 -0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.174 13.329 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.264 14.679 -1.517 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.835 13.539 1.724 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.371 15.688 -0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.753 13.866 3.930 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.526 15.911 2.000 1.00 0.00 H new ATOM 0 HH TYR A 38 2.437 15.543 4.187 1.00 0.00 H new TER 590 TYR A 38 CONECT 32 527 CONECT 191 360 CONECT 360 191 CONECT 527 32 END