USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 502 hydrogens (0 hets) HEADER VENOM(POTASSIUM CHANNEL INHIBITOR) 07-MAR-94 1DEM TITLE PROTEINASE INHIBITOR HOMOLOGUES AS POTASSIUM CHANNEL TITLE 2 BLOCKERS COMPND MOL_ID: 1; COMPND 2 MOLECULE: DENDROTOXIN I; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DENDROASPIS POLYLEPIS POLYLEPIS; SOURCE 3 ORGANISM_COMMON: BLACK MAMBA; SOURCE 4 ORGANISM_TAXID: 8620; SOURCE 5 STRAIN: POLYLEPIS KEYWDS VENOM(POTASSIUM CHANNEL INHIBITOR) EXPDTA SOLUTION NMR AUTHOR J.-M.LANCELIN,M.-F.FORAY REVDAT 3 24-FEB-09 1DEM 1 VERSN REVDAT 2 01-APR-03 1DEM 1 JRNL REVDAT 1 31-MAY-94 1DEM 0 JRNL AUTH J.M.LANCELIN,M.F.FORAY,M.PONCIN,M.HOLLECKER, JRNL AUTH 2 D.MARION JRNL TITL PROTEINASE INHIBITOR HOMOLOGUES AS POTASSIUM JRNL TITL 2 CHANNEL BLOCKERS. JRNL REF NAT.STRUCT.BIOL. V. 1 246 1994 JRNL REFN ISSN 1072-8368 JRNL PMID 7544683 JRNL DOI 10.1038/NSB0494-246 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.-F.FORAY,J.-M.LANCELIN,M.HOLLECKER,D.MARION REMARK 1 TITL SEQUENCE-SPECIFIC 1H-NMR ASSIGNMENT AND SECONDARY REMARK 1 TITL 2 STRUCTURE OF BLACK MAMBA DENDROTOXIN I, A HIGHLY REMARK 1 TITL 3 SELECTIVE BLOCKER OF VOLTAGE-GATED POTASSIUM REMARK 1 TITL 4 CHANNELS REMARK 1 REF EUR.J.BIOCHEM. V. 211 813 1993 REMARK 1 REFN ISSN 0014-2956 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER REMARK 3 AUTHORS : BIOSYM TECHNOLOGIES REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1DEM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL 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: 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 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 HIS A 10 -176.12 59.46 REMARK 500 CYS A 16 55.72 -157.22 REMARK 500 TYR A 17 -2.59 74.54 REMARK 500 GLN A 18 110.56 69.39 REMARK 500 LYS A 19 -16.07 -160.09 REMARK 500 ALA A 22 -141.84 -150.04 REMARK 500 LYS A 28 -37.90 -134.02 REMARK 500 LYS A 29 -127.19 -95.11 REMARK 500 LYS A 30 22.78 -171.56 REMARK 500 SER A 38 -70.73 -106.63 REMARK 500 CYS A 40 66.11 -164.68 REMARK 500 ASN A 43 -103.49 -70.24 REMARK 500 SER A 44 -107.16 -146.02 REMARK 500 ARG A 59 148.99 91.01 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1DEN RELATED DB: PDB DBREF 1DEM A 1 60 UNP P00979 IVBII_DENPO 1 60 SEQRES 1 A 60 GLN PRO LEU ARG LYS LEU CYS ILE LEU HIS ARG ASN PRO SEQRES 2 A 60 GLY ARG CYS TYR GLN LYS ILE PRO ALA PHE TYR TYR ASN SEQRES 3 A 60 GLN LYS LYS LYS GLN CYS GLU GLY PHE THR TRP SER GLY SEQRES 4 A 60 CYS GLY GLY ASN SER ASN ARG PHE LYS THR ILE GLU GLU SEQRES 5 A 60 CYS ARG ARG THR CYS ILE ARG LYS HELIX 1 H1 ILE A 50 ILE A 58 1 9 SHEET 1 S1 2 LYS A 19 GLN A 27 0 SHEET 2 S1 2 GLN A 31 TRP A 37 -1 H PHE A 35 O ALA A 22 SSBOND *** CYS A 7 CYS A 57 1555 1555 2.05 SSBOND *** CYS A 16 CYS A 40 1555 1555 2.06 SSBOND *** CYS A 32 CYS A 53 1555 1555 2.04 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 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 31 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Set 2.1: A 10 HIS : no HD1:sc=-0.00217 K(o=-0.27,f=-0.89) USER MOD Set 2.2: A 27 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.58) USER MOD Set 3.1: A 24 TYR OH : rot 30:sc= 0.00682 USER MOD Set 3.2: A 26 ASN : amide:sc= -0.215 K(o=-0.21,f=-2.8!) USER MOD Single : A 1 GLN : amide:sc= -0.0459 X(o=-0.046,f=-0.046) USER MOD Single : A 1 GLN N :NH3+ -139:sc= 0 (180deg=-0.524) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.107 K(o=0.11,f=-3.1!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.72 K(o=-1.7,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 156:sc= 1.11 USER MOD Single : A 43 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.04 X(o=-1,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc=-0.00824 (180deg=-0.00825) USER MOD Single : A 49 THR OG1 : rot 146:sc= 0.61 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.187 -7.512 -8.641 1.00 0.00 N ATOM 2 CA GLN A 1 -11.707 -8.088 -7.386 1.00 0.00 C ATOM 3 C GLN A 1 -11.546 -7.090 -6.226 1.00 0.00 C ATOM 4 O GLN A 1 -10.538 -7.142 -5.518 1.00 0.00 O ATOM 5 CB GLN A 1 -11.002 -9.425 -7.065 1.00 0.00 C ATOM 6 CG GLN A 1 -11.236 -10.530 -8.110 1.00 0.00 C ATOM 7 CD GLN A 1 -12.706 -10.951 -8.202 1.00 0.00 C ATOM 8 OE1 GLN A 1 -13.170 -11.765 -7.406 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.444 -10.404 -9.172 1.00 0.00 N ATOM 0 H1 GLN A 1 -11.826 -7.754 -9.425 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.127 -6.478 -8.550 1.00 0.00 H new ATOM 0 H3 GLN A 1 -10.241 -7.898 -8.834 1.00 0.00 H new ATOM 0 HA GLN A 1 -12.770 -8.290 -7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -9.931 -9.245 -6.977 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -11.347 -9.780 -6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -10.901 -10.179 -9.086 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -10.628 -11.399 -7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -13.025 -9.732 -9.814 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -14.427 -10.659 -9.270 1.00 0.00 H new ATOM 20 N PRO A 2 -12.517 -6.174 -6.015 1.00 0.00 N ATOM 21 CA PRO A 2 -12.486 -5.183 -4.940 1.00 0.00 C ATOM 22 C PRO A 2 -12.378 -5.838 -3.552 1.00 0.00 C ATOM 23 O PRO A 2 -12.886 -6.940 -3.338 1.00 0.00 O ATOM 24 CB PRO A 2 -13.772 -4.361 -5.083 1.00 0.00 C ATOM 25 CG PRO A 2 -14.124 -4.514 -6.563 1.00 0.00 C ATOM 26 CD PRO A 2 -13.672 -5.942 -6.870 1.00 0.00 C ATOM 0 HA PRO A 2 -11.603 -4.549 -5.022 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.566 -4.740 -4.439 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.614 -3.317 -4.813 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -15.191 -4.380 -6.741 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.603 -3.783 -7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.466 -6.659 -6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.411 -6.054 -7.922 1.00 0.00 H new ATOM 34 N LEU A 3 -11.715 -5.142 -2.617 1.00 0.00 N ATOM 35 CA LEU A 3 -11.449 -5.558 -1.240 1.00 0.00 C ATOM 36 C LEU A 3 -10.734 -6.918 -1.249 1.00 0.00 C ATOM 37 O LEU A 3 -11.293 -7.941 -0.854 1.00 0.00 O ATOM 38 CB LEU A 3 -12.736 -5.554 -0.393 1.00 0.00 C ATOM 39 CG LEU A 3 -13.028 -4.208 0.281 1.00 0.00 C ATOM 40 CD1 LEU A 3 -13.241 -3.106 -0.755 1.00 0.00 C ATOM 41 CD2 LEU A 3 -14.271 -4.331 1.176 1.00 0.00 C ATOM 0 H LEU A 3 -11.329 -4.220 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.785 -4.838 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.580 -5.822 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.658 -6.325 0.374 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.165 -3.939 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.446 -2.164 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.344 -3.002 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.086 -3.365 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.473 -3.371 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.128 -4.623 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.094 -5.086 1.942 1.00 0.00 H new ATOM 53 N ARG A 4 -9.486 -6.899 -1.729 1.00 0.00 N ATOM 54 CA ARG A 4 -8.597 -8.052 -1.831 1.00 0.00 C ATOM 55 C ARG A 4 -7.693 -8.122 -0.595 1.00 0.00 C ATOM 56 O ARG A 4 -7.387 -7.098 0.020 1.00 0.00 O ATOM 57 CB ARG A 4 -7.780 -7.981 -3.134 1.00 0.00 C ATOM 58 CG ARG A 4 -6.874 -6.742 -3.243 1.00 0.00 C ATOM 59 CD ARG A 4 -6.015 -6.766 -4.516 1.00 0.00 C ATOM 60 NE ARG A 4 -6.820 -6.607 -5.738 1.00 0.00 N ATOM 61 CZ ARG A 4 -7.273 -7.582 -6.547 1.00 0.00 C ATOM 62 NH1 ARG A 4 -7.048 -8.880 -6.289 1.00 0.00 N ATOM 63 NH2 ARG A 4 -7.969 -7.244 -7.641 1.00 0.00 N ATOM 0 H ARG A 4 -9.053 -6.041 -2.071 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.189 -8.967 -1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.163 -8.876 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.466 -7.991 -3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.489 -5.842 -3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.225 -6.690 -2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.274 -5.969 -4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.468 -7.707 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.061 -5.651 -6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.520 -9.151 -5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.405 -9.595 -6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.147 -6.261 -7.849 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.320 -7.969 -8.266 1.00 0.00 H new ATOM 77 N LYS A 5 -7.256 -9.339 -0.237 1.00 0.00 N ATOM 78 CA LYS A 5 -6.386 -9.568 0.916 1.00 0.00 C ATOM 79 C LYS A 5 -4.979 -8.990 0.733 1.00 0.00 C ATOM 80 O LYS A 5 -4.225 -8.911 1.702 1.00 0.00 O ATOM 81 CB LYS A 5 -6.339 -11.066 1.267 1.00 0.00 C ATOM 82 CG LYS A 5 -7.729 -11.630 1.612 1.00 0.00 C ATOM 83 CD LYS A 5 -7.680 -13.106 2.040 1.00 0.00 C ATOM 84 CE LYS A 5 -7.046 -13.305 3.425 1.00 0.00 C ATOM 85 NZ LYS A 5 -7.063 -14.722 3.829 1.00 0.00 N ATOM 0 H LYS A 5 -7.499 -10.191 -0.743 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.823 -9.026 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.923 -11.621 0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.668 -11.218 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.168 -11.037 2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.383 -11.528 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.692 -13.511 2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.115 -13.675 1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.018 -12.942 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.585 -12.709 4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.628 -14.820 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.046 -15.061 3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.528 -15.286 3.139 1.00 0.00 H new ATOM 99 N LEU A 6 -4.628 -8.574 -0.490 1.00 0.00 N ATOM 100 CA LEU A 6 -3.347 -7.955 -0.800 1.00 0.00 C ATOM 101 C LEU A 6 -3.240 -6.567 -0.150 1.00 0.00 C ATOM 102 O LEU A 6 -2.136 -6.077 0.079 1.00 0.00 O ATOM 103 CB LEU A 6 -3.184 -7.883 -2.325 1.00 0.00 C ATOM 104 CG LEU A 6 -1.772 -7.489 -2.791 1.00 0.00 C ATOM 105 CD1 LEU A 6 -0.719 -8.380 -2.115 1.00 0.00 C ATOM 106 CD2 LEU A 6 -1.691 -7.600 -4.321 1.00 0.00 C ATOM 0 H LEU A 6 -5.241 -8.662 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.538 -8.559 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.438 -8.853 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.899 -7.163 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.568 -6.458 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.275 -8.090 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.782 -8.261 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.902 -9.422 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.691 -7.321 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.901 -8.626 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.423 -6.932 -4.774 1.00 0.00 H new ATOM 118 N CYS A 7 -4.393 -5.954 0.153 1.00 0.00 N ATOM 119 CA CYS A 7 -4.506 -4.649 0.802 1.00 0.00 C ATOM 120 C CYS A 7 -4.463 -4.787 2.336 1.00 0.00 C ATOM 121 O CYS A 7 -4.370 -3.775 3.031 1.00 0.00 O ATOM 122 CB CYS A 7 -5.837 -3.992 0.402 1.00 0.00 C ATOM 123 SG CYS A 7 -6.019 -3.466 -1.324 1.00 0.00 S ATOM 0 H CYS A 7 -5.300 -6.371 -0.056 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.665 -4.035 0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.640 -4.693 0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.987 -3.120 1.038 1.00 0.00 H new ATOM 128 N ILE A 8 -4.528 -6.022 2.863 1.00 0.00 N ATOM 129 CA ILE A 8 -4.540 -6.322 4.294 1.00 0.00 C ATOM 130 C ILE A 8 -3.120 -6.572 4.837 1.00 0.00 C ATOM 131 O ILE A 8 -2.929 -6.539 6.052 1.00 0.00 O ATOM 132 CB ILE A 8 -5.505 -7.517 4.544 1.00 0.00 C ATOM 133 CG1 ILE A 8 -6.916 -7.165 4.006 1.00 0.00 C ATOM 134 CG2 ILE A 8 -5.598 -7.889 6.038 1.00 0.00 C ATOM 135 CD1 ILE A 8 -7.979 -8.246 4.247 1.00 0.00 C ATOM 0 H ILE A 8 -4.575 -6.859 2.283 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.909 -5.459 4.848 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.103 -8.381 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.248 -6.237 4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.845 -6.976 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.283 -8.728 6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.611 -8.169 6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.966 -7.033 6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.934 -7.915 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.675 -9.171 3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.084 -8.421 5.318 1.00 0.00 H new ATOM 147 N LEU A 9 -2.109 -6.767 3.971 1.00 0.00 N ATOM 148 CA LEU A 9 -0.734 -7.037 4.391 1.00 0.00 C ATOM 149 C LEU A 9 0.040 -5.775 4.817 1.00 0.00 C ATOM 150 O LEU A 9 1.221 -5.895 5.143 1.00 0.00 O ATOM 151 CB LEU A 9 0.005 -7.745 3.236 1.00 0.00 C ATOM 152 CG LEU A 9 -0.743 -8.959 2.643 1.00 0.00 C ATOM 153 CD1 LEU A 9 0.113 -9.607 1.547 1.00 0.00 C ATOM 154 CD2 LEU A 9 -1.101 -10.007 3.709 1.00 0.00 C ATOM 0 H LEU A 9 -2.230 -6.740 2.959 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.782 -7.672 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.186 -7.022 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.980 -8.075 3.594 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.679 -8.591 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.417 -10.463 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.305 -8.880 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.060 -9.939 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.625 -10.839 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.189 -10.373 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.743 -9.553 4.464 1.00 0.00 H new ATOM 166 N HIS A 10 -0.597 -4.588 4.830 1.00 0.00 N ATOM 167 CA HIS A 10 0.011 -3.294 5.170 1.00 0.00 C ATOM 168 C HIS A 10 1.174 -2.996 4.203 1.00 0.00 C ATOM 169 O HIS A 10 1.404 -3.754 3.261 1.00 0.00 O ATOM 170 CB HIS A 10 0.436 -3.246 6.651 1.00 0.00 C ATOM 171 CG HIS A 10 -0.737 -3.283 7.601 1.00 0.00 C ATOM 172 ND1 HIS A 10 -1.299 -2.110 8.106 1.00 0.00 N ATOM 173 CD2 HIS A 10 -1.426 -4.356 8.104 1.00 0.00 C ATOM 174 CE1 HIS A 10 -2.292 -2.520 8.898 1.00 0.00 C ATOM 175 NE2 HIS A 10 -2.418 -3.857 8.922 1.00 0.00 N ATOM 0 H HIS A 10 -1.586 -4.505 4.595 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.731 -2.505 5.047 1.00 0.00 H new ATOM 0 HB2 HIS A 10 1.095 -4.088 6.862 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.013 -2.338 6.829 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.229 -5.398 7.898 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.926 -1.849 9.459 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -3.110 -4.396 9.442 1.00 0.00 H new ATOM 183 N ARG A 11 1.914 -1.893 4.394 1.00 0.00 N ATOM 184 CA ARG A 11 3.027 -1.536 3.538 1.00 0.00 C ATOM 185 C ARG A 11 4.100 -2.635 3.548 1.00 0.00 C ATOM 186 O ARG A 11 4.375 -3.227 4.593 1.00 0.00 O ATOM 187 CB ARG A 11 3.573 -0.177 3.982 1.00 0.00 C ATOM 188 CG ARG A 11 4.520 -0.119 5.183 1.00 0.00 C ATOM 189 CD ARG A 11 3.815 -0.499 6.492 1.00 0.00 C ATOM 190 NE ARG A 11 4.668 -0.241 7.660 1.00 0.00 N ATOM 191 CZ ARG A 11 4.270 -0.313 8.944 1.00 0.00 C ATOM 192 NH1 ARG A 11 3.009 -0.644 9.265 1.00 0.00 N ATOM 193 NH2 ARG A 11 5.149 -0.047 9.920 1.00 0.00 N ATOM 0 H ARG A 11 1.747 -1.230 5.151 1.00 0.00 H new ATOM 0 HA ARG A 11 2.693 -1.450 2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.092 0.264 3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.720 0.465 4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.360 -0.793 5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.931 0.887 5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.889 0.068 6.585 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.542 -1.554 6.466 1.00 0.00 H new ATOM 0 HE ARG A 11 5.640 0.013 7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.332 -0.847 8.530 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.728 -0.693 10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.109 0.207 9.687 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.858 -0.099 10.896 1.00 0.00 H new ATOM 207 N ASN A 12 4.688 -2.914 2.376 1.00 0.00 N ATOM 208 CA ASN A 12 5.709 -3.944 2.197 1.00 0.00 C ATOM 209 C ASN A 12 6.901 -3.370 1.409 1.00 0.00 C ATOM 210 O ASN A 12 7.107 -3.729 0.249 1.00 0.00 O ATOM 211 CB ASN A 12 5.078 -5.188 1.535 1.00 0.00 C ATOM 212 CG ASN A 12 3.683 -5.554 2.058 1.00 0.00 C ATOM 213 OD1 ASN A 12 2.687 -5.395 1.355 1.00 0.00 O ATOM 214 ND2 ASN A 12 3.607 -6.048 3.296 1.00 0.00 N ATOM 0 H ASN A 12 4.460 -2.419 1.514 1.00 0.00 H new ATOM 0 HA ASN A 12 6.102 -4.265 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.015 -5.018 0.460 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.742 -6.039 1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.701 -6.307 3.687 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.455 -6.166 3.851 1.00 0.00 H new ATOM 221 N PRO A 13 7.708 -2.489 2.033 1.00 0.00 N ATOM 222 CA PRO A 13 8.862 -1.843 1.417 1.00 0.00 C ATOM 223 C PRO A 13 10.024 -2.793 1.128 1.00 0.00 C ATOM 224 O PRO A 13 10.536 -2.854 0.010 1.00 0.00 O ATOM 225 CB PRO A 13 9.263 -0.717 2.382 1.00 0.00 C ATOM 226 CG PRO A 13 8.765 -1.192 3.744 1.00 0.00 C ATOM 227 CD PRO A 13 7.480 -1.921 3.353 1.00 0.00 C ATOM 0 HA PRO A 13 8.598 -1.463 0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.342 -0.561 2.385 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.805 0.231 2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.479 -1.852 4.236 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.576 -0.362 4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.243 -2.702 4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.634 -1.234 3.338 1.00 0.00 H new ATOM 235 N GLY A 14 10.417 -3.517 2.172 1.00 0.00 N ATOM 236 CA GLY A 14 11.510 -4.479 2.201 1.00 0.00 C ATOM 237 C GLY A 14 12.852 -3.805 2.520 1.00 0.00 C ATOM 238 O GLY A 14 12.935 -2.584 2.626 1.00 0.00 O ATOM 0 H GLY A 14 9.950 -3.441 3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.301 -5.245 2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.576 -4.984 1.237 1.00 0.00 H new ATOM 242 N ARG A 15 13.901 -4.609 2.734 1.00 0.00 N ATOM 243 CA ARG A 15 15.257 -4.138 3.020 1.00 0.00 C ATOM 244 C ARG A 15 16.006 -3.999 1.685 1.00 0.00 C ATOM 245 O ARG A 15 16.697 -4.941 1.294 1.00 0.00 O ATOM 246 CB ARG A 15 15.953 -5.117 3.986 1.00 0.00 C ATOM 247 CG ARG A 15 15.277 -5.137 5.368 1.00 0.00 C ATOM 248 CD ARG A 15 16.000 -6.069 6.351 1.00 0.00 C ATOM 249 NE ARG A 15 15.909 -7.479 5.938 1.00 0.00 N ATOM 250 CZ ARG A 15 16.468 -8.520 6.582 1.00 0.00 C ATOM 251 NH1 ARG A 15 17.197 -8.342 7.696 1.00 0.00 N ATOM 252 NH2 ARG A 15 16.294 -9.760 6.102 1.00 0.00 N ATOM 0 H ARG A 15 13.826 -5.626 2.712 1.00 0.00 H new ATOM 0 HA ARG A 15 15.243 -3.165 3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.938 -6.120 3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 15 17.000 -4.834 4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 15 15.256 -4.126 5.776 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.241 -5.458 5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 15 17.048 -5.779 6.423 1.00 0.00 H new ATOM 0 HD3 ARG A 15 15.569 -5.953 7.345 1.00 0.00 H new ATOM 0 HE ARG A 15 15.377 -7.684 5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 15 17.336 -7.403 8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 15 17.612 -9.146 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.742 -9.907 5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 15 16.713 -10.556 6.582 1.00 0.00 H new ATOM 266 N CYS A 16 15.886 -2.855 0.979 1.00 0.00 N ATOM 267 CA CYS A 16 16.561 -2.688 -0.314 1.00 0.00 C ATOM 268 C CYS A 16 16.808 -1.220 -0.746 1.00 0.00 C ATOM 269 O CYS A 16 16.401 -0.806 -1.829 1.00 0.00 O ATOM 270 CB CYS A 16 15.787 -3.496 -1.377 1.00 0.00 C ATOM 271 SG CYS A 16 16.647 -3.836 -2.955 1.00 0.00 S ATOM 0 H CYS A 16 15.337 -2.050 1.280 1.00 0.00 H new ATOM 0 HA CYS A 16 17.573 -3.079 -0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.502 -4.451 -0.935 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.865 -2.961 -1.603 1.00 0.00 H new ATOM 276 N TYR A 17 17.490 -0.438 0.106 1.00 0.00 N ATOM 277 CA TYR A 17 17.977 0.937 -0.118 1.00 0.00 C ATOM 278 C TYR A 17 17.035 2.170 -0.118 1.00 0.00 C ATOM 279 O TYR A 17 17.596 3.254 -0.270 1.00 0.00 O ATOM 280 CB TYR A 17 18.819 0.957 -1.423 1.00 0.00 C ATOM 281 CG TYR A 17 19.737 -0.242 -1.647 1.00 0.00 C ATOM 282 CD1 TYR A 17 20.802 -0.491 -0.752 1.00 0.00 C ATOM 283 CD2 TYR A 17 19.511 -1.128 -2.726 1.00 0.00 C ATOM 284 CE1 TYR A 17 21.604 -1.643 -0.907 1.00 0.00 C ATOM 285 CE2 TYR A 17 20.307 -2.283 -2.876 1.00 0.00 C ATOM 286 CZ TYR A 17 21.351 -2.545 -1.963 1.00 0.00 C ATOM 287 OH TYR A 17 22.116 -3.668 -2.097 1.00 0.00 O ATOM 0 H TYR A 17 17.734 -0.772 1.038 1.00 0.00 H new ATOM 0 HA TYR A 17 18.513 1.106 0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 17 18.137 1.030 -2.270 1.00 0.00 H new ATOM 0 HB3 TYR A 17 19.428 1.861 -1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 17 21.003 0.201 0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 17 18.726 -0.920 -3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 17 22.412 -1.834 -0.217 1.00 0.00 H new ATOM 0 HE2 TYR A 17 20.117 -2.967 -3.690 1.00 0.00 H new ATOM 0 HH TYR A 17 21.810 -4.182 -2.873 1.00 0.00 H new ATOM 297 N GLN A 18 15.695 2.097 0.034 1.00 0.00 N ATOM 298 CA GLN A 18 14.787 3.278 0.047 1.00 0.00 C ATOM 299 C GLN A 18 14.703 3.926 -1.356 1.00 0.00 C ATOM 300 O GLN A 18 15.688 4.544 -1.763 1.00 0.00 O ATOM 301 CB GLN A 18 15.240 4.292 1.130 1.00 0.00 C ATOM 302 CG GLN A 18 14.228 5.415 1.405 1.00 0.00 C ATOM 303 CD GLN A 18 14.177 6.475 0.296 1.00 0.00 C ATOM 304 OE1 GLN A 18 15.102 7.273 0.161 1.00 0.00 O ATOM 305 NE2 GLN A 18 13.104 6.495 -0.501 1.00 0.00 N ATOM 0 H GLN A 18 15.203 1.211 0.153 1.00 0.00 H new ATOM 0 HA GLN A 18 13.781 2.946 0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 18 15.430 3.754 2.059 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.185 4.738 0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.236 4.979 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.481 5.899 2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.353 5.819 -0.363 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.036 7.187 -1.248 1.00 0.00 H new ATOM 314 N LYS A 19 13.564 3.856 -2.094 1.00 0.00 N ATOM 315 CA LYS A 19 13.521 4.447 -3.440 1.00 0.00 C ATOM 316 C LYS A 19 12.180 4.798 -4.122 1.00 0.00 C ATOM 317 O LYS A 19 12.227 5.557 -5.091 1.00 0.00 O ATOM 318 CB LYS A 19 14.279 3.461 -4.347 1.00 0.00 C ATOM 319 CG LYS A 19 14.704 3.975 -5.726 1.00 0.00 C ATOM 320 CD LYS A 19 15.593 5.222 -5.617 1.00 0.00 C ATOM 321 CE LYS A 19 16.264 5.534 -6.960 1.00 0.00 C ATOM 322 NZ LYS A 19 17.108 6.738 -6.878 1.00 0.00 N ATOM 0 H LYS A 19 12.698 3.412 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 19 13.944 5.442 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 19 15.173 3.131 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.651 2.582 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 19 15.242 3.190 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.818 4.210 -6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.993 6.075 -5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.355 5.065 -4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.871 4.684 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.500 5.676 -7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.546 6.919 -7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.523 7.554 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.852 6.593 -6.166 1.00 0.00 H new ATOM 336 N ILE A 20 11.010 4.310 -3.687 1.00 0.00 N ATOM 337 CA ILE A 20 9.733 4.613 -4.383 1.00 0.00 C ATOM 338 C ILE A 20 8.653 5.022 -3.372 1.00 0.00 C ATOM 339 O ILE A 20 7.733 4.246 -3.114 1.00 0.00 O ATOM 340 CB ILE A 20 9.262 3.409 -5.266 1.00 0.00 C ATOM 341 CG1 ILE A 20 10.290 2.922 -6.312 1.00 0.00 C ATOM 342 CG2 ILE A 20 7.948 3.690 -6.026 1.00 0.00 C ATOM 343 CD1 ILE A 20 10.439 3.754 -7.585 1.00 0.00 C ATOM 0 H ILE A 20 10.912 3.710 -2.868 1.00 0.00 H new ATOM 0 HA ILE A 20 9.906 5.455 -5.054 1.00 0.00 H new ATOM 0 HB ILE A 20 9.121 2.626 -4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.265 2.868 -5.828 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.022 1.906 -6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.677 2.817 -6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.153 3.905 -5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.085 4.547 -6.685 1.00 0.00 H new ATOM 0 HD11 ILE A 20 11.192 3.300 -8.230 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.485 3.790 -8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.747 4.766 -7.324 1.00 0.00 H new ATOM 355 N PRO A 21 8.696 6.238 -2.796 1.00 0.00 N ATOM 356 CA PRO A 21 7.670 6.638 -1.855 1.00 0.00 C ATOM 357 C PRO A 21 6.290 6.653 -2.502 1.00 0.00 C ATOM 358 O PRO A 21 6.092 7.173 -3.600 1.00 0.00 O ATOM 359 CB PRO A 21 8.060 7.974 -1.263 1.00 0.00 C ATOM 360 CG PRO A 21 9.176 8.485 -2.185 1.00 0.00 C ATOM 361 CD PRO A 21 9.752 7.232 -2.859 1.00 0.00 C ATOM 0 HA PRO A 21 7.598 5.909 -1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.215 8.662 -1.242 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.410 7.867 -0.236 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.786 9.185 -2.924 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.942 9.014 -1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 21 10.037 7.437 -3.891 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.648 6.886 -2.344 1.00 0.00 H new ATOM 369 N ALA A 22 5.359 6.040 -1.770 1.00 0.00 N ATOM 370 CA ALA A 22 3.963 5.888 -2.191 1.00 0.00 C ATOM 371 C ALA A 22 3.022 5.853 -0.976 1.00 0.00 C ATOM 372 O ALA A 22 3.232 6.618 -0.036 1.00 0.00 O ATOM 373 CB ALA A 22 3.878 4.636 -3.085 1.00 0.00 C ATOM 0 H ALA A 22 5.554 5.630 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 22 3.629 6.746 -2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.849 4.494 -3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.524 4.764 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.201 3.762 -2.519 1.00 0.00 H new ATOM 379 N PHE A 23 1.969 5.016 -1.006 1.00 0.00 N ATOM 380 CA PHE A 23 0.983 4.857 0.066 1.00 0.00 C ATOM 381 C PHE A 23 0.585 3.371 0.229 1.00 0.00 C ATOM 382 O PHE A 23 0.783 2.544 -0.660 1.00 0.00 O ATOM 383 CB PHE A 23 -0.309 5.627 -0.253 1.00 0.00 C ATOM 384 CG PHE A 23 -0.177 7.117 -0.519 1.00 0.00 C ATOM 385 CD1 PHE A 23 0.337 7.585 -1.747 1.00 0.00 C ATOM 386 CD2 PHE A 23 -0.567 8.046 0.470 1.00 0.00 C ATOM 387 CE1 PHE A 23 0.596 8.961 -1.926 1.00 0.00 C ATOM 388 CE2 PHE A 23 -0.292 9.419 0.302 1.00 0.00 C ATOM 389 CZ PHE A 23 0.293 9.877 -0.896 1.00 0.00 C ATOM 0 H PHE A 23 1.779 4.413 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 23 1.446 5.240 0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.771 5.167 -1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.998 5.492 0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.532 6.890 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.078 7.704 1.358 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.026 9.313 -2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.529 10.118 1.090 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.509 10.927 -1.025 1.00 0.00 H new ATOM 399 N TYR A 24 -0.017 3.070 1.383 1.00 0.00 N ATOM 400 CA TYR A 24 -0.539 1.776 1.834 1.00 0.00 C ATOM 401 C TYR A 24 -1.837 1.984 2.623 1.00 0.00 C ATOM 402 O TYR A 24 -1.976 3.013 3.280 1.00 0.00 O ATOM 403 CB TYR A 24 0.489 1.062 2.728 1.00 0.00 C ATOM 404 CG TYR A 24 0.480 1.506 4.193 1.00 0.00 C ATOM 405 CD1 TYR A 24 0.960 2.784 4.554 1.00 0.00 C ATOM 406 CD2 TYR A 24 -0.039 0.654 5.194 1.00 0.00 C ATOM 407 CE1 TYR A 24 1.016 3.167 5.909 1.00 0.00 C ATOM 408 CE2 TYR A 24 -0.003 1.042 6.549 1.00 0.00 C ATOM 409 CZ TYR A 24 0.540 2.293 6.910 1.00 0.00 C ATOM 410 OH TYR A 24 0.602 2.654 8.225 1.00 0.00 O ATOM 0 H TYR A 24 -0.165 3.791 2.089 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.737 1.160 0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.303 -0.011 2.687 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.485 1.229 2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.286 3.472 3.788 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.466 -0.299 4.920 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.423 4.129 6.182 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.391 0.382 7.310 1.00 0.00 H new ATOM 0 HH TYR A 24 0.532 3.629 8.300 1.00 0.00 H new ATOM 420 N TYR A 25 -2.716 0.972 2.689 1.00 0.00 N ATOM 421 CA TYR A 25 -3.991 1.092 3.407 1.00 0.00 C ATOM 422 C TYR A 25 -3.725 0.946 4.912 1.00 0.00 C ATOM 423 O TYR A 25 -3.316 -0.126 5.362 1.00 0.00 O ATOM 424 CB TYR A 25 -4.973 0.012 2.901 1.00 0.00 C ATOM 425 CG TYR A 25 -6.291 -0.156 3.659 1.00 0.00 C ATOM 426 CD1 TYR A 25 -6.830 0.884 4.455 1.00 0.00 C ATOM 427 CD2 TYR A 25 -6.996 -1.379 3.561 1.00 0.00 C ATOM 428 CE1 TYR A 25 -7.994 0.665 5.221 1.00 0.00 C ATOM 429 CE2 TYR A 25 -8.209 -1.567 4.256 1.00 0.00 C ATOM 430 CZ TYR A 25 -8.684 -0.562 5.125 1.00 0.00 C ATOM 431 OH TYR A 25 -9.813 -0.768 5.866 1.00 0.00 O ATOM 0 H TYR A 25 -2.566 0.062 2.253 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.443 2.067 3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.210 0.234 1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.454 -0.946 2.913 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.347 1.850 4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.602 -2.176 2.948 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.358 1.438 5.882 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.773 -2.478 4.123 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.166 -1.663 5.682 1.00 0.00 H new ATOM 441 N ASN A 26 -3.950 2.030 5.685 1.00 0.00 N ATOM 442 CA ASN A 26 -3.745 2.055 7.121 1.00 0.00 C ATOM 443 C ASN A 26 -4.994 1.466 7.777 1.00 0.00 C ATOM 444 O ASN A 26 -6.015 2.150 7.865 1.00 0.00 O ATOM 445 CB ASN A 26 -3.506 3.513 7.557 1.00 0.00 C ATOM 446 CG ASN A 26 -3.120 3.665 9.031 1.00 0.00 C ATOM 447 OD1 ASN A 26 -3.718 4.462 9.749 1.00 0.00 O ATOM 448 ND2 ASN A 26 -2.109 2.923 9.491 1.00 0.00 N ATOM 0 H ASN A 26 -4.284 2.917 5.309 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.877 1.467 7.421 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.717 3.942 6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.410 4.092 7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.814 3.010 10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.632 2.270 8.870 1.00 0.00 H new ATOM 455 N GLN A 27 -4.918 0.204 8.231 1.00 0.00 N ATOM 456 CA GLN A 27 -6.042 -0.479 8.873 1.00 0.00 C ATOM 457 C GLN A 27 -6.090 -0.161 10.377 1.00 0.00 C ATOM 458 O GLN A 27 -6.183 -1.043 11.230 1.00 0.00 O ATOM 459 CB GLN A 27 -5.968 -1.993 8.614 1.00 0.00 C ATOM 460 CG GLN A 27 -5.792 -2.326 7.127 1.00 0.00 C ATOM 461 CD GLN A 27 -5.896 -3.832 6.904 1.00 0.00 C ATOM 462 OE1 GLN A 27 -4.958 -4.567 7.204 1.00 0.00 O ATOM 463 NE2 GLN A 27 -7.043 -4.296 6.401 1.00 0.00 N ATOM 0 H GLN A 27 -4.075 -0.366 8.161 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.970 -0.111 8.435 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.136 -2.415 9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.877 -2.467 8.984 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.553 -1.811 6.540 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.824 -1.966 6.779 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.796 -3.649 6.166 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.166 -5.297 6.252 1.00 0.00 H new ATOM 472 N LYS A 28 -6.024 1.139 10.663 1.00 0.00 N ATOM 473 CA LYS A 28 -6.085 1.820 11.956 1.00 0.00 C ATOM 474 C LYS A 28 -7.054 2.996 11.777 1.00 0.00 C ATOM 475 O LYS A 28 -7.859 3.323 12.648 1.00 0.00 O ATOM 476 CB LYS A 28 -4.677 2.241 12.409 1.00 0.00 C ATOM 477 CG LYS A 28 -4.689 2.916 13.788 1.00 0.00 C ATOM 478 CD LYS A 28 -3.261 3.264 14.232 1.00 0.00 C ATOM 479 CE LYS A 28 -3.267 3.943 15.608 1.00 0.00 C ATOM 480 NZ LYS A 28 -1.903 4.268 16.059 1.00 0.00 N ATOM 0 H LYS A 28 -5.914 1.817 9.909 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.452 1.172 12.752 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.030 1.364 12.441 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.250 2.925 11.675 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.295 3.821 13.750 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.152 2.253 14.519 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.657 2.358 14.272 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.798 3.924 13.498 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.862 4.855 15.562 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.745 3.287 16.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.946 4.726 16.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.342 3.395 16.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.456 4.914 15.377 1.00 0.00 H new ATOM 494 N LYS A 29 -6.949 3.588 10.588 1.00 0.00 N ATOM 495 CA LYS A 29 -7.680 4.651 9.977 1.00 0.00 C ATOM 496 C LYS A 29 -8.743 3.963 9.137 1.00 0.00 C ATOM 497 O LYS A 29 -9.498 3.118 9.625 1.00 0.00 O ATOM 498 CB LYS A 29 -6.647 5.507 9.237 1.00 0.00 C ATOM 499 CG LYS A 29 -7.178 6.831 8.665 1.00 0.00 C ATOM 500 CD LYS A 29 -6.025 7.516 7.934 1.00 0.00 C ATOM 501 CE LYS A 29 -6.458 8.866 7.357 1.00 0.00 C ATOM 502 NZ LYS A 29 -5.388 9.483 6.555 1.00 0.00 N ATOM 0 H LYS A 29 -6.226 3.263 9.946 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.207 5.342 10.635 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.827 5.729 9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.231 4.918 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.008 6.647 7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.557 7.468 9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.191 7.662 8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.667 6.872 7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.345 8.730 6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.737 9.537 8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.717 10.396 6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.551 9.636 7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.140 8.854 5.765 1.00 0.00 H new ATOM 516 N LYS A 30 -8.784 4.340 7.870 1.00 0.00 N ATOM 517 CA LYS A 30 -9.766 3.934 6.890 1.00 0.00 C ATOM 518 C LYS A 30 -9.357 4.416 5.475 1.00 0.00 C ATOM 519 O LYS A 30 -10.222 4.528 4.605 1.00 0.00 O ATOM 520 CB LYS A 30 -11.123 4.586 7.297 1.00 0.00 C ATOM 521 CG LYS A 30 -11.167 5.579 8.465 1.00 0.00 C ATOM 522 CD LYS A 30 -12.587 6.111 8.714 1.00 0.00 C ATOM 523 CE LYS A 30 -12.609 7.068 9.913 1.00 0.00 C ATOM 524 NZ LYS A 30 -13.967 7.575 10.176 1.00 0.00 N ATOM 0 H LYS A 30 -8.089 4.976 7.479 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.845 2.847 6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.515 5.099 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.816 3.778 7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.798 5.093 9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.498 6.414 8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.948 6.627 7.824 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.266 5.278 8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.234 6.553 10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.937 7.905 9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.945 8.219 10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.314 8.088 9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.602 6.777 10.381 1.00 0.00 H new ATOM 538 N GLN A 31 -8.065 4.686 5.212 1.00 0.00 N ATOM 539 CA GLN A 31 -7.602 5.233 3.940 1.00 0.00 C ATOM 540 C GLN A 31 -6.112 4.935 3.768 1.00 0.00 C ATOM 541 O GLN A 31 -5.454 4.437 4.686 1.00 0.00 O ATOM 542 CB GLN A 31 -7.908 6.751 3.963 1.00 0.00 C ATOM 543 CG GLN A 31 -7.452 7.558 2.735 1.00 0.00 C ATOM 544 CD GLN A 31 -8.048 8.968 2.719 1.00 0.00 C ATOM 545 OE1 GLN A 31 -8.803 9.318 1.814 1.00 0.00 O ATOM 546 NE2 GLN A 31 -7.706 9.787 3.718 1.00 0.00 N ATOM 0 H GLN A 31 -7.315 4.527 5.885 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.109 4.780 3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.984 6.881 4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.439 7.181 4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.364 7.625 2.729 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.744 7.031 1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.077 9.461 4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.074 10.738 3.747 1.00 0.00 H new ATOM 555 N CYS A 32 -5.569 5.251 2.585 1.00 0.00 N ATOM 556 CA CYS A 32 -4.184 5.012 2.276 1.00 0.00 C ATOM 557 C CYS A 32 -3.312 6.098 2.882 1.00 0.00 C ATOM 558 O CYS A 32 -3.384 7.259 2.480 1.00 0.00 O ATOM 559 CB CYS A 32 -3.976 4.965 0.762 1.00 0.00 C ATOM 560 SG CYS A 32 -2.929 3.662 0.070 1.00 0.00 S ATOM 0 H CYS A 32 -6.094 5.681 1.823 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.899 4.050 2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.958 4.883 0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.557 5.924 0.456 1.00 0.00 H new ATOM 565 N GLU A 33 -2.527 5.710 3.887 1.00 0.00 N ATOM 566 CA GLU A 33 -1.553 6.582 4.507 1.00 0.00 C ATOM 567 C GLU A 33 -0.322 6.400 3.645 1.00 0.00 C ATOM 568 O GLU A 33 -0.167 5.427 2.914 1.00 0.00 O ATOM 569 CB GLU A 33 -1.287 6.174 5.947 1.00 0.00 C ATOM 570 CG GLU A 33 -0.131 6.797 6.718 1.00 0.00 C ATOM 571 CD GLU A 33 -0.239 8.319 6.839 1.00 0.00 C ATOM 572 OE1 GLU A 33 -1.161 8.771 7.554 1.00 0.00 O ATOM 573 OE2 GLU A 33 0.599 9.006 6.215 1.00 0.00 O ATOM 0 H GLU A 33 -2.556 4.774 4.290 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.883 7.620 4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.197 6.373 6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.136 5.095 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.092 6.361 7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.806 6.544 6.223 1.00 0.00 H new ATOM 580 N GLY A 34 0.583 7.343 3.767 1.00 0.00 N ATOM 581 CA GLY A 34 1.798 7.301 2.956 1.00 0.00 C ATOM 582 C GLY A 34 2.890 6.429 3.562 1.00 0.00 C ATOM 583 O GLY A 34 2.956 6.299 4.786 1.00 0.00 O ATOM 0 H GLY A 34 0.513 8.137 4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.552 6.927 1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.179 8.314 2.830 1.00 0.00 H new ATOM 587 N PHE A 35 3.744 5.828 2.716 1.00 0.00 N ATOM 588 CA PHE A 35 4.820 4.982 3.228 1.00 0.00 C ATOM 589 C PHE A 35 6.005 5.162 2.246 1.00 0.00 C ATOM 590 O PHE A 35 5.844 5.744 1.166 1.00 0.00 O ATOM 591 CB PHE A 35 4.406 3.492 3.230 1.00 0.00 C ATOM 592 CG PHE A 35 4.591 2.658 1.977 1.00 0.00 C ATOM 593 CD1 PHE A 35 3.768 2.784 0.850 1.00 0.00 C ATOM 594 CD2 PHE A 35 5.659 1.730 1.960 1.00 0.00 C ATOM 595 CE1 PHE A 35 3.912 1.888 -0.229 1.00 0.00 C ATOM 596 CE2 PHE A 35 5.779 0.804 0.907 1.00 0.00 C ATOM 597 CZ PHE A 35 4.898 0.879 -0.191 1.00 0.00 C ATOM 0 H PHE A 35 3.708 5.912 1.700 1.00 0.00 H new ATOM 0 HA PHE A 35 5.069 5.262 4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.958 3.002 4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.350 3.448 3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.025 3.566 0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.386 1.732 2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.264 1.974 -1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.542 0.040 0.940 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.977 0.167 -1.000 1.00 0.00 H new ATOM 607 N THR A 36 7.186 4.616 2.581 1.00 0.00 N ATOM 608 CA THR A 36 8.368 4.702 1.721 1.00 0.00 C ATOM 609 C THR A 36 8.833 3.296 1.323 1.00 0.00 C ATOM 610 O THR A 36 9.294 2.542 2.178 1.00 0.00 O ATOM 611 CB THR A 36 9.492 5.511 2.390 1.00 0.00 C ATOM 612 OG1 THR A 36 9.010 6.779 2.796 1.00 0.00 O ATOM 613 CG2 THR A 36 10.628 5.719 1.375 1.00 0.00 C ATOM 0 H THR A 36 7.343 4.107 3.451 1.00 0.00 H new ATOM 0 HA THR A 36 8.097 5.238 0.811 1.00 0.00 H new ATOM 0 HB THR A 36 9.851 4.966 3.263 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.734 7.283 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.431 6.292 1.839 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.012 4.750 1.055 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.248 6.262 0.510 1.00 0.00 H new ATOM 621 N TRP A 37 8.732 2.964 0.023 1.00 0.00 N ATOM 622 CA TRP A 37 9.147 1.674 -0.551 1.00 0.00 C ATOM 623 C TRP A 37 10.682 1.628 -0.646 1.00 0.00 C ATOM 624 O TRP A 37 11.310 2.688 -0.676 1.00 0.00 O ATOM 625 CB TRP A 37 8.492 1.558 -1.922 1.00 0.00 C ATOM 626 CG TRP A 37 8.700 0.358 -2.790 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.852 -0.686 -2.926 1.00 0.00 C ATOM 628 CD2 TRP A 37 9.772 0.128 -3.749 1.00 0.00 C ATOM 629 NE1 TRP A 37 8.223 -1.437 -4.023 1.00 0.00 N ATOM 630 CE2 TRP A 37 9.368 -0.933 -4.612 1.00 0.00 C ATOM 631 CE3 TRP A 37 10.979 0.797 -4.068 1.00 0.00 C ATOM 632 CZ2 TRP A 37 10.082 -1.244 -5.785 1.00 0.00 C ATOM 633 CZ3 TRP A 37 11.725 0.444 -5.212 1.00 0.00 C ATOM 634 CH2 TRP A 37 11.272 -0.562 -6.080 1.00 0.00 C ATOM 0 H TRP A 37 8.349 3.603 -0.674 1.00 0.00 H new ATOM 0 HA TRP A 37 8.836 0.835 0.071 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.417 1.655 -1.768 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.811 2.426 -2.500 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.015 -0.899 -2.278 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.718 -2.258 -4.356 1.00 0.00 H new ATOM 0 HE3 TRP A 37 11.334 1.589 -3.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.714 -2.006 -6.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.654 0.953 -5.422 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.835 -0.809 -6.968 1.00 0.00 H new ATOM 645 N SER A 38 11.294 0.429 -0.733 1.00 0.00 N ATOM 646 CA SER A 38 12.755 0.306 -0.778 1.00 0.00 C ATOM 647 C SER A 38 13.360 -0.064 -2.136 1.00 0.00 C ATOM 648 O SER A 38 14.015 0.788 -2.738 1.00 0.00 O ATOM 649 CB SER A 38 13.236 -0.631 0.331 1.00 0.00 C ATOM 650 OG SER A 38 12.872 -0.092 1.585 1.00 0.00 O ATOM 0 H SER A 38 10.797 -0.461 -0.773 1.00 0.00 H new ATOM 0 HA SER A 38 13.130 1.315 -0.607 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.795 -1.620 0.205 1.00 0.00 H new ATOM 0 HB3 SER A 38 14.317 -0.755 0.275 1.00 0.00 H new ATOM 0 HG SER A 38 12.819 -0.812 2.248 1.00 0.00 H new ATOM 656 N GLY A 39 13.190 -1.301 -2.628 1.00 0.00 N ATOM 657 CA GLY A 39 13.816 -1.679 -3.893 1.00 0.00 C ATOM 658 C GLY A 39 13.558 -3.094 -4.392 1.00 0.00 C ATOM 659 O GLY A 39 13.385 -3.283 -5.596 1.00 0.00 O ATOM 0 H GLY A 39 12.640 -2.034 -2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.479 -0.982 -4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.893 -1.546 -3.792 1.00 0.00 H new ATOM 663 N CYS A 40 13.539 -4.085 -3.489 1.00 0.00 N ATOM 664 CA CYS A 40 13.398 -5.482 -3.852 1.00 0.00 C ATOM 665 C CYS A 40 13.031 -6.347 -2.633 1.00 0.00 C ATOM 666 O CYS A 40 13.814 -7.202 -2.216 1.00 0.00 O ATOM 667 CB CYS A 40 14.756 -5.916 -4.462 1.00 0.00 C ATOM 668 SG CYS A 40 16.260 -5.811 -3.410 1.00 0.00 S ATOM 0 H CYS A 40 13.622 -3.928 -2.485 1.00 0.00 H new ATOM 0 HA CYS A 40 12.587 -5.616 -4.568 1.00 0.00 H new ATOM 0 HB2 CYS A 40 14.655 -6.949 -4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 40 14.930 -5.310 -5.351 1.00 0.00 H new ATOM 673 N GLY A 41 11.835 -6.153 -2.058 1.00 0.00 N ATOM 674 CA GLY A 41 11.400 -6.932 -0.903 1.00 0.00 C ATOM 675 C GLY A 41 9.950 -6.652 -0.500 1.00 0.00 C ATOM 676 O GLY A 41 9.373 -5.627 -0.868 1.00 0.00 O ATOM 0 H GLY A 41 11.156 -5.462 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.510 -7.993 -1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.054 -6.714 -0.059 1.00 0.00 H new ATOM 680 N GLY A 42 9.371 -7.587 0.268 1.00 0.00 N ATOM 681 CA GLY A 42 8.003 -7.528 0.766 1.00 0.00 C ATOM 682 C GLY A 42 6.961 -7.944 -0.285 1.00 0.00 C ATOM 683 O GLY A 42 7.295 -8.194 -1.444 1.00 0.00 O ATOM 0 H GLY A 42 9.864 -8.429 0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.911 -8.177 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.788 -6.513 1.101 1.00 0.00 H new ATOM 687 N ASN A 43 5.689 -8.019 0.140 1.00 0.00 N ATOM 688 CA ASN A 43 4.538 -8.389 -0.681 1.00 0.00 C ATOM 689 C ASN A 43 4.224 -7.278 -1.692 1.00 0.00 C ATOM 690 O ASN A 43 4.921 -7.159 -2.700 1.00 0.00 O ATOM 691 CB ASN A 43 3.344 -8.769 0.221 1.00 0.00 C ATOM 692 CG ASN A 43 3.685 -9.902 1.195 1.00 0.00 C ATOM 693 OD1 ASN A 43 3.907 -9.660 2.380 1.00 0.00 O ATOM 694 ND2 ASN A 43 3.727 -11.142 0.699 1.00 0.00 N ATOM 0 H ASN A 43 5.430 -7.814 1.105 1.00 0.00 H new ATOM 0 HA ASN A 43 4.769 -9.275 -1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.025 -7.893 0.785 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.503 -9.071 -0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.949 -11.928 1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.537 -11.302 -0.290 1.00 0.00 H new ATOM 701 N SER A 44 3.181 -6.480 -1.436 1.00 0.00 N ATOM 702 CA SER A 44 2.745 -5.398 -2.314 1.00 0.00 C ATOM 703 C SER A 44 2.175 -4.192 -1.538 1.00 0.00 C ATOM 704 O SER A 44 2.943 -3.446 -0.929 1.00 0.00 O ATOM 705 CB SER A 44 1.745 -5.973 -3.338 1.00 0.00 C ATOM 706 OG SER A 44 2.345 -6.926 -4.192 1.00 0.00 O ATOM 0 H SER A 44 2.609 -6.573 -0.597 1.00 0.00 H new ATOM 0 HA SER A 44 3.610 -4.998 -2.844 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.911 -6.435 -2.809 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.332 -5.161 -3.936 1.00 0.00 H new ATOM 0 HG SER A 44 1.677 -7.266 -4.823 1.00 0.00 H new ATOM 712 N ASN A 45 0.842 -3.997 -1.578 1.00 0.00 N ATOM 713 CA ASN A 45 0.065 -2.887 -1.000 1.00 0.00 C ATOM 714 C ASN A 45 0.702 -1.516 -1.309 1.00 0.00 C ATOM 715 O ASN A 45 0.655 -0.585 -0.506 1.00 0.00 O ATOM 716 CB ASN A 45 -0.236 -3.147 0.491 1.00 0.00 C ATOM 717 CG ASN A 45 -1.328 -2.241 1.086 1.00 0.00 C ATOM 718 OD1 ASN A 45 -1.989 -1.479 0.383 1.00 0.00 O ATOM 719 ND2 ASN A 45 -1.534 -2.329 2.402 1.00 0.00 N ATOM 0 H ASN A 45 0.235 -4.665 -2.053 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.909 -2.843 -1.488 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.538 -4.187 0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.682 -3.013 1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.253 -1.757 2.845 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.973 -2.969 2.964 1.00 0.00 H new ATOM 726 N ARG A 46 1.325 -1.435 -2.492 1.00 0.00 N ATOM 727 CA ARG A 46 1.998 -0.295 -3.079 1.00 0.00 C ATOM 728 C ARG A 46 0.979 0.474 -3.928 1.00 0.00 C ATOM 729 O ARG A 46 0.662 0.037 -5.036 1.00 0.00 O ATOM 730 CB ARG A 46 3.181 -0.837 -3.897 1.00 0.00 C ATOM 731 CG ARG A 46 4.261 0.202 -4.264 1.00 0.00 C ATOM 732 CD ARG A 46 3.780 1.478 -4.973 1.00 0.00 C ATOM 733 NE ARG A 46 3.084 1.194 -6.237 1.00 0.00 N ATOM 734 CZ ARG A 46 3.660 0.976 -7.433 1.00 0.00 C ATOM 735 NH1 ARG A 46 4.995 0.977 -7.581 1.00 0.00 N ATOM 736 NH2 ARG A 46 2.882 0.752 -8.501 1.00 0.00 N ATOM 0 H ARG A 46 1.368 -2.246 -3.109 1.00 0.00 H new ATOM 0 HA ARG A 46 2.390 0.401 -2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.652 -1.643 -3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.795 -1.275 -4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.776 0.495 -3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.998 -0.285 -4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.112 2.028 -4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.635 2.124 -5.171 1.00 0.00 H new ATOM 0 HE ARG A 46 2.065 1.159 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.597 1.146 -6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.406 0.809 -8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.867 0.748 -8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.305 0.585 -9.414 1.00 0.00 H new ATOM 750 N PHE A 47 0.466 1.608 -3.435 1.00 0.00 N ATOM 751 CA PHE A 47 -0.504 2.435 -4.109 1.00 0.00 C ATOM 752 C PHE A 47 0.041 3.860 -4.210 1.00 0.00 C ATOM 753 O PHE A 47 0.311 4.494 -3.196 1.00 0.00 O ATOM 754 CB PHE A 47 -1.790 2.328 -3.298 1.00 0.00 C ATOM 755 CG PHE A 47 -2.554 1.046 -3.596 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.272 0.911 -4.807 1.00 0.00 C ATOM 757 CD2 PHE A 47 -2.501 -0.038 -2.691 1.00 0.00 C ATOM 758 CE1 PHE A 47 -3.966 -0.285 -5.091 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.167 -1.245 -2.991 1.00 0.00 C ATOM 760 CZ PHE A 47 -3.914 -1.363 -4.182 1.00 0.00 C ATOM 0 H PHE A 47 0.734 1.975 -2.522 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.707 2.119 -5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.551 2.368 -2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.426 3.186 -3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.289 1.725 -5.516 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.949 0.058 -1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.537 -0.375 -6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.105 -2.079 -2.308 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.446 -2.278 -4.398 1.00 0.00 H new ATOM 770 N LYS A 48 0.202 4.351 -5.446 1.00 0.00 N ATOM 771 CA LYS A 48 0.712 5.654 -5.818 1.00 0.00 C ATOM 772 C LYS A 48 -0.214 6.796 -5.405 1.00 0.00 C ATOM 773 O LYS A 48 0.254 7.792 -4.858 1.00 0.00 O ATOM 774 CB LYS A 48 0.878 5.612 -7.336 1.00 0.00 C ATOM 775 CG LYS A 48 1.977 4.604 -7.701 1.00 0.00 C ATOM 776 CD LYS A 48 2.280 4.607 -9.195 1.00 0.00 C ATOM 777 CE LYS A 48 1.101 4.213 -10.100 1.00 0.00 C ATOM 778 NZ LYS A 48 0.564 2.880 -9.775 1.00 0.00 N ATOM 0 H LYS A 48 -0.043 3.796 -6.266 1.00 0.00 H new ATOM 0 HA LYS A 48 1.652 5.853 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.063 5.328 -7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.137 6.602 -7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.885 4.841 -7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.668 3.604 -7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.619 5.603 -9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.107 3.923 -9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.308 4.955 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.425 4.227 -11.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.228 2.660 -10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.311 2.166 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.229 2.871 -8.790 1.00 0.00 H new ATOM 792 N THR A 49 -1.510 6.667 -5.713 1.00 0.00 N ATOM 793 CA THR A 49 -2.544 7.647 -5.378 1.00 0.00 C ATOM 794 C THR A 49 -3.503 7.019 -4.351 1.00 0.00 C ATOM 795 O THR A 49 -3.761 5.815 -4.368 1.00 0.00 O ATOM 796 CB THR A 49 -3.252 8.171 -6.653 1.00 0.00 C ATOM 797 OG1 THR A 49 -3.261 7.212 -7.692 1.00 0.00 O ATOM 798 CG2 THR A 49 -2.540 9.422 -7.189 1.00 0.00 C ATOM 0 H THR A 49 -1.875 5.857 -6.214 1.00 0.00 H new ATOM 0 HA THR A 49 -2.098 8.530 -4.919 1.00 0.00 H new ATOM 0 HB THR A 49 -4.277 8.397 -6.360 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.088 7.299 -8.210 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.051 9.776 -8.084 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.556 10.203 -6.429 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.507 9.176 -7.434 1.00 0.00 H new ATOM 806 N ILE A 50 -4.014 7.859 -3.438 1.00 0.00 N ATOM 807 CA ILE A 50 -4.921 7.493 -2.349 1.00 0.00 C ATOM 808 C ILE A 50 -6.286 6.999 -2.840 1.00 0.00 C ATOM 809 O ILE A 50 -6.910 6.154 -2.199 1.00 0.00 O ATOM 810 CB ILE A 50 -5.080 8.702 -1.387 1.00 0.00 C ATOM 811 CG1 ILE A 50 -3.713 9.111 -0.791 1.00 0.00 C ATOM 812 CG2 ILE A 50 -6.063 8.379 -0.244 1.00 0.00 C ATOM 813 CD1 ILE A 50 -3.784 10.377 0.076 1.00 0.00 C ATOM 0 H ILE A 50 -3.794 8.855 -3.442 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.476 6.651 -1.818 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.480 9.532 -1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.325 8.288 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.004 9.274 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.154 9.244 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.040 8.137 -0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.691 7.528 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.792 10.609 0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.142 11.211 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.468 10.210 0.908 1.00 0.00 H new ATOM 825 N GLU A 51 -6.738 7.506 -3.987 1.00 0.00 N ATOM 826 CA GLU A 51 -8.027 7.156 -4.575 1.00 0.00 C ATOM 827 C GLU A 51 -7.941 5.737 -5.086 1.00 0.00 C ATOM 828 O GLU A 51 -8.740 4.882 -4.736 1.00 0.00 O ATOM 829 CB GLU A 51 -8.394 8.154 -5.683 1.00 0.00 C ATOM 830 CG GLU A 51 -8.384 9.597 -5.158 1.00 0.00 C ATOM 831 CD GLU A 51 -9.092 10.553 -6.119 1.00 0.00 C ATOM 832 OE1 GLU A 51 -8.458 10.915 -7.134 1.00 0.00 O ATOM 833 OE2 GLU A 51 -10.259 10.899 -5.830 1.00 0.00 O ATOM 0 H GLU A 51 -6.210 8.181 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.821 7.212 -3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.689 8.060 -6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.381 7.915 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.871 9.633 -4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.355 9.924 -5.012 1.00 0.00 H new ATOM 840 N GLU A 52 -6.915 5.541 -5.897 1.00 0.00 N ATOM 841 CA GLU A 52 -6.450 4.317 -6.527 1.00 0.00 C ATOM 842 C GLU A 52 -6.294 3.203 -5.485 1.00 0.00 C ATOM 843 O GLU A 52 -6.520 2.031 -5.786 1.00 0.00 O ATOM 844 CB GLU A 52 -5.118 4.686 -7.213 1.00 0.00 C ATOM 845 CG GLU A 52 -5.331 5.013 -8.700 1.00 0.00 C ATOM 846 CD GLU A 52 -6.313 6.172 -8.911 1.00 0.00 C ATOM 847 OE1 GLU A 52 -5.867 7.334 -8.791 1.00 0.00 O ATOM 848 OE2 GLU A 52 -7.500 5.878 -9.176 1.00 0.00 O ATOM 0 H GLU A 52 -6.320 6.327 -6.159 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.157 3.928 -7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.672 5.544 -6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.415 3.859 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.373 5.265 -9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.704 4.127 -9.214 1.00 0.00 H new ATOM 855 N CYS A 53 -5.906 3.578 -4.260 1.00 0.00 N ATOM 856 CA CYS A 53 -5.771 2.687 -3.127 1.00 0.00 C ATOM 857 C CYS A 53 -7.180 2.315 -2.687 1.00 0.00 C ATOM 858 O CYS A 53 -7.532 1.139 -2.709 1.00 0.00 O ATOM 859 CB CYS A 53 -5.021 3.401 -2.007 1.00 0.00 C ATOM 860 SG CYS A 53 -4.279 2.358 -0.724 1.00 0.00 S ATOM 0 H CYS A 53 -5.672 4.545 -4.034 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.208 1.790 -3.384 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.230 4.000 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.711 4.094 -1.525 1.00 0.00 H new ATOM 865 N ARG A 54 -7.992 3.330 -2.338 1.00 0.00 N ATOM 866 CA ARG A 54 -9.369 3.109 -1.896 1.00 0.00 C ATOM 867 C ARG A 54 -10.256 2.434 -2.966 1.00 0.00 C ATOM 868 O ARG A 54 -11.250 1.813 -2.610 1.00 0.00 O ATOM 869 CB ARG A 54 -10.001 4.423 -1.408 1.00 0.00 C ATOM 870 CG ARG A 54 -9.308 4.979 -0.146 1.00 0.00 C ATOM 871 CD ARG A 54 -10.298 5.745 0.742 1.00 0.00 C ATOM 872 NE ARG A 54 -10.709 7.012 0.120 1.00 0.00 N ATOM 873 CZ ARG A 54 -11.448 7.967 0.713 1.00 0.00 C ATOM 874 NH1 ARG A 54 -11.901 7.819 1.968 1.00 0.00 N ATOM 875 NH2 ARG A 54 -11.731 9.091 0.039 1.00 0.00 N ATOM 0 H ARG A 54 -7.712 4.311 -2.356 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.315 2.409 -1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.949 5.165 -2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.057 4.258 -1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.867 4.159 0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.492 5.640 -0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.177 5.127 0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.840 5.945 1.711 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.409 7.181 -0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.686 6.970 2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.460 8.556 2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.387 9.215 -0.913 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.290 9.822 0.478 1.00 0.00 H new ATOM 889 N ARG A 55 -9.935 2.520 -4.264 1.00 0.00 N ATOM 890 CA ARG A 55 -10.699 1.906 -5.345 1.00 0.00 C ATOM 891 C ARG A 55 -10.735 0.370 -5.274 1.00 0.00 C ATOM 892 O ARG A 55 -11.738 -0.252 -5.622 1.00 0.00 O ATOM 893 CB ARG A 55 -10.003 2.303 -6.656 1.00 0.00 C ATOM 894 CG ARG A 55 -10.400 3.709 -7.128 1.00 0.00 C ATOM 895 CD ARG A 55 -11.656 3.677 -8.005 1.00 0.00 C ATOM 896 NE ARG A 55 -12.120 5.031 -8.345 1.00 0.00 N ATOM 897 CZ ARG A 55 -11.582 5.848 -9.269 1.00 0.00 C ATOM 898 NH1 ARG A 55 -10.529 5.470 -10.011 1.00 0.00 N ATOM 899 NH2 ARG A 55 -12.109 7.067 -9.452 1.00 0.00 N ATOM 0 H ARG A 55 -9.117 3.032 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.730 2.252 -5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.923 2.261 -6.518 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.254 1.579 -7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.576 4.347 -6.262 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.576 4.151 -7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.446 3.124 -8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.449 3.141 -7.484 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.927 5.384 -7.831 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.119 4.545 -9.881 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.139 6.108 -10.705 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.909 7.366 -8.894 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.710 7.696 -10.149 1.00 0.00 H new ATOM 913 N THR A 56 -9.613 -0.211 -4.841 1.00 0.00 N ATOM 914 CA THR A 56 -9.336 -1.641 -4.740 1.00 0.00 C ATOM 915 C THR A 56 -9.341 -2.155 -3.296 1.00 0.00 C ATOM 916 O THR A 56 -9.693 -3.310 -3.077 1.00 0.00 O ATOM 917 CB THR A 56 -7.962 -1.896 -5.403 1.00 0.00 C ATOM 918 OG1 THR A 56 -7.992 -1.457 -6.749 1.00 0.00 O ATOM 919 CG2 THR A 56 -7.567 -3.380 -5.399 1.00 0.00 C ATOM 0 H THR A 56 -8.819 0.349 -4.530 1.00 0.00 H new ATOM 0 HA THR A 56 -10.130 -2.188 -5.248 1.00 0.00 H new ATOM 0 HB THR A 56 -7.227 -1.342 -4.818 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.120 -1.618 -7.165 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.595 -3.499 -5.877 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.513 -3.739 -4.371 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.313 -3.957 -5.946 1.00 0.00 H new ATOM 927 N CYS A 57 -8.937 -1.337 -2.315 1.00 0.00 N ATOM 928 CA CYS A 57 -8.851 -1.677 -0.915 1.00 0.00 C ATOM 929 C CYS A 57 -10.071 -1.258 -0.094 1.00 0.00 C ATOM 930 O CYS A 57 -10.356 -1.889 0.924 1.00 0.00 O ATOM 931 CB CYS A 57 -7.586 -0.994 -0.390 1.00 0.00 C ATOM 932 SG CYS A 57 -6.008 -1.424 -1.194 1.00 0.00 S ATOM 0 H CYS A 57 -8.650 -0.376 -2.500 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.816 -2.762 -0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.725 0.084 -0.475 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.496 -1.221 0.672 1.00 0.00 H new ATOM 937 N ILE A 58 -10.776 -0.211 -0.535 1.00 0.00 N ATOM 938 CA ILE A 58 -11.968 0.338 0.148 1.00 0.00 C ATOM 939 C ILE A 58 -13.254 0.261 -0.704 1.00 0.00 C ATOM 940 O ILE A 58 -14.344 0.516 -0.195 1.00 0.00 O ATOM 941 CB ILE A 58 -11.697 1.783 0.611 1.00 0.00 C ATOM 942 CG1 ILE A 58 -10.367 1.928 1.382 1.00 0.00 C ATOM 943 CG2 ILE A 58 -12.821 2.341 1.509 1.00 0.00 C ATOM 944 CD1 ILE A 58 -10.290 1.179 2.700 1.00 0.00 C ATOM 0 H ILE A 58 -10.536 0.292 -1.390 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.150 -0.293 1.018 1.00 0.00 H new ATOM 0 HB ILE A 58 -11.646 2.355 -0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -9.556 1.583 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.193 2.987 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -12.577 3.361 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -13.762 2.338 0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -12.919 1.719 2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.316 1.348 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.073 1.537 3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.426 0.112 2.521 1.00 0.00 H new ATOM 956 N ARG A 59 -13.124 -0.119 -1.980 1.00 0.00 N ATOM 957 CA ARG A 59 -14.131 -0.296 -3.013 1.00 0.00 C ATOM 958 C ARG A 59 -14.337 1.000 -3.816 1.00 0.00 C ATOM 959 O ARG A 59 -14.201 2.103 -3.284 1.00 0.00 O ATOM 960 CB ARG A 59 -15.459 -0.809 -2.432 1.00 0.00 C ATOM 961 CG ARG A 59 -16.162 -1.654 -3.494 1.00 0.00 C ATOM 962 CD ARG A 59 -17.521 -2.170 -3.018 1.00 0.00 C ATOM 963 NE ARG A 59 -18.210 -2.911 -4.087 1.00 0.00 N ATOM 964 CZ ARG A 59 -18.794 -2.365 -5.172 1.00 0.00 C ATOM 965 NH1 ARG A 59 -18.894 -1.034 -5.320 1.00 0.00 N ATOM 966 NH2 ARG A 59 -19.280 -3.169 -6.129 1.00 0.00 N ATOM 0 H ARG A 59 -12.197 -0.333 -2.348 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.762 -1.059 -3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.276 -1.403 -1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.091 0.028 -2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.298 -1.059 -4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.528 -2.499 -3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.385 -2.818 -2.152 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.139 -1.332 -2.695 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.249 -3.926 -3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.523 -0.412 -4.602 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.341 -0.645 -6.151 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.205 -4.182 -6.031 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.724 -2.768 -6.955 1.00 0.00 H new ATOM 980 N LYS A 60 -14.689 0.850 -5.102 1.00 0.00 N ATOM 981 CA LYS A 60 -14.958 1.935 -6.041 1.00 0.00 C ATOM 982 C LYS A 60 -16.380 2.447 -5.776 1.00 0.00 C ATOM 983 O LYS A 60 -16.506 3.657 -5.488 1.00 0.00 O ATOM 984 CB LYS A 60 -14.787 1.408 -7.484 1.00 0.00 C ATOM 985 CG LYS A 60 -15.001 2.445 -8.606 1.00 0.00 C ATOM 986 CD LYS A 60 -16.475 2.730 -8.939 1.00 0.00 C ATOM 987 CE LYS A 60 -16.600 3.590 -10.204 1.00 0.00 C ATOM 988 NZ LYS A 60 -17.995 4.002 -10.437 1.00 0.00 N ATOM 989 OXT LYS A 60 -17.318 1.624 -5.864 1.00 0.00 O ATOM 0 H LYS A 60 -14.797 -0.071 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.261 2.763 -5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.783 0.995 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.487 0.586 -7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.520 3.379 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.499 2.094 -9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -17.007 1.789 -9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.948 3.241 -8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.969 4.474 -10.109 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.236 3.029 -11.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.046 4.582 -11.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.592 3.158 -10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.333 4.558 -9.625 1.00 0.00 H new TER 1003 LYS A 60 CONECT 123 932 CONECT 271 668 CONECT 560 860 CONECT 668 271 CONECT 860 560 CONECT 932 123 END