USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER MUSCLE PROTEIN 29-DEC-93 1TRF TITLE SOLUTION STRUCTURE OF THE TR1C FRAGMENT OF SKELETAL MUSCLE TITLE 2 TROPONIN-C COMPND MOL_ID: 1; COMPND 2 MOLECULE: TROPONIN C; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MELEAGRIS GALLOPAVO; SOURCE 3 ORGANISM_COMMON: TURKEY; SOURCE 4 ORGANISM_TAXID: 9103 KEYWDS MUSCLE PROTEIN EXPDTA SOLUTION NMR AUTHOR W.A.FINDLAY,F.D.SOENNICHSEN,B.D.SYKES REVDAT 3 24-FEB-09 1TRF 1 VERSN REVDAT 2 01-APR-03 1TRF 1 JRNL REVDAT 1 15-OCT-94 1TRF 0 JRNL AUTH W.A.FINDLAY,F.D.SONNICHSEN,B.D.SYKES JRNL TITL SOLUTION STRUCTURE OF THE TR1C FRAGMENT OF JRNL TITL 2 SKELETAL MUSCLE TROPONIN-C. JRNL REF J.BIOL.CHEM. V. 269 6773 1994 JRNL REFN ISSN 0021-9258 JRNL PMID 8120037 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1TRF 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: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 16 CD GLU A 16 OE1 0.120 REMARK 500 GLU A 17 CD GLU A 17 OE1 0.120 REMARK 500 GLU A 21 CD GLU A 21 OE1 0.120 REMARK 500 GLU A 41 CD GLU A 41 OE2 0.119 REMARK 500 GLU A 56 CD GLU A 56 OE1 0.120 REMARK 500 GLU A 57 CD GLU A 57 OE2 0.119 REMARK 500 GLU A 63 CD GLU A 63 OE1 0.120 REMARK 500 GLU A 64 CD GLU A 64 OE1 0.120 REMARK 500 GLU A 67 CD GLU A 67 OE2 0.119 REMARK 500 GLU A 76 CD GLU A 76 OE1 0.120 REMARK 500 GLU A 77 CD GLU A 77 OE2 0.119 REMARK 500 LYS A 87 C LYS A 87 OXT 0.146 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 27 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES REMARK 500 ASP A 30 CB - CG - OD1 ANGL. DEV. = -5.8 DEGREES REMARK 500 ASP A 32 CB - CG - OD1 ANGL. DEV. = -6.1 DEGREES REMARK 500 ASP A 36 CB - CG - OD1 ANGL. DEV. = 5.6 DEGREES REMARK 500 ASP A 36 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 ARG A 47 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 ASP A 59 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 ASP A 66 CB - CG - OD1 ANGL. DEV. = -6.0 DEGREES REMARK 500 ASP A 68 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES REMARK 500 ASP A 74 CB - CG - OD1 ANGL. DEV. = -5.9 DEGREES REMARK 500 ARG A 84 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 LEU A 49 -74.20 -74.05 REMARK 500 SER A 70 -72.99 -95.64 REMARK 500 GLN A 85 -70.39 -71.41 REMARK 500 REMARK 500 REMARK: NULL DBREF 1TRF A 12 87 UNP P10246 TNNC2_MELGA 12 87 SEQRES 1 A 76 ALA PHE LEU SER GLU GLU MET ILE ALA GLU PHE LYS ALA SEQRES 2 A 76 ALA PHE ASP MET PHE ASP ALA ASP GLY GLY GLY ASP ILE SEQRES 3 A 76 SER THR LYS GLU LEU GLY THR VAL MET ARG MET LEU GLY SEQRES 4 A 76 GLN ASN PRO THR LYS GLU GLU LEU ASP ALA ILE ILE GLU SEQRES 5 A 76 GLU VAL ASP GLU ASP GLY SER GLY THR ILE ASP PHE GLU SEQRES 6 A 76 GLU PHE LEU VAL MET MET VAL ARG GLN MET LYS HELIX 1 1 GLU A 16 PHE A 29 1 14 HELIX 2 2 THR A 39 GLY A 50 1 12 HELIX 3 3 THR A 54 VAL A 65 1 12 HELIX 4 4 PHE A 75 MET A 86 1 12 SHEET 1 A 2 ASP A 36 SER A 38 0 SHEET 2 A 2 THR A 72 ASP A 74 -1 O ILE A 73 N ILE A 37 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 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 85 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -178:sc= 0 (180deg=-0.0044) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 52 ASN : amide:sc= -0.019 X(o=-0.019,f=-0.019) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0302 USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.617) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.072 USER MOD Single : A 81 MET CE :methyl 179:sc= -0.039 (180deg=-0.0418) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 12 19.021 -14.232 9.074 1.00 0.00 N ATOM 2 CA ALA A 12 19.306 -14.251 10.527 1.00 0.00 C ATOM 3 C ALA A 12 18.103 -13.706 11.345 1.00 0.00 C ATOM 4 O ALA A 12 17.502 -14.478 12.098 1.00 0.00 O ATOM 5 CB ALA A 12 20.628 -13.505 10.804 1.00 0.00 C ATOM 0 HA ALA A 12 19.440 -15.280 10.861 1.00 0.00 H new ATOM 0 HB1 ALA A 12 20.837 -13.520 11.874 1.00 0.00 H new ATOM 0 HB2 ALA A 12 21.441 -13.995 10.269 1.00 0.00 H new ATOM 0 HB3 ALA A 12 20.541 -12.473 10.465 1.00 0.00 H new ATOM 6 N PHE A 13 17.760 -12.404 11.220 1.00 0.00 N ATOM 7 CA PHE A 13 16.629 -11.781 11.963 1.00 0.00 C ATOM 8 C PHE A 13 15.856 -10.898 10.949 1.00 0.00 C ATOM 9 O PHE A 13 16.317 -9.816 10.566 1.00 0.00 O ATOM 10 CB PHE A 13 17.128 -10.949 13.182 1.00 0.00 C ATOM 11 CG PHE A 13 17.731 -11.771 14.339 1.00 0.00 C ATOM 12 CD1 PHE A 13 16.896 -12.405 15.266 1.00 0.00 C ATOM 13 CD2 PHE A 13 19.119 -11.911 14.458 1.00 0.00 C ATOM 14 CE1 PHE A 13 17.441 -13.170 16.294 1.00 0.00 C ATOM 15 CE2 PHE A 13 19.661 -12.679 15.486 1.00 0.00 C ATOM 16 CZ PHE A 13 18.823 -13.307 16.403 1.00 0.00 C ATOM 0 H PHE A 13 18.253 -11.755 10.607 1.00 0.00 H new ATOM 0 HA PHE A 13 15.977 -12.550 12.378 1.00 0.00 H new ATOM 0 HB2 PHE A 13 17.878 -10.239 12.834 1.00 0.00 H new ATOM 0 HB3 PHE A 13 16.292 -10.366 13.569 1.00 0.00 H new ATOM 0 HD1 PHE A 13 15.824 -12.300 15.184 1.00 0.00 H new ATOM 0 HD2 PHE A 13 19.772 -11.422 13.750 1.00 0.00 H new ATOM 0 HE1 PHE A 13 16.792 -13.657 17.007 1.00 0.00 H new ATOM 0 HE2 PHE A 13 20.732 -12.787 15.572 1.00 0.00 H new ATOM 0 HZ PHE A 13 19.245 -13.901 17.200 1.00 0.00 H new ATOM 17 N LEU A 14 14.680 -11.385 10.511 1.00 0.00 N ATOM 18 CA LEU A 14 13.818 -10.678 9.522 1.00 0.00 C ATOM 19 C LEU A 14 12.320 -11.010 9.778 1.00 0.00 C ATOM 20 O LEU A 14 11.963 -12.104 10.233 1.00 0.00 O ATOM 21 CB LEU A 14 14.272 -10.991 8.058 1.00 0.00 C ATOM 22 CG LEU A 14 14.214 -12.459 7.525 1.00 0.00 C ATOM 23 CD1 LEU A 14 12.842 -12.833 6.921 1.00 0.00 C ATOM 24 CD2 LEU A 14 15.315 -12.715 6.476 1.00 0.00 C ATOM 0 H LEU A 14 14.294 -12.275 10.826 1.00 0.00 H new ATOM 0 HA LEU A 14 13.932 -9.602 9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.665 -10.379 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 14 15.302 -10.648 7.956 1.00 0.00 H new ATOM 0 HG LEU A 14 14.377 -13.093 8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.868 -13.864 6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.069 -12.728 7.682 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.620 -12.170 6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 14 15.250 -13.744 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 14 15.182 -12.034 5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.293 -12.547 6.927 1.00 0.00 H new ATOM 25 N SER A 15 11.439 -10.048 9.438 1.00 0.00 N ATOM 26 CA SER A 15 9.968 -10.212 9.574 1.00 0.00 C ATOM 27 C SER A 15 9.416 -10.926 8.308 1.00 0.00 C ATOM 28 O SER A 15 9.450 -10.377 7.202 1.00 0.00 O ATOM 29 CB SER A 15 9.306 -8.831 9.776 1.00 0.00 C ATOM 30 OG SER A 15 9.689 -8.255 11.020 1.00 0.00 O ATOM 0 H SER A 15 11.718 -9.141 9.064 1.00 0.00 H new ATOM 0 HA SER A 15 9.736 -10.825 10.445 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.590 -8.165 8.961 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.222 -8.935 9.739 1.00 0.00 H new ATOM 0 HG SER A 15 9.258 -7.381 11.122 1.00 0.00 H new ATOM 31 N GLU A 16 8.934 -12.167 8.498 1.00 0.00 N ATOM 32 CA GLU A 16 8.399 -13.019 7.399 1.00 0.00 C ATOM 33 C GLU A 16 6.841 -13.095 7.361 1.00 0.00 C ATOM 34 O GLU A 16 6.288 -13.076 6.258 1.00 0.00 O ATOM 35 CB GLU A 16 9.049 -14.429 7.524 1.00 0.00 C ATOM 36 CG GLU A 16 8.803 -15.417 6.358 1.00 0.00 C ATOM 37 CD GLU A 16 9.359 -14.959 5.004 1.00 0.00 C ATOM 38 OE1 GLU A 16 10.704 -15.200 4.885 1.00 0.00 O ATOM 39 OE2 GLU A 16 8.667 -14.429 4.134 1.00 0.00 O ATOM 0 H GLU A 16 8.900 -12.615 9.414 1.00 0.00 H new ATOM 0 HA GLU A 16 8.666 -12.560 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.125 -14.298 7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.686 -14.890 8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.250 -16.378 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.730 -15.581 6.259 1.00 0.00 H new ATOM 40 N GLU A 17 6.138 -13.198 8.512 1.00 0.00 N ATOM 41 CA GLU A 17 4.648 -13.320 8.563 1.00 0.00 C ATOM 42 C GLU A 17 3.888 -12.091 7.970 1.00 0.00 C ATOM 43 O GLU A 17 3.052 -12.288 7.083 1.00 0.00 O ATOM 44 CB GLU A 17 4.187 -13.603 10.021 1.00 0.00 C ATOM 45 CG GLU A 17 4.600 -14.982 10.586 1.00 0.00 C ATOM 46 CD GLU A 17 4.099 -15.209 12.014 1.00 0.00 C ATOM 47 OE1 GLU A 17 2.835 -15.742 12.042 1.00 0.00 O ATOM 48 OE2 GLU A 17 4.761 -14.940 13.015 1.00 0.00 O ATOM 0 H GLU A 17 6.578 -13.200 9.432 1.00 0.00 H new ATOM 0 HA GLU A 17 4.387 -14.161 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.591 -12.826 10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.101 -13.521 10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.209 -15.767 9.939 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.687 -15.067 10.569 1.00 0.00 H new ATOM 49 N MET A 18 4.176 -10.851 8.427 1.00 0.00 N ATOM 50 CA MET A 18 3.535 -9.619 7.880 1.00 0.00 C ATOM 51 C MET A 18 3.991 -9.250 6.428 1.00 0.00 C ATOM 52 O MET A 18 3.122 -8.851 5.652 1.00 0.00 O ATOM 53 CB MET A 18 3.663 -8.439 8.884 1.00 0.00 C ATOM 54 CG MET A 18 5.068 -7.987 9.316 1.00 0.00 C ATOM 55 SD MET A 18 4.923 -6.610 10.473 1.00 0.00 S ATOM 56 CE MET A 18 6.645 -6.425 10.974 1.00 0.00 C ATOM 0 H MET A 18 4.847 -10.670 9.173 1.00 0.00 H new ATOM 0 HA MET A 18 2.474 -9.843 7.768 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.158 -7.577 8.448 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.111 -8.710 9.784 1.00 0.00 H new ATOM 0 HG2 MET A 18 5.601 -8.815 9.783 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.649 -7.685 8.445 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.729 -5.610 11.693 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.992 -7.351 11.433 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.256 -6.202 10.100 1.00 0.00 H new ATOM 57 N ILE A 19 5.280 -9.412 6.031 1.00 0.00 N ATOM 58 CA ILE A 19 5.756 -9.171 4.623 1.00 0.00 C ATOM 59 C ILE A 19 5.041 -10.145 3.615 1.00 0.00 C ATOM 60 O ILE A 19 4.560 -9.666 2.584 1.00 0.00 O ATOM 61 CB ILE A 19 7.336 -9.203 4.558 1.00 0.00 C ATOM 62 CG1 ILE A 19 8.040 -7.917 5.105 1.00 0.00 C ATOM 63 CG2 ILE A 19 7.891 -9.376 3.114 1.00 0.00 C ATOM 64 CD1 ILE A 19 7.737 -7.472 6.539 1.00 0.00 C ATOM 0 H ILE A 19 6.021 -9.711 6.665 1.00 0.00 H new ATOM 0 HA ILE A 19 5.470 -8.169 4.305 1.00 0.00 H new ATOM 0 HB ILE A 19 7.562 -10.062 5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.116 -8.069 5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.785 -7.091 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.981 -9.390 3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.527 -10.314 2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.555 -8.546 2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.301 -6.568 6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.671 -7.269 6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.023 -8.262 7.233 1.00 0.00 H new ATOM 65 N ALA A 20 4.971 -11.467 3.894 1.00 0.00 N ATOM 66 CA ALA A 20 4.209 -12.441 3.059 1.00 0.00 C ATOM 67 C ALA A 20 2.677 -12.151 2.929 1.00 0.00 C ATOM 68 O ALA A 20 2.121 -12.388 1.854 1.00 0.00 O ATOM 69 CB ALA A 20 4.439 -13.851 3.637 1.00 0.00 C ATOM 0 H ALA A 20 5.435 -11.892 4.697 1.00 0.00 H new ATOM 0 HA ALA A 20 4.590 -12.349 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.891 -14.582 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.503 -14.086 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.086 -13.884 4.668 1.00 0.00 H new ATOM 70 N GLU A 21 2.010 -11.637 3.988 1.00 0.00 N ATOM 71 CA GLU A 21 0.581 -11.212 3.942 1.00 0.00 C ATOM 72 C GLU A 21 0.360 -9.899 3.106 1.00 0.00 C ATOM 73 O GLU A 21 -0.610 -9.843 2.340 1.00 0.00 O ATOM 74 CB GLU A 21 0.080 -11.105 5.408 1.00 0.00 C ATOM 75 CG GLU A 21 -1.456 -11.130 5.559 1.00 0.00 C ATOM 76 CD GLU A 21 -1.916 -11.154 7.021 1.00 0.00 C ATOM 77 OE1 GLU A 21 -1.639 -9.982 7.678 1.00 0.00 O ATOM 78 OE2 GLU A 21 -2.470 -12.124 7.538 1.00 0.00 O ATOM 0 H GLU A 21 2.443 -11.503 4.902 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.013 -11.955 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.503 -11.927 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.461 -10.181 5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.878 -10.254 5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.851 -12.006 5.045 1.00 0.00 H new ATOM 79 N PHE A 22 1.250 -8.876 3.214 1.00 0.00 N ATOM 80 CA PHE A 22 1.234 -7.667 2.328 1.00 0.00 C ATOM 81 C PHE A 22 1.405 -8.051 0.821 1.00 0.00 C ATOM 82 O PHE A 22 0.597 -7.602 0.009 1.00 0.00 O ATOM 83 CB PHE A 22 2.321 -6.621 2.740 1.00 0.00 C ATOM 84 CG PHE A 22 2.184 -5.940 4.121 1.00 0.00 C ATOM 85 CD1 PHE A 22 0.976 -5.348 4.506 1.00 0.00 C ATOM 86 CD2 PHE A 22 3.268 -5.901 5.006 1.00 0.00 C ATOM 87 CE1 PHE A 22 0.832 -4.795 5.776 1.00 0.00 C ATOM 88 CE2 PHE A 22 3.122 -5.351 6.278 1.00 0.00 C ATOM 89 CZ PHE A 22 1.904 -4.804 6.662 1.00 0.00 C ATOM 0 H PHE A 22 1.995 -8.860 3.910 1.00 0.00 H new ATOM 0 HA PHE A 22 0.255 -7.207 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.291 -7.116 2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.336 -5.838 1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.149 -5.320 3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.224 -6.300 4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.111 -4.360 6.072 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.955 -5.350 6.965 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.789 -4.385 7.651 1.00 0.00 H new ATOM 90 N LYS A 23 2.396 -8.904 0.471 1.00 0.00 N ATOM 91 CA LYS A 23 2.571 -9.481 -0.895 1.00 0.00 C ATOM 92 C LYS A 23 1.351 -10.323 -1.405 1.00 0.00 C ATOM 93 O LYS A 23 1.053 -10.255 -2.599 1.00 0.00 O ATOM 94 CB LYS A 23 3.886 -10.313 -0.859 1.00 0.00 C ATOM 95 CG LYS A 23 4.296 -11.042 -2.161 1.00 0.00 C ATOM 96 CD LYS A 23 5.699 -11.692 -2.130 1.00 0.00 C ATOM 97 CE LYS A 23 5.937 -12.809 -1.090 1.00 0.00 C ATOM 98 NZ LYS A 23 5.104 -14.007 -1.309 1.00 0.00 N ATOM 0 H LYS A 23 3.107 -9.218 1.131 1.00 0.00 H new ATOM 0 HA LYS A 23 2.631 -8.670 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.700 -9.646 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.793 -11.058 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.558 -11.815 -2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.260 -10.330 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.903 -12.102 -3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.432 -10.905 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.988 -13.098 -1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.737 -12.415 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.315 -14.715 -0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.099 -13.745 -1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.311 -14.407 -2.247 1.00 0.00 H new ATOM 99 N ALA A 24 0.663 -11.101 -0.540 1.00 0.00 N ATOM 100 CA ALA A 24 -0.561 -11.868 -0.918 1.00 0.00 C ATOM 101 C ALA A 24 -1.766 -10.994 -1.374 1.00 0.00 C ATOM 102 O ALA A 24 -2.355 -11.264 -2.424 1.00 0.00 O ATOM 103 CB ALA A 24 -0.940 -12.807 0.244 1.00 0.00 C ATOM 0 H ALA A 24 0.933 -11.219 0.437 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.312 -12.448 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.833 -13.372 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.118 -13.497 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.137 -12.217 1.139 1.00 0.00 H new ATOM 104 N ALA A 25 -2.093 -9.947 -0.602 1.00 0.00 N ATOM 105 CA ALA A 25 -3.101 -8.919 -1.000 1.00 0.00 C ATOM 106 C ALA A 25 -2.684 -8.049 -2.235 1.00 0.00 C ATOM 107 O ALA A 25 -3.534 -7.731 -3.068 1.00 0.00 O ATOM 108 CB ALA A 25 -3.382 -8.015 0.214 1.00 0.00 C ATOM 0 H ALA A 25 -1.676 -9.778 0.313 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.996 -9.455 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.117 -7.258 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.770 -8.618 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.458 -7.528 0.527 1.00 0.00 H new ATOM 109 N PHE A 26 -1.390 -7.687 -2.354 1.00 0.00 N ATOM 110 CA PHE A 26 -0.805 -6.948 -3.507 1.00 0.00 C ATOM 111 C PHE A 26 -0.933 -7.702 -4.866 1.00 0.00 C ATOM 112 O PHE A 26 -1.496 -7.165 -5.822 1.00 0.00 O ATOM 113 CB PHE A 26 0.685 -6.710 -3.137 1.00 0.00 C ATOM 114 CG PHE A 26 1.427 -5.675 -3.975 1.00 0.00 C ATOM 115 CD1 PHE A 26 1.352 -4.321 -3.642 1.00 0.00 C ATOM 116 CD2 PHE A 26 2.262 -6.086 -5.017 1.00 0.00 C ATOM 117 CE1 PHE A 26 2.112 -3.388 -4.337 1.00 0.00 C ATOM 118 CE2 PHE A 26 3.008 -5.150 -5.720 1.00 0.00 C ATOM 119 CZ PHE A 26 2.917 -3.796 -5.397 1.00 0.00 C ATOM 0 H PHE A 26 -0.699 -7.903 -1.635 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.350 -6.017 -3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.734 -6.405 -2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.214 -7.660 -3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.702 -3.998 -2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.327 -7.133 -5.276 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.078 -2.346 -4.055 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.660 -5.471 -6.519 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.470 -3.065 -5.968 1.00 0.00 H new ATOM 120 N ASP A 27 -0.409 -8.943 -4.917 1.00 0.00 N ATOM 121 CA ASP A 27 -0.516 -9.843 -6.104 1.00 0.00 C ATOM 122 C ASP A 27 -1.990 -10.215 -6.500 1.00 0.00 C ATOM 123 O ASP A 27 -2.256 -10.386 -7.692 1.00 0.00 O ATOM 124 CB ASP A 27 0.360 -11.095 -5.834 1.00 0.00 C ATOM 125 CG ASP A 27 0.674 -11.924 -7.088 1.00 0.00 C ATOM 126 OD1 ASP A 27 1.562 -11.630 -7.889 1.00 0.00 O ATOM 127 OD2 ASP A 27 -0.151 -13.012 -7.212 1.00 0.00 O ATOM 0 H ASP A 27 0.103 -9.359 -4.139 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.148 -9.305 -6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.298 -10.777 -5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.148 -11.731 -5.109 1.00 0.00 H new ATOM 128 N MET A 28 -2.933 -10.325 -5.535 1.00 0.00 N ATOM 129 CA MET A 28 -4.392 -10.461 -5.817 1.00 0.00 C ATOM 130 C MET A 28 -4.976 -9.180 -6.512 1.00 0.00 C ATOM 131 O MET A 28 -5.670 -9.311 -7.523 1.00 0.00 O ATOM 132 CB MET A 28 -5.105 -10.788 -4.475 1.00 0.00 C ATOM 133 CG MET A 28 -6.593 -11.167 -4.592 1.00 0.00 C ATOM 134 SD MET A 28 -7.316 -11.388 -2.949 1.00 0.00 S ATOM 135 CE MET A 28 -6.752 -13.043 -2.496 1.00 0.00 C ATOM 0 H MET A 28 -2.710 -10.323 -4.540 1.00 0.00 H new ATOM 0 HA MET A 28 -4.563 -11.271 -6.526 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.575 -11.610 -3.993 1.00 0.00 H new ATOM 0 HB3 MET A 28 -5.019 -9.923 -3.817 1.00 0.00 H new ATOM 0 HG2 MET A 28 -7.132 -10.389 -5.132 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.697 -12.086 -5.169 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.130 -13.298 -1.506 1.00 0.00 H new ATOM 0 HE2 MET A 28 -7.123 -13.766 -3.223 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.662 -13.066 -2.486 1.00 0.00 H new ATOM 136 N PHE A 29 -4.679 -7.969 -5.986 1.00 0.00 N ATOM 137 CA PHE A 29 -5.103 -6.671 -6.589 1.00 0.00 C ATOM 138 C PHE A 29 -4.012 -6.109 -7.543 1.00 0.00 C ATOM 139 O PHE A 29 -3.537 -4.988 -7.362 1.00 0.00 O ATOM 140 CB PHE A 29 -5.468 -5.701 -5.421 1.00 0.00 C ATOM 141 CG PHE A 29 -6.800 -6.045 -4.720 1.00 0.00 C ATOM 142 CD1 PHE A 29 -8.016 -5.836 -5.383 1.00 0.00 C ATOM 143 CD2 PHE A 29 -6.810 -6.585 -3.428 1.00 0.00 C ATOM 144 CE1 PHE A 29 -9.220 -6.161 -4.762 1.00 0.00 C ATOM 145 CE2 PHE A 29 -8.015 -6.906 -2.809 1.00 0.00 C ATOM 146 CZ PHE A 29 -9.219 -6.694 -3.476 1.00 0.00 C ATOM 0 H PHE A 29 -4.137 -7.858 -5.129 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.983 -6.803 -7.219 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.665 -5.716 -4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.524 -4.684 -5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.020 -5.421 -6.380 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.878 -6.753 -2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.155 -5.999 -5.279 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.016 -7.320 -1.811 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.153 -6.943 -2.995 1.00 0.00 H new ATOM 147 N ASP A 30 -3.678 -6.863 -8.609 1.00 0.00 N ATOM 148 CA ASP A 30 -2.564 -6.522 -9.527 1.00 0.00 C ATOM 149 C ASP A 30 -2.980 -5.612 -10.715 1.00 0.00 C ATOM 150 O ASP A 30 -3.966 -5.871 -11.413 1.00 0.00 O ATOM 151 CB ASP A 30 -1.888 -7.828 -10.031 1.00 0.00 C ATOM 152 CG ASP A 30 -2.689 -8.788 -10.932 1.00 0.00 C ATOM 153 OD1 ASP A 30 -3.530 -9.600 -10.215 1.00 0.00 O ATOM 154 OD2 ASP A 30 -2.580 -8.811 -12.158 1.00 0.00 O ATOM 0 H ASP A 30 -4.168 -7.722 -8.860 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.851 -5.931 -8.953 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.987 -7.543 -10.574 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.567 -8.391 -9.155 1.00 0.00 H new ATOM 155 N ALA A 31 -2.165 -4.567 -10.940 1.00 0.00 N ATOM 156 CA ALA A 31 -2.244 -3.714 -12.157 1.00 0.00 C ATOM 157 C ALA A 31 -1.257 -4.277 -13.227 1.00 0.00 C ATOM 158 O ALA A 31 -1.697 -4.644 -14.319 1.00 0.00 O ATOM 159 CB ALA A 31 -1.964 -2.245 -11.791 1.00 0.00 C ATOM 0 H ALA A 31 -1.432 -4.283 -10.290 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.246 -3.737 -12.585 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.024 -1.629 -12.688 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.703 -1.903 -11.066 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.967 -2.161 -11.359 1.00 0.00 H new ATOM 160 N ASP A 32 0.054 -4.374 -12.902 1.00 0.00 N ATOM 161 CA ASP A 32 1.082 -5.000 -13.772 1.00 0.00 C ATOM 162 C ASP A 32 1.046 -6.562 -13.623 1.00 0.00 C ATOM 163 O ASP A 32 0.751 -7.248 -14.606 1.00 0.00 O ATOM 164 CB ASP A 32 2.448 -4.340 -13.421 1.00 0.00 C ATOM 165 CG ASP A 32 3.619 -4.792 -14.304 1.00 0.00 C ATOM 166 OD1 ASP A 32 3.660 -4.117 -15.497 1.00 0.00 O ATOM 167 OD2 ASP A 32 4.422 -5.663 -13.968 1.00 0.00 O ATOM 0 H ASP A 32 0.432 -4.018 -12.024 1.00 0.00 H new ATOM 0 HA ASP A 32 0.893 -4.825 -14.831 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.346 -3.258 -13.501 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.687 -4.561 -12.381 1.00 0.00 H new ATOM 168 N GLY A 33 1.336 -7.106 -12.424 1.00 0.00 N ATOM 169 CA GLY A 33 1.342 -8.567 -12.181 1.00 0.00 C ATOM 170 C GLY A 33 1.887 -8.852 -10.770 1.00 0.00 C ATOM 171 O GLY A 33 1.115 -9.038 -9.826 1.00 0.00 O ATOM 0 H GLY A 33 1.571 -6.552 -11.601 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.333 -8.967 -12.280 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.958 -9.068 -12.928 1.00 0.00 H new ATOM 172 N GLY A 34 3.223 -8.887 -10.657 1.00 0.00 N ATOM 173 CA GLY A 34 3.923 -9.011 -9.358 1.00 0.00 C ATOM 174 C GLY A 34 5.018 -7.931 -9.291 1.00 0.00 C ATOM 175 O GLY A 34 6.204 -8.240 -9.441 1.00 0.00 O ATOM 0 H GLY A 34 3.852 -8.831 -11.458 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.219 -8.889 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.362 -10.003 -9.257 1.00 0.00 H new ATOM 176 N GLY A 35 4.600 -6.673 -9.071 1.00 0.00 N ATOM 177 CA GLY A 35 5.524 -5.518 -9.084 1.00 0.00 C ATOM 178 C GLY A 35 4.854 -4.175 -8.736 1.00 0.00 C ATOM 179 O GLY A 35 5.304 -3.519 -7.794 1.00 0.00 O ATOM 0 H GLY A 35 3.629 -6.426 -8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.331 -5.704 -8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.978 -5.440 -10.072 1.00 0.00 H new ATOM 180 N ASP A 36 3.821 -3.759 -9.499 1.00 0.00 N ATOM 181 CA ASP A 36 3.114 -2.466 -9.279 1.00 0.00 C ATOM 182 C ASP A 36 1.571 -2.699 -9.154 1.00 0.00 C ATOM 183 O ASP A 36 0.989 -3.481 -9.916 1.00 0.00 O ATOM 184 CB ASP A 36 3.335 -1.473 -10.454 1.00 0.00 C ATOM 185 CG ASP A 36 4.772 -1.018 -10.775 1.00 0.00 C ATOM 186 OD1 ASP A 36 5.727 -1.786 -10.888 1.00 0.00 O ATOM 187 OD2 ASP A 36 4.859 0.341 -10.943 1.00 0.00 O ATOM 0 H ASP A 36 3.451 -4.300 -10.280 1.00 0.00 H new ATOM 0 HA ASP A 36 3.525 -2.045 -8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.923 -1.929 -11.354 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.743 -0.581 -10.249 1.00 0.00 H new ATOM 188 N ILE A 37 0.912 -1.978 -8.223 1.00 0.00 N ATOM 189 CA ILE A 37 -0.586 -1.903 -8.135 1.00 0.00 C ATOM 190 C ILE A 37 -1.015 -0.416 -8.401 1.00 0.00 C ATOM 191 O ILE A 37 -0.227 0.526 -8.267 1.00 0.00 O ATOM 192 CB ILE A 37 -1.215 -2.473 -6.807 1.00 0.00 C ATOM 193 CG1 ILE A 37 -0.875 -1.675 -5.513 1.00 0.00 C ATOM 194 CG2 ILE A 37 -0.903 -3.980 -6.650 1.00 0.00 C ATOM 195 CD1 ILE A 37 -1.650 -2.109 -4.257 1.00 0.00 C ATOM 0 H ILE A 37 1.389 -1.429 -7.508 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.989 -2.568 -8.899 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.291 -2.341 -6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.192 -1.772 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.070 -0.618 -5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.348 -4.349 -5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.317 -4.527 -7.497 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.177 -4.127 -6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.344 -1.495 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.719 -1.984 -4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.437 -3.156 -4.042 1.00 0.00 H new ATOM 196 N SER A 38 -2.300 -0.202 -8.741 1.00 0.00 N ATOM 197 CA SER A 38 -2.860 1.153 -9.023 1.00 0.00 C ATOM 198 C SER A 38 -2.970 2.067 -7.756 1.00 0.00 C ATOM 199 O SER A 38 -2.844 1.617 -6.611 1.00 0.00 O ATOM 200 CB SER A 38 -4.251 0.962 -9.683 1.00 0.00 C ATOM 201 OG SER A 38 -4.152 0.301 -10.940 1.00 0.00 O ATOM 0 H SER A 38 -2.984 -0.953 -8.830 1.00 0.00 H new ATOM 0 HA SER A 38 -2.172 1.673 -9.689 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.893 0.384 -9.018 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.725 1.934 -9.819 1.00 0.00 H new ATOM 0 HG SER A 38 -5.047 0.196 -11.326 1.00 0.00 H new ATOM 202 N THR A 39 -3.215 3.371 -7.995 1.00 0.00 N ATOM 203 CA THR A 39 -3.395 4.406 -6.921 1.00 0.00 C ATOM 204 C THR A 39 -4.643 4.130 -6.015 1.00 0.00 C ATOM 205 O THR A 39 -4.506 4.167 -4.789 1.00 0.00 O ATOM 206 CB THR A 39 -3.459 5.849 -7.526 1.00 0.00 C ATOM 207 OG1 THR A 39 -4.382 5.897 -8.606 1.00 0.00 O ATOM 208 CG2 THR A 39 -2.144 6.402 -8.117 1.00 0.00 C ATOM 0 H THR A 39 -3.297 3.752 -8.938 1.00 0.00 H new ATOM 0 HA THR A 39 -2.516 4.337 -6.280 1.00 0.00 H new ATOM 0 HB THR A 39 -3.737 6.454 -6.663 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.411 6.806 -8.971 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.313 7.407 -8.505 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.382 6.437 -7.339 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.807 5.753 -8.925 1.00 0.00 H new ATOM 209 N LYS A 40 -5.831 3.841 -6.597 1.00 0.00 N ATOM 210 CA LYS A 40 -7.041 3.406 -5.828 1.00 0.00 C ATOM 211 C LYS A 40 -6.870 2.007 -5.137 1.00 0.00 C ATOM 212 O LYS A 40 -7.362 1.818 -4.016 1.00 0.00 O ATOM 213 CB LYS A 40 -8.286 3.389 -6.758 1.00 0.00 C ATOM 214 CG LYS A 40 -8.751 4.776 -7.261 1.00 0.00 C ATOM 215 CD LYS A 40 -10.005 4.701 -8.154 1.00 0.00 C ATOM 216 CE LYS A 40 -10.457 6.084 -8.655 1.00 0.00 C ATOM 217 NZ LYS A 40 -11.655 5.984 -9.507 1.00 0.00 N ATOM 0 H LYS A 40 -5.986 3.899 -7.603 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.178 4.134 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.066 2.762 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.112 2.918 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.959 5.417 -6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.941 5.245 -7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.799 4.058 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.818 4.238 -7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.668 6.730 -7.803 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.648 6.551 -9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.933 6.933 -9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.445 5.387 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.434 5.561 -8.963 1.00 0.00 H new ATOM 218 N GLU A 41 -6.161 1.044 -5.779 1.00 0.00 N ATOM 219 CA GLU A 41 -5.819 -0.266 -5.155 1.00 0.00 C ATOM 220 C GLU A 41 -4.894 -0.168 -3.891 1.00 0.00 C ATOM 221 O GLU A 41 -4.921 -1.109 -3.100 1.00 0.00 O ATOM 222 CB GLU A 41 -5.202 -1.226 -6.210 1.00 0.00 C ATOM 223 CG GLU A 41 -6.190 -1.711 -7.297 1.00 0.00 C ATOM 224 CD GLU A 41 -5.579 -2.704 -8.294 1.00 0.00 C ATOM 225 OE1 GLU A 41 -4.548 -2.487 -8.932 1.00 0.00 O ATOM 226 OE2 GLU A 41 -6.318 -3.854 -8.398 1.00 0.00 O ATOM 0 H GLU A 41 -5.813 1.148 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.764 -0.670 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.367 -0.722 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.793 -2.096 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.047 -2.179 -6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.566 -0.847 -7.844 1.00 0.00 H new ATOM 227 N LEU A 42 -4.122 0.928 -3.664 1.00 0.00 N ATOM 228 CA LEU A 42 -3.387 1.185 -2.384 1.00 0.00 C ATOM 229 C LEU A 42 -4.385 1.263 -1.172 1.00 0.00 C ATOM 230 O LEU A 42 -4.198 0.549 -0.181 1.00 0.00 O ATOM 231 CB LEU A 42 -2.536 2.485 -2.556 1.00 0.00 C ATOM 232 CG LEU A 42 -1.343 2.722 -1.584 1.00 0.00 C ATOM 233 CD1 LEU A 42 -0.536 3.965 -2.015 1.00 0.00 C ATOM 234 CD2 LEU A 42 -1.737 2.887 -0.102 1.00 0.00 C ATOM 0 H LEU A 42 -3.988 1.662 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.711 0.360 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.143 2.492 -3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.210 3.337 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.746 1.812 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.294 4.117 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.148 3.816 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.184 4.842 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.841 3.047 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.403 3.744 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.247 1.987 0.241 1.00 0.00 H new ATOM 235 N GLY A 43 -5.457 2.085 -1.269 1.00 0.00 N ATOM 236 CA GLY A 43 -6.564 2.086 -0.282 1.00 0.00 C ATOM 237 C GLY A 43 -7.315 0.736 -0.108 1.00 0.00 C ATOM 238 O GLY A 43 -7.606 0.368 1.032 1.00 0.00 O ATOM 0 H GLY A 43 -5.579 2.759 -2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.162 2.384 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.287 2.847 -0.575 1.00 0.00 H new ATOM 239 N THR A 44 -7.593 -0.007 -1.208 1.00 0.00 N ATOM 240 CA THR A 44 -8.250 -1.352 -1.145 1.00 0.00 C ATOM 241 C THR A 44 -7.443 -2.399 -0.291 1.00 0.00 C ATOM 242 O THR A 44 -8.010 -2.988 0.633 1.00 0.00 O ATOM 243 CB THR A 44 -8.500 -1.894 -2.593 1.00 0.00 C ATOM 244 OG1 THR A 44 -9.157 -3.154 -2.547 1.00 0.00 O ATOM 245 CG2 THR A 44 -7.245 -2.144 -3.457 1.00 0.00 C ATOM 0 H THR A 44 -7.374 0.298 -2.157 1.00 0.00 H new ATOM 0 HA THR A 44 -9.203 -1.215 -0.635 1.00 0.00 H new ATOM 0 HB THR A 44 -9.083 -1.092 -3.047 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.307 -3.478 -3.460 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.546 -2.517 -4.436 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.695 -1.211 -3.578 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.607 -2.881 -2.968 1.00 0.00 H new ATOM 246 N VAL A 45 -6.141 -2.601 -0.587 1.00 0.00 N ATOM 247 CA VAL A 45 -5.228 -3.482 0.201 1.00 0.00 C ATOM 248 C VAL A 45 -5.101 -3.074 1.709 1.00 0.00 C ATOM 249 O VAL A 45 -5.167 -3.953 2.570 1.00 0.00 O ATOM 250 CB VAL A 45 -3.829 -3.604 -0.483 1.00 0.00 C ATOM 251 CG1 VAL A 45 -3.869 -4.373 -1.822 1.00 0.00 C ATOM 252 CG2 VAL A 45 -2.979 -2.328 -0.648 1.00 0.00 C ATOM 0 H VAL A 45 -5.683 -2.158 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.694 -4.467 0.205 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.304 -4.182 0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.865 -4.421 -2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.240 -5.384 -1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.531 -3.857 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.039 -2.578 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.523 -1.604 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.773 -1.899 0.332 1.00 0.00 H new ATOM 253 N MET A 46 -4.954 -1.767 2.019 1.00 0.00 N ATOM 254 CA MET A 46 -5.010 -1.238 3.421 1.00 0.00 C ATOM 255 C MET A 46 -6.308 -1.659 4.199 1.00 0.00 C ATOM 256 O MET A 46 -6.183 -2.092 5.347 1.00 0.00 O ATOM 257 CB MET A 46 -4.858 0.308 3.428 1.00 0.00 C ATOM 258 CG MET A 46 -3.426 0.817 3.199 1.00 0.00 C ATOM 259 SD MET A 46 -3.425 2.621 3.256 1.00 0.00 S ATOM 260 CE MET A 46 -1.695 2.952 3.645 1.00 0.00 C ATOM 0 H MET A 46 -4.794 -1.044 1.317 1.00 0.00 H new ATOM 0 HA MET A 46 -4.171 -1.692 3.949 1.00 0.00 H new ATOM 0 HB2 MET A 46 -5.505 0.726 2.656 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.215 0.690 4.384 1.00 0.00 H new ATOM 0 HG2 MET A 46 -2.758 0.416 3.961 1.00 0.00 H new ATOM 0 HG3 MET A 46 -3.053 0.471 2.235 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.537 4.028 3.713 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.441 2.487 4.597 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.060 2.541 2.860 1.00 0.00 H new ATOM 261 N ARG A 47 -7.518 -1.580 3.590 1.00 0.00 N ATOM 262 CA ARG A 47 -8.782 -2.107 4.197 1.00 0.00 C ATOM 263 C ARG A 47 -8.743 -3.653 4.469 1.00 0.00 C ATOM 264 O ARG A 47 -9.117 -4.074 5.567 1.00 0.00 O ATOM 265 CB ARG A 47 -10.011 -1.795 3.295 1.00 0.00 C ATOM 266 CG ARG A 47 -10.376 -0.308 3.108 1.00 0.00 C ATOM 267 CD ARG A 47 -11.579 -0.121 2.162 1.00 0.00 C ATOM 268 NE ARG A 47 -11.885 1.311 1.913 1.00 0.00 N ATOM 269 CZ ARG A 47 -11.548 2.000 0.803 1.00 0.00 C ATOM 270 NH1 ARG A 47 -10.870 1.484 -0.220 1.00 0.00 N ATOM 271 NH2 ARG A 47 -11.910 3.267 0.726 1.00 0.00 N ATOM 0 H ARG A 47 -7.652 -1.155 2.673 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.875 -1.597 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.828 -2.226 2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.878 -2.308 3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.606 0.133 4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.515 0.229 2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.372 -0.616 1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.455 -0.608 2.591 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.392 1.815 2.641 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.572 0.509 -0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.649 2.064 -1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.429 3.697 1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.671 3.816 -0.099 1.00 0.00 H new ATOM 272 N MET A 48 -8.285 -4.476 3.493 1.00 0.00 N ATOM 273 CA MET A 48 -8.128 -5.955 3.641 1.00 0.00 C ATOM 274 C MET A 48 -7.200 -6.405 4.825 1.00 0.00 C ATOM 275 O MET A 48 -7.564 -7.337 5.548 1.00 0.00 O ATOM 276 CB MET A 48 -7.624 -6.489 2.268 1.00 0.00 C ATOM 277 CG MET A 48 -7.560 -8.018 2.115 1.00 0.00 C ATOM 278 SD MET A 48 -6.929 -8.412 0.471 1.00 0.00 S ATOM 279 CE MET A 48 -6.652 -10.188 0.621 1.00 0.00 C ATOM 0 H MET A 48 -8.011 -4.135 2.572 1.00 0.00 H new ATOM 0 HA MET A 48 -9.093 -6.384 3.911 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.274 -6.094 1.487 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.628 -6.085 2.088 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.913 -8.447 2.880 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.550 -8.453 2.254 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.228 -10.570 -0.308 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.961 -10.380 1.442 1.00 0.00 H new ATOM 0 HE3 MET A 48 -7.600 -10.689 0.820 1.00 0.00 H new ATOM 280 N LEU A 49 -6.035 -5.753 5.019 1.00 0.00 N ATOM 281 CA LEU A 49 -5.083 -6.058 6.122 1.00 0.00 C ATOM 282 C LEU A 49 -5.635 -5.530 7.488 1.00 0.00 C ATOM 283 O LEU A 49 -6.090 -6.345 8.296 1.00 0.00 O ATOM 284 CB LEU A 49 -3.684 -5.473 5.743 1.00 0.00 C ATOM 285 CG LEU A 49 -2.702 -6.319 4.892 1.00 0.00 C ATOM 286 CD1 LEU A 49 -2.063 -7.460 5.702 1.00 0.00 C ATOM 287 CD2 LEU A 49 -3.256 -6.835 3.553 1.00 0.00 C ATOM 0 H LEU A 49 -5.721 -4.994 4.414 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.969 -7.134 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.856 -4.538 5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.174 -5.220 6.673 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.926 -5.605 4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.383 -8.024 5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.508 -7.043 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.844 -8.123 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.488 -7.413 3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.124 -7.468 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.550 -5.990 2.931 1.00 0.00 H new ATOM 288 N GLY A 50 -5.608 -4.206 7.736 1.00 0.00 N ATOM 289 CA GLY A 50 -6.131 -3.615 8.988 1.00 0.00 C ATOM 290 C GLY A 50 -5.674 -2.156 9.174 1.00 0.00 C ATOM 291 O GLY A 50 -4.834 -1.878 10.035 1.00 0.00 O ATOM 0 H GLY A 50 -5.228 -3.521 7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.220 -3.655 8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.796 -4.211 9.837 1.00 0.00 H new ATOM 292 N GLN A 51 -6.237 -1.240 8.365 1.00 0.00 N ATOM 293 CA GLN A 51 -5.912 0.209 8.403 1.00 0.00 C ATOM 294 C GLN A 51 -6.984 0.929 7.543 1.00 0.00 C ATOM 295 O GLN A 51 -7.153 0.625 6.356 1.00 0.00 O ATOM 296 CB GLN A 51 -4.482 0.514 7.861 1.00 0.00 C ATOM 297 CG GLN A 51 -3.996 1.983 7.918 1.00 0.00 C ATOM 298 CD GLN A 51 -3.695 2.521 9.327 1.00 0.00 C ATOM 299 OE1 GLN A 51 -2.586 2.383 9.841 1.00 0.00 O ATOM 300 NE2 GLN A 51 -4.660 3.159 9.974 1.00 0.00 N ATOM 0 H GLN A 51 -6.935 -1.479 7.661 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.920 0.560 9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.773 -0.097 8.419 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.438 0.185 6.823 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.095 2.074 7.312 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.754 2.617 7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.577 3.270 9.542 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.485 3.539 10.904 1.00 0.00 H new ATOM 301 N ASN A 52 -7.669 1.922 8.137 1.00 0.00 N ATOM 302 CA ASN A 52 -8.696 2.727 7.449 1.00 0.00 C ATOM 303 C ASN A 52 -8.014 3.801 6.514 1.00 0.00 C ATOM 304 O ASN A 52 -7.244 4.614 7.040 1.00 0.00 O ATOM 305 CB ASN A 52 -9.589 3.283 8.607 1.00 0.00 C ATOM 306 CG ASN A 52 -9.181 4.538 9.406 1.00 0.00 C ATOM 307 OD1 ASN A 52 -9.380 5.676 8.982 1.00 0.00 O ATOM 308 ND2 ASN A 52 -8.602 4.336 10.577 1.00 0.00 N ATOM 0 H ASN A 52 -7.526 2.190 9.111 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.327 2.173 6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.572 3.484 8.181 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.713 2.475 9.328 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.312 5.131 11.146 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.446 3.385 10.911 1.00 0.00 H new ATOM 309 N PRO A 53 -8.255 3.861 5.169 1.00 0.00 N ATOM 310 CA PRO A 53 -7.633 4.882 4.285 1.00 0.00 C ATOM 311 C PRO A 53 -8.424 6.226 4.317 1.00 0.00 C ATOM 312 O PRO A 53 -9.348 6.457 3.531 1.00 0.00 O ATOM 313 CB PRO A 53 -7.629 4.160 2.926 1.00 0.00 C ATOM 314 CG PRO A 53 -8.865 3.262 2.952 1.00 0.00 C ATOM 315 CD PRO A 53 -8.983 2.823 4.412 1.00 0.00 C ATOM 0 HA PRO A 53 -6.632 5.201 4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.675 4.871 2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.719 3.575 2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.755 3.800 2.625 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.749 2.406 2.287 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.025 2.761 4.725 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.544 1.837 4.567 1.00 0.00 H new ATOM 316 N THR A 54 -8.036 7.099 5.261 1.00 0.00 N ATOM 317 CA THR A 54 -8.680 8.433 5.473 1.00 0.00 C ATOM 318 C THR A 54 -8.119 9.483 4.460 1.00 0.00 C ATOM 319 O THR A 54 -7.094 9.263 3.805 1.00 0.00 O ATOM 320 CB THR A 54 -8.459 8.913 6.947 1.00 0.00 C ATOM 321 OG1 THR A 54 -9.100 10.163 7.165 1.00 0.00 O ATOM 322 CG2 THR A 54 -6.995 9.149 7.378 1.00 0.00 C ATOM 0 H THR A 54 -7.268 6.912 5.906 1.00 0.00 H new ATOM 0 HA THR A 54 -9.751 8.333 5.298 1.00 0.00 H new ATOM 0 HB THR A 54 -8.865 8.085 7.528 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.954 10.448 8.091 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.970 9.478 8.417 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.432 8.221 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.548 9.915 6.744 1.00 0.00 H new ATOM 323 N LYS A 55 -8.796 10.643 4.334 1.00 0.00 N ATOM 324 CA LYS A 55 -8.337 11.771 3.463 1.00 0.00 C ATOM 325 C LYS A 55 -6.898 12.301 3.792 1.00 0.00 C ATOM 326 O LYS A 55 -6.105 12.471 2.863 1.00 0.00 O ATOM 327 CB LYS A 55 -9.406 12.903 3.442 1.00 0.00 C ATOM 328 CG LYS A 55 -9.736 13.632 4.771 1.00 0.00 C ATOM 329 CD LYS A 55 -10.898 14.649 4.705 1.00 0.00 C ATOM 330 CE LYS A 55 -10.600 16.006 4.032 1.00 0.00 C ATOM 331 NZ LYS A 55 -10.611 15.955 2.558 1.00 0.00 N ATOM 0 H LYS A 55 -9.670 10.834 4.824 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.239 11.367 2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.079 13.655 2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.333 12.477 3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.975 12.883 5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.841 14.152 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.728 14.182 4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.238 14.842 5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.337 16.736 4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.625 16.361 4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.861 16.891 2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.668 15.683 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.311 15.255 2.240 1.00 0.00 H new ATOM 332 N GLU A 56 -6.550 12.504 5.083 1.00 0.00 N ATOM 333 CA GLU A 56 -5.177 12.891 5.516 1.00 0.00 C ATOM 334 C GLU A 56 -4.112 11.769 5.260 1.00 0.00 C ATOM 335 O GLU A 56 -3.028 12.091 4.767 1.00 0.00 O ATOM 336 CB GLU A 56 -5.248 13.311 7.011 1.00 0.00 C ATOM 337 CG GLU A 56 -3.971 13.989 7.555 1.00 0.00 C ATOM 338 CD GLU A 56 -4.097 14.392 9.026 1.00 0.00 C ATOM 339 OE1 GLU A 56 -4.639 15.643 9.177 1.00 0.00 O ATOM 340 OE2 GLU A 56 -3.749 13.668 9.958 1.00 0.00 O ATOM 0 H GLU A 56 -7.207 12.406 5.857 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.835 13.731 4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.088 13.992 7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.457 12.427 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.127 13.309 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.752 14.874 6.958 1.00 0.00 H new ATOM 341 N GLU A 57 -4.412 10.484 5.569 1.00 0.00 N ATOM 342 CA GLU A 57 -3.506 9.330 5.293 1.00 0.00 C ATOM 343 C GLU A 57 -3.209 9.148 3.768 1.00 0.00 C ATOM 344 O GLU A 57 -2.036 9.162 3.392 1.00 0.00 O ATOM 345 CB GLU A 57 -4.135 8.063 5.939 1.00 0.00 C ATOM 346 CG GLU A 57 -3.226 6.815 5.952 1.00 0.00 C ATOM 347 CD GLU A 57 -3.923 5.596 6.563 1.00 0.00 C ATOM 348 OE1 GLU A 57 -4.195 5.502 7.759 1.00 0.00 O ATOM 349 OE2 GLU A 57 -4.203 4.632 5.629 1.00 0.00 O ATOM 0 H GLU A 57 -5.288 10.213 6.017 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.529 9.518 5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.417 8.299 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.053 7.819 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.918 6.582 4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.320 7.034 6.517 1.00 0.00 H new ATOM 350 N LEU A 58 -4.243 9.023 2.905 1.00 0.00 N ATOM 351 CA LEU A 58 -4.082 8.915 1.425 1.00 0.00 C ATOM 352 C LEU A 58 -3.285 10.102 0.798 1.00 0.00 C ATOM 353 O LEU A 58 -2.313 9.825 0.092 1.00 0.00 O ATOM 354 CB LEU A 58 -5.477 8.770 0.746 1.00 0.00 C ATOM 355 CG LEU A 58 -6.227 7.423 0.955 1.00 0.00 C ATOM 356 CD1 LEU A 58 -7.698 7.555 0.513 1.00 0.00 C ATOM 357 CD2 LEU A 58 -5.553 6.246 0.215 1.00 0.00 C ATOM 0 H LEU A 58 -5.216 8.993 3.209 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.487 8.021 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.116 9.574 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.350 8.924 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.184 7.198 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.210 6.605 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.187 8.330 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.738 7.824 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.118 5.331 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.531 6.454 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.534 6.121 0.582 1.00 0.00 H new ATOM 358 N ASP A 59 -3.640 11.380 1.088 1.00 0.00 N ATOM 359 CA ASP A 59 -2.883 12.581 0.615 1.00 0.00 C ATOM 360 C ASP A 59 -1.369 12.552 0.995 1.00 0.00 C ATOM 361 O ASP A 59 -0.512 12.656 0.115 1.00 0.00 O ATOM 362 CB ASP A 59 -3.559 13.860 1.186 1.00 0.00 C ATOM 363 CG ASP A 59 -3.211 15.140 0.411 1.00 0.00 C ATOM 364 OD1 ASP A 59 -2.235 15.844 0.668 1.00 0.00 O ATOM 365 OD2 ASP A 59 -4.104 15.393 -0.598 1.00 0.00 O ATOM 0 H ASP A 59 -4.456 11.613 1.654 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.917 12.580 -0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.640 13.723 1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.261 13.984 2.227 1.00 0.00 H new ATOM 366 N ALA A 60 -1.074 12.380 2.296 1.00 0.00 N ATOM 367 CA ALA A 60 0.318 12.256 2.812 1.00 0.00 C ATOM 368 C ALA A 60 1.184 11.076 2.273 1.00 0.00 C ATOM 369 O ALA A 60 2.404 11.224 2.176 1.00 0.00 O ATOM 370 CB ALA A 60 0.249 12.196 4.350 1.00 0.00 C ATOM 0 H ALA A 60 -1.786 12.322 3.024 1.00 0.00 H new ATOM 0 HA ALA A 60 0.841 13.135 2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.256 12.105 4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.214 13.107 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.344 11.334 4.654 1.00 0.00 H new ATOM 371 N ILE A 61 0.565 9.938 1.920 1.00 0.00 N ATOM 372 CA ILE A 61 1.271 8.739 1.380 1.00 0.00 C ATOM 373 C ILE A 61 1.590 8.920 -0.143 1.00 0.00 C ATOM 374 O ILE A 61 2.764 8.762 -0.474 1.00 0.00 O ATOM 375 CB ILE A 61 0.500 7.421 1.806 1.00 0.00 C ATOM 376 CG1 ILE A 61 0.994 6.857 3.179 1.00 0.00 C ATOM 377 CG2 ILE A 61 0.623 6.241 0.803 1.00 0.00 C ATOM 378 CD1 ILE A 61 0.777 7.723 4.429 1.00 0.00 C ATOM 0 H ILE A 61 -0.444 9.812 1.997 1.00 0.00 H new ATOM 0 HA ILE A 61 2.259 8.625 1.827 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.535 7.760 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.500 5.900 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.062 6.654 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.064 5.384 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.220 6.542 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.672 5.968 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.169 7.204 5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.297 8.673 4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.289 7.907 4.564 1.00 0.00 H new ATOM 379 N ILE A 62 0.646 9.226 -1.068 1.00 0.00 N ATOM 380 CA ILE A 62 0.994 9.356 -2.530 1.00 0.00 C ATOM 381 C ILE A 62 1.843 10.637 -2.868 1.00 0.00 C ATOM 382 O ILE A 62 2.685 10.568 -3.769 1.00 0.00 O ATOM 383 CB ILE A 62 -0.208 9.152 -3.534 1.00 0.00 C ATOM 384 CG1 ILE A 62 -1.116 10.378 -3.862 1.00 0.00 C ATOM 385 CG2 ILE A 62 -1.072 7.915 -3.173 1.00 0.00 C ATOM 386 CD1 ILE A 62 -1.978 10.972 -2.745 1.00 0.00 C ATOM 0 H ILE A 62 -0.338 9.386 -0.850 1.00 0.00 H new ATOM 0 HA ILE A 62 1.643 8.497 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 62 0.328 8.985 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.474 11.173 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.782 10.089 -4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.885 7.817 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.453 7.018 -3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.486 8.040 -2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.548 11.815 -3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.664 10.212 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.336 11.313 -1.932 1.00 0.00 H new ATOM 387 N GLU A 63 1.642 11.772 -2.162 1.00 0.00 N ATOM 388 CA GLU A 63 2.431 13.024 -2.354 1.00 0.00 C ATOM 389 C GLU A 63 3.920 12.923 -1.895 1.00 0.00 C ATOM 390 O GLU A 63 4.817 13.339 -2.634 1.00 0.00 O ATOM 391 CB GLU A 63 1.655 14.174 -1.653 1.00 0.00 C ATOM 392 CG GLU A 63 2.149 15.602 -1.969 1.00 0.00 C ATOM 393 CD GLU A 63 1.314 16.669 -1.256 1.00 0.00 C ATOM 394 OE1 GLU A 63 1.780 16.934 0.007 1.00 0.00 O ATOM 395 OE2 GLU A 63 0.335 17.216 -1.763 1.00 0.00 O ATOM 0 H GLU A 63 0.927 11.853 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 63 2.522 13.224 -3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.604 14.102 -1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.709 14.020 -0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.193 15.699 -1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.109 15.770 -3.045 1.00 0.00 H new ATOM 396 N GLU A 64 4.159 12.375 -0.694 1.00 0.00 N ATOM 397 CA GLU A 64 5.528 12.151 -0.145 1.00 0.00 C ATOM 398 C GLU A 64 6.200 10.902 -0.800 1.00 0.00 C ATOM 399 O GLU A 64 7.285 11.037 -1.373 1.00 0.00 O ATOM 400 CB GLU A 64 5.441 12.070 1.408 1.00 0.00 C ATOM 401 CG GLU A 64 6.772 12.181 2.189 1.00 0.00 C ATOM 402 CD GLU A 64 7.616 10.901 2.226 1.00 0.00 C ATOM 403 OE1 GLU A 64 7.142 9.994 3.140 1.00 0.00 O ATOM 404 OE2 GLU A 64 8.602 10.717 1.514 1.00 0.00 O ATOM 0 H GLU A 64 3.415 12.070 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 64 6.178 12.990 -0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.778 12.863 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.970 11.123 1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.369 12.978 1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.550 12.480 3.213 1.00 0.00 H new ATOM 405 N VAL A 65 5.565 9.713 -0.719 1.00 0.00 N ATOM 406 CA VAL A 65 6.077 8.455 -1.329 1.00 0.00 C ATOM 407 C VAL A 65 5.466 8.427 -2.765 1.00 0.00 C ATOM 408 O VAL A 65 4.278 8.143 -2.947 1.00 0.00 O ATOM 409 CB VAL A 65 5.703 7.211 -0.446 1.00 0.00 C ATOM 410 CG1 VAL A 65 6.236 5.893 -1.040 1.00 0.00 C ATOM 411 CG2 VAL A 65 6.210 7.310 1.015 1.00 0.00 C ATOM 0 H VAL A 65 4.679 9.592 -0.228 1.00 0.00 H new ATOM 0 HA VAL A 65 7.165 8.416 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 65 4.613 7.210 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.952 5.062 -0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.811 5.743 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.322 5.940 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.915 6.416 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.297 7.395 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.776 8.189 1.492 1.00 0.00 H new ATOM 412 N ASP A 66 6.306 8.733 -3.769 1.00 0.00 N ATOM 413 CA ASP A 66 5.900 8.916 -5.179 1.00 0.00 C ATOM 414 C ASP A 66 5.183 7.722 -5.884 1.00 0.00 C ATOM 415 O ASP A 66 5.224 6.573 -5.436 1.00 0.00 O ATOM 416 CB ASP A 66 7.202 9.365 -5.912 1.00 0.00 C ATOM 417 CG ASP A 66 8.297 8.303 -6.155 1.00 0.00 C ATOM 418 OD1 ASP A 66 8.059 7.559 -7.284 1.00 0.00 O ATOM 419 OD2 ASP A 66 9.267 8.148 -5.414 1.00 0.00 O ATOM 0 H ASP A 66 7.307 8.863 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 66 5.100 9.656 -5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.916 9.778 -6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.646 10.178 -5.337 1.00 0.00 H new ATOM 420 N GLU A 67 4.530 8.052 -7.010 1.00 0.00 N ATOM 421 CA GLU A 67 3.843 7.080 -7.887 1.00 0.00 C ATOM 422 C GLU A 67 4.784 6.871 -9.104 1.00 0.00 C ATOM 423 O GLU A 67 5.121 7.814 -9.831 1.00 0.00 O ATOM 424 CB GLU A 67 2.454 7.609 -8.343 1.00 0.00 C ATOM 425 CG GLU A 67 1.389 7.856 -7.248 1.00 0.00 C ATOM 426 CD GLU A 67 0.937 6.605 -6.488 1.00 0.00 C ATOM 427 OE1 GLU A 67 0.141 5.783 -6.941 1.00 0.00 O ATOM 428 OE2 GLU A 67 1.516 6.517 -5.248 1.00 0.00 O ATOM 0 H GLU A 67 4.461 9.013 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 67 3.651 6.144 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.610 8.546 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.042 6.898 -9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.787 8.574 -6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.516 8.317 -7.709 1.00 0.00 H new ATOM 429 N ASP A 68 5.189 5.607 -9.298 1.00 0.00 N ATOM 430 CA ASP A 68 6.115 5.152 -10.381 1.00 0.00 C ATOM 431 C ASP A 68 5.800 5.705 -11.814 1.00 0.00 C ATOM 432 O ASP A 68 6.696 6.278 -12.440 1.00 0.00 O ATOM 433 CB ASP A 68 6.139 3.594 -10.332 1.00 0.00 C ATOM 434 CG ASP A 68 7.320 2.954 -11.074 1.00 0.00 C ATOM 435 OD1 ASP A 68 8.422 2.771 -10.559 1.00 0.00 O ATOM 436 OD2 ASP A 68 7.001 2.609 -12.363 1.00 0.00 O ATOM 0 H ASP A 68 4.881 4.842 -8.697 1.00 0.00 H new ATOM 0 HA ASP A 68 7.102 5.572 -10.187 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.165 3.276 -9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.210 3.215 -10.758 1.00 0.00 H new ATOM 437 N GLY A 69 4.553 5.551 -12.300 1.00 0.00 N ATOM 438 CA GLY A 69 4.111 6.131 -13.589 1.00 0.00 C ATOM 439 C GLY A 69 3.289 7.406 -13.317 1.00 0.00 C ATOM 440 O GLY A 69 3.849 8.421 -12.888 1.00 0.00 O ATOM 0 H GLY A 69 3.826 5.025 -11.816 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.975 6.367 -14.210 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.510 5.407 -14.140 1.00 0.00 H new ATOM 441 N SER A 70 1.969 7.337 -13.561 1.00 0.00 N ATOM 442 CA SER A 70 1.024 8.451 -13.265 1.00 0.00 C ATOM 443 C SER A 70 0.386 8.184 -11.867 1.00 0.00 C ATOM 444 O SER A 70 0.751 8.866 -10.905 1.00 0.00 O ATOM 445 CB SER A 70 0.025 8.598 -14.438 1.00 0.00 C ATOM 446 OG SER A 70 -0.851 9.697 -14.216 1.00 0.00 O ATOM 0 H SER A 70 1.519 6.516 -13.967 1.00 0.00 H new ATOM 0 HA SER A 70 1.519 9.420 -13.194 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.570 8.743 -15.371 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.554 7.681 -14.547 1.00 0.00 H new ATOM 0 HG SER A 70 -1.474 9.776 -14.968 1.00 0.00 H new ATOM 447 N GLY A 71 -0.531 7.201 -11.757 1.00 0.00 N ATOM 448 CA GLY A 71 -1.094 6.752 -10.463 1.00 0.00 C ATOM 449 C GLY A 71 -0.903 5.229 -10.358 1.00 0.00 C ATOM 450 O GLY A 71 -1.854 4.473 -10.575 1.00 0.00 O ATOM 0 H GLY A 71 -0.903 6.695 -12.561 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.594 7.256 -9.636 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.152 7.008 -10.399 1.00 0.00 H new ATOM 451 N THR A 72 0.333 4.797 -10.041 1.00 0.00 N ATOM 452 CA THR A 72 0.718 3.363 -10.024 1.00 0.00 C ATOM 453 C THR A 72 1.887 3.226 -9.004 1.00 0.00 C ATOM 454 O THR A 72 3.046 3.492 -9.329 1.00 0.00 O ATOM 455 CB THR A 72 1.160 2.867 -11.442 1.00 0.00 C ATOM 456 OG1 THR A 72 1.908 3.874 -12.111 1.00 0.00 O ATOM 457 CG2 THR A 72 0.026 2.509 -12.426 1.00 0.00 C ATOM 0 H THR A 72 1.095 5.427 -9.789 1.00 0.00 H new ATOM 0 HA THR A 72 -0.133 2.746 -9.736 1.00 0.00 H new ATOM 0 HB THR A 72 1.721 1.961 -11.211 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.178 3.548 -12.995 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.456 2.179 -13.372 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.582 1.708 -12.005 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.598 3.386 -12.597 1.00 0.00 H new ATOM 458 N ILE A 73 1.564 2.806 -7.767 1.00 0.00 N ATOM 459 CA ILE A 73 2.552 2.603 -6.665 1.00 0.00 C ATOM 460 C ILE A 73 3.246 1.205 -6.792 1.00 0.00 C ATOM 461 O ILE A 73 2.568 0.209 -7.062 1.00 0.00 O ATOM 462 CB ILE A 73 1.814 2.814 -5.285 1.00 0.00 C ATOM 463 CG1 ILE A 73 2.780 2.874 -4.066 1.00 0.00 C ATOM 464 CG2 ILE A 73 0.732 1.736 -4.983 1.00 0.00 C ATOM 465 CD1 ILE A 73 3.748 4.063 -4.019 1.00 0.00 C ATOM 0 H ILE A 73 0.605 2.593 -7.491 1.00 0.00 H new ATOM 0 HA ILE A 73 3.357 3.335 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 73 1.331 3.783 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.181 2.886 -3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.367 1.955 -4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.268 1.946 -4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.028 1.755 -5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.198 0.751 -4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.367 3.993 -3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.385 4.049 -4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.181 4.993 -3.995 1.00 0.00 H new ATOM 466 N ASP A 74 4.574 1.128 -6.565 1.00 0.00 N ATOM 467 CA ASP A 74 5.326 -0.163 -6.628 1.00 0.00 C ATOM 468 C ASP A 74 5.816 -0.632 -5.226 1.00 0.00 C ATOM 469 O ASP A 74 6.062 0.172 -4.322 1.00 0.00 O ATOM 470 CB ASP A 74 6.438 -0.097 -7.702 1.00 0.00 C ATOM 471 CG ASP A 74 7.723 0.681 -7.364 1.00 0.00 C ATOM 472 OD1 ASP A 74 7.584 2.030 -7.559 1.00 0.00 O ATOM 473 OD2 ASP A 74 8.750 0.142 -6.951 1.00 0.00 O ATOM 0 H ASP A 74 5.154 1.935 -6.337 1.00 0.00 H new ATOM 0 HA ASP A 74 4.639 -0.946 -6.949 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.722 -1.119 -7.952 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.008 0.343 -8.602 1.00 0.00 H new ATOM 474 N PHE A 75 6.002 -1.961 -5.106 1.00 0.00 N ATOM 475 CA PHE A 75 6.267 -2.670 -3.828 1.00 0.00 C ATOM 476 C PHE A 75 7.521 -2.297 -2.984 1.00 0.00 C ATOM 477 O PHE A 75 7.482 -2.536 -1.778 1.00 0.00 O ATOM 478 CB PHE A 75 6.289 -4.181 -4.159 1.00 0.00 C ATOM 479 CG PHE A 75 5.936 -5.139 -3.001 1.00 0.00 C ATOM 480 CD1 PHE A 75 4.696 -5.025 -2.363 1.00 0.00 C ATOM 481 CD2 PHE A 75 6.799 -6.173 -2.626 1.00 0.00 C ATOM 482 CE1 PHE A 75 4.315 -5.926 -1.381 1.00 0.00 C ATOM 483 CE2 PHE A 75 6.417 -7.082 -1.639 1.00 0.00 C ATOM 484 CZ PHE A 75 5.172 -6.956 -1.026 1.00 0.00 C ATOM 0 H PHE A 75 5.973 -2.589 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 75 5.466 -2.346 -3.163 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.593 -4.362 -4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.284 -4.437 -4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.026 -4.224 -2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.764 -6.268 -3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.356 -5.826 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 75 7.084 -7.881 -1.351 1.00 0.00 H new ATOM 0 HZ PHE A 75 4.873 -7.666 -0.269 1.00 0.00 H new ATOM 485 N GLU A 76 8.611 -1.751 -3.555 1.00 0.00 N ATOM 486 CA GLU A 76 9.825 -1.351 -2.772 1.00 0.00 C ATOM 487 C GLU A 76 9.496 -0.186 -1.780 1.00 0.00 C ATOM 488 O GLU A 76 9.465 -0.399 -0.561 1.00 0.00 O ATOM 489 CB GLU A 76 11.002 -1.023 -3.736 1.00 0.00 C ATOM 490 CG GLU A 76 11.562 -2.229 -4.523 1.00 0.00 C ATOM 491 CD GLU A 76 12.702 -1.836 -5.465 1.00 0.00 C ATOM 492 OE1 GLU A 76 13.928 -1.897 -4.852 1.00 0.00 O ATOM 493 OE2 GLU A 76 12.528 -1.503 -6.637 1.00 0.00 O ATOM 0 H GLU A 76 8.689 -1.571 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 76 10.146 -2.189 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.668 -0.268 -4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.812 -0.579 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.919 -2.983 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.759 -2.686 -5.101 1.00 0.00 H new ATOM 494 N GLU A 77 9.183 1.009 -2.316 1.00 0.00 N ATOM 495 CA GLU A 77 8.721 2.182 -1.516 1.00 0.00 C ATOM 496 C GLU A 77 7.379 1.950 -0.727 1.00 0.00 C ATOM 497 O GLU A 77 7.259 2.399 0.418 1.00 0.00 O ATOM 498 CB GLU A 77 8.692 3.418 -2.459 1.00 0.00 C ATOM 499 CG GLU A 77 7.650 3.441 -3.608 1.00 0.00 C ATOM 500 CD GLU A 77 7.693 4.711 -4.466 1.00 0.00 C ATOM 501 OE1 GLU A 77 7.887 5.838 -4.010 1.00 0.00 O ATOM 502 OE2 GLU A 77 7.462 4.449 -5.792 1.00 0.00 O ATOM 0 H GLU A 77 9.240 1.199 -3.317 1.00 0.00 H new ATOM 0 HA GLU A 77 9.430 2.356 -0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.528 4.302 -1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.681 3.519 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.814 2.576 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.652 3.337 -3.182 1.00 0.00 H new ATOM 503 N PHE A 78 6.413 1.216 -1.326 1.00 0.00 N ATOM 504 CA PHE A 78 5.158 0.743 -0.674 1.00 0.00 C ATOM 505 C PHE A 78 5.407 -0.094 0.621 1.00 0.00 C ATOM 506 O PHE A 78 4.820 0.227 1.652 1.00 0.00 O ATOM 507 CB PHE A 78 4.417 -0.078 -1.770 1.00 0.00 C ATOM 508 CG PHE A 78 3.148 -0.857 -1.389 1.00 0.00 C ATOM 509 CD1 PHE A 78 3.245 -2.146 -0.847 1.00 0.00 C ATOM 510 CD2 PHE A 78 1.888 -0.295 -1.598 1.00 0.00 C ATOM 511 CE1 PHE A 78 2.101 -2.814 -0.426 1.00 0.00 C ATOM 512 CE2 PHE A 78 0.741 -0.968 -1.184 1.00 0.00 C ATOM 513 CZ PHE A 78 0.852 -2.221 -0.583 1.00 0.00 C ATOM 0 H PHE A 78 6.481 0.926 -2.301 1.00 0.00 H new ATOM 0 HA PHE A 78 4.564 1.586 -0.321 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.152 0.610 -2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.129 -0.792 -2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.211 -2.621 -0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.802 0.666 -2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.182 -3.793 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.231 -0.521 -1.328 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.034 -2.733 -0.238 1.00 0.00 H new ATOM 514 N LEU A 79 6.242 -1.155 0.566 1.00 0.00 N ATOM 515 CA LEU A 79 6.559 -2.012 1.742 1.00 0.00 C ATOM 516 C LEU A 79 7.335 -1.259 2.868 1.00 0.00 C ATOM 517 O LEU A 79 7.075 -1.542 4.037 1.00 0.00 O ATOM 518 CB LEU A 79 7.306 -3.277 1.233 1.00 0.00 C ATOM 519 CG LEU A 79 7.432 -4.478 2.211 1.00 0.00 C ATOM 520 CD1 LEU A 79 6.072 -5.150 2.504 1.00 0.00 C ATOM 521 CD2 LEU A 79 8.420 -5.518 1.647 1.00 0.00 C ATOM 0 H LEU A 79 6.716 -1.445 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 79 5.628 -2.309 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.800 -3.627 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.311 -2.978 0.937 1.00 0.00 H new ATOM 0 HG LEU A 79 7.807 -4.083 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.218 -5.982 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.396 -4.422 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.641 -5.520 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.501 -6.356 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.059 -5.878 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.399 -5.057 1.518 1.00 0.00 H new ATOM 522 N VAL A 80 8.233 -0.292 2.555 1.00 0.00 N ATOM 523 CA VAL A 80 8.894 0.566 3.589 1.00 0.00 C ATOM 524 C VAL A 80 7.834 1.431 4.369 1.00 0.00 C ATOM 525 O VAL A 80 7.830 1.366 5.602 1.00 0.00 O ATOM 526 CB VAL A 80 10.053 1.407 2.939 1.00 0.00 C ATOM 527 CG1 VAL A 80 10.713 2.426 3.902 1.00 0.00 C ATOM 528 CG2 VAL A 80 11.191 0.526 2.365 1.00 0.00 C ATOM 0 H VAL A 80 8.520 -0.082 1.599 1.00 0.00 H new ATOM 0 HA VAL A 80 9.362 -0.067 4.343 1.00 0.00 H new ATOM 0 HB VAL A 80 9.543 1.944 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.502 2.965 3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.962 3.134 4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.140 1.897 4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.961 1.164 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.626 -0.074 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.788 -0.133 1.596 1.00 0.00 H new ATOM 529 N MET A 81 6.943 2.198 3.694 1.00 0.00 N ATOM 530 CA MET A 81 5.877 2.988 4.388 1.00 0.00 C ATOM 531 C MET A 81 4.739 2.140 5.059 1.00 0.00 C ATOM 532 O MET A 81 4.256 2.540 6.121 1.00 0.00 O ATOM 533 CB MET A 81 5.321 4.084 3.432 1.00 0.00 C ATOM 534 CG MET A 81 4.448 3.670 2.228 1.00 0.00 C ATOM 535 SD MET A 81 2.771 3.268 2.770 1.00 0.00 S ATOM 536 CE MET A 81 2.080 2.531 1.276 1.00 0.00 C ATOM 0 H MET A 81 6.935 2.291 2.678 1.00 0.00 H new ATOM 0 HA MET A 81 6.362 3.465 5.240 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.737 4.778 4.036 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.173 4.640 3.042 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.417 4.480 1.499 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.892 2.808 1.729 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.053 2.218 1.466 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.092 3.264 0.469 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.676 1.665 0.988 1.00 0.00 H new ATOM 537 N MET A 82 4.321 0.998 4.469 1.00 0.00 N ATOM 538 CA MET A 82 3.253 0.119 5.025 1.00 0.00 C ATOM 539 C MET A 82 3.711 -0.729 6.256 1.00 0.00 C ATOM 540 O MET A 82 2.913 -0.875 7.183 1.00 0.00 O ATOM 541 CB MET A 82 2.694 -0.766 3.876 1.00 0.00 C ATOM 542 CG MET A 82 1.315 -1.385 4.157 1.00 0.00 C ATOM 543 SD MET A 82 0.793 -2.351 2.726 1.00 0.00 S ATOM 544 CE MET A 82 -0.974 -2.542 3.040 1.00 0.00 C ATOM 0 H MET A 82 4.712 0.654 3.592 1.00 0.00 H new ATOM 0 HA MET A 82 2.461 0.755 5.421 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.629 -0.164 2.970 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.404 -1.569 3.675 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.362 -2.020 5.042 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.587 -0.601 4.366 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.426 -3.120 2.234 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.121 -3.062 3.986 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.443 -1.559 3.089 1.00 0.00 H new ATOM 545 N VAL A 83 4.952 -1.272 6.302 1.00 0.00 N ATOM 546 CA VAL A 83 5.480 -2.010 7.497 1.00 0.00 C ATOM 547 C VAL A 83 5.635 -1.048 8.730 1.00 0.00 C ATOM 548 O VAL A 83 5.188 -1.418 9.818 1.00 0.00 O ATOM 549 CB VAL A 83 6.810 -2.768 7.132 1.00 0.00 C ATOM 550 CG1 VAL A 83 7.538 -3.414 8.339 1.00 0.00 C ATOM 551 CG2 VAL A 83 6.600 -3.895 6.091 1.00 0.00 C ATOM 0 H VAL A 83 5.614 -1.217 5.528 1.00 0.00 H new ATOM 0 HA VAL A 83 4.757 -2.770 7.795 1.00 0.00 H new ATOM 0 HB VAL A 83 7.427 -1.968 6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.443 -3.914 7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.803 -2.641 9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.880 -4.142 8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.554 -4.379 5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.899 -4.630 6.487 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.199 -3.470 5.171 1.00 0.00 H new ATOM 552 N ARG A 84 6.236 0.153 8.575 1.00 0.00 N ATOM 553 CA ARG A 84 6.408 1.132 9.688 1.00 0.00 C ATOM 554 C ARG A 84 5.075 1.744 10.233 1.00 0.00 C ATOM 555 O ARG A 84 4.923 1.806 11.457 1.00 0.00 O ATOM 556 CB ARG A 84 7.387 2.259 9.250 1.00 0.00 C ATOM 557 CG ARG A 84 8.854 1.847 8.953 1.00 0.00 C ATOM 558 CD ARG A 84 9.649 1.187 10.102 1.00 0.00 C ATOM 559 NE ARG A 84 9.873 2.093 11.260 1.00 0.00 N ATOM 560 CZ ARG A 84 9.359 1.929 12.495 1.00 0.00 C ATOM 561 NH1 ARG A 84 8.572 0.916 12.852 1.00 0.00 N ATOM 562 NH2 ARG A 84 9.653 2.832 13.412 1.00 0.00 N ATOM 0 H ARG A 84 6.615 0.475 7.685 1.00 0.00 H new ATOM 0 HA ARG A 84 6.823 0.567 10.523 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.981 2.731 8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.401 3.018 10.032 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.847 1.158 8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.397 2.737 8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.114 0.300 10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.613 0.851 9.721 1.00 0.00 H new ATOM 0 HE ARG A 84 10.466 2.908 11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.322 0.200 12.170 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.219 0.856 13.807 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.252 3.623 13.175 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.281 2.739 14.357 1.00 0.00 H new ATOM 563 N GLN A 85 4.125 2.177 9.370 1.00 0.00 N ATOM 564 CA GLN A 85 2.812 2.734 9.811 1.00 0.00 C ATOM 565 C GLN A 85 1.896 1.604 10.388 1.00 0.00 C ATOM 566 O GLN A 85 1.679 1.575 11.603 1.00 0.00 O ATOM 567 CB GLN A 85 2.181 3.527 8.627 1.00 0.00 C ATOM 568 CG GLN A 85 0.860 4.259 8.969 1.00 0.00 C ATOM 569 CD GLN A 85 0.207 4.964 7.770 1.00 0.00 C ATOM 570 OE1 GLN A 85 0.364 6.168 7.572 1.00 0.00 O ATOM 571 NE2 GLN A 85 -0.550 4.239 6.958 1.00 0.00 N ATOM 0 H GLN A 85 4.240 2.153 8.357 1.00 0.00 H new ATOM 0 HA GLN A 85 2.945 3.437 10.634 1.00 0.00 H new ATOM 0 HB2 GLN A 85 2.905 4.260 8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.996 2.837 7.804 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.154 3.539 9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.056 4.996 9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.674 3.241 7.131 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -1.009 4.679 6.160 1.00 0.00 H new ATOM 572 N MET A 86 1.387 0.692 9.536 1.00 0.00 N ATOM 573 CA MET A 86 0.533 -0.449 9.963 1.00 0.00 C ATOM 574 C MET A 86 1.451 -1.690 10.166 1.00 0.00 C ATOM 575 O MET A 86 1.726 -2.446 9.230 1.00 0.00 O ATOM 576 CB MET A 86 -0.633 -0.641 8.948 1.00 0.00 C ATOM 577 CG MET A 86 -0.300 -0.868 7.455 1.00 0.00 C ATOM 578 SD MET A 86 -1.775 -0.699 6.432 1.00 0.00 S ATOM 579 CE MET A 86 -2.600 -2.274 6.714 1.00 0.00 C ATOM 0 H MET A 86 1.553 0.720 8.530 1.00 0.00 H new ATOM 0 HA MET A 86 0.042 -0.268 10.919 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.226 -1.491 9.285 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.273 0.239 9.012 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.454 -0.150 7.134 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.128 -1.861 7.321 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.527 -2.307 6.142 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.949 -3.088 6.396 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.824 -2.382 7.775 1.00 0.00 H new ATOM 580 N LYS A 87 1.940 -1.871 11.408 1.00 0.00 N ATOM 581 CA LYS A 87 2.917 -2.936 11.749 1.00 0.00 C ATOM 582 C LYS A 87 2.194 -4.161 12.352 1.00 0.00 C ATOM 583 O LYS A 87 2.158 -5.256 11.791 1.00 0.00 O ATOM 584 CB LYS A 87 4.000 -2.321 12.680 1.00 0.00 C ATOM 585 CG LYS A 87 5.308 -3.136 12.754 1.00 0.00 C ATOM 586 CD LYS A 87 6.415 -2.420 13.558 1.00 0.00 C ATOM 587 CE LYS A 87 7.784 -3.129 13.549 1.00 0.00 C ATOM 588 NZ LYS A 87 8.476 -3.037 12.248 1.00 0.00 N ATOM 589 OXT LYS A 87 1.601 -3.898 13.564 1.00 0.00 O ATOM 0 H LYS A 87 1.674 -1.289 12.203 1.00 0.00 H new ATOM 0 HA LYS A 87 3.421 -3.311 10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.232 -1.314 12.333 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.588 -2.225 13.684 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.102 -4.104 13.211 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.667 -3.330 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.541 -1.413 13.159 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.083 -2.314 14.591 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.417 -2.693 14.322 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.644 -4.179 13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.389 -3.532 12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.889 -3.477 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.638 -2.037 12.011 1.00 0.00 H new TER 590 LYS A 87 END