USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 hydrogens (2 hets) HEADER DNA BINDING PROTEIN 19-MAY-95 1MBE TITLE MOUSE C-MYB DNA-BINDING DOMAIN REPEAT 1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: MYB PROTO-ONCOGENE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 OTHER_DETAILS: GENE C-MYB, NMR, MINIMIZED AVERAGE STRUCTURE; COMPND 5 ENGINEERED SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090 KEYWDS PROTOONCOGENE PRODUCT, DNA BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR K.OGATA,S.MORIKAWA,H.NAKAMURA,H.HOJO,S.YOSHIMURA,R.ZHANG,S.AIMOTO, AUTHOR 2 Y.AMETANI,Z.HIRATA,A.SARAI,S.ISHII,Y.NISHIMURA REVDAT 4 29-FEB-12 1MBE 1 JRNL VERSN REVDAT 3 24-FEB-09 1MBE 1 VERSN REVDAT 2 01-APR-03 1MBE 1 JRNL REVDAT 1 31-JUL-95 1MBE 0 JRNL AUTH K.OGATA,S.MORIKAWA,H.NAKAMURA,H.HOJO,S.YOSHIMURA,R.ZHANG, JRNL AUTH 2 S.AIMOTO,Y.AMETANI,Z.HIRATA,A.SARAI,S.ISHII,Y.NISHIMURA JRNL TITL COMPARISON OF THE FREE AND DNA-COMPLEXED FORMS OF THE JRNL TITL 2 DNA-BINDING DOMAIN FROM C-MYB. JRNL REF NAT.STRUCT.BIOL. V. 2 309 1995 JRNL REFN ISSN 1072-8368 JRNL PMID 7796266 JRNL DOI 10.1038/NSB0495-309 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.OGATA,S.MORIKAWA,H.NAKAMURA,A.SEKIKAWA,T.INOUE,H.KANAI, REMARK 1 AUTH 2 A.SARAI,S.ISHII,Y.NISHIMURA REMARK 1 TITL SOLUTION STRUCTURE OF A SPECIFIC DNA COMPLEX OF THE MYB REMARK 1 TITL 2 DNA-BINDING DOMAIN WITH COOPERATIVE RECOGNITION HELICES REMARK 1 REF CELL(CAMBRIDGE,MASS.) V. 79 639 1994 REMARK 1 REFN ISSN 0092-8674 REMARK 1 REFERENCE 2 REMARK 1 AUTH K.OGATA,H.HOJO,S.AIMOTO,T.NAKAI,H.NAKAMURA,A.SARAI,S.ISHII, REMARK 1 AUTH 2 Y.NISHIMURA REMARK 1 TITL SOLUTION STRUCTURE OF A DNA-BINDING UNIT OF MYB: A REMARK 1 TITL 2 HELIX-TURN-HELIX-RELATED MOTIF WITH CONSERVED TRYPTOPHANS REMARK 1 TITL 3 FORMING A HYDROPHOBIC CORE REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 89 6428 1992 REMARK 1 REFN ISSN 0027-8424 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : EMBOSS, PRESTO REMARK 3 AUTHORS : NAKAI,KIDERA,NAKAMURA (EMBOSS), MORIKAMI,NAKAI, REMARK 3 KIDERA,SAITO,NAKAMURA (PRESTO) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 A TOTAL OF 50 STRUCTURES WERE CALCULATED. THE COORDINATES REMARK 3 OF THE RESTRAINED MINIMIZED AVERAGED STRUCTURE WERE REMARK 3 OBTAINED BY AVERAGING THE COORDINATES OF THE INDIVIDUAL REMARK 3 STRUCTURES AND THEN BY SUBJECTING THE RESULTING REMARK 3 COORDINATES TO THE RESTRAINED ENERGY MINIMIZATION BY REMARK 3 PRESTO. REMARK 4 REMARK 4 1MBE COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 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) : 290; 300 REMARK 210 PH : 6.8; 6.8 REMARK 210 IONIC STRENGTH : NULL; NULL REMARK 210 PRESSURE : NULL; 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 ASN A 58 -79.11 -90.15 REMARK 500 THR A 60 48.96 -83.83 REMARK 500 ASP A 61 -134.11 -90.45 REMARK 500 ASN A 72 -44.60 76.96 REMARK 500 TRP A 82 -75.55 -84.91 REMARK 500 VAL A 85 -75.08 -134.88 REMARK 500 ASN A 87 79.70 -153.75 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 90 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1MBF RELATED DB: PDB DBREF 1MBE A 38 89 UNP P06876 MYB_MOUSE 38 89 SEQRES 1 A 53 LEU GLY LYS THR ARG TRP THR ARG GLU GLU ASP GLU LYS SEQRES 2 A 53 LEU LYS LYS LEU VAL GLU GLN ASN GLY THR ASP ASP TRP SEQRES 3 A 53 LYS VAL ILE ALA ASN TYR LEU PRO ASN ARG THR ASP VAL SEQRES 4 A 53 GLN CYS GLN HIS ARG TRP GLN LYS VAL LEU ASN PRO GLU SEQRES 5 A 53 NH2 HET NH2 A 90 3 HETNAM NH2 AMINO GROUP FORMUL 1 NH2 H2 N HELIX 1 H1 ARG A 45 ASN A 58 1 14 HELIX 2 H2 TRP A 63 TYR A 69 1 7 HELIX 3 H3 ASP A 75 LYS A 84 1 10 LINK C GLU A 89 N NH2 A 90 1555 1555 1.33 SITE *** AC1 1 GLU A 89 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 79 GLN : amide:sc= 0.8 K(o=1.5,f=-0.15) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.651 K(o=1.5,f=-1.9) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0.375 USER MOD Set 2.2: A 77 GLN : amide:sc= 0.417 K(o=0.79,f=-2.7!) USER MOD Set 3.1: A 57 GLN : amide:sc= 0.15 X(o=1,f=1.2) USER MOD Set 3.2: A 58 ASN : amide:sc= 0.891 X(o=1,f=1.2) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc=-0.00625 (180deg=-0.163) USER MOD Single : A 41 THR OG1 : rot 23:sc= 0.454 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0304 USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 2.18 (180deg=2.16) USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 0.849 (180deg=0.36) USER MOD Single : A 53 LYS NZ :NH3+ 169:sc=-0.00216 (180deg=-0.149) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00338 USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0474) USER MOD Single : A 68 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.21) USER MOD Single : A 78 CYS SG : rot 84:sc= 0.066 USER MOD Single : A 80 HIS : no HD1:sc= -0.0697 X(o=-0.07,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 38 1.918 -7.242 -10.366 1.00 0.00 N ATOM 2 CA LEU A 38 3.051 -6.999 -9.452 1.00 0.00 C ATOM 3 C LEU A 38 4.348 -7.472 -10.102 1.00 0.00 C ATOM 4 O LEU A 38 4.319 -8.295 -11.015 1.00 0.00 O ATOM 5 CB LEU A 38 2.834 -7.729 -8.112 1.00 0.00 C ATOM 6 CG LEU A 38 2.163 -6.812 -7.066 1.00 0.00 C ATOM 7 CD1 LEU A 38 3.129 -5.702 -6.630 1.00 0.00 C ATOM 8 CD2 LEU A 38 0.879 -6.193 -7.631 1.00 0.00 C ATOM 0 HA LEU A 38 3.117 -5.929 -9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.214 -8.611 -8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.792 -8.079 -7.728 1.00 0.00 H new ATOM 0 HG LEU A 38 1.905 -7.419 -6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.641 -5.064 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.021 -6.148 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.411 -5.104 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.423 -5.551 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.118 -5.602 -8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.182 -6.986 -7.903 1.00 0.00 H new ATOM 22 N GLY A 39 5.483 -6.949 -9.628 1.00 0.00 N ATOM 23 CA GLY A 39 6.783 -7.318 -10.160 1.00 0.00 C ATOM 24 C GLY A 39 7.883 -6.601 -9.386 1.00 0.00 C ATOM 25 O GLY A 39 8.616 -5.792 -9.954 1.00 0.00 O ATOM 0 H GLY A 39 5.519 -6.265 -8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.921 -8.397 -10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.841 -7.057 -11.217 1.00 0.00 H new ATOM 29 N LYS A 40 7.991 -6.901 -8.084 1.00 0.00 N ATOM 30 CA LYS A 40 8.993 -6.285 -7.225 1.00 0.00 C ATOM 31 C LYS A 40 10.383 -6.515 -7.813 1.00 0.00 C ATOM 32 O LYS A 40 10.852 -7.653 -7.864 1.00 0.00 O ATOM 33 CB LYS A 40 8.900 -6.880 -5.815 1.00 0.00 C ATOM 34 CG LYS A 40 7.519 -6.590 -5.214 1.00 0.00 C ATOM 35 CD LYS A 40 7.563 -6.742 -3.684 1.00 0.00 C ATOM 36 CE LYS A 40 8.069 -8.137 -3.286 1.00 0.00 C ATOM 37 NZ LYS A 40 7.231 -9.204 -3.865 1.00 0.00 N ATOM 0 H LYS A 40 7.389 -7.572 -7.607 1.00 0.00 H new ATOM 0 HA LYS A 40 8.812 -5.212 -7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.071 -7.956 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.678 -6.456 -5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.204 -5.580 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.781 -7.274 -5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.214 -5.979 -3.257 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.568 -6.580 -3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.099 -8.260 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.074 -8.227 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.470 -10.113 -3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.228 -8.988 -3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.404 -9.264 -4.889 1.00 0.00 H new ATOM 51 N THR A 41 11.031 -5.425 -8.260 1.00 0.00 N ATOM 52 CA THR A 41 12.365 -5.474 -8.861 1.00 0.00 C ATOM 53 C THR A 41 12.456 -6.618 -9.881 1.00 0.00 C ATOM 54 O THR A 41 13.474 -7.308 -9.954 1.00 0.00 O ATOM 55 CB THR A 41 13.434 -5.612 -7.758 1.00 0.00 C ATOM 56 OG1 THR A 41 13.139 -6.705 -6.915 1.00 0.00 O ATOM 57 CG2 THR A 41 13.481 -4.332 -6.922 1.00 0.00 C ATOM 0 H THR A 41 10.638 -4.485 -8.212 1.00 0.00 H new ATOM 0 HA THR A 41 12.550 -4.543 -9.397 1.00 0.00 H new ATOM 0 HB THR A 41 14.400 -5.781 -8.233 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.566 -7.341 -7.392 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.237 -4.433 -6.144 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.731 -3.487 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 41 12.508 -4.162 -6.462 1.00 0.00 H new ATOM 65 N ARG A 42 11.385 -6.809 -10.669 1.00 0.00 N ATOM 66 CA ARG A 42 11.333 -7.862 -11.675 1.00 0.00 C ATOM 67 C ARG A 42 12.502 -7.717 -12.648 1.00 0.00 C ATOM 68 O ARG A 42 12.799 -6.613 -13.102 1.00 0.00 O ATOM 69 CB ARG A 42 9.992 -7.779 -12.415 1.00 0.00 C ATOM 70 CG ARG A 42 9.952 -8.805 -13.554 1.00 0.00 C ATOM 71 CD ARG A 42 8.542 -8.857 -14.149 1.00 0.00 C ATOM 72 NE ARG A 42 8.521 -9.645 -15.391 1.00 0.00 N ATOM 73 CZ ARG A 42 8.528 -10.992 -15.416 1.00 0.00 C ATOM 74 NH1 ARG A 42 8.569 -11.692 -14.274 1.00 0.00 N ATOM 75 NH2 ARG A 42 8.493 -11.635 -16.591 1.00 0.00 N ATOM 0 H ARG A 42 10.541 -6.238 -10.621 1.00 0.00 H new ATOM 0 HA ARG A 42 11.415 -8.837 -11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.173 -7.964 -11.720 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.850 -6.775 -12.815 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.673 -8.535 -14.325 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.237 -9.789 -13.181 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.854 -9.294 -13.425 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.191 -7.845 -14.351 1.00 0.00 H new ATOM 0 HE ARG A 42 8.500 -9.145 -16.280 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.595 -11.205 -13.378 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.574 -12.712 -14.301 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.461 -11.105 -17.462 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.498 -12.655 -16.615 1.00 0.00 H new ATOM 89 N TRP A 43 13.159 -8.839 -12.964 1.00 0.00 N ATOM 90 CA TRP A 43 14.290 -8.854 -13.882 1.00 0.00 C ATOM 91 C TRP A 43 13.819 -9.228 -15.285 1.00 0.00 C ATOM 92 O TRP A 43 12.780 -9.870 -15.446 1.00 0.00 O ATOM 93 CB TRP A 43 15.333 -9.856 -13.379 1.00 0.00 C ATOM 94 CG TRP A 43 16.282 -9.306 -12.362 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.053 -9.209 -11.041 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.622 -8.767 -12.562 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.133 -8.657 -10.394 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.143 -8.360 -11.293 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.458 -8.580 -13.686 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.416 -7.800 -11.151 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.743 -8.012 -13.548 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.218 -7.622 -12.284 1.00 0.00 C ATOM 0 H TRP A 43 12.918 -9.756 -12.589 1.00 0.00 H new ATOM 0 HA TRP A 43 14.740 -7.862 -13.926 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.816 -10.714 -12.949 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.906 -10.223 -14.231 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.142 -9.523 -10.553 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.183 -8.489 -9.389 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.109 -8.876 -14.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.777 -7.507 -10.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.366 -7.876 -14.420 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.201 -7.185 -12.187 1.00 0.00 H new ATOM 113 N THR A 44 14.597 -8.822 -16.298 1.00 0.00 N ATOM 114 CA THR A 44 14.295 -9.116 -17.693 1.00 0.00 C ATOM 115 C THR A 44 15.543 -9.690 -18.360 1.00 0.00 C ATOM 116 O THR A 44 16.659 -9.422 -17.916 1.00 0.00 O ATOM 117 CB THR A 44 13.834 -7.837 -18.407 1.00 0.00 C ATOM 118 OG1 THR A 44 14.837 -6.849 -18.312 1.00 0.00 O ATOM 119 CG2 THR A 44 12.544 -7.317 -17.765 1.00 0.00 C ATOM 0 H THR A 44 15.452 -8.281 -16.166 1.00 0.00 H new ATOM 0 HA THR A 44 13.490 -9.848 -17.755 1.00 0.00 H new ATOM 0 HB THR A 44 13.648 -8.065 -19.456 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.539 -6.036 -18.770 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.223 -6.410 -18.277 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.765 -8.075 -17.848 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.725 -7.096 -16.713 1.00 0.00 H new ATOM 127 N ARG A 45 15.355 -10.483 -19.424 1.00 0.00 N ATOM 128 CA ARG A 45 16.468 -11.110 -20.125 1.00 0.00 C ATOM 129 C ARG A 45 17.461 -10.052 -20.614 1.00 0.00 C ATOM 130 O ARG A 45 18.670 -10.267 -20.567 1.00 0.00 O ATOM 131 CB ARG A 45 15.940 -11.939 -21.301 1.00 0.00 C ATOM 132 CG ARG A 45 16.980 -12.999 -21.676 1.00 0.00 C ATOM 133 CD ARG A 45 16.682 -13.558 -23.070 1.00 0.00 C ATOM 134 NE ARG A 45 17.613 -14.645 -23.411 1.00 0.00 N ATOM 135 CZ ARG A 45 18.929 -14.452 -23.630 1.00 0.00 C ATOM 136 NH1 ARG A 45 19.436 -13.215 -23.654 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.736 -15.502 -23.821 1.00 0.00 N ATOM 0 H ARG A 45 14.438 -10.702 -19.813 1.00 0.00 H new ATOM 0 HA ARG A 45 16.992 -11.771 -19.435 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.998 -12.416 -21.031 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.737 -11.293 -22.155 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.979 -12.563 -21.656 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.970 -13.805 -20.942 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.657 -13.927 -23.106 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.760 -12.761 -23.810 1.00 0.00 H new ATOM 0 HE ARG A 45 17.244 -15.593 -23.485 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.826 -12.411 -23.506 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.433 -13.075 -23.820 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.355 -16.448 -23.801 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.732 -15.356 -23.987 1.00 0.00 H new ATOM 151 N GLU A 46 16.948 -8.907 -21.085 1.00 0.00 N ATOM 152 CA GLU A 46 17.795 -7.831 -21.576 1.00 0.00 C ATOM 153 C GLU A 46 18.740 -7.363 -20.466 1.00 0.00 C ATOM 154 O GLU A 46 19.892 -7.021 -20.732 1.00 0.00 O ATOM 155 CB GLU A 46 16.919 -6.672 -22.063 1.00 0.00 C ATOM 156 CG GLU A 46 17.717 -5.797 -23.035 1.00 0.00 C ATOM 157 CD GLU A 46 17.179 -4.373 -23.051 1.00 0.00 C ATOM 158 OE1 GLU A 46 16.123 -4.172 -23.686 1.00 0.00 O ATOM 159 OE2 GLU A 46 17.837 -3.514 -22.424 1.00 0.00 O ATOM 0 H GLU A 46 15.948 -8.710 -21.133 1.00 0.00 H new ATOM 0 HA GLU A 46 18.396 -8.192 -22.410 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.027 -7.059 -22.555 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.582 -6.076 -21.215 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.768 -5.790 -22.745 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.666 -6.221 -24.038 1.00 0.00 H new ATOM 166 N GLU A 47 18.250 -7.348 -19.221 1.00 0.00 N ATOM 167 CA GLU A 47 19.049 -6.932 -18.080 1.00 0.00 C ATOM 168 C GLU A 47 20.004 -8.059 -17.687 1.00 0.00 C ATOM 169 O GLU A 47 21.161 -7.804 -17.356 1.00 0.00 O ATOM 170 CB GLU A 47 18.121 -6.578 -16.913 1.00 0.00 C ATOM 171 CG GLU A 47 18.317 -5.115 -16.515 1.00 0.00 C ATOM 172 CD GLU A 47 17.427 -4.753 -15.334 1.00 0.00 C ATOM 173 OE1 GLU A 47 16.296 -5.287 -15.286 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.890 -3.951 -14.498 1.00 0.00 O ATOM 0 H GLU A 47 17.296 -7.623 -18.985 1.00 0.00 H new ATOM 0 HA GLU A 47 19.638 -6.052 -18.340 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.083 -6.750 -17.198 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.330 -7.226 -16.062 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.361 -4.940 -16.256 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.086 -4.469 -17.362 1.00 0.00 H new ATOM 181 N ASP A 48 19.516 -9.306 -17.729 1.00 0.00 N ATOM 182 CA ASP A 48 20.328 -10.466 -17.390 1.00 0.00 C ATOM 183 C ASP A 48 21.563 -10.513 -18.285 1.00 0.00 C ATOM 184 O ASP A 48 22.634 -10.889 -17.829 1.00 0.00 O ATOM 185 CB ASP A 48 19.501 -11.747 -17.544 1.00 0.00 C ATOM 186 CG ASP A 48 18.376 -11.809 -16.517 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.632 -11.407 -15.364 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.277 -12.265 -16.900 1.00 0.00 O ATOM 0 H ASP A 48 18.558 -9.530 -17.997 1.00 0.00 H new ATOM 0 HA ASP A 48 20.653 -10.387 -16.353 1.00 0.00 H new ATOM 0 HB2 ASP A 48 19.081 -11.792 -18.549 1.00 0.00 H new ATOM 0 HB3 ASP A 48 20.149 -12.616 -17.429 1.00 0.00 H new ATOM 193 N GLU A 49 21.416 -10.125 -19.560 1.00 0.00 N ATOM 194 CA GLU A 49 22.537 -10.102 -20.490 1.00 0.00 C ATOM 195 C GLU A 49 23.604 -9.120 -19.998 1.00 0.00 C ATOM 196 O GLU A 49 24.794 -9.417 -20.067 1.00 0.00 O ATOM 197 CB GLU A 49 22.042 -9.707 -21.888 1.00 0.00 C ATOM 198 CG GLU A 49 21.438 -10.928 -22.598 1.00 0.00 C ATOM 199 CD GLU A 49 22.509 -11.956 -22.963 1.00 0.00 C ATOM 200 OE1 GLU A 49 23.697 -11.565 -23.005 1.00 0.00 O ATOM 201 OE2 GLU A 49 22.120 -13.126 -23.194 1.00 0.00 O ATOM 0 H GLU A 49 20.529 -9.824 -19.964 1.00 0.00 H new ATOM 0 HA GLU A 49 22.982 -11.096 -20.545 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.296 -8.917 -21.808 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.868 -9.307 -22.475 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.692 -11.392 -21.953 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.921 -10.605 -23.501 1.00 0.00 H new ATOM 208 N LYS A 50 23.179 -7.951 -19.498 1.00 0.00 N ATOM 209 CA LYS A 50 24.111 -6.949 -18.994 1.00 0.00 C ATOM 210 C LYS A 50 24.843 -7.505 -17.774 1.00 0.00 C ATOM 211 O LYS A 50 26.069 -7.428 -17.695 1.00 0.00 O ATOM 212 CB LYS A 50 23.359 -5.663 -18.628 1.00 0.00 C ATOM 213 CG LYS A 50 22.654 -5.093 -19.862 1.00 0.00 C ATOM 214 CD LYS A 50 21.929 -3.798 -19.481 1.00 0.00 C ATOM 215 CE LYS A 50 20.991 -3.368 -20.614 1.00 0.00 C ATOM 216 NZ LYS A 50 19.775 -4.201 -20.647 1.00 0.00 N ATOM 0 H LYS A 50 22.197 -7.682 -19.435 1.00 0.00 H new ATOM 0 HA LYS A 50 24.839 -6.711 -19.769 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.628 -5.870 -17.846 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.056 -4.927 -18.226 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.380 -4.898 -20.651 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.942 -5.819 -20.256 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.360 -3.947 -18.564 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.656 -3.010 -19.281 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.714 -2.322 -20.483 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.512 -3.443 -21.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.192 -3.931 -21.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.043 -5.203 -20.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.232 -4.057 -19.772 1.00 0.00 H new ATOM 230 N LEU A 51 24.084 -8.071 -16.825 1.00 0.00 N ATOM 231 CA LEU A 51 24.655 -8.648 -15.617 1.00 0.00 C ATOM 232 C LEU A 51 25.655 -9.739 -15.997 1.00 0.00 C ATOM 233 O LEU A 51 26.764 -9.778 -15.471 1.00 0.00 O ATOM 234 CB LEU A 51 23.518 -9.212 -14.750 1.00 0.00 C ATOM 235 CG LEU A 51 24.073 -9.837 -13.459 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.775 -8.770 -12.614 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.920 -10.439 -12.653 1.00 0.00 C ATOM 0 H LEU A 51 23.068 -8.138 -16.879 1.00 0.00 H new ATOM 0 HA LEU A 51 25.186 -7.887 -15.045 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.816 -8.416 -14.501 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.963 -9.962 -15.313 1.00 0.00 H new ATOM 0 HG LEU A 51 24.791 -10.614 -13.721 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.163 -9.225 -11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.598 -8.338 -13.183 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.064 -7.986 -12.353 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.309 -10.883 -11.737 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.205 -9.656 -12.401 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.424 -11.207 -13.246 1.00 0.00 H new ATOM 249 N LYS A 52 25.253 -10.617 -16.919 1.00 0.00 N ATOM 250 CA LYS A 52 26.095 -11.702 -17.389 1.00 0.00 C ATOM 251 C LYS A 52 27.408 -11.143 -17.929 1.00 0.00 C ATOM 252 O LYS A 52 28.477 -11.574 -17.517 1.00 0.00 O ATOM 253 CB LYS A 52 25.342 -12.474 -18.480 1.00 0.00 C ATOM 254 CG LYS A 52 26.107 -13.751 -18.856 1.00 0.00 C ATOM 255 CD LYS A 52 26.158 -13.899 -20.378 1.00 0.00 C ATOM 256 CE LYS A 52 24.751 -14.173 -20.924 1.00 0.00 C ATOM 257 NZ LYS A 52 24.696 -13.959 -22.380 1.00 0.00 N ATOM 0 H LYS A 52 24.332 -10.589 -17.357 1.00 0.00 H new ATOM 0 HA LYS A 52 26.328 -12.379 -16.567 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.343 -12.731 -18.129 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.218 -11.844 -19.361 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.118 -13.712 -18.452 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.621 -14.620 -18.414 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.561 -12.991 -20.827 1.00 0.00 H new ATOM 0 HD3 LYS A 52 26.828 -14.714 -20.650 1.00 0.00 H new ATOM 0 HE2 LYS A 52 24.461 -15.198 -20.693 1.00 0.00 H new ATOM 0 HE3 LYS A 52 24.032 -13.519 -20.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.782 -14.295 -22.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.799 -12.945 -22.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.467 -14.486 -22.838 1.00 0.00 H new ATOM 271 N LYS A 53 27.320 -10.181 -18.854 1.00 0.00 N ATOM 272 CA LYS A 53 28.496 -9.582 -19.465 1.00 0.00 C ATOM 273 C LYS A 53 29.430 -9.010 -18.394 1.00 0.00 C ATOM 274 O LYS A 53 30.639 -9.218 -18.456 1.00 0.00 O ATOM 275 CB LYS A 53 28.051 -8.488 -20.442 1.00 0.00 C ATOM 276 CG LYS A 53 29.239 -8.045 -21.300 1.00 0.00 C ATOM 277 CD LYS A 53 28.771 -7.004 -22.323 1.00 0.00 C ATOM 278 CE LYS A 53 29.952 -6.549 -23.187 1.00 0.00 C ATOM 279 NZ LYS A 53 30.430 -7.640 -24.059 1.00 0.00 N ATOM 0 H LYS A 53 26.436 -9.803 -19.193 1.00 0.00 H new ATOM 0 HA LYS A 53 29.050 -10.346 -20.010 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.249 -8.861 -21.079 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.651 -7.637 -19.891 1.00 0.00 H new ATOM 0 HG2 LYS A 53 30.021 -7.623 -20.668 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.672 -8.904 -21.812 1.00 0.00 H new ATOM 0 HD2 LYS A 53 27.990 -7.428 -22.954 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.335 -6.148 -21.809 1.00 0.00 H new ATOM 0 HE2 LYS A 53 29.652 -5.697 -23.798 1.00 0.00 H new ATOM 0 HE3 LYS A 53 30.766 -6.210 -22.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 31.098 -7.258 -24.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 30.908 -8.362 -23.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 29.621 -8.070 -24.552 1.00 0.00 H new ATOM 293 N LEU A 54 28.871 -8.286 -17.417 1.00 0.00 N ATOM 294 CA LEU A 54 29.666 -7.676 -16.357 1.00 0.00 C ATOM 295 C LEU A 54 30.346 -8.750 -15.504 1.00 0.00 C ATOM 296 O LEU A 54 31.507 -8.592 -15.128 1.00 0.00 O ATOM 297 CB LEU A 54 28.768 -6.781 -15.495 1.00 0.00 C ATOM 298 CG LEU A 54 28.539 -5.436 -16.202 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.265 -4.787 -15.664 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.728 -4.503 -15.947 1.00 0.00 C ATOM 0 H LEU A 54 27.869 -8.111 -17.343 1.00 0.00 H new ATOM 0 HA LEU A 54 30.449 -7.065 -16.805 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.813 -7.275 -15.315 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.230 -6.616 -14.522 1.00 0.00 H new ATOM 0 HG LEU A 54 28.440 -5.609 -17.274 1.00 0.00 H new ATOM 0 HD11 LEU A 54 27.103 -3.833 -16.166 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.415 -5.444 -15.850 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.366 -4.620 -14.592 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.559 -3.552 -16.451 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.833 -4.332 -14.876 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.639 -4.961 -16.333 1.00 0.00 H new ATOM 312 N VAL A 55 29.630 -9.840 -15.198 1.00 0.00 N ATOM 313 CA VAL A 55 30.186 -10.926 -14.398 1.00 0.00 C ATOM 314 C VAL A 55 31.314 -11.613 -15.174 1.00 0.00 C ATOM 315 O VAL A 55 32.378 -11.863 -14.622 1.00 0.00 O ATOM 316 CB VAL A 55 29.070 -11.921 -14.034 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.680 -13.218 -13.489 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.166 -11.306 -12.961 1.00 0.00 C ATOM 0 H VAL A 55 28.665 -9.988 -15.495 1.00 0.00 H new ATOM 0 HA VAL A 55 30.604 -10.530 -13.473 1.00 0.00 H new ATOM 0 HB VAL A 55 28.488 -12.142 -14.929 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.883 -13.916 -13.234 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.324 -13.664 -14.247 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.268 -12.997 -12.598 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.376 -12.011 -12.703 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.756 -11.082 -12.072 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.722 -10.387 -13.343 1.00 0.00 H new ATOM 328 N GLU A 56 31.077 -11.913 -16.454 1.00 0.00 N ATOM 329 CA GLU A 56 32.075 -12.559 -17.297 1.00 0.00 C ATOM 330 C GLU A 56 33.311 -11.664 -17.421 1.00 0.00 C ATOM 331 O GLU A 56 34.438 -12.152 -17.387 1.00 0.00 O ATOM 332 CB GLU A 56 31.468 -12.832 -18.678 1.00 0.00 C ATOM 333 CG GLU A 56 30.422 -13.949 -18.578 1.00 0.00 C ATOM 334 CD GLU A 56 29.636 -14.086 -19.880 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.243 -13.031 -20.425 1.00 0.00 O ATOM 336 OE2 GLU A 56 29.441 -15.245 -20.306 1.00 0.00 O ATOM 0 H GLU A 56 30.195 -11.715 -16.927 1.00 0.00 H new ATOM 0 HA GLU A 56 32.379 -13.505 -16.848 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.007 -11.924 -19.068 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.252 -13.118 -19.379 1.00 0.00 H new ATOM 0 HG2 GLU A 56 30.915 -14.893 -18.346 1.00 0.00 H new ATOM 0 HG3 GLU A 56 29.737 -13.737 -17.757 1.00 0.00 H new ATOM 343 N GLN A 57 33.088 -10.353 -17.567 1.00 0.00 N ATOM 344 CA GLN A 57 34.165 -9.386 -17.704 1.00 0.00 C ATOM 345 C GLN A 57 35.001 -9.336 -16.425 1.00 0.00 C ATOM 346 O GLN A 57 36.213 -9.539 -16.467 1.00 0.00 O ATOM 347 CB GLN A 57 33.555 -8.008 -18.006 1.00 0.00 C ATOM 348 CG GLN A 57 34.650 -6.939 -18.071 1.00 0.00 C ATOM 349 CD GLN A 57 34.041 -5.559 -18.291 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.602 -4.914 -17.341 1.00 0.00 O ATOM 351 NE2 GLN A 57 34.012 -5.106 -19.545 1.00 0.00 N ATOM 0 H GLN A 57 32.155 -9.941 -17.593 1.00 0.00 H new ATOM 0 HA GLN A 57 34.823 -9.680 -18.522 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.015 -8.042 -18.952 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.830 -7.748 -17.235 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.226 -6.945 -17.146 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.343 -7.170 -18.880 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.388 -5.677 -20.302 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.614 -4.189 -19.747 1.00 0.00 H new ATOM 360 N ASN A 58 34.350 -9.047 -15.293 1.00 0.00 N ATOM 361 CA ASN A 58 35.033 -8.906 -14.016 1.00 0.00 C ATOM 362 C ASN A 58 35.097 -10.253 -13.295 1.00 0.00 C ATOM 363 O ASN A 58 36.133 -10.915 -13.310 1.00 0.00 O ATOM 364 CB ASN A 58 34.301 -7.854 -13.168 1.00 0.00 C ATOM 365 CG ASN A 58 34.273 -6.504 -13.879 1.00 0.00 C ATOM 366 OD1 ASN A 58 35.135 -5.661 -13.651 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.277 -6.303 -14.746 1.00 0.00 N ATOM 0 H ASN A 58 33.341 -8.906 -15.243 1.00 0.00 H new ATOM 0 HA ASN A 58 36.058 -8.574 -14.181 1.00 0.00 H new ATOM 0 HB2 ASN A 58 33.282 -8.186 -12.970 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.796 -7.751 -12.203 1.00 0.00 H new ATOM 0 HD21 ASN A 58 33.211 -5.419 -15.251 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.583 -7.033 -14.903 1.00 0.00 H new ATOM 374 N GLY A 59 33.989 -10.649 -12.661 1.00 0.00 N ATOM 375 CA GLY A 59 33.916 -11.895 -11.916 1.00 0.00 C ATOM 376 C GLY A 59 32.917 -11.743 -10.775 1.00 0.00 C ATOM 377 O GLY A 59 32.399 -10.650 -10.546 1.00 0.00 O ATOM 0 H GLY A 59 33.123 -10.111 -12.654 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.612 -12.708 -12.575 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.899 -12.154 -11.522 1.00 0.00 H new ATOM 381 N THR A 60 32.649 -12.836 -10.053 1.00 0.00 N ATOM 382 CA THR A 60 31.721 -12.812 -8.929 1.00 0.00 C ATOM 383 C THR A 60 32.452 -12.332 -7.671 1.00 0.00 C ATOM 384 O THR A 60 32.358 -12.960 -6.617 1.00 0.00 O ATOM 385 CB THR A 60 31.135 -14.215 -8.728 1.00 0.00 C ATOM 386 OG1 THR A 60 32.184 -15.144 -8.555 1.00 0.00 O ATOM 387 CG2 THR A 60 30.304 -14.612 -9.951 1.00 0.00 C ATOM 0 H THR A 60 33.066 -13.750 -10.232 1.00 0.00 H new ATOM 0 HA THR A 60 30.903 -12.121 -9.132 1.00 0.00 H new ATOM 0 HB THR A 60 30.497 -14.212 -7.844 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.809 -16.040 -8.425 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.891 -15.609 -9.802 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.491 -13.899 -10.086 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.938 -14.611 -10.838 1.00 0.00 H new ATOM 395 N ASP A 61 33.184 -11.215 -7.795 1.00 0.00 N ATOM 396 CA ASP A 61 33.934 -10.637 -6.689 1.00 0.00 C ATOM 397 C ASP A 61 33.036 -9.632 -5.951 1.00 0.00 C ATOM 398 O ASP A 61 31.875 -9.937 -5.678 1.00 0.00 O ATOM 399 CB ASP A 61 35.204 -9.981 -7.253 1.00 0.00 C ATOM 400 CG ASP A 61 36.223 -9.713 -6.154 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.850 -10.697 -5.707 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.355 -8.528 -5.783 1.00 0.00 O ATOM 0 H ASP A 61 33.268 -10.693 -8.667 1.00 0.00 H new ATOM 0 HA ASP A 61 34.238 -11.398 -5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.645 -10.629 -8.010 1.00 0.00 H new ATOM 0 HB3 ASP A 61 34.944 -9.045 -7.747 1.00 0.00 H new ATOM 407 N ASP A 62 33.560 -8.436 -5.634 1.00 0.00 N ATOM 408 CA ASP A 62 32.774 -7.406 -4.969 1.00 0.00 C ATOM 409 C ASP A 62 31.605 -7.004 -5.863 1.00 0.00 C ATOM 410 O ASP A 62 31.791 -6.340 -6.884 1.00 0.00 O ATOM 411 CB ASP A 62 33.658 -6.192 -4.639 1.00 0.00 C ATOM 412 CG ASP A 62 33.654 -5.911 -3.142 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.603 -5.431 -2.661 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.696 -6.179 -2.508 1.00 0.00 O ATOM 0 H ASP A 62 34.524 -8.167 -5.831 1.00 0.00 H new ATOM 0 HA ASP A 62 32.380 -7.798 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.678 -6.377 -4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.297 -5.316 -5.179 1.00 0.00 H new ATOM 419 N TRP A 63 30.396 -7.415 -5.474 1.00 0.00 N ATOM 420 CA TRP A 63 29.195 -7.124 -6.235 1.00 0.00 C ATOM 421 C TRP A 63 28.903 -5.621 -6.244 1.00 0.00 C ATOM 422 O TRP A 63 28.096 -5.160 -7.045 1.00 0.00 O ATOM 423 CB TRP A 63 28.031 -7.919 -5.645 1.00 0.00 C ATOM 424 CG TRP A 63 28.088 -9.380 -5.960 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.477 -10.355 -5.120 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.771 -10.053 -7.212 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.434 -11.583 -5.738 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.004 -11.455 -7.047 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.313 -9.626 -8.480 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.801 -12.374 -8.079 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.100 -10.551 -9.522 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.347 -11.921 -9.322 1.00 0.00 C ATOM 0 H TRP A 63 30.230 -7.956 -4.625 1.00 0.00 H new ATOM 0 HA TRP A 63 29.338 -7.423 -7.273 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.023 -7.788 -4.563 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.094 -7.510 -6.022 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.782 -10.195 -4.096 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.684 -12.466 -5.293 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.124 -8.577 -8.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.993 -13.425 -7.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.744 -10.205 -10.481 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.186 -12.622 -10.127 1.00 0.00 H new ATOM 443 N LYS A 64 29.567 -4.854 -5.366 1.00 0.00 N ATOM 444 CA LYS A 64 29.392 -3.411 -5.327 1.00 0.00 C ATOM 445 C LYS A 64 29.840 -2.807 -6.659 1.00 0.00 C ATOM 446 O LYS A 64 29.219 -1.871 -7.155 1.00 0.00 O ATOM 447 CB LYS A 64 30.207 -2.818 -4.165 1.00 0.00 C ATOM 448 CG LYS A 64 29.273 -2.098 -3.187 1.00 0.00 C ATOM 449 CD LYS A 64 28.571 -3.130 -2.295 1.00 0.00 C ATOM 450 CE LYS A 64 27.422 -2.469 -1.526 1.00 0.00 C ATOM 451 NZ LYS A 64 27.917 -1.418 -0.620 1.00 0.00 N ATOM 0 H LYS A 64 30.227 -5.217 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 64 28.340 -3.174 -5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.749 -3.610 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 64 30.952 -2.121 -4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 64 29.841 -1.398 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.534 -1.514 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 64 28.187 -3.948 -2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 64 29.286 -3.563 -1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 64 26.710 -2.039 -2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 64 26.885 -3.224 -0.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 27.138 -1.084 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 28.676 -1.804 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 28.287 -0.623 -1.180 1.00 0.00 H new ATOM 465 N VAL A 65 30.921 -3.349 -7.236 1.00 0.00 N ATOM 466 CA VAL A 65 31.450 -2.866 -8.505 1.00 0.00 C ATOM 467 C VAL A 65 30.397 -3.042 -9.598 1.00 0.00 C ATOM 468 O VAL A 65 30.103 -2.108 -10.341 1.00 0.00 O ATOM 469 CB VAL A 65 32.731 -3.644 -8.848 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.241 -3.224 -10.229 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.810 -3.352 -7.801 1.00 0.00 C ATOM 0 H VAL A 65 31.445 -4.127 -6.835 1.00 0.00 H new ATOM 0 HA VAL A 65 31.694 -1.806 -8.430 1.00 0.00 H new ATOM 0 HB VAL A 65 32.506 -4.711 -8.853 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.149 -3.779 -10.466 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.479 -3.438 -10.979 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.459 -2.156 -10.227 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.716 -3.905 -8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.028 -2.284 -7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.455 -3.658 -6.817 1.00 0.00 H new ATOM 481 N ILE A 66 29.831 -4.247 -9.690 1.00 0.00 N ATOM 482 CA ILE A 66 28.819 -4.553 -10.686 1.00 0.00 C ATOM 483 C ILE A 66 27.582 -3.682 -10.446 1.00 0.00 C ATOM 484 O ILE A 66 27.004 -3.150 -11.393 1.00 0.00 O ATOM 485 CB ILE A 66 28.485 -6.052 -10.615 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.723 -6.863 -11.042 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.313 -6.369 -11.551 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.592 -8.317 -10.592 1.00 0.00 C ATOM 0 H ILE A 66 30.064 -5.029 -9.078 1.00 0.00 H new ATOM 0 HA ILE A 66 29.189 -4.332 -11.687 1.00 0.00 H new ATOM 0 HB ILE A 66 28.205 -6.316 -9.595 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.837 -6.820 -12.125 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.621 -6.422 -10.609 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.081 -7.433 -11.496 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.440 -5.791 -11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.584 -6.109 -12.574 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.476 -8.875 -10.902 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.501 -8.355 -9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.705 -8.760 -11.046 1.00 0.00 H new ATOM 500 N ALA A 67 27.184 -3.531 -9.177 1.00 0.00 N ATOM 501 CA ALA A 67 26.030 -2.719 -8.817 1.00 0.00 C ATOM 502 C ALA A 67 26.246 -1.271 -9.257 1.00 0.00 C ATOM 503 O ALA A 67 25.319 -0.627 -9.735 1.00 0.00 O ATOM 504 CB ALA A 67 25.808 -2.795 -7.307 1.00 0.00 C ATOM 0 H ALA A 67 27.652 -3.966 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 67 25.145 -3.101 -9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.945 -2.188 -7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.629 -3.830 -7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.692 -2.421 -6.790 1.00 0.00 H new ATOM 510 N ASN A 68 27.474 -0.759 -9.099 1.00 0.00 N ATOM 511 CA ASN A 68 27.793 0.608 -9.494 1.00 0.00 C ATOM 512 C ASN A 68 27.521 0.795 -10.991 1.00 0.00 C ATOM 513 O ASN A 68 27.063 1.857 -11.407 1.00 0.00 O ATOM 514 CB ASN A 68 29.259 0.922 -9.167 1.00 0.00 C ATOM 515 CG ASN A 68 29.376 1.673 -7.845 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.518 2.892 -7.832 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.316 0.945 -6.731 1.00 0.00 N ATOM 0 H ASN A 68 28.258 -1.275 -8.700 1.00 0.00 H new ATOM 0 HA ASN A 68 27.160 1.299 -8.937 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.830 -0.005 -9.114 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.694 1.519 -9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.389 1.399 -5.821 1.00 0.00 H new ATOM 0 HD22 ASN A 68 29.197 -0.066 -6.789 1.00 0.00 H new ATOM 524 N TYR A 69 27.803 -0.240 -11.798 1.00 0.00 N ATOM 525 CA TYR A 69 27.586 -0.178 -13.239 1.00 0.00 C ATOM 526 C TYR A 69 26.109 -0.409 -13.576 1.00 0.00 C ATOM 527 O TYR A 69 25.666 -0.036 -14.661 1.00 0.00 O ATOM 528 CB TYR A 69 28.464 -1.224 -13.938 1.00 0.00 C ATOM 529 CG TYR A 69 29.949 -0.919 -13.870 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.439 0.317 -14.333 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.843 -1.877 -13.355 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.814 0.595 -14.275 1.00 0.00 C ATOM 533 CE2 TYR A 69 32.219 -1.597 -13.301 1.00 0.00 C ATOM 534 CZ TYR A 69 32.704 -0.361 -13.759 1.00 0.00 C ATOM 535 OH TYR A 69 34.039 -0.092 -13.703 1.00 0.00 O ATOM 0 H TYR A 69 28.182 -1.128 -11.469 1.00 0.00 H new ATOM 0 HA TYR A 69 27.861 0.815 -13.594 1.00 0.00 H new ATOM 0 HB2 TYR A 69 28.281 -2.199 -13.486 1.00 0.00 H new ATOM 0 HB3 TYR A 69 28.165 -1.296 -14.984 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.756 1.052 -14.733 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.471 -2.827 -13.001 1.00 0.00 H new ATOM 0 HE1 TYR A 69 32.188 1.545 -14.628 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.904 -2.333 -12.907 1.00 0.00 H new ATOM 0 HH TYR A 69 34.511 -0.860 -13.318 1.00 0.00 H new ATOM 545 N LEU A 70 25.349 -1.023 -12.652 1.00 0.00 N ATOM 546 CA LEU A 70 23.928 -1.296 -12.859 1.00 0.00 C ATOM 547 C LEU A 70 23.095 -0.550 -11.809 1.00 0.00 C ATOM 548 O LEU A 70 22.753 -1.129 -10.779 1.00 0.00 O ATOM 549 CB LEU A 70 23.674 -2.807 -12.749 1.00 0.00 C ATOM 550 CG LEU A 70 24.420 -3.576 -13.848 1.00 0.00 C ATOM 551 CD1 LEU A 70 24.215 -5.076 -13.628 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.878 -3.191 -15.230 1.00 0.00 C ATOM 0 H LEU A 70 25.705 -1.339 -11.750 1.00 0.00 H new ATOM 0 HA LEU A 70 23.636 -0.953 -13.852 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.996 -3.162 -11.770 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.605 -3.005 -12.824 1.00 0.00 H new ATOM 0 HG LEU A 70 25.480 -3.327 -13.803 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.741 -5.633 -14.404 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.607 -5.357 -12.650 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.151 -5.308 -13.673 1.00 0.00 H new ATOM 0 HD21 LEU A 70 24.417 -3.744 -15.999 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.817 -3.433 -15.285 1.00 0.00 H new ATOM 0 HD23 LEU A 70 24.015 -2.121 -15.389 1.00 0.00 H new ATOM 564 N PRO A 71 22.752 0.733 -12.060 1.00 0.00 N ATOM 565 CA PRO A 71 21.952 1.513 -11.137 1.00 0.00 C ATOM 566 C PRO A 71 20.642 0.789 -10.824 1.00 0.00 C ATOM 567 O PRO A 71 20.155 0.010 -11.643 1.00 0.00 O ATOM 568 CB PRO A 71 21.706 2.859 -11.824 1.00 0.00 C ATOM 569 CG PRO A 71 22.511 2.847 -13.130 1.00 0.00 C ATOM 570 CD PRO A 71 23.133 1.455 -13.256 1.00 0.00 C ATOM 0 HA PRO A 71 22.457 1.657 -10.182 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.644 3.001 -12.026 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.021 3.683 -11.184 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.867 3.061 -13.983 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.284 3.615 -13.114 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.771 0.946 -14.150 1.00 0.00 H new ATOM 0 HD3 PRO A 71 24.218 1.520 -13.343 1.00 0.00 H new ATOM 578 N ASN A 72 20.085 1.049 -9.627 1.00 0.00 N ATOM 579 CA ASN A 72 18.843 0.421 -9.150 1.00 0.00 C ATOM 580 C ASN A 72 19.122 -1.012 -8.683 1.00 0.00 C ATOM 581 O ASN A 72 18.639 -1.420 -7.627 1.00 0.00 O ATOM 582 CB ASN A 72 17.744 0.437 -10.228 1.00 0.00 C ATOM 583 CG ASN A 72 17.613 1.813 -10.875 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.146 2.756 -10.244 1.00 0.00 O ATOM 585 ND2 ASN A 72 18.024 1.924 -12.138 1.00 0.00 N ATOM 0 H ASN A 72 20.489 1.706 -8.960 1.00 0.00 H new ATOM 0 HA ASN A 72 18.477 1.005 -8.306 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.973 -0.305 -10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.791 0.152 -9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.957 2.821 -12.619 1.00 0.00 H new ATOM 0 HD22 ASN A 72 18.406 1.112 -12.623 1.00 0.00 H new ATOM 592 N ARG A 73 19.899 -1.774 -9.466 1.00 0.00 N ATOM 593 CA ARG A 73 20.237 -3.145 -9.124 1.00 0.00 C ATOM 594 C ARG A 73 21.363 -3.149 -8.098 1.00 0.00 C ATOM 595 O ARG A 73 22.539 -3.124 -8.456 1.00 0.00 O ATOM 596 CB ARG A 73 20.652 -3.910 -10.387 1.00 0.00 C ATOM 597 CG ARG A 73 19.538 -3.855 -11.440 1.00 0.00 C ATOM 598 CD ARG A 73 18.234 -4.408 -10.858 1.00 0.00 C ATOM 599 NE ARG A 73 17.280 -4.705 -11.927 1.00 0.00 N ATOM 600 CZ ARG A 73 16.124 -5.351 -11.722 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.775 -5.738 -10.488 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.321 -5.608 -12.756 1.00 0.00 N ATOM 0 H ARG A 73 20.303 -1.452 -10.345 1.00 0.00 H new ATOM 0 HA ARG A 73 19.367 -3.640 -8.693 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.567 -3.481 -10.795 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.871 -4.948 -10.135 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.390 -2.827 -11.771 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.828 -4.433 -12.317 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.440 -5.312 -10.285 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.801 -3.684 -10.167 1.00 0.00 H new ATOM 0 HE ARG A 73 17.506 -4.405 -12.875 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.390 -5.541 -9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.894 -6.229 -10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.589 -5.313 -13.695 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.440 -6.099 -12.607 1.00 0.00 H new ATOM 616 N THR A 74 20.993 -3.183 -6.817 1.00 0.00 N ATOM 617 CA THR A 74 21.954 -3.197 -5.730 1.00 0.00 C ATOM 618 C THR A 74 22.807 -4.465 -5.797 1.00 0.00 C ATOM 619 O THR A 74 22.503 -5.393 -6.550 1.00 0.00 O ATOM 620 CB THR A 74 21.199 -3.125 -4.396 1.00 0.00 C ATOM 621 OG1 THR A 74 20.195 -4.121 -4.363 1.00 0.00 O ATOM 622 CG2 THR A 74 20.551 -1.747 -4.241 1.00 0.00 C ATOM 0 H THR A 74 20.020 -3.201 -6.512 1.00 0.00 H new ATOM 0 HA THR A 74 22.618 -2.337 -5.815 1.00 0.00 H new ATOM 0 HB THR A 74 21.902 -3.289 -3.579 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.715 -4.074 -3.510 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.016 -1.701 -3.292 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.323 -0.978 -4.260 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.852 -1.580 -5.060 1.00 0.00 H new ATOM 630 N ASP A 75 23.875 -4.503 -4.998 1.00 0.00 N ATOM 631 CA ASP A 75 24.764 -5.652 -4.940 1.00 0.00 C ATOM 632 C ASP A 75 23.975 -6.898 -4.546 1.00 0.00 C ATOM 633 O ASP A 75 24.261 -7.988 -5.031 1.00 0.00 O ATOM 634 CB ASP A 75 25.886 -5.370 -3.936 1.00 0.00 C ATOM 635 CG ASP A 75 25.328 -4.956 -2.578 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.770 -3.836 -2.509 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.469 -5.761 -1.636 1.00 0.00 O ATOM 0 H ASP A 75 24.142 -3.739 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 75 25.208 -5.829 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.505 -6.260 -3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.531 -4.581 -4.322 1.00 0.00 H new ATOM 642 N VAL A 76 22.974 -6.730 -3.673 1.00 0.00 N ATOM 643 CA VAL A 76 22.134 -7.833 -3.239 1.00 0.00 C ATOM 644 C VAL A 76 21.361 -8.386 -4.438 1.00 0.00 C ATOM 645 O VAL A 76 21.333 -9.596 -4.651 1.00 0.00 O ATOM 646 CB VAL A 76 21.174 -7.347 -2.142 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.280 -8.505 -1.686 1.00 0.00 C ATOM 648 CG2 VAL A 76 21.978 -6.827 -0.944 1.00 0.00 C ATOM 0 H VAL A 76 22.732 -5.831 -3.256 1.00 0.00 H new ATOM 0 HA VAL A 76 22.751 -8.632 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 76 20.554 -6.544 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.601 -8.156 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.702 -8.874 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.900 -9.310 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.294 -6.483 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.602 -7.629 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.611 -5.999 -1.263 1.00 0.00 H new ATOM 658 N GLN A 77 20.733 -7.494 -5.220 1.00 0.00 N ATOM 659 CA GLN A 77 19.963 -7.895 -6.392 1.00 0.00 C ATOM 660 C GLN A 77 20.863 -8.615 -7.391 1.00 0.00 C ATOM 661 O GLN A 77 20.515 -9.687 -7.874 1.00 0.00 O ATOM 662 CB GLN A 77 19.338 -6.660 -7.049 1.00 0.00 C ATOM 663 CG GLN A 77 18.111 -6.202 -6.264 1.00 0.00 C ATOM 664 CD GLN A 77 17.550 -4.918 -6.865 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.845 -4.957 -7.874 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.873 -3.781 -6.250 1.00 0.00 N ATOM 0 H GLN A 77 20.748 -6.488 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 77 19.170 -8.575 -6.079 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.071 -5.854 -7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.055 -6.891 -8.076 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.349 -6.982 -6.278 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.379 -6.037 -5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.460 -3.801 -5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.533 -2.890 -6.613 1.00 0.00 H new ATOM 675 N CYS A 78 22.017 -8.015 -7.705 1.00 0.00 N ATOM 676 CA CYS A 78 22.953 -8.587 -8.666 1.00 0.00 C ATOM 677 C CYS A 78 23.412 -9.968 -8.198 1.00 0.00 C ATOM 678 O CYS A 78 23.354 -10.935 -8.958 1.00 0.00 O ATOM 679 CB CYS A 78 24.156 -7.652 -8.830 1.00 0.00 C ATOM 680 SG CYS A 78 23.621 -6.132 -9.659 1.00 0.00 S ATOM 0 H CYS A 78 22.322 -7.129 -7.302 1.00 0.00 H new ATOM 0 HA CYS A 78 22.455 -8.698 -9.629 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.585 -7.417 -7.856 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.936 -8.142 -9.412 1.00 0.00 H new ATOM 0 HG CYS A 78 23.136 -5.306 -8.780 1.00 0.00 H new ATOM 686 N GLN A 79 23.873 -10.054 -6.945 1.00 0.00 N ATOM 687 CA GLN A 79 24.357 -11.301 -6.379 1.00 0.00 C ATOM 688 C GLN A 79 23.275 -12.373 -6.451 1.00 0.00 C ATOM 689 O GLN A 79 23.502 -13.440 -7.017 1.00 0.00 O ATOM 690 CB GLN A 79 24.788 -11.065 -4.929 1.00 0.00 C ATOM 691 CG GLN A 79 25.255 -12.384 -4.311 1.00 0.00 C ATOM 692 CD GLN A 79 26.033 -12.142 -3.024 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.632 -11.329 -2.197 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.149 -12.851 -2.855 1.00 0.00 N ATOM 0 H GLN A 79 23.918 -9.261 -6.305 1.00 0.00 H new ATOM 0 HA GLN A 79 25.215 -11.650 -6.954 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.592 -10.330 -4.893 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.957 -10.656 -4.354 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.393 -13.018 -4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 79 25.882 -12.921 -5.023 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.444 -13.516 -3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.708 -12.729 -2.011 1.00 0.00 H new ATOM 703 N HIS A 80 22.102 -12.089 -5.873 1.00 0.00 N ATOM 704 CA HIS A 80 20.997 -13.033 -5.861 1.00 0.00 C ATOM 705 C HIS A 80 20.659 -13.467 -7.277 1.00 0.00 C ATOM 706 O HIS A 80 20.647 -14.656 -7.572 1.00 0.00 O ATOM 707 CB HIS A 80 19.772 -12.388 -5.207 1.00 0.00 C ATOM 708 CG HIS A 80 19.826 -12.407 -3.703 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.808 -11.884 -2.917 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.751 -12.887 -2.809 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.169 -12.076 -1.635 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.347 -12.685 -1.498 1.00 0.00 N ATOM 0 H HIS A 80 21.901 -11.205 -5.406 1.00 0.00 H new ATOM 0 HA HIS A 80 21.291 -13.912 -5.287 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.686 -11.356 -5.548 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.874 -12.909 -5.539 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.678 -13.363 -3.092 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.562 -11.766 -0.797 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.833 -12.940 -0.638 1.00 0.00 H new ATOM 720 N ARG A 81 20.374 -12.500 -8.152 1.00 0.00 N ATOM 721 CA ARG A 81 19.990 -12.795 -9.519 1.00 0.00 C ATOM 722 C ARG A 81 20.977 -13.768 -10.157 1.00 0.00 C ATOM 723 O ARG A 81 20.564 -14.661 -10.887 1.00 0.00 O ATOM 724 CB ARG A 81 19.902 -11.495 -10.330 1.00 0.00 C ATOM 725 CG ARG A 81 19.471 -11.793 -11.779 1.00 0.00 C ATOM 726 CD ARG A 81 18.111 -12.503 -11.793 1.00 0.00 C ATOM 727 NE ARG A 81 17.574 -12.597 -13.155 1.00 0.00 N ATOM 728 CZ ARG A 81 16.407 -13.197 -13.439 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.686 -13.763 -12.461 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.960 -13.232 -14.700 1.00 0.00 N ATOM 0 H ARG A 81 20.404 -11.505 -7.929 1.00 0.00 H new ATOM 0 HA ARG A 81 19.009 -13.269 -9.514 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.188 -10.816 -9.864 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.869 -10.992 -10.328 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.410 -10.864 -12.346 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.220 -12.416 -12.268 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.216 -13.503 -11.371 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.409 -11.961 -11.159 1.00 0.00 H new ATOM 0 HE ARG A 81 18.111 -12.188 -13.920 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.024 -13.738 -11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.800 -14.218 -12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.506 -12.803 -15.447 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.073 -13.688 -14.914 1.00 0.00 H new ATOM 744 N TRP A 82 22.278 -13.605 -9.895 1.00 0.00 N ATOM 745 CA TRP A 82 23.265 -14.479 -10.493 1.00 0.00 C ATOM 746 C TRP A 82 23.445 -15.767 -9.678 1.00 0.00 C ATOM 747 O TRP A 82 22.981 -16.823 -10.088 1.00 0.00 O ATOM 748 CB TRP A 82 24.599 -13.752 -10.667 1.00 0.00 C ATOM 749 CG TRP A 82 25.555 -14.528 -11.510 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.538 -15.322 -11.056 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.587 -14.662 -12.961 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.172 -15.956 -12.095 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.620 -15.588 -13.306 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.837 -14.115 -14.029 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.882 -15.958 -14.626 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.105 -14.485 -15.363 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.123 -15.409 -15.656 1.00 0.00 C ATOM 0 H TRP A 82 22.658 -12.884 -9.281 1.00 0.00 H new ATOM 0 HA TRP A 82 22.899 -14.764 -11.479 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.424 -12.777 -11.122 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.043 -13.571 -9.688 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.795 -15.445 -10.014 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.947 -16.611 -11.987 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.050 -13.406 -13.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.668 -16.665 -14.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.524 -14.055 -16.166 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.316 -15.693 -16.680 1.00 0.00 H new ATOM 768 N GLN A 83 24.138 -15.681 -8.539 1.00 0.00 N ATOM 769 CA GLN A 83 24.475 -16.854 -7.735 1.00 0.00 C ATOM 770 C GLN A 83 23.248 -17.715 -7.411 1.00 0.00 C ATOM 771 O GLN A 83 23.371 -18.934 -7.315 1.00 0.00 O ATOM 772 CB GLN A 83 25.171 -16.404 -6.445 1.00 0.00 C ATOM 773 CG GLN A 83 26.520 -15.757 -6.786 1.00 0.00 C ATOM 774 CD GLN A 83 27.393 -15.595 -5.542 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.763 -14.481 -5.179 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.727 -16.710 -4.891 1.00 0.00 N ATOM 0 H GLN A 83 24.478 -14.801 -8.152 1.00 0.00 H new ATOM 0 HA GLN A 83 25.149 -17.478 -8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.541 -15.694 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.322 -17.258 -5.785 1.00 0.00 H new ATOM 0 HG2 GLN A 83 27.043 -16.369 -7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.352 -14.782 -7.244 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.398 -17.615 -5.227 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.312 -16.658 -4.057 1.00 0.00 H new ATOM 785 N LYS A 84 22.073 -17.099 -7.229 1.00 0.00 N ATOM 786 CA LYS A 84 20.872 -17.844 -6.866 1.00 0.00 C ATOM 787 C LYS A 84 20.145 -18.389 -8.106 1.00 0.00 C ATOM 788 O LYS A 84 19.281 -19.254 -7.963 1.00 0.00 O ATOM 789 CB LYS A 84 19.943 -16.939 -6.043 1.00 0.00 C ATOM 790 CG LYS A 84 19.149 -17.779 -5.041 1.00 0.00 C ATOM 791 CD LYS A 84 18.262 -16.861 -4.196 1.00 0.00 C ATOM 792 CE LYS A 84 17.474 -17.697 -3.183 1.00 0.00 C ATOM 793 NZ LYS A 84 16.618 -16.840 -2.343 1.00 0.00 N ATOM 0 H LYS A 84 21.934 -16.093 -7.328 1.00 0.00 H new ATOM 0 HA LYS A 84 21.166 -18.705 -6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.529 -16.186 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.261 -16.406 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.536 -18.510 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.830 -18.337 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.875 -16.124 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.576 -16.309 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.859 -18.427 -3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 84 18.165 -18.257 -2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.095 -17.430 -1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.210 -16.160 -1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.945 -16.325 -2.945 1.00 0.00 H new ATOM 807 N VAL A 85 20.478 -17.894 -9.317 1.00 0.00 N ATOM 808 CA VAL A 85 19.814 -18.352 -10.541 1.00 0.00 C ATOM 809 C VAL A 85 20.848 -18.623 -11.651 1.00 0.00 C ATOM 810 O VAL A 85 21.134 -19.783 -11.944 1.00 0.00 O ATOM 811 CB VAL A 85 18.758 -17.319 -10.989 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.825 -17.958 -12.020 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.932 -16.844 -9.784 1.00 0.00 C ATOM 0 H VAL A 85 21.196 -17.185 -9.466 1.00 0.00 H new ATOM 0 HA VAL A 85 19.301 -19.292 -10.336 1.00 0.00 H new ATOM 0 HB VAL A 85 19.268 -16.463 -11.430 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.079 -17.229 -12.337 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.405 -18.282 -12.884 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.325 -18.818 -11.575 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.191 -16.116 -10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.426 -17.696 -9.331 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.592 -16.382 -9.050 1.00 0.00 H new ATOM 823 N LEU A 86 21.406 -17.568 -12.276 1.00 0.00 N ATOM 824 CA LEU A 86 22.386 -17.743 -13.352 1.00 0.00 C ATOM 825 C LEU A 86 23.712 -18.217 -12.768 1.00 0.00 C ATOM 826 O LEU A 86 24.488 -17.413 -12.265 1.00 0.00 O ATOM 827 CB LEU A 86 22.628 -16.422 -14.108 1.00 0.00 C ATOM 828 CG LEU A 86 21.417 -15.967 -14.945 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.750 -17.156 -15.634 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.410 -15.236 -14.061 1.00 0.00 C ATOM 0 H LEU A 86 21.194 -16.596 -12.053 1.00 0.00 H new ATOM 0 HA LEU A 86 21.988 -18.482 -14.048 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.878 -15.641 -13.390 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.490 -16.540 -14.764 1.00 0.00 H new ATOM 0 HG LEU A 86 21.774 -15.284 -15.716 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.898 -16.807 -16.218 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.467 -17.643 -16.294 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.408 -17.867 -14.882 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.559 -14.919 -14.664 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.067 -15.904 -13.271 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.884 -14.361 -13.616 1.00 0.00 H new ATOM 842 N ASN A 87 23.981 -19.519 -12.846 1.00 0.00 N ATOM 843 CA ASN A 87 25.230 -20.069 -12.349 1.00 0.00 C ATOM 844 C ASN A 87 25.563 -21.358 -13.106 1.00 0.00 C ATOM 845 O ASN A 87 25.328 -22.453 -12.594 1.00 0.00 O ATOM 846 CB ASN A 87 25.105 -20.322 -10.839 1.00 0.00 C ATOM 847 CG ASN A 87 26.460 -20.661 -10.220 1.00 0.00 C ATOM 848 OD1 ASN A 87 27.123 -19.790 -9.663 1.00 0.00 O ATOM 849 ND2 ASN A 87 26.867 -21.926 -10.317 1.00 0.00 N ATOM 0 H ASN A 87 23.347 -20.209 -13.250 1.00 0.00 H new ATOM 0 HA ASN A 87 26.044 -19.363 -12.514 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.691 -19.438 -10.353 1.00 0.00 H new ATOM 0 HB3 ASN A 87 24.407 -21.140 -10.662 1.00 0.00 H new ATOM 0 HD21 ASN A 87 27.764 -22.205 -9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 87 26.282 -22.615 -10.789 1.00 0.00 H new ATOM 856 N PRO A 88 26.114 -21.235 -14.332 1.00 0.00 N ATOM 857 CA PRO A 88 26.493 -22.378 -15.133 1.00 0.00 C ATOM 858 C PRO A 88 27.643 -23.114 -14.449 1.00 0.00 C ATOM 859 O PRO A 88 28.791 -22.678 -14.521 1.00 0.00 O ATOM 860 CB PRO A 88 26.904 -21.816 -16.499 1.00 0.00 C ATOM 861 CG PRO A 88 26.923 -20.287 -16.361 1.00 0.00 C ATOM 862 CD PRO A 88 26.384 -19.960 -14.967 1.00 0.00 C ATOM 0 HA PRO A 88 25.683 -23.098 -15.251 1.00 0.00 H new ATOM 0 HB2 PRO A 88 27.885 -22.190 -16.792 1.00 0.00 H new ATOM 0 HB3 PRO A 88 26.201 -22.126 -17.272 1.00 0.00 H new ATOM 0 HG2 PRO A 88 27.935 -19.901 -16.484 1.00 0.00 H new ATOM 0 HG3 PRO A 88 26.308 -19.822 -17.132 1.00 0.00 H new ATOM 0 HD2 PRO A 88 27.111 -19.385 -14.393 1.00 0.00 H new ATOM 0 HD3 PRO A 88 25.478 -19.357 -15.031 1.00 0.00 H new ATOM 870 N GLU A 89 27.327 -24.224 -13.774 1.00 0.00 N ATOM 871 CA GLU A 89 28.316 -24.991 -13.038 1.00 0.00 C ATOM 872 C GLU A 89 27.848 -26.439 -12.914 1.00 0.00 C ATOM 873 O GLU A 89 26.650 -26.704 -12.851 1.00 0.00 O ATOM 874 CB GLU A 89 28.492 -24.344 -11.660 1.00 0.00 C ATOM 875 CG GLU A 89 29.695 -24.943 -10.929 1.00 0.00 C ATOM 876 CD GLU A 89 29.953 -24.208 -9.615 1.00 0.00 C ATOM 877 OE1 GLU A 89 29.198 -23.245 -9.339 1.00 0.00 O ATOM 878 OE2 GLU A 89 30.898 -24.623 -8.912 1.00 0.00 O ATOM 0 H GLU A 89 26.383 -24.607 -13.727 1.00 0.00 H new ATOM 0 HA GLU A 89 29.274 -24.993 -13.558 1.00 0.00 H new ATOM 0 HB2 GLU A 89 28.628 -23.268 -11.773 1.00 0.00 H new ATOM 0 HB3 GLU A 89 27.590 -24.491 -11.066 1.00 0.00 H new ATOM 0 HG2 GLU A 89 29.516 -26.000 -10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 89 30.579 -24.883 -11.564 1.00 0.00 H new HETATM 885 N NH2 A 90 28.795 -27.376 -12.882 1.00 0.00 N TER 888 NH2 A 90 CONECT 872 885 CONECT 885 872 886 887 CONECT 886 885 CONECT 887 885 END