USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 452 hydrogens (2 hets) HEADER DNA BINDING PROTEIN 19-MAY-95 1MBJ TITLE MOUSE C-MYB DNA-BINDING DOMAIN REPEAT 3 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 1MBJ 1 JRNL VERSN REVDAT 3 24-FEB-09 1MBJ 1 VERSN REVDAT 2 01-APR-03 1MBJ 1 JRNL REVDAT 1 31-JUL-95 1MBJ 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 1MBJ 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 THR A 145 -153.39 42.86 REMARK 500 TRP A 147 115.78 62.48 REMARK 500 ASN A 164 33.36 -83.22 REMARK 500 SER A 187 -52.81 -165.57 REMARK 500 MET A 189 66.54 -106.18 REMARK 500 ARG A 191 67.21 -119.05 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 194 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1MBK RELATED DB: PDB DBREF 1MBJ A 142 193 UNP P06876 MYB_MOUSE 142 193 SEQRES 1 A 53 VAL LYS LYS THR SER TRP THR GLU GLU GLU ASP ARG ILE SEQRES 2 A 53 ILE TYR GLN ALA HIS LYS ARG LEU GLY ASN ARG TRP ALA SEQRES 3 A 53 GLU ILE ALA LYS LEU LEU PRO GLY ARG THR ASP ASN ALA SEQRES 4 A 53 ILE LYS ASN HIS TRP ASN SER THR MET ARG ARG LYS VAL SEQRES 5 A 53 NH2 HET NH2 A 194 3 HETNAM NH2 AMINO GROUP FORMUL 1 NH2 H2 N HELIX 1 H1 GLU A 149 LEU A 162 1 14 HELIX 2 H2 TRP A 166 LEU A 172 1 7 HELIX 3 H3 ASP A 178 SER A 187 1 10 LINK C VAL A 193 N NH2 A 194 1555 1555 1.34 SITE *** AC1 2 TYR A 156 VAL A 193 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 159 HIS : no HD1:sc= -0.202 K(o=4.9,f=4.3) USER MOD Set 1.2: A 164 ASN : amide:sc= 1.08 K(o=4.9,f=-6.7!) USER MOD Set 1.3: A 186 ASN : amide:sc= 2.02 K(o=4.9,f=-9.2!) USER MOD Set 1.4: A 192 LYS NZ :NH3+ 179:sc= 2.04 (180deg=-0.228) USER MOD Set 2.1: A 184 HIS : no HD1:sc= -0.0879 X(o=0.039,f=-0.31) USER MOD Set 2.2: A 188 THR OG1 : rot 141:sc= 0.127 USER MOD Set 3.1: A 179 ASN : amide:sc= 0.979 K(o=-0.68,f=-1.8) USER MOD Set 3.2: A 182 LYS NZ :NH3+ -158:sc= -1.66 (180deg=-2.82!) USER MOD Set 4.1: A 156 TYR OH : rot 131:sc= 0.703 USER MOD Set 4.2: A 160 LYS NZ :NH3+ 157:sc= 1.45 (180deg=1.11) USER MOD Single : A 143 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0837) USER MOD Single : A 144 LYS NZ :NH3+ 130:sc= 1.26 (180deg=0.74) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0.475 USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 157 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.3) USER MOD Single : A 171 LYS NZ :NH3+ -169:sc= 1.21 (180deg=1.13) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 183 ASN : amide:sc= -0.0611 X(o=-0.061,f=0) USER MOD Single : A 187 SER OG : rot 11:sc= 1.11 USER MOD Single : A 189 MET CE :methyl -148:sc= -0.146 (180deg=-0.786) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 142 0.083 -10.465 -18.309 1.00 0.00 N ATOM 2 CA VAL A 142 0.626 -10.069 -16.997 1.00 0.00 C ATOM 3 C VAL A 142 2.021 -9.469 -17.173 1.00 0.00 C ATOM 4 O VAL A 142 2.723 -9.809 -18.124 1.00 0.00 O ATOM 5 CB VAL A 142 0.650 -11.279 -16.041 1.00 0.00 C ATOM 6 CG1 VAL A 142 1.697 -12.304 -16.498 1.00 0.00 C ATOM 7 CG2 VAL A 142 0.976 -10.819 -14.616 1.00 0.00 C ATOM 0 HA VAL A 142 -0.018 -9.309 -16.554 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.335 -11.746 -16.055 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.700 -13.151 -15.812 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.453 -12.651 -17.502 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.683 -11.839 -16.505 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.990 -11.681 -13.950 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.953 -10.335 -14.604 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.217 -10.113 -14.279 1.00 0.00 H new ATOM 19 N LYS A 143 2.417 -8.576 -16.258 1.00 0.00 N ATOM 20 CA LYS A 143 3.725 -7.941 -16.317 1.00 0.00 C ATOM 21 C LYS A 143 4.811 -8.988 -16.072 1.00 0.00 C ATOM 22 O LYS A 143 4.651 -9.860 -15.221 1.00 0.00 O ATOM 23 CB LYS A 143 3.802 -6.829 -15.265 1.00 0.00 C ATOM 24 CG LYS A 143 2.806 -5.715 -15.605 1.00 0.00 C ATOM 25 CD LYS A 143 2.931 -4.587 -14.575 1.00 0.00 C ATOM 26 CE LYS A 143 1.847 -3.529 -14.817 1.00 0.00 C ATOM 27 NZ LYS A 143 2.054 -2.830 -16.099 1.00 0.00 N ATOM 0 H LYS A 143 1.843 -8.281 -15.468 1.00 0.00 H new ATOM 0 HA LYS A 143 3.878 -7.501 -17.302 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.582 -7.235 -14.278 1.00 0.00 H new ATOM 0 HB3 LYS A 143 4.813 -6.424 -15.225 1.00 0.00 H new ATOM 0 HG2 LYS A 143 3.001 -5.331 -16.606 1.00 0.00 H new ATOM 0 HG3 LYS A 143 1.790 -6.109 -15.607 1.00 0.00 H new ATOM 0 HD2 LYS A 143 2.836 -4.992 -13.567 1.00 0.00 H new ATOM 0 HD3 LYS A 143 3.918 -4.130 -14.643 1.00 0.00 H new ATOM 0 HE2 LYS A 143 0.866 -4.004 -14.814 1.00 0.00 H new ATOM 0 HE3 LYS A 143 1.854 -2.806 -14.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 1.389 -2.033 -16.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 3.030 -2.473 -16.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 1.889 -3.491 -16.885 1.00 0.00 H new ATOM 41 N LYS A 144 5.915 -8.897 -16.822 1.00 0.00 N ATOM 42 CA LYS A 144 7.020 -9.833 -16.685 1.00 0.00 C ATOM 43 C LYS A 144 7.710 -9.620 -15.339 1.00 0.00 C ATOM 44 O LYS A 144 7.741 -10.531 -14.515 1.00 0.00 O ATOM 45 CB LYS A 144 8.010 -9.631 -17.840 1.00 0.00 C ATOM 46 CG LYS A 144 7.394 -10.145 -19.149 1.00 0.00 C ATOM 47 CD LYS A 144 8.174 -9.598 -20.356 1.00 0.00 C ATOM 48 CE LYS A 144 9.606 -10.156 -20.384 1.00 0.00 C ATOM 49 NZ LYS A 144 9.613 -11.621 -20.558 1.00 0.00 N ATOM 0 H LYS A 144 6.061 -8.179 -17.531 1.00 0.00 H new ATOM 0 HA LYS A 144 6.643 -10.855 -16.723 1.00 0.00 H new ATOM 0 HB2 LYS A 144 8.261 -8.575 -17.936 1.00 0.00 H new ATOM 0 HB3 LYS A 144 8.939 -10.162 -17.632 1.00 0.00 H new ATOM 0 HG2 LYS A 144 7.408 -11.235 -19.162 1.00 0.00 H new ATOM 0 HG3 LYS A 144 6.350 -9.838 -19.213 1.00 0.00 H new ATOM 0 HD2 LYS A 144 7.658 -9.864 -21.278 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.205 -8.509 -20.311 1.00 0.00 H new ATOM 0 HE2 LYS A 144 10.163 -9.690 -21.196 1.00 0.00 H new ATOM 0 HE3 LYS A 144 10.117 -9.896 -19.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 10.265 -11.876 -21.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 9.925 -12.074 -19.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 8.654 -11.947 -20.794 1.00 0.00 H new ATOM 63 N THR A 145 8.261 -8.405 -15.135 1.00 0.00 N ATOM 64 CA THR A 145 8.974 -8.027 -13.909 1.00 0.00 C ATOM 65 C THR A 145 9.906 -9.165 -13.445 1.00 0.00 C ATOM 66 O THR A 145 10.363 -9.959 -14.268 1.00 0.00 O ATOM 67 CB THR A 145 7.957 -7.590 -12.822 1.00 0.00 C ATOM 68 OG1 THR A 145 8.650 -7.050 -11.714 1.00 0.00 O ATOM 69 CG2 THR A 145 7.085 -8.763 -12.353 1.00 0.00 C ATOM 0 H THR A 145 8.220 -7.656 -15.826 1.00 0.00 H new ATOM 0 HA THR A 145 9.618 -7.171 -14.108 1.00 0.00 H new ATOM 0 HB THR A 145 7.303 -6.838 -13.262 1.00 0.00 H new ATOM 0 HG1 THR A 145 8.006 -6.773 -11.029 1.00 0.00 H new ATOM 0 HG21 THR A 145 6.386 -8.415 -11.592 1.00 0.00 H new ATOM 0 HG22 THR A 145 6.529 -9.164 -13.200 1.00 0.00 H new ATOM 0 HG23 THR A 145 7.720 -9.543 -11.933 1.00 0.00 H new ATOM 77 N SER A 146 10.191 -9.231 -12.132 1.00 0.00 N ATOM 78 CA SER A 146 11.055 -10.261 -11.558 1.00 0.00 C ATOM 79 C SER A 146 12.309 -10.445 -12.416 1.00 0.00 C ATOM 80 O SER A 146 12.509 -11.512 -12.989 1.00 0.00 O ATOM 81 CB SER A 146 10.271 -11.572 -11.446 1.00 0.00 C ATOM 82 OG SER A 146 9.155 -11.382 -10.601 1.00 0.00 O ATOM 0 H SER A 146 9.826 -8.570 -11.446 1.00 0.00 H new ATOM 0 HA SER A 146 11.376 -9.954 -10.563 1.00 0.00 H new ATOM 0 HB2 SER A 146 9.942 -11.897 -12.433 1.00 0.00 H new ATOM 0 HB3 SER A 146 10.912 -12.359 -11.048 1.00 0.00 H new ATOM 0 HG SER A 146 8.652 -12.220 -10.530 1.00 0.00 H new ATOM 88 N TRP A 147 13.141 -9.387 -12.488 1.00 0.00 N ATOM 89 CA TRP A 147 14.374 -9.375 -13.281 1.00 0.00 C ATOM 90 C TRP A 147 14.069 -9.550 -14.774 1.00 0.00 C ATOM 91 O TRP A 147 13.565 -10.585 -15.200 1.00 0.00 O ATOM 92 CB TRP A 147 15.340 -10.451 -12.777 1.00 0.00 C ATOM 93 CG TRP A 147 16.152 -10.030 -11.598 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.025 -10.490 -10.345 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.223 -9.053 -11.544 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.947 -9.898 -9.510 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.723 -8.991 -10.207 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.827 -8.206 -12.491 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.774 -8.147 -9.840 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.879 -7.346 -12.127 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.358 -7.324 -10.811 1.00 0.00 C ATOM 0 H TRP A 147 12.970 -8.513 -11.991 1.00 0.00 H new ATOM 0 HA TRP A 147 14.855 -8.405 -13.159 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.770 -11.342 -12.514 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.013 -10.730 -13.588 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.298 -11.225 -10.033 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.044 -10.101 -8.515 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.478 -8.216 -13.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.131 -8.129 -8.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.321 -6.697 -12.869 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.177 -6.673 -10.545 1.00 0.00 H new ATOM 112 N THR A 148 14.379 -8.520 -15.572 1.00 0.00 N ATOM 113 CA THR A 148 14.120 -8.555 -17.004 1.00 0.00 C ATOM 114 C THR A 148 15.212 -9.349 -17.717 1.00 0.00 C ATOM 115 O THR A 148 16.314 -9.521 -17.195 1.00 0.00 O ATOM 116 CB THR A 148 14.045 -7.127 -17.560 1.00 0.00 C ATOM 117 OG1 THR A 148 15.324 -6.535 -17.522 1.00 0.00 O ATOM 118 CG2 THR A 148 13.065 -6.290 -16.732 1.00 0.00 C ATOM 0 H THR A 148 14.809 -7.655 -15.243 1.00 0.00 H new ATOM 0 HA THR A 148 13.164 -9.048 -17.179 1.00 0.00 H new ATOM 0 HB THR A 148 13.694 -7.166 -18.591 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.273 -5.624 -17.879 1.00 0.00 H new ATOM 0 HG21 THR A 148 13.020 -5.278 -17.135 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.074 -6.742 -16.774 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.403 -6.253 -15.696 1.00 0.00 H new ATOM 126 N GLU A 149 14.896 -9.826 -18.924 1.00 0.00 N ATOM 127 CA GLU A 149 15.831 -10.595 -19.727 1.00 0.00 C ATOM 128 C GLU A 149 17.064 -9.750 -20.049 1.00 0.00 C ATOM 129 O GLU A 149 18.174 -10.273 -20.126 1.00 0.00 O ATOM 130 CB GLU A 149 15.138 -11.033 -21.021 1.00 0.00 C ATOM 131 CG GLU A 149 13.942 -11.936 -20.704 1.00 0.00 C ATOM 132 CD GLU A 149 13.112 -12.191 -21.955 1.00 0.00 C ATOM 133 OE1 GLU A 149 13.723 -12.221 -23.045 1.00 0.00 O ATOM 134 OE2 GLU A 149 11.881 -12.346 -21.796 1.00 0.00 O ATOM 0 H GLU A 149 13.987 -9.687 -19.365 1.00 0.00 H new ATOM 0 HA GLU A 149 16.152 -11.476 -19.171 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.804 -10.157 -21.577 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.845 -11.564 -21.658 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.294 -12.884 -20.296 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.321 -11.470 -19.939 1.00 0.00 H new ATOM 141 N GLU A 150 16.867 -8.441 -20.243 1.00 0.00 N ATOM 142 CA GLU A 150 17.961 -7.545 -20.568 1.00 0.00 C ATOM 143 C GLU A 150 18.893 -7.407 -19.369 1.00 0.00 C ATOM 144 O GLU A 150 20.108 -7.484 -19.521 1.00 0.00 O ATOM 145 CB GLU A 150 17.402 -6.183 -21.000 1.00 0.00 C ATOM 146 CG GLU A 150 18.429 -5.458 -21.878 1.00 0.00 C ATOM 147 CD GLU A 150 18.696 -6.242 -23.158 1.00 0.00 C ATOM 148 OE1 GLU A 150 17.748 -6.356 -23.963 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.839 -6.726 -23.305 1.00 0.00 O ATOM 0 H GLU A 150 15.956 -7.987 -20.178 1.00 0.00 H new ATOM 0 HA GLU A 150 18.538 -7.955 -21.397 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.471 -6.319 -21.550 1.00 0.00 H new ATOM 0 HB3 GLU A 150 17.169 -5.580 -20.123 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.063 -4.462 -22.126 1.00 0.00 H new ATOM 0 HG3 GLU A 150 19.359 -5.328 -21.325 1.00 0.00 H new ATOM 156 N GLU A 151 18.327 -7.210 -18.173 1.00 0.00 N ATOM 157 CA GLU A 151 19.125 -7.090 -16.964 1.00 0.00 C ATOM 158 C GLU A 151 20.017 -8.322 -16.812 1.00 0.00 C ATOM 159 O GLU A 151 21.197 -8.197 -16.489 1.00 0.00 O ATOM 160 CB GLU A 151 18.210 -6.953 -15.752 1.00 0.00 C ATOM 161 CG GLU A 151 17.704 -5.514 -15.622 1.00 0.00 C ATOM 162 CD GLU A 151 16.769 -5.381 -14.424 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.769 -6.135 -14.386 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.070 -4.531 -13.558 1.00 0.00 O ATOM 0 H GLU A 151 17.321 -7.131 -18.024 1.00 0.00 H new ATOM 0 HA GLU A 151 19.754 -6.202 -17.034 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.365 -7.635 -15.848 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.748 -7.238 -14.848 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.549 -4.834 -15.508 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.181 -5.223 -16.533 1.00 0.00 H new ATOM 171 N ASP A 152 19.451 -9.513 -17.048 1.00 0.00 N ATOM 172 CA ASP A 152 20.202 -10.756 -16.943 1.00 0.00 C ATOM 173 C ASP A 152 21.413 -10.710 -17.874 1.00 0.00 C ATOM 174 O ASP A 152 22.515 -11.080 -17.473 1.00 0.00 O ATOM 175 CB ASP A 152 19.296 -11.943 -17.294 1.00 0.00 C ATOM 176 CG ASP A 152 18.141 -12.082 -16.305 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.288 -11.567 -15.174 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.133 -12.704 -16.702 1.00 0.00 O ATOM 0 H ASP A 152 18.474 -9.634 -17.313 1.00 0.00 H new ATOM 0 HA ASP A 152 20.555 -10.880 -15.919 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.900 -11.813 -18.301 1.00 0.00 H new ATOM 0 HB3 ASP A 152 19.884 -12.861 -17.299 1.00 0.00 H new ATOM 183 N ARG A 153 21.210 -10.250 -19.118 1.00 0.00 N ATOM 184 CA ARG A 153 22.293 -10.148 -20.089 1.00 0.00 C ATOM 185 C ARG A 153 23.365 -9.178 -19.583 1.00 0.00 C ATOM 186 O ARG A 153 24.556 -9.463 -19.699 1.00 0.00 O ATOM 187 CB ARG A 153 21.739 -9.685 -21.444 1.00 0.00 C ATOM 188 CG ARG A 153 21.013 -10.844 -22.135 1.00 0.00 C ATOM 189 CD ARG A 153 20.596 -10.425 -23.550 1.00 0.00 C ATOM 190 NE ARG A 153 19.446 -9.507 -23.524 1.00 0.00 N ATOM 191 CZ ARG A 153 18.164 -9.926 -23.537 1.00 0.00 C ATOM 192 NH1 ARG A 153 17.877 -11.228 -23.395 1.00 0.00 N ATOM 193 NH2 ARG A 153 17.172 -9.042 -23.694 1.00 0.00 N ATOM 0 H ARG A 153 20.302 -9.944 -19.469 1.00 0.00 H new ATOM 0 HA ARG A 153 22.751 -11.129 -20.218 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.054 -8.850 -21.300 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.552 -9.326 -22.075 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.664 -11.717 -22.181 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.135 -11.131 -21.557 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.436 -9.943 -24.050 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.343 -11.310 -24.133 1.00 0.00 H new ATOM 0 HE ARG A 153 19.628 -8.504 -23.495 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.630 -11.906 -23.277 1.00 0.00 H new ATOM 0 HH12 ARG A 153 16.906 -11.540 -23.405 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.385 -8.051 -23.804 1.00 0.00 H new ATOM 0 HH22 ARG A 153 16.203 -9.360 -23.704 1.00 0.00 H new ATOM 207 N ILE A 154 22.944 -8.034 -19.021 1.00 0.00 N ATOM 208 CA ILE A 154 23.879 -7.037 -18.506 1.00 0.00 C ATOM 209 C ILE A 154 24.758 -7.663 -17.424 1.00 0.00 C ATOM 210 O ILE A 154 25.986 -7.580 -17.495 1.00 0.00 O ATOM 211 CB ILE A 154 23.103 -5.827 -17.941 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.360 -5.089 -19.075 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.074 -4.867 -17.239 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.323 -4.216 -19.892 1.00 0.00 C ATOM 0 H ILE A 154 21.961 -7.782 -18.914 1.00 0.00 H new ATOM 0 HA ILE A 154 24.518 -6.689 -19.318 1.00 0.00 H new ATOM 0 HB ILE A 154 22.370 -6.186 -17.219 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.878 -5.815 -19.730 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.571 -4.467 -18.652 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.521 -4.016 -16.843 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.573 -5.388 -16.422 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.818 -4.515 -17.954 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.772 -3.708 -20.683 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.785 -3.475 -19.239 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.097 -4.844 -20.334 1.00 0.00 H new ATOM 226 N ILE A 155 24.129 -8.286 -16.420 1.00 0.00 N ATOM 227 CA ILE A 155 24.858 -8.896 -15.319 1.00 0.00 C ATOM 228 C ILE A 155 25.770 -9.996 -15.844 1.00 0.00 C ATOM 229 O ILE A 155 26.918 -10.075 -15.440 1.00 0.00 O ATOM 230 CB ILE A 155 23.876 -9.461 -14.284 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.040 -8.325 -13.689 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.660 -10.153 -13.158 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.759 -8.892 -13.087 1.00 0.00 C ATOM 0 H ILE A 155 23.115 -8.377 -16.354 1.00 0.00 H new ATOM 0 HA ILE A 155 25.472 -8.136 -14.835 1.00 0.00 H new ATOM 0 HB ILE A 155 23.218 -10.180 -14.771 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.613 -7.801 -12.923 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.798 -7.595 -14.461 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.963 -10.554 -12.423 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.255 -10.965 -13.575 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.319 -9.431 -12.676 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.166 -8.081 -12.664 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.184 -9.396 -13.864 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.011 -9.605 -12.302 1.00 0.00 H new ATOM 245 N TYR A 156 25.258 -10.849 -16.737 1.00 0.00 N ATOM 246 CA TYR A 156 26.042 -11.948 -17.283 1.00 0.00 C ATOM 247 C TYR A 156 27.309 -11.423 -17.952 1.00 0.00 C ATOM 248 O TYR A 156 28.402 -11.890 -17.650 1.00 0.00 O ATOM 249 CB TYR A 156 25.200 -12.748 -18.282 1.00 0.00 C ATOM 250 CG TYR A 156 25.949 -13.933 -18.858 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.741 -13.774 -20.011 1.00 0.00 C ATOM 252 CD2 TYR A 156 25.873 -15.188 -18.228 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.458 -14.866 -20.528 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.590 -16.279 -18.746 1.00 0.00 C ATOM 255 CZ TYR A 156 27.386 -16.117 -19.894 1.00 0.00 C ATOM 256 OH TYR A 156 28.096 -17.174 -20.390 1.00 0.00 O ATOM 0 H TYR A 156 24.304 -10.795 -17.093 1.00 0.00 H new ATOM 0 HA TYR A 156 26.336 -12.606 -16.466 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.294 -13.100 -17.788 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.886 -12.092 -19.094 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.797 -12.812 -20.498 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.263 -15.313 -17.346 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.065 -14.743 -21.413 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.530 -17.243 -18.262 1.00 0.00 H new ATOM 0 HH TYR A 156 28.595 -17.603 -19.663 1.00 0.00 H new ATOM 266 N GLN A 157 27.162 -10.460 -18.866 1.00 0.00 N ATOM 267 CA GLN A 157 28.294 -9.904 -19.592 1.00 0.00 C ATOM 268 C GLN A 157 29.321 -9.325 -18.618 1.00 0.00 C ATOM 269 O GLN A 157 30.513 -9.624 -18.719 1.00 0.00 O ATOM 270 CB GLN A 157 27.785 -8.829 -20.562 1.00 0.00 C ATOM 271 CG GLN A 157 28.930 -8.337 -21.461 1.00 0.00 C ATOM 272 CD GLN A 157 29.541 -7.044 -20.926 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.015 -5.962 -21.167 1.00 0.00 O ATOM 274 NE2 GLN A 157 30.655 -7.156 -20.201 1.00 0.00 N ATOM 0 H GLN A 157 26.262 -10.051 -19.118 1.00 0.00 H new ATOM 0 HA GLN A 157 28.789 -10.691 -20.161 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.980 -9.235 -21.175 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.368 -7.992 -20.002 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.700 -9.106 -21.526 1.00 0.00 H new ATOM 0 HG3 GLN A 157 28.557 -8.174 -22.472 1.00 0.00 H new ATOM 0 HE21 GLN A 157 31.059 -8.076 -20.025 1.00 0.00 H new ATOM 0 HE22 GLN A 157 31.103 -6.322 -19.823 1.00 0.00 H new ATOM 283 N ALA A 158 28.860 -8.492 -17.680 1.00 0.00 N ATOM 284 CA ALA A 158 29.741 -7.848 -16.719 1.00 0.00 C ATOM 285 C ALA A 158 30.388 -8.882 -15.791 1.00 0.00 C ATOM 286 O ALA A 158 31.554 -8.748 -15.444 1.00 0.00 O ATOM 287 CB ALA A 158 28.940 -6.827 -15.915 1.00 0.00 C ATOM 0 H ALA A 158 27.875 -8.251 -17.571 1.00 0.00 H new ATOM 0 HA ALA A 158 30.544 -7.340 -17.253 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.594 -6.340 -15.192 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.523 -6.079 -16.589 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.130 -7.333 -15.389 1.00 0.00 H new ATOM 293 N HIS A 159 29.630 -9.906 -15.391 1.00 0.00 N ATOM 294 CA HIS A 159 30.123 -10.943 -14.491 1.00 0.00 C ATOM 295 C HIS A 159 31.169 -11.804 -15.197 1.00 0.00 C ATOM 296 O HIS A 159 32.156 -12.200 -14.591 1.00 0.00 O ATOM 297 CB HIS A 159 28.944 -11.803 -14.019 1.00 0.00 C ATOM 298 CG HIS A 159 29.359 -12.899 -13.069 1.00 0.00 C ATOM 299 ND1 HIS A 159 29.935 -14.091 -13.498 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.291 -13.015 -11.704 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.172 -14.828 -12.395 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.801 -14.228 -11.263 1.00 0.00 N ATOM 0 H HIS A 159 28.661 -10.036 -15.682 1.00 0.00 H new ATOM 0 HA HIS A 159 30.596 -10.479 -13.626 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.208 -11.165 -13.530 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.455 -12.247 -14.886 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.889 -12.254 -11.051 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.620 -15.810 -12.425 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.874 -14.576 -10.307 1.00 0.00 H new ATOM 310 N LYS A 160 30.947 -12.097 -16.477 1.00 0.00 N ATOM 311 CA LYS A 160 31.861 -12.921 -17.249 1.00 0.00 C ATOM 312 C LYS A 160 33.226 -12.236 -17.366 1.00 0.00 C ATOM 313 O LYS A 160 34.257 -12.905 -17.359 1.00 0.00 O ATOM 314 CB LYS A 160 31.251 -13.171 -18.634 1.00 0.00 C ATOM 315 CG LYS A 160 31.972 -14.326 -19.334 1.00 0.00 C ATOM 316 CD LYS A 160 31.413 -14.480 -20.753 1.00 0.00 C ATOM 317 CE LYS A 160 31.911 -15.787 -21.380 1.00 0.00 C ATOM 318 NZ LYS A 160 31.171 -16.950 -20.854 1.00 0.00 N ATOM 0 H LYS A 160 30.134 -11.771 -17.000 1.00 0.00 H new ATOM 0 HA LYS A 160 32.013 -13.876 -16.747 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.191 -13.403 -18.535 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.325 -12.268 -19.239 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.044 -14.133 -19.371 1.00 0.00 H new ATOM 0 HG3 LYS A 160 31.834 -15.250 -18.773 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.323 -14.474 -20.725 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.721 -13.633 -21.367 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.797 -15.740 -22.463 1.00 0.00 H new ATOM 0 HE3 LYS A 160 32.975 -15.908 -21.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.231 -17.735 -21.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 31.586 -17.244 -19.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.174 -16.691 -20.711 1.00 0.00 H new ATOM 332 N ARG A 161 33.226 -10.902 -17.480 1.00 0.00 N ATOM 333 CA ARG A 161 34.454 -10.135 -17.629 1.00 0.00 C ATOM 334 C ARG A 161 35.083 -9.833 -16.263 1.00 0.00 C ATOM 335 O ARG A 161 36.278 -10.046 -16.073 1.00 0.00 O ATOM 336 CB ARG A 161 34.131 -8.834 -18.373 1.00 0.00 C ATOM 337 CG ARG A 161 35.416 -8.032 -18.607 1.00 0.00 C ATOM 338 CD ARG A 161 35.089 -6.758 -19.391 1.00 0.00 C ATOM 339 NE ARG A 161 36.294 -5.939 -19.593 1.00 0.00 N ATOM 340 CZ ARG A 161 36.819 -5.145 -18.640 1.00 0.00 C ATOM 341 NH1 ARG A 161 36.253 -5.077 -17.426 1.00 0.00 N ATOM 342 NH2 ARG A 161 37.913 -4.419 -18.906 1.00 0.00 N ATOM 0 H ARG A 161 32.379 -10.334 -17.471 1.00 0.00 H new ATOM 0 HA ARG A 161 35.178 -10.717 -18.199 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.654 -9.060 -19.327 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.422 -8.241 -17.795 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.876 -7.776 -17.653 1.00 0.00 H new ATOM 0 HG3 ARG A 161 36.138 -8.635 -19.158 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.658 -7.022 -20.357 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.337 -6.179 -18.854 1.00 0.00 H new ATOM 0 HE ARG A 161 36.756 -5.974 -20.502 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.420 -5.629 -17.220 1.00 0.00 H new ATOM 0 HH12 ARG A 161 36.656 -4.474 -16.709 1.00 0.00 H new ATOM 0 HH21 ARG A 161 38.346 -4.468 -19.828 1.00 0.00 H new ATOM 0 HH22 ARG A 161 38.313 -3.817 -18.186 1.00 0.00 H new ATOM 356 N LEU A 162 34.280 -9.318 -15.326 1.00 0.00 N ATOM 357 CA LEU A 162 34.770 -8.913 -14.014 1.00 0.00 C ATOM 358 C LEU A 162 34.773 -10.094 -13.042 1.00 0.00 C ATOM 359 O LEU A 162 35.824 -10.462 -12.519 1.00 0.00 O ATOM 360 CB LEU A 162 33.889 -7.775 -13.467 1.00 0.00 C ATOM 361 CG LEU A 162 33.914 -6.563 -14.411 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.829 -5.573 -13.983 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.282 -5.875 -14.346 1.00 0.00 C ATOM 0 H LEU A 162 33.279 -9.173 -15.459 1.00 0.00 H new ATOM 0 HA LEU A 162 35.796 -8.561 -14.117 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.865 -8.128 -13.348 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.241 -7.479 -12.479 1.00 0.00 H new ATOM 0 HG LEU A 162 33.732 -6.898 -15.432 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.841 -4.710 -14.649 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.854 -6.057 -14.034 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.018 -5.245 -12.961 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.290 -5.017 -15.018 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.472 -5.539 -13.327 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.058 -6.579 -14.647 1.00 0.00 H new ATOM 375 N GLY A 163 33.593 -10.672 -12.791 1.00 0.00 N ATOM 376 CA GLY A 163 33.438 -11.772 -11.846 1.00 0.00 C ATOM 377 C GLY A 163 32.348 -11.419 -10.842 1.00 0.00 C ATOM 378 O GLY A 163 31.340 -10.817 -11.209 1.00 0.00 O ATOM 0 H GLY A 163 32.722 -10.387 -13.239 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.178 -12.689 -12.376 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.379 -11.958 -11.329 1.00 0.00 H new ATOM 382 N ASN A 164 32.551 -11.780 -9.567 1.00 0.00 N ATOM 383 CA ASN A 164 31.582 -11.482 -8.513 1.00 0.00 C ATOM 384 C ASN A 164 31.787 -10.054 -8.000 1.00 0.00 C ATOM 385 O ASN A 164 31.579 -9.782 -6.819 1.00 0.00 O ATOM 386 CB ASN A 164 31.745 -12.485 -7.365 1.00 0.00 C ATOM 387 CG ASN A 164 31.645 -13.921 -7.866 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.548 -14.450 -8.018 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.791 -14.553 -8.121 1.00 0.00 N ATOM 0 H ASN A 164 33.380 -12.279 -9.245 1.00 0.00 H new ATOM 0 HA ASN A 164 30.574 -11.565 -8.919 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.710 -12.333 -6.881 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.978 -12.306 -6.611 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.779 -15.516 -8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.680 -14.073 -7.980 1.00 0.00 H new ATOM 396 N ARG A 165 32.198 -9.142 -8.889 1.00 0.00 N ATOM 397 CA ARG A 165 32.440 -7.759 -8.523 1.00 0.00 C ATOM 398 C ARG A 165 31.138 -6.972 -8.632 1.00 0.00 C ATOM 399 O ARG A 165 31.017 -6.067 -9.457 1.00 0.00 O ATOM 400 CB ARG A 165 33.521 -7.179 -9.442 1.00 0.00 C ATOM 401 CG ARG A 165 34.895 -7.720 -9.027 1.00 0.00 C ATOM 402 CD ARG A 165 35.859 -7.656 -10.214 1.00 0.00 C ATOM 403 NE ARG A 165 37.245 -7.892 -9.784 1.00 0.00 N ATOM 404 CZ ARG A 165 38.049 -6.926 -9.296 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.613 -5.663 -9.188 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.296 -7.232 -8.914 1.00 0.00 N ATOM 0 H ARG A 165 32.369 -9.349 -9.873 1.00 0.00 H new ATOM 0 HA ARG A 165 32.791 -7.693 -7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.312 -7.445 -10.478 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.515 -6.091 -9.385 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.289 -7.137 -8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.801 -8.749 -8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.574 -8.400 -10.958 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.785 -6.680 -10.694 1.00 0.00 H new ATOM 0 HE ARG A 165 37.619 -8.838 -9.859 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.664 -5.425 -9.476 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.230 -4.940 -8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.633 -8.192 -8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.909 -6.505 -8.544 1.00 0.00 H new ATOM 420 N TRP A 166 30.160 -7.317 -7.787 1.00 0.00 N ATOM 421 CA TRP A 166 28.877 -6.628 -7.780 1.00 0.00 C ATOM 422 C TRP A 166 29.089 -5.172 -7.381 1.00 0.00 C ATOM 423 O TRP A 166 28.273 -4.327 -7.698 1.00 0.00 O ATOM 424 CB TRP A 166 27.902 -7.311 -6.820 1.00 0.00 C ATOM 425 CG TRP A 166 28.142 -8.768 -6.616 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.757 -9.301 -5.558 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.797 -9.895 -7.476 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.840 -10.667 -5.670 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.255 -11.095 -6.846 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.149 -10.036 -8.724 1.00 0.00 C ATOM 431 CZ2 TRP A 166 28.080 -12.356 -7.418 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.966 -11.311 -9.305 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.432 -12.466 -8.652 1.00 0.00 C ATOM 0 H TRP A 166 30.238 -8.069 -7.102 1.00 0.00 H new ATOM 0 HA TRP A 166 28.445 -6.668 -8.780 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.955 -6.810 -5.854 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.888 -7.173 -7.196 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.139 -8.732 -4.723 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.274 -11.281 -4.980 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.789 -9.158 -9.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.442 -13.239 -6.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.465 -11.399 -10.257 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.289 -13.437 -9.103 1.00 0.00 H new ATOM 444 N ALA A 167 30.199 -4.879 -6.691 1.00 0.00 N ATOM 445 CA ALA A 167 30.524 -3.518 -6.301 1.00 0.00 C ATOM 446 C ALA A 167 30.656 -2.634 -7.546 1.00 0.00 C ATOM 447 O ALA A 167 30.519 -1.416 -7.451 1.00 0.00 O ATOM 448 CB ALA A 167 31.827 -3.520 -5.500 1.00 0.00 C ATOM 0 H ALA A 167 30.883 -5.575 -6.395 1.00 0.00 H new ATOM 0 HA ALA A 167 29.726 -3.114 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.075 -2.500 -5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.705 -4.136 -4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.631 -3.925 -6.114 1.00 0.00 H new ATOM 454 N GLU A 168 30.916 -3.255 -8.711 1.00 0.00 N ATOM 455 CA GLU A 168 31.044 -2.541 -9.972 1.00 0.00 C ATOM 456 C GLU A 168 29.726 -2.628 -10.748 1.00 0.00 C ATOM 457 O GLU A 168 29.204 -1.612 -11.195 1.00 0.00 O ATOM 458 CB GLU A 168 32.196 -3.147 -10.782 1.00 0.00 C ATOM 459 CG GLU A 168 33.520 -2.931 -10.040 1.00 0.00 C ATOM 460 CD GLU A 168 34.668 -3.641 -10.747 1.00 0.00 C ATOM 461 OE1 GLU A 168 34.777 -3.461 -11.979 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.416 -4.351 -10.040 1.00 0.00 O ATOM 0 H GLU A 168 31.041 -4.264 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 168 31.264 -1.490 -9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.024 -4.212 -10.936 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.242 -2.686 -11.769 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.734 -1.864 -9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.433 -3.302 -9.019 1.00 0.00 H new ATOM 469 N ILE A 169 29.188 -3.847 -10.905 1.00 0.00 N ATOM 470 CA ILE A 169 27.931 -4.057 -11.631 1.00 0.00 C ATOM 471 C ILE A 169 26.816 -3.208 -11.005 1.00 0.00 C ATOM 472 O ILE A 169 26.019 -2.598 -11.718 1.00 0.00 O ATOM 473 CB ILE A 169 27.559 -5.553 -11.602 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.715 -6.387 -12.185 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.286 -5.783 -12.430 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.360 -7.876 -12.168 1.00 0.00 C ATOM 0 H ILE A 169 29.606 -4.702 -10.538 1.00 0.00 H new ATOM 0 HA ILE A 169 28.056 -3.748 -12.669 1.00 0.00 H new ATOM 0 HB ILE A 169 27.380 -5.860 -10.572 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.923 -6.068 -13.206 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.623 -6.216 -11.606 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.024 -6.841 -12.409 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.468 -5.198 -12.010 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.461 -5.473 -13.460 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.187 -8.452 -12.583 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.175 -8.194 -11.142 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.465 -8.043 -12.767 1.00 0.00 H new ATOM 488 N ALA A 170 26.768 -3.176 -9.670 1.00 0.00 N ATOM 489 CA ALA A 170 25.762 -2.424 -8.932 1.00 0.00 C ATOM 490 C ALA A 170 25.809 -0.933 -9.301 1.00 0.00 C ATOM 491 O ALA A 170 24.799 -0.247 -9.199 1.00 0.00 O ATOM 492 CB ALA A 170 25.989 -2.625 -7.427 1.00 0.00 C ATOM 0 H ALA A 170 27.429 -3.674 -9.074 1.00 0.00 H new ATOM 0 HA ALA A 170 24.771 -2.792 -9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.239 -2.065 -6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.906 -3.684 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.983 -2.269 -7.158 1.00 0.00 H new ATOM 498 N LYS A 171 26.976 -0.429 -9.735 1.00 0.00 N ATOM 499 CA LYS A 171 27.100 0.972 -10.134 1.00 0.00 C ATOM 500 C LYS A 171 26.390 1.182 -11.471 1.00 0.00 C ATOM 501 O LYS A 171 25.769 2.221 -11.686 1.00 0.00 O ATOM 502 CB LYS A 171 28.578 1.371 -10.244 1.00 0.00 C ATOM 503 CG LYS A 171 29.298 1.137 -8.911 1.00 0.00 C ATOM 504 CD LYS A 171 28.820 2.153 -7.866 1.00 0.00 C ATOM 505 CE LYS A 171 29.743 2.119 -6.643 1.00 0.00 C ATOM 506 NZ LYS A 171 29.724 0.795 -5.995 1.00 0.00 N ATOM 0 H LYS A 171 27.837 -0.970 -9.816 1.00 0.00 H new ATOM 0 HA LYS A 171 26.635 1.603 -9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.060 0.791 -11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.657 2.420 -10.528 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.106 0.124 -8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.375 1.227 -9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 171 28.811 3.154 -8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 171 27.797 1.925 -7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 171 30.761 2.363 -6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 171 29.432 2.881 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 30.204 0.852 -5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 28.739 0.492 -5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 30.215 0.106 -6.599 1.00 0.00 H new ATOM 520 N LEU A 172 26.481 0.189 -12.368 1.00 0.00 N ATOM 521 CA LEU A 172 25.833 0.261 -13.671 1.00 0.00 C ATOM 522 C LEU A 172 24.316 0.206 -13.486 1.00 0.00 C ATOM 523 O LEU A 172 23.576 0.836 -14.239 1.00 0.00 O ATOM 524 CB LEU A 172 26.308 -0.900 -14.559 1.00 0.00 C ATOM 525 CG LEU A 172 27.843 -0.922 -14.660 1.00 0.00 C ATOM 526 CD1 LEU A 172 28.273 -2.095 -15.543 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.353 0.387 -15.273 1.00 0.00 C ATOM 0 H LEU A 172 27.001 -0.674 -12.207 1.00 0.00 H new ATOM 0 HA LEU A 172 26.099 1.199 -14.159 1.00 0.00 H new ATOM 0 HB2 LEU A 172 25.953 -1.845 -14.149 1.00 0.00 H new ATOM 0 HB3 LEU A 172 25.875 -0.802 -15.555 1.00 0.00 H new ATOM 0 HG LEU A 172 28.264 -1.033 -13.661 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.360 -2.115 -15.618 1.00 0.00 H new ATOM 0 HD12 LEU A 172 27.922 -3.029 -15.104 1.00 0.00 H new ATOM 0 HD13 LEU A 172 27.843 -1.978 -16.538 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.441 0.358 -15.339 1.00 0.00 H new ATOM 0 HD22 LEU A 172 27.932 0.510 -16.271 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.049 1.225 -14.646 1.00 0.00 H new ATOM 539 N LEU A 173 23.864 -0.551 -12.473 1.00 0.00 N ATOM 540 CA LEU A 173 22.446 -0.685 -12.156 1.00 0.00 C ATOM 541 C LEU A 173 22.212 -0.229 -10.710 1.00 0.00 C ATOM 542 O LEU A 173 22.130 -1.064 -9.816 1.00 0.00 O ATOM 543 CB LEU A 173 22.028 -2.155 -12.328 1.00 0.00 C ATOM 544 CG LEU A 173 22.182 -2.603 -13.792 1.00 0.00 C ATOM 545 CD1 LEU A 173 21.992 -4.120 -13.877 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.132 -1.913 -14.671 1.00 0.00 C ATOM 0 H LEU A 173 24.476 -1.084 -11.855 1.00 0.00 H new ATOM 0 HA LEU A 173 21.848 -0.066 -12.826 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.638 -2.788 -11.684 1.00 0.00 H new ATOM 0 HB3 LEU A 173 20.993 -2.282 -12.012 1.00 0.00 H new ATOM 0 HG LEU A 173 23.176 -2.330 -14.145 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.100 -4.443 -14.912 1.00 0.00 H new ATOM 0 HD12 LEU A 173 22.743 -4.616 -13.262 1.00 0.00 H new ATOM 0 HD13 LEU A 173 20.997 -4.383 -13.517 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.252 -2.239 -15.704 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.134 -2.177 -14.321 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.263 -0.832 -14.614 1.00 0.00 H new ATOM 558 N PRO A 174 22.109 1.099 -10.471 1.00 0.00 N ATOM 559 CA PRO A 174 21.930 1.649 -9.135 1.00 0.00 C ATOM 560 C PRO A 174 20.715 1.042 -8.429 1.00 0.00 C ATOM 561 O PRO A 174 20.766 0.779 -7.229 1.00 0.00 O ATOM 562 CB PRO A 174 21.769 3.161 -9.323 1.00 0.00 C ATOM 563 CG PRO A 174 21.999 3.455 -10.810 1.00 0.00 C ATOM 564 CD PRO A 174 22.175 2.107 -11.509 1.00 0.00 C ATOM 0 HA PRO A 174 22.783 1.415 -8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.774 3.484 -9.015 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.485 3.705 -8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.154 4.000 -11.231 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.882 4.079 -10.948 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.394 1.950 -12.253 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.129 2.063 -12.034 1.00 0.00 H new ATOM 572 N GLY A 175 19.623 0.822 -9.173 1.00 0.00 N ATOM 573 CA GLY A 175 18.405 0.250 -8.612 1.00 0.00 C ATOM 574 C GLY A 175 18.661 -1.159 -8.066 1.00 0.00 C ATOM 575 O GLY A 175 17.921 -1.630 -7.204 1.00 0.00 O ATOM 0 H GLY A 175 19.564 1.035 -10.169 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.032 0.891 -7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.630 0.212 -9.378 1.00 0.00 H new ATOM 579 N ARG A 176 19.707 -1.827 -8.573 1.00 0.00 N ATOM 580 CA ARG A 176 20.056 -3.174 -8.153 1.00 0.00 C ATOM 581 C ARG A 176 21.265 -3.115 -7.216 1.00 0.00 C ATOM 582 O ARG A 176 22.387 -2.884 -7.659 1.00 0.00 O ATOM 583 CB ARG A 176 20.373 -4.020 -9.390 1.00 0.00 C ATOM 584 CG ARG A 176 19.220 -3.953 -10.405 1.00 0.00 C ATOM 585 CD ARG A 176 17.945 -4.548 -9.800 1.00 0.00 C ATOM 586 NE ARG A 176 17.019 -4.973 -10.860 1.00 0.00 N ATOM 587 CZ ARG A 176 15.946 -5.746 -10.634 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.627 -6.110 -9.384 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.192 -6.156 -11.661 1.00 0.00 N ATOM 0 H ARG A 176 20.328 -1.442 -9.284 1.00 0.00 H new ATOM 0 HA ARG A 176 19.222 -3.629 -7.619 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.293 -3.664 -9.854 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.544 -5.055 -9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.043 -2.918 -10.697 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.490 -4.498 -11.309 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.199 -5.399 -9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.461 -3.810 -9.161 1.00 0.00 H new ATOM 0 HE ARG A 176 17.202 -4.665 -11.815 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.201 -5.799 -8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.810 -6.698 -9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.434 -5.881 -12.613 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.376 -6.744 -11.492 1.00 0.00 H new ATOM 603 N THR A 177 21.033 -3.323 -5.917 1.00 0.00 N ATOM 604 CA THR A 177 22.098 -3.272 -4.926 1.00 0.00 C ATOM 605 C THR A 177 23.015 -4.490 -5.064 1.00 0.00 C ATOM 606 O THR A 177 22.637 -5.499 -5.661 1.00 0.00 O ATOM 607 CB THR A 177 21.485 -3.223 -3.521 1.00 0.00 C ATOM 608 OG1 THR A 177 20.702 -4.379 -3.306 1.00 0.00 O ATOM 609 CG2 THR A 177 20.606 -1.976 -3.379 1.00 0.00 C ATOM 0 H THR A 177 20.111 -3.529 -5.531 1.00 0.00 H new ATOM 0 HA THR A 177 22.696 -2.375 -5.089 1.00 0.00 H new ATOM 0 HB THR A 177 22.286 -3.183 -2.783 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.312 -4.348 -2.407 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.174 -1.948 -2.379 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.212 -1.084 -3.538 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.806 -2.008 -4.119 1.00 0.00 H new ATOM 617 N ASP A 178 24.224 -4.389 -4.494 1.00 0.00 N ATOM 618 CA ASP A 178 25.192 -5.479 -4.510 1.00 0.00 C ATOM 619 C ASP A 178 24.550 -6.745 -3.936 1.00 0.00 C ATOM 620 O ASP A 178 24.724 -7.834 -4.479 1.00 0.00 O ATOM 621 CB ASP A 178 26.430 -5.061 -3.691 1.00 0.00 C ATOM 622 CG ASP A 178 26.959 -6.214 -2.842 1.00 0.00 C ATOM 623 OD1 ASP A 178 26.480 -6.340 -1.693 1.00 0.00 O ATOM 624 OD2 ASP A 178 27.825 -6.955 -3.352 1.00 0.00 O ATOM 0 H ASP A 178 24.551 -3.551 -4.013 1.00 0.00 H new ATOM 0 HA ASP A 178 25.505 -5.693 -5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.214 -4.716 -4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.173 -4.221 -3.045 1.00 0.00 H new ATOM 629 N ASN A 179 23.809 -6.594 -2.834 1.00 0.00 N ATOM 630 CA ASN A 179 23.148 -7.713 -2.181 1.00 0.00 C ATOM 631 C ASN A 179 22.087 -8.310 -3.102 1.00 0.00 C ATOM 632 O ASN A 179 21.996 -9.530 -3.225 1.00 0.00 O ATOM 633 CB ASN A 179 22.515 -7.235 -0.867 1.00 0.00 C ATOM 634 CG ASN A 179 23.431 -7.510 0.324 1.00 0.00 C ATOM 635 OD1 ASN A 179 23.002 -8.099 1.311 1.00 0.00 O ATOM 636 ND2 ASN A 179 24.694 -7.087 0.234 1.00 0.00 N ATOM 0 H ASN A 179 23.655 -5.695 -2.377 1.00 0.00 H new ATOM 0 HA ASN A 179 23.882 -8.488 -1.961 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.307 -6.167 -0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.560 -7.738 -0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 179 25.343 -7.250 1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 179 25.010 -6.601 -0.605 1.00 0.00 H new ATOM 643 N ALA A 180 21.283 -7.454 -3.746 1.00 0.00 N ATOM 644 CA ALA A 180 20.220 -7.910 -4.630 1.00 0.00 C ATOM 645 C ALA A 180 20.791 -8.751 -5.773 1.00 0.00 C ATOM 646 O ALA A 180 20.325 -9.864 -6.010 1.00 0.00 O ATOM 647 CB ALA A 180 19.458 -6.701 -5.178 1.00 0.00 C ATOM 0 H ALA A 180 21.355 -6.440 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 180 19.532 -8.538 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.662 -7.042 -5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 180 19.026 -6.138 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.143 -6.061 -5.734 1.00 0.00 H new ATOM 653 N ILE A 181 21.794 -8.218 -6.485 1.00 0.00 N ATOM 654 CA ILE A 181 22.388 -8.920 -7.619 1.00 0.00 C ATOM 655 C ILE A 181 23.072 -10.200 -7.142 1.00 0.00 C ATOM 656 O ILE A 181 22.839 -11.270 -7.697 1.00 0.00 O ATOM 657 CB ILE A 181 23.402 -8.017 -8.342 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.740 -6.702 -8.780 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.921 -8.754 -9.583 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.810 -5.632 -9.009 1.00 0.00 C ATOM 0 H ILE A 181 22.206 -7.305 -6.292 1.00 0.00 H new ATOM 0 HA ILE A 181 21.595 -9.180 -8.320 1.00 0.00 H new ATOM 0 HB ILE A 181 24.222 -7.787 -7.661 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.169 -6.859 -9.695 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.036 -6.368 -8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.641 -8.124 -10.105 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.404 -9.683 -9.279 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.087 -8.979 -10.248 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.334 -4.702 -9.319 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.362 -5.466 -8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.497 -5.965 -9.787 1.00 0.00 H new ATOM 672 N LYS A 182 23.922 -10.081 -6.115 1.00 0.00 N ATOM 673 CA LYS A 182 24.659 -11.214 -5.572 1.00 0.00 C ATOM 674 C LYS A 182 23.702 -12.355 -5.221 1.00 0.00 C ATOM 675 O LYS A 182 23.904 -13.490 -5.653 1.00 0.00 O ATOM 676 CB LYS A 182 25.433 -10.741 -4.336 1.00 0.00 C ATOM 677 CG LYS A 182 26.191 -11.909 -3.696 1.00 0.00 C ATOM 678 CD LYS A 182 27.240 -11.385 -2.700 1.00 0.00 C ATOM 679 CE LYS A 182 26.590 -10.468 -1.652 1.00 0.00 C ATOM 680 NZ LYS A 182 26.556 -9.064 -2.109 1.00 0.00 N ATOM 0 H LYS A 182 24.114 -9.197 -5.643 1.00 0.00 H new ATOM 0 HA LYS A 182 25.360 -11.595 -6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 182 26.134 -9.956 -4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.743 -10.307 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.491 -12.568 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.679 -12.502 -4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.727 -12.224 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 182 28.016 -10.839 -3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.575 -10.810 -1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 182 27.144 -10.534 -0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.472 -8.433 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.432 -8.845 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 25.740 -8.923 -2.738 1.00 0.00 H new ATOM 694 N ASN A 183 22.663 -12.051 -4.437 1.00 0.00 N ATOM 695 CA ASN A 183 21.690 -13.047 -4.020 1.00 0.00 C ATOM 696 C ASN A 183 20.993 -13.652 -5.237 1.00 0.00 C ATOM 697 O ASN A 183 20.969 -14.870 -5.392 1.00 0.00 O ATOM 698 CB ASN A 183 20.670 -12.395 -3.082 1.00 0.00 C ATOM 699 CG ASN A 183 19.600 -13.396 -2.662 1.00 0.00 C ATOM 700 OD1 ASN A 183 19.780 -14.129 -1.694 1.00 0.00 O ATOM 701 ND2 ASN A 183 18.484 -13.426 -3.391 1.00 0.00 N ATOM 0 H ASN A 183 22.480 -11.113 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 183 22.200 -13.851 -3.490 1.00 0.00 H new ATOM 0 HB2 ASN A 183 21.178 -12.007 -2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 183 20.203 -11.545 -3.580 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.736 -14.077 -3.152 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.378 -12.798 -4.188 1.00 0.00 H new ATOM 708 N HIS A 184 20.423 -12.794 -6.095 1.00 0.00 N ATOM 709 CA HIS A 184 19.698 -13.235 -7.282 1.00 0.00 C ATOM 710 C HIS A 184 20.543 -14.202 -8.111 1.00 0.00 C ATOM 711 O HIS A 184 20.069 -15.277 -8.478 1.00 0.00 O ATOM 712 CB HIS A 184 19.316 -12.010 -8.119 1.00 0.00 C ATOM 713 CG HIS A 184 18.872 -12.374 -9.512 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.804 -13.228 -9.766 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.340 -12.018 -10.751 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.697 -13.327 -11.107 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.608 -12.612 -11.767 1.00 0.00 N ATOM 0 H HIS A 184 20.454 -11.781 -5.981 1.00 0.00 H new ATOM 0 HA HIS A 184 18.796 -13.763 -6.972 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.515 -11.467 -7.617 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.170 -11.335 -8.179 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.177 -11.355 -10.915 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.946 -13.928 -11.598 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.735 -12.523 -12.775 1.00 0.00 H new ATOM 725 N TRP A 185 21.784 -13.816 -8.414 1.00 0.00 N ATOM 726 CA TRP A 185 22.666 -14.632 -9.226 1.00 0.00 C ATOM 727 C TRP A 185 22.934 -15.971 -8.546 1.00 0.00 C ATOM 728 O TRP A 185 22.708 -17.021 -9.143 1.00 0.00 O ATOM 729 CB TRP A 185 23.977 -13.886 -9.472 1.00 0.00 C ATOM 730 CG TRP A 185 24.950 -14.628 -10.336 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.753 -15.627 -9.934 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.232 -14.459 -11.758 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.515 -16.096 -10.973 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.239 -15.404 -12.134 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.744 -13.611 -12.775 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.735 -15.494 -13.435 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.239 -13.702 -14.094 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.235 -14.640 -14.420 1.00 0.00 C ATOM 0 H TRP A 185 22.196 -12.936 -8.103 1.00 0.00 H new ATOM 0 HA TRP A 185 22.184 -14.828 -10.184 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.754 -12.925 -9.936 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.448 -13.674 -8.512 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.793 -16.010 -8.925 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.194 -16.854 -10.898 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.982 -12.883 -12.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.499 -16.218 -13.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.850 -13.046 -14.859 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.612 -14.700 -15.430 1.00 0.00 H new ATOM 749 N ASN A 186 23.424 -15.940 -7.300 1.00 0.00 N ATOM 750 CA ASN A 186 23.762 -17.160 -6.576 1.00 0.00 C ATOM 751 C ASN A 186 22.504 -17.799 -5.982 1.00 0.00 C ATOM 752 O ASN A 186 22.470 -18.126 -4.798 1.00 0.00 O ATOM 753 CB ASN A 186 24.790 -16.837 -5.485 1.00 0.00 C ATOM 754 CG ASN A 186 26.097 -16.342 -6.100 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.977 -17.138 -6.428 1.00 0.00 O ATOM 756 ND2 ASN A 186 26.225 -15.026 -6.261 1.00 0.00 N ATOM 0 H ASN A 186 23.593 -15.081 -6.777 1.00 0.00 H new ATOM 0 HA ASN A 186 24.200 -17.881 -7.266 1.00 0.00 H new ATOM 0 HB2 ASN A 186 24.388 -16.078 -4.814 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.980 -17.726 -4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 186 27.077 -14.643 -6.670 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.471 -14.402 -5.975 1.00 0.00 H new ATOM 763 N SER A 187 21.479 -17.982 -6.822 1.00 0.00 N ATOM 764 CA SER A 187 20.221 -18.602 -6.430 1.00 0.00 C ATOM 765 C SER A 187 19.448 -18.967 -7.691 1.00 0.00 C ATOM 766 O SER A 187 19.024 -20.110 -7.858 1.00 0.00 O ATOM 767 CB SER A 187 19.392 -17.640 -5.567 1.00 0.00 C ATOM 768 OG SER A 187 19.898 -17.607 -4.251 1.00 0.00 O ATOM 0 H SER A 187 21.506 -17.699 -7.802 1.00 0.00 H new ATOM 0 HA SER A 187 20.423 -19.497 -5.841 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.416 -16.640 -5.999 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.349 -17.957 -5.556 1.00 0.00 H new ATOM 0 HG SER A 187 20.761 -18.070 -4.221 1.00 0.00 H new ATOM 774 N THR A 188 19.268 -17.979 -8.575 1.00 0.00 N ATOM 775 CA THR A 188 18.525 -18.157 -9.809 1.00 0.00 C ATOM 776 C THR A 188 19.474 -18.499 -10.958 1.00 0.00 C ATOM 777 O THR A 188 19.293 -19.516 -11.625 1.00 0.00 O ATOM 778 CB THR A 188 17.749 -16.867 -10.118 1.00 0.00 C ATOM 779 OG1 THR A 188 17.193 -16.347 -8.927 1.00 0.00 O ATOM 780 CG2 THR A 188 16.627 -17.164 -11.114 1.00 0.00 C ATOM 0 H THR A 188 19.637 -17.037 -8.447 1.00 0.00 H new ATOM 0 HA THR A 188 17.823 -18.983 -9.695 1.00 0.00 H new ATOM 0 HB THR A 188 18.432 -16.136 -10.549 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.260 -15.369 -8.934 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.080 -16.246 -11.330 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.054 -17.557 -12.036 1.00 0.00 H new ATOM 0 HG23 THR A 188 15.946 -17.900 -10.686 1.00 0.00 H new ATOM 788 N MET A 189 20.478 -17.639 -11.195 1.00 0.00 N ATOM 789 CA MET A 189 21.411 -17.820 -12.301 1.00 0.00 C ATOM 790 C MET A 189 22.767 -18.290 -11.787 1.00 0.00 C ATOM 791 O MET A 189 23.760 -17.568 -11.893 1.00 0.00 O ATOM 792 CB MET A 189 21.556 -16.498 -13.064 1.00 0.00 C ATOM 793 CG MET A 189 20.182 -16.005 -13.528 1.00 0.00 C ATOM 794 SD MET A 189 20.253 -14.798 -14.877 1.00 0.00 S ATOM 795 CE MET A 189 21.428 -13.624 -14.159 1.00 0.00 C ATOM 0 H MET A 189 20.658 -16.810 -10.628 1.00 0.00 H new ATOM 0 HA MET A 189 21.023 -18.584 -12.975 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.023 -15.749 -12.424 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.211 -16.635 -13.924 1.00 0.00 H new ATOM 0 HG2 MET A 189 19.589 -16.861 -13.850 1.00 0.00 H new ATOM 0 HG3 MET A 189 19.662 -15.558 -12.681 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.193 -12.617 -14.504 1.00 0.00 H new ATOM 0 HE2 MET A 189 21.360 -13.660 -13.072 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.440 -13.887 -14.468 1.00 0.00 H new ATOM 805 N ARG A 190 22.816 -19.509 -11.240 1.00 0.00 N ATOM 806 CA ARG A 190 24.060 -20.082 -10.746 1.00 0.00 C ATOM 807 C ARG A 190 24.858 -20.643 -11.928 1.00 0.00 C ATOM 808 O ARG A 190 25.140 -21.841 -11.987 1.00 0.00 O ATOM 809 CB ARG A 190 23.747 -21.167 -9.708 1.00 0.00 C ATOM 810 CG ARG A 190 23.479 -20.510 -8.352 1.00 0.00 C ATOM 811 CD ARG A 190 22.954 -21.552 -7.361 1.00 0.00 C ATOM 812 NE ARG A 190 21.500 -21.714 -7.490 1.00 0.00 N ATOM 813 CZ ARG A 190 20.795 -22.621 -6.791 1.00 0.00 C ATOM 814 NH1 ARG A 190 21.424 -23.517 -6.018 1.00 0.00 N ATOM 815 NH2 ARG A 190 19.460 -22.625 -6.870 1.00 0.00 N ATOM 0 H ARG A 190 22.003 -20.115 -11.131 1.00 0.00 H new ATOM 0 HA ARG A 190 24.665 -19.317 -10.258 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.879 -21.747 -10.022 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.583 -21.862 -9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 190 24.395 -20.061 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 190 22.753 -19.705 -8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 190 23.447 -22.508 -7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 190 23.201 -21.249 -6.344 1.00 0.00 H new ATOM 0 HE ARG A 190 21.000 -21.109 -8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 190 22.442 -23.513 -5.958 1.00 0.00 H new ATOM 0 HH12 ARG A 190 20.885 -24.203 -5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 190 18.982 -21.942 -7.458 1.00 0.00 H new ATOM 0 HH22 ARG A 190 18.920 -23.311 -6.342 1.00 0.00 H new ATOM 829 N ARG A 191 25.215 -19.758 -12.870 1.00 0.00 N ATOM 830 CA ARG A 191 25.980 -20.120 -14.055 1.00 0.00 C ATOM 831 C ARG A 191 27.292 -19.342 -14.041 1.00 0.00 C ATOM 832 O ARG A 191 27.511 -18.469 -14.883 1.00 0.00 O ATOM 833 CB ARG A 191 25.165 -19.789 -15.319 1.00 0.00 C ATOM 834 CG ARG A 191 23.841 -20.575 -15.351 1.00 0.00 C ATOM 835 CD ARG A 191 24.094 -22.052 -15.686 1.00 0.00 C ATOM 836 NE ARG A 191 24.433 -22.819 -14.482 1.00 0.00 N ATOM 837 CZ ARG A 191 24.676 -24.139 -14.491 1.00 0.00 C ATOM 838 NH1 ARG A 191 24.573 -24.838 -15.629 1.00 0.00 N ATOM 839 NH2 ARG A 191 25.022 -24.754 -13.354 1.00 0.00 N ATOM 0 H ARG A 191 24.976 -18.767 -12.824 1.00 0.00 H new ATOM 0 HA ARG A 191 26.194 -21.189 -14.057 1.00 0.00 H new ATOM 0 HB2 ARG A 191 24.957 -18.720 -15.351 1.00 0.00 H new ATOM 0 HB3 ARG A 191 25.753 -20.026 -16.206 1.00 0.00 H new ATOM 0 HG2 ARG A 191 23.342 -20.496 -14.385 1.00 0.00 H new ATOM 0 HG3 ARG A 191 23.171 -20.139 -16.092 1.00 0.00 H new ATOM 0 HD2 ARG A 191 23.207 -22.478 -16.154 1.00 0.00 H new ATOM 0 HD3 ARG A 191 24.905 -22.130 -16.410 1.00 0.00 H new ATOM 0 HE ARG A 191 24.487 -22.323 -13.592 1.00 0.00 H new ATOM 0 HH11 ARG A 191 24.309 -24.367 -16.494 1.00 0.00 H new ATOM 0 HH12 ARG A 191 24.759 -25.841 -15.630 1.00 0.00 H new ATOM 0 HH21 ARG A 191 25.099 -24.220 -12.488 1.00 0.00 H new ATOM 0 HH22 ARG A 191 25.208 -25.757 -13.353 1.00 0.00 H new ATOM 853 N LYS A 192 28.161 -19.661 -13.072 1.00 0.00 N ATOM 854 CA LYS A 192 29.443 -18.988 -12.914 1.00 0.00 C ATOM 855 C LYS A 192 30.405 -19.435 -14.016 1.00 0.00 C ATOM 856 O LYS A 192 31.357 -20.169 -13.759 1.00 0.00 O ATOM 857 CB LYS A 192 30.007 -19.299 -11.522 1.00 0.00 C ATOM 858 CG LYS A 192 29.047 -18.769 -10.450 1.00 0.00 C ATOM 859 CD LYS A 192 29.630 -19.018 -9.052 1.00 0.00 C ATOM 860 CE LYS A 192 30.204 -17.716 -8.484 1.00 0.00 C ATOM 861 NZ LYS A 192 29.132 -16.755 -8.157 1.00 0.00 N ATOM 0 H LYS A 192 27.989 -20.392 -12.381 1.00 0.00 H new ATOM 0 HA LYS A 192 29.312 -17.910 -13.003 1.00 0.00 H new ATOM 0 HB2 LYS A 192 30.142 -20.374 -11.405 1.00 0.00 H new ATOM 0 HB3 LYS A 192 30.989 -18.840 -11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 192 28.878 -17.702 -10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 192 28.079 -19.261 -10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 192 28.855 -19.403 -8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 192 30.411 -19.777 -9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 192 30.786 -17.933 -7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 192 30.886 -17.271 -9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 192 29.551 -15.890 -7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 192 28.603 -16.518 -9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 192 28.486 -17.179 -7.461 1.00 0.00 H new ATOM 875 N VAL A 193 30.140 -18.979 -15.243 1.00 0.00 N ATOM 876 CA VAL A 193 30.951 -19.311 -16.404 1.00 0.00 C ATOM 877 C VAL A 193 30.604 -18.357 -17.553 1.00 0.00 C ATOM 878 O VAL A 193 31.475 -17.975 -18.331 1.00 0.00 O ATOM 879 CB VAL A 193 30.719 -20.786 -16.799 1.00 0.00 C ATOM 880 CG1 VAL A 193 29.258 -21.015 -17.208 1.00 0.00 C ATOM 881 CG2 VAL A 193 31.638 -21.162 -17.966 1.00 0.00 C ATOM 0 H VAL A 193 29.352 -18.367 -15.454 1.00 0.00 H new ATOM 0 HA VAL A 193 32.009 -19.193 -16.170 1.00 0.00 H new ATOM 0 HB VAL A 193 30.945 -21.412 -15.936 1.00 0.00 H new ATOM 0 HG11 VAL A 193 29.117 -22.060 -17.482 1.00 0.00 H new ATOM 0 HG12 VAL A 193 28.603 -20.767 -16.373 1.00 0.00 H new ATOM 0 HG13 VAL A 193 29.015 -20.380 -18.060 1.00 0.00 H new ATOM 0 HG21 VAL A 193 31.470 -22.203 -18.240 1.00 0.00 H new ATOM 0 HG22 VAL A 193 31.421 -20.522 -18.821 1.00 0.00 H new ATOM 0 HG23 VAL A 193 32.678 -21.029 -17.668 1.00 0.00 H new HETATM 891 N NH2 A 194 29.329 -17.969 -17.659 1.00 0.00 N TER 894 NH2 A 194 CONECT 877 891 CONECT 891 877 892 893 CONECT 892 891 CONECT 893 891 END