USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 865 hydrogens (0 hets) HEADER TRANSCRIPTION REGULATION 18-JUL-94 1HKS TITLE SOLUTION STRUCTURE OF THE DNA-BINDING DOMAIN OF DROSOPHILA TITLE 2 HEAT SHOCK TRANSCRIPTION FACTOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEAT-SHOCK TRANSCRIPTION FACTOR; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; SOURCE 3 ORGANISM_COMMON: FRUIT FLY; SOURCE 4 ORGANISM_TAXID: 7227 KEYWDS TRANSCRIPTION REGULATION EXPDTA SOLUTION NMR AUTHOR G.W.VUISTER,S.-J.KIM,A.OROSZ,J.L.MARQUARDT,C.WU,A.BAX REVDAT 2 24-FEB-09 1HKS 1 VERSN REVDAT 1 30-SEP-94 1HKS 0 JRNL AUTH G.W.VUISTER,S.J.KIM,A.OROSZ,J.MARQUARDT,C.WU,A.BAX JRNL TITL SOLUTION STRUCTURE OF THE DNA-BINDING DOMAIN OF JRNL TITL 2 DROSOPHILA HEAT SHOCK TRANSCRIPTION FACTOR. JRNL REF NAT.STRUCT.BIOL. V. 1 605 1994 JRNL REFN ISSN 1072-8368 JRNL PMID 7634100 JRNL DOI 10.1038/NSB0994-605 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH G.W.VUISTER,S.-J.KIM,C.WU,A.BAX REMARK 1 TITL NMR EVIDENCE FOR SIMILARITIES BETWEEN THE REMARK 1 TITL 2 DNA-BINDING REGIONS OF DROSOPHILA MELANOGASTER REMARK 1 TITL 3 HEAT SHOCK FACTOR AND THE HELIX-TURN-HELIX AND REMARK 1 TITL 4 HNF-3(SLASH)FORKHEAD FAMILIES OF TRANSCRIPTION REMARK 1 TITL 5 FACTORS REMARK 1 REF BIOCHEMISTRY V. 33 10 1994 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HKS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 VAL A 46 108.25 -44.57 REMARK 500 ASP A 58 -128.42 -84.32 REMARK 500 ASP A 59 171.11 53.24 REMARK 500 THR A 62 31.72 -99.69 REMARK 500 ASN A 63 44.11 -87.09 REMARK 500 ARG A 64 -37.58 -170.26 REMARK 500 LYS A 70 -105.54 46.15 REMARK 500 ASP A 71 -90.67 -81.42 REMARK 500 SER A 74 -133.84 -171.13 REMARK 500 ALA A 81 -88.78 -82.54 REMARK 500 LYS A 85 34.85 -82.22 REMARK 500 GLU A 86 7.48 -157.67 REMARK 500 LEU A 87 -31.58 -146.26 REMARK 500 LEU A 90 26.22 -79.89 REMARK 500 ASN A 91 -77.39 -150.28 REMARK 500 LYS A 93 -60.68 74.10 REMARK 500 HIS A 94 -177.65 -52.07 REMARK 500 ASN A 95 -15.50 -144.54 REMARK 500 ALA A 98 -17.96 -45.62 REMARK 500 HIS A 110 82.39 -150.47 REMARK 500 SER A 114 94.20 48.01 REMARK 500 ILE A 115 92.23 -172.67 REMARK 500 LEU A 120 179.18 -50.55 REMARK 500 PHE A 122 98.06 -171.19 REMARK 500 ARG A 124 -12.16 -153.54 REMARK 500 GLU A 126 137.37 -39.57 REMARK 500 ILE A 127 83.21 -30.56 REMARK 500 PRO A 132 23.08 -64.24 REMARK 500 PHE A 133 30.99 -140.96 REMARK 500 PHE A 134 43.38 -150.37 REMARK 500 ARG A 136 -70.84 -85.40 REMARK 500 ASN A 137 -159.80 -58.35 REMARK 500 SER A 138 72.31 50.81 REMARK 500 PRO A 139 44.34 -71.90 REMARK 500 GLN A 144 -36.91 -160.08 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HKT RELATED DB: PDB DBREF 1HKS A 43 148 UNP P22813 HSF_DROME 43 148 SEQRES 1 A 106 GLY SER GLY VAL PRO ALA PHE LEU ALA LYS LEU TRP ARG SEQRES 2 A 106 LEU VAL ASP ASP ALA ASP THR ASN ARG LEU ILE CYS TRP SEQRES 3 A 106 THR LYS ASP GLY GLN SER PHE VAL ILE GLN ASN GLN ALA SEQRES 4 A 106 GLN PHE ALA LYS GLU LEU LEU PRO LEU ASN TYR LYS HIS SEQRES 5 A 106 ASN ASN MET ALA SER PHE ILE ARG GLN LEU ASN MET TYR SEQRES 6 A 106 GLY PHE HIS LYS ILE THR SER ILE ASP ASN GLY GLY LEU SEQRES 7 A 106 ARG PHE ASP ARG ASP GLU ILE GLU PHE SER HIS PRO PHE SEQRES 8 A 106 PHE LYS ARG ASN SER PRO PHE LEU LEU ASP GLN ILE LYS SEQRES 9 A 106 ARG LYS HELIX 1 H1 ALA A 48 VAL A 57 1 10 HELIX 2 H2 GLN A 80 PRO A 89 1DISTORTED HELIX 10 HELIX 3 H3 MET A 97 TYR A 107 1 11 SHEET 1 SB 4 ILE A 66 THR A 69 0 SHEET 2 SB 4 SER A 74 ILE A 77 -1 SHEET 3 SB 4 HIS A 110 ILE A 112 1 SHEET 4 SB 4 GLU A 126 SER A 130 -1 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 103 GLN : amide:sc= 0 K(o=0.24,f=-1.2!) USER MOD Set 1.2: A 107 TYR OH : rot -119:sc= 0.243 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -84:sc= 0.0837 USER MOD Single : A 63 ASN : amide:sc= -0.84 X(o=-0.84,f=-1.3) USER MOD Single : A 67 CYS SG : rot 76:sc= 0.0256 USER MOD Single : A 69 THR OG1 : rot 1:sc= 0.897 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 153:sc= 0.146! USER MOD Single : A 78 GLN : amide:sc= -1.85! C(o=-1.9!,f=-3.4!) USER MOD Single : A 79 ASN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.891 X(o=-0.89,f=-1.3!) USER MOD Single : A 82 GLN : amide:sc= -0.0311 K(o=-0.031,f=-1.9!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.298! C(o=-2.7!,f=-0.3!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.16) USER MOD Single : A 94 HIS : no HD1:sc= -6.72! C(o=-6.7!,f=-10!) USER MOD Single : A 95 ASN : amide:sc= -2.2 K(o=-2.2,f=-4.7!) USER MOD Single : A 96 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.2!) USER MOD Single : A 97 MET CE :methyl -146:sc= -0.0987 (180deg=-1.73) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -0.131 F(o=-2.2!,f=-0.13) USER MOD Single : A 106 MET CE :methyl 170:sc= -0.0963 (180deg=-0.281) USER MOD Single : A 110 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.033) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 146:sc= 0.0461 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.215 K(o=-0.21,f=-0.89) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 HIS : no HE2:sc= -4.39 K(o=-4.4,f=-7.1!) USER MOD Single : A 135 LYS NZ :NH3+ -145:sc= -3.84 (180deg=-7.1!) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.0796 F(o=-1.5,f=-0.08) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 144 GLN :FLIP amide:sc= -0.69 F(o=-2!,f=-0.69) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ -162:sc=-0.00174 (180deg=-0.501) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 43 17.711 1.403 -2.223 1.00 0.00 N ATOM 2 CA GLY A 43 18.928 0.591 -1.939 1.00 0.00 C ATOM 3 C GLY A 43 19.861 1.374 -1.014 1.00 0.00 C ATOM 4 O GLY A 43 19.581 2.496 -0.639 1.00 0.00 O ATOM 0 HA2 GLY A 43 18.647 -0.354 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.441 0.348 -2.869 1.00 0.00 H new ATOM 8 N SER A 44 20.967 0.792 -0.641 1.00 0.00 N ATOM 9 CA SER A 44 21.917 1.504 0.259 1.00 0.00 C ATOM 10 C SER A 44 21.187 1.930 1.535 1.00 0.00 C ATOM 11 O SER A 44 21.613 2.829 2.233 1.00 0.00 O ATOM 12 CB SER A 44 22.467 2.740 -0.453 1.00 0.00 C ATOM 13 OG SER A 44 22.837 2.391 -1.780 1.00 0.00 O ATOM 0 H SER A 44 21.254 -0.146 -0.921 1.00 0.00 H new ATOM 0 HA SER A 44 22.741 0.839 0.517 1.00 0.00 H new ATOM 0 HB2 SER A 44 21.716 3.530 -0.468 1.00 0.00 H new ATOM 0 HB3 SER A 44 23.330 3.131 0.087 1.00 0.00 H new ATOM 0 HG SER A 44 23.189 3.182 -2.240 1.00 0.00 H new ATOM 19 N GLY A 45 20.090 1.295 1.844 1.00 0.00 N ATOM 20 CA GLY A 45 19.336 1.666 3.074 1.00 0.00 C ATOM 21 C GLY A 45 17.898 1.154 2.966 1.00 0.00 C ATOM 22 O GLY A 45 17.369 0.566 3.889 1.00 0.00 O ATOM 0 H GLY A 45 19.683 0.535 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 45 19.820 1.239 3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.339 2.748 3.203 1.00 0.00 H new ATOM 26 N VAL A 46 17.264 1.376 1.845 1.00 0.00 N ATOM 27 CA VAL A 46 15.857 0.907 1.664 1.00 0.00 C ATOM 28 C VAL A 46 15.721 -0.542 2.190 1.00 0.00 C ATOM 29 O VAL A 46 16.230 -1.448 1.560 1.00 0.00 O ATOM 30 CB VAL A 46 15.525 0.917 0.171 1.00 0.00 C ATOM 31 CG1 VAL A 46 14.056 0.539 -0.029 1.00 0.00 C ATOM 32 CG2 VAL A 46 15.770 2.317 -0.396 1.00 0.00 C ATOM 0 H VAL A 46 17.662 1.864 1.043 1.00 0.00 H new ATOM 0 HA VAL A 46 15.180 1.562 2.212 1.00 0.00 H new ATOM 0 HB VAL A 46 16.160 0.197 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.820 0.546 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.878 -0.458 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.421 1.259 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.534 2.325 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 46 15.135 3.036 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 46 16.816 2.589 -0.255 1.00 0.00 H new ATOM 42 N PRO A 47 15.054 -0.753 3.318 1.00 0.00 N ATOM 43 CA PRO A 47 14.905 -2.120 3.856 1.00 0.00 C ATOM 44 C PRO A 47 14.144 -2.993 2.847 1.00 0.00 C ATOM 45 O PRO A 47 13.554 -2.500 1.906 1.00 0.00 O ATOM 46 CB PRO A 47 14.116 -1.954 5.177 1.00 0.00 C ATOM 47 CG PRO A 47 13.857 -0.433 5.377 1.00 0.00 C ATOM 48 CD PRO A 47 14.410 0.302 4.136 1.00 0.00 C ATOM 0 HA PRO A 47 15.862 -2.612 4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 47 13.174 -2.501 5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 47 14.682 -2.360 6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.791 -0.238 5.494 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.347 -0.077 6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.612 0.797 3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 47 15.126 1.073 4.421 1.00 0.00 H new ATOM 56 N ALA A 48 14.159 -4.284 3.036 1.00 0.00 N ATOM 57 CA ALA A 48 13.442 -5.183 2.088 1.00 0.00 C ATOM 58 C ALA A 48 11.930 -5.022 2.270 1.00 0.00 C ATOM 59 O ALA A 48 11.146 -5.737 1.678 1.00 0.00 O ATOM 60 CB ALA A 48 13.836 -6.635 2.366 1.00 0.00 C ATOM 0 H ALA A 48 14.636 -4.755 3.805 1.00 0.00 H new ATOM 0 HA ALA A 48 13.713 -4.920 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.312 -7.293 1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.912 -6.752 2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.565 -6.896 3.389 1.00 0.00 H new ATOM 66 N PHE A 49 11.513 -4.090 3.083 1.00 0.00 N ATOM 67 CA PHE A 49 10.049 -3.886 3.301 1.00 0.00 C ATOM 68 C PHE A 49 9.500 -2.940 2.229 1.00 0.00 C ATOM 69 O PHE A 49 8.746 -3.339 1.364 1.00 0.00 O ATOM 70 CB PHE A 49 9.819 -3.275 4.687 1.00 0.00 C ATOM 71 CG PHE A 49 8.360 -3.405 5.061 1.00 0.00 C ATOM 72 CD1 PHE A 49 7.404 -2.553 4.474 1.00 0.00 C ATOM 73 CD2 PHE A 49 7.956 -4.379 5.995 1.00 0.00 C ATOM 74 CE1 PHE A 49 6.045 -2.676 4.821 1.00 0.00 C ATOM 75 CE2 PHE A 49 6.596 -4.501 6.342 1.00 0.00 C ATOM 76 CZ PHE A 49 5.641 -3.648 5.754 1.00 0.00 C ATOM 0 H PHE A 49 12.121 -3.460 3.606 1.00 0.00 H new ATOM 0 HA PHE A 49 9.535 -4.845 3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.441 -3.780 5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.113 -2.225 4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.713 -1.806 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.689 -5.032 6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.312 -2.023 4.370 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.286 -5.248 7.058 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.598 -3.741 6.020 1.00 0.00 H new ATOM 86 N LEU A 50 9.871 -1.690 2.280 1.00 0.00 N ATOM 87 CA LEU A 50 9.366 -0.722 1.265 1.00 0.00 C ATOM 88 C LEU A 50 9.780 -1.187 -0.134 1.00 0.00 C ATOM 89 O LEU A 50 9.006 -1.136 -1.068 1.00 0.00 O ATOM 90 CB LEU A 50 9.960 0.664 1.535 1.00 0.00 C ATOM 91 CG LEU A 50 9.675 1.085 2.983 1.00 0.00 C ATOM 92 CD1 LEU A 50 10.496 2.333 3.317 1.00 0.00 C ATOM 93 CD2 LEU A 50 8.181 1.397 3.160 1.00 0.00 C ATOM 0 H LEU A 50 10.501 -1.297 2.979 1.00 0.00 H new ATOM 0 HA LEU A 50 8.279 -0.669 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.035 0.649 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.533 1.392 0.845 1.00 0.00 H new ATOM 0 HG LEU A 50 9.949 0.269 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.296 2.635 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.557 2.112 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.220 3.142 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.991 1.694 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.897 2.209 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.594 0.510 2.924 1.00 0.00 H new ATOM 105 N ALA A 51 10.994 -1.639 -0.286 1.00 0.00 N ATOM 106 CA ALA A 51 11.452 -2.105 -1.626 1.00 0.00 C ATOM 107 C ALA A 51 10.420 -3.073 -2.209 1.00 0.00 C ATOM 108 O ALA A 51 10.117 -3.037 -3.386 1.00 0.00 O ATOM 109 CB ALA A 51 12.800 -2.816 -1.487 1.00 0.00 C ATOM 0 H ALA A 51 11.688 -1.706 0.458 1.00 0.00 H new ATOM 0 HA ALA A 51 11.562 -1.248 -2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 51 13.134 -3.157 -2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.535 -2.125 -1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 51 12.692 -3.673 -0.822 1.00 0.00 H new ATOM 115 N LYS A 52 9.875 -3.938 -1.397 1.00 0.00 N ATOM 116 CA LYS A 52 8.864 -4.903 -1.909 1.00 0.00 C ATOM 117 C LYS A 52 7.640 -4.135 -2.414 1.00 0.00 C ATOM 118 O LYS A 52 7.085 -4.445 -3.447 1.00 0.00 O ATOM 119 CB LYS A 52 8.445 -5.857 -0.784 1.00 0.00 C ATOM 120 CG LYS A 52 9.535 -6.911 -0.573 1.00 0.00 C ATOM 121 CD LYS A 52 9.240 -7.704 0.701 1.00 0.00 C ATOM 122 CE LYS A 52 10.361 -8.717 0.945 1.00 0.00 C ATOM 123 NZ LYS A 52 9.917 -9.715 1.958 1.00 0.00 N ATOM 0 H LYS A 52 10.087 -4.017 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 52 9.295 -5.481 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.281 -5.299 0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.501 -6.340 -1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.577 -7.583 -1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.510 -6.430 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.156 -7.027 1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.284 -8.219 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.621 -9.220 0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.259 -8.205 1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.679 -10.404 2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.690 -9.228 2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.072 -10.211 1.610 1.00 0.00 H new ATOM 137 N LEU A 53 7.215 -3.131 -1.696 1.00 0.00 N ATOM 138 CA LEU A 53 6.030 -2.349 -2.146 1.00 0.00 C ATOM 139 C LEU A 53 6.321 -1.741 -3.521 1.00 0.00 C ATOM 140 O LEU A 53 5.423 -1.347 -4.238 1.00 0.00 O ATOM 141 CB LEU A 53 5.739 -1.227 -1.146 1.00 0.00 C ATOM 142 CG LEU A 53 5.705 -1.794 0.278 1.00 0.00 C ATOM 143 CD1 LEU A 53 5.488 -0.651 1.274 1.00 0.00 C ATOM 144 CD2 LEU A 53 4.561 -2.808 0.405 1.00 0.00 C ATOM 0 H LEU A 53 7.636 -2.820 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 53 5.164 -3.008 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.504 -0.454 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.785 -0.756 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 53 6.651 -2.292 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.463 -1.051 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.303 0.067 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.542 -0.154 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.541 -3.208 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.613 -2.315 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.716 -3.622 -0.304 1.00 0.00 H new ATOM 156 N TRP A 54 7.568 -1.666 -3.895 1.00 0.00 N ATOM 157 CA TRP A 54 7.913 -1.086 -5.224 1.00 0.00 C ATOM 158 C TRP A 54 7.607 -2.112 -6.319 1.00 0.00 C ATOM 159 O TRP A 54 6.894 -1.833 -7.262 1.00 0.00 O ATOM 160 CB TRP A 54 9.403 -0.730 -5.254 1.00 0.00 C ATOM 161 CG TRP A 54 9.680 0.177 -6.412 1.00 0.00 C ATOM 162 CD1 TRP A 54 9.732 1.528 -6.345 1.00 0.00 C ATOM 163 CD2 TRP A 54 9.944 -0.175 -7.801 1.00 0.00 C ATOM 164 NE1 TRP A 54 10.010 2.030 -7.604 1.00 0.00 N ATOM 165 CE2 TRP A 54 10.151 1.022 -8.537 1.00 0.00 C ATOM 166 CE3 TRP A 54 10.025 -1.408 -8.491 1.00 0.00 C ATOM 167 CZ2 TRP A 54 10.428 1.000 -9.911 1.00 0.00 C ATOM 168 CZ3 TRP A 54 10.303 -1.435 -9.874 1.00 0.00 C ATOM 169 CH2 TRP A 54 10.505 -0.234 -10.582 1.00 0.00 C ATOM 0 H TRP A 54 8.363 -1.981 -3.339 1.00 0.00 H new ATOM 0 HA TRP A 54 7.323 -0.185 -5.395 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.690 -0.244 -4.322 1.00 0.00 H new ATOM 0 HB3 TRP A 54 10.002 -1.637 -5.338 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.581 2.118 -5.453 1.00 0.00 H new ATOM 0 HE1 TRP A 54 10.100 3.023 -7.817 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.873 -2.334 -7.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.581 1.923 -10.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.361 -2.381 -10.392 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.719 -0.261 -11.640 1.00 0.00 H new ATOM 180 N ARG A 55 8.139 -3.298 -6.199 1.00 0.00 N ATOM 181 CA ARG A 55 7.875 -4.340 -7.232 1.00 0.00 C ATOM 182 C ARG A 55 6.458 -4.886 -7.051 1.00 0.00 C ATOM 183 O ARG A 55 5.711 -5.031 -7.999 1.00 0.00 O ATOM 184 CB ARG A 55 8.884 -5.481 -7.075 1.00 0.00 C ATOM 185 CG ARG A 55 10.267 -5.008 -7.528 1.00 0.00 C ATOM 186 CD ARG A 55 11.232 -6.194 -7.541 1.00 0.00 C ATOM 187 NE ARG A 55 12.594 -5.720 -7.916 1.00 0.00 N ATOM 188 CZ ARG A 55 13.631 -6.485 -7.707 1.00 0.00 C ATOM 189 NH1 ARG A 55 13.474 -7.664 -7.170 1.00 0.00 N ATOM 190 NH2 ARG A 55 14.824 -6.072 -8.035 1.00 0.00 N ATOM 0 H ARG A 55 8.744 -3.590 -5.432 1.00 0.00 H new ATOM 0 HA ARG A 55 7.973 -3.902 -8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.922 -5.806 -6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.571 -6.341 -7.667 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.204 -4.566 -8.522 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.636 -4.233 -6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.257 -6.667 -6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.889 -6.948 -8.250 1.00 0.00 H new ATOM 0 HE ARG A 55 12.716 -4.798 -8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.541 -7.988 -6.914 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.284 -8.262 -7.007 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.947 -5.151 -8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.634 -6.670 -7.871 1.00 0.00 H new ATOM 204 N LEU A 56 6.082 -5.190 -5.838 1.00 0.00 N ATOM 205 CA LEU A 56 4.712 -5.727 -5.586 1.00 0.00 C ATOM 206 C LEU A 56 3.682 -4.880 -6.339 1.00 0.00 C ATOM 207 O LEU A 56 2.974 -5.368 -7.198 1.00 0.00 O ATOM 208 CB LEU A 56 4.417 -5.669 -4.081 1.00 0.00 C ATOM 209 CG LEU A 56 3.116 -6.434 -3.761 1.00 0.00 C ATOM 210 CD1 LEU A 56 3.397 -7.936 -3.624 1.00 0.00 C ATOM 211 CD2 LEU A 56 2.528 -5.919 -2.442 1.00 0.00 C ATOM 0 H LEU A 56 6.666 -5.090 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 56 4.655 -6.759 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.248 -6.102 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.325 -4.631 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 56 2.410 -6.272 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.469 -8.461 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.810 -8.316 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.112 -8.100 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.609 -6.460 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.247 -6.075 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.309 -4.855 -2.532 1.00 0.00 H new ATOM 223 N VAL A 57 3.593 -3.618 -6.023 1.00 0.00 N ATOM 224 CA VAL A 57 2.608 -2.745 -6.721 1.00 0.00 C ATOM 225 C VAL A 57 2.746 -2.925 -8.234 1.00 0.00 C ATOM 226 O VAL A 57 1.789 -2.809 -8.973 1.00 0.00 O ATOM 227 CB VAL A 57 2.871 -1.284 -6.351 1.00 0.00 C ATOM 228 CG1 VAL A 57 1.900 -0.379 -7.113 1.00 0.00 C ATOM 229 CG2 VAL A 57 2.667 -1.095 -4.844 1.00 0.00 C ATOM 0 H VAL A 57 4.159 -3.154 -5.313 1.00 0.00 H new ATOM 0 HA VAL A 57 1.598 -3.020 -6.416 1.00 0.00 H new ATOM 0 HB VAL A 57 3.895 -1.022 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.089 0.661 -6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.044 -0.512 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.875 -0.641 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.854 -0.054 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.643 -1.358 -4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.359 -1.738 -4.300 1.00 0.00 H new ATOM 239 N ASP A 58 3.932 -3.212 -8.702 1.00 0.00 N ATOM 240 CA ASP A 58 4.132 -3.401 -10.168 1.00 0.00 C ATOM 241 C ASP A 58 3.778 -4.842 -10.548 1.00 0.00 C ATOM 242 O ASP A 58 2.717 -5.335 -10.220 1.00 0.00 O ATOM 243 CB ASP A 58 5.596 -3.123 -10.522 1.00 0.00 C ATOM 244 CG ASP A 58 5.735 -2.966 -12.037 1.00 0.00 C ATOM 245 OD1 ASP A 58 5.296 -1.951 -12.551 1.00 0.00 O ATOM 246 OD2 ASP A 58 6.280 -3.865 -12.658 1.00 0.00 O ATOM 0 H ASP A 58 4.771 -3.324 -8.132 1.00 0.00 H new ATOM 0 HA ASP A 58 3.489 -2.712 -10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.937 -2.218 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.227 -3.939 -10.171 1.00 0.00 H new ATOM 251 N ASP A 59 4.660 -5.519 -11.236 1.00 0.00 N ATOM 252 CA ASP A 59 4.385 -6.928 -11.641 1.00 0.00 C ATOM 253 C ASP A 59 3.043 -7.005 -12.375 1.00 0.00 C ATOM 254 O ASP A 59 2.295 -6.049 -12.423 1.00 0.00 O ATOM 255 CB ASP A 59 4.343 -7.823 -10.399 1.00 0.00 C ATOM 256 CG ASP A 59 5.765 -8.034 -9.874 1.00 0.00 C ATOM 257 OD1 ASP A 59 6.684 -7.513 -10.484 1.00 0.00 O ATOM 258 OD2 ASP A 59 5.910 -8.712 -8.869 1.00 0.00 O ATOM 0 H ASP A 59 5.564 -5.154 -11.536 1.00 0.00 H new ATOM 0 HA ASP A 59 5.178 -7.270 -12.306 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.724 -7.365 -9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.888 -8.783 -10.644 1.00 0.00 H new ATOM 263 N ALA A 60 2.739 -8.142 -12.953 1.00 0.00 N ATOM 264 CA ALA A 60 1.447 -8.303 -13.694 1.00 0.00 C ATOM 265 C ALA A 60 0.484 -9.148 -12.860 1.00 0.00 C ATOM 266 O ALA A 60 -0.674 -8.816 -12.703 1.00 0.00 O ATOM 267 CB ALA A 60 1.714 -9.008 -15.025 1.00 0.00 C ATOM 0 H ALA A 60 3.334 -8.971 -12.943 1.00 0.00 H new ATOM 0 HA ALA A 60 1.007 -7.323 -13.878 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.776 -9.127 -15.568 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.405 -8.411 -15.621 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.151 -9.988 -14.836 1.00 0.00 H new ATOM 273 N ASP A 61 0.953 -10.242 -12.327 1.00 0.00 N ATOM 274 CA ASP A 61 0.067 -11.113 -11.505 1.00 0.00 C ATOM 275 C ASP A 61 -0.678 -10.260 -10.476 1.00 0.00 C ATOM 276 O ASP A 61 -1.765 -10.593 -10.049 1.00 0.00 O ATOM 277 CB ASP A 61 0.915 -12.162 -10.780 1.00 0.00 C ATOM 278 CG ASP A 61 0.005 -13.262 -10.228 1.00 0.00 C ATOM 279 OD1 ASP A 61 -0.750 -13.824 -11.005 1.00 0.00 O ATOM 280 OD2 ASP A 61 0.078 -13.522 -9.039 1.00 0.00 O ATOM 0 H ASP A 61 1.913 -10.571 -12.425 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.654 -11.611 -12.153 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.647 -12.590 -11.465 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.473 -11.696 -9.968 1.00 0.00 H new ATOM 285 N THR A 62 -0.099 -9.158 -10.074 1.00 0.00 N ATOM 286 CA THR A 62 -0.765 -8.271 -9.071 1.00 0.00 C ATOM 287 C THR A 62 -1.434 -7.101 -9.798 1.00 0.00 C ATOM 288 O THR A 62 -1.530 -6.007 -9.279 1.00 0.00 O ATOM 289 CB THR A 62 0.291 -7.727 -8.103 1.00 0.00 C ATOM 290 OG1 THR A 62 0.921 -6.593 -8.682 1.00 0.00 O ATOM 291 CG2 THR A 62 1.337 -8.807 -7.824 1.00 0.00 C ATOM 0 H THR A 62 0.811 -8.832 -10.399 1.00 0.00 H new ATOM 0 HA THR A 62 -1.515 -8.837 -8.518 1.00 0.00 H new ATOM 0 HB THR A 62 -0.188 -7.440 -7.167 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.644 -6.887 -9.275 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.087 -8.418 -7.135 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.853 -9.676 -7.380 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.818 -9.098 -8.758 1.00 0.00 H new ATOM 299 N ASN A 63 -1.895 -7.324 -11.001 1.00 0.00 N ATOM 300 CA ASN A 63 -2.555 -6.228 -11.769 1.00 0.00 C ATOM 301 C ASN A 63 -4.044 -6.175 -11.425 1.00 0.00 C ATOM 302 O ASN A 63 -4.886 -6.038 -12.290 1.00 0.00 O ATOM 303 CB ASN A 63 -2.391 -6.489 -13.268 1.00 0.00 C ATOM 304 CG ASN A 63 -2.946 -5.302 -14.058 1.00 0.00 C ATOM 305 OD1 ASN A 63 -4.028 -5.375 -14.606 1.00 0.00 O ATOM 306 ND2 ASN A 63 -2.247 -4.204 -14.139 1.00 0.00 N ATOM 0 H ASN A 63 -1.843 -8.220 -11.485 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.091 -5.277 -11.507 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.338 -6.639 -13.509 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.915 -7.403 -13.548 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.609 -3.407 -14.662 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.339 -4.143 -13.679 1.00 0.00 H new ATOM 313 N ARG A 64 -4.379 -6.278 -10.167 1.00 0.00 N ATOM 314 CA ARG A 64 -5.816 -6.229 -9.775 1.00 0.00 C ATOM 315 C ARG A 64 -5.926 -6.126 -8.251 1.00 0.00 C ATOM 316 O ARG A 64 -6.785 -5.448 -7.722 1.00 0.00 O ATOM 317 CB ARG A 64 -6.528 -7.490 -10.279 1.00 0.00 C ATOM 318 CG ARG A 64 -6.302 -8.659 -9.316 1.00 0.00 C ATOM 319 CD ARG A 64 -6.673 -9.956 -10.023 1.00 0.00 C ATOM 320 NE ARG A 64 -6.466 -11.109 -9.103 1.00 0.00 N ATOM 321 CZ ARG A 64 -6.996 -12.269 -9.381 1.00 0.00 C ATOM 322 NH1 ARG A 64 -7.707 -12.419 -10.465 1.00 0.00 N ATOM 323 NH2 ARG A 64 -6.814 -13.280 -8.576 1.00 0.00 N ATOM 0 H ARG A 64 -3.721 -6.394 -9.396 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.290 -5.356 -10.222 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.596 -7.296 -10.379 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.157 -7.752 -11.270 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.261 -8.688 -8.996 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.908 -8.532 -8.419 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.713 -9.920 -10.347 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.064 -10.080 -10.919 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.910 -10.992 -8.256 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.849 -11.630 -11.095 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.121 -13.326 -10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.257 -13.164 -7.729 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.228 -14.186 -8.794 1.00 0.00 H new ATOM 337 N LEU A 65 -5.063 -6.802 -7.543 1.00 0.00 N ATOM 338 CA LEU A 65 -5.118 -6.753 -6.058 1.00 0.00 C ATOM 339 C LEU A 65 -4.470 -5.455 -5.579 1.00 0.00 C ATOM 340 O LEU A 65 -4.830 -4.916 -4.555 1.00 0.00 O ATOM 341 CB LEU A 65 -4.354 -7.953 -5.473 1.00 0.00 C ATOM 342 CG LEU A 65 -5.089 -9.273 -5.790 1.00 0.00 C ATOM 343 CD1 LEU A 65 -4.092 -10.438 -5.767 1.00 0.00 C ATOM 344 CD2 LEU A 65 -6.198 -9.533 -4.749 1.00 0.00 C ATOM 0 H LEU A 65 -4.322 -7.386 -7.931 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.156 -6.793 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.345 -7.984 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.254 -7.836 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.540 -9.192 -6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.614 -11.368 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.317 -10.268 -6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.636 -10.507 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.707 -10.467 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.755 -9.603 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.916 -8.713 -4.770 1.00 0.00 H new ATOM 356 N ILE A 66 -3.520 -4.941 -6.313 1.00 0.00 N ATOM 357 CA ILE A 66 -2.858 -3.671 -5.892 1.00 0.00 C ATOM 358 C ILE A 66 -2.267 -2.969 -7.116 1.00 0.00 C ATOM 359 O ILE A 66 -1.653 -3.588 -7.963 1.00 0.00 O ATOM 360 CB ILE A 66 -1.741 -3.981 -4.892 1.00 0.00 C ATOM 361 CG1 ILE A 66 -1.011 -2.679 -4.531 1.00 0.00 C ATOM 362 CG2 ILE A 66 -0.759 -4.977 -5.519 1.00 0.00 C ATOM 363 CD1 ILE A 66 -0.155 -2.885 -3.276 1.00 0.00 C ATOM 0 H ILE A 66 -3.174 -5.344 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.595 -3.020 -5.422 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.163 -4.419 -3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.381 -2.364 -5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.735 -1.882 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.037 -5.199 -4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.286 -5.897 -5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.329 -4.544 -6.422 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.358 -1.956 -3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.794 -3.179 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.581 -3.667 -3.462 1.00 0.00 H new ATOM 375 N CYS A 67 -2.450 -1.679 -7.216 1.00 0.00 N ATOM 376 CA CYS A 67 -1.900 -0.933 -8.385 1.00 0.00 C ATOM 377 C CYS A 67 -1.703 0.537 -8.007 1.00 0.00 C ATOM 378 O CYS A 67 -1.983 0.946 -6.898 1.00 0.00 O ATOM 379 CB CYS A 67 -2.880 -1.030 -9.557 1.00 0.00 C ATOM 380 SG CYS A 67 -4.416 -0.173 -9.130 1.00 0.00 S ATOM 0 H CYS A 67 -2.957 -1.110 -6.538 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.942 -1.365 -8.673 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.440 -0.587 -10.451 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.086 -2.075 -9.787 1.00 0.00 H new ATOM 0 HG CYS A 67 -4.234 1.111 -9.214 1.00 0.00 H new ATOM 386 N TRP A 68 -1.222 1.335 -8.922 1.00 0.00 N ATOM 387 CA TRP A 68 -1.006 2.779 -8.617 1.00 0.00 C ATOM 388 C TRP A 68 -2.333 3.532 -8.739 1.00 0.00 C ATOM 389 O TRP A 68 -3.197 3.161 -9.509 1.00 0.00 O ATOM 390 CB TRP A 68 0.000 3.365 -9.609 1.00 0.00 C ATOM 391 CG TRP A 68 1.327 2.699 -9.432 1.00 0.00 C ATOM 392 CD1 TRP A 68 1.742 1.601 -10.106 1.00 0.00 C ATOM 393 CD2 TRP A 68 2.418 3.068 -8.538 1.00 0.00 C ATOM 394 NE1 TRP A 68 3.018 1.270 -9.685 1.00 0.00 N ATOM 395 CE2 TRP A 68 3.479 2.141 -8.720 1.00 0.00 C ATOM 396 CE3 TRP A 68 2.589 4.106 -7.594 1.00 0.00 C ATOM 397 CZ2 TRP A 68 4.673 2.242 -7.989 1.00 0.00 C ATOM 398 CZ3 TRP A 68 3.788 4.212 -6.857 1.00 0.00 C ATOM 399 CH2 TRP A 68 4.827 3.280 -7.055 1.00 0.00 C ATOM 0 H TRP A 68 -0.969 1.049 -9.868 1.00 0.00 H new ATOM 0 HA TRP A 68 -0.621 2.880 -7.602 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.356 3.223 -10.629 1.00 0.00 H new ATOM 0 HB3 TRP A 68 0.097 4.439 -9.452 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.170 1.069 -10.852 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.552 0.479 -10.044 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.797 4.823 -7.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 5.468 1.527 -8.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.910 5.010 -6.139 1.00 0.00 H new ATOM 0 HH2 TRP A 68 5.742 3.364 -6.488 1.00 0.00 H new ATOM 410 N THR A 69 -2.502 4.588 -7.989 1.00 0.00 N ATOM 411 CA THR A 69 -3.774 5.363 -8.068 1.00 0.00 C ATOM 412 C THR A 69 -3.706 6.339 -9.244 1.00 0.00 C ATOM 413 O THR A 69 -2.789 7.127 -9.358 1.00 0.00 O ATOM 414 CB THR A 69 -3.980 6.148 -6.772 1.00 0.00 C ATOM 415 OG1 THR A 69 -3.098 7.260 -6.747 1.00 0.00 O ATOM 416 CG2 THR A 69 -3.696 5.242 -5.576 1.00 0.00 C ATOM 0 H THR A 69 -1.815 4.947 -7.326 1.00 0.00 H new ATOM 0 HA THR A 69 -4.606 4.674 -8.212 1.00 0.00 H new ATOM 0 HB THR A 69 -5.010 6.501 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.566 7.274 -7.570 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.843 5.802 -4.652 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.375 4.390 -5.596 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.667 4.887 -5.625 1.00 0.00 H new ATOM 424 N LYS A 70 -4.674 6.292 -10.118 1.00 0.00 N ATOM 425 CA LYS A 70 -4.674 7.217 -11.289 1.00 0.00 C ATOM 426 C LYS A 70 -3.283 7.240 -11.931 1.00 0.00 C ATOM 427 O LYS A 70 -2.885 6.311 -12.605 1.00 0.00 O ATOM 428 CB LYS A 70 -5.042 8.628 -10.824 1.00 0.00 C ATOM 429 CG LYS A 70 -6.509 8.653 -10.387 1.00 0.00 C ATOM 430 CD LYS A 70 -6.937 10.097 -10.117 1.00 0.00 C ATOM 431 CE LYS A 70 -8.357 10.113 -9.550 1.00 0.00 C ATOM 432 NZ LYS A 70 -8.661 11.466 -9.006 1.00 0.00 N ATOM 0 H LYS A 70 -5.467 5.652 -10.072 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.404 6.870 -12.021 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.399 8.929 -9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.879 9.343 -11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.138 8.215 -11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.642 8.049 -9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.248 10.566 -9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.896 10.678 -11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.074 9.853 -10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.455 9.364 -8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.627 11.476 -8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.984 11.697 -8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.584 12.171 -9.767 1.00 0.00 H new ATOM 446 N ASP A 71 -2.543 8.297 -11.728 1.00 0.00 N ATOM 447 CA ASP A 71 -1.180 8.381 -12.327 1.00 0.00 C ATOM 448 C ASP A 71 -0.188 7.607 -11.456 1.00 0.00 C ATOM 449 O ASP A 71 0.023 6.426 -11.640 1.00 0.00 O ATOM 450 CB ASP A 71 -0.751 9.847 -12.410 1.00 0.00 C ATOM 451 CG ASP A 71 -1.670 10.595 -13.376 1.00 0.00 C ATOM 452 OD1 ASP A 71 -2.039 10.013 -14.383 1.00 0.00 O ATOM 453 OD2 ASP A 71 -1.990 11.739 -13.093 1.00 0.00 O ATOM 0 H ASP A 71 -2.824 9.106 -11.173 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.196 7.949 -13.327 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.794 10.306 -11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.283 9.916 -12.749 1.00 0.00 H new ATOM 458 N GLY A 72 0.423 8.266 -10.508 1.00 0.00 N ATOM 459 CA GLY A 72 1.403 7.568 -9.627 1.00 0.00 C ATOM 460 C GLY A 72 1.569 8.350 -8.322 1.00 0.00 C ATOM 461 O GLY A 72 2.664 8.702 -7.934 1.00 0.00 O ATOM 0 H GLY A 72 0.286 9.256 -10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.060 6.556 -9.415 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.364 7.479 -10.134 1.00 0.00 H new ATOM 465 N GLN A 73 0.487 8.621 -7.640 1.00 0.00 N ATOM 466 CA GLN A 73 0.578 9.379 -6.356 1.00 0.00 C ATOM 467 C GLN A 73 0.756 8.396 -5.198 1.00 0.00 C ATOM 468 O GLN A 73 1.379 8.702 -4.200 1.00 0.00 O ATOM 469 CB GLN A 73 -0.709 10.182 -6.149 1.00 0.00 C ATOM 470 CG GLN A 73 -0.778 11.313 -7.177 1.00 0.00 C ATOM 471 CD GLN A 73 -1.938 12.247 -6.830 1.00 0.00 C ATOM 472 OE1 GLN A 73 -3.083 11.841 -6.835 1.00 0.00 O ATOM 473 NE2 GLN A 73 -1.689 13.491 -6.524 1.00 0.00 N ATOM 0 H GLN A 73 -0.457 8.350 -7.917 1.00 0.00 H new ATOM 0 HA GLN A 73 1.430 10.058 -6.392 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.577 9.530 -6.251 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.736 10.592 -5.139 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.160 11.868 -7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.915 10.902 -8.177 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.728 13.833 -6.520 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.455 14.122 -6.289 1.00 0.00 H new ATOM 482 N SER A 74 0.215 7.214 -5.321 1.00 0.00 N ATOM 483 CA SER A 74 0.355 6.211 -4.229 1.00 0.00 C ATOM 484 C SER A 74 -0.172 4.857 -4.714 1.00 0.00 C ATOM 485 O SER A 74 0.144 4.422 -5.804 1.00 0.00 O ATOM 486 CB SER A 74 -0.439 6.673 -3.008 1.00 0.00 C ATOM 487 OG SER A 74 -1.804 6.311 -3.168 1.00 0.00 O ATOM 0 H SER A 74 -0.318 6.900 -6.132 1.00 0.00 H new ATOM 0 HA SER A 74 1.405 6.110 -3.954 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.034 6.218 -2.104 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.349 7.753 -2.889 1.00 0.00 H new ATOM 0 HG SER A 74 -2.218 6.199 -2.287 1.00 0.00 H new ATOM 493 N PHE A 75 -0.970 4.178 -3.926 1.00 0.00 N ATOM 494 CA PHE A 75 -1.492 2.852 -4.384 1.00 0.00 C ATOM 495 C PHE A 75 -2.797 2.511 -3.660 1.00 0.00 C ATOM 496 O PHE A 75 -3.171 3.145 -2.694 1.00 0.00 O ATOM 497 CB PHE A 75 -0.451 1.766 -4.097 1.00 0.00 C ATOM 498 CG PHE A 75 0.006 1.859 -2.662 1.00 0.00 C ATOM 499 CD1 PHE A 75 1.026 2.762 -2.305 1.00 0.00 C ATOM 500 CD2 PHE A 75 -0.581 1.037 -1.681 1.00 0.00 C ATOM 501 CE1 PHE A 75 1.457 2.845 -0.966 1.00 0.00 C ATOM 502 CE2 PHE A 75 -0.149 1.118 -0.342 1.00 0.00 C ATOM 503 CZ PHE A 75 0.870 2.022 0.015 1.00 0.00 C ATOM 0 H PHE A 75 -1.278 4.478 -3.001 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.687 2.903 -5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.878 0.781 -4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.401 1.880 -4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.478 3.391 -3.058 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.363 0.344 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.237 3.540 -0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.599 0.487 0.410 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.201 2.084 1.041 1.00 0.00 H new ATOM 513 N VAL A 76 -3.494 1.503 -4.129 1.00 0.00 N ATOM 514 CA VAL A 76 -4.781 1.102 -3.483 1.00 0.00 C ATOM 515 C VAL A 76 -4.962 -0.411 -3.601 1.00 0.00 C ATOM 516 O VAL A 76 -4.398 -1.052 -4.465 1.00 0.00 O ATOM 517 CB VAL A 76 -5.950 1.815 -4.174 1.00 0.00 C ATOM 518 CG1 VAL A 76 -5.816 1.677 -5.694 1.00 0.00 C ATOM 519 CG2 VAL A 76 -7.294 1.214 -3.722 1.00 0.00 C ATOM 0 H VAL A 76 -3.224 0.939 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.759 1.384 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.924 2.869 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.649 2.185 -6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.877 2.126 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.826 0.621 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.111 1.733 -4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.324 0.155 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.399 1.328 -2.643 1.00 0.00 H new ATOM 529 N ILE A 77 -5.754 -0.976 -2.729 1.00 0.00 N ATOM 530 CA ILE A 77 -6.008 -2.456 -2.748 1.00 0.00 C ATOM 531 C ILE A 77 -7.524 -2.690 -2.718 1.00 0.00 C ATOM 532 O ILE A 77 -8.093 -3.006 -1.694 1.00 0.00 O ATOM 533 CB ILE A 77 -5.347 -3.109 -1.514 1.00 0.00 C ATOM 534 CG1 ILE A 77 -3.827 -2.818 -1.525 1.00 0.00 C ATOM 535 CG2 ILE A 77 -5.592 -4.630 -1.512 1.00 0.00 C ATOM 536 CD1 ILE A 77 -3.257 -2.913 -0.105 1.00 0.00 C ATOM 0 H ILE A 77 -6.245 -0.471 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.584 -2.901 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.790 -2.687 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.318 -3.529 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.643 -1.824 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.119 -5.074 -0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.664 -4.826 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.166 -5.068 -2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.187 -2.706 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.754 -2.185 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.424 -3.916 0.288 1.00 0.00 H new ATOM 548 N GLN A 78 -8.178 -2.539 -3.836 1.00 0.00 N ATOM 549 CA GLN A 78 -9.654 -2.753 -3.875 1.00 0.00 C ATOM 550 C GLN A 78 -10.003 -4.071 -3.175 1.00 0.00 C ATOM 551 O GLN A 78 -10.725 -4.092 -2.196 1.00 0.00 O ATOM 552 CB GLN A 78 -10.123 -2.810 -5.333 1.00 0.00 C ATOM 553 CG GLN A 78 -9.424 -1.712 -6.139 1.00 0.00 C ATOM 554 CD GLN A 78 -10.101 -1.571 -7.504 1.00 0.00 C ATOM 555 OE1 GLN A 78 -10.959 -0.731 -7.685 1.00 0.00 O ATOM 556 NE2 GLN A 78 -9.747 -2.364 -8.478 1.00 0.00 N ATOM 0 H GLN A 78 -7.755 -2.276 -4.726 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.152 -1.929 -3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -9.899 -3.788 -5.760 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -11.204 -2.680 -5.383 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.469 -0.766 -5.600 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.369 -1.956 -6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.026 -3.069 -8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.191 -2.279 -9.392 1.00 0.00 H new ATOM 565 N ASN A 79 -9.499 -5.169 -3.668 1.00 0.00 N ATOM 566 CA ASN A 79 -9.804 -6.483 -3.033 1.00 0.00 C ATOM 567 C ASN A 79 -8.859 -6.712 -1.852 1.00 0.00 C ATOM 568 O ASN A 79 -7.695 -7.008 -2.028 1.00 0.00 O ATOM 569 CB ASN A 79 -9.616 -7.601 -4.061 1.00 0.00 C ATOM 570 CG ASN A 79 -10.782 -7.585 -5.052 1.00 0.00 C ATOM 571 OD1 ASN A 79 -10.594 -7.333 -6.224 1.00 0.00 O ATOM 572 ND2 ASN A 79 -11.987 -7.848 -4.625 1.00 0.00 N ATOM 0 H ASN A 79 -8.889 -5.213 -4.484 1.00 0.00 H new ATOM 0 HA ASN A 79 -10.835 -6.484 -2.678 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -8.673 -7.467 -4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.565 -8.567 -3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.772 -7.842 -5.277 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.144 -8.060 -3.640 1.00 0.00 H new ATOM 579 N GLN A 80 -9.351 -6.576 -0.650 1.00 0.00 N ATOM 580 CA GLN A 80 -8.483 -6.786 0.546 1.00 0.00 C ATOM 581 C GLN A 80 -8.494 -8.267 0.932 1.00 0.00 C ATOM 582 O GLN A 80 -7.842 -8.679 1.870 1.00 0.00 O ATOM 583 CB GLN A 80 -9.019 -5.955 1.713 1.00 0.00 C ATOM 584 CG GLN A 80 -9.088 -4.483 1.303 1.00 0.00 C ATOM 585 CD GLN A 80 -9.780 -3.677 2.404 1.00 0.00 C ATOM 586 OE1 GLN A 80 -9.980 -4.169 3.498 1.00 0.00 O ATOM 587 NE2 GLN A 80 -10.156 -2.452 2.162 1.00 0.00 N ATOM 0 H GLN A 80 -10.319 -6.328 -0.444 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.464 -6.478 0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.008 -6.310 2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.373 -6.071 2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.084 -4.095 1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.634 -4.381 0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.988 -2.039 1.245 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.618 -1.907 2.890 1.00 0.00 H new ATOM 596 N ALA A 81 -9.238 -9.070 0.218 1.00 0.00 N ATOM 597 CA ALA A 81 -9.301 -10.523 0.544 1.00 0.00 C ATOM 598 C ALA A 81 -8.105 -11.251 -0.072 1.00 0.00 C ATOM 599 O ALA A 81 -7.073 -11.411 0.550 1.00 0.00 O ATOM 600 CB ALA A 81 -10.595 -11.113 -0.018 1.00 0.00 C ATOM 0 H ALA A 81 -9.806 -8.780 -0.578 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.277 -10.647 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.643 -12.176 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.450 -10.603 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.615 -10.981 -1.100 1.00 0.00 H new ATOM 606 N GLN A 82 -8.241 -11.705 -1.288 1.00 0.00 N ATOM 607 CA GLN A 82 -7.121 -12.438 -1.948 1.00 0.00 C ATOM 608 C GLN A 82 -5.827 -11.624 -1.819 1.00 0.00 C ATOM 609 O GLN A 82 -4.741 -12.143 -1.979 1.00 0.00 O ATOM 610 CB GLN A 82 -7.476 -12.660 -3.442 1.00 0.00 C ATOM 611 CG GLN A 82 -7.574 -14.159 -3.754 1.00 0.00 C ATOM 612 CD GLN A 82 -8.149 -14.354 -5.157 1.00 0.00 C ATOM 613 OE1 GLN A 82 -8.775 -13.465 -5.700 1.00 0.00 O ATOM 614 NE2 GLN A 82 -7.963 -15.490 -5.772 1.00 0.00 N ATOM 0 H GLN A 82 -9.082 -11.600 -1.855 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.972 -13.405 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.423 -12.172 -3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -6.717 -12.200 -4.075 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.589 -14.620 -3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.208 -14.653 -3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.438 -16.236 -5.317 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.343 -15.631 -6.708 1.00 0.00 H new ATOM 623 N PHE A 83 -5.931 -10.358 -1.540 1.00 0.00 N ATOM 624 CA PHE A 83 -4.705 -9.524 -1.414 1.00 0.00 C ATOM 625 C PHE A 83 -3.952 -9.922 -0.138 1.00 0.00 C ATOM 626 O PHE A 83 -2.928 -9.354 0.189 1.00 0.00 O ATOM 627 CB PHE A 83 -5.115 -8.044 -1.362 1.00 0.00 C ATOM 628 CG PHE A 83 -3.989 -7.195 -0.813 1.00 0.00 C ATOM 629 CD1 PHE A 83 -2.984 -6.696 -1.665 1.00 0.00 C ATOM 630 CD2 PHE A 83 -3.953 -6.910 0.562 1.00 0.00 C ATOM 631 CE1 PHE A 83 -1.943 -5.910 -1.135 1.00 0.00 C ATOM 632 CE2 PHE A 83 -2.913 -6.123 1.092 1.00 0.00 C ATOM 633 CZ PHE A 83 -1.908 -5.624 0.244 1.00 0.00 C ATOM 0 H PHE A 83 -6.811 -9.863 -1.394 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.048 -9.681 -2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.382 -7.700 -2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.001 -7.929 -0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.012 -6.916 -2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.724 -7.295 1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.171 -5.526 -1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.887 -5.903 2.149 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.109 -5.021 0.650 1.00 0.00 H new ATOM 643 N ALA A 84 -4.453 -10.894 0.585 1.00 0.00 N ATOM 644 CA ALA A 84 -3.779 -11.336 1.848 1.00 0.00 C ATOM 645 C ALA A 84 -3.247 -12.761 1.687 1.00 0.00 C ATOM 646 O ALA A 84 -2.064 -13.006 1.799 1.00 0.00 O ATOM 647 CB ALA A 84 -4.789 -11.304 2.995 1.00 0.00 C ATOM 0 H ALA A 84 -5.305 -11.404 0.353 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.948 -10.665 2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.303 -11.625 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.167 -10.289 3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.618 -11.975 2.769 1.00 0.00 H new ATOM 653 N LYS A 85 -4.112 -13.707 1.441 1.00 0.00 N ATOM 654 CA LYS A 85 -3.657 -15.118 1.295 1.00 0.00 C ATOM 655 C LYS A 85 -3.132 -15.374 -0.121 1.00 0.00 C ATOM 656 O LYS A 85 -3.293 -16.450 -0.662 1.00 0.00 O ATOM 657 CB LYS A 85 -4.828 -16.055 1.576 1.00 0.00 C ATOM 658 CG LYS A 85 -5.926 -15.844 0.529 1.00 0.00 C ATOM 659 CD LYS A 85 -7.228 -16.501 1.004 1.00 0.00 C ATOM 660 CE LYS A 85 -6.942 -17.924 1.493 1.00 0.00 C ATOM 661 NZ LYS A 85 -8.218 -18.691 1.574 1.00 0.00 N ATOM 0 H LYS A 85 -5.116 -13.563 1.335 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.850 -15.301 2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.489 -17.091 1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.224 -15.867 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.084 -14.778 0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.619 -16.272 -0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.671 -15.913 1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.952 -16.525 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.250 -18.421 0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.461 -17.894 2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.022 -19.657 1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.864 -18.221 2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.659 -18.731 0.633 1.00 0.00 H new ATOM 675 N GLU A 86 -2.501 -14.406 -0.734 1.00 0.00 N ATOM 676 CA GLU A 86 -1.978 -14.625 -2.113 1.00 0.00 C ATOM 677 C GLU A 86 -0.842 -13.636 -2.419 1.00 0.00 C ATOM 678 O GLU A 86 -0.368 -13.556 -3.534 1.00 0.00 O ATOM 679 CB GLU A 86 -3.121 -14.430 -3.119 1.00 0.00 C ATOM 680 CG GLU A 86 -2.793 -15.154 -4.426 1.00 0.00 C ATOM 681 CD GLU A 86 -3.971 -15.022 -5.393 1.00 0.00 C ATOM 682 OE1 GLU A 86 -4.568 -13.958 -5.428 1.00 0.00 O ATOM 683 OE2 GLU A 86 -4.256 -15.988 -6.083 1.00 0.00 O ATOM 0 H GLU A 86 -2.327 -13.481 -0.342 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.584 -15.638 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.052 -14.815 -2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.272 -13.367 -3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.893 -14.731 -4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.587 -16.206 -4.229 1.00 0.00 H new ATOM 690 N LEU A 87 -0.397 -12.882 -1.445 1.00 0.00 N ATOM 691 CA LEU A 87 0.709 -11.904 -1.700 1.00 0.00 C ATOM 692 C LEU A 87 1.590 -11.782 -0.453 1.00 0.00 C ATOM 693 O LEU A 87 2.776 -11.538 -0.543 1.00 0.00 O ATOM 694 CB LEU A 87 0.121 -10.524 -2.029 1.00 0.00 C ATOM 695 CG LEU A 87 -0.521 -10.523 -3.427 1.00 0.00 C ATOM 696 CD1 LEU A 87 -1.214 -9.174 -3.651 1.00 0.00 C ATOM 697 CD2 LEU A 87 0.552 -10.741 -4.517 1.00 0.00 C ATOM 0 H LEU A 87 -0.749 -12.900 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 87 1.305 -12.259 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.625 -10.254 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.906 -9.769 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.246 -11.334 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.673 -9.161 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.982 -9.029 -2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.480 -8.372 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.079 -10.737 -5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.290 -9.940 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.045 -11.700 -4.355 1.00 0.00 H new ATOM 709 N LEU A 88 1.020 -11.939 0.713 1.00 0.00 N ATOM 710 CA LEU A 88 1.828 -11.821 1.960 1.00 0.00 C ATOM 711 C LEU A 88 2.658 -13.095 2.242 1.00 0.00 C ATOM 712 O LEU A 88 3.741 -12.983 2.782 1.00 0.00 O ATOM 713 CB LEU A 88 0.909 -11.534 3.155 1.00 0.00 C ATOM 714 CG LEU A 88 -0.117 -10.459 2.781 1.00 0.00 C ATOM 715 CD1 LEU A 88 -1.095 -10.264 3.942 1.00 0.00 C ATOM 716 CD2 LEU A 88 0.600 -9.137 2.490 1.00 0.00 C ATOM 0 H LEU A 88 0.031 -12.144 0.854 1.00 0.00 H new ATOM 0 HA LEU A 88 2.525 -10.995 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.397 -12.447 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.501 -11.202 4.008 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.663 -10.775 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.826 -9.500 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.610 -11.203 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.547 -9.950 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.134 -8.376 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.149 -8.818 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.295 -9.275 1.662 1.00 0.00 H new ATOM 728 N PRO A 89 2.159 -14.276 1.906 1.00 0.00 N ATOM 729 CA PRO A 89 2.913 -15.516 2.179 1.00 0.00 C ATOM 730 C PRO A 89 4.194 -15.546 1.334 1.00 0.00 C ATOM 731 O PRO A 89 5.268 -15.831 1.826 1.00 0.00 O ATOM 732 CB PRO A 89 1.948 -16.665 1.799 1.00 0.00 C ATOM 733 CG PRO A 89 0.612 -16.014 1.338 1.00 0.00 C ATOM 734 CD PRO A 89 0.852 -14.491 1.247 1.00 0.00 C ATOM 0 HA PRO A 89 3.230 -15.598 3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.373 -17.276 1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.781 -17.324 2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.303 -16.413 0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.188 -16.236 2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.871 -14.155 0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.060 -13.935 1.748 1.00 0.00 H new ATOM 742 N LEU A 90 4.088 -15.253 0.067 1.00 0.00 N ATOM 743 CA LEU A 90 5.297 -15.264 -0.804 1.00 0.00 C ATOM 744 C LEU A 90 6.078 -13.964 -0.604 1.00 0.00 C ATOM 745 O LEU A 90 6.790 -13.516 -1.481 1.00 0.00 O ATOM 746 CB LEU A 90 4.869 -15.388 -2.270 1.00 0.00 C ATOM 747 CG LEU A 90 3.765 -16.440 -2.395 1.00 0.00 C ATOM 748 CD1 LEU A 90 3.403 -16.622 -3.871 1.00 0.00 C ATOM 749 CD2 LEU A 90 4.259 -17.772 -1.822 1.00 0.00 C ATOM 0 H LEU A 90 3.217 -15.007 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 90 5.930 -16.111 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.512 -14.426 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.723 -15.668 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 90 2.885 -16.112 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.617 -17.371 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.051 -15.674 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.283 -16.950 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.472 -18.521 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.138 -18.102 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.519 -17.642 -0.771 1.00 0.00 H new ATOM 761 N ASN A 91 5.949 -13.350 0.543 1.00 0.00 N ATOM 762 CA ASN A 91 6.683 -12.075 0.801 1.00 0.00 C ATOM 763 C ASN A 91 6.986 -11.950 2.295 1.00 0.00 C ATOM 764 O ASN A 91 8.097 -12.173 2.733 1.00 0.00 O ATOM 765 CB ASN A 91 5.818 -10.893 0.356 1.00 0.00 C ATOM 766 CG ASN A 91 5.775 -10.836 -1.171 1.00 0.00 C ATOM 767 OD1 ASN A 91 6.890 -10.711 -1.839 1.00 0.00 O flip ATOM 768 ND2 ASN A 91 4.718 -10.907 -1.764 1.00 0.00 N flip ATOM 0 H ASN A 91 5.366 -13.677 1.314 1.00 0.00 H new ATOM 0 HA ASN A 91 7.618 -12.075 0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.809 -10.997 0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.223 -9.963 0.754 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.847 -11.005 -1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.701 -10.869 -2.783 1.00 0.00 H new ATOM 775 N TYR A 92 6.007 -11.587 3.083 1.00 0.00 N ATOM 776 CA TYR A 92 6.239 -11.439 4.552 1.00 0.00 C ATOM 777 C TYR A 92 5.968 -12.772 5.256 1.00 0.00 C ATOM 778 O TYR A 92 6.109 -12.885 6.455 1.00 0.00 O ATOM 779 CB TYR A 92 5.296 -10.372 5.108 1.00 0.00 C ATOM 780 CG TYR A 92 5.453 -9.098 4.313 1.00 0.00 C ATOM 781 CD1 TYR A 92 6.550 -8.249 4.553 1.00 0.00 C ATOM 782 CD2 TYR A 92 4.502 -8.756 3.332 1.00 0.00 C ATOM 783 CE1 TYR A 92 6.698 -7.060 3.813 1.00 0.00 C ATOM 784 CE2 TYR A 92 4.649 -7.568 2.591 1.00 0.00 C ATOM 785 CZ TYR A 92 5.747 -6.720 2.832 1.00 0.00 C ATOM 786 OH TYR A 92 5.892 -5.555 2.107 1.00 0.00 O ATOM 0 H TYR A 92 5.056 -11.386 2.773 1.00 0.00 H new ATOM 0 HA TYR A 92 7.274 -11.143 4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.265 -10.721 5.057 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.518 -10.187 6.159 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.279 -8.510 5.306 1.00 0.00 H new ATOM 0 HD2 TYR A 92 3.659 -9.406 3.148 1.00 0.00 H new ATOM 0 HE1 TYR A 92 7.540 -6.410 3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 92 3.920 -7.307 1.838 1.00 0.00 H new ATOM 0 HH TYR A 92 5.151 -5.471 1.471 1.00 0.00 H new ATOM 796 N LYS A 93 5.586 -13.778 4.513 1.00 0.00 N ATOM 797 CA LYS A 93 5.307 -15.114 5.124 1.00 0.00 C ATOM 798 C LYS A 93 3.974 -15.074 5.884 1.00 0.00 C ATOM 799 O LYS A 93 3.052 -15.803 5.573 1.00 0.00 O ATOM 800 CB LYS A 93 6.451 -15.499 6.084 1.00 0.00 C ATOM 801 CG LYS A 93 6.580 -17.024 6.162 1.00 0.00 C ATOM 802 CD LYS A 93 7.759 -17.388 7.065 1.00 0.00 C ATOM 803 CE LYS A 93 7.952 -18.906 7.069 1.00 0.00 C ATOM 804 NZ LYS A 93 8.561 -19.332 5.778 1.00 0.00 N ATOM 0 H LYS A 93 5.454 -13.732 3.503 1.00 0.00 H new ATOM 0 HA LYS A 93 5.240 -15.861 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.389 -15.064 5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.257 -15.091 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.660 -17.458 6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.729 -17.439 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.666 -16.897 6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.577 -17.032 8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.593 -19.200 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.994 -19.405 7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.909 -20.308 5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.846 -19.285 5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.354 -18.701 5.543 1.00 0.00 H new ATOM 818 N HIS A 94 3.862 -14.235 6.878 1.00 0.00 N ATOM 819 CA HIS A 94 2.588 -14.162 7.650 1.00 0.00 C ATOM 820 C HIS A 94 1.414 -13.974 6.687 1.00 0.00 C ATOM 821 O HIS A 94 1.584 -13.951 5.485 1.00 0.00 O ATOM 822 CB HIS A 94 2.644 -12.985 8.628 1.00 0.00 C ATOM 823 CG HIS A 94 2.737 -11.694 7.863 1.00 0.00 C ATOM 824 ND1 HIS A 94 1.784 -11.315 6.932 1.00 0.00 N ATOM 825 CD2 HIS A 94 3.663 -10.681 7.886 1.00 0.00 C ATOM 826 CE1 HIS A 94 2.153 -10.119 6.437 1.00 0.00 C ATOM 827 NE2 HIS A 94 3.292 -9.687 6.984 1.00 0.00 N ATOM 0 H HIS A 94 4.596 -13.598 7.189 1.00 0.00 H new ATOM 0 HA HIS A 94 2.452 -15.088 8.209 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.755 -12.982 9.259 1.00 0.00 H new ATOM 0 HB3 HIS A 94 3.504 -13.090 9.289 1.00 0.00 H new ATOM 0 HD2 HIS A 94 4.545 -10.658 8.509 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.596 -9.575 5.689 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.784 -8.816 6.784 1.00 0.00 H new ATOM 835 N ASN A 95 0.220 -13.843 7.206 1.00 0.00 N ATOM 836 CA ASN A 95 -0.971 -13.661 6.320 1.00 0.00 C ATOM 837 C ASN A 95 -1.971 -12.717 6.990 1.00 0.00 C ATOM 838 O ASN A 95 -2.870 -12.202 6.356 1.00 0.00 O ATOM 839 CB ASN A 95 -1.637 -15.018 6.080 1.00 0.00 C ATOM 840 CG ASN A 95 -2.783 -14.856 5.082 1.00 0.00 C ATOM 841 OD1 ASN A 95 -2.970 -13.794 4.521 1.00 0.00 O ATOM 842 ND2 ASN A 95 -3.565 -15.870 4.834 1.00 0.00 N ATOM 0 H ASN A 95 0.017 -13.854 8.206 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.652 -13.235 5.369 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.906 -15.731 5.698 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -2.014 -15.421 7.020 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.333 -15.771 4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.409 -16.762 5.304 1.00 0.00 H new ATOM 849 N ASN A 96 -1.824 -12.482 8.265 1.00 0.00 N ATOM 850 CA ASN A 96 -2.770 -11.567 8.968 1.00 0.00 C ATOM 851 C ASN A 96 -2.917 -10.274 8.161 1.00 0.00 C ATOM 852 O ASN A 96 -1.943 -9.647 7.794 1.00 0.00 O ATOM 853 CB ASN A 96 -2.229 -11.246 10.363 1.00 0.00 C ATOM 854 CG ASN A 96 -2.434 -12.452 11.282 1.00 0.00 C ATOM 855 OD1 ASN A 96 -3.443 -13.124 11.204 1.00 0.00 O ATOM 856 ND2 ASN A 96 -1.514 -12.755 12.155 1.00 0.00 N ATOM 0 H ASN A 96 -1.091 -12.883 8.850 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.743 -12.048 9.063 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.170 -10.996 10.305 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.740 -10.374 10.771 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.641 -13.557 12.773 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.667 -12.190 12.220 1.00 0.00 H new ATOM 863 N MET A 97 -4.126 -9.875 7.872 1.00 0.00 N ATOM 864 CA MET A 97 -4.332 -8.628 7.079 1.00 0.00 C ATOM 865 C MET A 97 -4.189 -7.405 7.991 1.00 0.00 C ATOM 866 O MET A 97 -3.269 -6.623 7.854 1.00 0.00 O ATOM 867 CB MET A 97 -5.735 -8.653 6.448 1.00 0.00 C ATOM 868 CG MET A 97 -5.761 -7.780 5.188 1.00 0.00 C ATOM 869 SD MET A 97 -5.332 -6.074 5.624 1.00 0.00 S ATOM 870 CE MET A 97 -5.231 -5.412 3.941 1.00 0.00 C ATOM 0 H MET A 97 -4.980 -10.358 8.150 1.00 0.00 H new ATOM 0 HA MET A 97 -3.582 -8.569 6.290 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.011 -9.677 6.196 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.472 -8.292 7.166 1.00 0.00 H new ATOM 0 HG2 MET A 97 -5.057 -8.166 4.451 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.750 -7.812 4.731 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.456 -4.647 3.897 1.00 0.00 H new ATOM 0 HE2 MET A 97 -4.987 -6.217 3.248 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.190 -4.973 3.665 1.00 0.00 H new ATOM 880 N ALA A 98 -5.097 -7.228 8.916 1.00 0.00 N ATOM 881 CA ALA A 98 -5.017 -6.052 9.833 1.00 0.00 C ATOM 882 C ALA A 98 -3.584 -5.894 10.346 1.00 0.00 C ATOM 883 O ALA A 98 -3.199 -4.846 10.827 1.00 0.00 O ATOM 884 CB ALA A 98 -5.962 -6.263 11.016 1.00 0.00 C ATOM 0 H ALA A 98 -5.891 -7.848 9.076 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.307 -5.152 9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.904 -5.405 11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.984 -6.370 10.651 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.673 -7.165 11.556 1.00 0.00 H new ATOM 890 N SER A 99 -2.788 -6.923 10.240 1.00 0.00 N ATOM 891 CA SER A 99 -1.381 -6.821 10.713 1.00 0.00 C ATOM 892 C SER A 99 -0.585 -5.992 9.708 1.00 0.00 C ATOM 893 O SER A 99 0.229 -5.166 10.072 1.00 0.00 O ATOM 894 CB SER A 99 -0.771 -8.219 10.820 1.00 0.00 C ATOM 895 OG SER A 99 0.607 -8.107 11.147 1.00 0.00 O ATOM 0 H SER A 99 -3.051 -7.827 9.847 1.00 0.00 H new ATOM 0 HA SER A 99 -1.354 -6.345 11.693 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.292 -8.798 11.583 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.891 -8.753 9.878 1.00 0.00 H new ATOM 0 HG SER A 99 1.000 -9.002 11.218 1.00 0.00 H new ATOM 901 N PHE A 100 -0.821 -6.200 8.442 1.00 0.00 N ATOM 902 CA PHE A 100 -0.089 -5.418 7.411 1.00 0.00 C ATOM 903 C PHE A 100 -0.525 -3.955 7.495 1.00 0.00 C ATOM 904 O PHE A 100 0.286 -3.052 7.462 1.00 0.00 O ATOM 905 CB PHE A 100 -0.416 -5.970 6.021 1.00 0.00 C ATOM 906 CG PHE A 100 0.230 -5.095 4.972 1.00 0.00 C ATOM 907 CD1 PHE A 100 1.612 -5.204 4.719 1.00 0.00 C ATOM 908 CD2 PHE A 100 -0.546 -4.167 4.251 1.00 0.00 C ATOM 909 CE1 PHE A 100 2.217 -4.384 3.748 1.00 0.00 C ATOM 910 CE2 PHE A 100 0.059 -3.348 3.278 1.00 0.00 C ATOM 911 CZ PHE A 100 1.442 -3.457 3.028 1.00 0.00 C ATOM 0 H PHE A 100 -1.490 -6.879 8.078 1.00 0.00 H new ATOM 0 HA PHE A 100 0.985 -5.494 7.584 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.055 -6.994 5.930 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.496 -5.998 5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.207 -5.917 5.270 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.605 -4.083 4.444 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.277 -4.467 3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.536 -2.637 2.724 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.907 -2.828 2.283 1.00 0.00 H new ATOM 921 N ILE A 101 -1.803 -3.715 7.610 1.00 0.00 N ATOM 922 CA ILE A 101 -2.289 -2.312 7.703 1.00 0.00 C ATOM 923 C ILE A 101 -1.856 -1.729 9.049 1.00 0.00 C ATOM 924 O ILE A 101 -1.409 -0.603 9.131 1.00 0.00 O ATOM 925 CB ILE A 101 -3.822 -2.297 7.561 1.00 0.00 C ATOM 926 CG1 ILE A 101 -4.175 -2.761 6.138 1.00 0.00 C ATOM 927 CG2 ILE A 101 -4.379 -0.881 7.794 1.00 0.00 C ATOM 928 CD1 ILE A 101 -5.666 -2.549 5.858 1.00 0.00 C ATOM 0 H ILE A 101 -2.530 -4.430 7.643 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.864 -1.704 6.904 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.263 -2.961 8.305 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.580 -2.208 5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.923 -3.815 6.020 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.464 -0.895 7.689 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.116 -0.547 8.798 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.952 -0.197 7.061 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.897 -2.883 4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.256 -3.122 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.907 -1.490 5.955 1.00 0.00 H new ATOM 940 N ARG A 102 -1.976 -2.483 10.107 1.00 0.00 N ATOM 941 CA ARG A 102 -1.558 -1.960 11.433 1.00 0.00 C ATOM 942 C ARG A 102 -0.087 -1.554 11.357 1.00 0.00 C ATOM 943 O ARG A 102 0.371 -0.693 12.082 1.00 0.00 O ATOM 944 CB ARG A 102 -1.758 -3.050 12.498 1.00 0.00 C ATOM 945 CG ARG A 102 -1.060 -2.657 13.828 1.00 0.00 C ATOM 946 CD ARG A 102 0.285 -3.383 13.966 1.00 0.00 C ATOM 947 NE ARG A 102 0.883 -3.071 15.295 1.00 0.00 N ATOM 948 CZ ARG A 102 1.862 -3.799 15.758 1.00 0.00 C ATOM 949 NH1 ARG A 102 2.319 -4.800 15.057 1.00 0.00 N ATOM 950 NH2 ARG A 102 2.385 -3.524 16.922 1.00 0.00 N ATOM 0 H ARG A 102 -2.344 -3.434 10.109 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.159 -1.092 11.705 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.823 -3.203 12.673 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.355 -3.996 12.136 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.902 -1.579 13.858 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.704 -2.908 14.671 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.142 -4.459 13.863 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.961 -3.073 13.169 1.00 0.00 H new ATOM 0 HE ARG A 102 0.527 -2.288 15.843 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.911 -5.014 14.147 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.084 -5.369 15.419 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.028 -2.740 17.469 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.150 -4.093 17.284 1.00 0.00 H new ATOM 964 N GLN A 103 0.655 -2.163 10.473 1.00 0.00 N ATOM 965 CA GLN A 103 2.092 -1.809 10.339 1.00 0.00 C ATOM 966 C GLN A 103 2.211 -0.507 9.545 1.00 0.00 C ATOM 967 O GLN A 103 3.110 0.282 9.760 1.00 0.00 O ATOM 968 CB GLN A 103 2.828 -2.933 9.605 1.00 0.00 C ATOM 969 CG GLN A 103 3.064 -4.104 10.563 1.00 0.00 C ATOM 970 CD GLN A 103 3.454 -5.348 9.762 1.00 0.00 C ATOM 971 OE1 GLN A 103 3.707 -5.268 8.578 1.00 0.00 O ATOM 972 NE2 GLN A 103 3.511 -6.505 10.365 1.00 0.00 N ATOM 0 H GLN A 103 0.326 -2.891 9.838 1.00 0.00 H new ATOM 0 HA GLN A 103 2.536 -1.677 11.326 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.243 -3.264 8.747 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.780 -2.567 9.220 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.852 -3.854 11.273 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.163 -4.300 11.144 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.298 -6.572 11.360 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.768 -7.341 9.841 1.00 0.00 H new ATOM 981 N LEU A 104 1.305 -0.268 8.634 1.00 0.00 N ATOM 982 CA LEU A 104 1.368 0.990 7.839 1.00 0.00 C ATOM 983 C LEU A 104 1.274 2.183 8.790 1.00 0.00 C ATOM 984 O LEU A 104 1.876 3.214 8.569 1.00 0.00 O ATOM 985 CB LEU A 104 0.202 1.043 6.845 1.00 0.00 C ATOM 986 CG LEU A 104 0.343 -0.060 5.783 1.00 0.00 C ATOM 987 CD1 LEU A 104 -0.885 -0.032 4.865 1.00 0.00 C ATOM 988 CD2 LEU A 104 1.619 0.166 4.943 1.00 0.00 C ATOM 0 H LEU A 104 0.527 -0.888 8.408 1.00 0.00 H new ATOM 0 HA LEU A 104 2.308 1.022 7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.742 0.924 7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.174 2.019 6.361 1.00 0.00 H new ATOM 0 HG LEU A 104 0.416 -1.028 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.792 -0.812 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.785 -0.205 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.952 0.940 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.707 -0.622 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.560 1.134 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.492 0.146 5.595 1.00 0.00 H new ATOM 1000 N ASN A 105 0.523 2.054 9.851 1.00 0.00 N ATOM 1001 CA ASN A 105 0.398 3.185 10.811 1.00 0.00 C ATOM 1002 C ASN A 105 1.752 3.439 11.476 1.00 0.00 C ATOM 1003 O ASN A 105 1.978 4.474 12.070 1.00 0.00 O ATOM 1004 CB ASN A 105 -0.640 2.835 11.880 1.00 0.00 C ATOM 1005 CG ASN A 105 -2.044 2.930 11.280 1.00 0.00 C ATOM 1006 OD1 ASN A 105 -2.261 2.464 10.080 1.00 0.00 O flip ATOM 1007 ND2 ASN A 105 -2.953 3.436 11.909 1.00 0.00 N flip ATOM 0 H ASN A 105 -0.007 1.217 10.093 1.00 0.00 H new ATOM 0 HA ASN A 105 0.081 4.082 10.279 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -0.462 1.828 12.258 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -0.548 3.515 12.727 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.784 3.800 12.847 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.885 3.496 11.499 1.00 0.00 H new ATOM 1014 N MET A 106 2.657 2.500 11.382 1.00 0.00 N ATOM 1015 CA MET A 106 3.999 2.687 12.008 1.00 0.00 C ATOM 1016 C MET A 106 4.939 3.375 11.016 1.00 0.00 C ATOM 1017 O MET A 106 5.810 4.132 11.398 1.00 0.00 O ATOM 1018 CB MET A 106 4.579 1.322 12.395 1.00 0.00 C ATOM 1019 CG MET A 106 3.698 0.657 13.464 1.00 0.00 C ATOM 1020 SD MET A 106 4.691 -0.528 14.408 1.00 0.00 S ATOM 1021 CE MET A 106 4.443 -1.953 13.322 1.00 0.00 C ATOM 0 H MET A 106 2.525 1.612 10.899 1.00 0.00 H new ATOM 0 HA MET A 106 3.897 3.306 12.899 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.642 0.682 11.515 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.594 1.444 12.773 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.282 1.413 14.131 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.856 0.149 12.993 1.00 0.00 H new ATOM 0 HE1 MET A 106 5.115 -2.758 13.619 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.411 -2.294 13.399 1.00 0.00 H new ATOM 0 HE3 MET A 106 4.654 -1.666 12.292 1.00 0.00 H new ATOM 1031 N TYR A 107 4.775 3.124 9.744 1.00 0.00 N ATOM 1032 CA TYR A 107 5.663 3.770 8.740 1.00 0.00 C ATOM 1033 C TYR A 107 5.187 5.204 8.493 1.00 0.00 C ATOM 1034 O TYR A 107 5.952 6.056 8.088 1.00 0.00 O ATOM 1035 CB TYR A 107 5.614 2.984 7.424 1.00 0.00 C ATOM 1036 CG TYR A 107 5.706 1.486 7.669 1.00 0.00 C ATOM 1037 CD1 TYR A 107 6.550 0.958 8.673 1.00 0.00 C ATOM 1038 CD2 TYR A 107 4.938 0.611 6.873 1.00 0.00 C ATOM 1039 CE1 TYR A 107 6.617 -0.434 8.875 1.00 0.00 C ATOM 1040 CE2 TYR A 107 5.009 -0.779 7.077 1.00 0.00 C ATOM 1041 CZ TYR A 107 5.848 -1.302 8.077 1.00 0.00 C ATOM 1042 OH TYR A 107 5.920 -2.666 8.276 1.00 0.00 O ATOM 0 H TYR A 107 4.065 2.500 9.360 1.00 0.00 H new ATOM 0 HA TYR A 107 6.686 3.781 9.115 1.00 0.00 H new ATOM 0 HB2 TYR A 107 4.688 3.212 6.897 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.434 3.300 6.779 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.143 1.622 9.285 1.00 0.00 H new ATOM 0 HD2 TYR A 107 4.293 1.010 6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.260 -0.837 9.644 1.00 0.00 H new ATOM 0 HE2 TYR A 107 4.419 -1.445 6.465 1.00 0.00 H new ATOM 0 HH TYR A 107 6.241 -3.099 7.458 1.00 0.00 H new ATOM 1052 N GLY A 108 3.930 5.480 8.743 1.00 0.00 N ATOM 1053 CA GLY A 108 3.395 6.865 8.534 1.00 0.00 C ATOM 1054 C GLY A 108 2.514 6.904 7.282 1.00 0.00 C ATOM 1055 O GLY A 108 2.914 7.400 6.247 1.00 0.00 O ATOM 0 H GLY A 108 3.247 4.803 9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.817 7.176 9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.220 7.570 8.430 1.00 0.00 H new ATOM 1059 N PHE A 109 1.310 6.394 7.378 1.00 0.00 N ATOM 1060 CA PHE A 109 0.369 6.399 6.215 1.00 0.00 C ATOM 1061 C PHE A 109 -0.932 7.093 6.637 1.00 0.00 C ATOM 1062 O PHE A 109 -1.186 7.295 7.808 1.00 0.00 O ATOM 1063 CB PHE A 109 0.070 4.948 5.801 1.00 0.00 C ATOM 1064 CG PHE A 109 1.107 4.456 4.814 1.00 0.00 C ATOM 1065 CD1 PHE A 109 0.899 4.643 3.434 1.00 0.00 C ATOM 1066 CD2 PHE A 109 2.271 3.808 5.269 1.00 0.00 C ATOM 1067 CE1 PHE A 109 1.853 4.183 2.509 1.00 0.00 C ATOM 1068 CE2 PHE A 109 3.226 3.347 4.340 1.00 0.00 C ATOM 1069 CZ PHE A 109 3.017 3.534 2.962 1.00 0.00 C ATOM 0 H PHE A 109 0.935 5.968 8.226 1.00 0.00 H new ATOM 0 HA PHE A 109 0.813 6.930 5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.064 4.306 6.682 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -0.923 4.888 5.355 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.006 5.140 3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.432 3.664 6.327 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.693 4.328 1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.119 2.849 4.687 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.749 3.180 2.252 1.00 0.00 H new ATOM 1079 N HIS A 110 -1.757 7.457 5.691 1.00 0.00 N ATOM 1080 CA HIS A 110 -3.043 8.135 6.035 1.00 0.00 C ATOM 1081 C HIS A 110 -4.092 7.806 4.970 1.00 0.00 C ATOM 1082 O HIS A 110 -4.324 8.573 4.057 1.00 0.00 O ATOM 1083 CB HIS A 110 -2.825 9.649 6.082 1.00 0.00 C ATOM 1084 CG HIS A 110 -4.116 10.330 6.442 1.00 0.00 C ATOM 1085 ND1 HIS A 110 -4.558 10.431 7.752 1.00 0.00 N ATOM 1086 CD2 HIS A 110 -5.072 10.949 5.676 1.00 0.00 C ATOM 1087 CE1 HIS A 110 -5.733 11.087 7.734 1.00 0.00 C ATOM 1088 NE2 HIS A 110 -6.092 11.427 6.493 1.00 0.00 N ATOM 0 H HIS A 110 -1.596 7.314 4.694 1.00 0.00 H new ATOM 0 HA HIS A 110 -3.389 7.787 7.008 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -2.056 9.894 6.814 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.470 10.006 5.115 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -5.038 11.050 4.601 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -6.315 11.311 8.616 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -6.932 11.929 6.206 1.00 0.00 H new ATOM 1096 N LYS A 111 -4.728 6.670 5.077 1.00 0.00 N ATOM 1097 CA LYS A 111 -5.757 6.298 4.070 1.00 0.00 C ATOM 1098 C LYS A 111 -6.978 7.207 4.228 1.00 0.00 C ATOM 1099 O LYS A 111 -7.523 7.354 5.305 1.00 0.00 O ATOM 1100 CB LYS A 111 -6.166 4.836 4.277 1.00 0.00 C ATOM 1101 CG LYS A 111 -6.803 4.665 5.665 1.00 0.00 C ATOM 1102 CD LYS A 111 -6.847 3.180 6.063 1.00 0.00 C ATOM 1103 CE LYS A 111 -8.016 2.483 5.359 1.00 0.00 C ATOM 1104 NZ LYS A 111 -7.966 1.021 5.646 1.00 0.00 N ATOM 0 H LYS A 111 -4.578 5.986 5.818 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.348 6.419 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -6.871 4.533 3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.294 4.188 4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.233 5.228 6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.813 5.076 5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.909 2.695 5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.955 3.088 7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.963 2.900 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.963 2.656 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.759 0.546 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -7.068 0.629 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.037 0.866 6.672 1.00 0.00 H new ATOM 1118 N ILE A 112 -7.411 7.824 3.161 1.00 0.00 N ATOM 1119 CA ILE A 112 -8.597 8.727 3.238 1.00 0.00 C ATOM 1120 C ILE A 112 -9.854 7.891 2.993 1.00 0.00 C ATOM 1121 O ILE A 112 -10.548 8.055 2.009 1.00 0.00 O ATOM 1122 CB ILE A 112 -8.476 9.845 2.173 1.00 0.00 C ATOM 1123 CG1 ILE A 112 -7.611 9.352 0.982 1.00 0.00 C ATOM 1124 CG2 ILE A 112 -7.874 11.111 2.805 1.00 0.00 C ATOM 1125 CD1 ILE A 112 -6.101 9.530 1.245 1.00 0.00 C ATOM 0 H ILE A 112 -6.992 7.741 2.235 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.652 9.196 4.220 1.00 0.00 H new ATOM 0 HB ILE A 112 -9.468 10.091 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.823 8.300 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -7.888 9.901 0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.793 11.892 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.518 11.455 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.884 10.885 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.537 9.171 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.882 10.585 1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.816 8.960 2.129 1.00 0.00 H new ATOM 1137 N THR A 113 -10.141 6.984 3.878 1.00 0.00 N ATOM 1138 CA THR A 113 -11.341 6.128 3.694 1.00 0.00 C ATOM 1139 C THR A 113 -11.726 5.481 5.026 1.00 0.00 C ATOM 1140 O THR A 113 -10.951 5.455 5.961 1.00 0.00 O ATOM 1141 CB THR A 113 -11.012 5.048 2.658 1.00 0.00 C ATOM 1142 OG1 THR A 113 -12.184 4.295 2.379 1.00 0.00 O ATOM 1143 CG2 THR A 113 -9.909 4.104 3.186 1.00 0.00 C ATOM 0 H THR A 113 -9.597 6.798 4.721 1.00 0.00 H new ATOM 0 HA THR A 113 -12.181 6.729 3.347 1.00 0.00 H new ATOM 0 HB THR A 113 -10.652 5.531 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.182 4.024 1.437 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.690 3.344 2.435 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.007 4.679 3.394 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.251 3.621 4.102 1.00 0.00 H new ATOM 1151 N SER A 114 -12.918 4.956 5.120 1.00 0.00 N ATOM 1152 CA SER A 114 -13.353 4.310 6.391 1.00 0.00 C ATOM 1153 C SER A 114 -13.034 5.232 7.570 1.00 0.00 C ATOM 1154 O SER A 114 -11.941 5.223 8.100 1.00 0.00 O ATOM 1155 CB SER A 114 -12.613 2.984 6.567 1.00 0.00 C ATOM 1156 OG SER A 114 -13.053 2.356 7.765 1.00 0.00 O ATOM 0 H SER A 114 -13.610 4.947 4.370 1.00 0.00 H new ATOM 0 HA SER A 114 -14.427 4.126 6.355 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.800 2.334 5.712 1.00 0.00 H new ATOM 0 HB3 SER A 114 -11.538 3.157 6.607 1.00 0.00 H new ATOM 0 HG SER A 114 -12.582 1.505 7.880 1.00 0.00 H new ATOM 1162 N ILE A 115 -13.979 6.031 7.983 1.00 0.00 N ATOM 1163 CA ILE A 115 -13.727 6.954 9.125 1.00 0.00 C ATOM 1164 C ILE A 115 -15.043 7.639 9.519 1.00 0.00 C ATOM 1165 O ILE A 115 -15.404 8.668 8.984 1.00 0.00 O ATOM 1166 CB ILE A 115 -12.671 7.993 8.704 1.00 0.00 C ATOM 1167 CG1 ILE A 115 -12.701 9.213 9.657 1.00 0.00 C ATOM 1168 CG2 ILE A 115 -12.944 8.444 7.262 1.00 0.00 C ATOM 1169 CD1 ILE A 115 -11.325 9.892 9.695 1.00 0.00 C ATOM 0 H ILE A 115 -14.914 6.085 7.579 1.00 0.00 H new ATOM 0 HA ILE A 115 -13.352 6.402 9.987 1.00 0.00 H new ATOM 0 HB ILE A 115 -11.682 7.537 8.760 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -13.456 9.925 9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.984 8.893 10.660 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -12.197 9.179 6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -12.892 7.583 6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -13.937 8.890 7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -11.360 10.748 10.369 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.578 9.182 10.050 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -11.058 10.229 8.693 1.00 0.00 H new ATOM 1181 N ASP A 116 -15.760 7.064 10.454 1.00 0.00 N ATOM 1182 CA ASP A 116 -17.058 7.659 10.901 1.00 0.00 C ATOM 1183 C ASP A 116 -17.855 8.151 9.687 1.00 0.00 C ATOM 1184 O ASP A 116 -18.461 9.203 9.714 1.00 0.00 O ATOM 1185 CB ASP A 116 -16.794 8.828 11.857 1.00 0.00 C ATOM 1186 CG ASP A 116 -16.149 9.990 11.101 1.00 0.00 C ATOM 1187 OD1 ASP A 116 -16.881 10.767 10.510 1.00 0.00 O ATOM 1188 OD2 ASP A 116 -14.933 10.085 11.127 1.00 0.00 O ATOM 0 H ASP A 116 -15.499 6.201 10.930 1.00 0.00 H new ATOM 0 HA ASP A 116 -17.637 6.896 11.421 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -17.729 9.154 12.312 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -16.141 8.505 12.668 1.00 0.00 H new ATOM 1193 N ASN A 117 -17.859 7.392 8.624 1.00 0.00 N ATOM 1194 CA ASN A 117 -18.615 7.808 7.407 1.00 0.00 C ATOM 1195 C ASN A 117 -19.003 6.568 6.602 1.00 0.00 C ATOM 1196 O ASN A 117 -18.375 5.533 6.694 1.00 0.00 O ATOM 1197 CB ASN A 117 -17.737 8.722 6.550 1.00 0.00 C ATOM 1198 CG ASN A 117 -18.602 9.433 5.508 1.00 0.00 C ATOM 1199 OD1 ASN A 117 -18.903 8.879 4.471 1.00 0.00 O ATOM 1200 ND2 ASN A 117 -19.016 10.649 5.742 1.00 0.00 N ATOM 0 H ASN A 117 -17.370 6.500 8.546 1.00 0.00 H new ATOM 0 HA ASN A 117 -19.516 8.345 7.702 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -17.233 9.455 7.180 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -16.960 8.138 6.056 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -19.592 11.133 5.053 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -18.763 11.115 6.613 1.00 0.00 H new ATOM 1207 N GLY A 118 -20.038 6.666 5.814 1.00 0.00 N ATOM 1208 CA GLY A 118 -20.473 5.494 5.005 1.00 0.00 C ATOM 1209 C GLY A 118 -19.266 4.886 4.287 1.00 0.00 C ATOM 1210 O GLY A 118 -18.368 5.584 3.863 1.00 0.00 O ATOM 0 H GLY A 118 -20.601 7.508 5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -20.939 4.748 5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -21.224 5.801 4.277 1.00 0.00 H new ATOM 1214 N GLY A 119 -19.239 3.587 4.148 1.00 0.00 N ATOM 1215 CA GLY A 119 -18.090 2.933 3.457 1.00 0.00 C ATOM 1216 C GLY A 119 -18.518 1.558 2.937 1.00 0.00 C ATOM 1217 O GLY A 119 -17.695 0.725 2.611 1.00 0.00 O ATOM 0 H GLY A 119 -19.963 2.951 4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -17.748 3.555 2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -17.251 2.828 4.145 1.00 0.00 H new ATOM 1221 N LEU A 120 -19.797 1.312 2.859 1.00 0.00 N ATOM 1222 CA LEU A 120 -20.275 -0.011 2.360 1.00 0.00 C ATOM 1223 C LEU A 120 -19.580 -0.336 1.031 1.00 0.00 C ATOM 1224 O LEU A 120 -18.784 0.434 0.532 1.00 0.00 O ATOM 1225 CB LEU A 120 -21.803 0.025 2.165 1.00 0.00 C ATOM 1226 CG LEU A 120 -22.250 1.408 1.676 1.00 0.00 C ATOM 1227 CD1 LEU A 120 -21.474 1.795 0.415 1.00 0.00 C ATOM 1228 CD2 LEU A 120 -23.746 1.369 1.356 1.00 0.00 C ATOM 0 H LEU A 120 -20.533 1.969 3.119 1.00 0.00 H new ATOM 0 HA LEU A 120 -20.033 -0.784 3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -22.101 -0.736 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -22.301 -0.213 3.105 1.00 0.00 H new ATOM 0 HG LEU A 120 -22.055 2.144 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -21.799 2.779 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -20.407 1.822 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -21.663 1.061 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -24.069 2.350 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -23.933 0.628 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -24.303 1.101 2.254 1.00 0.00 H new ATOM 1240 N ARG A 121 -19.873 -1.476 0.458 1.00 0.00 N ATOM 1241 CA ARG A 121 -19.227 -1.852 -0.835 1.00 0.00 C ATOM 1242 C ARG A 121 -19.272 -0.664 -1.798 1.00 0.00 C ATOM 1243 O ARG A 121 -20.310 -0.080 -2.032 1.00 0.00 O ATOM 1244 CB ARG A 121 -19.967 -3.043 -1.447 1.00 0.00 C ATOM 1245 CG ARG A 121 -21.454 -2.686 -1.663 1.00 0.00 C ATOM 1246 CD ARG A 121 -21.717 -2.330 -3.135 1.00 0.00 C ATOM 1247 NE ARG A 121 -22.943 -1.487 -3.230 1.00 0.00 N ATOM 1248 CZ ARG A 121 -23.198 -0.827 -4.327 1.00 0.00 C ATOM 1249 NH1 ARG A 121 -22.378 -0.901 -5.339 1.00 0.00 N ATOM 1250 NH2 ARG A 121 -24.272 -0.090 -4.410 1.00 0.00 N ATOM 0 H ARG A 121 -20.531 -2.161 0.829 1.00 0.00 H new ATOM 0 HA ARG A 121 -18.188 -2.127 -0.655 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -19.509 -3.317 -2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.884 -3.909 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.082 -3.527 -1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -21.728 -1.845 -1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -20.862 -1.796 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -21.841 -3.239 -3.724 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.583 -1.426 -2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -21.537 -1.475 -5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.578 -0.385 -6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.912 -0.030 -3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.472 0.426 -5.267 1.00 0.00 H new ATOM 1264 N PHE A 122 -18.150 -0.292 -2.353 1.00 0.00 N ATOM 1265 CA PHE A 122 -18.134 0.866 -3.290 1.00 0.00 C ATOM 1266 C PHE A 122 -16.757 0.953 -3.963 1.00 0.00 C ATOM 1267 O PHE A 122 -15.813 1.476 -3.404 1.00 0.00 O ATOM 1268 CB PHE A 122 -18.425 2.154 -2.492 1.00 0.00 C ATOM 1269 CG PHE A 122 -19.048 3.207 -3.385 1.00 0.00 C ATOM 1270 CD1 PHE A 122 -20.291 2.962 -4.007 1.00 0.00 C ATOM 1271 CD2 PHE A 122 -18.392 4.436 -3.592 1.00 0.00 C ATOM 1272 CE1 PHE A 122 -20.870 3.944 -4.833 1.00 0.00 C ATOM 1273 CE2 PHE A 122 -18.972 5.417 -4.419 1.00 0.00 C ATOM 1274 CZ PHE A 122 -20.212 5.170 -5.039 1.00 0.00 C ATOM 0 H PHE A 122 -17.246 -0.739 -2.198 1.00 0.00 H new ATOM 0 HA PHE A 122 -18.894 0.742 -4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -19.096 1.930 -1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -17.500 2.537 -2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -20.798 2.021 -3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -17.442 4.626 -3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -21.821 3.756 -5.309 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -18.466 6.358 -4.578 1.00 0.00 H new ATOM 0 HZ PHE A 122 -20.658 5.922 -5.673 1.00 0.00 H new ATOM 1284 N ASP A 123 -16.636 0.437 -5.159 1.00 0.00 N ATOM 1285 CA ASP A 123 -15.322 0.478 -5.867 1.00 0.00 C ATOM 1286 C ASP A 123 -15.055 1.896 -6.387 1.00 0.00 C ATOM 1287 O ASP A 123 -14.977 2.121 -7.576 1.00 0.00 O ATOM 1288 CB ASP A 123 -15.351 -0.499 -7.045 1.00 0.00 C ATOM 1289 CG ASP A 123 -13.924 -0.748 -7.540 1.00 0.00 C ATOM 1290 OD1 ASP A 123 -13.092 -1.114 -6.726 1.00 0.00 O ATOM 1291 OD2 ASP A 123 -13.688 -0.568 -8.724 1.00 0.00 O ATOM 0 H ASP A 123 -17.392 -0.012 -5.676 1.00 0.00 H new ATOM 0 HA ASP A 123 -14.530 0.195 -5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -15.810 -1.439 -6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -15.961 -0.094 -7.852 1.00 0.00 H new ATOM 1296 N ARG A 124 -14.887 2.839 -5.493 1.00 0.00 N ATOM 1297 CA ARG A 124 -14.603 4.254 -5.892 1.00 0.00 C ATOM 1298 C ARG A 124 -13.841 4.907 -4.758 1.00 0.00 C ATOM 1299 O ARG A 124 -13.284 5.981 -4.880 1.00 0.00 O ATOM 1300 CB ARG A 124 -15.903 5.045 -6.095 1.00 0.00 C ATOM 1301 CG ARG A 124 -16.807 4.368 -7.135 1.00 0.00 C ATOM 1302 CD ARG A 124 -17.641 3.228 -6.497 1.00 0.00 C ATOM 1303 NE ARG A 124 -17.561 1.994 -7.346 1.00 0.00 N ATOM 1304 CZ ARG A 124 -17.737 2.046 -8.642 1.00 0.00 C ATOM 1305 NH1 ARG A 124 -18.060 3.170 -9.220 1.00 0.00 N ATOM 1306 NH2 ARG A 124 -17.613 0.962 -9.357 1.00 0.00 N ATOM 0 H ARG A 124 -14.935 2.686 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 124 -14.040 4.252 -6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -16.434 5.128 -5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -15.668 6.059 -6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -17.475 5.108 -7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -16.197 3.967 -7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -17.271 3.014 -5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -18.680 3.541 -6.393 1.00 0.00 H new ATOM 0 HE ARG A 124 -17.365 1.096 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -18.177 4.015 -8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -18.196 3.203 -10.230 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -17.380 0.077 -8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -17.749 0.999 -10.367 1.00 0.00 H new ATOM 1320 N ASP A 125 -13.823 4.237 -3.654 1.00 0.00 N ATOM 1321 CA ASP A 125 -13.115 4.734 -2.445 1.00 0.00 C ATOM 1322 C ASP A 125 -12.274 3.590 -1.912 1.00 0.00 C ATOM 1323 O ASP A 125 -11.876 3.555 -0.764 1.00 0.00 O ATOM 1324 CB ASP A 125 -14.130 5.178 -1.387 1.00 0.00 C ATOM 1325 CG ASP A 125 -14.970 3.977 -0.950 1.00 0.00 C ATOM 1326 OD1 ASP A 125 -14.784 2.912 -1.515 1.00 0.00 O ATOM 1327 OD2 ASP A 125 -15.785 4.144 -0.058 1.00 0.00 O ATOM 0 H ASP A 125 -14.283 3.335 -3.530 1.00 0.00 H new ATOM 0 HA ASP A 125 -12.488 5.591 -2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.613 5.605 -0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.775 5.958 -1.791 1.00 0.00 H new ATOM 1332 N GLU A 126 -12.010 2.660 -2.775 1.00 0.00 N ATOM 1333 CA GLU A 126 -11.192 1.469 -2.425 1.00 0.00 C ATOM 1334 C GLU A 126 -10.025 1.884 -1.514 1.00 0.00 C ATOM 1335 O GLU A 126 -9.399 2.898 -1.734 1.00 0.00 O ATOM 1336 CB GLU A 126 -10.678 0.853 -3.736 1.00 0.00 C ATOM 1337 CG GLU A 126 -10.467 1.955 -4.800 1.00 0.00 C ATOM 1338 CD GLU A 126 -11.764 2.198 -5.573 1.00 0.00 C ATOM 1339 OE1 GLU A 126 -12.790 1.736 -5.116 1.00 0.00 O ATOM 1340 OE2 GLU A 126 -11.704 2.841 -6.608 1.00 0.00 O ATOM 0 H GLU A 126 -12.337 2.674 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.787 0.735 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -9.740 0.328 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.391 0.115 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.143 2.878 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.675 1.660 -5.488 1.00 0.00 H new ATOM 1347 N ILE A 127 -9.761 1.097 -0.489 1.00 0.00 N ATOM 1348 CA ILE A 127 -8.655 1.390 0.492 1.00 0.00 C ATOM 1349 C ILE A 127 -7.497 2.145 -0.188 1.00 0.00 C ATOM 1350 O ILE A 127 -6.515 1.573 -0.608 1.00 0.00 O ATOM 1351 CB ILE A 127 -8.176 0.049 1.091 1.00 0.00 C ATOM 1352 CG1 ILE A 127 -6.999 0.254 2.061 1.00 0.00 C ATOM 1353 CG2 ILE A 127 -7.754 -0.909 -0.026 1.00 0.00 C ATOM 1354 CD1 ILE A 127 -6.445 -1.114 2.487 1.00 0.00 C ATOM 0 H ILE A 127 -10.280 0.242 -0.287 1.00 0.00 H new ATOM 0 HA ILE A 127 -9.025 2.036 1.288 1.00 0.00 H new ATOM 0 HB ILE A 127 -9.010 -0.380 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -6.217 0.842 1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -7.328 0.814 2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -7.419 -1.850 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -8.602 -1.096 -0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -6.941 -0.464 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -5.611 -0.971 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -7.229 -1.686 2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -6.101 -1.657 1.607 1.00 0.00 H new ATOM 1366 N GLU A 128 -7.618 3.439 -0.306 1.00 0.00 N ATOM 1367 CA GLU A 128 -6.546 4.240 -0.971 1.00 0.00 C ATOM 1368 C GLU A 128 -5.512 4.702 0.055 1.00 0.00 C ATOM 1369 O GLU A 128 -5.817 5.436 0.974 1.00 0.00 O ATOM 1370 CB GLU A 128 -7.176 5.464 -1.639 1.00 0.00 C ATOM 1371 CG GLU A 128 -6.076 6.346 -2.236 1.00 0.00 C ATOM 1372 CD GLU A 128 -6.698 7.357 -3.201 1.00 0.00 C ATOM 1373 OE1 GLU A 128 -7.494 8.164 -2.750 1.00 0.00 O ATOM 1374 OE2 GLU A 128 -6.367 7.308 -4.374 1.00 0.00 O ATOM 0 H GLU A 128 -8.415 3.980 0.030 1.00 0.00 H new ATOM 0 HA GLU A 128 -6.050 3.619 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -7.868 5.149 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.755 6.031 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -5.542 6.867 -1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -5.345 5.730 -2.760 1.00 0.00 H new ATOM 1381 N PHE A 129 -4.283 4.288 -0.109 1.00 0.00 N ATOM 1382 CA PHE A 129 -3.210 4.713 0.839 1.00 0.00 C ATOM 1383 C PHE A 129 -2.477 5.913 0.242 1.00 0.00 C ATOM 1384 O PHE A 129 -1.958 5.846 -0.858 1.00 0.00 O ATOM 1385 CB PHE A 129 -2.213 3.561 1.045 1.00 0.00 C ATOM 1386 CG PHE A 129 -2.763 2.576 2.054 1.00 0.00 C ATOM 1387 CD1 PHE A 129 -2.977 2.980 3.387 1.00 0.00 C ATOM 1388 CD2 PHE A 129 -3.054 1.254 1.665 1.00 0.00 C ATOM 1389 CE1 PHE A 129 -3.484 2.063 4.327 1.00 0.00 C ATOM 1390 CE2 PHE A 129 -3.559 0.339 2.606 1.00 0.00 C ATOM 1391 CZ PHE A 129 -3.775 0.743 3.936 1.00 0.00 C ATOM 0 H PHE A 129 -3.975 3.672 -0.861 1.00 0.00 H new ATOM 0 HA PHE A 129 -3.651 4.980 1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.026 3.057 0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -1.257 3.954 1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -2.752 3.993 3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -2.889 0.943 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -3.650 2.373 5.348 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -3.781 -0.675 2.307 1.00 0.00 H new ATOM 0 HZ PHE A 129 -4.164 0.040 4.657 1.00 0.00 H new ATOM 1401 N SER A 130 -2.429 7.006 0.963 1.00 0.00 N ATOM 1402 CA SER A 130 -1.727 8.228 0.463 1.00 0.00 C ATOM 1403 C SER A 130 -0.414 8.399 1.227 1.00 0.00 C ATOM 1404 O SER A 130 -0.377 8.322 2.440 1.00 0.00 O ATOM 1405 CB SER A 130 -2.612 9.452 0.696 1.00 0.00 C ATOM 1406 OG SER A 130 -1.827 10.631 0.568 1.00 0.00 O ATOM 0 H SER A 130 -2.851 7.104 1.886 1.00 0.00 H new ATOM 0 HA SER A 130 -1.522 8.125 -0.603 1.00 0.00 H new ATOM 0 HB2 SER A 130 -3.430 9.466 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 130 -3.061 9.407 1.688 1.00 0.00 H new ATOM 0 HG SER A 130 -2.392 11.418 0.715 1.00 0.00 H new ATOM 1412 N HIS A 131 0.666 8.621 0.528 1.00 0.00 N ATOM 1413 CA HIS A 131 1.985 8.789 1.211 1.00 0.00 C ATOM 1414 C HIS A 131 2.877 9.722 0.361 1.00 0.00 C ATOM 1415 O HIS A 131 3.465 9.265 -0.600 1.00 0.00 O ATOM 1416 CB HIS A 131 2.654 7.411 1.323 1.00 0.00 C ATOM 1417 CG HIS A 131 3.715 7.440 2.392 1.00 0.00 C ATOM 1418 ND1 HIS A 131 3.966 8.569 3.157 1.00 0.00 N ATOM 1419 CD2 HIS A 131 4.591 6.483 2.838 1.00 0.00 C ATOM 1420 CE1 HIS A 131 4.956 8.263 4.017 1.00 0.00 C ATOM 1421 NE2 HIS A 131 5.374 7.004 3.863 1.00 0.00 N ATOM 0 H HIS A 131 0.694 8.694 -0.489 1.00 0.00 H new ATOM 0 HA HIS A 131 1.847 9.220 2.203 1.00 0.00 H new ATOM 0 HB2 HIS A 131 1.907 6.653 1.560 1.00 0.00 H new ATOM 0 HB3 HIS A 131 3.097 7.134 0.366 1.00 0.00 H new ATOM 0 HD1 HIS A 131 3.488 9.467 3.082 1.00 0.00 H new ATOM 0 HD2 HIS A 131 4.662 5.477 2.452 1.00 0.00 H new ATOM 0 HE1 HIS A 131 5.362 8.952 4.743 1.00 0.00 H new ATOM 1429 N PRO A 132 2.964 10.999 0.705 1.00 0.00 N ATOM 1430 CA PRO A 132 3.794 11.946 -0.074 1.00 0.00 C ATOM 1431 C PRO A 132 5.284 11.562 0.003 1.00 0.00 C ATOM 1432 O PRO A 132 6.152 12.387 -0.200 1.00 0.00 O ATOM 1433 CB PRO A 132 3.533 13.330 0.569 1.00 0.00 C ATOM 1434 CG PRO A 132 2.526 13.122 1.738 1.00 0.00 C ATOM 1435 CD PRO A 132 2.258 11.604 1.856 1.00 0.00 C ATOM 0 HA PRO A 132 3.540 11.941 -1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 132 4.463 13.763 0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 132 3.128 14.024 -0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 132 2.934 13.513 2.670 1.00 0.00 H new ATOM 0 HG3 PRO A 132 1.598 13.661 1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 132 2.633 11.209 2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 132 1.190 11.388 1.822 1.00 0.00 H new ATOM 1443 N PHE A 133 5.589 10.319 0.285 1.00 0.00 N ATOM 1444 CA PHE A 133 7.018 9.883 0.363 1.00 0.00 C ATOM 1445 C PHE A 133 7.146 8.488 -0.253 1.00 0.00 C ATOM 1446 O PHE A 133 7.979 7.697 0.140 1.00 0.00 O ATOM 1447 CB PHE A 133 7.463 9.842 1.827 1.00 0.00 C ATOM 1448 CG PHE A 133 7.710 11.249 2.322 1.00 0.00 C ATOM 1449 CD1 PHE A 133 8.988 11.826 2.195 1.00 0.00 C ATOM 1450 CD2 PHE A 133 6.662 11.982 2.911 1.00 0.00 C ATOM 1451 CE1 PHE A 133 9.218 13.136 2.656 1.00 0.00 C ATOM 1452 CE2 PHE A 133 6.892 13.292 3.372 1.00 0.00 C ATOM 1453 CZ PHE A 133 8.170 13.870 3.245 1.00 0.00 C ATOM 0 H PHE A 133 4.905 9.584 0.465 1.00 0.00 H new ATOM 0 HA PHE A 133 7.649 10.585 -0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 133 6.698 9.360 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 133 8.371 9.247 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 133 9.792 11.263 1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 133 5.682 11.539 3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 133 10.198 13.578 2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 133 6.088 13.854 3.823 1.00 0.00 H new ATOM 0 HZ PHE A 133 8.346 14.875 3.599 1.00 0.00 H new ATOM 1463 N PHE A 134 6.323 8.185 -1.221 1.00 0.00 N ATOM 1464 CA PHE A 134 6.386 6.846 -1.878 1.00 0.00 C ATOM 1465 C PHE A 134 5.923 6.982 -3.330 1.00 0.00 C ATOM 1466 O PHE A 134 5.167 6.174 -3.831 1.00 0.00 O ATOM 1467 CB PHE A 134 5.467 5.870 -1.138 1.00 0.00 C ATOM 1468 CG PHE A 134 5.663 4.476 -1.685 1.00 0.00 C ATOM 1469 CD1 PHE A 134 6.799 3.729 -1.317 1.00 0.00 C ATOM 1470 CD2 PHE A 134 4.710 3.921 -2.563 1.00 0.00 C ATOM 1471 CE1 PHE A 134 6.983 2.429 -1.827 1.00 0.00 C ATOM 1472 CE2 PHE A 134 4.895 2.623 -3.073 1.00 0.00 C ATOM 1473 CZ PHE A 134 6.032 1.877 -2.706 1.00 0.00 C ATOM 0 H PHE A 134 5.606 8.811 -1.587 1.00 0.00 H new ATOM 0 HA PHE A 134 7.408 6.469 -1.850 1.00 0.00 H new ATOM 0 HB2 PHE A 134 5.686 5.887 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 134 4.427 6.174 -1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 134 7.529 4.153 -0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 134 3.838 4.492 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 134 7.853 1.856 -1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 134 4.165 2.198 -3.746 1.00 0.00 H new ATOM 0 HZ PHE A 134 6.174 0.881 -3.099 1.00 0.00 H new ATOM 1483 N LYS A 135 6.368 8.009 -4.007 1.00 0.00 N ATOM 1484 CA LYS A 135 5.951 8.214 -5.427 1.00 0.00 C ATOM 1485 C LYS A 135 6.936 7.499 -6.354 1.00 0.00 C ATOM 1486 O LYS A 135 7.754 6.711 -5.921 1.00 0.00 O ATOM 1487 CB LYS A 135 5.952 9.715 -5.757 1.00 0.00 C ATOM 1488 CG LYS A 135 5.129 10.503 -4.719 1.00 0.00 C ATOM 1489 CD LYS A 135 3.644 10.460 -5.075 1.00 0.00 C ATOM 1490 CE LYS A 135 2.825 11.023 -3.908 1.00 0.00 C ATOM 1491 NZ LYS A 135 1.450 11.353 -4.374 1.00 0.00 N ATOM 0 H LYS A 135 7.003 8.716 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 135 4.948 7.810 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 135 6.976 10.088 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 135 5.538 9.874 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 135 5.284 10.081 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 135 5.471 11.537 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 135 3.458 11.041 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 135 3.339 9.435 -5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 135 2.780 10.295 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 135 3.308 11.915 -3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 1.108 12.199 -3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.465 11.537 -5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 0.815 10.554 -4.175 1.00 0.00 H new ATOM 1505 N ARG A 136 6.864 7.768 -7.631 1.00 0.00 N ATOM 1506 CA ARG A 136 7.793 7.107 -8.594 1.00 0.00 C ATOM 1507 C ARG A 136 9.103 7.898 -8.662 1.00 0.00 C ATOM 1508 O ARG A 136 10.132 7.455 -8.192 1.00 0.00 O ATOM 1509 CB ARG A 136 7.143 7.074 -9.984 1.00 0.00 C ATOM 1510 CG ARG A 136 6.051 5.986 -10.037 1.00 0.00 C ATOM 1511 CD ARG A 136 6.666 4.631 -10.415 1.00 0.00 C ATOM 1512 NE ARG A 136 6.861 4.571 -11.890 1.00 0.00 N ATOM 1513 CZ ARG A 136 7.631 3.654 -12.410 1.00 0.00 C ATOM 1514 NH1 ARG A 136 8.230 2.791 -11.636 1.00 0.00 N ATOM 1515 NH2 ARG A 136 7.802 3.601 -13.702 1.00 0.00 N ATOM 0 H ARG A 136 6.200 8.419 -8.050 1.00 0.00 H new ATOM 0 HA ARG A 136 8.000 6.089 -8.263 1.00 0.00 H new ATOM 0 HB2 ARG A 136 6.708 8.047 -10.213 1.00 0.00 H new ATOM 0 HB3 ARG A 136 7.900 6.877 -10.743 1.00 0.00 H new ATOM 0 HG2 ARG A 136 5.556 5.911 -9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 136 5.288 6.262 -10.765 1.00 0.00 H new ATOM 0 HD2 ARG A 136 7.620 4.497 -9.905 1.00 0.00 H new ATOM 0 HD3 ARG A 136 6.014 3.820 -10.090 1.00 0.00 H new ATOM 0 HE ARG A 136 6.393 5.246 -12.494 1.00 0.00 H new ATOM 0 HH11 ARG A 136 8.096 2.833 -10.626 1.00 0.00 H new ATOM 0 HH12 ARG A 136 8.832 2.074 -12.041 1.00 0.00 H new ATOM 0 HH21 ARG A 136 7.334 4.276 -14.307 1.00 0.00 H new ATOM 0 HH22 ARG A 136 8.404 2.884 -14.108 1.00 0.00 H new ATOM 1529 N ASN A 137 9.072 9.065 -9.247 1.00 0.00 N ATOM 1530 CA ASN A 137 10.314 9.882 -9.347 1.00 0.00 C ATOM 1531 C ASN A 137 10.864 10.154 -7.945 1.00 0.00 C ATOM 1532 O ASN A 137 10.547 9.460 -6.999 1.00 0.00 O ATOM 1533 CB ASN A 137 9.996 11.212 -10.035 1.00 0.00 C ATOM 1534 CG ASN A 137 9.408 10.942 -11.420 1.00 0.00 C ATOM 1535 OD1 ASN A 137 9.588 9.776 -11.977 1.00 0.00 O flip ATOM 1536 ND2 ASN A 137 8.779 11.802 -12.003 1.00 0.00 N flip ATOM 0 H ASN A 137 8.240 9.487 -9.660 1.00 0.00 H new ATOM 0 HA ASN A 137 11.058 9.338 -9.929 1.00 0.00 H new ATOM 0 HB2 ASN A 137 9.290 11.785 -9.434 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.901 11.813 -10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 137 8.638 12.714 -11.568 1.00 0.00 H new ATOM 0 HD22 ASN A 137 8.392 11.612 -12.927 1.00 0.00 H new ATOM 1543 N SER A 138 11.685 11.159 -7.803 1.00 0.00 N ATOM 1544 CA SER A 138 12.252 11.473 -6.461 1.00 0.00 C ATOM 1545 C SER A 138 12.852 10.199 -5.847 1.00 0.00 C ATOM 1546 O SER A 138 12.287 9.643 -4.927 1.00 0.00 O ATOM 1547 CB SER A 138 11.138 12.000 -5.556 1.00 0.00 C ATOM 1548 OG SER A 138 10.813 13.330 -5.939 1.00 0.00 O ATOM 0 H SER A 138 11.987 11.775 -8.557 1.00 0.00 H new ATOM 0 HA SER A 138 13.032 12.228 -6.560 1.00 0.00 H new ATOM 0 HB2 SER A 138 10.258 11.361 -5.633 1.00 0.00 H new ATOM 0 HB3 SER A 138 11.458 11.977 -4.514 1.00 0.00 H new ATOM 0 HG SER A 138 10.098 13.671 -5.362 1.00 0.00 H new ATOM 1554 N PRO A 139 13.977 9.763 -6.377 1.00 0.00 N ATOM 1555 CA PRO A 139 14.652 8.545 -5.883 1.00 0.00 C ATOM 1556 C PRO A 139 15.289 8.809 -4.501 1.00 0.00 C ATOM 1557 O PRO A 139 16.410 8.418 -4.240 1.00 0.00 O ATOM 1558 CB PRO A 139 15.729 8.239 -6.956 1.00 0.00 C ATOM 1559 CG PRO A 139 15.774 9.453 -7.931 1.00 0.00 C ATOM 1560 CD PRO A 139 14.653 10.429 -7.511 1.00 0.00 C ATOM 0 HA PRO A 139 13.969 7.707 -5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 139 16.702 8.085 -6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 139 15.485 7.323 -7.494 1.00 0.00 H new ATOM 0 HG2 PRO A 139 16.746 9.944 -7.887 1.00 0.00 H new ATOM 0 HG3 PRO A 139 15.630 9.124 -8.960 1.00 0.00 H new ATOM 0 HD2 PRO A 139 15.061 11.396 -7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 139 13.960 10.612 -8.332 1.00 0.00 H new ATOM 1568 N PHE A 140 14.582 9.460 -3.610 1.00 0.00 N ATOM 1569 CA PHE A 140 15.153 9.736 -2.253 1.00 0.00 C ATOM 1570 C PHE A 140 14.048 9.629 -1.194 1.00 0.00 C ATOM 1571 O PHE A 140 14.263 9.911 -0.031 1.00 0.00 O ATOM 1572 CB PHE A 140 15.768 11.145 -2.232 1.00 0.00 C ATOM 1573 CG PHE A 140 14.680 12.195 -2.197 1.00 0.00 C ATOM 1574 CD1 PHE A 140 14.116 12.669 -3.397 1.00 0.00 C ATOM 1575 CD2 PHE A 140 14.232 12.700 -0.961 1.00 0.00 C ATOM 1576 CE1 PHE A 140 13.103 13.647 -3.360 1.00 0.00 C ATOM 1577 CE2 PHE A 140 13.220 13.678 -0.925 1.00 0.00 C ATOM 1578 CZ PHE A 140 12.655 14.152 -2.123 1.00 0.00 C ATOM 0 H PHE A 140 13.637 9.812 -3.762 1.00 0.00 H new ATOM 0 HA PHE A 140 15.929 9.003 -2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 140 16.415 11.253 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 140 16.393 11.289 -3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 140 14.460 12.283 -4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 140 14.665 12.337 -0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 140 12.669 14.010 -4.280 1.00 0.00 H new ATOM 0 HE2 PHE A 140 12.877 14.065 0.023 1.00 0.00 H new ATOM 0 HZ PHE A 140 11.879 14.902 -2.095 1.00 0.00 H new ATOM 1588 N LEU A 141 12.870 9.222 -1.583 1.00 0.00 N ATOM 1589 CA LEU A 141 11.761 9.097 -0.593 1.00 0.00 C ATOM 1590 C LEU A 141 11.899 7.770 0.158 1.00 0.00 C ATOM 1591 O LEU A 141 11.752 7.709 1.361 1.00 0.00 O ATOM 1592 CB LEU A 141 10.411 9.129 -1.316 1.00 0.00 C ATOM 1593 CG LEU A 141 10.355 10.322 -2.276 1.00 0.00 C ATOM 1594 CD1 LEU A 141 9.063 10.251 -3.095 1.00 0.00 C ATOM 1595 CD2 LEU A 141 10.386 11.632 -1.480 1.00 0.00 C ATOM 0 H LEU A 141 12.627 8.971 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 141 11.813 9.928 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 141 10.264 8.201 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 141 9.602 9.199 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 141 11.216 10.290 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 141 9.019 11.098 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 141 9.044 9.322 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 141 8.205 10.282 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.346 12.477 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 141 9.528 11.670 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 141 11.306 11.682 -0.897 1.00 0.00 H new ATOM 1607 N LEU A 142 12.180 6.708 -0.544 1.00 0.00 N ATOM 1608 CA LEU A 142 12.327 5.388 0.127 1.00 0.00 C ATOM 1609 C LEU A 142 13.268 5.525 1.326 1.00 0.00 C ATOM 1610 O LEU A 142 12.958 5.104 2.422 1.00 0.00 O ATOM 1611 CB LEU A 142 12.913 4.381 -0.864 1.00 0.00 C ATOM 1612 CG LEU A 142 12.130 4.427 -2.180 1.00 0.00 C ATOM 1613 CD1 LEU A 142 12.615 3.300 -3.096 1.00 0.00 C ATOM 1614 CD2 LEU A 142 10.630 4.252 -1.902 1.00 0.00 C ATOM 0 H LEU A 142 12.314 6.698 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 142 11.351 5.043 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 142 13.963 4.608 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 142 12.873 3.377 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 142 12.293 5.390 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 142 12.060 3.329 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 142 13.678 3.428 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 142 12.452 2.339 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 142 10.079 4.286 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 142 10.460 3.291 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 142 10.285 5.055 -1.250 1.00 0.00 H new ATOM 1626 N ASP A 143 14.418 6.104 1.121 1.00 0.00 N ATOM 1627 CA ASP A 143 15.386 6.264 2.242 1.00 0.00 C ATOM 1628 C ASP A 143 14.925 7.394 3.170 1.00 0.00 C ATOM 1629 O ASP A 143 15.633 8.356 3.392 1.00 0.00 O ATOM 1630 CB ASP A 143 16.766 6.602 1.677 1.00 0.00 C ATOM 1631 CG ASP A 143 17.824 6.418 2.767 1.00 0.00 C ATOM 1632 OD1 ASP A 143 18.018 7.343 3.539 1.00 0.00 O ATOM 1633 OD2 ASP A 143 18.421 5.356 2.812 1.00 0.00 O ATOM 0 H ASP A 143 14.730 6.474 0.223 1.00 0.00 H new ATOM 0 HA ASP A 143 15.438 5.333 2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 143 16.990 5.958 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 143 16.780 7.629 1.312 1.00 0.00 H new ATOM 1638 N GLN A 144 13.744 7.283 3.719 1.00 0.00 N ATOM 1639 CA GLN A 144 13.243 8.345 4.635 1.00 0.00 C ATOM 1640 C GLN A 144 12.120 7.772 5.502 1.00 0.00 C ATOM 1641 O GLN A 144 11.993 8.096 6.665 1.00 0.00 O ATOM 1642 CB GLN A 144 12.706 9.518 3.814 1.00 0.00 C ATOM 1643 CG GLN A 144 12.196 10.607 4.759 1.00 0.00 C ATOM 1644 CD GLN A 144 11.983 11.904 3.978 1.00 0.00 C ATOM 1645 OE1 GLN A 144 12.146 11.906 2.683 1.00 0.00 O flip ATOM 1646 NE2 GLN A 144 11.667 12.928 4.552 1.00 0.00 N flip ATOM 0 H GLN A 144 13.105 6.501 3.571 1.00 0.00 H new ATOM 0 HA GLN A 144 14.057 8.693 5.271 1.00 0.00 H new ATOM 0 HB2 GLN A 144 13.491 9.917 3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 144 11.901 9.181 3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 144 11.261 10.292 5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 144 12.913 10.769 5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 144 11.540 12.927 5.564 1.00 0.00 H new ATOM 0 HE22 GLN A 144 11.529 13.788 4.022 1.00 0.00 H new ATOM 1655 N ILE A 145 11.307 6.920 4.942 1.00 0.00 N ATOM 1656 CA ILE A 145 10.194 6.320 5.729 1.00 0.00 C ATOM 1657 C ILE A 145 10.745 5.193 6.604 1.00 0.00 C ATOM 1658 O ILE A 145 11.394 4.284 6.126 1.00 0.00 O ATOM 1659 CB ILE A 145 9.137 5.756 4.770 1.00 0.00 C ATOM 1660 CG1 ILE A 145 8.483 6.911 3.979 1.00 0.00 C ATOM 1661 CG2 ILE A 145 8.071 5.004 5.580 1.00 0.00 C ATOM 1662 CD1 ILE A 145 7.951 6.398 2.631 1.00 0.00 C ATOM 0 H ILE A 145 11.366 6.613 3.971 1.00 0.00 H new ATOM 0 HA ILE A 145 9.739 7.083 6.361 1.00 0.00 H new ATOM 0 HB ILE A 145 9.608 5.069 4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 145 7.668 7.343 4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 145 9.211 7.705 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.317 4.601 4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 145 8.540 4.187 6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.598 5.689 6.283 1.00 0.00 H new ATOM 0 HD11 ILE A 145 7.493 7.222 2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 145 8.775 5.988 2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.208 5.620 2.805 1.00 0.00 H new ATOM 1674 N LYS A 146 10.495 5.242 7.887 1.00 0.00 N ATOM 1675 CA LYS A 146 11.006 4.171 8.794 1.00 0.00 C ATOM 1676 C LYS A 146 10.055 4.006 9.983 1.00 0.00 C ATOM 1677 O LYS A 146 9.064 4.699 10.099 1.00 0.00 O ATOM 1678 CB LYS A 146 12.416 4.542 9.287 1.00 0.00 C ATOM 1679 CG LYS A 146 12.356 5.658 10.343 1.00 0.00 C ATOM 1680 CD LYS A 146 11.519 6.831 9.824 1.00 0.00 C ATOM 1681 CE LYS A 146 11.784 8.069 10.684 1.00 0.00 C ATOM 1682 NZ LYS A 146 11.029 9.229 10.132 1.00 0.00 N ATOM 0 H LYS A 146 9.959 5.978 8.346 1.00 0.00 H new ATOM 0 HA LYS A 146 11.058 3.227 8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 146 12.900 3.662 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 146 13.026 4.867 8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 146 11.923 5.273 11.266 1.00 0.00 H new ATOM 0 HG3 LYS A 146 13.364 5.998 10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 146 11.770 7.038 8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 146 10.460 6.576 9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 146 11.481 7.881 11.714 1.00 0.00 H new ATOM 0 HE3 LYS A 146 12.851 8.291 10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 11.209 10.070 10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 11.339 9.412 9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 10.011 9.015 10.137 1.00 0.00 H new ATOM 1696 N ARG A 147 10.350 3.092 10.866 1.00 0.00 N ATOM 1697 CA ARG A 147 9.464 2.881 12.045 1.00 0.00 C ATOM 1698 C ARG A 147 9.583 4.076 12.993 1.00 0.00 C ATOM 1699 O ARG A 147 10.372 4.072 13.916 1.00 0.00 O ATOM 1700 CB ARG A 147 9.886 1.605 12.779 1.00 0.00 C ATOM 1701 CG ARG A 147 8.794 1.203 13.773 1.00 0.00 C ATOM 1702 CD ARG A 147 9.143 -0.148 14.398 1.00 0.00 C ATOM 1703 NE ARG A 147 10.254 0.027 15.375 1.00 0.00 N ATOM 1704 CZ ARG A 147 10.518 -0.915 16.239 1.00 0.00 C ATOM 1705 NH1 ARG A 147 9.808 -2.011 16.247 1.00 0.00 N ATOM 1706 NH2 ARG A 147 11.491 -0.762 17.095 1.00 0.00 N ATOM 0 H ARG A 147 11.166 2.482 10.822 1.00 0.00 H new ATOM 0 HA ARG A 147 8.431 2.784 11.710 1.00 0.00 H new ATOM 0 HB2 ARG A 147 10.055 0.800 12.064 1.00 0.00 H new ATOM 0 HB3 ARG A 147 10.827 1.769 13.303 1.00 0.00 H new ATOM 0 HG2 ARG A 147 8.699 1.961 14.550 1.00 0.00 H new ATOM 0 HG3 ARG A 147 7.831 1.143 13.266 1.00 0.00 H new ATOM 0 HD2 ARG A 147 8.269 -0.566 14.897 1.00 0.00 H new ATOM 0 HD3 ARG A 147 9.436 -0.855 13.622 1.00 0.00 H new ATOM 0 HE ARG A 147 10.808 0.883 15.369 1.00 0.00 H new ATOM 0 HH11 ARG A 147 9.047 -2.131 15.578 1.00 0.00 H new ATOM 0 HH12 ARG A 147 10.014 -2.747 16.922 1.00 0.00 H new ATOM 0 HH21 ARG A 147 12.046 0.094 17.089 1.00 0.00 H new ATOM 0 HH22 ARG A 147 11.697 -1.498 17.770 1.00 0.00 H new ATOM 1720 N LYS A 148 8.800 5.100 12.773 1.00 0.00 N ATOM 1721 CA LYS A 148 8.858 6.295 13.656 1.00 0.00 C ATOM 1722 C LYS A 148 10.319 6.686 13.909 1.00 0.00 C ATOM 1723 O LYS A 148 10.959 6.187 14.812 1.00 0.00 O ATOM 1724 CB LYS A 148 8.158 5.968 14.986 1.00 0.00 C ATOM 1725 CG LYS A 148 7.627 7.258 15.639 1.00 0.00 C ATOM 1726 CD LYS A 148 6.226 7.583 15.104 1.00 0.00 C ATOM 1727 CE LYS A 148 5.863 9.025 15.466 1.00 0.00 C ATOM 1728 NZ LYS A 148 6.178 9.271 16.902 1.00 0.00 N ATOM 0 H LYS A 148 8.120 5.157 12.015 1.00 0.00 H new ATOM 0 HA LYS A 148 8.353 7.133 13.176 1.00 0.00 H new ATOM 0 HB2 LYS A 148 7.335 5.275 14.811 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.856 5.471 15.660 1.00 0.00 H new ATOM 0 HG2 LYS A 148 7.592 7.139 16.722 1.00 0.00 H new ATOM 0 HG3 LYS A 148 8.305 8.086 15.431 1.00 0.00 H new ATOM 0 HD2 LYS A 148 6.198 7.450 14.022 1.00 0.00 H new ATOM 0 HD3 LYS A 148 5.495 6.895 15.528 1.00 0.00 H new ATOM 0 HE2 LYS A 148 6.419 9.720 14.837 1.00 0.00 H new ATOM 0 HE3 LYS A 148 4.804 9.203 15.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 5.668 10.116 17.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 5.885 8.449 17.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 7.201 9.420 17.012 1.00 0.00 H new TER 1742 LYS A 148 END