USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 518 hydrogens (0 hets) HEADER DNA-BINDING PROTEIN 25-JUL-97 2EZH TITLE SOLUTION NMR STRUCTURE OF THE IGAMMA SUBDOMAIN OF THE MU TITLE 2 END DNA BINDING DOMAIN OF MU PHAGE TRANSPOSASE, MINIMIZED TITLE 3 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRANSPOSASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: IGAMMA SUBDOMAIN, RESIDUES 174 - 247; COMPND 5 OTHER_DETAILS: MUA OF PHAGE MU TRANSPOSASE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE MU; SOURCE 3 ORGANISM_TAXID: 10677 KEYWDS DNA-BINDING PROTEIN, TRANSPOSITION EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,R.T.CLUBB,S.SCHUMAKER,A.M.GRONENBORN REVDAT 2 24-FEB-09 2EZH 1 VERSN REVDAT 1 03-DEC-97 2EZH 0 JRNL AUTH R.T.CLUBB,S.SCHUMACHER,K.MIZUUCHI,A.M.GRONENBORN, JRNL AUTH 2 G.M.CLORE JRNL TITL SOLUTION STRUCTURE OF THE I GAMMA SUBDOMAIN OF THE JRNL TITL 2 MU END DNA-BINDING DOMAIN OF PHAGE MU TRANSPOSASE. JRNL REF J.MOL.BIOL. V. 273 19 1997 JRNL REFN ISSN 0022-2836 JRNL PMID 9367742 JRNL DOI 10.1006/JMBI.1997.1312 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR (SEE ABOVE) ABOVE) REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE 3D STRUCTURE OF THE IGAMMA SUBDOMAIN OF MU A REMARK 3 TRANSPOSASE WAS SOLVED BY MULTI-DIMENSIONAL HETERONUCLEAR REMARK 3 NMR AND IS BASED ON 1293 EXPERIMENTAL NMR RESTRAINTS: REMARK 3 264 SEQUENTIAL (|I- J|=1), 282 MEDIUM RANGE (1 < |I-J| <=5) REMARK 3 AND 178 LONG RANGE (|I-J| >5) INTERRESIDUES AND 245 REMARK 3 INTRARESIDUE APPROXIMATE INTERPROTON DISTANCE RESTRAINTS; REMARK 3 40 DISTANCE RESTRAINTS FOR 20 BACKBONE H-BONDS; REMARK 3 108 TORSION ANGLE RESTRAINTS; 47 THREE-BOND HN-HA COUPLING REMARK 3 CONSTANT RESTRAINTS; AND 129 (66 CALPHA AND 63 CBETA) 13C REMARK 3 SHIFT RESTRAINTS. REMARK 3 REMARK 3 THE STRUCTURES WERE CALCULATED USING THE SIMULATED REMARK 3 ANNEALING PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. 229, REMARK 3 129-136 USING THE PROGRAM X-PLOR 3.1 (BRUNGER) MODIFIED TO REMARK 3 INCORPORATE COUPLING CONSTANT (GARRETT ET AL. (1984) J. REMARK 3 MAGN. RESON. SERIES B 104, 99-103) AND CARBON CHEMICAL REMARK 3 SHIFT (KUSZEWSKI ET AL. (1995) J. MAGN. RESON. SERIES B REMARK 3 106, 92-96) RESTRAINTS, AND A CONFORMATIONAL DATABASE REMARK 3 POTENTIAL (KUSZEWSKI ET AL. (1996) PROTEIN SCI. 5, REMARK 3 1067-1080; KUSZEWSKI ET AL. (1997) J. MAGN. RESON 125, REMARK 3 171-177). REMARK 3 REMARK 3 THE RESTRAINED REGULARIZED MEAN STRUCTURE IS PRESENTED IN REMARK 3 ENTRY 2EZH AND 30 STRUCTURES ARE PRESENTED IN ENTRY 2EZI, REMARK 3 AND THE EXPERIMENTAL RESTRAINTS IN 2EZHMR. IN THE REMARK 3 RESTRAINED REGULARIZED MEAN COORDINATES (2EZH) THE LAST REMARK 3 COLUMN REPRESENTS THE AVERAGE RMS DIFFERENCE BETWEEN THE REMARK 3 INDIVIDUAL SIMULATED ANNEALING STRUCTURES AND THE MEAN REMARK 3 COORDINATE POSITIONS. THE LAST COLUMN IN THE INDIVIDUAL SA REMARK 3 STRUCTURES (2EZI) HAS NO MEANING. BEST FITTING TO GENERATE REMARK 3 THE AVERAGE STRUCTURE IS WITH RESPECT TO RESIDUES 180 - REMARK 3 240. NOTE THAT THE OCCUPANCY FIELD HAS NO MEANING. REMARK 4 REMARK 4 2EZH 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) : 303 REMARK 210 PH : 6.3 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : SEE BELOW REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX500, AMX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR (SEE ABOVE) ABOVE) REMARK 210 METHOD USED : SIMULATED ANNEALING 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A 173 REMARK 465 ASN A 174 REMARK 465 VAL A 175 REMARK 465 HIS A 176 REMARK 465 LYS A 177 REMARK 465 GLU A 243 REMARK 465 HIS A 244 REMARK 465 ALA A 245 REMARK 465 LEU A 246 REMARK 465 MET A 247 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 ASP A 181 108.55 -46.42 REMARK 500 LEU A 231 -84.06 -61.99 REMARK 500 ASP A 232 158.77 179.84 REMARK 500 GLU A 241 87.85 -48.41 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 212 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2EZI RELATED DB: PDB DBREF 2EZH A 174 247 UNP P07636 TRA_BPMU 174 247 SEQRES 1 A 75 MET ASN VAL HIS LYS SER GLU PHE ASP GLU ASP ALA TRP SEQRES 2 A 75 GLN PHE LEU ILE ALA ASP TYR LEU ARG PRO GLU LYS PRO SEQRES 3 A 75 ALA PHE ARG LYS CYS TYR GLU ARG LEU GLU LEU ALA ALA SEQRES 4 A 75 ARG GLU HIS GLY TRP SER ILE PRO SER ARG ALA THR ALA SEQRES 5 A 75 PHE ARG ARG ILE GLN GLN LEU ASP GLU ALA MET VAL VAL SEQRES 6 A 75 ALA CYS ARG GLU GLY GLU HIS ALA LEU MET HELIX 1 1 GLU A 182 TYR A 192 1 11 HELIX 2 2 PHE A 200 HIS A 214 1 15 HELIX 3 3 ARG A 221 LEU A 231 1 11 HELIX 4 4 GLU A 233 ARG A 240 1 8 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 Single : A 178 SER OG : rot -57:sc= 1.16! USER MOD Single : A 186 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.26) USER MOD Single : A 192 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 LYS NZ :NH3+ 150:sc= -3.76 (180deg=-5.03!) USER MOD Single : A 202 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 CYS SG : rot 180:sc= -0.687 USER MOD Single : A 204 TYR OH : rot -146:sc= -1.27 USER MOD Single : A 214 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-1.4) USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 220 SER OG : rot 180:sc= 0 USER MOD Single : A 223 THR OG1 : rot 180:sc= 0 USER MOD Single : A 229 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 230 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.3) USER MOD Single : A 235 MET CE :methyl -133:sc= -1.52 (180deg=-3.27!) USER MOD Single : A 239 CYS SG : rot 137:sc= -7.86! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 178 12.891 5.401 7.562 1.00 3.34 N ATOM 2 CA SER A 178 12.305 4.741 6.362 1.00 2.71 C ATOM 3 C SER A 178 12.915 5.348 5.094 1.00 2.16 C ATOM 4 O SER A 178 12.578 6.443 4.692 1.00 2.44 O ATOM 5 CB SER A 178 10.780 4.947 6.359 1.00 3.28 C ATOM 6 OG SER A 178 10.337 5.257 5.043 1.00 3.73 O ATOM 0 HA SER A 178 12.524 3.674 6.388 1.00 2.71 H new ATOM 0 HB2 SER A 178 10.282 4.046 6.717 1.00 3.28 H new ATOM 0 HB3 SER A 178 10.512 5.753 7.042 1.00 3.28 H new ATOM 0 HG SER A 178 10.812 6.049 4.716 1.00 3.73 H new ATOM 12 N GLU A 179 13.799 4.625 4.456 1.00 2.06 N ATOM 13 CA GLU A 179 14.439 5.115 3.192 1.00 2.10 C ATOM 14 C GLU A 179 14.232 4.046 2.132 1.00 1.54 C ATOM 15 O GLU A 179 15.062 3.176 1.977 1.00 2.08 O ATOM 16 CB GLU A 179 15.955 5.290 3.408 1.00 3.13 C ATOM 17 CG GLU A 179 16.263 6.657 4.025 1.00 3.85 C ATOM 18 CD GLU A 179 15.916 6.640 5.513 1.00 4.74 C ATOM 19 OE1 GLU A 179 16.689 6.082 6.274 1.00 5.20 O ATOM 20 OE2 GLU A 179 14.887 7.190 5.866 1.00 5.30 O ATOM 0 H GLU A 179 14.111 3.702 4.760 1.00 2.06 H new ATOM 0 HA GLU A 179 14.002 6.068 2.895 1.00 2.10 H new ATOM 0 HB2 GLU A 179 16.327 4.500 4.060 1.00 3.13 H new ATOM 0 HB3 GLU A 179 16.476 5.190 2.456 1.00 3.13 H new ATOM 0 HG2 GLU A 179 17.317 6.898 3.890 1.00 3.85 H new ATOM 0 HG3 GLU A 179 15.691 7.433 3.517 1.00 3.85 H new ATOM 27 N PHE A 180 13.141 4.075 1.411 1.00 1.23 N ATOM 28 CA PHE A 180 12.925 3.006 0.392 1.00 1.42 C ATOM 29 C PHE A 180 12.274 3.543 -0.866 1.00 1.00 C ATOM 30 O PHE A 180 11.756 4.641 -0.922 1.00 1.28 O ATOM 31 CB PHE A 180 12.073 1.906 1.011 1.00 2.36 C ATOM 32 CG PHE A 180 12.793 1.433 2.249 1.00 2.89 C ATOM 33 CD1 PHE A 180 14.043 0.809 2.132 1.00 3.54 C ATOM 34 CD2 PHE A 180 12.241 1.659 3.514 1.00 3.03 C ATOM 35 CE1 PHE A 180 14.736 0.409 3.278 1.00 4.10 C ATOM 36 CE2 PHE A 180 12.937 1.264 4.661 1.00 3.50 C ATOM 37 CZ PHE A 180 14.185 0.639 4.543 1.00 3.97 C ATOM 0 H PHE A 180 12.404 4.777 1.481 1.00 1.23 H new ATOM 0 HA PHE A 180 13.894 2.606 0.095 1.00 1.42 H new ATOM 0 HB2 PHE A 180 11.081 2.282 1.262 1.00 2.36 H new ATOM 0 HB3 PHE A 180 11.934 1.084 0.308 1.00 2.36 H new ATOM 0 HD1 PHE A 180 14.471 0.637 1.155 1.00 3.54 H new ATOM 0 HD2 PHE A 180 11.278 2.138 3.605 1.00 3.03 H new ATOM 0 HE1 PHE A 180 15.696 -0.077 3.187 1.00 4.10 H new ATOM 0 HE2 PHE A 180 12.512 1.441 5.638 1.00 3.50 H new ATOM 0 HZ PHE A 180 14.722 0.335 5.429 1.00 3.97 H new ATOM 47 N ASP A 181 12.347 2.750 -1.885 1.00 0.62 N ATOM 48 CA ASP A 181 11.801 3.133 -3.201 1.00 0.67 C ATOM 49 C ASP A 181 10.403 3.723 -3.063 1.00 0.49 C ATOM 50 O ASP A 181 9.436 3.029 -2.814 1.00 0.46 O ATOM 51 CB ASP A 181 11.746 1.867 -4.041 1.00 1.07 C ATOM 52 CG ASP A 181 13.117 1.195 -3.979 1.00 1.34 C ATOM 53 OD1 ASP A 181 13.980 1.577 -4.752 1.00 1.79 O ATOM 54 OD2 ASP A 181 13.285 0.318 -3.147 1.00 1.76 O ATOM 0 H ASP A 181 12.776 1.825 -1.858 1.00 0.62 H new ATOM 0 HA ASP A 181 12.430 3.893 -3.665 1.00 0.67 H new ATOM 0 HB2 ASP A 181 10.975 1.194 -3.665 1.00 1.07 H new ATOM 0 HB3 ASP A 181 11.486 2.106 -5.072 1.00 1.07 H new ATOM 59 N GLU A 182 10.293 5.006 -3.266 1.00 0.50 N ATOM 60 CA GLU A 182 8.966 5.664 -3.193 1.00 0.49 C ATOM 61 C GLU A 182 8.076 4.979 -4.219 1.00 0.44 C ATOM 62 O GLU A 182 6.881 4.842 -4.050 1.00 0.45 O ATOM 63 CB GLU A 182 9.113 7.140 -3.565 1.00 0.64 C ATOM 64 CG GLU A 182 10.040 7.839 -2.570 1.00 1.52 C ATOM 65 CD GLU A 182 10.200 9.306 -2.975 1.00 1.90 C ATOM 66 OE1 GLU A 182 9.192 9.986 -3.074 1.00 2.41 O ATOM 67 OE2 GLU A 182 11.327 9.721 -3.188 1.00 2.35 O ATOM 0 H GLU A 182 11.072 5.628 -3.480 1.00 0.50 H new ATOM 0 HA GLU A 182 8.545 5.590 -2.190 1.00 0.49 H new ATOM 0 HB2 GLU A 182 9.514 7.231 -4.574 1.00 0.64 H new ATOM 0 HB3 GLU A 182 8.136 7.623 -3.565 1.00 0.64 H new ATOM 0 HG2 GLU A 182 9.630 7.770 -1.563 1.00 1.52 H new ATOM 0 HG3 GLU A 182 11.012 7.346 -2.553 1.00 1.52 H new ATOM 74 N ASP A 183 8.679 4.552 -5.291 1.00 0.44 N ATOM 75 CA ASP A 183 7.924 3.869 -6.369 1.00 0.44 C ATOM 76 C ASP A 183 7.260 2.611 -5.807 1.00 0.36 C ATOM 77 O ASP A 183 6.135 2.294 -6.138 1.00 0.40 O ATOM 78 CB ASP A 183 8.906 3.482 -7.478 1.00 0.48 C ATOM 79 CG ASP A 183 9.420 4.750 -8.164 1.00 0.58 C ATOM 80 OD1 ASP A 183 8.598 5.553 -8.575 1.00 1.14 O ATOM 81 OD2 ASP A 183 10.627 4.896 -8.268 1.00 1.28 O ATOM 0 H ASP A 183 9.679 4.650 -5.466 1.00 0.44 H new ATOM 0 HA ASP A 183 7.154 4.530 -6.767 1.00 0.44 H new ATOM 0 HB2 ASP A 183 9.740 2.917 -7.061 1.00 0.48 H new ATOM 0 HB3 ASP A 183 8.415 2.835 -8.205 1.00 0.48 H new ATOM 86 N ALA A 184 7.942 1.889 -4.958 1.00 0.30 N ATOM 87 CA ALA A 184 7.332 0.656 -4.384 1.00 0.28 C ATOM 88 C ALA A 184 6.279 1.040 -3.341 1.00 0.25 C ATOM 89 O ALA A 184 5.192 0.498 -3.320 1.00 0.27 O ATOM 90 CB ALA A 184 8.418 -0.196 -3.726 1.00 0.31 C ATOM 0 H ALA A 184 8.888 2.098 -4.639 1.00 0.30 H new ATOM 0 HA ALA A 184 6.858 0.084 -5.182 1.00 0.28 H new ATOM 0 HB1 ALA A 184 7.970 -1.097 -3.307 1.00 0.31 H new ATOM 0 HB2 ALA A 184 9.163 -0.474 -4.471 1.00 0.31 H new ATOM 0 HB3 ALA A 184 8.896 0.375 -2.930 1.00 0.31 H new ATOM 96 N TRP A 185 6.585 1.971 -2.477 1.00 0.24 N ATOM 97 CA TRP A 185 5.587 2.376 -1.450 1.00 0.24 C ATOM 98 C TRP A 185 4.337 2.900 -2.158 1.00 0.26 C ATOM 99 O TRP A 185 3.226 2.521 -1.848 1.00 0.28 O ATOM 100 CB TRP A 185 6.174 3.472 -0.559 1.00 0.26 C ATOM 101 CG TRP A 185 5.162 3.864 0.468 1.00 0.28 C ATOM 102 CD1 TRP A 185 4.576 5.079 0.557 1.00 0.32 C ATOM 103 CD2 TRP A 185 4.608 3.060 1.549 1.00 0.31 C ATOM 104 NE1 TRP A 185 3.695 5.073 1.625 1.00 0.37 N ATOM 105 CE2 TRP A 185 3.680 3.850 2.268 1.00 0.37 C ATOM 106 CE3 TRP A 185 4.818 1.735 1.972 1.00 0.33 C ATOM 107 CZ2 TRP A 185 2.985 3.342 3.368 1.00 0.44 C ATOM 108 CZ3 TRP A 185 4.121 1.221 3.077 1.00 0.42 C ATOM 109 CH2 TRP A 185 3.206 2.023 3.773 1.00 0.47 C ATOM 0 H TRP A 185 7.477 2.464 -2.439 1.00 0.24 H new ATOM 0 HA TRP A 185 5.329 1.519 -0.828 1.00 0.24 H new ATOM 0 HB2 TRP A 185 7.083 3.115 -0.074 1.00 0.26 H new ATOM 0 HB3 TRP A 185 6.452 4.337 -1.161 1.00 0.26 H new ATOM 0 HD1 TRP A 185 4.764 5.917 -0.098 1.00 0.32 H new ATOM 0 HE1 TRP A 185 3.127 5.873 1.903 1.00 0.37 H new ATOM 0 HE3 TRP A 185 5.521 1.108 1.443 1.00 0.33 H new ATOM 0 HZ2 TRP A 185 2.282 3.964 3.902 1.00 0.44 H new ATOM 0 HZ3 TRP A 185 4.291 0.202 3.392 1.00 0.42 H new ATOM 0 HH2 TRP A 185 2.672 1.622 4.622 1.00 0.47 H new ATOM 120 N GLN A 186 4.520 3.762 -3.120 1.00 0.29 N ATOM 121 CA GLN A 186 3.359 4.311 -3.873 1.00 0.33 C ATOM 122 C GLN A 186 2.611 3.160 -4.547 1.00 0.30 C ATOM 123 O GLN A 186 1.398 3.141 -4.608 1.00 0.31 O ATOM 124 CB GLN A 186 3.857 5.290 -4.940 1.00 0.41 C ATOM 125 CG GLN A 186 4.393 6.555 -4.265 1.00 0.48 C ATOM 126 CD GLN A 186 3.237 7.333 -3.635 1.00 0.81 C ATOM 127 OE1 GLN A 186 2.308 7.722 -4.315 1.00 1.54 O ATOM 128 NE2 GLN A 186 3.257 7.579 -2.354 1.00 1.07 N ATOM 0 H GLN A 186 5.431 4.111 -3.418 1.00 0.29 H new ATOM 0 HA GLN A 186 2.691 4.834 -3.188 1.00 0.33 H new ATOM 0 HB2 GLN A 186 4.641 4.825 -5.538 1.00 0.41 H new ATOM 0 HB3 GLN A 186 3.045 5.545 -5.621 1.00 0.41 H new ATOM 0 HG2 GLN A 186 5.124 6.289 -3.501 1.00 0.48 H new ATOM 0 HG3 GLN A 186 4.908 7.178 -4.996 1.00 0.48 H new ATOM 0 HE21 GLN A 186 4.037 7.252 -1.784 1.00 1.07 H new ATOM 0 HE22 GLN A 186 2.492 8.098 -1.922 1.00 1.07 H new ATOM 137 N PHE A 187 3.336 2.208 -5.068 1.00 0.29 N ATOM 138 CA PHE A 187 2.688 1.059 -5.759 1.00 0.30 C ATOM 139 C PHE A 187 1.773 0.328 -4.773 1.00 0.28 C ATOM 140 O PHE A 187 0.626 0.050 -5.063 1.00 0.30 O ATOM 141 CB PHE A 187 3.780 0.100 -6.245 1.00 0.34 C ATOM 142 CG PHE A 187 3.186 -0.945 -7.161 1.00 0.34 C ATOM 143 CD1 PHE A 187 2.454 -2.014 -6.630 1.00 0.38 C ATOM 144 CD2 PHE A 187 3.368 -0.841 -8.547 1.00 0.45 C ATOM 145 CE1 PHE A 187 1.905 -2.978 -7.484 1.00 0.40 C ATOM 146 CE2 PHE A 187 2.819 -1.806 -9.399 1.00 0.49 C ATOM 147 CZ PHE A 187 2.087 -2.874 -8.868 1.00 0.41 C ATOM 0 H PHE A 187 4.355 2.177 -5.044 1.00 0.29 H new ATOM 0 HA PHE A 187 2.100 1.414 -6.605 1.00 0.30 H new ATOM 0 HB2 PHE A 187 4.556 0.657 -6.771 1.00 0.34 H new ATOM 0 HB3 PHE A 187 4.257 -0.382 -5.392 1.00 0.34 H new ATOM 0 HD1 PHE A 187 2.313 -2.095 -5.562 1.00 0.38 H new ATOM 0 HD2 PHE A 187 3.932 -0.016 -8.957 1.00 0.45 H new ATOM 0 HE1 PHE A 187 1.341 -3.803 -7.075 1.00 0.40 H new ATOM 0 HE2 PHE A 187 2.960 -1.726 -10.467 1.00 0.49 H new ATOM 0 HZ PHE A 187 1.663 -3.618 -9.526 1.00 0.41 H new ATOM 157 N LEU A 188 2.269 0.023 -3.607 1.00 0.27 N ATOM 158 CA LEU A 188 1.430 -0.680 -2.593 1.00 0.30 C ATOM 159 C LEU A 188 0.208 0.185 -2.262 1.00 0.30 C ATOM 160 O LEU A 188 -0.909 -0.289 -2.219 1.00 0.34 O ATOM 161 CB LEU A 188 2.275 -0.913 -1.326 1.00 0.31 C ATOM 162 CG LEU A 188 1.438 -1.552 -0.195 1.00 0.37 C ATOM 163 CD1 LEU A 188 0.961 -2.950 -0.620 1.00 0.44 C ATOM 164 CD2 LEU A 188 2.287 -1.654 1.103 1.00 0.39 C ATOM 0 H LEU A 188 3.223 0.230 -3.310 1.00 0.27 H new ATOM 0 HA LEU A 188 1.089 -1.639 -2.982 1.00 0.30 H new ATOM 0 HB2 LEU A 188 3.119 -1.560 -1.565 1.00 0.31 H new ATOM 0 HB3 LEU A 188 2.687 0.036 -0.983 1.00 0.31 H new ATOM 0 HG LEU A 188 0.569 -0.924 -0.001 1.00 0.37 H new ATOM 0 HD11 LEU A 188 0.372 -3.393 0.183 1.00 0.44 H new ATOM 0 HD12 LEU A 188 0.348 -2.868 -1.517 1.00 0.44 H new ATOM 0 HD13 LEU A 188 1.825 -3.582 -0.827 1.00 0.44 H new ATOM 0 HD21 LEU A 188 1.689 -2.105 1.894 1.00 0.39 H new ATOM 0 HD22 LEU A 188 3.166 -2.271 0.915 1.00 0.39 H new ATOM 0 HD23 LEU A 188 2.603 -0.657 1.411 1.00 0.39 H new ATOM 176 N ILE A 189 0.419 1.449 -2.019 1.00 0.29 N ATOM 177 CA ILE A 189 -0.718 2.353 -1.678 1.00 0.32 C ATOM 178 C ILE A 189 -1.712 2.424 -2.843 1.00 0.30 C ATOM 179 O ILE A 189 -2.910 2.451 -2.643 1.00 0.32 O ATOM 180 CB ILE A 189 -0.174 3.761 -1.384 1.00 0.36 C ATOM 181 CG1 ILE A 189 0.802 3.711 -0.183 1.00 0.48 C ATOM 182 CG2 ILE A 189 -1.339 4.734 -1.101 1.00 0.40 C ATOM 183 CD1 ILE A 189 0.054 3.679 1.162 1.00 0.65 C ATOM 0 H ILE A 189 1.335 1.898 -2.042 1.00 0.29 H new ATOM 0 HA ILE A 189 -1.232 1.961 -0.801 1.00 0.32 H new ATOM 0 HB ILE A 189 0.369 4.122 -2.257 1.00 0.36 H new ATOM 0 HG12 ILE A 189 1.436 2.829 -0.267 1.00 0.48 H new ATOM 0 HG13 ILE A 189 1.459 4.580 -0.213 1.00 0.48 H new ATOM 0 HG21 ILE A 189 -0.941 5.728 -0.894 1.00 0.40 H new ATOM 0 HG22 ILE A 189 -1.995 4.779 -1.971 1.00 0.40 H new ATOM 0 HG23 ILE A 189 -1.905 4.383 -0.238 1.00 0.40 H new ATOM 0 HD11 ILE A 189 0.775 3.644 1.979 1.00 0.65 H new ATOM 0 HD12 ILE A 189 -0.560 4.574 1.258 1.00 0.65 H new ATOM 0 HD13 ILE A 189 -0.583 2.796 1.203 1.00 0.65 H new ATOM 195 N ALA A 190 -1.232 2.472 -4.055 1.00 0.28 N ATOM 196 CA ALA A 190 -2.163 2.561 -5.218 1.00 0.29 C ATOM 197 C ALA A 190 -3.078 1.329 -5.249 1.00 0.31 C ATOM 198 O ALA A 190 -4.256 1.430 -5.530 1.00 0.33 O ATOM 199 CB ALA A 190 -1.346 2.652 -6.519 1.00 0.31 C ATOM 0 H ALA A 190 -0.240 2.454 -4.291 1.00 0.28 H new ATOM 0 HA ALA A 190 -2.783 3.452 -5.122 1.00 0.29 H new ATOM 0 HB1 ALA A 190 -2.024 2.717 -7.370 1.00 0.31 H new ATOM 0 HB2 ALA A 190 -0.713 3.539 -6.490 1.00 0.31 H new ATOM 0 HB3 ALA A 190 -0.722 1.764 -6.619 1.00 0.31 H new ATOM 205 N ASP A 191 -2.552 0.170 -4.959 1.00 0.33 N ATOM 206 CA ASP A 191 -3.406 -1.052 -4.972 1.00 0.39 C ATOM 207 C ASP A 191 -4.344 -1.017 -3.761 1.00 0.38 C ATOM 208 O ASP A 191 -5.501 -1.379 -3.847 1.00 0.40 O ATOM 209 CB ASP A 191 -2.501 -2.309 -4.910 1.00 0.44 C ATOM 210 CG ASP A 191 -2.393 -2.965 -6.294 1.00 1.15 C ATOM 211 OD1 ASP A 191 -1.493 -2.603 -7.033 1.00 1.94 O ATOM 212 OD2 ASP A 191 -3.213 -3.821 -6.585 1.00 1.82 O ATOM 0 H ASP A 191 -1.574 0.017 -4.715 1.00 0.33 H new ATOM 0 HA ASP A 191 -3.999 -1.086 -5.886 1.00 0.39 H new ATOM 0 HB2 ASP A 191 -1.509 -2.032 -4.554 1.00 0.44 H new ATOM 0 HB3 ASP A 191 -2.909 -3.023 -4.194 1.00 0.44 H new ATOM 217 N TYR A 192 -3.848 -0.596 -2.633 1.00 0.35 N ATOM 218 CA TYR A 192 -4.701 -0.551 -1.415 1.00 0.35 C ATOM 219 C TYR A 192 -5.879 0.409 -1.614 1.00 0.34 C ATOM 220 O TYR A 192 -6.934 0.206 -1.060 1.00 0.36 O ATOM 221 CB TYR A 192 -3.877 -0.097 -0.209 1.00 0.35 C ATOM 222 CG TYR A 192 -4.667 -0.371 1.049 1.00 0.36 C ATOM 223 CD1 TYR A 192 -5.641 0.537 1.481 1.00 0.40 C ATOM 224 CD2 TYR A 192 -4.436 -1.547 1.773 1.00 0.48 C ATOM 225 CE1 TYR A 192 -6.381 0.269 2.640 1.00 0.44 C ATOM 226 CE2 TYR A 192 -5.177 -1.815 2.930 1.00 0.54 C ATOM 227 CZ TYR A 192 -6.149 -0.906 3.363 1.00 0.48 C ATOM 228 OH TYR A 192 -6.881 -1.170 4.503 1.00 0.57 O ATOM 0 H TYR A 192 -2.887 -0.281 -2.502 1.00 0.35 H new ATOM 0 HA TYR A 192 -5.087 -1.554 -1.235 1.00 0.35 H new ATOM 0 HB2 TYR A 192 -2.925 -0.628 -0.180 1.00 0.35 H new ATOM 0 HB3 TYR A 192 -3.647 0.966 -0.287 1.00 0.35 H new ATOM 0 HD1 TYR A 192 -5.822 1.443 0.922 1.00 0.40 H new ATOM 0 HD2 TYR A 192 -3.685 -2.248 1.439 1.00 0.48 H new ATOM 0 HE1 TYR A 192 -7.131 0.970 2.976 1.00 0.44 H new ATOM 0 HE2 TYR A 192 -4.999 -2.722 3.488 1.00 0.54 H new ATOM 0 HH TYR A 192 -6.596 -2.027 4.884 1.00 0.57 H new ATOM 238 N LEU A 193 -5.698 1.469 -2.363 1.00 0.33 N ATOM 239 CA LEU A 193 -6.811 2.458 -2.556 1.00 0.36 C ATOM 240 C LEU A 193 -7.770 2.003 -3.668 1.00 0.42 C ATOM 241 O LEU A 193 -8.721 2.689 -3.988 1.00 0.44 O ATOM 242 CB LEU A 193 -6.224 3.822 -2.940 1.00 0.36 C ATOM 243 CG LEU A 193 -5.393 4.392 -1.777 1.00 0.33 C ATOM 244 CD1 LEU A 193 -4.722 5.706 -2.219 1.00 0.40 C ATOM 245 CD2 LEU A 193 -6.299 4.650 -0.550 1.00 0.34 C ATOM 0 H LEU A 193 -4.830 1.694 -2.849 1.00 0.33 H new ATOM 0 HA LEU A 193 -7.365 2.530 -1.620 1.00 0.36 H new ATOM 0 HB2 LEU A 193 -5.599 3.720 -3.827 1.00 0.36 H new ATOM 0 HB3 LEU A 193 -7.028 4.513 -3.195 1.00 0.36 H new ATOM 0 HG LEU A 193 -4.625 3.670 -1.499 1.00 0.33 H new ATOM 0 HD11 LEU A 193 -4.134 6.109 -1.395 1.00 0.40 H new ATOM 0 HD12 LEU A 193 -4.069 5.513 -3.070 1.00 0.40 H new ATOM 0 HD13 LEU A 193 -5.488 6.427 -2.505 1.00 0.40 H new ATOM 0 HD21 LEU A 193 -5.700 5.053 0.266 1.00 0.34 H new ATOM 0 HD22 LEU A 193 -7.077 5.365 -0.816 1.00 0.34 H new ATOM 0 HD23 LEU A 193 -6.759 3.714 -0.234 1.00 0.34 H new ATOM 257 N ARG A 194 -7.533 0.870 -4.265 1.00 0.51 N ATOM 258 CA ARG A 194 -8.437 0.395 -5.362 1.00 0.59 C ATOM 259 C ARG A 194 -9.692 -0.293 -4.795 1.00 0.49 C ATOM 260 O ARG A 194 -9.624 -0.967 -3.789 1.00 0.51 O ATOM 261 CB ARG A 194 -7.672 -0.614 -6.215 1.00 0.76 C ATOM 262 CG ARG A 194 -6.663 0.121 -7.120 1.00 0.93 C ATOM 263 CD ARG A 194 -7.252 0.335 -8.524 1.00 1.49 C ATOM 264 NE ARG A 194 -6.319 1.074 -9.418 1.00 1.99 N ATOM 265 CZ ARG A 194 -5.566 0.469 -10.233 1.00 2.40 C ATOM 266 NH1 ARG A 194 -5.413 -0.822 -10.118 1.00 2.68 N ATOM 267 NH2 ARG A 194 -4.898 1.132 -11.133 1.00 3.14 N ATOM 0 H ARG A 194 -6.755 0.249 -4.045 1.00 0.51 H new ATOM 0 HA ARG A 194 -8.752 1.256 -5.952 1.00 0.59 H new ATOM 0 HB2 ARG A 194 -7.149 -1.323 -5.573 1.00 0.76 H new ATOM 0 HB3 ARG A 194 -8.368 -1.190 -6.825 1.00 0.76 H new ATOM 0 HG2 ARG A 194 -6.403 1.083 -6.678 1.00 0.93 H new ATOM 0 HG3 ARG A 194 -5.741 -0.457 -7.190 1.00 0.93 H new ATOM 0 HD2 ARG A 194 -7.489 -0.632 -8.968 1.00 1.49 H new ATOM 0 HD3 ARG A 194 -8.189 0.887 -8.443 1.00 1.49 H new ATOM 0 HE ARG A 194 -6.287 2.092 -9.372 1.00 1.99 H new ATOM 0 HH11 ARG A 194 -5.898 -1.329 -9.378 1.00 2.68 H new ATOM 0 HH12 ARG A 194 -4.808 -1.324 -10.768 1.00 2.68 H new ATOM 0 HH21 ARG A 194 -4.980 2.147 -11.184 1.00 3.14 H new ATOM 0 HH22 ARG A 194 -4.292 0.636 -11.787 1.00 3.14 H new ATOM 281 N PRO A 195 -10.825 -0.172 -5.457 1.00 0.49 N ATOM 282 CA PRO A 195 -12.068 -0.842 -4.992 1.00 0.48 C ATOM 283 C PRO A 195 -11.873 -2.365 -4.933 1.00 0.60 C ATOM 284 O PRO A 195 -12.590 -3.064 -4.244 1.00 0.81 O ATOM 285 CB PRO A 195 -13.156 -0.441 -6.014 1.00 0.56 C ATOM 286 CG PRO A 195 -12.441 0.206 -7.172 1.00 0.73 C ATOM 287 CD PRO A 195 -11.035 0.600 -6.693 1.00 0.59 C ATOM 0 HA PRO A 195 -12.347 -0.539 -3.983 1.00 0.48 H new ATOM 0 HB2 PRO A 195 -13.718 -1.315 -6.345 1.00 0.56 H new ATOM 0 HB3 PRO A 195 -13.872 0.248 -5.567 1.00 0.56 H new ATOM 0 HG2 PRO A 195 -12.379 -0.482 -8.015 1.00 0.73 H new ATOM 0 HG3 PRO A 195 -12.988 1.084 -7.516 1.00 0.73 H new ATOM 0 HD2 PRO A 195 -10.281 0.359 -7.442 1.00 0.59 H new ATOM 0 HD3 PRO A 195 -10.967 1.672 -6.506 1.00 0.59 H new ATOM 295 N GLU A 196 -10.883 -2.879 -5.624 1.00 0.63 N ATOM 296 CA GLU A 196 -10.629 -4.348 -5.566 1.00 0.77 C ATOM 297 C GLU A 196 -10.311 -4.683 -4.116 1.00 0.63 C ATOM 298 O GLU A 196 -10.912 -5.546 -3.508 1.00 0.86 O ATOM 299 CB GLU A 196 -9.411 -4.694 -6.438 1.00 0.93 C ATOM 300 CG GLU A 196 -9.802 -4.770 -7.940 1.00 1.55 C ATOM 301 CD GLU A 196 -9.803 -6.229 -8.422 1.00 2.01 C ATOM 302 OE1 GLU A 196 -8.894 -6.955 -8.053 1.00 2.39 O ATOM 303 OE2 GLU A 196 -10.706 -6.588 -9.158 1.00 2.75 O ATOM 0 H GLU A 196 -10.247 -2.348 -6.219 1.00 0.63 H new ATOM 0 HA GLU A 196 -11.492 -4.908 -5.926 1.00 0.77 H new ATOM 0 HB2 GLU A 196 -8.635 -3.942 -6.299 1.00 0.93 H new ATOM 0 HB3 GLU A 196 -8.991 -5.648 -6.120 1.00 0.93 H new ATOM 0 HG2 GLU A 196 -10.789 -4.331 -8.088 1.00 1.55 H new ATOM 0 HG3 GLU A 196 -9.101 -4.185 -8.535 1.00 1.55 H new ATOM 310 N LYS A 197 -9.399 -3.950 -3.547 1.00 0.48 N ATOM 311 CA LYS A 197 -9.057 -4.155 -2.120 1.00 0.70 C ATOM 312 C LYS A 197 -8.656 -5.618 -1.855 1.00 0.60 C ATOM 313 O LYS A 197 -9.305 -6.322 -1.106 1.00 0.90 O ATOM 314 CB LYS A 197 -10.301 -3.767 -1.298 1.00 1.15 C ATOM 315 CG LYS A 197 -9.895 -3.041 -0.018 1.00 1.79 C ATOM 316 CD LYS A 197 -11.149 -2.791 0.821 1.00 2.24 C ATOM 317 CE LYS A 197 -11.710 -4.119 1.369 1.00 2.99 C ATOM 318 NZ LYS A 197 -12.157 -3.904 2.771 1.00 3.83 N ATOM 0 H LYS A 197 -8.873 -3.212 -4.015 1.00 0.48 H new ATOM 0 HA LYS A 197 -8.203 -3.540 -1.837 1.00 0.70 H new ATOM 0 HB2 LYS A 197 -10.952 -3.128 -1.894 1.00 1.15 H new ATOM 0 HB3 LYS A 197 -10.873 -4.661 -1.050 1.00 1.15 H new ATOM 0 HG2 LYS A 197 -9.177 -3.638 0.544 1.00 1.79 H new ATOM 0 HG3 LYS A 197 -9.406 -2.097 -0.258 1.00 1.79 H new ATOM 0 HD2 LYS A 197 -10.912 -2.121 1.648 1.00 2.24 H new ATOM 0 HD3 LYS A 197 -11.906 -2.293 0.214 1.00 2.24 H new ATOM 0 HE2 LYS A 197 -12.543 -4.460 0.754 1.00 2.99 H new ATOM 0 HE3 LYS A 197 -10.947 -4.896 1.330 1.00 2.99 H new ATOM 0 HZ1 LYS A 197 -12.948 -4.545 2.985 1.00 3.83 H new ATOM 0 HZ2 LYS A 197 -11.368 -4.098 3.420 1.00 3.83 H new ATOM 0 HZ3 LYS A 197 -12.468 -2.919 2.889 1.00 3.83 H new ATOM 332 N PRO A 198 -7.584 -6.071 -2.449 1.00 0.49 N ATOM 333 CA PRO A 198 -7.107 -7.465 -2.242 1.00 0.63 C ATOM 334 C PRO A 198 -6.650 -7.673 -0.793 1.00 0.53 C ATOM 335 O PRO A 198 -6.508 -6.729 -0.040 1.00 0.49 O ATOM 336 CB PRO A 198 -5.938 -7.635 -3.235 1.00 0.90 C ATOM 337 CG PRO A 198 -5.548 -6.249 -3.680 1.00 1.10 C ATOM 338 CD PRO A 198 -6.725 -5.308 -3.368 1.00 0.75 C ATOM 0 HA PRO A 198 -7.891 -8.202 -2.415 1.00 0.63 H new ATOM 0 HB2 PRO A 198 -5.097 -8.141 -2.761 1.00 0.90 H new ATOM 0 HB3 PRO A 198 -6.238 -8.246 -4.087 1.00 0.90 H new ATOM 0 HG2 PRO A 198 -4.648 -5.920 -3.161 1.00 1.10 H new ATOM 0 HG3 PRO A 198 -5.323 -6.239 -4.746 1.00 1.10 H new ATOM 0 HD2 PRO A 198 -6.380 -4.382 -2.909 1.00 0.75 H new ATOM 0 HD3 PRO A 198 -7.263 -5.033 -4.275 1.00 0.75 H new ATOM 346 N ALA A 199 -6.417 -8.891 -0.392 1.00 0.54 N ATOM 347 CA ALA A 199 -5.972 -9.123 1.008 1.00 0.49 C ATOM 348 C ALA A 199 -4.602 -8.463 1.188 1.00 0.40 C ATOM 349 O ALA A 199 -3.764 -8.492 0.309 1.00 0.36 O ATOM 350 CB ALA A 199 -5.898 -10.638 1.284 1.00 0.57 C ATOM 0 H ALA A 199 -6.514 -9.728 -0.967 1.00 0.54 H new ATOM 0 HA ALA A 199 -6.678 -8.689 1.716 1.00 0.49 H new ATOM 0 HB1 ALA A 199 -5.572 -10.805 2.310 1.00 0.57 H new ATOM 0 HB2 ALA A 199 -6.883 -11.083 1.139 1.00 0.57 H new ATOM 0 HB3 ALA A 199 -5.187 -11.099 0.598 1.00 0.57 H new ATOM 356 N PHE A 200 -4.383 -7.846 2.313 1.00 0.41 N ATOM 357 CA PHE A 200 -3.087 -7.153 2.550 1.00 0.36 C ATOM 358 C PHE A 200 -1.923 -8.146 2.466 1.00 0.34 C ATOM 359 O PHE A 200 -0.904 -7.873 1.863 1.00 0.35 O ATOM 360 CB PHE A 200 -3.121 -6.521 3.942 1.00 0.44 C ATOM 361 CG PHE A 200 -1.789 -5.879 4.233 1.00 0.46 C ATOM 362 CD1 PHE A 200 -1.430 -4.697 3.579 1.00 0.53 C ATOM 363 CD2 PHE A 200 -0.914 -6.466 5.155 1.00 0.58 C ATOM 364 CE1 PHE A 200 -0.195 -4.100 3.845 1.00 0.61 C ATOM 365 CE2 PHE A 200 0.320 -5.869 5.422 1.00 0.66 C ATOM 366 CZ PHE A 200 0.679 -4.687 4.767 1.00 0.63 C ATOM 0 H PHE A 200 -5.049 -7.791 3.083 1.00 0.41 H new ATOM 0 HA PHE A 200 -2.941 -6.387 1.788 1.00 0.36 H new ATOM 0 HB2 PHE A 200 -3.915 -5.777 3.996 1.00 0.44 H new ATOM 0 HB3 PHE A 200 -3.343 -7.280 4.693 1.00 0.44 H new ATOM 0 HD1 PHE A 200 -2.107 -4.245 2.869 1.00 0.53 H new ATOM 0 HD2 PHE A 200 -1.193 -7.379 5.659 1.00 0.58 H new ATOM 0 HE1 PHE A 200 0.085 -3.187 3.340 1.00 0.61 H new ATOM 0 HE2 PHE A 200 0.996 -6.320 6.133 1.00 0.66 H new ATOM 0 HZ PHE A 200 1.634 -4.226 4.973 1.00 0.63 H new ATOM 376 N ARG A 201 -2.064 -9.287 3.072 1.00 0.40 N ATOM 377 CA ARG A 201 -0.970 -10.299 3.043 1.00 0.47 C ATOM 378 C ARG A 201 -0.701 -10.743 1.601 1.00 0.43 C ATOM 379 O ARG A 201 0.431 -10.922 1.196 1.00 0.49 O ATOM 380 CB ARG A 201 -1.409 -11.491 3.889 1.00 0.60 C ATOM 381 CG ARG A 201 -1.545 -11.039 5.349 1.00 1.37 C ATOM 382 CD ARG A 201 -2.452 -12.001 6.115 1.00 1.62 C ATOM 383 NE ARG A 201 -1.946 -13.393 5.989 1.00 2.39 N ATOM 384 CZ ARG A 201 -2.326 -14.299 6.849 1.00 2.92 C ATOM 385 NH1 ARG A 201 -3.087 -13.965 7.856 1.00 2.95 N ATOM 386 NH2 ARG A 201 -1.935 -15.535 6.709 1.00 3.92 N ATOM 0 H ARG A 201 -2.896 -9.567 3.591 1.00 0.40 H new ATOM 0 HA ARG A 201 -0.050 -9.873 3.442 1.00 0.47 H new ATOM 0 HB2 ARG A 201 -2.359 -11.882 3.525 1.00 0.60 H new ATOM 0 HB3 ARG A 201 -0.681 -12.298 3.810 1.00 0.60 H new ATOM 0 HG2 ARG A 201 -0.562 -11.002 5.819 1.00 1.37 H new ATOM 0 HG3 ARG A 201 -1.956 -10.030 5.389 1.00 1.37 H new ATOM 0 HD2 ARG A 201 -2.493 -11.715 7.166 1.00 1.62 H new ATOM 0 HD3 ARG A 201 -3.469 -11.939 5.728 1.00 1.62 H new ATOM 0 HE ARG A 201 -1.305 -13.639 5.235 1.00 2.39 H new ATOM 0 HH11 ARG A 201 -3.385 -12.996 7.971 1.00 2.95 H new ATOM 0 HH12 ARG A 201 -3.384 -14.673 8.528 1.00 2.95 H new ATOM 0 HH21 ARG A 201 -1.332 -15.794 5.928 1.00 3.92 H new ATOM 0 HH22 ARG A 201 -2.232 -16.243 7.381 1.00 3.92 H new ATOM 400 N LYS A 202 -1.735 -10.915 0.823 1.00 0.39 N ATOM 401 CA LYS A 202 -1.547 -11.339 -0.596 1.00 0.46 C ATOM 402 C LYS A 202 -0.961 -10.174 -1.390 1.00 0.44 C ATOM 403 O LYS A 202 -0.044 -10.331 -2.171 1.00 0.49 O ATOM 404 CB LYS A 202 -2.927 -11.697 -1.188 1.00 0.57 C ATOM 405 CG LYS A 202 -3.122 -13.214 -1.271 1.00 1.28 C ATOM 406 CD LYS A 202 -4.568 -13.523 -1.750 1.00 1.57 C ATOM 407 CE LYS A 202 -4.613 -14.761 -2.679 1.00 2.34 C ATOM 408 NZ LYS A 202 -5.701 -15.667 -2.221 1.00 2.99 N ATOM 0 H LYS A 202 -2.705 -10.780 1.109 1.00 0.39 H new ATOM 0 HA LYS A 202 -0.877 -12.197 -0.645 1.00 0.46 H new ATOM 0 HB2 LYS A 202 -3.713 -11.261 -0.572 1.00 0.57 H new ATOM 0 HB3 LYS A 202 -3.022 -11.261 -2.183 1.00 0.57 H new ATOM 0 HG2 LYS A 202 -2.398 -13.648 -1.961 1.00 1.28 H new ATOM 0 HG3 LYS A 202 -2.945 -13.668 -0.296 1.00 1.28 H new ATOM 0 HD2 LYS A 202 -5.209 -13.694 -0.885 1.00 1.57 H new ATOM 0 HD3 LYS A 202 -4.969 -12.658 -2.278 1.00 1.57 H new ATOM 0 HE2 LYS A 202 -4.788 -14.453 -3.710 1.00 2.34 H new ATOM 0 HE3 LYS A 202 -3.656 -15.282 -2.660 1.00 2.34 H new ATOM 0 HZ1 LYS A 202 -5.740 -16.503 -2.839 1.00 2.99 H new ATOM 0 HZ2 LYS A 202 -5.514 -15.968 -1.243 1.00 2.99 H new ATOM 0 HZ3 LYS A 202 -6.611 -15.165 -2.260 1.00 2.99 H new ATOM 422 N CYS A 203 -1.503 -9.012 -1.198 1.00 0.41 N ATOM 423 CA CYS A 203 -1.010 -7.831 -1.941 1.00 0.44 C ATOM 424 C CYS A 203 0.476 -7.638 -1.653 1.00 0.39 C ATOM 425 O CYS A 203 1.251 -7.315 -2.531 1.00 0.38 O ATOM 426 CB CYS A 203 -1.792 -6.600 -1.479 1.00 0.49 C ATOM 427 SG CYS A 203 -1.069 -5.110 -2.205 1.00 1.39 S ATOM 0 H CYS A 203 -2.272 -8.829 -0.553 1.00 0.41 H new ATOM 0 HA CYS A 203 -1.150 -7.975 -3.012 1.00 0.44 H new ATOM 0 HB2 CYS A 203 -2.837 -6.690 -1.774 1.00 0.49 H new ATOM 0 HB3 CYS A 203 -1.773 -6.532 -0.391 1.00 0.49 H new ATOM 0 HG CYS A 203 -1.738 -4.067 -1.811 1.00 1.39 H new ATOM 433 N TYR A 204 0.881 -7.827 -0.429 1.00 0.36 N ATOM 434 CA TYR A 204 2.317 -7.645 -0.094 1.00 0.31 C ATOM 435 C TYR A 204 3.182 -8.666 -0.837 1.00 0.28 C ATOM 436 O TYR A 204 4.235 -8.339 -1.347 1.00 0.25 O ATOM 437 CB TYR A 204 2.536 -7.817 1.402 1.00 0.33 C ATOM 438 CG TYR A 204 3.943 -7.386 1.716 1.00 0.32 C ATOM 439 CD1 TYR A 204 5.001 -8.287 1.564 1.00 0.37 C ATOM 440 CD2 TYR A 204 4.190 -6.075 2.137 1.00 0.36 C ATOM 441 CE1 TYR A 204 6.308 -7.879 1.841 1.00 0.42 C ATOM 442 CE2 TYR A 204 5.498 -5.666 2.412 1.00 0.42 C ATOM 443 CZ TYR A 204 6.556 -6.569 2.265 1.00 0.43 C ATOM 444 OH TYR A 204 7.842 -6.169 2.540 1.00 0.52 O ATOM 0 H TYR A 204 0.281 -8.099 0.350 1.00 0.36 H new ATOM 0 HA TYR A 204 2.604 -6.638 -0.398 1.00 0.31 H new ATOM 0 HB2 TYR A 204 1.819 -7.218 1.964 1.00 0.33 H new ATOM 0 HB3 TYR A 204 2.381 -8.856 1.693 1.00 0.33 H new ATOM 0 HD1 TYR A 204 4.808 -9.297 1.233 1.00 0.37 H new ATOM 0 HD2 TYR A 204 3.371 -5.380 2.249 1.00 0.36 H new ATOM 0 HE1 TYR A 204 7.127 -8.574 1.728 1.00 0.42 H new ATOM 0 HE2 TYR A 204 5.691 -4.655 2.737 1.00 0.42 H new ATOM 0 HH TYR A 204 7.833 -5.522 3.276 1.00 0.52 H new ATOM 454 N GLU A 205 2.762 -9.902 -0.898 1.00 0.31 N ATOM 455 CA GLU A 205 3.591 -10.918 -1.606 1.00 0.32 C ATOM 456 C GLU A 205 3.747 -10.478 -3.053 1.00 0.31 C ATOM 457 O GLU A 205 4.801 -10.597 -3.645 1.00 0.31 O ATOM 458 CB GLU A 205 2.908 -12.290 -1.564 1.00 0.38 C ATOM 459 CG GLU A 205 2.943 -12.845 -0.139 1.00 0.43 C ATOM 460 CD GLU A 205 2.473 -14.302 -0.149 1.00 1.20 C ATOM 461 OE1 GLU A 205 3.302 -15.169 -0.372 1.00 1.89 O ATOM 462 OE2 GLU A 205 1.293 -14.527 0.067 1.00 2.00 O ATOM 0 H GLU A 205 1.892 -10.248 -0.494 1.00 0.31 H new ATOM 0 HA GLU A 205 4.563 -11.000 -1.120 1.00 0.32 H new ATOM 0 HB2 GLU A 205 1.876 -12.203 -1.905 1.00 0.38 H new ATOM 0 HB3 GLU A 205 3.411 -12.977 -2.244 1.00 0.38 H new ATOM 0 HG2 GLU A 205 3.954 -12.780 0.264 1.00 0.43 H new ATOM 0 HG3 GLU A 205 2.302 -12.249 0.511 1.00 0.43 H new ATOM 469 N ARG A 206 2.703 -9.964 -3.626 1.00 0.34 N ATOM 470 CA ARG A 206 2.781 -9.506 -5.034 1.00 0.37 C ATOM 471 C ARG A 206 3.793 -8.358 -5.137 1.00 0.32 C ATOM 472 O ARG A 206 4.560 -8.276 -6.076 1.00 0.33 O ATOM 473 CB ARG A 206 1.376 -9.043 -5.484 1.00 0.45 C ATOM 474 CG ARG A 206 0.921 -9.881 -6.681 1.00 1.27 C ATOM 475 CD ARG A 206 -0.416 -9.376 -7.227 1.00 1.73 C ATOM 476 NE ARG A 206 -0.473 -9.686 -8.676 1.00 2.36 N ATOM 477 CZ ARG A 206 -1.615 -9.731 -9.293 1.00 2.79 C ATOM 478 NH1 ARG A 206 -2.724 -9.544 -8.632 1.00 2.98 N ATOM 479 NH2 ARG A 206 -1.646 -9.978 -10.572 1.00 3.57 N ATOM 0 H ARG A 206 1.795 -9.840 -3.179 1.00 0.34 H new ATOM 0 HA ARG A 206 3.112 -10.317 -5.683 1.00 0.37 H new ATOM 0 HB2 ARG A 206 0.667 -9.147 -4.663 1.00 0.45 H new ATOM 0 HB3 ARG A 206 1.398 -7.987 -5.753 1.00 0.45 H new ATOM 0 HG2 ARG A 206 1.677 -9.841 -7.466 1.00 1.27 H new ATOM 0 HG3 ARG A 206 0.825 -10.925 -6.383 1.00 1.27 H new ATOM 0 HD2 ARG A 206 -1.245 -9.853 -6.704 1.00 1.73 H new ATOM 0 HD3 ARG A 206 -0.512 -8.303 -7.064 1.00 1.73 H new ATOM 0 HE ARG A 206 0.389 -9.865 -9.191 1.00 2.36 H new ATOM 0 HH11 ARG A 206 -2.695 -9.362 -7.629 1.00 2.98 H new ATOM 0 HH12 ARG A 206 -3.620 -9.580 -9.118 1.00 2.98 H new ATOM 0 HH21 ARG A 206 -0.777 -10.135 -11.082 1.00 3.57 H new ATOM 0 HH22 ARG A 206 -2.539 -10.015 -11.063 1.00 3.57 H new ATOM 493 N LEU A 207 3.802 -7.478 -4.178 1.00 0.30 N ATOM 494 CA LEU A 207 4.763 -6.345 -4.221 1.00 0.28 C ATOM 495 C LEU A 207 6.180 -6.916 -4.236 1.00 0.24 C ATOM 496 O LEU A 207 7.058 -6.405 -4.904 1.00 0.26 O ATOM 497 CB LEU A 207 4.557 -5.447 -2.996 1.00 0.29 C ATOM 498 CG LEU A 207 5.508 -4.229 -3.051 1.00 0.32 C ATOM 499 CD1 LEU A 207 5.089 -3.256 -4.189 1.00 0.41 C ATOM 500 CD2 LEU A 207 5.504 -3.505 -1.679 1.00 0.33 C ATOM 0 H LEU A 207 3.185 -7.495 -3.366 1.00 0.30 H new ATOM 0 HA LEU A 207 4.603 -5.743 -5.116 1.00 0.28 H new ATOM 0 HB2 LEU A 207 3.522 -5.106 -2.957 1.00 0.29 H new ATOM 0 HB3 LEU A 207 4.739 -6.017 -2.085 1.00 0.29 H new ATOM 0 HG LEU A 207 6.519 -4.576 -3.265 1.00 0.32 H new ATOM 0 HD11 LEU A 207 5.771 -2.406 -4.210 1.00 0.41 H new ATOM 0 HD12 LEU A 207 5.128 -3.777 -5.146 1.00 0.41 H new ATOM 0 HD13 LEU A 207 4.074 -2.902 -4.010 1.00 0.41 H new ATOM 0 HD21 LEU A 207 6.175 -2.647 -1.719 1.00 0.33 H new ATOM 0 HD22 LEU A 207 4.494 -3.166 -1.449 1.00 0.33 H new ATOM 0 HD23 LEU A 207 5.841 -4.193 -0.904 1.00 0.33 H new ATOM 512 N GLU A 208 6.415 -7.977 -3.509 1.00 0.23 N ATOM 513 CA GLU A 208 7.781 -8.568 -3.498 1.00 0.25 C ATOM 514 C GLU A 208 8.137 -8.954 -4.929 1.00 0.28 C ATOM 515 O GLU A 208 9.247 -8.761 -5.382 1.00 0.31 O ATOM 516 CB GLU A 208 7.794 -9.831 -2.630 1.00 0.28 C ATOM 517 CG GLU A 208 7.503 -9.464 -1.176 1.00 0.33 C ATOM 518 CD GLU A 208 7.705 -10.693 -0.288 1.00 0.91 C ATOM 519 OE1 GLU A 208 7.162 -11.734 -0.618 1.00 1.75 O ATOM 520 OE2 GLU A 208 8.402 -10.571 0.706 1.00 1.49 O ATOM 0 H GLU A 208 5.726 -8.454 -2.928 1.00 0.23 H new ATOM 0 HA GLU A 208 8.495 -7.849 -3.097 1.00 0.25 H new ATOM 0 HB2 GLU A 208 7.049 -10.539 -2.992 1.00 0.28 H new ATOM 0 HB3 GLU A 208 8.764 -10.323 -2.703 1.00 0.28 H new ATOM 0 HG2 GLU A 208 8.162 -8.658 -0.855 1.00 0.33 H new ATOM 0 HG3 GLU A 208 6.481 -9.097 -1.080 1.00 0.33 H new ATOM 527 N LEU A 209 7.189 -9.482 -5.651 1.00 0.29 N ATOM 528 CA LEU A 209 7.454 -9.864 -7.060 1.00 0.34 C ATOM 529 C LEU A 209 7.839 -8.592 -7.829 1.00 0.33 C ATOM 530 O LEU A 209 8.797 -8.566 -8.576 1.00 0.35 O ATOM 531 CB LEU A 209 6.172 -10.489 -7.645 1.00 0.40 C ATOM 532 CG LEU A 209 6.500 -11.448 -8.807 1.00 1.28 C ATOM 533 CD1 LEU A 209 7.344 -12.644 -8.299 1.00 1.80 C ATOM 534 CD2 LEU A 209 5.184 -11.966 -9.423 1.00 2.04 C ATOM 0 H LEU A 209 6.241 -9.665 -5.323 1.00 0.29 H new ATOM 0 HA LEU A 209 8.264 -10.590 -7.134 1.00 0.34 H new ATOM 0 HB2 LEU A 209 5.638 -11.030 -6.863 1.00 0.40 H new ATOM 0 HB3 LEU A 209 5.508 -9.700 -7.997 1.00 0.40 H new ATOM 0 HG LEU A 209 7.076 -10.911 -9.561 1.00 1.28 H new ATOM 0 HD11 LEU A 209 7.567 -13.312 -9.131 1.00 1.80 H new ATOM 0 HD12 LEU A 209 8.276 -12.276 -7.870 1.00 1.80 H new ATOM 0 HD13 LEU A 209 6.784 -13.188 -7.538 1.00 1.80 H new ATOM 0 HD21 LEU A 209 5.410 -12.645 -10.245 1.00 2.04 H new ATOM 0 HD22 LEU A 209 4.610 -12.495 -8.663 1.00 2.04 H new ATOM 0 HD23 LEU A 209 4.601 -11.124 -9.797 1.00 2.04 H new ATOM 546 N ALA A 210 7.094 -7.533 -7.631 1.00 0.31 N ATOM 547 CA ALA A 210 7.398 -6.246 -8.323 1.00 0.31 C ATOM 548 C ALA A 210 8.725 -5.674 -7.810 1.00 0.27 C ATOM 549 O ALA A 210 9.544 -5.197 -8.571 1.00 0.29 O ATOM 550 CB ALA A 210 6.276 -5.247 -8.038 1.00 0.32 C ATOM 0 H ALA A 210 6.282 -7.507 -7.014 1.00 0.31 H new ATOM 0 HA ALA A 210 7.476 -6.425 -9.395 1.00 0.31 H new ATOM 0 HB1 ALA A 210 6.492 -4.304 -8.541 1.00 0.32 H new ATOM 0 HB2 ALA A 210 5.331 -5.646 -8.406 1.00 0.32 H new ATOM 0 HB3 ALA A 210 6.204 -5.077 -6.964 1.00 0.32 H new ATOM 556 N ALA A 211 8.938 -5.712 -6.522 1.00 0.24 N ATOM 557 CA ALA A 211 10.202 -5.168 -5.951 1.00 0.23 C ATOM 558 C ALA A 211 11.388 -5.867 -6.605 1.00 0.27 C ATOM 559 O ALA A 211 12.430 -5.291 -6.831 1.00 0.29 O ATOM 560 CB ALA A 211 10.225 -5.426 -4.438 1.00 0.24 C ATOM 0 H ALA A 211 8.287 -6.099 -5.838 1.00 0.24 H new ATOM 0 HA ALA A 211 10.262 -4.096 -6.138 1.00 0.23 H new ATOM 0 HB1 ALA A 211 11.148 -5.030 -4.015 1.00 0.24 H new ATOM 0 HB2 ALA A 211 9.372 -4.933 -3.972 1.00 0.24 H new ATOM 0 HB3 ALA A 211 10.171 -6.498 -4.251 1.00 0.24 H new ATOM 566 N ARG A 212 11.215 -7.113 -6.891 1.00 0.31 N ATOM 567 CA ARG A 212 12.284 -7.929 -7.524 1.00 0.38 C ATOM 568 C ARG A 212 12.572 -7.379 -8.931 1.00 0.39 C ATOM 569 O ARG A 212 13.705 -7.168 -9.317 1.00 0.43 O ATOM 570 CB ARG A 212 11.704 -9.351 -7.612 1.00 0.46 C ATOM 571 CG ARG A 212 12.775 -10.443 -7.458 1.00 1.14 C ATOM 572 CD ARG A 212 12.040 -11.782 -7.230 1.00 1.51 C ATOM 573 NE ARG A 212 12.914 -12.942 -6.825 1.00 2.21 N ATOM 574 CZ ARG A 212 14.150 -13.120 -7.242 1.00 2.90 C ATOM 575 NH1 ARG A 212 14.898 -12.147 -7.682 1.00 3.17 N ATOM 576 NH2 ARG A 212 14.681 -14.302 -7.096 1.00 3.85 N ATOM 0 H ARG A 212 10.350 -7.623 -6.709 1.00 0.31 H new ATOM 0 HA ARG A 212 13.218 -7.911 -6.963 1.00 0.38 H new ATOM 0 HB2 ARG A 212 10.948 -9.478 -6.837 1.00 0.46 H new ATOM 0 HB3 ARG A 212 11.201 -9.474 -8.571 1.00 0.46 H new ATOM 0 HG2 ARG A 212 13.401 -10.495 -8.349 1.00 1.14 H new ATOM 0 HG3 ARG A 212 13.434 -10.219 -6.619 1.00 1.14 H new ATOM 0 HD2 ARG A 212 11.283 -11.634 -6.460 1.00 1.51 H new ATOM 0 HD3 ARG A 212 11.514 -12.049 -8.147 1.00 1.51 H new ATOM 0 HE ARG A 212 12.522 -13.634 -6.186 1.00 2.21 H new ATOM 0 HH11 ARG A 212 14.531 -11.196 -7.714 1.00 3.17 H new ATOM 0 HH12 ARG A 212 15.850 -12.337 -7.994 1.00 3.17 H new ATOM 0 HH21 ARG A 212 14.141 -15.055 -6.669 1.00 3.85 H new ATOM 0 HH22 ARG A 212 15.637 -14.474 -7.408 1.00 3.85 H new ATOM 590 N GLU A 213 11.535 -7.162 -9.692 1.00 0.39 N ATOM 591 CA GLU A 213 11.695 -6.647 -11.081 1.00 0.43 C ATOM 592 C GLU A 213 12.342 -5.252 -11.051 1.00 0.41 C ATOM 593 O GLU A 213 13.221 -4.950 -11.834 1.00 0.47 O ATOM 594 CB GLU A 213 10.288 -6.589 -11.725 1.00 0.46 C ATOM 595 CG GLU A 213 10.334 -6.933 -13.232 1.00 1.25 C ATOM 596 CD GLU A 213 8.968 -7.471 -13.676 1.00 1.74 C ATOM 597 OE1 GLU A 213 8.078 -6.667 -13.899 1.00 2.26 O ATOM 598 OE2 GLU A 213 8.836 -8.680 -13.781 1.00 2.44 O ATOM 0 H GLU A 213 10.569 -7.322 -9.406 1.00 0.39 H new ATOM 0 HA GLU A 213 12.344 -7.300 -11.665 1.00 0.43 H new ATOM 0 HB2 GLU A 213 9.624 -7.286 -11.213 1.00 0.46 H new ATOM 0 HB3 GLU A 213 9.868 -5.592 -11.592 1.00 0.46 H new ATOM 0 HG2 GLU A 213 10.593 -6.046 -13.811 1.00 1.25 H new ATOM 0 HG3 GLU A 213 11.109 -7.676 -13.423 1.00 1.25 H new ATOM 605 N HIS A 214 11.918 -4.402 -10.152 1.00 0.35 N ATOM 606 CA HIS A 214 12.513 -3.033 -10.070 1.00 0.37 C ATOM 607 C HIS A 214 13.677 -3.043 -9.077 1.00 0.35 C ATOM 608 O HIS A 214 14.419 -2.087 -8.964 1.00 0.41 O ATOM 609 CB HIS A 214 11.449 -2.045 -9.594 1.00 0.36 C ATOM 610 CG HIS A 214 10.386 -1.909 -10.648 1.00 0.42 C ATOM 611 ND1 HIS A 214 10.544 -1.091 -11.755 1.00 0.53 N ATOM 612 CD2 HIS A 214 9.146 -2.484 -10.779 1.00 0.44 C ATOM 613 CE1 HIS A 214 9.428 -1.196 -12.499 1.00 0.58 C ATOM 614 NE2 HIS A 214 8.543 -2.032 -11.949 1.00 0.53 N ATOM 0 H HIS A 214 11.185 -4.596 -9.470 1.00 0.35 H new ATOM 0 HA HIS A 214 12.875 -2.734 -11.053 1.00 0.37 H new ATOM 0 HB2 HIS A 214 11.008 -2.391 -8.659 1.00 0.36 H new ATOM 0 HB3 HIS A 214 11.903 -1.075 -9.392 1.00 0.36 H new ATOM 0 HD2 HIS A 214 8.706 -3.181 -10.081 1.00 0.44 H new ATOM 0 HE1 HIS A 214 9.267 -0.669 -13.428 1.00 0.58 H new ATOM 0 HE2 HIS A 214 7.623 -2.285 -12.309 1.00 0.53 H new ATOM 622 N GLY A 215 13.836 -4.115 -8.353 1.00 0.32 N ATOM 623 CA GLY A 215 14.945 -4.191 -7.361 1.00 0.33 C ATOM 624 C GLY A 215 14.657 -3.242 -6.194 1.00 0.31 C ATOM 625 O GLY A 215 15.562 -2.724 -5.571 1.00 0.40 O ATOM 0 H GLY A 215 13.244 -4.944 -8.405 1.00 0.32 H new ATOM 0 HA2 GLY A 215 15.049 -5.212 -6.995 1.00 0.33 H new ATOM 0 HA3 GLY A 215 15.889 -3.924 -7.835 1.00 0.33 H new ATOM 629 N TRP A 216 13.407 -2.995 -5.899 1.00 0.27 N ATOM 630 CA TRP A 216 13.088 -2.063 -4.778 1.00 0.27 C ATOM 631 C TRP A 216 13.355 -2.726 -3.428 1.00 0.27 C ATOM 632 O TRP A 216 13.077 -3.892 -3.225 1.00 0.27 O ATOM 633 CB TRP A 216 11.605 -1.673 -4.783 1.00 0.26 C ATOM 634 CG TRP A 216 11.205 -0.924 -6.022 1.00 0.28 C ATOM 635 CD1 TRP A 216 11.958 -0.010 -6.683 1.00 0.32 C ATOM 636 CD2 TRP A 216 9.936 -1.000 -6.742 1.00 0.30 C ATOM 637 NE1 TRP A 216 11.230 0.480 -7.752 1.00 0.35 N ATOM 638 CE2 TRP A 216 9.982 -0.103 -7.834 1.00 0.34 C ATOM 639 CE3 TRP A 216 8.760 -1.756 -6.554 1.00 0.29 C ATOM 640 CZ2 TRP A 216 8.903 0.043 -8.708 1.00 0.37 C ATOM 641 CZ3 TRP A 216 7.674 -1.610 -7.433 1.00 0.33 C ATOM 642 CH2 TRP A 216 7.746 -0.712 -8.507 1.00 0.37 C ATOM 0 H TRP A 216 12.601 -3.394 -6.380 1.00 0.27 H new ATOM 0 HA TRP A 216 13.719 -1.186 -4.919 1.00 0.27 H new ATOM 0 HB2 TRP A 216 10.997 -2.573 -4.696 1.00 0.26 H new ATOM 0 HB3 TRP A 216 11.392 -1.059 -3.908 1.00 0.26 H new ATOM 0 HD1 TRP A 216 12.962 0.287 -6.418 1.00 0.32 H new ATOM 0 HE1 TRP A 216 11.574 1.187 -8.402 1.00 0.35 H new ATOM 0 HE3 TRP A 216 8.694 -2.451 -5.730 1.00 0.29 H new ATOM 0 HZ2 TRP A 216 8.963 0.736 -9.534 1.00 0.37 H new ATOM 0 HZ3 TRP A 216 6.778 -2.193 -7.280 1.00 0.33 H new ATOM 0 HH2 TRP A 216 6.907 -0.604 -9.178 1.00 0.37 H new ATOM 653 N SER A 217 13.833 -1.963 -2.484 1.00 0.30 N ATOM 654 CA SER A 217 14.054 -2.503 -1.115 1.00 0.33 C ATOM 655 C SER A 217 12.760 -2.260 -0.335 1.00 0.34 C ATOM 656 O SER A 217 12.432 -1.138 -0.019 1.00 0.51 O ATOM 657 CB SER A 217 15.221 -1.751 -0.457 1.00 0.39 C ATOM 658 OG SER A 217 16.408 -2.521 -0.598 1.00 1.17 O ATOM 0 H SER A 217 14.082 -0.981 -2.604 1.00 0.30 H new ATOM 0 HA SER A 217 14.300 -3.565 -1.134 1.00 0.33 H new ATOM 0 HB2 SER A 217 15.349 -0.774 -0.923 1.00 0.39 H new ATOM 0 HB3 SER A 217 15.009 -1.576 0.598 1.00 0.39 H new ATOM 0 HG SER A 217 17.157 -2.046 -0.182 1.00 1.17 H new ATOM 664 N ILE A 218 12.004 -3.281 -0.043 1.00 0.30 N ATOM 665 CA ILE A 218 10.720 -3.057 0.688 1.00 0.32 C ATOM 666 C ILE A 218 10.957 -3.154 2.204 1.00 0.34 C ATOM 667 O ILE A 218 11.792 -3.915 2.649 1.00 0.41 O ATOM 668 CB ILE A 218 9.712 -4.129 0.256 1.00 0.32 C ATOM 669 CG1 ILE A 218 10.127 -5.500 0.829 1.00 0.31 C ATOM 670 CG2 ILE A 218 9.678 -4.201 -1.277 1.00 0.41 C ATOM 671 CD1 ILE A 218 9.319 -6.629 0.172 1.00 0.44 C ATOM 0 H ILE A 218 12.214 -4.252 -0.275 1.00 0.30 H new ATOM 0 HA ILE A 218 10.333 -2.065 0.454 1.00 0.32 H new ATOM 0 HB ILE A 218 8.723 -3.870 0.634 1.00 0.32 H new ATOM 0 HG12 ILE A 218 11.192 -5.663 0.661 1.00 0.31 H new ATOM 0 HG13 ILE A 218 9.968 -5.512 1.907 1.00 0.31 H new ATOM 0 HG21 ILE A 218 8.963 -4.962 -1.590 1.00 0.41 H new ATOM 0 HG22 ILE A 218 9.378 -3.234 -1.680 1.00 0.41 H new ATOM 0 HG23 ILE A 218 10.669 -4.459 -1.651 1.00 0.41 H new ATOM 0 HD11 ILE A 218 9.627 -7.587 0.590 1.00 0.44 H new ATOM 0 HD12 ILE A 218 8.257 -6.475 0.362 1.00 0.44 H new ATOM 0 HD13 ILE A 218 9.499 -6.627 -0.903 1.00 0.44 H new ATOM 683 N PRO A 219 10.219 -2.412 3.000 1.00 0.45 N ATOM 684 CA PRO A 219 10.361 -2.460 4.482 1.00 0.54 C ATOM 685 C PRO A 219 9.686 -3.705 5.065 1.00 0.41 C ATOM 686 O PRO A 219 8.970 -4.410 4.382 1.00 0.35 O ATOM 687 CB PRO A 219 9.644 -1.188 4.946 1.00 0.72 C ATOM 688 CG PRO A 219 8.579 -0.972 3.923 1.00 0.84 C ATOM 689 CD PRO A 219 9.175 -1.447 2.592 1.00 0.62 C ATOM 0 HA PRO A 219 11.401 -2.511 4.805 1.00 0.54 H new ATOM 0 HB2 PRO A 219 9.220 -1.311 5.942 1.00 0.72 H new ATOM 0 HB3 PRO A 219 10.328 -0.341 4.994 1.00 0.72 H new ATOM 0 HG2 PRO A 219 7.679 -1.534 4.171 1.00 0.84 H new ATOM 0 HG3 PRO A 219 8.294 0.079 3.871 1.00 0.84 H new ATOM 0 HD2 PRO A 219 8.421 -1.916 1.960 1.00 0.62 H new ATOM 0 HD3 PRO A 219 9.596 -0.618 2.023 1.00 0.62 H new ATOM 697 N SER A 220 9.903 -3.980 6.318 1.00 0.43 N ATOM 698 CA SER A 220 9.266 -5.177 6.930 1.00 0.38 C ATOM 699 C SER A 220 7.743 -5.047 6.832 1.00 0.30 C ATOM 700 O SER A 220 7.190 -3.973 6.961 1.00 0.33 O ATOM 701 CB SER A 220 9.683 -5.281 8.400 1.00 0.49 C ATOM 702 OG SER A 220 8.642 -5.905 9.141 1.00 1.42 O ATOM 0 H SER A 220 10.492 -3.430 6.944 1.00 0.43 H new ATOM 0 HA SER A 220 9.587 -6.074 6.401 1.00 0.38 H new ATOM 0 HB2 SER A 220 10.604 -5.857 8.489 1.00 0.49 H new ATOM 0 HB3 SER A 220 9.888 -4.289 8.803 1.00 0.49 H new ATOM 0 HG SER A 220 8.907 -5.974 10.082 1.00 1.42 H new ATOM 708 N ARG A 221 7.067 -6.136 6.591 1.00 0.30 N ATOM 709 CA ARG A 221 5.579 -6.093 6.467 1.00 0.33 C ATOM 710 C ARG A 221 4.957 -5.417 7.689 1.00 0.35 C ATOM 711 O ARG A 221 4.014 -4.659 7.571 1.00 0.36 O ATOM 712 CB ARG A 221 5.031 -7.518 6.338 1.00 0.42 C ATOM 713 CG ARG A 221 5.410 -8.066 4.964 1.00 0.47 C ATOM 714 CD ARG A 221 4.873 -9.489 4.768 1.00 0.81 C ATOM 715 NE ARG A 221 5.863 -10.448 5.344 1.00 1.45 N ATOM 716 CZ ARG A 221 5.730 -11.726 5.151 1.00 1.99 C ATOM 717 NH1 ARG A 221 4.805 -12.164 4.341 1.00 2.18 N ATOM 718 NH2 ARG A 221 6.541 -12.566 5.731 1.00 3.00 N ATOM 0 H ARG A 221 7.482 -7.060 6.474 1.00 0.30 H new ATOM 0 HA ARG A 221 5.321 -5.518 5.578 1.00 0.33 H new ATOM 0 HB2 ARG A 221 5.440 -8.153 7.124 1.00 0.42 H new ATOM 0 HB3 ARG A 221 3.948 -7.519 6.459 1.00 0.42 H new ATOM 0 HG2 ARG A 221 5.012 -7.414 4.187 1.00 0.47 H new ATOM 0 HG3 ARG A 221 6.495 -8.065 4.856 1.00 0.47 H new ATOM 0 HD2 ARG A 221 3.906 -9.601 5.259 1.00 0.81 H new ATOM 0 HD3 ARG A 221 4.718 -9.694 3.709 1.00 0.81 H new ATOM 0 HE ARG A 221 6.648 -10.097 5.892 1.00 1.45 H new ATOM 0 HH11 ARG A 221 4.191 -11.504 3.863 1.00 2.18 H new ATOM 0 HH12 ARG A 221 4.696 -13.166 4.186 1.00 2.18 H new ATOM 0 HH21 ARG A 221 7.284 -12.221 6.339 1.00 3.00 H new ATOM 0 HH22 ARG A 221 6.433 -13.568 5.577 1.00 3.00 H new ATOM 732 N ALA A 222 5.460 -5.678 8.860 1.00 0.38 N ATOM 733 CA ALA A 222 4.870 -5.037 10.067 1.00 0.44 C ATOM 734 C ALA A 222 4.968 -3.513 9.914 1.00 0.42 C ATOM 735 O ALA A 222 4.061 -2.787 10.260 1.00 0.45 O ATOM 736 CB ALA A 222 5.638 -5.510 11.320 1.00 0.50 C ATOM 0 H ALA A 222 6.248 -6.302 9.035 1.00 0.38 H new ATOM 0 HA ALA A 222 3.822 -5.317 10.175 1.00 0.44 H new ATOM 0 HB1 ALA A 222 5.210 -5.043 12.207 1.00 0.50 H new ATOM 0 HB2 ALA A 222 5.560 -6.594 11.407 1.00 0.50 H new ATOM 0 HB3 ALA A 222 6.687 -5.227 11.232 1.00 0.50 H new ATOM 742 N THR A 223 6.064 -3.033 9.395 1.00 0.40 N ATOM 743 CA THR A 223 6.238 -1.561 9.212 1.00 0.42 C ATOM 744 C THR A 223 5.247 -1.045 8.162 1.00 0.38 C ATOM 745 O THR A 223 4.706 0.036 8.286 1.00 0.39 O ATOM 746 CB THR A 223 7.674 -1.295 8.727 1.00 0.45 C ATOM 747 OG1 THR A 223 8.588 -1.779 9.701 1.00 0.50 O ATOM 748 CG2 THR A 223 7.922 0.209 8.516 1.00 0.50 C ATOM 0 H THR A 223 6.854 -3.600 9.087 1.00 0.40 H new ATOM 0 HA THR A 223 6.055 -1.048 10.156 1.00 0.42 H new ATOM 0 HB THR A 223 7.816 -1.806 7.775 1.00 0.45 H new ATOM 0 HG1 THR A 223 9.506 -1.615 9.399 1.00 0.50 H new ATOM 0 HG21 THR A 223 8.945 0.365 8.173 1.00 0.50 H new ATOM 0 HG22 THR A 223 7.227 0.591 7.768 1.00 0.50 H new ATOM 0 HG23 THR A 223 7.770 0.738 9.457 1.00 0.50 H new ATOM 756 N ALA A 224 5.040 -1.785 7.112 1.00 0.34 N ATOM 757 CA ALA A 224 4.125 -1.311 6.036 1.00 0.31 C ATOM 758 C ALA A 224 2.697 -1.125 6.566 1.00 0.30 C ATOM 759 O ALA A 224 2.128 -0.063 6.446 1.00 0.30 O ATOM 760 CB ALA A 224 4.130 -2.335 4.901 1.00 0.32 C ATOM 0 H ALA A 224 5.464 -2.698 6.950 1.00 0.34 H new ATOM 0 HA ALA A 224 4.474 -0.344 5.673 1.00 0.31 H new ATOM 0 HB1 ALA A 224 3.464 -2.000 4.106 1.00 0.32 H new ATOM 0 HB2 ALA A 224 5.141 -2.437 4.508 1.00 0.32 H new ATOM 0 HB3 ALA A 224 3.788 -3.299 5.279 1.00 0.32 H new ATOM 766 N PHE A 225 2.114 -2.137 7.147 1.00 0.31 N ATOM 767 CA PHE A 225 0.717 -2.001 7.671 1.00 0.33 C ATOM 768 C PHE A 225 0.646 -0.897 8.735 1.00 0.34 C ATOM 769 O PHE A 225 -0.305 -0.142 8.794 1.00 0.34 O ATOM 770 CB PHE A 225 0.261 -3.336 8.271 1.00 0.38 C ATOM 771 CG PHE A 225 -1.090 -3.165 8.938 1.00 0.42 C ATOM 772 CD1 PHE A 225 -2.221 -2.840 8.173 1.00 0.43 C ATOM 773 CD2 PHE A 225 -1.213 -3.339 10.325 1.00 0.48 C ATOM 774 CE1 PHE A 225 -3.467 -2.689 8.795 1.00 0.49 C ATOM 775 CE2 PHE A 225 -2.459 -3.187 10.943 1.00 0.54 C ATOM 776 CZ PHE A 225 -3.585 -2.862 10.180 1.00 0.54 C ATOM 0 H PHE A 225 2.541 -3.053 7.284 1.00 0.31 H new ATOM 0 HA PHE A 225 0.057 -1.729 6.847 1.00 0.33 H new ATOM 0 HB2 PHE A 225 0.198 -4.094 7.490 1.00 0.38 H new ATOM 0 HB3 PHE A 225 0.994 -3.688 8.998 1.00 0.38 H new ATOM 0 HD1 PHE A 225 -2.131 -2.706 7.105 1.00 0.43 H new ATOM 0 HD2 PHE A 225 -0.345 -3.591 10.916 1.00 0.48 H new ATOM 0 HE1 PHE A 225 -4.337 -2.439 8.206 1.00 0.49 H new ATOM 0 HE2 PHE A 225 -2.551 -3.321 12.011 1.00 0.54 H new ATOM 0 HZ PHE A 225 -4.546 -2.744 10.659 1.00 0.54 H new ATOM 786 N ARG A 226 1.633 -0.807 9.581 1.00 0.36 N ATOM 787 CA ARG A 226 1.625 0.235 10.657 1.00 0.39 C ATOM 788 C ARG A 226 1.360 1.609 10.026 1.00 0.37 C ATOM 789 O ARG A 226 0.520 2.360 10.468 1.00 0.38 O ATOM 790 CB ARG A 226 3.026 0.236 11.328 1.00 0.46 C ATOM 791 CG ARG A 226 2.964 0.278 12.890 1.00 1.16 C ATOM 792 CD ARG A 226 3.863 -0.835 13.437 1.00 1.45 C ATOM 793 NE ARG A 226 3.936 -0.800 14.938 1.00 2.10 N ATOM 794 CZ ARG A 226 4.634 0.087 15.584 1.00 2.72 C ATOM 795 NH1 ARG A 226 5.127 1.127 14.968 1.00 2.93 N ATOM 796 NH2 ARG A 226 4.826 -0.060 16.867 1.00 3.65 N ATOM 0 H ARG A 226 2.453 -1.413 9.577 1.00 0.36 H new ATOM 0 HA ARG A 226 0.850 0.024 11.393 1.00 0.39 H new ATOM 0 HB2 ARG A 226 3.571 -0.655 11.017 1.00 0.46 H new ATOM 0 HB3 ARG A 226 3.592 1.096 10.971 1.00 0.46 H new ATOM 0 HG2 ARG A 226 3.296 1.249 13.257 1.00 1.16 H new ATOM 0 HG3 ARG A 226 1.939 0.141 13.233 1.00 1.16 H new ATOM 0 HD2 ARG A 226 3.482 -1.803 13.113 1.00 1.45 H new ATOM 0 HD3 ARG A 226 4.865 -0.732 13.021 1.00 1.45 H new ATOM 0 HE ARG A 226 3.418 -1.499 15.470 1.00 2.10 H new ATOM 0 HH11 ARG A 226 4.966 1.251 13.968 1.00 2.93 H new ATOM 0 HH12 ARG A 226 5.673 1.815 15.486 1.00 2.93 H new ATOM 0 HH21 ARG A 226 4.430 -0.865 17.353 1.00 3.65 H new ATOM 0 HH22 ARG A 226 5.372 0.630 17.383 1.00 3.65 H new ATOM 810 N ARG A 227 2.090 1.940 9.004 1.00 0.35 N ATOM 811 CA ARG A 227 1.905 3.262 8.351 1.00 0.35 C ATOM 812 C ARG A 227 0.519 3.345 7.714 1.00 0.30 C ATOM 813 O ARG A 227 -0.077 4.403 7.660 1.00 0.32 O ATOM 814 CB ARG A 227 3.019 3.469 7.314 1.00 0.40 C ATOM 815 CG ARG A 227 4.262 4.034 8.033 1.00 1.13 C ATOM 816 CD ARG A 227 5.529 3.911 7.168 1.00 1.46 C ATOM 817 NE ARG A 227 5.767 5.190 6.446 1.00 1.91 N ATOM 818 CZ ARG A 227 6.949 5.439 5.956 1.00 2.56 C ATOM 819 NH1 ARG A 227 7.905 4.562 6.095 1.00 2.97 N ATOM 820 NH2 ARG A 227 7.177 6.563 5.334 1.00 3.34 N ATOM 0 H ARG A 227 2.811 1.350 8.590 1.00 0.35 H new ATOM 0 HA ARG A 227 1.970 4.058 9.093 1.00 0.35 H new ATOM 0 HB2 ARG A 227 3.261 2.525 6.825 1.00 0.40 H new ATOM 0 HB3 ARG A 227 2.688 4.156 6.535 1.00 0.40 H new ATOM 0 HG2 ARG A 227 4.093 5.081 8.282 1.00 1.13 H new ATOM 0 HG3 ARG A 227 4.411 3.503 8.973 1.00 1.13 H new ATOM 0 HD2 ARG A 227 6.388 3.671 7.795 1.00 1.46 H new ATOM 0 HD3 ARG A 227 5.417 3.095 6.455 1.00 1.46 H new ATOM 0 HE ARG A 227 5.012 5.866 6.335 1.00 1.91 H new ATOM 0 HH11 ARG A 227 7.726 3.686 6.585 1.00 2.97 H new ATOM 0 HH12 ARG A 227 8.831 4.753 5.713 1.00 2.97 H new ATOM 0 HH21 ARG A 227 6.430 7.249 5.230 1.00 3.34 H new ATOM 0 HH22 ARG A 227 8.103 6.756 4.951 1.00 3.34 H new ATOM 834 N ILE A 228 -0.022 2.254 7.258 1.00 0.26 N ATOM 835 CA ILE A 228 -1.383 2.330 6.672 1.00 0.25 C ATOM 836 C ILE A 228 -2.326 2.820 7.783 1.00 0.28 C ATOM 837 O ILE A 228 -3.268 3.547 7.536 1.00 0.30 O ATOM 838 CB ILE A 228 -1.824 0.955 6.154 1.00 0.28 C ATOM 839 CG1 ILE A 228 -0.798 0.423 5.121 1.00 0.31 C ATOM 840 CG2 ILE A 228 -3.212 1.082 5.515 1.00 0.32 C ATOM 841 CD1 ILE A 228 -0.978 1.058 3.731 1.00 0.31 C ATOM 0 H ILE A 228 0.410 1.330 7.265 1.00 0.26 H new ATOM 0 HA ILE A 228 -1.401 3.014 5.824 1.00 0.25 H new ATOM 0 HB ILE A 228 -1.873 0.248 6.982 1.00 0.28 H new ATOM 0 HG12 ILE A 228 0.211 0.623 5.480 1.00 0.31 H new ATOM 0 HG13 ILE A 228 -0.898 -0.659 5.038 1.00 0.31 H new ATOM 0 HG21 ILE A 228 -3.532 0.108 5.144 1.00 0.32 H new ATOM 0 HG22 ILE A 228 -3.924 1.439 6.259 1.00 0.32 H new ATOM 0 HG23 ILE A 228 -3.168 1.789 4.687 1.00 0.32 H new ATOM 0 HD11 ILE A 228 -0.235 0.651 3.046 1.00 0.31 H new ATOM 0 HD12 ILE A 228 -1.977 0.836 3.356 1.00 0.31 H new ATOM 0 HD13 ILE A 228 -0.850 2.138 3.805 1.00 0.31 H new ATOM 853 N GLN A 229 -2.053 2.446 9.016 1.00 0.33 N ATOM 854 CA GLN A 229 -2.904 2.912 10.161 1.00 0.41 C ATOM 855 C GLN A 229 -2.731 4.418 10.318 1.00 0.41 C ATOM 856 O GLN A 229 -3.651 5.137 10.657 1.00 0.47 O ATOM 857 CB GLN A 229 -2.426 2.296 11.488 1.00 0.53 C ATOM 858 CG GLN A 229 -2.472 0.748 11.463 1.00 1.32 C ATOM 859 CD GLN A 229 -3.570 0.235 12.405 1.00 1.87 C ATOM 860 OE1 GLN A 229 -4.741 0.448 12.163 1.00 2.30 O ATOM 861 NE2 GLN A 229 -3.234 -0.424 13.481 1.00 2.64 N ATOM 0 H GLN A 229 -1.277 1.838 9.277 1.00 0.33 H new ATOM 0 HA GLN A 229 -3.934 2.624 9.951 1.00 0.41 H new ATOM 0 HB2 GLN A 229 -1.407 2.624 11.693 1.00 0.53 H new ATOM 0 HB3 GLN A 229 -3.050 2.663 12.303 1.00 0.53 H new ATOM 0 HG2 GLN A 229 -2.661 0.399 10.448 1.00 1.32 H new ATOM 0 HG3 GLN A 229 -1.506 0.343 11.764 1.00 1.32 H new ATOM 0 HE21 GLN A 229 -2.250 -0.602 13.683 1.00 2.64 H new ATOM 0 HE22 GLN A 229 -3.955 -0.760 14.119 1.00 2.64 H new ATOM 870 N GLN A 230 -1.529 4.884 10.123 1.00 0.43 N ATOM 871 CA GLN A 230 -1.237 6.327 10.314 1.00 0.52 C ATOM 872 C GLN A 230 -1.922 7.158 9.242 1.00 0.50 C ATOM 873 O GLN A 230 -2.104 8.348 9.406 1.00 0.60 O ATOM 874 CB GLN A 230 0.279 6.559 10.240 1.00 0.65 C ATOM 875 CG GLN A 230 0.989 5.979 11.496 1.00 1.34 C ATOM 876 CD GLN A 230 2.002 6.992 12.046 1.00 1.98 C ATOM 877 OE1 GLN A 230 2.509 7.821 11.316 1.00 2.48 O ATOM 878 NE2 GLN A 230 2.308 6.965 13.314 1.00 2.73 N ATOM 0 H GLN A 230 -0.730 4.318 9.836 1.00 0.43 H new ATOM 0 HA GLN A 230 -1.613 6.630 11.291 1.00 0.52 H new ATOM 0 HB2 GLN A 230 0.680 6.090 9.341 1.00 0.65 H new ATOM 0 HB3 GLN A 230 0.485 7.627 10.161 1.00 0.65 H new ATOM 0 HG2 GLN A 230 0.251 5.739 12.262 1.00 1.34 H new ATOM 0 HG3 GLN A 230 1.496 5.049 11.239 1.00 1.34 H new ATOM 0 HE21 GLN A 230 1.882 6.269 13.927 1.00 2.73 H new ATOM 0 HE22 GLN A 230 2.973 7.640 13.693 1.00 2.73 H new ATOM 887 N LEU A 231 -2.331 6.570 8.159 1.00 0.41 N ATOM 888 CA LEU A 231 -3.020 7.395 7.144 1.00 0.46 C ATOM 889 C LEU A 231 -4.284 7.942 7.809 1.00 0.54 C ATOM 890 O LEU A 231 -4.266 9.029 8.352 1.00 0.98 O ATOM 891 CB LEU A 231 -3.355 6.542 5.914 1.00 0.41 C ATOM 892 CG LEU A 231 -2.056 5.957 5.330 1.00 0.35 C ATOM 893 CD1 LEU A 231 -2.376 5.108 4.097 1.00 0.35 C ATOM 894 CD2 LEU A 231 -1.093 7.088 4.932 1.00 0.41 C ATOM 0 H LEU A 231 -2.222 5.580 7.937 1.00 0.41 H new ATOM 0 HA LEU A 231 -2.392 8.216 6.797 1.00 0.46 H new ATOM 0 HB2 LEU A 231 -4.037 5.738 6.190 1.00 0.41 H new ATOM 0 HB3 LEU A 231 -3.863 7.148 5.164 1.00 0.41 H new ATOM 0 HG LEU A 231 -1.583 5.335 6.090 1.00 0.35 H new ATOM 0 HD11 LEU A 231 -1.453 4.697 3.689 1.00 0.35 H new ATOM 0 HD12 LEU A 231 -3.042 4.293 4.379 1.00 0.35 H new ATOM 0 HD13 LEU A 231 -2.861 5.729 3.344 1.00 0.35 H new ATOM 0 HD21 LEU A 231 -0.179 6.660 4.521 1.00 0.41 H new ATOM 0 HD22 LEU A 231 -1.566 7.722 4.182 1.00 0.41 H new ATOM 0 HD23 LEU A 231 -0.850 7.685 5.811 1.00 0.41 H new ATOM 906 N ASP A 232 -5.360 7.197 7.835 1.00 0.51 N ATOM 907 CA ASP A 232 -6.590 7.698 8.534 1.00 0.66 C ATOM 908 C ASP A 232 -7.718 6.663 8.431 1.00 0.58 C ATOM 909 O ASP A 232 -7.743 5.847 7.536 1.00 0.44 O ATOM 910 CB ASP A 232 -7.074 9.034 7.899 1.00 0.85 C ATOM 911 CG ASP A 232 -7.607 9.972 8.990 1.00 1.75 C ATOM 912 OD1 ASP A 232 -8.260 9.484 9.898 1.00 2.48 O ATOM 913 OD2 ASP A 232 -7.349 11.161 8.899 1.00 2.45 O ATOM 0 H ASP A 232 -5.444 6.274 7.409 1.00 0.51 H new ATOM 0 HA ASP A 232 -6.338 7.865 9.581 1.00 0.66 H new ATOM 0 HB2 ASP A 232 -6.251 9.512 7.367 1.00 0.85 H new ATOM 0 HB3 ASP A 232 -7.855 8.835 7.165 1.00 0.85 H new ATOM 918 N GLU A 233 -8.684 6.729 9.310 1.00 0.71 N ATOM 919 CA GLU A 233 -9.835 5.791 9.205 1.00 0.72 C ATOM 920 C GLU A 233 -10.556 6.145 7.906 1.00 0.63 C ATOM 921 O GLU A 233 -11.095 5.302 7.217 1.00 0.59 O ATOM 922 CB GLU A 233 -10.784 5.971 10.414 1.00 0.92 C ATOM 923 CG GLU A 233 -10.578 4.844 11.433 1.00 1.57 C ATOM 924 CD GLU A 233 -11.504 5.068 12.629 1.00 1.94 C ATOM 925 OE1 GLU A 233 -12.550 5.667 12.440 1.00 2.73 O ATOM 926 OE2 GLU A 233 -11.155 4.631 13.714 1.00 2.09 O ATOM 0 H GLU A 233 -8.724 7.387 10.089 1.00 0.71 H new ATOM 0 HA GLU A 233 -9.504 4.753 9.204 1.00 0.72 H new ATOM 0 HB2 GLU A 233 -10.600 6.935 10.888 1.00 0.92 H new ATOM 0 HB3 GLU A 233 -11.819 5.976 10.073 1.00 0.92 H new ATOM 0 HG2 GLU A 233 -10.788 3.879 10.972 1.00 1.57 H new ATOM 0 HG3 GLU A 233 -9.539 4.821 11.762 1.00 1.57 H new ATOM 933 N ALA A 234 -10.544 7.407 7.571 1.00 0.67 N ATOM 934 CA ALA A 234 -11.197 7.866 6.319 1.00 0.66 C ATOM 935 C ALA A 234 -10.524 7.151 5.146 1.00 0.54 C ATOM 936 O ALA A 234 -11.125 6.911 4.118 1.00 0.52 O ATOM 937 CB ALA A 234 -11.018 9.396 6.197 1.00 0.77 C ATOM 0 H ALA A 234 -10.104 8.145 8.120 1.00 0.67 H new ATOM 0 HA ALA A 234 -12.263 7.637 6.322 1.00 0.66 H new ATOM 0 HB1 ALA A 234 -11.494 9.746 5.281 1.00 0.77 H new ATOM 0 HB2 ALA A 234 -11.479 9.886 7.055 1.00 0.77 H new ATOM 0 HB3 ALA A 234 -9.955 9.637 6.169 1.00 0.77 H new ATOM 943 N MET A 235 -9.277 6.810 5.304 1.00 0.51 N ATOM 944 CA MET A 235 -8.553 6.111 4.214 1.00 0.43 C ATOM 945 C MET A 235 -9.268 4.794 3.908 1.00 0.39 C ATOM 946 O MET A 235 -9.420 4.411 2.765 1.00 0.39 O ATOM 947 CB MET A 235 -7.118 5.839 4.661 1.00 0.45 C ATOM 948 CG MET A 235 -6.285 5.335 3.479 1.00 0.48 C ATOM 949 SD MET A 235 -6.689 3.605 3.126 1.00 0.95 S ATOM 950 CE MET A 235 -6.086 2.891 4.679 1.00 0.41 C ATOM 0 H MET A 235 -8.728 6.987 6.145 1.00 0.51 H new ATOM 0 HA MET A 235 -8.536 6.728 3.316 1.00 0.43 H new ATOM 0 HB2 MET A 235 -6.676 6.750 5.065 1.00 0.45 H new ATOM 0 HB3 MET A 235 -7.112 5.099 5.462 1.00 0.45 H new ATOM 0 HG2 MET A 235 -6.479 5.949 2.599 1.00 0.48 H new ATOM 0 HG3 MET A 235 -5.223 5.430 3.706 1.00 0.48 H new ATOM 0 HE1 MET A 235 -5.476 2.014 4.463 1.00 0.41 H new ATOM 0 HE2 MET A 235 -5.486 3.630 5.210 1.00 0.41 H new ATOM 0 HE3 MET A 235 -6.934 2.599 5.299 1.00 0.41 H new ATOM 960 N VAL A 236 -9.727 4.104 4.918 1.00 0.44 N ATOM 961 CA VAL A 236 -10.451 2.826 4.672 1.00 0.48 C ATOM 962 C VAL A 236 -11.698 3.140 3.848 1.00 0.49 C ATOM 963 O VAL A 236 -12.058 2.425 2.934 1.00 0.53 O ATOM 964 CB VAL A 236 -10.860 2.200 6.013 1.00 0.61 C ATOM 965 CG1 VAL A 236 -11.819 1.017 5.775 1.00 0.70 C ATOM 966 CG2 VAL A 236 -9.602 1.713 6.742 1.00 0.67 C ATOM 0 H VAL A 236 -9.632 4.370 5.898 1.00 0.44 H new ATOM 0 HA VAL A 236 -9.812 2.123 4.137 1.00 0.48 H new ATOM 0 HB VAL A 236 -11.372 2.946 6.621 1.00 0.61 H new ATOM 0 HG11 VAL A 236 -12.103 0.580 6.733 1.00 0.70 H new ATOM 0 HG12 VAL A 236 -12.711 1.370 5.259 1.00 0.70 H new ATOM 0 HG13 VAL A 236 -11.322 0.263 5.165 1.00 0.70 H new ATOM 0 HG21 VAL A 236 -9.884 1.267 7.696 1.00 0.67 H new ATOM 0 HG22 VAL A 236 -9.092 0.969 6.130 1.00 0.67 H new ATOM 0 HG23 VAL A 236 -8.935 2.556 6.919 1.00 0.67 H new ATOM 976 N VAL A 237 -12.343 4.226 4.164 1.00 0.52 N ATOM 977 CA VAL A 237 -13.559 4.638 3.413 1.00 0.61 C ATOM 978 C VAL A 237 -13.144 5.085 2.010 1.00 0.63 C ATOM 979 O VAL A 237 -13.898 4.978 1.071 1.00 0.84 O ATOM 980 CB VAL A 237 -14.229 5.808 4.152 1.00 0.71 C ATOM 981 CG1 VAL A 237 -15.480 6.282 3.396 1.00 0.89 C ATOM 982 CG2 VAL A 237 -14.631 5.358 5.565 1.00 0.81 C ATOM 0 H VAL A 237 -12.075 4.854 4.922 1.00 0.52 H new ATOM 0 HA VAL A 237 -14.259 3.806 3.340 1.00 0.61 H new ATOM 0 HB VAL A 237 -13.520 6.634 4.211 1.00 0.71 H new ATOM 0 HG11 VAL A 237 -15.939 7.110 3.936 1.00 0.89 H new ATOM 0 HG12 VAL A 237 -15.198 6.612 2.396 1.00 0.89 H new ATOM 0 HG13 VAL A 237 -16.192 5.460 3.319 1.00 0.89 H new ATOM 0 HG21 VAL A 237 -15.106 6.187 6.090 1.00 0.81 H new ATOM 0 HG22 VAL A 237 -15.330 4.524 5.496 1.00 0.81 H new ATOM 0 HG23 VAL A 237 -13.743 5.043 6.113 1.00 0.81 H new ATOM 992 N ALA A 238 -11.956 5.608 1.877 1.00 0.53 N ATOM 993 CA ALA A 238 -11.481 6.109 0.552 1.00 0.63 C ATOM 994 C ALA A 238 -11.529 5.001 -0.501 1.00 0.82 C ATOM 995 O ALA A 238 -11.873 5.232 -1.643 1.00 1.22 O ATOM 996 CB ALA A 238 -10.031 6.578 0.703 1.00 0.60 C ATOM 0 H ALA A 238 -11.285 5.712 2.638 1.00 0.53 H new ATOM 0 HA ALA A 238 -12.128 6.925 0.230 1.00 0.63 H new ATOM 0 HB1 ALA A 238 -9.666 6.948 -0.255 1.00 0.60 H new ATOM 0 HB2 ALA A 238 -9.982 7.377 1.443 1.00 0.60 H new ATOM 0 HB3 ALA A 238 -9.411 5.743 1.030 1.00 0.60 H new ATOM 1002 N CYS A 239 -11.168 3.814 -0.135 1.00 0.93 N ATOM 1003 CA CYS A 239 -11.167 2.695 -1.114 1.00 1.24 C ATOM 1004 C CYS A 239 -12.601 2.267 -1.448 1.00 0.93 C ATOM 1005 O CYS A 239 -13.054 2.348 -2.573 1.00 1.05 O ATOM 1006 CB CYS A 239 -10.419 1.515 -0.472 1.00 1.79 C ATOM 1007 SG CYS A 239 -9.442 0.655 -1.712 1.00 2.84 S ATOM 0 H CYS A 239 -10.870 3.563 0.808 1.00 0.93 H new ATOM 0 HA CYS A 239 -10.683 3.012 -2.038 1.00 1.24 H new ATOM 0 HB2 CYS A 239 -9.771 1.876 0.327 1.00 1.79 H new ATOM 0 HB3 CYS A 239 -11.131 0.827 -0.017 1.00 1.79 H new ATOM 0 HG CYS A 239 -8.267 0.383 -1.227 1.00 2.84 H new ATOM 1013 N ARG A 240 -13.283 1.768 -0.466 1.00 0.91 N ATOM 1014 CA ARG A 240 -14.664 1.259 -0.659 1.00 1.08 C ATOM 1015 C ARG A 240 -15.688 2.383 -0.671 1.00 1.17 C ATOM 1016 O ARG A 240 -16.863 2.120 -0.559 1.00 1.74 O ATOM 1017 CB ARG A 240 -15.005 0.359 0.513 1.00 1.49 C ATOM 1018 CG ARG A 240 -13.953 -0.739 0.660 1.00 1.75 C ATOM 1019 CD ARG A 240 -14.229 -1.546 1.939 1.00 2.66 C ATOM 1020 NE ARG A 240 -14.392 -2.976 1.528 1.00 3.12 N ATOM 1021 CZ ARG A 240 -15.121 -3.797 2.209 1.00 3.61 C ATOM 1022 NH1 ARG A 240 -15.983 -3.338 3.075 1.00 3.73 N ATOM 1023 NH2 ARG A 240 -15.041 -5.077 1.983 1.00 4.39 N ATOM 0 H ARG A 240 -12.933 1.689 0.489 1.00 0.91 H new ATOM 0 HA ARG A 240 -14.698 0.737 -1.615 1.00 1.08 H new ATOM 0 HB2 ARG A 240 -15.057 0.947 1.429 1.00 1.49 H new ATOM 0 HB3 ARG A 240 -15.988 -0.087 0.364 1.00 1.49 H new ATOM 0 HG2 ARG A 240 -13.974 -1.396 -0.209 1.00 1.75 H new ATOM 0 HG3 ARG A 240 -12.957 -0.299 0.703 1.00 1.75 H new ATOM 0 HD2 ARG A 240 -13.407 -1.440 2.647 1.00 2.66 H new ATOM 0 HD3 ARG A 240 -15.128 -1.183 2.437 1.00 2.66 H new ATOM 0 HE ARG A 240 -13.916 -3.310 0.690 1.00 3.12 H new ATOM 0 HH11 ARG A 240 -16.081 -2.332 3.213 1.00 3.73 H new ATOM 0 HH12 ARG A 240 -16.559 -3.985 3.613 1.00 3.73 H new ATOM 0 HH21 ARG A 240 -14.404 -5.430 1.269 1.00 4.39 H new ATOM 0 HH22 ARG A 240 -15.616 -5.727 2.520 1.00 4.39 H new ATOM 1037 N GLU A 241 -15.283 3.621 -0.766 1.00 1.21 N ATOM 1038 CA GLU A 241 -16.300 4.717 -0.742 1.00 1.51 C ATOM 1039 C GLU A 241 -17.432 4.383 -1.724 1.00 1.85 C ATOM 1040 O GLU A 241 -17.398 4.766 -2.876 1.00 2.37 O ATOM 1041 CB GLU A 241 -15.664 6.052 -1.153 1.00 2.20 C ATOM 1042 CG GLU A 241 -16.570 7.197 -0.697 1.00 2.96 C ATOM 1043 CD GLU A 241 -15.964 8.535 -1.119 1.00 3.90 C ATOM 1044 OE1 GLU A 241 -14.777 8.563 -1.401 1.00 4.37 O ATOM 1045 OE2 GLU A 241 -16.700 9.506 -1.164 1.00 4.50 O ATOM 0 H GLU A 241 -14.312 3.920 -0.858 1.00 1.21 H new ATOM 0 HA GLU A 241 -16.692 4.806 0.271 1.00 1.51 H new ATOM 0 HB2 GLU A 241 -14.676 6.152 -0.704 1.00 2.20 H new ATOM 0 HB3 GLU A 241 -15.528 6.087 -2.234 1.00 2.20 H new ATOM 0 HG2 GLU A 241 -17.563 7.083 -1.133 1.00 2.96 H new ATOM 0 HG3 GLU A 241 -16.692 7.168 0.386 1.00 2.96 H new ATOM 1052 N GLY A 242 -18.429 3.664 -1.271 1.00 2.43 N ATOM 1053 CA GLY A 242 -19.570 3.281 -2.158 1.00 3.28 C ATOM 1054 C GLY A 242 -20.807 4.086 -1.765 1.00 3.54 C ATOM 1055 O GLY A 242 -20.723 5.044 -1.024 1.00 3.82 O ATOM 0 H GLY A 242 -18.501 3.322 -0.313 1.00 2.43 H new ATOM 0 HA2 GLY A 242 -19.315 3.471 -3.201 1.00 3.28 H new ATOM 0 HA3 GLY A 242 -19.773 2.214 -2.069 1.00 3.28 H new TER 1059 GLY A 242 END