USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) HEADER APOPTOSIS 18-DEC-97 1A1W TITLE FADD DEATH EFFECTOR DOMAIN, F25Y MUTANT, NMR MINIMIZED TITLE 2 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: FADD PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: DEATH EFFECTOR DOMAIN; COMPND 5 SYNONYM: FAS-ASSOCIATING DEATH DOMAIN-CONTAINING PROTEIN; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HMS174 (DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PROKARYOTIC; SOURCE 9 OTHER_DETAILS: SYNTHETIC GENE KEYWDS APOPTOSIS, DEATH EFFECTOR DOMAIN EXPDTA SOLUTION NMR AUTHOR M.EBERSTADT,B.HUANG,Z.CHEN,R.P.MEADOWS,C.NG,S.W.FESIK REVDAT 3 24-FEB-09 1A1W 1 VERSN REVDAT 2 16-FEB-99 1A1W 1 SOURCE COMPND REMARK JRNL REVDAT 2 2 1 EXPDTA KEYWDS HEADER REVDAT 1 30-DEC-98 1A1W 0 JRNL AUTH M.EBERSTADT,B.HUANG,Z.CHEN,R.P.MEADOWS,S.C.NG, JRNL AUTH 2 L.ZHENG,M.J.LENARDO,S.W.FESIK JRNL TITL NMR STRUCTURE AND MUTAGENESIS OF THE FADD (MORT1) JRNL TITL 2 DEATH-EFFECTOR DOMAIN. JRNL REF NATURE V. 392 941 1998 JRNL REFN ISSN 0028-0836 JRNL PMID 9582077 JRNL DOI 10.1038/31972 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1A1W 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) : 288 REMARK 210 PH : 4.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : SEE MANUSCRIPT REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : SEE MANUSCRIPT REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : DISTANCE GEOMETRY/ SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 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 LEU A 84 REMARK 465 GLU A 85 REMARK 465 HIS A 86 REMARK 465 HIS A 87 REMARK 465 HIS A 88 REMARK 465 HIS A 89 REMARK 465 HIS A 90 REMARK 465 HIS A 91 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 2 82.45 -175.61 REMARK 500 SER A 16 173.99 66.82 REMARK 500 LEU A 28 97.38 -54.79 REMARK 500 GLN A 40 -44.99 -156.00 REMARK 500 GLN A 52 97.68 -171.58 REMARK 500 ASN A 53 -72.54 -176.96 REMARK 500 ASP A 54 40.93 -167.41 REMARK 500 HIS A 59 91.64 -167.71 REMARK 500 HIS A 73 -46.73 -156.38 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 30 0.27 SIDE_CHAIN REMARK 500 ARG A 34 0.22 SIDE_CHAIN REMARK 500 ARG A 38 0.23 SIDE_CHAIN REMARK 500 ARG A 64 0.25 SIDE_CHAIN REMARK 500 ARG A 71 0.28 SIDE_CHAIN REMARK 500 ARG A 72 0.31 SIDE_CHAIN REMARK 500 ARG A 77 0.32 SIDE_CHAIN REMARK 500 ARG A 78 0.26 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1A1W A 1 83 UNP Q13158 FADD_HUMAN 1 83 SEQADV 1A1W TYR A 25 UNP Q13158 PHE 25 ENGINEERED SEQRES 1 A 91 MET ASP PRO PHE LEU VAL LEU LEU HIS SER VAL SER SER SEQRES 2 A 91 SER LEU SER SER SER GLU LEU THR GLU LEU LYS TYR LEU SEQRES 3 A 91 CYS LEU GLY ARG VAL GLY LYS ARG LYS LEU GLU ARG VAL SEQRES 4 A 91 GLN SER GLY LEU ASP LEU PHE SER MET LEU LEU GLU GLN SEQRES 5 A 91 ASN ASP LEU GLU PRO GLY HIS THR GLU LEU LEU ARG GLU SEQRES 6 A 91 LEU LEU ALA SER LEU ARG ARG HIS ASP LEU LEU ARG ARG SEQRES 7 A 91 VAL ASP ASP PHE GLU LEU GLU HIS HIS HIS HIS HIS HIS HELIX 1 1 PRO A 3 SER A 13 1 11 HELIX 2 2 SER A 16 ARG A 30 1 15 HELIX 3 3 ARG A 34 ARG A 38 1 5 HELIX 4 4 LEU A 43 GLU A 51 1 9 HELIX 5 5 GLU A 61 LEU A 70 1 10 HELIX 6 6 ASP A 74 ASP A 81 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00164) USER MOD Single : A 9 HIS : no HD1:sc= -0.0221 X(o=-0.022,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0396 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 96:sc= 1.24 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 86:sc= 0.219 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -160:sc= -0.759 (180deg=-1.9) USER MOD Single : A 52 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.38) USER MOD Single : A 53 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.41) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 67:sc= 1.02 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.658 X(o=-0.66,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.572 13.514 1.736 1.00 2.58 N ATOM 2 CA MET A 1 -11.476 12.493 1.136 1.00 2.29 C ATOM 3 C MET A 1 -10.646 11.478 0.348 1.00 1.59 C ATOM 4 O MET A 1 -10.143 11.769 -0.720 1.00 1.99 O ATOM 5 CB MET A 1 -12.469 13.182 0.197 1.00 3.05 C ATOM 6 CG MET A 1 -13.538 13.899 1.023 1.00 3.74 C ATOM 7 SD MET A 1 -15.133 13.075 0.794 1.00 4.70 S ATOM 8 CE MET A 1 -15.763 13.333 2.470 1.00 5.18 C ATOM 0 H1 MET A 1 -11.132 14.185 2.300 1.00 2.58 H new ATOM 0 H2 MET A 1 -9.875 13.044 2.349 1.00 2.58 H new ATOM 0 H3 MET A 1 -10.077 14.027 0.979 1.00 2.58 H new ATOM 0 HA MET A 1 -12.022 11.979 1.927 1.00 2.29 H new ATOM 0 HB2 MET A 1 -11.948 13.896 -0.441 1.00 3.05 H new ATOM 0 HB3 MET A 1 -12.934 12.447 -0.460 1.00 3.05 H new ATOM 0 HG2 MET A 1 -13.262 13.893 2.077 1.00 3.74 H new ATOM 0 HG3 MET A 1 -13.609 14.943 0.718 1.00 3.74 H new ATOM 0 HE1 MET A 1 -16.757 12.895 2.556 1.00 5.18 H new ATOM 0 HE2 MET A 1 -15.094 12.858 3.187 1.00 5.18 H new ATOM 0 HE3 MET A 1 -15.818 14.402 2.678 1.00 5.18 H new ATOM 20 N ASP A 2 -10.497 10.289 0.866 1.00 1.18 N ATOM 21 CA ASP A 2 -9.697 9.257 0.147 1.00 0.67 C ATOM 22 C ASP A 2 -9.772 7.929 0.912 1.00 0.59 C ATOM 23 O ASP A 2 -8.882 7.604 1.675 1.00 0.59 O ATOM 24 CB ASP A 2 -8.240 9.715 0.064 1.00 1.09 C ATOM 25 CG ASP A 2 -7.465 8.784 -0.872 1.00 0.79 C ATOM 26 OD1 ASP A 2 -8.004 7.747 -1.223 1.00 0.64 O ATOM 27 OD2 ASP A 2 -6.346 9.124 -1.221 1.00 1.32 O ATOM 0 H ASP A 2 -10.895 9.988 1.756 1.00 1.18 H new ATOM 0 HA ASP A 2 -10.095 9.120 -0.858 1.00 0.67 H new ATOM 0 HB2 ASP A 2 -8.190 10.740 -0.302 1.00 1.09 H new ATOM 0 HB3 ASP A 2 -7.789 9.709 1.056 1.00 1.09 H new ATOM 32 N PRO A 3 -10.836 7.203 0.683 1.00 0.58 N ATOM 33 CA PRO A 3 -11.074 5.907 1.327 1.00 0.54 C ATOM 34 C PRO A 3 -9.816 5.037 1.268 1.00 0.44 C ATOM 35 O PRO A 3 -9.472 4.369 2.223 1.00 0.44 O ATOM 36 CB PRO A 3 -12.201 5.254 0.537 1.00 0.63 C ATOM 37 CG PRO A 3 -12.951 6.465 -0.064 1.00 0.73 C ATOM 38 CD PRO A 3 -11.916 7.604 -0.245 1.00 0.65 C ATOM 0 HA PRO A 3 -11.332 6.027 2.379 1.00 0.54 H new ATOM 0 HB2 PRO A 3 -11.818 4.591 -0.239 1.00 0.63 H new ATOM 0 HB3 PRO A 3 -12.849 4.655 1.177 1.00 0.63 H new ATOM 0 HG2 PRO A 3 -13.403 6.201 -1.020 1.00 0.73 H new ATOM 0 HG3 PRO A 3 -13.760 6.782 0.595 1.00 0.73 H new ATOM 0 HD2 PRO A 3 -11.563 7.672 -1.274 1.00 0.65 H new ATOM 0 HD3 PRO A 3 -12.333 8.577 0.014 1.00 0.65 H new ATOM 46 N PHE A 4 -9.129 5.031 0.159 1.00 0.40 N ATOM 47 CA PHE A 4 -7.903 4.191 0.059 1.00 0.34 C ATOM 48 C PHE A 4 -6.842 4.696 1.039 1.00 0.31 C ATOM 49 O PHE A 4 -6.192 3.918 1.703 1.00 0.29 O ATOM 50 CB PHE A 4 -7.350 4.237 -1.366 1.00 0.37 C ATOM 51 CG PHE A 4 -6.856 2.860 -1.743 1.00 0.33 C ATOM 52 CD1 PHE A 4 -5.766 2.300 -1.066 1.00 1.25 C ATOM 53 CD2 PHE A 4 -7.494 2.140 -2.760 1.00 1.15 C ATOM 54 CE1 PHE A 4 -5.311 1.020 -1.409 1.00 1.24 C ATOM 55 CE2 PHE A 4 -7.040 0.859 -3.101 1.00 1.16 C ATOM 56 CZ PHE A 4 -5.949 0.299 -2.426 1.00 0.33 C ATOM 0 H PHE A 4 -9.361 5.567 -0.677 1.00 0.40 H new ATOM 0 HA PHE A 4 -8.161 3.162 0.309 1.00 0.34 H new ATOM 0 HB2 PHE A 4 -8.124 4.563 -2.061 1.00 0.37 H new ATOM 0 HB3 PHE A 4 -6.537 4.960 -1.432 1.00 0.37 H new ATOM 0 HD1 PHE A 4 -5.276 2.855 -0.279 1.00 1.25 H new ATOM 0 HD2 PHE A 4 -8.336 2.572 -3.281 1.00 1.15 H new ATOM 0 HE1 PHE A 4 -4.468 0.589 -0.889 1.00 1.24 H new ATOM 0 HE2 PHE A 4 -7.532 0.303 -3.885 1.00 1.16 H new ATOM 0 HZ PHE A 4 -5.600 -0.688 -2.689 1.00 0.33 H new ATOM 66 N LEU A 5 -6.658 5.986 1.138 1.00 0.36 N ATOM 67 CA LEU A 5 -5.631 6.517 2.083 1.00 0.39 C ATOM 68 C LEU A 5 -5.902 5.967 3.485 1.00 0.35 C ATOM 69 O LEU A 5 -5.004 5.515 4.169 1.00 0.34 O ATOM 70 CB LEU A 5 -5.695 8.045 2.112 1.00 0.49 C ATOM 71 CG LEU A 5 -4.285 8.617 1.953 1.00 0.67 C ATOM 72 CD1 LEU A 5 -4.372 10.100 1.586 1.00 0.87 C ATOM 73 CD2 LEU A 5 -3.520 8.462 3.269 1.00 1.22 C ATOM 0 H LEU A 5 -7.171 6.692 0.609 1.00 0.36 H new ATOM 0 HA LEU A 5 -4.640 6.207 1.753 1.00 0.39 H new ATOM 0 HB2 LEU A 5 -6.339 8.408 1.311 1.00 0.49 H new ATOM 0 HB3 LEU A 5 -6.133 8.384 3.051 1.00 0.49 H new ATOM 0 HG LEU A 5 -3.763 8.078 1.163 1.00 0.67 H new ATOM 0 HD11 LEU A 5 -3.367 10.506 1.473 1.00 0.87 H new ATOM 0 HD12 LEU A 5 -4.916 10.211 0.648 1.00 0.87 H new ATOM 0 HD13 LEU A 5 -4.895 10.640 2.375 1.00 0.87 H new ATOM 0 HD21 LEU A 5 -2.515 8.869 3.156 1.00 1.22 H new ATOM 0 HD22 LEU A 5 -4.043 9.000 4.059 1.00 1.22 H new ATOM 0 HD23 LEU A 5 -3.456 7.406 3.530 1.00 1.22 H new ATOM 85 N VAL A 6 -7.133 5.996 3.917 1.00 0.37 N ATOM 86 CA VAL A 6 -7.455 5.466 5.272 1.00 0.37 C ATOM 87 C VAL A 6 -7.151 3.968 5.302 1.00 0.31 C ATOM 88 O VAL A 6 -6.752 3.420 6.311 1.00 0.33 O ATOM 89 CB VAL A 6 -8.938 5.693 5.572 1.00 0.44 C ATOM 90 CG1 VAL A 6 -9.423 4.645 6.576 1.00 0.55 C ATOM 91 CG2 VAL A 6 -9.130 7.091 6.165 1.00 0.55 C ATOM 0 H VAL A 6 -7.927 6.362 3.392 1.00 0.37 H new ATOM 0 HA VAL A 6 -6.855 5.981 6.022 1.00 0.37 H new ATOM 0 HB VAL A 6 -9.512 5.606 4.649 1.00 0.44 H new ATOM 0 HG11 VAL A 6 -10.480 4.807 6.789 1.00 0.55 H new ATOM 0 HG12 VAL A 6 -9.286 3.648 6.156 1.00 0.55 H new ATOM 0 HG13 VAL A 6 -8.849 4.732 7.499 1.00 0.55 H new ATOM 0 HG21 VAL A 6 -10.186 7.254 6.379 1.00 0.55 H new ATOM 0 HG22 VAL A 6 -8.555 7.177 7.087 1.00 0.55 H new ATOM 0 HG23 VAL A 6 -8.785 7.839 5.452 1.00 0.55 H new ATOM 101 N LEU A 7 -7.337 3.303 4.195 1.00 0.28 N ATOM 102 CA LEU A 7 -7.062 1.840 4.139 1.00 0.28 C ATOM 103 C LEU A 7 -5.561 1.594 4.315 1.00 0.25 C ATOM 104 O LEU A 7 -5.145 0.557 4.790 1.00 0.27 O ATOM 105 CB LEU A 7 -7.513 1.297 2.781 1.00 0.32 C ATOM 106 CG LEU A 7 -7.329 -0.221 2.742 1.00 0.37 C ATOM 107 CD1 LEU A 7 -8.577 -0.900 3.304 1.00 0.48 C ATOM 108 CD2 LEU A 7 -7.116 -0.666 1.294 1.00 0.41 C ATOM 0 H LEU A 7 -7.670 3.713 3.322 1.00 0.28 H new ATOM 0 HA LEU A 7 -7.606 1.334 4.936 1.00 0.28 H new ATOM 0 HB2 LEU A 7 -8.559 1.550 2.607 1.00 0.32 H new ATOM 0 HB3 LEU A 7 -6.935 1.763 1.983 1.00 0.32 H new ATOM 0 HG LEU A 7 -6.463 -0.500 3.342 1.00 0.37 H new ATOM 0 HD11 LEU A 7 -8.446 -1.982 3.276 1.00 0.48 H new ATOM 0 HD12 LEU A 7 -8.733 -0.580 4.334 1.00 0.48 H new ATOM 0 HD13 LEU A 7 -9.443 -0.624 2.703 1.00 0.48 H new ATOM 0 HD21 LEU A 7 -6.984 -1.748 1.261 1.00 0.41 H new ATOM 0 HD22 LEU A 7 -7.984 -0.388 0.696 1.00 0.41 H new ATOM 0 HD23 LEU A 7 -6.227 -0.180 0.891 1.00 0.41 H new ATOM 120 N LEU A 8 -4.743 2.536 3.935 1.00 0.25 N ATOM 121 CA LEU A 8 -3.275 2.347 4.082 1.00 0.28 C ATOM 122 C LEU A 8 -2.868 2.628 5.528 1.00 0.28 C ATOM 123 O LEU A 8 -1.931 2.052 6.044 1.00 0.31 O ATOM 124 CB LEU A 8 -2.544 3.304 3.142 1.00 0.34 C ATOM 125 CG LEU A 8 -3.021 3.056 1.713 1.00 0.38 C ATOM 126 CD1 LEU A 8 -2.323 4.026 0.760 1.00 0.46 C ATOM 127 CD2 LEU A 8 -2.694 1.616 1.311 1.00 0.42 C ATOM 0 H LEU A 8 -5.028 3.427 3.530 1.00 0.25 H new ATOM 0 HA LEU A 8 -3.010 1.321 3.828 1.00 0.28 H new ATOM 0 HB2 LEU A 8 -2.739 4.337 3.430 1.00 0.34 H new ATOM 0 HB3 LEU A 8 -1.467 3.151 3.212 1.00 0.34 H new ATOM 0 HG LEU A 8 -4.098 3.214 1.658 1.00 0.38 H new ATOM 0 HD11 LEU A 8 -2.666 3.846 -0.259 1.00 0.46 H new ATOM 0 HD12 LEU A 8 -2.559 5.051 1.046 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -1.245 3.874 0.812 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -3.034 1.437 0.291 1.00 0.42 H new ATOM 0 HD22 LEU A 8 -1.617 1.458 1.368 1.00 0.42 H new ATOM 0 HD23 LEU A 8 -3.198 0.926 1.988 1.00 0.42 H new ATOM 139 N HIS A 9 -3.567 3.510 6.188 1.00 0.30 N ATOM 140 CA HIS A 9 -3.221 3.826 7.602 1.00 0.36 C ATOM 141 C HIS A 9 -3.586 2.636 8.493 1.00 0.35 C ATOM 142 O HIS A 9 -2.947 2.379 9.494 1.00 0.42 O ATOM 143 CB HIS A 9 -4.000 5.061 8.057 1.00 0.41 C ATOM 144 CG HIS A 9 -3.594 5.421 9.459 1.00 0.64 C ATOM 145 ND1 HIS A 9 -4.490 5.948 10.376 1.00 1.47 N ATOM 146 CD2 HIS A 9 -2.393 5.332 10.118 1.00 1.31 C ATOM 147 CE1 HIS A 9 -3.821 6.154 11.525 1.00 1.53 C ATOM 148 NE2 HIS A 9 -2.538 5.796 11.422 1.00 1.37 N ATOM 0 H HIS A 9 -4.362 4.025 5.810 1.00 0.30 H new ATOM 0 HA HIS A 9 -2.152 4.025 7.678 1.00 0.36 H new ATOM 0 HB2 HIS A 9 -3.804 5.896 7.384 1.00 0.41 H new ATOM 0 HB3 HIS A 9 -5.071 4.864 8.016 1.00 0.41 H new ATOM 0 HD2 HIS A 9 -1.475 4.958 9.689 1.00 1.31 H new ATOM 0 HE1 HIS A 9 -4.267 6.559 12.421 1.00 1.53 H new ATOM 0 HE2 HIS A 9 -1.819 5.851 12.144 1.00 1.37 H new ATOM 156 N SER A 10 -4.608 1.906 8.136 1.00 0.34 N ATOM 157 CA SER A 10 -5.012 0.734 8.964 1.00 0.39 C ATOM 158 C SER A 10 -4.099 -0.455 8.652 1.00 0.33 C ATOM 159 O SER A 10 -3.475 -1.017 9.530 1.00 0.34 O ATOM 160 CB SER A 10 -6.460 0.360 8.647 1.00 0.52 C ATOM 161 OG SER A 10 -7.330 1.062 9.525 1.00 1.35 O ATOM 0 H SER A 10 -5.180 2.070 7.308 1.00 0.34 H new ATOM 0 HA SER A 10 -4.925 0.991 10.020 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.693 0.607 7.611 1.00 0.52 H new ATOM 0 HB3 SER A 10 -6.603 -0.715 8.758 1.00 0.52 H new ATOM 0 HG SER A 10 -8.259 0.825 9.323 1.00 1.35 H new ATOM 167 N VAL A 11 -4.019 -0.844 7.409 1.00 0.39 N ATOM 168 CA VAL A 11 -3.148 -1.997 7.041 1.00 0.38 C ATOM 169 C VAL A 11 -1.700 -1.712 7.455 1.00 0.31 C ATOM 170 O VAL A 11 -0.918 -2.619 7.659 1.00 0.35 O ATOM 171 CB VAL A 11 -3.210 -2.223 5.529 1.00 0.49 C ATOM 172 CG1 VAL A 11 -4.639 -2.588 5.122 1.00 1.06 C ATOM 173 CG2 VAL A 11 -2.788 -0.944 4.804 1.00 1.11 C ATOM 0 H VAL A 11 -4.519 -0.413 6.632 1.00 0.39 H new ATOM 0 HA VAL A 11 -3.500 -2.889 7.559 1.00 0.38 H new ATOM 0 HB VAL A 11 -2.536 -3.036 5.258 1.00 0.49 H new ATOM 0 HG11 VAL A 11 -4.681 -2.748 4.045 1.00 1.06 H new ATOM 0 HG12 VAL A 11 -4.942 -3.500 5.637 1.00 1.06 H new ATOM 0 HG13 VAL A 11 -5.313 -1.776 5.394 1.00 1.06 H new ATOM 0 HG21 VAL A 11 -2.832 -1.105 3.727 1.00 1.11 H new ATOM 0 HG22 VAL A 11 -3.461 -0.132 5.077 1.00 1.11 H new ATOM 0 HG23 VAL A 11 -1.769 -0.683 5.090 1.00 1.11 H new ATOM 183 N SER A 12 -1.333 -0.465 7.582 1.00 0.29 N ATOM 184 CA SER A 12 0.066 -0.140 7.983 1.00 0.33 C ATOM 185 C SER A 12 0.368 -0.779 9.340 1.00 0.32 C ATOM 186 O SER A 12 1.436 -1.314 9.562 1.00 0.38 O ATOM 187 CB SER A 12 0.229 1.377 8.086 1.00 0.42 C ATOM 188 OG SER A 12 1.511 1.675 8.624 1.00 0.91 O ATOM 0 H SER A 12 -1.939 0.340 7.426 1.00 0.29 H new ATOM 0 HA SER A 12 0.758 -0.529 7.236 1.00 0.33 H new ATOM 0 HB2 SER A 12 0.119 1.834 7.103 1.00 0.42 H new ATOM 0 HB3 SER A 12 -0.551 1.796 8.721 1.00 0.42 H new ATOM 0 HG SER A 12 1.620 2.647 8.690 1.00 0.91 H new ATOM 194 N SER A 13 -0.565 -0.728 10.250 1.00 0.31 N ATOM 195 CA SER A 13 -0.333 -1.331 11.594 1.00 0.36 C ATOM 196 C SER A 13 -0.270 -2.858 11.476 1.00 0.35 C ATOM 197 O SER A 13 0.341 -3.524 12.287 1.00 0.39 O ATOM 198 CB SER A 13 -1.477 -0.942 12.530 1.00 0.42 C ATOM 199 OG SER A 13 -2.003 0.317 12.132 1.00 1.22 O ATOM 0 H SER A 13 -1.479 -0.294 10.121 1.00 0.31 H new ATOM 0 HA SER A 13 0.611 -0.962 11.994 1.00 0.36 H new ATOM 0 HB2 SER A 13 -2.259 -1.701 12.502 1.00 0.42 H new ATOM 0 HB3 SER A 13 -1.119 -0.891 13.558 1.00 0.42 H new ATOM 0 HG SER A 13 -2.738 0.568 12.730 1.00 1.22 H new ATOM 205 N SER A 14 -0.897 -3.419 10.475 1.00 0.33 N ATOM 206 CA SER A 14 -0.867 -4.902 10.318 1.00 0.36 C ATOM 207 C SER A 14 0.335 -5.328 9.461 1.00 0.34 C ATOM 208 O SER A 14 0.409 -6.453 9.008 1.00 0.48 O ATOM 209 CB SER A 14 -2.159 -5.366 9.644 1.00 0.41 C ATOM 210 OG SER A 14 -2.733 -6.419 10.407 1.00 1.10 O ATOM 0 H SER A 14 -1.426 -2.916 9.763 1.00 0.33 H new ATOM 0 HA SER A 14 -0.776 -5.358 11.304 1.00 0.36 H new ATOM 0 HB2 SER A 14 -2.860 -4.535 9.564 1.00 0.41 H new ATOM 0 HB3 SER A 14 -1.952 -5.707 8.630 1.00 0.41 H new ATOM 0 HG SER A 14 -3.562 -6.718 9.979 1.00 1.10 H new ATOM 216 N LEU A 15 1.279 -4.451 9.235 1.00 0.30 N ATOM 217 CA LEU A 15 2.463 -4.829 8.413 1.00 0.28 C ATOM 218 C LEU A 15 3.661 -5.036 9.341 1.00 0.29 C ATOM 219 O LEU A 15 4.406 -5.987 9.212 1.00 0.30 O ATOM 220 CB LEU A 15 2.773 -3.710 7.415 1.00 0.28 C ATOM 221 CG LEU A 15 1.841 -3.829 6.209 1.00 0.33 C ATOM 222 CD1 LEU A 15 1.548 -2.435 5.652 1.00 0.38 C ATOM 223 CD2 LEU A 15 2.513 -4.678 5.127 1.00 0.46 C ATOM 0 H LEU A 15 1.280 -3.493 9.584 1.00 0.30 H new ATOM 0 HA LEU A 15 2.256 -5.748 7.865 1.00 0.28 H new ATOM 0 HB2 LEU A 15 2.646 -2.738 7.891 1.00 0.28 H new ATOM 0 HB3 LEU A 15 3.812 -3.774 7.092 1.00 0.28 H new ATOM 0 HG LEU A 15 0.908 -4.302 6.516 1.00 0.33 H new ATOM 0 HD11 LEU A 15 0.884 -2.519 4.792 1.00 0.38 H new ATOM 0 HD12 LEU A 15 1.070 -1.829 6.422 1.00 0.38 H new ATOM 0 HD13 LEU A 15 2.481 -1.962 5.345 1.00 0.38 H new ATOM 0 HD21 LEU A 15 1.849 -4.763 4.267 1.00 0.46 H new ATOM 0 HD22 LEU A 15 3.446 -4.205 4.820 1.00 0.46 H new ATOM 0 HD23 LEU A 15 2.724 -5.672 5.523 1.00 0.46 H new ATOM 235 N SER A 16 3.845 -4.147 10.278 1.00 0.34 N ATOM 236 CA SER A 16 4.985 -4.274 11.228 1.00 0.41 C ATOM 237 C SER A 16 6.301 -4.088 10.475 1.00 0.39 C ATOM 238 O SER A 16 6.327 -3.982 9.266 1.00 0.36 O ATOM 239 CB SER A 16 4.958 -5.659 11.876 1.00 0.44 C ATOM 240 OG SER A 16 4.818 -5.516 13.283 1.00 1.10 O ATOM 0 H SER A 16 3.250 -3.332 10.427 1.00 0.34 H new ATOM 0 HA SER A 16 4.899 -3.510 12.001 1.00 0.41 H new ATOM 0 HB2 SER A 16 4.131 -6.245 11.474 1.00 0.44 H new ATOM 0 HB3 SER A 16 5.875 -6.200 11.643 1.00 0.44 H new ATOM 0 HG SER A 16 4.799 -6.402 13.702 1.00 1.10 H new ATOM 246 N SER A 17 7.395 -4.050 11.183 1.00 0.43 N ATOM 247 CA SER A 17 8.712 -3.874 10.512 1.00 0.44 C ATOM 248 C SER A 17 9.010 -5.083 9.614 1.00 0.41 C ATOM 249 O SER A 17 9.880 -5.033 8.769 1.00 0.42 O ATOM 250 CB SER A 17 9.807 -3.748 11.572 1.00 0.52 C ATOM 251 OG SER A 17 10.856 -2.930 11.071 1.00 1.32 O ATOM 0 H SER A 17 7.434 -4.133 12.199 1.00 0.43 H new ATOM 0 HA SER A 17 8.684 -2.973 9.900 1.00 0.44 H new ATOM 0 HB2 SER A 17 9.397 -3.315 12.485 1.00 0.52 H new ATOM 0 HB3 SER A 17 10.192 -4.734 11.832 1.00 0.52 H new ATOM 0 HG SER A 17 11.558 -2.847 11.749 1.00 1.32 H new ATOM 257 N SER A 18 8.303 -6.172 9.788 1.00 0.40 N ATOM 258 CA SER A 18 8.562 -7.369 8.940 1.00 0.41 C ATOM 259 C SER A 18 8.074 -7.115 7.511 1.00 0.35 C ATOM 260 O SER A 18 8.842 -7.158 6.570 1.00 0.35 O ATOM 261 CB SER A 18 7.823 -8.573 9.524 1.00 0.45 C ATOM 262 OG SER A 18 8.768 -9.561 9.913 1.00 1.28 O ATOM 0 H SER A 18 7.561 -6.281 10.479 1.00 0.40 H new ATOM 0 HA SER A 18 9.633 -7.569 8.920 1.00 0.41 H new ATOM 0 HB2 SER A 18 7.226 -8.266 10.383 1.00 0.45 H new ATOM 0 HB3 SER A 18 7.133 -8.983 8.787 1.00 0.45 H new ATOM 0 HG SER A 18 8.297 -10.334 10.290 1.00 1.28 H new ATOM 268 N GLU A 19 6.806 -6.854 7.333 1.00 0.32 N ATOM 269 CA GLU A 19 6.290 -6.606 5.955 1.00 0.29 C ATOM 270 C GLU A 19 6.918 -5.329 5.393 1.00 0.27 C ATOM 271 O GLU A 19 7.175 -5.222 4.211 1.00 0.29 O ATOM 272 CB GLU A 19 4.767 -6.455 5.992 1.00 0.29 C ATOM 273 CG GLU A 19 4.144 -7.709 6.610 1.00 0.38 C ATOM 274 CD GLU A 19 4.396 -8.909 5.696 1.00 1.16 C ATOM 275 OE1 GLU A 19 3.868 -8.912 4.596 1.00 1.90 O ATOM 276 OE2 GLU A 19 5.113 -9.805 6.111 1.00 1.86 O ATOM 0 H GLU A 19 6.110 -6.802 8.076 1.00 0.32 H new ATOM 0 HA GLU A 19 6.552 -7.450 5.317 1.00 0.29 H new ATOM 0 HB2 GLU A 19 4.492 -5.575 6.574 1.00 0.29 H new ATOM 0 HB3 GLU A 19 4.381 -6.304 4.984 1.00 0.29 H new ATOM 0 HG2 GLU A 19 4.573 -7.893 7.595 1.00 0.38 H new ATOM 0 HG3 GLU A 19 3.073 -7.564 6.750 1.00 0.38 H new ATOM 283 N LEU A 20 7.168 -4.360 6.228 1.00 0.28 N ATOM 284 CA LEU A 20 7.780 -3.095 5.735 1.00 0.28 C ATOM 285 C LEU A 20 9.202 -3.378 5.243 1.00 0.28 C ATOM 286 O LEU A 20 9.691 -2.749 4.325 1.00 0.27 O ATOM 287 CB LEU A 20 7.827 -2.073 6.873 1.00 0.33 C ATOM 288 CG LEU A 20 8.399 -0.753 6.354 1.00 0.35 C ATOM 289 CD1 LEU A 20 7.382 -0.085 5.429 1.00 0.47 C ATOM 290 CD2 LEU A 20 8.696 0.172 7.536 1.00 0.47 C ATOM 0 H LEU A 20 6.975 -4.389 7.229 1.00 0.28 H new ATOM 0 HA LEU A 20 7.183 -2.696 4.915 1.00 0.28 H new ATOM 0 HB2 LEU A 20 6.826 -1.914 7.274 1.00 0.33 H new ATOM 0 HB3 LEU A 20 8.442 -2.451 7.690 1.00 0.33 H new ATOM 0 HG LEU A 20 9.319 -0.947 5.803 1.00 0.35 H new ATOM 0 HD11 LEU A 20 7.790 0.856 5.059 1.00 0.47 H new ATOM 0 HD12 LEU A 20 7.168 -0.744 4.587 1.00 0.47 H new ATOM 0 HD13 LEU A 20 6.462 0.110 5.980 1.00 0.47 H new ATOM 0 HD21 LEU A 20 9.104 1.113 7.168 1.00 0.47 H new ATOM 0 HD22 LEU A 20 7.775 0.366 8.086 1.00 0.47 H new ATOM 0 HD23 LEU A 20 9.421 -0.303 8.197 1.00 0.47 H new ATOM 302 N THR A 21 9.868 -4.324 5.848 1.00 0.32 N ATOM 303 CA THR A 21 11.257 -4.652 5.421 1.00 0.34 C ATOM 304 C THR A 21 11.221 -5.384 4.078 1.00 0.30 C ATOM 305 O THR A 21 12.108 -5.243 3.261 1.00 0.30 O ATOM 306 CB THR A 21 11.915 -5.548 6.473 1.00 0.41 C ATOM 307 OG1 THR A 21 12.252 -4.770 7.613 1.00 0.61 O ATOM 308 CG2 THR A 21 13.180 -6.179 5.890 1.00 0.59 C ATOM 0 H THR A 21 9.509 -4.884 6.621 1.00 0.32 H new ATOM 0 HA THR A 21 11.831 -3.731 5.316 1.00 0.34 H new ATOM 0 HB THR A 21 11.221 -6.336 6.764 1.00 0.41 H new ATOM 0 HG1 THR A 21 11.538 -4.841 8.280 1.00 0.61 H new ATOM 0 HG21 THR A 21 13.647 -6.817 6.640 1.00 0.59 H new ATOM 0 HG22 THR A 21 12.919 -6.777 5.017 1.00 0.59 H new ATOM 0 HG23 THR A 21 13.876 -5.393 5.597 1.00 0.59 H new ATOM 316 N GLU A 22 10.204 -6.167 3.844 1.00 0.29 N ATOM 317 CA GLU A 22 10.118 -6.906 2.552 1.00 0.29 C ATOM 318 C GLU A 22 9.827 -5.920 1.418 1.00 0.25 C ATOM 319 O GLU A 22 10.632 -5.730 0.527 1.00 0.26 O ATOM 320 CB GLU A 22 8.993 -7.940 2.628 1.00 0.32 C ATOM 321 CG GLU A 22 9.219 -8.852 3.836 1.00 0.35 C ATOM 322 CD GLU A 22 10.431 -9.750 3.581 1.00 0.36 C ATOM 323 OE1 GLU A 22 10.433 -10.437 2.573 1.00 1.18 O ATOM 324 OE2 GLU A 22 11.336 -9.736 4.399 1.00 1.06 O ATOM 0 H GLU A 22 9.431 -6.327 4.489 1.00 0.29 H new ATOM 0 HA GLU A 22 11.064 -7.412 2.361 1.00 0.29 H new ATOM 0 HB2 GLU A 22 8.029 -7.439 2.713 1.00 0.32 H new ATOM 0 HB3 GLU A 22 8.965 -8.531 1.713 1.00 0.32 H new ATOM 0 HG2 GLU A 22 9.380 -8.253 4.732 1.00 0.35 H new ATOM 0 HG3 GLU A 22 8.333 -9.462 4.015 1.00 0.35 H new ATOM 331 N LEU A 23 8.682 -5.294 1.442 1.00 0.24 N ATOM 332 CA LEU A 23 8.339 -4.323 0.365 1.00 0.25 C ATOM 333 C LEU A 23 9.447 -3.272 0.243 1.00 0.22 C ATOM 334 O LEU A 23 9.650 -2.696 -0.807 1.00 0.22 O ATOM 335 CB LEU A 23 7.012 -3.636 0.700 1.00 0.27 C ATOM 336 CG LEU A 23 5.870 -4.365 -0.011 1.00 0.55 C ATOM 337 CD1 LEU A 23 5.419 -5.557 0.835 1.00 1.28 C ATOM 338 CD2 LEU A 23 4.693 -3.406 -0.209 1.00 0.54 C ATOM 0 H LEU A 23 7.969 -5.413 2.162 1.00 0.24 H new ATOM 0 HA LEU A 23 8.244 -4.854 -0.582 1.00 0.25 H new ATOM 0 HB2 LEU A 23 6.848 -3.643 1.778 1.00 0.27 H new ATOM 0 HB3 LEU A 23 7.041 -2.592 0.389 1.00 0.27 H new ATOM 0 HG LEU A 23 6.217 -4.719 -0.982 1.00 0.55 H new ATOM 0 HD11 LEU A 23 4.605 -6.076 0.328 1.00 1.28 H new ATOM 0 HD12 LEU A 23 6.256 -6.242 0.974 1.00 1.28 H new ATOM 0 HD13 LEU A 23 5.074 -5.204 1.807 1.00 1.28 H new ATOM 0 HD21 LEU A 23 3.881 -3.927 -0.716 1.00 0.54 H new ATOM 0 HD22 LEU A 23 4.347 -3.050 0.761 1.00 0.54 H new ATOM 0 HD23 LEU A 23 5.013 -2.557 -0.814 1.00 0.54 H new ATOM 350 N LYS A 24 10.166 -3.015 1.304 1.00 0.21 N ATOM 351 CA LYS A 24 11.257 -2.001 1.232 1.00 0.21 C ATOM 352 C LYS A 24 12.393 -2.537 0.356 1.00 0.20 C ATOM 353 O LYS A 24 12.921 -1.841 -0.489 1.00 0.22 O ATOM 354 CB LYS A 24 11.789 -1.720 2.640 1.00 0.24 C ATOM 355 CG LYS A 24 12.974 -0.756 2.555 1.00 0.41 C ATOM 356 CD LYS A 24 13.496 -0.460 3.963 1.00 0.88 C ATOM 357 CE LYS A 24 15.021 -0.581 3.979 1.00 1.12 C ATOM 358 NZ LYS A 24 15.512 -0.485 5.383 1.00 1.70 N ATOM 0 H LYS A 24 10.045 -3.462 2.213 1.00 0.21 H new ATOM 0 HA LYS A 24 10.867 -1.079 0.801 1.00 0.21 H new ATOM 0 HB2 LYS A 24 11.001 -1.291 3.259 1.00 0.24 H new ATOM 0 HB3 LYS A 24 12.097 -2.651 3.116 1.00 0.24 H new ATOM 0 HG2 LYS A 24 13.767 -1.191 1.946 1.00 0.41 H new ATOM 0 HG3 LYS A 24 12.669 0.170 2.067 1.00 0.41 H new ATOM 0 HD2 LYS A 24 13.197 0.542 4.270 1.00 0.88 H new ATOM 0 HD3 LYS A 24 13.058 -1.156 4.678 1.00 0.88 H new ATOM 0 HE2 LYS A 24 15.326 -1.531 3.540 1.00 1.12 H new ATOM 0 HE3 LYS A 24 15.466 0.208 3.372 1.00 1.12 H new ATOM 0 HZ1 LYS A 24 16.549 -0.567 5.395 1.00 1.70 H new ATOM 0 HZ2 LYS A 24 15.233 0.432 5.786 1.00 1.70 H new ATOM 0 HZ3 LYS A 24 15.098 -1.253 5.949 1.00 1.70 H new ATOM 372 N TYR A 25 12.772 -3.771 0.551 1.00 0.23 N ATOM 373 CA TYR A 25 13.873 -4.353 -0.269 1.00 0.27 C ATOM 374 C TYR A 25 13.491 -4.299 -1.749 1.00 0.23 C ATOM 375 O TYR A 25 14.237 -3.812 -2.575 1.00 0.25 O ATOM 376 CB TYR A 25 14.101 -5.809 0.146 1.00 0.34 C ATOM 377 CG TYR A 25 15.536 -5.990 0.580 1.00 0.52 C ATOM 378 CD1 TYR A 25 15.904 -5.734 1.906 1.00 1.19 C ATOM 379 CD2 TYR A 25 16.498 -6.416 -0.344 1.00 1.42 C ATOM 380 CE1 TYR A 25 17.234 -5.902 2.308 1.00 1.33 C ATOM 381 CE2 TYR A 25 17.828 -6.585 0.058 1.00 1.64 C ATOM 382 CZ TYR A 25 18.196 -6.328 1.384 1.00 1.14 C ATOM 383 OH TYR A 25 19.508 -6.495 1.780 1.00 1.48 O ATOM 0 H TYR A 25 12.367 -4.401 1.243 1.00 0.23 H new ATOM 0 HA TYR A 25 14.787 -3.781 -0.109 1.00 0.27 H new ATOM 0 HB2 TYR A 25 13.427 -6.076 0.960 1.00 0.34 H new ATOM 0 HB3 TYR A 25 13.875 -6.475 -0.686 1.00 0.34 H new ATOM 0 HD1 TYR A 25 15.162 -5.407 2.619 1.00 1.19 H new ATOM 0 HD2 TYR A 25 16.214 -6.614 -1.367 1.00 1.42 H new ATOM 0 HE1 TYR A 25 17.518 -5.703 3.331 1.00 1.33 H new ATOM 0 HE2 TYR A 25 18.570 -6.914 -0.655 1.00 1.64 H new ATOM 0 HH TYR A 25 20.044 -6.796 1.017 1.00 1.48 H new ATOM 393 N LEU A 26 12.335 -4.797 -2.092 1.00 0.23 N ATOM 394 CA LEU A 26 11.907 -4.773 -3.519 1.00 0.25 C ATOM 395 C LEU A 26 11.803 -3.323 -4.000 1.00 0.24 C ATOM 396 O LEU A 26 11.957 -3.037 -5.171 1.00 0.30 O ATOM 397 CB LEU A 26 10.543 -5.453 -3.653 1.00 0.31 C ATOM 398 CG LEU A 26 10.738 -6.960 -3.821 1.00 0.65 C ATOM 399 CD1 LEU A 26 9.867 -7.704 -2.808 1.00 1.61 C ATOM 400 CD2 LEU A 26 10.334 -7.371 -5.239 1.00 1.27 C ATOM 0 H LEU A 26 11.668 -5.219 -1.446 1.00 0.23 H new ATOM 0 HA LEU A 26 12.641 -5.304 -4.126 1.00 0.25 H new ATOM 0 HB2 LEU A 26 9.936 -5.250 -2.771 1.00 0.31 H new ATOM 0 HB3 LEU A 26 10.005 -5.047 -4.510 1.00 0.31 H new ATOM 0 HG LEU A 26 11.785 -7.211 -3.653 1.00 0.65 H new ATOM 0 HD11 LEU A 26 10.006 -8.778 -2.928 1.00 1.61 H new ATOM 0 HD12 LEU A 26 10.153 -7.412 -1.798 1.00 1.61 H new ATOM 0 HD13 LEU A 26 8.820 -7.453 -2.975 1.00 1.61 H new ATOM 0 HD21 LEU A 26 10.473 -8.445 -5.360 1.00 1.27 H new ATOM 0 HD22 LEU A 26 9.287 -7.119 -5.406 1.00 1.27 H new ATOM 0 HD23 LEU A 26 10.954 -6.841 -5.962 1.00 1.27 H new ATOM 412 N CYS A 27 11.543 -2.405 -3.109 1.00 0.22 N ATOM 413 CA CYS A 27 11.431 -0.977 -3.521 1.00 0.24 C ATOM 414 C CYS A 27 12.806 -0.461 -3.949 1.00 0.28 C ATOM 415 O CYS A 27 12.920 0.377 -4.821 1.00 0.40 O ATOM 416 CB CYS A 27 10.917 -0.145 -2.344 1.00 0.32 C ATOM 417 SG CYS A 27 9.107 -0.117 -2.369 1.00 0.68 S ATOM 0 H CYS A 27 11.403 -2.582 -2.114 1.00 0.22 H new ATOM 0 HA CYS A 27 10.735 -0.893 -4.356 1.00 0.24 H new ATOM 0 HB2 CYS A 27 11.272 -0.567 -1.404 1.00 0.32 H new ATOM 0 HB3 CYS A 27 11.308 0.871 -2.405 1.00 0.32 H new ATOM 0 HG CYS A 27 8.648 -1.160 -1.743 1.00 0.68 H new ATOM 423 N LEU A 28 13.851 -0.955 -3.344 1.00 0.26 N ATOM 424 CA LEU A 28 15.217 -0.492 -3.718 1.00 0.35 C ATOM 425 C LEU A 28 15.422 -0.673 -5.224 1.00 0.48 C ATOM 426 O LEU A 28 15.749 -1.746 -5.692 1.00 1.32 O ATOM 427 CB LEU A 28 16.260 -1.315 -2.959 1.00 0.31 C ATOM 428 CG LEU A 28 16.487 -0.701 -1.577 1.00 0.37 C ATOM 429 CD1 LEU A 28 16.938 -1.789 -0.602 1.00 0.56 C ATOM 430 CD2 LEU A 28 17.567 0.379 -1.671 1.00 0.54 C ATOM 0 H LEU A 28 13.818 -1.659 -2.607 1.00 0.26 H new ATOM 0 HA LEU A 28 15.327 0.561 -3.460 1.00 0.35 H new ATOM 0 HB2 LEU A 28 15.922 -2.347 -2.859 1.00 0.31 H new ATOM 0 HB3 LEU A 28 17.196 -1.338 -3.517 1.00 0.31 H new ATOM 0 HG LEU A 28 15.558 -0.257 -1.220 1.00 0.37 H new ATOM 0 HD11 LEU A 28 17.100 -1.351 0.383 1.00 0.56 H new ATOM 0 HD12 LEU A 28 16.169 -2.559 -0.535 1.00 0.56 H new ATOM 0 HD13 LEU A 28 17.867 -2.234 -0.958 1.00 0.56 H new ATOM 0 HD21 LEU A 28 17.730 0.817 -0.686 1.00 0.54 H new ATOM 0 HD22 LEU A 28 18.496 -0.065 -2.028 1.00 0.54 H new ATOM 0 HD23 LEU A 28 17.246 1.155 -2.365 1.00 0.54 H new ATOM 442 N GLY A 29 15.232 0.368 -5.988 1.00 0.71 N ATOM 443 CA GLY A 29 15.416 0.256 -7.463 1.00 0.67 C ATOM 444 C GLY A 29 14.061 0.389 -8.160 1.00 0.62 C ATOM 445 O GLY A 29 13.937 1.040 -9.179 1.00 0.70 O ATOM 0 H GLY A 29 14.957 1.292 -5.654 1.00 0.71 H new ATOM 0 HA2 GLY A 29 16.095 1.032 -7.815 1.00 0.67 H new ATOM 0 HA3 GLY A 29 15.872 -0.703 -7.711 1.00 0.67 H new ATOM 449 N ARG A 30 13.042 -0.224 -7.621 1.00 0.55 N ATOM 450 CA ARG A 30 11.696 -0.132 -8.255 1.00 0.54 C ATOM 451 C ARG A 30 11.112 1.263 -8.017 1.00 0.45 C ATOM 452 O ARG A 30 10.828 1.994 -8.945 1.00 0.51 O ATOM 453 CB ARG A 30 10.769 -1.183 -7.641 1.00 0.57 C ATOM 454 CG ARG A 30 11.097 -2.558 -8.225 1.00 0.74 C ATOM 455 CD ARG A 30 9.850 -3.142 -8.891 1.00 1.41 C ATOM 456 NE ARG A 30 10.198 -4.428 -9.558 1.00 1.82 N ATOM 457 CZ ARG A 30 9.643 -4.744 -10.696 1.00 2.47 C ATOM 458 NH1 ARG A 30 8.346 -4.868 -10.778 1.00 3.06 N ATOM 459 NH2 ARG A 30 10.384 -4.938 -11.752 1.00 3.09 N ATOM 0 H ARG A 30 13.084 -0.784 -6.770 1.00 0.55 H new ATOM 0 HA ARG A 30 11.788 -0.309 -9.327 1.00 0.54 H new ATOM 0 HB2 ARG A 30 10.887 -1.199 -6.558 1.00 0.57 H new ATOM 0 HB3 ARG A 30 9.729 -0.929 -7.844 1.00 0.57 H new ATOM 0 HG2 ARG A 30 11.904 -2.472 -8.953 1.00 0.74 H new ATOM 0 HG3 ARG A 30 11.447 -3.225 -7.437 1.00 0.74 H new ATOM 0 HD2 ARG A 30 9.070 -3.305 -8.147 1.00 1.41 H new ATOM 0 HD3 ARG A 30 9.451 -2.438 -9.621 1.00 1.41 H new ATOM 0 HE ARG A 30 10.870 -5.061 -9.125 1.00 1.82 H new ATOM 0 HH11 ARG A 30 7.766 -4.718 -9.952 1.00 3.06 H new ATOM 0 HH12 ARG A 30 7.913 -5.115 -11.668 1.00 3.06 H new ATOM 0 HH21 ARG A 30 11.398 -4.843 -11.688 1.00 3.09 H new ATOM 0 HH22 ARG A 30 9.950 -5.185 -12.641 1.00 3.09 H new ATOM 473 N VAL A 31 10.931 1.637 -6.780 1.00 0.36 N ATOM 474 CA VAL A 31 10.366 2.983 -6.483 1.00 0.36 C ATOM 475 C VAL A 31 11.504 3.998 -6.360 1.00 0.41 C ATOM 476 O VAL A 31 11.382 5.135 -6.771 1.00 0.66 O ATOM 477 CB VAL A 31 9.587 2.929 -5.168 1.00 0.35 C ATOM 478 CG1 VAL A 31 8.847 4.252 -4.958 1.00 0.51 C ATOM 479 CG2 VAL A 31 8.574 1.783 -5.223 1.00 0.43 C ATOM 0 H VAL A 31 11.150 1.068 -5.962 1.00 0.36 H new ATOM 0 HA VAL A 31 9.697 3.283 -7.290 1.00 0.36 H new ATOM 0 HB VAL A 31 10.279 2.765 -4.342 1.00 0.35 H new ATOM 0 HG11 VAL A 31 8.292 4.214 -4.021 1.00 0.51 H new ATOM 0 HG12 VAL A 31 9.567 5.070 -4.920 1.00 0.51 H new ATOM 0 HG13 VAL A 31 8.154 4.417 -5.783 1.00 0.51 H new ATOM 0 HG21 VAL A 31 8.018 1.743 -4.286 1.00 0.43 H new ATOM 0 HG22 VAL A 31 7.882 1.948 -6.049 1.00 0.43 H new ATOM 0 HG23 VAL A 31 9.099 0.840 -5.373 1.00 0.43 H new ATOM 489 N GLY A 32 12.611 3.598 -5.796 1.00 0.33 N ATOM 490 CA GLY A 32 13.755 4.542 -5.648 1.00 0.38 C ATOM 491 C GLY A 32 14.419 4.334 -4.286 1.00 0.35 C ATOM 492 O GLY A 32 13.913 3.624 -3.439 1.00 0.45 O ATOM 0 H GLY A 32 12.773 2.659 -5.432 1.00 0.33 H new ATOM 0 HA2 GLY A 32 14.480 4.379 -6.446 1.00 0.38 H new ATOM 0 HA3 GLY A 32 13.405 5.570 -5.740 1.00 0.38 H new ATOM 496 N LYS A 33 15.549 4.949 -4.067 1.00 0.42 N ATOM 497 CA LYS A 33 16.244 4.788 -2.759 1.00 0.43 C ATOM 498 C LYS A 33 15.894 5.965 -1.847 1.00 0.45 C ATOM 499 O LYS A 33 15.742 5.813 -0.651 1.00 0.46 O ATOM 500 CB LYS A 33 17.757 4.752 -2.987 1.00 0.53 C ATOM 501 CG LYS A 33 18.322 3.430 -2.465 1.00 1.07 C ATOM 502 CD LYS A 33 19.833 3.563 -2.266 1.00 1.39 C ATOM 503 CE LYS A 33 20.422 2.201 -1.895 1.00 1.88 C ATOM 504 NZ LYS A 33 21.869 2.172 -2.249 1.00 2.66 N ATOM 0 H LYS A 33 16.021 5.556 -4.737 1.00 0.42 H new ATOM 0 HA LYS A 33 15.924 3.857 -2.290 1.00 0.43 H new ATOM 0 HB2 LYS A 33 17.978 4.860 -4.049 1.00 0.53 H new ATOM 0 HB3 LYS A 33 18.232 5.589 -2.476 1.00 0.53 H new ATOM 0 HG2 LYS A 33 17.843 3.164 -1.523 1.00 1.07 H new ATOM 0 HG3 LYS A 33 18.107 2.627 -3.170 1.00 1.07 H new ATOM 0 HD2 LYS A 33 20.299 3.936 -3.178 1.00 1.39 H new ATOM 0 HD3 LYS A 33 20.044 4.288 -1.480 1.00 1.39 H new ATOM 0 HE2 LYS A 33 20.294 2.016 -0.829 1.00 1.88 H new ATOM 0 HE3 LYS A 33 19.892 1.408 -2.422 1.00 1.88 H new ATOM 0 HZ1 LYS A 33 22.270 1.246 -1.997 1.00 2.66 H new ATOM 0 HZ2 LYS A 33 21.980 2.330 -3.271 1.00 2.66 H new ATOM 0 HZ3 LYS A 33 22.369 2.919 -1.727 1.00 2.66 H new ATOM 518 N ARG A 34 15.765 7.139 -2.402 1.00 0.53 N ATOM 519 CA ARG A 34 15.424 8.325 -1.566 1.00 0.59 C ATOM 520 C ARG A 34 14.029 8.143 -0.966 1.00 0.54 C ATOM 521 O ARG A 34 13.738 8.624 0.111 1.00 0.58 O ATOM 522 CB ARG A 34 15.445 9.584 -2.435 1.00 0.71 C ATOM 523 CG ARG A 34 16.889 10.055 -2.620 1.00 1.70 C ATOM 524 CD ARG A 34 16.915 11.578 -2.762 1.00 2.06 C ATOM 525 NE ARG A 34 16.231 11.970 -4.027 1.00 2.57 N ATOM 526 CZ ARG A 34 16.863 12.691 -4.914 1.00 2.98 C ATOM 527 NH1 ARG A 34 18.095 12.402 -5.231 1.00 3.68 N ATOM 528 NH2 ARG A 34 16.261 13.699 -5.483 1.00 3.21 N ATOM 0 H ARG A 34 15.881 7.328 -3.398 1.00 0.53 H new ATOM 0 HA ARG A 34 16.154 8.425 -0.763 1.00 0.59 H new ATOM 0 HB2 ARG A 34 14.992 9.377 -3.405 1.00 0.71 H new ATOM 0 HB3 ARG A 34 14.852 10.370 -1.968 1.00 0.71 H new ATOM 0 HG2 ARG A 34 17.495 9.748 -1.767 1.00 1.70 H new ATOM 0 HG3 ARG A 34 17.324 9.589 -3.504 1.00 1.70 H new ATOM 0 HD2 ARG A 34 16.420 12.042 -1.909 1.00 2.06 H new ATOM 0 HD3 ARG A 34 17.944 11.936 -2.766 1.00 2.06 H new ATOM 0 HE ARG A 34 15.270 11.675 -4.200 1.00 2.57 H new ATOM 0 HH11 ARG A 34 18.564 11.613 -4.786 1.00 3.68 H new ATOM 0 HH12 ARG A 34 18.589 12.965 -5.924 1.00 3.68 H new ATOM 0 HH21 ARG A 34 15.297 13.924 -5.235 1.00 3.21 H new ATOM 0 HH22 ARG A 34 16.754 14.262 -6.176 1.00 3.21 H new ATOM 542 N LYS A 35 13.163 7.451 -1.655 1.00 0.48 N ATOM 543 CA LYS A 35 11.787 7.239 -1.124 1.00 0.47 C ATOM 544 C LYS A 35 11.857 6.412 0.162 1.00 0.41 C ATOM 545 O LYS A 35 11.185 6.698 1.132 1.00 0.45 O ATOM 546 CB LYS A 35 10.949 6.492 -2.164 1.00 0.47 C ATOM 547 CG LYS A 35 9.918 7.446 -2.771 1.00 0.58 C ATOM 548 CD LYS A 35 10.480 8.054 -4.057 1.00 0.90 C ATOM 549 CE LYS A 35 9.598 9.224 -4.497 1.00 1.17 C ATOM 550 NZ LYS A 35 10.196 9.873 -5.698 1.00 1.76 N ATOM 0 H LYS A 35 13.349 7.024 -2.562 1.00 0.48 H new ATOM 0 HA LYS A 35 11.328 8.204 -0.911 1.00 0.47 H new ATOM 0 HB2 LYS A 35 11.594 6.091 -2.946 1.00 0.47 H new ATOM 0 HB3 LYS A 35 10.446 5.644 -1.700 1.00 0.47 H new ATOM 0 HG2 LYS A 35 8.993 6.911 -2.983 1.00 0.58 H new ATOM 0 HG3 LYS A 35 9.674 8.235 -2.060 1.00 0.58 H new ATOM 0 HD2 LYS A 35 11.502 8.397 -3.893 1.00 0.90 H new ATOM 0 HD3 LYS A 35 10.519 7.299 -4.842 1.00 0.90 H new ATOM 0 HE2 LYS A 35 8.593 8.870 -4.725 1.00 1.17 H new ATOM 0 HE3 LYS A 35 9.505 9.948 -3.687 1.00 1.17 H new ATOM 0 HZ1 LYS A 35 9.597 10.668 -5.997 1.00 1.76 H new ATOM 0 HZ2 LYS A 35 11.147 10.224 -5.466 1.00 1.76 H new ATOM 0 HZ3 LYS A 35 10.262 9.180 -6.470 1.00 1.76 H new ATOM 564 N LEU A 36 12.666 5.388 0.176 1.00 0.35 N ATOM 565 CA LEU A 36 12.778 4.543 1.398 1.00 0.34 C ATOM 566 C LEU A 36 13.469 5.338 2.509 1.00 0.37 C ATOM 567 O LEU A 36 13.186 5.164 3.677 1.00 0.42 O ATOM 568 CB LEU A 36 13.599 3.293 1.079 1.00 0.34 C ATOM 569 CG LEU A 36 12.871 2.459 0.024 1.00 0.33 C ATOM 570 CD1 LEU A 36 13.769 1.306 -0.427 1.00 0.39 C ATOM 571 CD2 LEU A 36 11.581 1.895 0.623 1.00 0.37 C ATOM 0 H LEU A 36 13.254 5.100 -0.606 1.00 0.35 H new ATOM 0 HA LEU A 36 11.782 4.250 1.729 1.00 0.34 H new ATOM 0 HB2 LEU A 36 14.587 3.577 0.715 1.00 0.34 H new ATOM 0 HB3 LEU A 36 13.750 2.703 1.983 1.00 0.34 H new ATOM 0 HG LEU A 36 12.631 3.088 -0.833 1.00 0.33 H new ATOM 0 HD11 LEU A 36 13.249 0.712 -1.179 1.00 0.39 H new ATOM 0 HD12 LEU A 36 14.689 1.706 -0.853 1.00 0.39 H new ATOM 0 HD13 LEU A 36 14.010 0.676 0.429 1.00 0.39 H new ATOM 0 HD21 LEU A 36 11.061 1.300 -0.128 1.00 0.37 H new ATOM 0 HD22 LEU A 36 11.822 1.267 1.480 1.00 0.37 H new ATOM 0 HD23 LEU A 36 10.940 2.716 0.944 1.00 0.37 H new ATOM 583 N GLU A 37 14.373 6.210 2.154 1.00 0.39 N ATOM 584 CA GLU A 37 15.079 7.014 3.192 1.00 0.44 C ATOM 585 C GLU A 37 14.063 7.857 3.965 1.00 0.42 C ATOM 586 O GLU A 37 14.232 8.129 5.137 1.00 0.44 O ATOM 587 CB GLU A 37 16.099 7.934 2.517 1.00 0.51 C ATOM 588 CG GLU A 37 17.282 8.163 3.459 1.00 0.85 C ATOM 589 CD GLU A 37 18.432 8.812 2.686 1.00 1.52 C ATOM 590 OE1 GLU A 37 18.392 10.018 2.506 1.00 2.17 O ATOM 591 OE2 GLU A 37 19.332 8.092 2.287 1.00 2.21 O ATOM 0 H GLU A 37 14.653 6.400 1.192 1.00 0.39 H new ATOM 0 HA GLU A 37 15.593 6.345 3.882 1.00 0.44 H new ATOM 0 HB2 GLU A 37 16.444 7.489 1.584 1.00 0.51 H new ATOM 0 HB3 GLU A 37 15.633 8.886 2.263 1.00 0.51 H new ATOM 0 HG2 GLU A 37 16.981 8.802 4.289 1.00 0.85 H new ATOM 0 HG3 GLU A 37 17.607 7.215 3.888 1.00 0.85 H new ATOM 598 N ARG A 38 13.010 8.274 3.318 1.00 0.51 N ATOM 599 CA ARG A 38 11.984 9.100 4.016 1.00 0.54 C ATOM 600 C ARG A 38 10.983 8.184 4.722 1.00 0.53 C ATOM 601 O ARG A 38 10.412 8.536 5.735 1.00 0.57 O ATOM 602 CB ARG A 38 11.248 9.968 2.993 1.00 0.62 C ATOM 603 CG ARG A 38 11.254 11.426 3.457 1.00 1.02 C ATOM 604 CD ARG A 38 9.955 11.729 4.208 1.00 1.32 C ATOM 605 NE ARG A 38 9.436 13.059 3.783 1.00 1.93 N ATOM 606 CZ ARG A 38 10.230 14.095 3.764 1.00 2.46 C ATOM 607 NH1 ARG A 38 11.008 14.339 4.782 1.00 2.90 N ATOM 608 NH2 ARG A 38 10.246 14.885 2.725 1.00 3.20 N ATOM 0 H ARG A 38 12.815 8.079 2.336 1.00 0.51 H new ATOM 0 HA ARG A 38 12.472 9.739 4.752 1.00 0.54 H new ATOM 0 HB2 ARG A 38 11.728 9.884 2.018 1.00 0.62 H new ATOM 0 HB3 ARG A 38 10.223 9.618 2.875 1.00 0.62 H new ATOM 0 HG2 ARG A 38 12.112 11.609 4.104 1.00 1.02 H new ATOM 0 HG3 ARG A 38 11.354 12.091 2.599 1.00 1.02 H new ATOM 0 HD2 ARG A 38 9.215 10.955 4.003 1.00 1.32 H new ATOM 0 HD3 ARG A 38 10.134 11.723 5.283 1.00 1.32 H new ATOM 0 HE ARG A 38 8.459 13.160 3.507 1.00 1.93 H new ATOM 0 HH11 ARG A 38 10.996 13.720 5.593 1.00 2.90 H new ATOM 0 HH12 ARG A 38 11.628 15.148 4.767 1.00 2.90 H new ATOM 0 HH21 ARG A 38 9.638 14.693 1.929 1.00 3.20 H new ATOM 0 HH22 ARG A 38 10.866 15.695 2.709 1.00 3.20 H new ATOM 622 N VAL A 39 10.763 7.010 4.195 1.00 0.53 N ATOM 623 CA VAL A 39 9.798 6.073 4.836 1.00 0.56 C ATOM 624 C VAL A 39 10.219 5.812 6.284 1.00 0.52 C ATOM 625 O VAL A 39 11.340 6.074 6.673 1.00 0.61 O ATOM 626 CB VAL A 39 9.781 4.752 4.064 1.00 0.70 C ATOM 627 CG1 VAL A 39 10.698 3.741 4.755 1.00 0.76 C ATOM 628 CG2 VAL A 39 8.354 4.202 4.028 1.00 0.92 C ATOM 0 H VAL A 39 11.210 6.660 3.348 1.00 0.53 H new ATOM 0 HA VAL A 39 8.802 6.516 4.824 1.00 0.56 H new ATOM 0 HB VAL A 39 10.133 4.923 3.047 1.00 0.70 H new ATOM 0 HG11 VAL A 39 10.684 2.801 4.203 1.00 0.76 H new ATOM 0 HG12 VAL A 39 11.715 4.131 4.782 1.00 0.76 H new ATOM 0 HG13 VAL A 39 10.349 3.569 5.773 1.00 0.76 H new ATOM 0 HG21 VAL A 39 8.341 3.261 3.478 1.00 0.92 H new ATOM 0 HG22 VAL A 39 8.004 4.033 5.046 1.00 0.92 H new ATOM 0 HG23 VAL A 39 7.700 4.920 3.534 1.00 0.92 H new ATOM 638 N GLN A 40 9.327 5.295 7.085 1.00 0.55 N ATOM 639 CA GLN A 40 9.673 5.014 8.507 1.00 0.57 C ATOM 640 C GLN A 40 8.750 3.920 9.047 1.00 0.58 C ATOM 641 O GLN A 40 9.185 2.995 9.704 1.00 1.06 O ATOM 642 CB GLN A 40 9.497 6.287 9.337 1.00 0.70 C ATOM 643 CG GLN A 40 10.344 6.189 10.607 1.00 1.38 C ATOM 644 CD GLN A 40 10.551 7.587 11.194 1.00 1.77 C ATOM 645 OE1 GLN A 40 9.827 8.001 12.077 1.00 2.28 O ATOM 646 NE2 GLN A 40 11.517 8.336 10.738 1.00 2.43 N ATOM 0 H GLN A 40 8.373 5.055 6.815 1.00 0.55 H new ATOM 0 HA GLN A 40 10.709 4.681 8.571 1.00 0.57 H new ATOM 0 HB2 GLN A 40 9.796 7.158 8.754 1.00 0.70 H new ATOM 0 HB3 GLN A 40 8.447 6.422 9.597 1.00 0.70 H new ATOM 0 HG2 GLN A 40 9.851 5.546 11.337 1.00 1.38 H new ATOM 0 HG3 GLN A 40 11.307 5.733 10.380 1.00 1.38 H new ATOM 0 HE21 GLN A 40 12.125 7.989 9.996 1.00 2.43 H new ATOM 0 HE22 GLN A 40 11.664 9.269 11.123 1.00 2.43 H new ATOM 655 N SER A 41 7.476 4.017 8.776 1.00 0.60 N ATOM 656 CA SER A 41 6.527 2.982 9.273 1.00 0.54 C ATOM 657 C SER A 41 5.902 2.249 8.084 1.00 0.62 C ATOM 658 O SER A 41 6.028 1.048 7.948 1.00 1.33 O ATOM 659 CB SER A 41 5.425 3.654 10.094 1.00 0.55 C ATOM 660 OG SER A 41 4.529 2.662 10.578 1.00 1.52 O ATOM 0 H SER A 41 7.052 4.769 8.232 1.00 0.60 H new ATOM 0 HA SER A 41 7.063 2.268 9.898 1.00 0.54 H new ATOM 0 HB2 SER A 41 5.861 4.205 10.928 1.00 0.55 H new ATOM 0 HB3 SER A 41 4.888 4.377 9.480 1.00 0.55 H new ATOM 0 HG SER A 41 3.822 3.089 11.106 1.00 1.52 H new ATOM 666 N GLY A 42 5.230 2.961 7.221 1.00 0.42 N ATOM 667 CA GLY A 42 4.599 2.304 6.041 1.00 0.39 C ATOM 668 C GLY A 42 3.722 3.315 5.300 1.00 0.33 C ATOM 669 O GLY A 42 3.818 3.473 4.099 1.00 0.33 O ATOM 0 H GLY A 42 5.091 3.970 7.282 1.00 0.42 H new ATOM 0 HA2 GLY A 42 5.368 1.916 5.373 1.00 0.39 H new ATOM 0 HA3 GLY A 42 3.998 1.453 6.363 1.00 0.39 H new ATOM 673 N LEU A 43 2.869 4.003 6.008 1.00 0.31 N ATOM 674 CA LEU A 43 1.986 5.006 5.348 1.00 0.28 C ATOM 675 C LEU A 43 2.835 6.037 4.596 1.00 0.26 C ATOM 676 O LEU A 43 2.367 6.685 3.683 1.00 0.26 O ATOM 677 CB LEU A 43 1.146 5.719 6.409 1.00 0.30 C ATOM 678 CG LEU A 43 0.005 6.481 5.732 1.00 0.31 C ATOM 679 CD1 LEU A 43 -1.049 5.490 5.237 1.00 0.36 C ATOM 680 CD2 LEU A 43 -0.632 7.442 6.738 1.00 0.46 C ATOM 0 H LEU A 43 2.745 3.914 7.017 1.00 0.31 H new ATOM 0 HA LEU A 43 1.332 4.496 4.641 1.00 0.28 H new ATOM 0 HB2 LEU A 43 0.743 4.994 7.116 1.00 0.30 H new ATOM 0 HB3 LEU A 43 1.770 6.408 6.979 1.00 0.30 H new ATOM 0 HG LEU A 43 0.397 7.046 4.886 1.00 0.31 H new ATOM 0 HD11 LEU A 43 -1.862 6.034 4.755 1.00 0.36 H new ATOM 0 HD12 LEU A 43 -0.596 4.804 4.521 1.00 0.36 H new ATOM 0 HD13 LEU A 43 -1.442 4.925 6.082 1.00 0.36 H new ATOM 0 HD21 LEU A 43 -1.445 7.986 6.257 1.00 0.46 H new ATOM 0 HD22 LEU A 43 -1.024 6.877 7.584 1.00 0.46 H new ATOM 0 HD23 LEU A 43 0.118 8.149 7.091 1.00 0.46 H new ATOM 692 N ASP A 44 4.077 6.199 4.969 1.00 0.28 N ATOM 693 CA ASP A 44 4.941 7.191 4.267 1.00 0.28 C ATOM 694 C ASP A 44 5.158 6.748 2.818 1.00 0.27 C ATOM 695 O ASP A 44 4.941 7.502 1.889 1.00 0.27 O ATOM 696 CB ASP A 44 6.292 7.284 4.979 1.00 0.32 C ATOM 697 CG ASP A 44 6.252 8.417 6.006 1.00 0.73 C ATOM 698 OD1 ASP A 44 6.294 9.565 5.594 1.00 1.47 O ATOM 699 OD2 ASP A 44 6.179 8.119 7.187 1.00 1.33 O ATOM 0 H ASP A 44 4.529 5.688 5.728 1.00 0.28 H new ATOM 0 HA ASP A 44 4.455 8.167 4.278 1.00 0.28 H new ATOM 0 HB2 ASP A 44 6.520 6.339 5.473 1.00 0.32 H new ATOM 0 HB3 ASP A 44 7.085 7.464 4.254 1.00 0.32 H new ATOM 704 N LEU A 45 5.584 5.531 2.615 1.00 0.28 N ATOM 705 CA LEU A 45 5.814 5.044 1.225 1.00 0.28 C ATOM 706 C LEU A 45 4.486 5.020 0.468 1.00 0.25 C ATOM 707 O LEU A 45 4.434 5.249 -0.724 1.00 0.27 O ATOM 708 CB LEU A 45 6.399 3.630 1.269 1.00 0.32 C ATOM 709 CG LEU A 45 6.660 3.138 -0.155 1.00 0.29 C ATOM 710 CD1 LEU A 45 8.167 3.030 -0.391 1.00 0.35 C ATOM 711 CD2 LEU A 45 6.015 1.763 -0.345 1.00 0.32 C ATOM 0 H LEU A 45 5.783 4.853 3.351 1.00 0.28 H new ATOM 0 HA LEU A 45 6.511 5.711 0.718 1.00 0.28 H new ATOM 0 HB2 LEU A 45 7.327 3.627 1.841 1.00 0.32 H new ATOM 0 HB3 LEU A 45 5.709 2.956 1.777 1.00 0.32 H new ATOM 0 HG LEU A 45 6.231 3.844 -0.867 1.00 0.29 H new ATOM 0 HD11 LEU A 45 8.352 2.679 -1.406 1.00 0.35 H new ATOM 0 HD12 LEU A 45 8.628 4.009 -0.256 1.00 0.35 H new ATOM 0 HD13 LEU A 45 8.597 2.325 0.320 1.00 0.35 H new ATOM 0 HD21 LEU A 45 6.200 1.411 -1.360 1.00 0.32 H new ATOM 0 HD22 LEU A 45 6.444 1.058 0.367 1.00 0.32 H new ATOM 0 HD23 LEU A 45 4.941 1.839 -0.178 1.00 0.32 H new ATOM 723 N PHE A 46 3.410 4.744 1.152 1.00 0.24 N ATOM 724 CA PHE A 46 2.084 4.704 0.475 1.00 0.23 C ATOM 725 C PHE A 46 1.624 6.128 0.138 1.00 0.24 C ATOM 726 O PHE A 46 0.803 6.331 -0.735 1.00 0.27 O ATOM 727 CB PHE A 46 1.062 4.045 1.405 1.00 0.25 C ATOM 728 CG PHE A 46 1.626 2.752 1.947 1.00 0.28 C ATOM 729 CD1 PHE A 46 2.531 2.003 1.182 1.00 1.25 C ATOM 730 CD2 PHE A 46 1.242 2.301 3.215 1.00 1.24 C ATOM 731 CE1 PHE A 46 3.050 0.806 1.688 1.00 1.26 C ATOM 732 CE2 PHE A 46 1.762 1.104 3.720 1.00 1.26 C ATOM 733 CZ PHE A 46 2.666 0.356 2.957 1.00 0.38 C ATOM 0 H PHE A 46 3.392 4.544 2.152 1.00 0.24 H new ATOM 0 HA PHE A 46 2.168 4.129 -0.447 1.00 0.23 H new ATOM 0 HB2 PHE A 46 0.816 4.718 2.226 1.00 0.25 H new ATOM 0 HB3 PHE A 46 0.136 3.851 0.864 1.00 0.25 H new ATOM 0 HD1 PHE A 46 2.827 2.349 0.203 1.00 1.25 H new ATOM 0 HD2 PHE A 46 0.544 2.877 3.804 1.00 1.24 H new ATOM 0 HE1 PHE A 46 3.747 0.229 1.099 1.00 1.26 H new ATOM 0 HE2 PHE A 46 1.466 0.757 4.699 1.00 1.26 H new ATOM 0 HZ PHE A 46 3.067 -0.568 3.347 1.00 0.38 H new ATOM 743 N SER A 47 2.142 7.117 0.819 1.00 0.24 N ATOM 744 CA SER A 47 1.727 8.518 0.529 1.00 0.27 C ATOM 745 C SER A 47 2.472 9.027 -0.705 1.00 0.27 C ATOM 746 O SER A 47 1.932 9.761 -1.509 1.00 0.31 O ATOM 747 CB SER A 47 2.061 9.406 1.728 1.00 0.29 C ATOM 748 OG SER A 47 1.752 10.757 1.411 1.00 1.18 O ATOM 0 H SER A 47 2.833 7.014 1.562 1.00 0.24 H new ATOM 0 HA SER A 47 0.654 8.547 0.342 1.00 0.27 H new ATOM 0 HB2 SER A 47 1.493 9.086 2.602 1.00 0.29 H new ATOM 0 HB3 SER A 47 3.117 9.312 1.982 1.00 0.29 H new ATOM 0 HG SER A 47 1.963 11.329 2.178 1.00 1.18 H new ATOM 754 N MET A 48 3.709 8.644 -0.864 1.00 0.27 N ATOM 755 CA MET A 48 4.485 9.107 -2.049 1.00 0.30 C ATOM 756 C MET A 48 3.952 8.416 -3.305 1.00 0.28 C ATOM 757 O MET A 48 3.659 9.051 -4.300 1.00 0.32 O ATOM 758 CB MET A 48 5.963 8.756 -1.861 1.00 0.35 C ATOM 759 CG MET A 48 6.450 9.299 -0.516 1.00 0.74 C ATOM 760 SD MET A 48 8.209 9.709 -0.633 1.00 1.07 S ATOM 761 CE MET A 48 8.820 8.399 0.455 1.00 0.66 C ATOM 0 H MET A 48 4.216 8.031 -0.225 1.00 0.27 H new ATOM 0 HA MET A 48 4.380 10.187 -2.154 1.00 0.30 H new ATOM 0 HB2 MET A 48 6.099 7.675 -1.899 1.00 0.35 H new ATOM 0 HB3 MET A 48 6.554 9.181 -2.672 1.00 0.35 H new ATOM 0 HG2 MET A 48 5.877 10.184 -0.240 1.00 0.74 H new ATOM 0 HG3 MET A 48 6.290 8.558 0.267 1.00 0.74 H new ATOM 0 HE1 MET A 48 9.816 8.659 0.814 1.00 0.66 H new ATOM 0 HE2 MET A 48 8.146 8.287 1.304 1.00 0.66 H new ATOM 0 HE3 MET A 48 8.867 7.460 -0.097 1.00 0.66 H new ATOM 771 N LEU A 49 3.824 7.118 -3.268 1.00 0.28 N ATOM 772 CA LEU A 49 3.310 6.384 -4.458 1.00 0.30 C ATOM 773 C LEU A 49 1.913 6.900 -4.808 1.00 0.30 C ATOM 774 O LEU A 49 1.595 7.131 -5.958 1.00 0.35 O ATOM 775 CB LEU A 49 3.237 4.889 -4.141 1.00 0.33 C ATOM 776 CG LEU A 49 4.645 4.292 -4.167 1.00 0.34 C ATOM 777 CD1 LEU A 49 4.655 2.972 -3.394 1.00 0.40 C ATOM 778 CD2 LEU A 49 5.063 4.036 -5.616 1.00 0.50 C ATOM 0 H LEU A 49 4.054 6.534 -2.464 1.00 0.28 H new ATOM 0 HA LEU A 49 3.980 6.544 -5.303 1.00 0.30 H new ATOM 0 HB2 LEU A 49 2.784 4.736 -3.162 1.00 0.33 H new ATOM 0 HB3 LEU A 49 2.602 4.383 -4.869 1.00 0.33 H new ATOM 0 HG LEU A 49 5.343 4.989 -3.704 1.00 0.34 H new ATOM 0 HD11 LEU A 49 5.659 2.547 -3.413 1.00 0.40 H new ATOM 0 HD12 LEU A 49 4.357 3.153 -2.361 1.00 0.40 H new ATOM 0 HD13 LEU A 49 3.957 2.274 -3.856 1.00 0.40 H new ATOM 0 HD21 LEU A 49 6.066 3.611 -5.635 1.00 0.50 H new ATOM 0 HD22 LEU A 49 4.364 3.339 -6.079 1.00 0.50 H new ATOM 0 HD23 LEU A 49 5.057 4.976 -6.168 1.00 0.50 H new ATOM 790 N LEU A 50 1.075 7.083 -3.824 1.00 0.31 N ATOM 791 CA LEU A 50 -0.301 7.585 -4.100 1.00 0.36 C ATOM 792 C LEU A 50 -0.227 9.016 -4.637 1.00 0.38 C ATOM 793 O LEU A 50 -1.080 9.453 -5.383 1.00 0.45 O ATOM 794 CB LEU A 50 -1.117 7.567 -2.806 1.00 0.40 C ATOM 795 CG LEU A 50 -2.491 8.190 -3.058 1.00 0.55 C ATOM 796 CD1 LEU A 50 -3.140 7.523 -4.272 1.00 1.46 C ATOM 797 CD2 LEU A 50 -3.377 7.981 -1.828 1.00 0.80 C ATOM 0 H LEU A 50 1.284 6.907 -2.841 1.00 0.31 H new ATOM 0 HA LEU A 50 -0.779 6.945 -4.842 1.00 0.36 H new ATOM 0 HB2 LEU A 50 -1.230 6.543 -2.450 1.00 0.40 H new ATOM 0 HB3 LEU A 50 -0.593 8.120 -2.026 1.00 0.40 H new ATOM 0 HG LEU A 50 -2.377 9.257 -3.248 1.00 0.55 H new ATOM 0 HD11 LEU A 50 -4.119 7.967 -4.451 1.00 1.46 H new ATOM 0 HD12 LEU A 50 -2.509 7.670 -5.149 1.00 1.46 H new ATOM 0 HD13 LEU A 50 -3.255 6.456 -4.083 1.00 1.46 H new ATOM 0 HD21 LEU A 50 -4.357 8.424 -2.006 1.00 0.80 H new ATOM 0 HD22 LEU A 50 -3.491 6.914 -1.639 1.00 0.80 H new ATOM 0 HD23 LEU A 50 -2.916 8.456 -0.962 1.00 0.80 H new ATOM 809 N GLU A 51 0.786 9.751 -4.265 1.00 0.35 N ATOM 810 CA GLU A 51 0.910 11.152 -4.757 1.00 0.40 C ATOM 811 C GLU A 51 1.093 11.143 -6.276 1.00 0.42 C ATOM 812 O GLU A 51 0.445 11.878 -6.994 1.00 0.51 O ATOM 813 CB GLU A 51 2.121 11.820 -4.101 1.00 0.41 C ATOM 814 CG GLU A 51 1.762 13.253 -3.705 1.00 0.86 C ATOM 815 CD GLU A 51 2.899 13.854 -2.877 1.00 1.22 C ATOM 816 OE1 GLU A 51 3.927 13.207 -2.761 1.00 1.85 O ATOM 817 OE2 GLU A 51 2.723 14.951 -2.372 1.00 1.95 O ATOM 0 H GLU A 51 1.532 9.442 -3.642 1.00 0.35 H new ATOM 0 HA GLU A 51 0.008 11.708 -4.502 1.00 0.40 H new ATOM 0 HB2 GLU A 51 2.429 11.255 -3.221 1.00 0.41 H new ATOM 0 HB3 GLU A 51 2.966 11.823 -4.790 1.00 0.41 H new ATOM 0 HG2 GLU A 51 1.590 13.856 -4.597 1.00 0.86 H new ATOM 0 HG3 GLU A 51 0.836 13.262 -3.130 1.00 0.86 H new ATOM 824 N GLN A 52 1.973 10.316 -6.771 1.00 0.37 N ATOM 825 CA GLN A 52 2.197 10.260 -8.242 1.00 0.40 C ATOM 826 C GLN A 52 3.111 9.080 -8.574 1.00 0.40 C ATOM 827 O GLN A 52 4.319 9.171 -8.473 1.00 0.47 O ATOM 828 CB GLN A 52 2.854 11.561 -8.709 1.00 0.45 C ATOM 829 CG GLN A 52 3.726 12.124 -7.585 1.00 1.20 C ATOM 830 CD GLN A 52 4.703 13.149 -8.163 1.00 1.47 C ATOM 831 OE1 GLN A 52 5.394 12.873 -9.124 1.00 1.89 O ATOM 832 NE2 GLN A 52 4.792 14.330 -7.613 1.00 1.99 N ATOM 0 H GLN A 52 2.546 9.677 -6.220 1.00 0.37 H new ATOM 0 HA GLN A 52 1.241 10.134 -8.750 1.00 0.40 H new ATOM 0 HB2 GLN A 52 3.460 11.377 -9.596 1.00 0.45 H new ATOM 0 HB3 GLN A 52 2.090 12.286 -8.989 1.00 0.45 H new ATOM 0 HG2 GLN A 52 3.101 12.591 -6.824 1.00 1.20 H new ATOM 0 HG3 GLN A 52 4.274 11.318 -7.097 1.00 1.20 H new ATOM 0 HE21 GLN A 52 4.212 14.562 -6.806 1.00 1.99 H new ATOM 0 HE22 GLN A 52 5.441 15.021 -7.990 1.00 1.99 H new ATOM 841 N ASN A 53 2.547 7.972 -8.969 1.00 0.37 N ATOM 842 CA ASN A 53 3.386 6.788 -9.306 1.00 0.37 C ATOM 843 C ASN A 53 2.494 5.652 -9.810 1.00 0.38 C ATOM 844 O ASN A 53 2.477 5.339 -10.984 1.00 0.42 O ATOM 845 CB ASN A 53 4.142 6.328 -8.058 1.00 0.36 C ATOM 846 CG ASN A 53 5.646 6.339 -8.339 1.00 0.83 C ATOM 847 OD1 ASN A 53 6.421 6.830 -7.542 1.00 1.71 O ATOM 848 ND2 ASN A 53 6.094 5.816 -9.447 1.00 1.25 N ATOM 0 H ASN A 53 1.542 7.835 -9.073 1.00 0.37 H new ATOM 0 HA ASN A 53 4.099 7.060 -10.085 1.00 0.37 H new ATOM 0 HB2 ASN A 53 3.913 6.985 -7.219 1.00 0.36 H new ATOM 0 HB3 ASN A 53 3.822 5.325 -7.775 1.00 0.36 H new ATOM 0 HD21 ASN A 53 7.095 5.819 -9.644 1.00 1.25 H new ATOM 0 HD22 ASN A 53 5.444 5.404 -10.116 1.00 1.25 H new ATOM 855 N ASP A 54 1.751 5.031 -8.934 1.00 0.39 N ATOM 856 CA ASP A 54 0.863 3.917 -9.370 1.00 0.43 C ATOM 857 C ASP A 54 -0.118 3.569 -8.248 1.00 0.53 C ATOM 858 O ASP A 54 -0.396 2.415 -7.990 1.00 1.29 O ATOM 859 CB ASP A 54 1.714 2.689 -9.700 1.00 0.48 C ATOM 860 CG ASP A 54 1.037 1.881 -10.809 1.00 0.56 C ATOM 861 OD1 ASP A 54 -0.046 1.373 -10.568 1.00 1.22 O ATOM 862 OD2 ASP A 54 1.613 1.784 -11.880 1.00 1.29 O ATOM 0 H ASP A 54 1.721 5.247 -7.938 1.00 0.39 H new ATOM 0 HA ASP A 54 0.305 4.225 -10.254 1.00 0.43 H new ATOM 0 HB2 ASP A 54 2.710 2.998 -10.017 1.00 0.48 H new ATOM 0 HB3 ASP A 54 1.840 2.071 -8.811 1.00 0.48 H new ATOM 867 N LEU A 55 -0.648 4.557 -7.580 1.00 0.52 N ATOM 868 CA LEU A 55 -1.611 4.278 -6.477 1.00 0.44 C ATOM 869 C LEU A 55 -2.797 5.238 -6.585 1.00 0.45 C ATOM 870 O LEU A 55 -2.636 6.414 -6.846 1.00 0.75 O ATOM 871 CB LEU A 55 -0.917 4.472 -5.126 1.00 0.43 C ATOM 872 CG LEU A 55 -0.718 3.115 -4.445 1.00 0.42 C ATOM 873 CD1 LEU A 55 0.749 2.956 -4.043 1.00 0.55 C ATOM 874 CD2 LEU A 55 -1.597 3.040 -3.195 1.00 0.47 C ATOM 0 H LEU A 55 -0.456 5.544 -7.750 1.00 0.52 H new ATOM 0 HA LEU A 55 -1.965 3.250 -6.555 1.00 0.44 H new ATOM 0 HB2 LEU A 55 0.046 4.962 -5.269 1.00 0.43 H new ATOM 0 HB3 LEU A 55 -1.515 5.124 -4.490 1.00 0.43 H new ATOM 0 HG LEU A 55 -0.995 2.318 -5.135 1.00 0.42 H new ATOM 0 HD11 LEU A 55 0.891 1.990 -3.558 1.00 0.55 H new ATOM 0 HD12 LEU A 55 1.378 3.012 -4.932 1.00 0.55 H new ATOM 0 HD13 LEU A 55 1.025 3.753 -3.352 1.00 0.55 H new ATOM 0 HD21 LEU A 55 -1.457 2.075 -2.709 1.00 0.47 H new ATOM 0 HD22 LEU A 55 -1.318 3.837 -2.506 1.00 0.47 H new ATOM 0 HD23 LEU A 55 -2.643 3.155 -3.478 1.00 0.47 H new ATOM 886 N GLU A 56 -3.990 4.747 -6.386 1.00 0.36 N ATOM 887 CA GLU A 56 -5.186 5.630 -6.477 1.00 0.37 C ATOM 888 C GLU A 56 -6.393 4.914 -5.870 1.00 0.33 C ATOM 889 O GLU A 56 -6.332 3.737 -5.574 1.00 0.31 O ATOM 890 CB GLU A 56 -5.469 5.951 -7.947 1.00 0.46 C ATOM 891 CG GLU A 56 -5.172 7.427 -8.215 1.00 0.57 C ATOM 892 CD GLU A 56 -5.708 7.814 -9.595 1.00 0.99 C ATOM 893 OE1 GLU A 56 -6.903 7.686 -9.802 1.00 1.52 O ATOM 894 OE2 GLU A 56 -4.914 8.231 -10.421 1.00 1.70 O ATOM 0 H GLU A 56 -4.187 3.771 -6.164 1.00 0.36 H new ATOM 0 HA GLU A 56 -5.000 6.555 -5.931 1.00 0.37 H new ATOM 0 HB2 GLU A 56 -4.854 5.323 -8.592 1.00 0.46 H new ATOM 0 HB3 GLU A 56 -6.510 5.730 -8.184 1.00 0.46 H new ATOM 0 HG2 GLU A 56 -5.634 8.047 -7.447 1.00 0.57 H new ATOM 0 HG3 GLU A 56 -4.098 7.607 -8.167 1.00 0.57 H new ATOM 901 N PRO A 57 -7.457 5.652 -5.704 1.00 0.38 N ATOM 902 CA PRO A 57 -8.708 5.138 -5.138 1.00 0.44 C ATOM 903 C PRO A 57 -9.089 3.821 -5.820 1.00 0.49 C ATOM 904 O PRO A 57 -9.726 2.969 -5.233 1.00 0.89 O ATOM 905 CB PRO A 57 -9.757 6.208 -5.418 1.00 0.51 C ATOM 906 CG PRO A 57 -8.910 7.500 -5.535 1.00 0.50 C ATOM 907 CD PRO A 57 -7.516 7.084 -6.069 1.00 0.44 C ATOM 0 HA PRO A 57 -8.620 4.936 -4.071 1.00 0.44 H new ATOM 0 HB2 PRO A 57 -10.309 6.002 -6.335 1.00 0.51 H new ATOM 0 HB3 PRO A 57 -10.489 6.276 -4.614 1.00 0.51 H new ATOM 0 HG2 PRO A 57 -9.385 8.212 -6.210 1.00 0.50 H new ATOM 0 HG3 PRO A 57 -8.821 7.991 -4.566 1.00 0.50 H new ATOM 0 HD2 PRO A 57 -7.431 7.234 -7.145 1.00 0.44 H new ATOM 0 HD3 PRO A 57 -6.714 7.656 -5.603 1.00 0.44 H new ATOM 915 N GLY A 58 -8.704 3.649 -7.055 1.00 0.39 N ATOM 916 CA GLY A 58 -9.044 2.388 -7.772 1.00 0.40 C ATOM 917 C GLY A 58 -7.890 2.001 -8.699 1.00 0.38 C ATOM 918 O GLY A 58 -8.087 1.695 -9.858 1.00 0.54 O ATOM 0 H GLY A 58 -8.169 4.327 -7.598 1.00 0.39 H new ATOM 0 HA2 GLY A 58 -9.232 1.589 -7.055 1.00 0.40 H new ATOM 0 HA3 GLY A 58 -9.959 2.521 -8.349 1.00 0.40 H new ATOM 922 N HIS A 59 -6.685 2.013 -8.197 1.00 0.33 N ATOM 923 CA HIS A 59 -5.519 1.646 -9.049 1.00 0.34 C ATOM 924 C HIS A 59 -4.286 1.442 -8.166 1.00 0.31 C ATOM 925 O HIS A 59 -3.553 2.369 -7.882 1.00 0.41 O ATOM 926 CB HIS A 59 -5.248 2.769 -10.053 1.00 0.42 C ATOM 927 CG HIS A 59 -5.255 2.208 -11.448 1.00 0.79 C ATOM 928 ND1 HIS A 59 -4.219 1.427 -11.936 1.00 1.62 N ATOM 929 CD2 HIS A 59 -6.164 2.306 -12.472 1.00 1.41 C ATOM 930 CE1 HIS A 59 -4.527 1.089 -13.202 1.00 1.77 C ATOM 931 NE2 HIS A 59 -5.703 1.599 -13.579 1.00 1.57 N ATOM 0 H HIS A 59 -6.458 2.261 -7.234 1.00 0.33 H new ATOM 0 HA HIS A 59 -5.737 0.723 -9.586 1.00 0.34 H new ATOM 0 HB2 HIS A 59 -6.006 3.546 -9.959 1.00 0.42 H new ATOM 0 HB3 HIS A 59 -4.286 3.235 -9.842 1.00 0.42 H new ATOM 0 HD2 HIS A 59 -7.096 2.850 -12.426 1.00 1.41 H new ATOM 0 HE1 HIS A 59 -3.900 0.480 -13.836 1.00 1.77 H new ATOM 0 HE2 HIS A 59 -6.164 1.493 -14.483 1.00 1.57 H new ATOM 939 N THR A 60 -4.051 0.235 -7.730 1.00 0.28 N ATOM 940 CA THR A 60 -2.866 -0.030 -6.866 1.00 0.28 C ATOM 941 C THR A 60 -2.223 -1.356 -7.277 1.00 0.28 C ATOM 942 O THR A 60 -1.875 -2.171 -6.447 1.00 0.31 O ATOM 943 CB THR A 60 -3.308 -0.111 -5.403 1.00 0.33 C ATOM 944 OG1 THR A 60 -3.884 -1.387 -5.155 1.00 0.50 O ATOM 945 CG2 THR A 60 -4.340 0.980 -5.117 1.00 0.41 C ATOM 0 H THR A 60 -4.629 -0.580 -7.935 1.00 0.28 H new ATOM 0 HA THR A 60 -2.143 0.778 -6.983 1.00 0.28 H new ATOM 0 HB THR A 60 -2.444 0.032 -4.754 1.00 0.33 H new ATOM 0 HG1 THR A 60 -3.193 -2.078 -5.229 1.00 0.50 H new ATOM 0 HG21 THR A 60 -4.653 0.920 -4.075 1.00 0.41 H new ATOM 0 HG22 THR A 60 -3.898 1.958 -5.308 1.00 0.41 H new ATOM 0 HG23 THR A 60 -5.206 0.841 -5.765 1.00 0.41 H new ATOM 953 N GLU A 61 -2.064 -1.579 -8.552 1.00 0.30 N ATOM 954 CA GLU A 61 -1.445 -2.853 -9.016 1.00 0.32 C ATOM 955 C GLU A 61 0.041 -2.881 -8.641 1.00 0.31 C ATOM 956 O GLU A 61 0.633 -3.932 -8.505 1.00 0.32 O ATOM 957 CB GLU A 61 -1.587 -2.963 -10.536 1.00 0.38 C ATOM 958 CG GLU A 61 -2.227 -4.305 -10.895 1.00 0.98 C ATOM 959 CD GLU A 61 -2.387 -4.405 -12.413 1.00 1.68 C ATOM 960 OE1 GLU A 61 -2.109 -3.425 -13.084 1.00 2.32 O ATOM 961 OE2 GLU A 61 -2.786 -5.460 -12.879 1.00 2.28 O ATOM 0 H GLU A 61 -2.336 -0.934 -9.294 1.00 0.30 H new ATOM 0 HA GLU A 61 -1.951 -3.691 -8.537 1.00 0.32 H new ATOM 0 HB2 GLU A 61 -2.199 -2.144 -10.915 1.00 0.38 H new ATOM 0 HB3 GLU A 61 -0.609 -2.876 -11.010 1.00 0.38 H new ATOM 0 HG2 GLU A 61 -1.608 -5.124 -10.529 1.00 0.98 H new ATOM 0 HG3 GLU A 61 -3.198 -4.398 -10.409 1.00 0.98 H new ATOM 968 N LEU A 62 0.651 -1.738 -8.477 1.00 0.30 N ATOM 969 CA LEU A 62 2.097 -1.711 -8.115 1.00 0.30 C ATOM 970 C LEU A 62 2.281 -2.155 -6.661 1.00 0.27 C ATOM 971 O LEU A 62 2.983 -3.104 -6.376 1.00 0.29 O ATOM 972 CB LEU A 62 2.634 -0.289 -8.284 1.00 0.32 C ATOM 973 CG LEU A 62 4.162 -0.322 -8.331 1.00 0.46 C ATOM 974 CD1 LEU A 62 4.622 -0.708 -9.738 1.00 0.78 C ATOM 975 CD2 LEU A 62 4.712 1.062 -7.978 1.00 0.56 C ATOM 0 H LEU A 62 0.211 -0.823 -8.578 1.00 0.30 H new ATOM 0 HA LEU A 62 2.643 -2.392 -8.768 1.00 0.30 H new ATOM 0 HB2 LEU A 62 2.241 0.153 -9.200 1.00 0.32 H new ATOM 0 HB3 LEU A 62 2.299 0.338 -7.458 1.00 0.32 H new ATOM 0 HG LEU A 62 4.531 -1.055 -7.614 1.00 0.46 H new ATOM 0 HD11 LEU A 62 5.711 -0.731 -9.771 1.00 0.78 H new ATOM 0 HD12 LEU A 62 4.230 -1.693 -9.992 1.00 0.78 H new ATOM 0 HD13 LEU A 62 4.253 0.025 -10.455 1.00 0.78 H new ATOM 0 HD21 LEU A 62 5.801 1.040 -8.011 1.00 0.56 H new ATOM 0 HD22 LEU A 62 4.342 1.794 -8.695 1.00 0.56 H new ATOM 0 HD23 LEU A 62 4.385 1.339 -6.976 1.00 0.56 H new ATOM 987 N LEU A 63 1.661 -1.473 -5.738 1.00 0.27 N ATOM 988 CA LEU A 63 1.806 -1.854 -4.304 1.00 0.27 C ATOM 989 C LEU A 63 1.319 -3.290 -4.095 1.00 0.25 C ATOM 990 O LEU A 63 2.042 -4.138 -3.606 1.00 0.24 O ATOM 991 CB LEU A 63 0.973 -0.903 -3.441 1.00 0.30 C ATOM 992 CG LEU A 63 1.216 -1.207 -1.961 1.00 0.31 C ATOM 993 CD1 LEU A 63 2.522 -0.551 -1.511 1.00 0.48 C ATOM 994 CD2 LEU A 63 0.056 -0.652 -1.131 1.00 0.49 C ATOM 0 H LEU A 63 1.060 -0.668 -5.914 1.00 0.27 H new ATOM 0 HA LEU A 63 2.856 -1.787 -4.018 1.00 0.27 H new ATOM 0 HB2 LEU A 63 1.241 0.131 -3.659 1.00 0.30 H new ATOM 0 HB3 LEU A 63 -0.085 -1.015 -3.677 1.00 0.30 H new ATOM 0 HG LEU A 63 1.284 -2.286 -1.819 1.00 0.31 H new ATOM 0 HD11 LEU A 63 2.694 -0.768 -0.457 1.00 0.48 H new ATOM 0 HD12 LEU A 63 3.349 -0.944 -2.102 1.00 0.48 H new ATOM 0 HD13 LEU A 63 2.455 0.528 -1.653 1.00 0.48 H new ATOM 0 HD21 LEU A 63 0.227 -0.868 -0.076 1.00 0.49 H new ATOM 0 HD22 LEU A 63 -0.011 0.426 -1.275 1.00 0.49 H new ATOM 0 HD23 LEU A 63 -0.876 -1.119 -1.450 1.00 0.49 H new ATOM 1006 N ARG A 64 0.098 -3.571 -4.455 1.00 0.28 N ATOM 1007 CA ARG A 64 -0.433 -4.950 -4.270 1.00 0.29 C ATOM 1008 C ARG A 64 0.477 -5.955 -4.980 1.00 0.29 C ATOM 1009 O ARG A 64 0.625 -7.077 -4.544 1.00 0.31 O ATOM 1010 CB ARG A 64 -1.855 -5.032 -4.839 1.00 0.34 C ATOM 1011 CG ARG A 64 -1.982 -6.231 -5.785 1.00 0.82 C ATOM 1012 CD ARG A 64 -3.437 -6.368 -6.238 1.00 0.95 C ATOM 1013 NE ARG A 64 -3.655 -7.726 -6.810 1.00 1.29 N ATOM 1014 CZ ARG A 64 -4.339 -7.866 -7.913 1.00 1.43 C ATOM 1015 NH1 ARG A 64 -4.003 -7.193 -8.979 1.00 1.99 N ATOM 1016 NH2 ARG A 64 -5.358 -8.680 -7.949 1.00 1.95 N ATOM 0 H ARG A 64 -0.555 -2.906 -4.869 1.00 0.28 H new ATOM 0 HA ARG A 64 -0.460 -5.189 -3.207 1.00 0.29 H new ATOM 0 HB2 ARG A 64 -2.575 -5.124 -4.025 1.00 0.34 H new ATOM 0 HB3 ARG A 64 -2.094 -4.112 -5.373 1.00 0.34 H new ATOM 0 HG2 ARG A 64 -1.331 -6.097 -6.649 1.00 0.82 H new ATOM 0 HG3 ARG A 64 -1.659 -7.142 -5.281 1.00 0.82 H new ATOM 0 HD2 ARG A 64 -4.108 -6.205 -5.395 1.00 0.95 H new ATOM 0 HD3 ARG A 64 -3.670 -5.607 -6.982 1.00 0.95 H new ATOM 0 HE ARG A 64 -3.270 -8.546 -6.340 1.00 1.29 H new ATOM 0 HH11 ARG A 64 -3.206 -6.557 -8.951 1.00 1.99 H new ATOM 0 HH12 ARG A 64 -4.538 -7.303 -9.841 1.00 1.99 H new ATOM 0 HH21 ARG A 64 -5.620 -9.207 -7.116 1.00 1.95 H new ATOM 0 HH22 ARG A 64 -5.893 -8.790 -8.811 1.00 1.95 H new ATOM 1030 N GLU A 65 1.090 -5.569 -6.067 1.00 0.30 N ATOM 1031 CA GLU A 65 1.987 -6.522 -6.784 1.00 0.32 C ATOM 1032 C GLU A 65 3.121 -6.936 -5.845 1.00 0.30 C ATOM 1033 O GLU A 65 3.471 -8.099 -5.745 1.00 0.31 O ATOM 1034 CB GLU A 65 2.570 -5.846 -8.028 1.00 0.36 C ATOM 1035 CG GLU A 65 3.774 -6.647 -8.528 1.00 1.05 C ATOM 1036 CD GLU A 65 3.810 -6.611 -10.057 1.00 1.50 C ATOM 1037 OE1 GLU A 65 3.644 -5.536 -10.609 1.00 2.18 O ATOM 1038 OE2 GLU A 65 4.004 -7.660 -10.650 1.00 2.11 O ATOM 0 H GLU A 65 1.010 -4.643 -6.487 1.00 0.30 H new ATOM 0 HA GLU A 65 1.421 -7.402 -7.090 1.00 0.32 H new ATOM 0 HB2 GLU A 65 1.812 -5.783 -8.809 1.00 0.36 H new ATOM 0 HB3 GLU A 65 2.871 -4.825 -7.793 1.00 0.36 H new ATOM 0 HG2 GLU A 65 4.696 -6.230 -8.122 1.00 1.05 H new ATOM 0 HG3 GLU A 65 3.709 -7.678 -8.179 1.00 1.05 H new ATOM 1045 N LEU A 66 3.695 -5.994 -5.150 1.00 0.29 N ATOM 1046 CA LEU A 66 4.801 -6.331 -4.215 1.00 0.30 C ATOM 1047 C LEU A 66 4.280 -7.316 -3.167 1.00 0.29 C ATOM 1048 O LEU A 66 4.943 -8.272 -2.816 1.00 0.31 O ATOM 1049 CB LEU A 66 5.296 -5.059 -3.525 1.00 0.31 C ATOM 1050 CG LEU A 66 5.753 -4.051 -4.580 1.00 0.54 C ATOM 1051 CD1 LEU A 66 5.564 -2.630 -4.045 1.00 1.29 C ATOM 1052 CD2 LEU A 66 7.232 -4.283 -4.898 1.00 0.76 C ATOM 0 H LEU A 66 3.445 -5.006 -5.190 1.00 0.29 H new ATOM 0 HA LEU A 66 5.627 -6.781 -4.766 1.00 0.30 H new ATOM 0 HB2 LEU A 66 4.500 -4.629 -2.917 1.00 0.31 H new ATOM 0 HB3 LEU A 66 6.120 -5.295 -2.851 1.00 0.31 H new ATOM 0 HG LEU A 66 5.161 -4.179 -5.486 1.00 0.54 H new ATOM 0 HD11 LEU A 66 5.890 -1.912 -4.797 1.00 1.29 H new ATOM 0 HD12 LEU A 66 4.511 -2.464 -3.817 1.00 1.29 H new ATOM 0 HD13 LEU A 66 6.156 -2.501 -3.139 1.00 1.29 H new ATOM 0 HD21 LEU A 66 7.559 -3.565 -5.650 1.00 0.76 H new ATOM 0 HD22 LEU A 66 7.824 -4.154 -3.992 1.00 0.76 H new ATOM 0 HD23 LEU A 66 7.368 -5.295 -5.279 1.00 0.76 H new ATOM 1064 N LEU A 67 3.093 -7.095 -2.668 1.00 0.27 N ATOM 1065 CA LEU A 67 2.534 -8.026 -1.648 1.00 0.27 C ATOM 1066 C LEU A 67 2.393 -9.418 -2.267 1.00 0.28 C ATOM 1067 O LEU A 67 2.495 -10.422 -1.590 1.00 0.31 O ATOM 1068 CB LEU A 67 1.159 -7.530 -1.186 1.00 0.27 C ATOM 1069 CG LEU A 67 1.242 -6.056 -0.773 1.00 0.32 C ATOM 1070 CD1 LEU A 67 0.126 -5.744 0.225 1.00 0.30 C ATOM 1071 CD2 LEU A 67 2.594 -5.775 -0.114 1.00 0.46 C ATOM 0 H LEU A 67 2.489 -6.313 -2.922 1.00 0.27 H new ATOM 0 HA LEU A 67 3.203 -8.068 -0.789 1.00 0.27 H new ATOM 0 HB2 LEU A 67 0.432 -7.650 -1.989 1.00 0.27 H new ATOM 0 HB3 LEU A 67 0.810 -8.132 -0.347 1.00 0.27 H new ATOM 0 HG LEU A 67 1.133 -5.431 -1.659 1.00 0.32 H new ATOM 0 HD11 LEU A 67 0.184 -4.696 0.520 1.00 0.30 H new ATOM 0 HD12 LEU A 67 -0.841 -5.938 -0.239 1.00 0.30 H new ATOM 0 HD13 LEU A 67 0.239 -6.375 1.106 1.00 0.30 H new ATOM 0 HD21 LEU A 67 2.646 -4.726 0.177 1.00 0.46 H new ATOM 0 HD22 LEU A 67 2.705 -6.403 0.770 1.00 0.46 H new ATOM 0 HD23 LEU A 67 3.395 -5.996 -0.819 1.00 0.46 H new ATOM 1083 N ALA A 68 2.164 -9.487 -3.551 1.00 0.28 N ATOM 1084 CA ALA A 68 2.022 -10.813 -4.212 1.00 0.31 C ATOM 1085 C ALA A 68 3.361 -11.542 -4.133 1.00 0.35 C ATOM 1086 O ALA A 68 3.418 -12.740 -3.939 1.00 0.38 O ATOM 1087 CB ALA A 68 1.629 -10.618 -5.678 1.00 0.34 C ATOM 0 H ALA A 68 2.069 -8.681 -4.169 1.00 0.28 H new ATOM 0 HA ALA A 68 1.249 -11.397 -3.713 1.00 0.31 H new ATOM 0 HB1 ALA A 68 1.526 -11.590 -6.159 1.00 0.34 H new ATOM 0 HB2 ALA A 68 0.681 -10.084 -5.732 1.00 0.34 H new ATOM 0 HB3 ALA A 68 2.400 -10.041 -6.188 1.00 0.34 H new ATOM 1093 N SER A 69 4.441 -10.825 -4.278 1.00 0.37 N ATOM 1094 CA SER A 69 5.778 -11.475 -4.202 1.00 0.43 C ATOM 1095 C SER A 69 6.011 -11.953 -2.767 1.00 0.44 C ATOM 1096 O SER A 69 6.653 -12.956 -2.530 1.00 0.49 O ATOM 1097 CB SER A 69 6.861 -10.468 -4.591 1.00 0.45 C ATOM 1098 OG SER A 69 8.102 -11.146 -4.737 1.00 1.39 O ATOM 0 H SER A 69 4.455 -9.819 -4.446 1.00 0.37 H new ATOM 0 HA SER A 69 5.819 -12.322 -4.886 1.00 0.43 H new ATOM 0 HB2 SER A 69 6.593 -9.971 -5.523 1.00 0.45 H new ATOM 0 HB3 SER A 69 6.944 -9.693 -3.829 1.00 0.45 H new ATOM 0 HG SER A 69 8.798 -10.504 -4.988 1.00 1.39 H new ATOM 1104 N LEU A 70 5.487 -11.237 -1.808 1.00 0.41 N ATOM 1105 CA LEU A 70 5.665 -11.638 -0.384 1.00 0.44 C ATOM 1106 C LEU A 70 4.797 -12.864 -0.065 1.00 0.42 C ATOM 1107 O LEU A 70 4.973 -13.501 0.955 1.00 0.47 O ATOM 1108 CB LEU A 70 5.246 -10.477 0.520 1.00 0.42 C ATOM 1109 CG LEU A 70 6.488 -9.732 1.007 1.00 0.58 C ATOM 1110 CD1 LEU A 70 7.198 -10.569 2.072 1.00 1.59 C ATOM 1111 CD2 LEU A 70 7.437 -9.494 -0.171 1.00 1.79 C ATOM 0 H LEU A 70 4.941 -10.388 -1.952 1.00 0.41 H new ATOM 0 HA LEU A 70 6.712 -11.889 -0.212 1.00 0.44 H new ATOM 0 HB2 LEU A 70 4.592 -9.796 -0.025 1.00 0.42 H new ATOM 0 HB3 LEU A 70 4.678 -10.852 1.371 1.00 0.42 H new ATOM 0 HG LEU A 70 6.192 -8.774 1.434 1.00 0.58 H new ATOM 0 HD11 LEU A 70 8.084 -10.039 2.420 1.00 1.59 H new ATOM 0 HD12 LEU A 70 6.523 -10.738 2.911 1.00 1.59 H new ATOM 0 HD13 LEU A 70 7.493 -11.527 1.645 1.00 1.59 H new ATOM 0 HD21 LEU A 70 8.323 -8.963 0.177 1.00 1.79 H new ATOM 0 HD22 LEU A 70 7.733 -10.452 -0.599 1.00 1.79 H new ATOM 0 HD23 LEU A 70 6.931 -8.898 -0.931 1.00 1.79 H new ATOM 1123 N ARG A 71 3.862 -13.199 -0.922 1.00 0.39 N ATOM 1124 CA ARG A 71 2.988 -14.379 -0.662 1.00 0.42 C ATOM 1125 C ARG A 71 2.066 -14.078 0.521 1.00 0.36 C ATOM 1126 O ARG A 71 1.800 -14.928 1.347 1.00 0.39 O ATOM 1127 CB ARG A 71 3.849 -15.605 -0.346 1.00 0.54 C ATOM 1128 CG ARG A 71 3.194 -16.857 -0.935 1.00 0.97 C ATOM 1129 CD ARG A 71 4.234 -17.654 -1.724 1.00 1.23 C ATOM 1130 NE ARG A 71 3.599 -18.881 -2.282 1.00 1.66 N ATOM 1131 CZ ARG A 71 4.336 -19.804 -2.837 1.00 2.19 C ATOM 1132 NH1 ARG A 71 5.047 -19.523 -3.894 1.00 2.89 N ATOM 1133 NH2 ARG A 71 4.361 -21.008 -2.334 1.00 2.67 N ATOM 0 H ARG A 71 3.669 -12.702 -1.792 1.00 0.39 H new ATOM 0 HA ARG A 71 2.388 -14.585 -1.548 1.00 0.42 H new ATOM 0 HB2 ARG A 71 4.849 -15.476 -0.760 1.00 0.54 H new ATOM 0 HB3 ARG A 71 3.962 -15.714 0.733 1.00 0.54 H new ATOM 0 HG2 ARG A 71 2.778 -17.472 -0.137 1.00 0.97 H new ATOM 0 HG3 ARG A 71 2.366 -16.575 -1.586 1.00 0.97 H new ATOM 0 HD2 ARG A 71 4.641 -17.043 -2.530 1.00 1.23 H new ATOM 0 HD3 ARG A 71 5.068 -17.925 -1.077 1.00 1.23 H new ATOM 0 HE ARG A 71 2.587 -19.000 -2.230 1.00 1.66 H new ATOM 0 HH11 ARG A 71 5.027 -18.582 -4.287 1.00 2.89 H new ATOM 0 HH12 ARG A 71 5.623 -20.244 -4.328 1.00 2.89 H new ATOM 0 HH21 ARG A 71 3.805 -21.227 -1.508 1.00 2.67 H new ATOM 0 HH22 ARG A 71 4.937 -21.730 -2.767 1.00 2.67 H new ATOM 1147 N ARG A 72 1.575 -12.872 0.605 1.00 0.35 N ATOM 1148 CA ARG A 72 0.668 -12.514 1.731 1.00 0.36 C ATOM 1149 C ARG A 72 -0.768 -12.891 1.360 1.00 0.44 C ATOM 1150 O ARG A 72 -1.008 -13.547 0.367 1.00 0.86 O ATOM 1151 CB ARG A 72 0.750 -11.008 1.992 1.00 0.43 C ATOM 1152 CG ARG A 72 1.627 -10.749 3.218 1.00 0.77 C ATOM 1153 CD ARG A 72 0.903 -11.231 4.476 1.00 0.69 C ATOM 1154 NE ARG A 72 1.473 -10.547 5.670 1.00 0.86 N ATOM 1155 CZ ARG A 72 1.266 -11.035 6.863 1.00 1.06 C ATOM 1156 NH1 ARG A 72 0.115 -10.855 7.451 1.00 1.82 N ATOM 1157 NH2 ARG A 72 2.210 -11.703 7.467 1.00 1.45 N ATOM 0 H ARG A 72 1.763 -12.119 -0.057 1.00 0.35 H new ATOM 0 HA ARG A 72 0.967 -13.054 2.629 1.00 0.36 H new ATOM 0 HB2 ARG A 72 1.164 -10.499 1.121 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -0.248 -10.601 2.154 1.00 0.43 H new ATOM 0 HG2 ARG A 72 2.580 -11.268 3.113 1.00 0.77 H new ATOM 0 HG3 ARG A 72 1.851 -9.685 3.300 1.00 0.77 H new ATOM 0 HD2 ARG A 72 -0.164 -11.021 4.398 1.00 0.69 H new ATOM 0 HD3 ARG A 72 1.008 -12.311 4.578 1.00 0.69 H new ATOM 0 HE ARG A 72 2.025 -9.697 5.556 1.00 0.86 H new ATOM 0 HH11 ARG A 72 -0.623 -10.333 6.978 1.00 1.82 H new ATOM 0 HH12 ARG A 72 -0.047 -11.236 8.383 1.00 1.82 H new ATOM 0 HH21 ARG A 72 3.109 -11.844 7.007 1.00 1.45 H new ATOM 0 HH22 ARG A 72 2.049 -12.084 8.399 1.00 1.45 H new ATOM 1171 N HIS A 73 -1.724 -12.482 2.148 1.00 0.42 N ATOM 1172 CA HIS A 73 -3.140 -12.821 1.833 1.00 0.50 C ATOM 1173 C HIS A 73 -4.069 -11.801 2.496 1.00 0.48 C ATOM 1174 O HIS A 73 -4.982 -11.289 1.880 1.00 0.52 O ATOM 1175 CB HIS A 73 -3.459 -14.222 2.363 1.00 0.63 C ATOM 1176 CG HIS A 73 -3.848 -15.121 1.220 1.00 1.30 C ATOM 1177 ND1 HIS A 73 -4.700 -16.201 1.389 1.00 1.84 N ATOM 1178 CD2 HIS A 73 -3.507 -15.118 -0.110 1.00 2.35 C ATOM 1179 CE1 HIS A 73 -4.842 -16.798 0.191 1.00 2.57 C ATOM 1180 NE2 HIS A 73 -4.136 -16.177 -0.758 1.00 2.95 N ATOM 0 H HIS A 73 -1.586 -11.929 2.994 1.00 0.42 H new ATOM 0 HA HIS A 73 -3.287 -12.798 0.753 1.00 0.50 H new ATOM 0 HB2 HIS A 73 -2.592 -14.631 2.881 1.00 0.63 H new ATOM 0 HB3 HIS A 73 -4.270 -14.170 3.090 1.00 0.63 H new ATOM 0 HD2 HIS A 73 -2.850 -14.402 -0.582 1.00 2.35 H new ATOM 0 HE1 HIS A 73 -5.452 -17.672 0.018 1.00 2.57 H new ATOM 0 HE2 HIS A 73 -4.072 -16.426 -1.745 1.00 2.95 H new ATOM 1188 N ASP A 74 -3.844 -11.503 3.746 1.00 0.49 N ATOM 1189 CA ASP A 74 -4.715 -10.516 4.444 1.00 0.53 C ATOM 1190 C ASP A 74 -4.411 -9.109 3.927 1.00 0.44 C ATOM 1191 O ASP A 74 -5.293 -8.286 3.782 1.00 0.43 O ATOM 1192 CB ASP A 74 -4.445 -10.574 5.950 1.00 0.63 C ATOM 1193 CG ASP A 74 -5.186 -11.767 6.557 1.00 0.83 C ATOM 1194 OD1 ASP A 74 -5.361 -12.750 5.855 1.00 1.58 O ATOM 1195 OD2 ASP A 74 -5.565 -11.678 7.713 1.00 1.23 O ATOM 0 H ASP A 74 -3.095 -11.900 4.314 1.00 0.49 H new ATOM 0 HA ASP A 74 -5.761 -10.755 4.251 1.00 0.53 H new ATOM 0 HB2 ASP A 74 -3.375 -10.665 6.135 1.00 0.63 H new ATOM 0 HB3 ASP A 74 -4.773 -9.649 6.425 1.00 0.63 H new ATOM 1200 N LEU A 75 -3.168 -8.826 3.647 1.00 0.41 N ATOM 1201 CA LEU A 75 -2.806 -7.472 3.140 1.00 0.36 C ATOM 1202 C LEU A 75 -3.272 -7.322 1.690 1.00 0.30 C ATOM 1203 O LEU A 75 -3.708 -6.267 1.274 1.00 0.30 O ATOM 1204 CB LEU A 75 -1.287 -7.295 3.207 1.00 0.40 C ATOM 1205 CG LEU A 75 -0.922 -6.470 4.442 1.00 0.57 C ATOM 1206 CD1 LEU A 75 -1.445 -5.043 4.275 1.00 1.00 C ATOM 1207 CD2 LEU A 75 -1.556 -7.103 5.683 1.00 0.80 C ATOM 0 H LEU A 75 -2.387 -9.474 3.748 1.00 0.41 H new ATOM 0 HA LEU A 75 -3.291 -6.714 3.755 1.00 0.36 H new ATOM 0 HB2 LEU A 75 -0.799 -8.269 3.250 1.00 0.40 H new ATOM 0 HB3 LEU A 75 -0.928 -6.798 2.306 1.00 0.40 H new ATOM 0 HG LEU A 75 0.162 -6.449 4.557 1.00 0.57 H new ATOM 0 HD11 LEU A 75 -1.185 -4.455 5.155 1.00 1.00 H new ATOM 0 HD12 LEU A 75 -0.995 -4.592 3.391 1.00 1.00 H new ATOM 0 HD13 LEU A 75 -2.529 -5.064 4.160 1.00 1.00 H new ATOM 0 HD21 LEU A 75 -1.296 -6.516 6.564 1.00 0.80 H new ATOM 0 HD22 LEU A 75 -2.640 -7.124 5.567 1.00 0.80 H new ATOM 0 HD23 LEU A 75 -1.184 -8.121 5.803 1.00 0.80 H new ATOM 1219 N LEU A 76 -3.181 -8.369 0.917 1.00 0.36 N ATOM 1220 CA LEU A 76 -3.616 -8.287 -0.507 1.00 0.37 C ATOM 1221 C LEU A 76 -5.147 -8.287 -0.589 1.00 0.37 C ATOM 1222 O LEU A 76 -5.722 -7.815 -1.550 1.00 0.37 O ATOM 1223 CB LEU A 76 -3.069 -9.492 -1.274 1.00 0.48 C ATOM 1224 CG LEU A 76 -1.663 -9.179 -1.784 1.00 0.29 C ATOM 1225 CD1 LEU A 76 -0.944 -10.483 -2.132 1.00 0.69 C ATOM 1226 CD2 LEU A 76 -1.759 -8.301 -3.034 1.00 0.66 C ATOM 0 H LEU A 76 -2.824 -9.279 1.210 1.00 0.36 H new ATOM 0 HA LEU A 76 -3.234 -7.365 -0.945 1.00 0.37 H new ATOM 0 HB2 LEU A 76 -3.045 -10.368 -0.626 1.00 0.48 H new ATOM 0 HB3 LEU A 76 -3.725 -9.732 -2.111 1.00 0.48 H new ATOM 0 HG LEU A 76 -1.105 -8.652 -1.010 1.00 0.29 H new ATOM 0 HD11 LEU A 76 0.059 -10.260 -2.496 1.00 0.69 H new ATOM 0 HD12 LEU A 76 -0.876 -11.110 -1.243 1.00 0.69 H new ATOM 0 HD13 LEU A 76 -1.502 -11.011 -2.906 1.00 0.69 H new ATOM 0 HD21 LEU A 76 -0.757 -8.077 -3.399 1.00 0.66 H new ATOM 0 HD22 LEU A 76 -2.317 -8.829 -3.807 1.00 0.66 H new ATOM 0 HD23 LEU A 76 -2.272 -7.371 -2.787 1.00 0.66 H new ATOM 1238 N ARG A 77 -5.813 -8.814 0.403 1.00 0.41 N ATOM 1239 CA ARG A 77 -7.303 -8.842 0.366 1.00 0.44 C ATOM 1240 C ARG A 77 -7.859 -7.454 0.696 1.00 0.38 C ATOM 1241 O ARG A 77 -8.760 -6.968 0.045 1.00 0.40 O ATOM 1242 CB ARG A 77 -7.817 -9.855 1.392 1.00 0.53 C ATOM 1243 CG ARG A 77 -9.218 -10.320 0.992 1.00 0.99 C ATOM 1244 CD ARG A 77 -9.447 -11.746 1.498 1.00 1.32 C ATOM 1245 NE ARG A 77 -10.436 -12.432 0.620 1.00 1.75 N ATOM 1246 CZ ARG A 77 -11.062 -13.494 1.048 1.00 2.42 C ATOM 1247 NH1 ARG A 77 -10.490 -14.664 0.968 1.00 3.13 N ATOM 1248 NH2 ARG A 77 -12.259 -13.386 1.555 1.00 3.00 N ATOM 0 H ARG A 77 -5.391 -9.225 1.235 1.00 0.41 H new ATOM 0 HA ARG A 77 -7.632 -9.131 -0.632 1.00 0.44 H new ATOM 0 HB2 ARG A 77 -7.141 -10.708 1.447 1.00 0.53 H new ATOM 0 HB3 ARG A 77 -7.841 -9.404 2.384 1.00 0.53 H new ATOM 0 HG2 ARG A 77 -9.968 -9.649 1.411 1.00 0.99 H new ATOM 0 HG3 ARG A 77 -9.329 -10.285 -0.092 1.00 0.99 H new ATOM 0 HD2 ARG A 77 -8.506 -12.297 1.504 1.00 1.32 H new ATOM 0 HD3 ARG A 77 -9.810 -11.725 2.526 1.00 1.32 H new ATOM 0 HE ARG A 77 -10.624 -12.072 -0.316 1.00 1.75 H new ATOM 0 HH11 ARG A 77 -9.554 -14.748 0.571 1.00 3.13 H new ATOM 0 HH12 ARG A 77 -10.979 -15.495 1.302 1.00 3.13 H new ATOM 0 HH21 ARG A 77 -12.706 -12.471 1.617 1.00 3.00 H new ATOM 0 HH22 ARG A 77 -12.748 -14.216 1.889 1.00 3.00 H new ATOM 1262 N ARG A 78 -7.332 -6.814 1.704 1.00 0.35 N ATOM 1263 CA ARG A 78 -7.837 -5.459 2.071 1.00 0.33 C ATOM 1264 C ARG A 78 -7.471 -4.458 0.973 1.00 0.28 C ATOM 1265 O ARG A 78 -8.319 -3.776 0.429 1.00 0.26 O ATOM 1266 CB ARG A 78 -7.203 -5.021 3.393 1.00 0.38 C ATOM 1267 CG ARG A 78 -8.130 -5.390 4.553 1.00 0.89 C ATOM 1268 CD ARG A 78 -7.524 -4.898 5.869 1.00 1.07 C ATOM 1269 NE ARG A 78 -8.618 -4.568 6.826 1.00 1.36 N ATOM 1270 CZ ARG A 78 -8.804 -5.307 7.885 1.00 1.91 C ATOM 1271 NH1 ARG A 78 -7.834 -5.478 8.741 1.00 2.54 N ATOM 1272 NH2 ARG A 78 -9.961 -5.875 8.088 1.00 2.57 N ATOM 0 H ARG A 78 -6.575 -7.169 2.289 1.00 0.35 H new ATOM 0 HA ARG A 78 -8.921 -5.494 2.180 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -6.234 -5.503 3.521 1.00 0.38 H new ATOM 0 HB3 ARG A 78 -7.025 -3.946 3.384 1.00 0.38 H new ATOM 0 HG2 ARG A 78 -9.113 -4.943 4.403 1.00 0.89 H new ATOM 0 HG3 ARG A 78 -8.274 -6.470 4.588 1.00 0.89 H new ATOM 0 HD2 ARG A 78 -6.875 -5.665 6.292 1.00 1.07 H new ATOM 0 HD3 ARG A 78 -6.905 -4.019 5.691 1.00 1.07 H new ATOM 0 HE ARG A 78 -9.221 -3.764 6.653 1.00 1.36 H new ATOM 0 HH11 ARG A 78 -6.930 -5.034 8.582 1.00 2.54 H new ATOM 0 HH12 ARG A 78 -7.980 -6.056 9.569 1.00 2.54 H new ATOM 0 HH21 ARG A 78 -10.719 -5.741 7.419 1.00 2.57 H new ATOM 0 HH22 ARG A 78 -10.107 -6.453 8.916 1.00 2.57 H new ATOM 1286 N VAL A 79 -6.212 -4.363 0.643 1.00 0.29 N ATOM 1287 CA VAL A 79 -5.785 -3.407 -0.418 1.00 0.28 C ATOM 1288 C VAL A 79 -6.563 -3.685 -1.706 1.00 0.28 C ATOM 1289 O VAL A 79 -7.169 -2.803 -2.281 1.00 0.29 O ATOM 1290 CB VAL A 79 -4.288 -3.580 -0.680 1.00 0.34 C ATOM 1291 CG1 VAL A 79 -3.881 -2.749 -1.897 1.00 0.33 C ATOM 1292 CG2 VAL A 79 -3.500 -3.110 0.545 1.00 0.47 C ATOM 0 H VAL A 79 -5.459 -4.908 1.063 1.00 0.29 H new ATOM 0 HA VAL A 79 -5.985 -2.387 -0.090 1.00 0.28 H new ATOM 0 HB VAL A 79 -4.072 -4.631 -0.872 1.00 0.34 H new ATOM 0 HG11 VAL A 79 -2.814 -2.873 -2.082 1.00 0.33 H new ATOM 0 HG12 VAL A 79 -4.442 -3.083 -2.770 1.00 0.33 H new ATOM 0 HG13 VAL A 79 -4.096 -1.697 -1.708 1.00 0.33 H new ATOM 0 HG21 VAL A 79 -2.433 -3.233 0.360 1.00 0.47 H new ATOM 0 HG22 VAL A 79 -3.717 -2.059 0.736 1.00 0.47 H new ATOM 0 HG23 VAL A 79 -3.788 -3.703 1.413 1.00 0.47 H new ATOM 1302 N ASP A 80 -6.547 -4.906 -2.164 1.00 0.32 N ATOM 1303 CA ASP A 80 -7.281 -5.247 -3.417 1.00 0.37 C ATOM 1304 C ASP A 80 -8.767 -4.915 -3.258 1.00 0.34 C ATOM 1305 O ASP A 80 -9.455 -4.640 -4.220 1.00 0.37 O ATOM 1306 CB ASP A 80 -7.124 -6.741 -3.706 1.00 0.45 C ATOM 1307 CG ASP A 80 -7.618 -7.042 -5.122 1.00 0.70 C ATOM 1308 OD1 ASP A 80 -8.153 -6.140 -5.746 1.00 1.25 O ATOM 1309 OD2 ASP A 80 -7.454 -8.170 -5.558 1.00 1.43 O ATOM 0 H ASP A 80 -6.056 -5.685 -1.724 1.00 0.32 H new ATOM 0 HA ASP A 80 -6.870 -4.666 -4.243 1.00 0.37 H new ATOM 0 HB2 ASP A 80 -6.079 -7.034 -3.604 1.00 0.45 H new ATOM 0 HB3 ASP A 80 -7.691 -7.324 -2.980 1.00 0.45 H new ATOM 1314 N ASP A 81 -9.271 -4.939 -2.054 1.00 0.32 N ATOM 1315 CA ASP A 81 -10.713 -4.626 -1.844 1.00 0.32 C ATOM 1316 C ASP A 81 -10.990 -3.177 -2.252 1.00 0.31 C ATOM 1317 O ASP A 81 -11.777 -2.911 -3.138 1.00 0.39 O ATOM 1318 CB ASP A 81 -11.067 -4.813 -0.368 1.00 0.33 C ATOM 1319 CG ASP A 81 -12.316 -5.688 -0.249 1.00 0.98 C ATOM 1320 OD1 ASP A 81 -12.427 -6.634 -1.011 1.00 1.82 O ATOM 1321 OD2 ASP A 81 -13.140 -5.398 0.602 1.00 1.62 O ATOM 0 H ASP A 81 -8.747 -5.162 -1.208 1.00 0.32 H new ATOM 0 HA ASP A 81 -11.319 -5.297 -2.453 1.00 0.32 H new ATOM 0 HB2 ASP A 81 -10.234 -5.276 0.161 1.00 0.33 H new ATOM 0 HB3 ASP A 81 -11.243 -3.844 0.100 1.00 0.33 H new ATOM 1326 N PHE A 82 -10.352 -2.239 -1.609 1.00 0.26 N ATOM 1327 CA PHE A 82 -10.581 -0.807 -1.957 1.00 0.27 C ATOM 1328 C PHE A 82 -10.186 -0.549 -3.416 1.00 0.32 C ATOM 1329 O PHE A 82 -10.662 0.379 -4.040 1.00 0.39 O ATOM 1330 CB PHE A 82 -9.740 0.079 -1.036 1.00 0.26 C ATOM 1331 CG PHE A 82 -10.574 0.505 0.149 1.00 0.39 C ATOM 1332 CD1 PHE A 82 -11.274 -0.456 0.889 1.00 1.39 C ATOM 1333 CD2 PHE A 82 -10.647 1.855 0.510 1.00 1.23 C ATOM 1334 CE1 PHE A 82 -12.047 -0.067 1.988 1.00 1.56 C ATOM 1335 CE2 PHE A 82 -11.421 2.244 1.610 1.00 1.34 C ATOM 1336 CZ PHE A 82 -12.120 1.283 2.349 1.00 0.98 C ATOM 0 H PHE A 82 -9.682 -2.401 -0.857 1.00 0.26 H new ATOM 0 HA PHE A 82 -11.638 -0.573 -1.829 1.00 0.27 H new ATOM 0 HB2 PHE A 82 -8.858 -0.464 -0.697 1.00 0.26 H new ATOM 0 HB3 PHE A 82 -9.386 0.955 -1.580 1.00 0.26 H new ATOM 0 HD1 PHE A 82 -11.217 -1.498 0.611 1.00 1.39 H new ATOM 0 HD2 PHE A 82 -10.107 2.597 -0.060 1.00 1.23 H new ATOM 0 HE1 PHE A 82 -12.587 -0.808 2.558 1.00 1.56 H new ATOM 0 HE2 PHE A 82 -11.479 3.286 1.888 1.00 1.34 H new ATOM 0 HZ PHE A 82 -12.716 1.583 3.198 1.00 0.98 H new ATOM 1346 N GLU A 83 -9.321 -1.358 -3.968 1.00 0.33 N ATOM 1347 CA GLU A 83 -8.905 -1.147 -5.384 1.00 0.41 C ATOM 1348 C GLU A 83 -10.073 -1.468 -6.320 1.00 0.44 C ATOM 1349 O GLU A 83 -10.291 -0.796 -7.308 1.00 0.50 O ATOM 1350 CB GLU A 83 -7.725 -2.064 -5.712 1.00 0.48 C ATOM 1351 CG GLU A 83 -7.214 -1.754 -7.120 1.00 0.61 C ATOM 1352 CD GLU A 83 -7.039 -3.059 -7.899 1.00 0.80 C ATOM 1353 OE1 GLU A 83 -7.998 -3.809 -7.983 1.00 1.51 O ATOM 1354 OE2 GLU A 83 -5.949 -3.287 -8.397 1.00 1.44 O ATOM 0 H GLU A 83 -8.886 -2.153 -3.501 1.00 0.33 H new ATOM 0 HA GLU A 83 -8.609 -0.107 -5.520 1.00 0.41 H new ATOM 0 HB2 GLU A 83 -6.926 -1.921 -4.984 1.00 0.48 H new ATOM 0 HB3 GLU A 83 -8.033 -3.108 -5.647 1.00 0.48 H new ATOM 0 HG2 GLU A 83 -7.916 -1.101 -7.638 1.00 0.61 H new ATOM 0 HG3 GLU A 83 -6.265 -1.221 -7.065 1.00 0.61 H new TER 1361 GLU A 83 END