USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) HEADER APOPTOSIS 18-DEC-97 1A1Z TITLE FADD DEATH EFFECTOR DOMAIN, F25G 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 1A1Z 1 VERSN REVDAT 2 16-FEB-99 1A1Z 1 SOURCE COMPND REMARK JRNL REVDAT 2 2 1 EXPDTA KEYWDS HEADER REVDAT 1 30-DEC-98 1A1Z 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 1A1Z 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 : 100 MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : H2O 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 : DREAMWALKER-WOOHOO 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 : TOTAL ENERGY 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 SER A 16 -174.52 64.29 REMARK 500 ARG A 30 -66.72 -159.27 REMARK 500 VAL A 31 -72.60 -80.03 REMARK 500 GLN A 40 -47.32 -140.99 REMARK 500 SER A 41 -161.07 -117.27 REMARK 500 GLN A 52 88.85 -167.81 REMARK 500 ASN A 53 -71.06 -168.90 REMARK 500 ASP A 54 70.29 -173.12 REMARK 500 LEU A 55 116.48 -165.88 REMARK 500 PRO A 57 93.44 -49.15 REMARK 500 HIS A 59 50.91 -179.34 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 0.32 SIDE_CHAIN REMARK 500 ARG A 34 0.26 SIDE_CHAIN REMARK 500 ARG A 38 0.32 SIDE_CHAIN REMARK 500 ARG A 64 0.30 SIDE_CHAIN REMARK 500 ARG A 71 0.31 SIDE_CHAIN REMARK 500 ARG A 72 0.24 SIDE_CHAIN REMARK 500 ARG A 77 0.17 SIDE_CHAIN REMARK 500 ARG A 78 0.26 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1A1Z A 1 83 UNP Q13158 FADD_HUMAN 1 83 SEQADV 1A1Z GLY 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 GLY 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 LEU A 28 1 26 HELIX 2 2 LYS A 33 ARG A 38 1 6 HELIX 3 3 GLY A 42 GLN A 52 1 11 HELIX 4 4 GLU A 61 LEU A 70 1 10 HELIX 5 5 HIS A 73 ASP A 81 1 9 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+ -151:sc= -0.211 (180deg=-1.6!) USER MOD Single : A 9 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -140:sc=-0.00154 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 160:sc= -0.0274 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 99:sc= 1.26 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 85:sc= -1.03! 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= -0.0379 X(o=-0.038,f=-0.22) USER MOD Single : A 41 SER OG : rot 80:sc= 1.27 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -111:sc= -1.41 (180deg=-5.53!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.7!) USER MOD Single : A 59 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 60 THR OG1 : rot -177:sc= 0.756 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.528 12.110 7.489 1.00 1.53 N ATOM 2 CA MET A 1 -7.765 10.643 7.602 1.00 0.76 C ATOM 3 C MET A 1 -8.426 10.133 6.320 1.00 0.64 C ATOM 4 O MET A 1 -9.603 9.831 6.295 1.00 0.76 O ATOM 5 CB MET A 1 -8.682 10.365 8.795 1.00 1.67 C ATOM 6 CG MET A 1 -8.304 11.287 9.956 1.00 2.23 C ATOM 7 SD MET A 1 -8.510 10.402 11.521 1.00 3.23 S ATOM 8 CE MET A 1 -7.010 11.014 12.327 1.00 4.17 C ATOM 0 H1 MET A 1 -6.699 12.373 8.060 1.00 1.53 H new ATOM 0 H2 MET A 1 -7.356 12.358 6.494 1.00 1.53 H new ATOM 0 H3 MET A 1 -8.363 12.624 7.834 1.00 1.53 H new ATOM 0 HA MET A 1 -6.814 10.131 7.748 1.00 0.76 H new ATOM 0 HB2 MET A 1 -9.722 10.526 8.513 1.00 1.67 H new ATOM 0 HB3 MET A 1 -8.593 9.323 9.101 1.00 1.67 H new ATOM 0 HG2 MET A 1 -7.272 11.621 9.848 1.00 2.23 H new ATOM 0 HG3 MET A 1 -8.931 12.179 9.945 1.00 2.23 H new ATOM 0 HE1 MET A 1 -6.934 10.587 13.327 1.00 4.17 H new ATOM 0 HE2 MET A 1 -6.138 10.724 11.741 1.00 4.17 H new ATOM 0 HE3 MET A 1 -7.053 12.101 12.399 1.00 4.17 H new ATOM 20 N ASP A 2 -7.679 10.035 5.255 1.00 0.53 N ATOM 21 CA ASP A 2 -8.266 9.545 3.976 1.00 0.48 C ATOM 22 C ASP A 2 -8.840 8.141 4.184 1.00 0.42 C ATOM 23 O ASP A 2 -8.520 7.476 5.150 1.00 0.46 O ATOM 24 CB ASP A 2 -7.177 9.497 2.902 1.00 0.59 C ATOM 25 CG ASP A 2 -7.249 10.762 2.045 1.00 0.85 C ATOM 26 OD1 ASP A 2 -8.047 10.785 1.123 1.00 1.47 O ATOM 27 OD2 ASP A 2 -6.504 11.687 2.325 1.00 1.48 O ATOM 0 H ASP A 2 -6.688 10.273 5.215 1.00 0.53 H new ATOM 0 HA ASP A 2 -9.061 10.219 3.658 1.00 0.48 H new ATOM 0 HB2 ASP A 2 -6.195 9.416 3.368 1.00 0.59 H new ATOM 0 HB3 ASP A 2 -7.307 8.614 2.277 1.00 0.59 H new ATOM 32 N PRO A 3 -9.674 7.735 3.264 1.00 0.42 N ATOM 33 CA PRO A 3 -10.323 6.420 3.296 1.00 0.37 C ATOM 34 C PRO A 3 -9.298 5.326 2.987 1.00 0.30 C ATOM 35 O PRO A 3 -9.197 4.340 3.691 1.00 0.27 O ATOM 36 CB PRO A 3 -11.402 6.464 2.220 1.00 0.43 C ATOM 37 CG PRO A 3 -10.879 7.551 1.249 1.00 0.72 C ATOM 38 CD PRO A 3 -10.054 8.554 2.093 1.00 0.55 C ATOM 0 HA PRO A 3 -10.749 6.198 4.275 1.00 0.37 H new ATOM 0 HB2 PRO A 3 -11.517 5.500 1.724 1.00 0.43 H new ATOM 0 HB3 PRO A 3 -12.375 6.727 2.634 1.00 0.43 H new ATOM 0 HG2 PRO A 3 -10.263 7.106 0.468 1.00 0.72 H new ATOM 0 HG3 PRO A 3 -11.708 8.055 0.752 1.00 0.72 H new ATOM 0 HD2 PRO A 3 -9.182 8.921 1.552 1.00 0.55 H new ATOM 0 HD3 PRO A 3 -10.642 9.426 2.379 1.00 0.55 H new ATOM 46 N PHE A 4 -8.536 5.491 1.941 1.00 0.31 N ATOM 47 CA PHE A 4 -7.518 4.460 1.593 1.00 0.26 C ATOM 48 C PHE A 4 -6.546 4.284 2.764 1.00 0.24 C ATOM 49 O PHE A 4 -5.941 3.243 2.924 1.00 0.22 O ATOM 50 CB PHE A 4 -6.744 4.899 0.349 1.00 0.29 C ATOM 51 CG PHE A 4 -6.426 3.688 -0.495 1.00 0.26 C ATOM 52 CD1 PHE A 4 -5.336 2.872 -0.166 1.00 1.15 C ATOM 53 CD2 PHE A 4 -7.222 3.378 -1.603 1.00 1.22 C ATOM 54 CE1 PHE A 4 -5.043 1.747 -0.946 1.00 1.16 C ATOM 55 CE2 PHE A 4 -6.930 2.252 -2.383 1.00 1.20 C ATOM 56 CZ PHE A 4 -5.840 1.436 -2.054 1.00 0.25 C ATOM 0 H PHE A 4 -8.574 6.294 1.313 1.00 0.31 H new ATOM 0 HA PHE A 4 -8.019 3.513 1.391 1.00 0.26 H new ATOM 0 HB2 PHE A 4 -7.333 5.613 -0.227 1.00 0.29 H new ATOM 0 HB3 PHE A 4 -5.824 5.406 0.639 1.00 0.29 H new ATOM 0 HD1 PHE A 4 -4.722 3.111 0.689 1.00 1.15 H new ATOM 0 HD2 PHE A 4 -8.062 4.007 -1.857 1.00 1.22 H new ATOM 0 HE1 PHE A 4 -4.202 1.119 -0.693 1.00 1.16 H new ATOM 0 HE2 PHE A 4 -7.545 2.013 -3.238 1.00 1.20 H new ATOM 0 HZ PHE A 4 -5.615 0.567 -2.655 1.00 0.25 H new ATOM 66 N LEU A 5 -6.391 5.290 3.584 1.00 0.27 N ATOM 67 CA LEU A 5 -5.458 5.171 4.740 1.00 0.28 C ATOM 68 C LEU A 5 -6.107 4.313 5.828 1.00 0.27 C ATOM 69 O LEU A 5 -5.509 3.386 6.341 1.00 0.27 O ATOM 70 CB LEU A 5 -5.157 6.563 5.299 1.00 0.34 C ATOM 71 CG LEU A 5 -3.754 6.994 4.869 1.00 0.37 C ATOM 72 CD1 LEU A 5 -3.500 8.432 5.325 1.00 0.97 C ATOM 73 CD2 LEU A 5 -2.719 6.067 5.509 1.00 1.09 C ATOM 0 H LEU A 5 -6.870 6.187 3.503 1.00 0.27 H new ATOM 0 HA LEU A 5 -4.529 4.704 4.413 1.00 0.28 H new ATOM 0 HB2 LEU A 5 -5.895 7.279 4.938 1.00 0.34 H new ATOM 0 HB3 LEU A 5 -5.228 6.553 6.387 1.00 0.34 H new ATOM 0 HG LEU A 5 -3.673 6.937 3.784 1.00 0.37 H new ATOM 0 HD11 LEU A 5 -2.500 8.740 5.019 1.00 0.97 H new ATOM 0 HD12 LEU A 5 -4.238 9.093 4.871 1.00 0.97 H new ATOM 0 HD13 LEU A 5 -3.581 8.489 6.411 1.00 0.97 H new ATOM 0 HD21 LEU A 5 -1.718 6.373 5.203 1.00 1.09 H new ATOM 0 HD22 LEU A 5 -2.801 6.125 6.594 1.00 1.09 H new ATOM 0 HD23 LEU A 5 -2.900 5.042 5.186 1.00 1.09 H new ATOM 85 N VAL A 6 -7.327 4.612 6.185 1.00 0.29 N ATOM 86 CA VAL A 6 -8.012 3.811 7.239 1.00 0.30 C ATOM 87 C VAL A 6 -7.989 2.333 6.843 1.00 0.26 C ATOM 88 O VAL A 6 -7.960 1.455 7.683 1.00 0.28 O ATOM 89 CB VAL A 6 -9.461 4.281 7.379 1.00 0.35 C ATOM 90 CG1 VAL A 6 -10.362 3.079 7.670 1.00 0.49 C ATOM 91 CG2 VAL A 6 -9.561 5.282 8.533 1.00 0.59 C ATOM 0 H VAL A 6 -7.878 5.375 5.793 1.00 0.29 H new ATOM 0 HA VAL A 6 -7.498 3.943 8.191 1.00 0.30 H new ATOM 0 HB VAL A 6 -9.780 4.758 6.452 1.00 0.35 H new ATOM 0 HG11 VAL A 6 -11.394 3.414 7.770 1.00 0.49 H new ATOM 0 HG12 VAL A 6 -10.290 2.364 6.851 1.00 0.49 H new ATOM 0 HG13 VAL A 6 -10.044 2.602 8.597 1.00 0.49 H new ATOM 0 HG21 VAL A 6 -10.593 5.618 8.635 1.00 0.59 H new ATOM 0 HG22 VAL A 6 -9.243 4.803 9.459 1.00 0.59 H new ATOM 0 HG23 VAL A 6 -8.919 6.139 8.328 1.00 0.59 H new ATOM 101 N LEU A 7 -7.997 2.052 5.568 1.00 0.23 N ATOM 102 CA LEU A 7 -7.971 0.640 5.114 1.00 0.22 C ATOM 103 C LEU A 7 -6.532 0.126 5.210 1.00 0.20 C ATOM 104 O LEU A 7 -6.288 -1.023 5.525 1.00 0.21 O ATOM 105 CB LEU A 7 -8.466 0.585 3.662 1.00 0.23 C ATOM 106 CG LEU A 7 -7.963 -0.683 2.976 1.00 0.26 C ATOM 107 CD1 LEU A 7 -8.430 -1.910 3.759 1.00 0.32 C ATOM 108 CD2 LEU A 7 -8.527 -0.748 1.555 1.00 0.33 C ATOM 0 H LEU A 7 -8.021 2.746 4.821 1.00 0.23 H new ATOM 0 HA LEU A 7 -8.615 0.017 5.734 1.00 0.22 H new ATOM 0 HB2 LEU A 7 -9.556 0.610 3.641 1.00 0.23 H new ATOM 0 HB3 LEU A 7 -8.117 1.463 3.119 1.00 0.23 H new ATOM 0 HG LEU A 7 -6.874 -0.667 2.940 1.00 0.26 H new ATOM 0 HD11 LEU A 7 -8.070 -2.814 3.268 1.00 0.32 H new ATOM 0 HD12 LEU A 7 -8.034 -1.866 4.774 1.00 0.32 H new ATOM 0 HD13 LEU A 7 -9.519 -1.926 3.795 1.00 0.32 H new ATOM 0 HD21 LEU A 7 -8.170 -1.652 1.063 1.00 0.33 H new ATOM 0 HD22 LEU A 7 -9.616 -0.764 1.596 1.00 0.33 H new ATOM 0 HD23 LEU A 7 -8.198 0.126 0.993 1.00 0.33 H new ATOM 120 N LEU A 8 -5.578 0.976 4.943 1.00 0.20 N ATOM 121 CA LEU A 8 -4.151 0.555 5.018 1.00 0.21 C ATOM 122 C LEU A 8 -3.778 0.229 6.469 1.00 0.21 C ATOM 123 O LEU A 8 -2.799 -0.441 6.727 1.00 0.22 O ATOM 124 CB LEU A 8 -3.259 1.689 4.508 1.00 0.23 C ATOM 125 CG LEU A 8 -3.344 1.762 2.983 1.00 0.23 C ATOM 126 CD1 LEU A 8 -2.839 3.126 2.508 1.00 0.30 C ATOM 127 CD2 LEU A 8 -2.478 0.658 2.371 1.00 0.29 C ATOM 0 H LEU A 8 -5.727 1.949 4.675 1.00 0.20 H new ATOM 0 HA LEU A 8 -4.007 -0.333 4.402 1.00 0.21 H new ATOM 0 HB2 LEU A 8 -3.573 2.637 4.946 1.00 0.23 H new ATOM 0 HB3 LEU A 8 -2.227 1.521 4.817 1.00 0.23 H new ATOM 0 HG LEU A 8 -4.380 1.629 2.670 1.00 0.23 H new ATOM 0 HD11 LEU A 8 -2.900 3.178 1.421 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -3.454 3.914 2.944 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -1.803 3.260 2.820 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -2.538 0.709 1.284 1.00 0.29 H new ATOM 0 HD22 LEU A 8 -1.443 0.792 2.684 1.00 0.29 H new ATOM 0 HD23 LEU A 8 -2.836 -0.315 2.709 1.00 0.29 H new ATOM 139 N HIS A 9 -4.542 0.696 7.423 1.00 0.23 N ATOM 140 CA HIS A 9 -4.215 0.403 8.847 1.00 0.26 C ATOM 141 C HIS A 9 -4.548 -1.058 9.164 1.00 0.25 C ATOM 142 O HIS A 9 -3.954 -1.663 10.034 1.00 0.28 O ATOM 143 CB HIS A 9 -5.034 1.321 9.756 1.00 0.29 C ATOM 144 CG HIS A 9 -4.344 1.453 11.085 1.00 0.82 C ATOM 145 ND1 HIS A 9 -3.709 2.622 11.475 1.00 1.82 N ATOM 146 CD2 HIS A 9 -4.179 0.572 12.125 1.00 1.41 C ATOM 147 CE1 HIS A 9 -3.197 2.416 12.702 1.00 2.18 C ATOM 148 NE2 HIS A 9 -3.454 1.182 13.145 1.00 1.87 N ATOM 0 H HIS A 9 -5.375 1.266 7.276 1.00 0.23 H new ATOM 0 HA HIS A 9 -3.152 0.575 9.016 1.00 0.26 H new ATOM 0 HB2 HIS A 9 -5.147 2.302 9.294 1.00 0.29 H new ATOM 0 HB3 HIS A 9 -6.036 0.915 9.893 1.00 0.29 H new ATOM 0 HD2 HIS A 9 -4.555 -0.440 12.148 1.00 1.41 H new ATOM 0 HE1 HIS A 9 -2.646 3.158 13.261 1.00 2.18 H new ATOM 0 HE2 HIS A 9 -3.178 0.774 14.038 1.00 1.87 H new ATOM 156 N SER A 10 -5.493 -1.631 8.468 1.00 0.24 N ATOM 157 CA SER A 10 -5.860 -3.051 8.736 1.00 0.26 C ATOM 158 C SER A 10 -4.962 -3.980 7.916 1.00 0.25 C ATOM 159 O SER A 10 -4.336 -4.877 8.443 1.00 0.29 O ATOM 160 CB SER A 10 -7.319 -3.281 8.345 1.00 0.28 C ATOM 161 OG SER A 10 -8.161 -2.878 9.417 1.00 1.18 O ATOM 0 H SER A 10 -6.026 -1.177 7.726 1.00 0.24 H new ATOM 0 HA SER A 10 -5.727 -3.264 9.797 1.00 0.26 H new ATOM 0 HB2 SER A 10 -7.560 -2.715 7.445 1.00 0.28 H new ATOM 0 HB3 SER A 10 -7.484 -4.333 8.113 1.00 0.28 H new ATOM 0 HG SER A 10 -9.098 -3.022 9.169 1.00 1.18 H new ATOM 167 N VAL A 11 -4.897 -3.776 6.629 1.00 0.23 N ATOM 168 CA VAL A 11 -4.041 -4.651 5.778 1.00 0.25 C ATOM 169 C VAL A 11 -2.581 -4.533 6.223 1.00 0.27 C ATOM 170 O VAL A 11 -1.810 -5.461 6.095 1.00 0.33 O ATOM 171 CB VAL A 11 -4.160 -4.213 4.316 1.00 0.26 C ATOM 172 CG1 VAL A 11 -5.636 -4.070 3.943 1.00 1.33 C ATOM 173 CG2 VAL A 11 -3.456 -2.867 4.131 1.00 1.17 C ATOM 0 H VAL A 11 -5.399 -3.042 6.130 1.00 0.23 H new ATOM 0 HA VAL A 11 -4.370 -5.685 5.880 1.00 0.25 H new ATOM 0 HB VAL A 11 -3.695 -4.961 3.674 1.00 0.26 H new ATOM 0 HG11 VAL A 11 -5.720 -3.758 2.902 1.00 1.33 H new ATOM 0 HG12 VAL A 11 -6.139 -5.028 4.077 1.00 1.33 H new ATOM 0 HG13 VAL A 11 -6.103 -3.322 4.584 1.00 1.33 H new ATOM 0 HG21 VAL A 11 -3.539 -2.553 3.091 1.00 1.17 H new ATOM 0 HG22 VAL A 11 -3.923 -2.121 4.774 1.00 1.17 H new ATOM 0 HG23 VAL A 11 -2.404 -2.967 4.397 1.00 1.17 H new ATOM 183 N SER A 12 -2.198 -3.396 6.738 1.00 0.26 N ATOM 184 CA SER A 12 -0.787 -3.205 7.189 1.00 0.32 C ATOM 185 C SER A 12 -0.406 -4.258 8.237 1.00 0.32 C ATOM 186 O SER A 12 0.729 -4.685 8.311 1.00 0.36 O ATOM 187 CB SER A 12 -0.640 -1.811 7.800 1.00 0.36 C ATOM 188 OG SER A 12 0.567 -1.752 8.549 1.00 1.17 O ATOM 0 H SER A 12 -2.804 -2.586 6.867 1.00 0.26 H new ATOM 0 HA SER A 12 -0.126 -3.312 6.329 1.00 0.32 H new ATOM 0 HB2 SER A 12 -0.631 -1.056 7.014 1.00 0.36 H new ATOM 0 HB3 SER A 12 -1.492 -1.592 8.443 1.00 0.36 H new ATOM 0 HG SER A 12 0.416 -1.245 9.374 1.00 1.17 H new ATOM 194 N SER A 13 -1.335 -4.674 9.053 1.00 0.32 N ATOM 195 CA SER A 13 -1.008 -5.693 10.096 1.00 0.36 C ATOM 196 C SER A 13 -0.800 -7.064 9.450 1.00 0.33 C ATOM 197 O SER A 13 -0.057 -7.886 9.948 1.00 0.43 O ATOM 198 CB SER A 13 -2.153 -5.774 11.107 1.00 0.41 C ATOM 199 OG SER A 13 -1.622 -5.692 12.424 1.00 1.26 O ATOM 0 H SER A 13 -2.304 -4.355 9.045 1.00 0.32 H new ATOM 0 HA SER A 13 -0.090 -5.398 10.603 1.00 0.36 H new ATOM 0 HB2 SER A 13 -2.862 -4.964 10.937 1.00 0.41 H new ATOM 0 HB3 SER A 13 -2.700 -6.708 10.980 1.00 0.41 H new ATOM 0 HG SER A 13 -2.353 -5.742 13.075 1.00 1.26 H new ATOM 205 N SER A 14 -1.443 -7.320 8.347 1.00 0.33 N ATOM 206 CA SER A 14 -1.270 -8.642 7.679 1.00 0.32 C ATOM 207 C SER A 14 0.048 -8.653 6.896 1.00 0.33 C ATOM 208 O SER A 14 0.594 -9.698 6.603 1.00 0.42 O ATOM 209 CB SER A 14 -2.435 -8.885 6.718 1.00 0.36 C ATOM 210 OG SER A 14 -2.785 -10.262 6.745 1.00 0.55 O ATOM 0 H SER A 14 -2.079 -6.675 7.879 1.00 0.33 H new ATOM 0 HA SER A 14 -1.250 -9.429 8.433 1.00 0.32 H new ATOM 0 HB2 SER A 14 -3.291 -8.274 7.004 1.00 0.36 H new ATOM 0 HB3 SER A 14 -2.156 -8.588 5.707 1.00 0.36 H new ATOM 0 HG SER A 14 -3.697 -10.375 6.403 1.00 0.55 H new ATOM 216 N LEU A 15 0.567 -7.502 6.557 1.00 0.36 N ATOM 217 CA LEU A 15 1.848 -7.455 5.798 1.00 0.42 C ATOM 218 C LEU A 15 2.962 -8.088 6.631 1.00 0.36 C ATOM 219 O LEU A 15 3.547 -9.083 6.251 1.00 0.46 O ATOM 220 CB LEU A 15 2.209 -5.998 5.504 1.00 0.64 C ATOM 221 CG LEU A 15 1.031 -5.297 4.826 1.00 0.63 C ATOM 222 CD1 LEU A 15 1.521 -4.011 4.160 1.00 0.76 C ATOM 223 CD2 LEU A 15 0.418 -6.217 3.766 1.00 0.60 C ATOM 0 H LEU A 15 0.158 -6.593 6.774 1.00 0.36 H new ATOM 0 HA LEU A 15 1.734 -8.004 4.863 1.00 0.42 H new ATOM 0 HB2 LEU A 15 2.465 -5.484 6.430 1.00 0.64 H new ATOM 0 HB3 LEU A 15 3.088 -5.955 4.861 1.00 0.64 H new ATOM 0 HG LEU A 15 0.276 -5.059 5.575 1.00 0.63 H new ATOM 0 HD11 LEU A 15 0.683 -3.510 3.676 1.00 0.76 H new ATOM 0 HD12 LEU A 15 1.952 -3.352 4.914 1.00 0.76 H new ATOM 0 HD13 LEU A 15 2.278 -4.253 3.414 1.00 0.76 H new ATOM 0 HD21 LEU A 15 -0.421 -5.712 3.287 1.00 0.60 H new ATOM 0 HD22 LEU A 15 1.171 -6.461 3.017 1.00 0.60 H new ATOM 0 HD23 LEU A 15 0.067 -7.134 4.239 1.00 0.60 H new ATOM 235 N SER A 16 3.262 -7.519 7.767 1.00 0.45 N ATOM 236 CA SER A 16 4.340 -8.091 8.621 1.00 0.69 C ATOM 237 C SER A 16 5.685 -7.996 7.891 1.00 0.57 C ATOM 238 O SER A 16 5.790 -7.421 6.822 1.00 0.53 O ATOM 239 CB SER A 16 4.027 -9.557 8.922 1.00 0.94 C ATOM 240 OG SER A 16 3.853 -9.723 10.323 1.00 1.58 O ATOM 0 H SER A 16 2.808 -6.685 8.139 1.00 0.45 H new ATOM 0 HA SER A 16 4.396 -7.530 9.554 1.00 0.69 H new ATOM 0 HB2 SER A 16 3.125 -9.864 8.393 1.00 0.94 H new ATOM 0 HB3 SER A 16 4.837 -10.194 8.567 1.00 0.94 H new ATOM 0 HG SER A 16 3.651 -10.662 10.519 1.00 1.58 H new ATOM 246 N SER A 17 6.714 -8.557 8.466 1.00 0.60 N ATOM 247 CA SER A 17 8.058 -8.507 7.822 1.00 0.57 C ATOM 248 C SER A 17 8.022 -9.207 6.457 1.00 0.54 C ATOM 249 O SER A 17 8.893 -9.011 5.634 1.00 0.60 O ATOM 250 CB SER A 17 9.077 -9.207 8.722 1.00 0.68 C ATOM 251 OG SER A 17 10.312 -8.505 8.669 1.00 1.68 O ATOM 0 H SER A 17 6.681 -9.050 9.358 1.00 0.60 H new ATOM 0 HA SER A 17 8.342 -7.465 7.678 1.00 0.57 H new ATOM 0 HB2 SER A 17 8.710 -9.242 9.748 1.00 0.68 H new ATOM 0 HB3 SER A 17 9.218 -10.238 8.398 1.00 0.68 H new ATOM 0 HG SER A 17 10.967 -8.951 9.246 1.00 1.68 H new ATOM 257 N SER A 18 7.032 -10.023 6.204 1.00 0.53 N ATOM 258 CA SER A 18 6.966 -10.723 4.890 1.00 0.59 C ATOM 259 C SER A 18 6.764 -9.699 3.769 1.00 0.54 C ATOM 260 O SER A 18 7.586 -9.560 2.885 1.00 0.49 O ATOM 261 CB SER A 18 5.796 -11.707 4.896 1.00 0.74 C ATOM 262 OG SER A 18 6.284 -13.017 5.152 1.00 1.27 O ATOM 0 H SER A 18 6.270 -10.233 6.849 1.00 0.53 H new ATOM 0 HA SER A 18 7.898 -11.263 4.722 1.00 0.59 H new ATOM 0 HB2 SER A 18 5.070 -11.422 5.658 1.00 0.74 H new ATOM 0 HB3 SER A 18 5.279 -11.680 3.937 1.00 0.74 H new ATOM 0 HG SER A 18 5.535 -13.650 5.158 1.00 1.27 H new ATOM 268 N GLU A 19 5.673 -8.982 3.798 1.00 0.60 N ATOM 269 CA GLU A 19 5.417 -7.970 2.734 1.00 0.64 C ATOM 270 C GLU A 19 6.543 -6.936 2.721 1.00 0.58 C ATOM 271 O GLU A 19 7.085 -6.618 1.684 1.00 0.67 O ATOM 272 CB GLU A 19 4.089 -7.263 3.009 1.00 0.88 C ATOM 273 CG GLU A 19 3.248 -7.234 1.732 1.00 1.76 C ATOM 274 CD GLU A 19 2.622 -5.848 1.563 1.00 2.55 C ATOM 275 OE1 GLU A 19 3.333 -4.873 1.744 1.00 3.05 O ATOM 276 OE2 GLU A 19 1.444 -5.786 1.255 1.00 3.27 O ATOM 0 H GLU A 19 4.948 -9.054 4.512 1.00 0.60 H new ATOM 0 HA GLU A 19 5.373 -8.472 1.767 1.00 0.64 H new ATOM 0 HB2 GLU A 19 3.548 -7.780 3.801 1.00 0.88 H new ATOM 0 HB3 GLU A 19 4.272 -6.247 3.359 1.00 0.88 H new ATOM 0 HG2 GLU A 19 3.870 -7.471 0.869 1.00 1.76 H new ATOM 0 HG3 GLU A 19 2.468 -7.993 1.781 1.00 1.76 H new ATOM 283 N LEU A 20 6.897 -6.403 3.859 1.00 0.56 N ATOM 284 CA LEU A 20 7.986 -5.387 3.893 1.00 0.62 C ATOM 285 C LEU A 20 9.240 -5.938 3.209 1.00 0.49 C ATOM 286 O LEU A 20 10.002 -5.206 2.615 1.00 0.57 O ATOM 287 CB LEU A 20 8.311 -5.040 5.345 1.00 0.77 C ATOM 288 CG LEU A 20 8.007 -3.565 5.588 1.00 0.67 C ATOM 289 CD1 LEU A 20 6.531 -3.402 5.949 1.00 1.17 C ATOM 290 CD2 LEU A 20 8.875 -3.043 6.735 1.00 0.78 C ATOM 0 H LEU A 20 6.481 -6.626 4.763 1.00 0.56 H new ATOM 0 HA LEU A 20 7.656 -4.492 3.365 1.00 0.62 H new ATOM 0 HB2 LEU A 20 7.723 -5.661 6.020 1.00 0.77 H new ATOM 0 HB3 LEU A 20 9.360 -5.247 5.555 1.00 0.77 H new ATOM 0 HG LEU A 20 8.225 -2.997 4.684 1.00 0.67 H new ATOM 0 HD11 LEU A 20 6.313 -2.348 6.123 1.00 1.17 H new ATOM 0 HD12 LEU A 20 5.913 -3.770 5.130 1.00 1.17 H new ATOM 0 HD13 LEU A 20 6.312 -3.971 6.852 1.00 1.17 H new ATOM 0 HD21 LEU A 20 8.656 -1.989 6.907 1.00 0.78 H new ATOM 0 HD22 LEU A 20 8.661 -3.610 7.641 1.00 0.78 H new ATOM 0 HD23 LEU A 20 9.928 -3.157 6.476 1.00 0.78 H new ATOM 302 N THR A 21 9.460 -7.219 3.290 1.00 0.40 N ATOM 303 CA THR A 21 10.668 -7.812 2.649 1.00 0.47 C ATOM 304 C THR A 21 10.554 -7.727 1.123 1.00 0.41 C ATOM 305 O THR A 21 11.400 -7.160 0.460 1.00 0.46 O ATOM 306 CB THR A 21 10.795 -9.278 3.067 1.00 0.57 C ATOM 307 OG1 THR A 21 11.112 -9.349 4.450 1.00 0.71 O ATOM 308 CG2 THR A 21 11.901 -9.950 2.252 1.00 0.75 C ATOM 0 H THR A 21 8.855 -7.883 3.773 1.00 0.40 H new ATOM 0 HA THR A 21 11.549 -7.257 2.970 1.00 0.47 H new ATOM 0 HB THR A 21 9.851 -9.791 2.884 1.00 0.57 H new ATOM 0 HG1 THR A 21 10.297 -9.529 4.964 1.00 0.71 H new ATOM 0 HG21 THR A 21 11.990 -10.994 2.551 1.00 0.75 H new ATOM 0 HG22 THR A 21 11.655 -9.896 1.191 1.00 0.75 H new ATOM 0 HG23 THR A 21 12.847 -9.439 2.432 1.00 0.75 H new ATOM 316 N GLU A 22 9.521 -8.290 0.561 1.00 0.37 N ATOM 317 CA GLU A 22 9.360 -8.248 -0.920 1.00 0.38 C ATOM 318 C GLU A 22 9.274 -6.796 -1.403 1.00 0.32 C ATOM 319 O GLU A 22 10.138 -6.316 -2.110 1.00 0.33 O ATOM 320 CB GLU A 22 8.077 -8.992 -1.296 1.00 0.45 C ATOM 321 CG GLU A 22 7.615 -8.573 -2.694 1.00 0.86 C ATOM 322 CD GLU A 22 8.773 -8.725 -3.683 1.00 0.64 C ATOM 323 OE1 GLU A 22 9.038 -9.846 -4.086 1.00 1.00 O ATOM 324 OE2 GLU A 22 9.373 -7.719 -4.021 1.00 1.43 O ATOM 0 H GLU A 22 8.780 -8.778 1.064 1.00 0.37 H new ATOM 0 HA GLU A 22 10.220 -8.721 -1.393 1.00 0.38 H new ATOM 0 HB2 GLU A 22 8.250 -10.068 -1.269 1.00 0.45 H new ATOM 0 HB3 GLU A 22 7.296 -8.777 -0.567 1.00 0.45 H new ATOM 0 HG2 GLU A 22 6.771 -9.187 -3.009 1.00 0.86 H new ATOM 0 HG3 GLU A 22 7.269 -7.540 -2.679 1.00 0.86 H new ATOM 331 N LEU A 23 8.232 -6.104 -1.033 1.00 0.40 N ATOM 332 CA LEU A 23 8.061 -4.686 -1.467 1.00 0.37 C ATOM 333 C LEU A 23 9.337 -3.875 -1.212 1.00 0.32 C ATOM 334 O LEU A 23 9.590 -2.892 -1.878 1.00 0.32 O ATOM 335 CB LEU A 23 6.894 -4.064 -0.700 1.00 0.40 C ATOM 336 CG LEU A 23 5.577 -4.581 -1.281 1.00 0.61 C ATOM 337 CD1 LEU A 23 5.129 -5.826 -0.515 1.00 1.29 C ATOM 338 CD2 LEU A 23 4.502 -3.499 -1.162 1.00 1.39 C ATOM 0 H LEU A 23 7.483 -6.464 -0.442 1.00 0.40 H new ATOM 0 HA LEU A 23 7.856 -4.670 -2.537 1.00 0.37 H new ATOM 0 HB2 LEU A 23 6.963 -4.317 0.358 1.00 0.40 H new ATOM 0 HB3 LEU A 23 6.935 -2.977 -0.771 1.00 0.40 H new ATOM 0 HG LEU A 23 5.724 -4.834 -2.331 1.00 0.61 H new ATOM 0 HD11 LEU A 23 4.190 -6.191 -0.932 1.00 1.29 H new ATOM 0 HD12 LEU A 23 5.891 -6.601 -0.602 1.00 1.29 H new ATOM 0 HD13 LEU A 23 4.986 -5.575 0.536 1.00 1.29 H new ATOM 0 HD21 LEU A 23 3.565 -3.870 -1.577 1.00 1.39 H new ATOM 0 HD22 LEU A 23 4.358 -3.243 -0.112 1.00 1.39 H new ATOM 0 HD23 LEU A 23 4.816 -2.612 -1.712 1.00 1.39 H new ATOM 350 N LYS A 24 10.144 -4.266 -0.263 1.00 0.30 N ATOM 351 CA LYS A 24 11.392 -3.491 0.000 1.00 0.30 C ATOM 352 C LYS A 24 12.374 -3.700 -1.158 1.00 0.30 C ATOM 353 O LYS A 24 12.863 -2.758 -1.748 1.00 0.32 O ATOM 354 CB LYS A 24 12.033 -3.968 1.306 1.00 0.38 C ATOM 355 CG LYS A 24 13.533 -3.663 1.281 1.00 0.94 C ATOM 356 CD LYS A 24 14.053 -3.539 2.714 1.00 0.96 C ATOM 357 CE LYS A 24 15.197 -4.531 2.930 1.00 1.54 C ATOM 358 NZ LYS A 24 16.247 -3.902 3.781 1.00 2.09 N ATOM 0 H LYS A 24 9.997 -5.079 0.336 1.00 0.30 H new ATOM 0 HA LYS A 24 11.148 -2.432 0.086 1.00 0.30 H new ATOM 0 HB2 LYS A 24 11.564 -3.472 2.156 1.00 0.38 H new ATOM 0 HB3 LYS A 24 11.871 -5.038 1.433 1.00 0.38 H new ATOM 0 HG2 LYS A 24 14.067 -4.455 0.756 1.00 0.94 H new ATOM 0 HG3 LYS A 24 13.718 -2.738 0.735 1.00 0.94 H new ATOM 0 HD2 LYS A 24 14.399 -2.522 2.900 1.00 0.96 H new ATOM 0 HD3 LYS A 24 13.248 -3.736 3.422 1.00 0.96 H new ATOM 0 HE2 LYS A 24 14.822 -5.437 3.407 1.00 1.54 H new ATOM 0 HE3 LYS A 24 15.621 -4.828 1.971 1.00 1.54 H new ATOM 0 HZ1 LYS A 24 17.025 -4.576 3.928 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 16.612 -3.050 3.309 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 15.838 -3.640 4.700 1.00 2.09 H new ATOM 372 N GLY A 25 12.665 -4.929 -1.488 1.00 0.38 N ATOM 373 CA GLY A 25 13.613 -5.195 -2.608 1.00 0.43 C ATOM 374 C GLY A 25 13.117 -4.502 -3.879 1.00 0.44 C ATOM 375 O GLY A 25 13.829 -3.738 -4.499 1.00 0.48 O ATOM 0 H GLY A 25 12.288 -5.759 -1.031 1.00 0.38 H new ATOM 0 HA2 GLY A 25 14.608 -4.832 -2.349 1.00 0.43 H new ATOM 0 HA3 GLY A 25 13.699 -6.268 -2.777 1.00 0.43 H new ATOM 379 N LEU A 26 11.900 -4.763 -4.272 1.00 0.43 N ATOM 380 CA LEU A 26 11.358 -4.120 -5.503 1.00 0.47 C ATOM 381 C LEU A 26 11.270 -2.601 -5.305 1.00 0.44 C ATOM 382 O LEU A 26 11.228 -1.847 -6.258 1.00 0.55 O ATOM 383 CB LEU A 26 9.960 -4.676 -5.793 1.00 0.49 C ATOM 384 CG LEU A 26 9.879 -5.162 -7.243 1.00 0.59 C ATOM 385 CD1 LEU A 26 9.398 -6.614 -7.267 1.00 1.44 C ATOM 386 CD2 LEU A 26 8.890 -4.288 -8.017 1.00 1.36 C ATOM 0 H LEU A 26 11.257 -5.394 -3.794 1.00 0.43 H new ATOM 0 HA LEU A 26 12.021 -4.334 -6.341 1.00 0.47 H new ATOM 0 HB2 LEU A 26 9.738 -5.498 -5.113 1.00 0.49 H new ATOM 0 HB3 LEU A 26 9.210 -3.905 -5.617 1.00 0.49 H new ATOM 0 HG LEU A 26 10.864 -5.096 -7.705 1.00 0.59 H new ATOM 0 HD11 LEU A 26 9.340 -6.961 -8.299 1.00 1.44 H new ATOM 0 HD12 LEU A 26 10.099 -7.239 -6.713 1.00 1.44 H new ATOM 0 HD13 LEU A 26 8.412 -6.678 -6.807 1.00 1.44 H new ATOM 0 HD21 LEU A 26 8.831 -4.632 -9.050 1.00 1.36 H new ATOM 0 HD22 LEU A 26 7.905 -4.356 -7.555 1.00 1.36 H new ATOM 0 HD23 LEU A 26 9.228 -3.252 -7.999 1.00 1.36 H new ATOM 398 N CYS A 27 11.242 -2.142 -4.081 1.00 0.36 N ATOM 399 CA CYS A 27 11.157 -0.673 -3.840 1.00 0.36 C ATOM 400 C CYS A 27 12.493 -0.022 -4.197 1.00 0.39 C ATOM 401 O CYS A 27 12.549 1.122 -4.603 1.00 0.43 O ATOM 402 CB CYS A 27 10.838 -0.413 -2.365 1.00 0.40 C ATOM 403 SG CYS A 27 9.044 -0.354 -2.138 1.00 1.20 S ATOM 0 H CYS A 27 11.274 -2.720 -3.241 1.00 0.36 H new ATOM 0 HA CYS A 27 10.368 -0.248 -4.460 1.00 0.36 H new ATOM 0 HB2 CYS A 27 11.268 -1.199 -1.745 1.00 0.40 H new ATOM 0 HB3 CYS A 27 11.287 0.527 -2.045 1.00 0.40 H new ATOM 0 HG CYS A 27 8.586 -1.561 -1.988 1.00 1.20 H new ATOM 409 N LEU A 28 13.571 -0.742 -4.049 1.00 0.42 N ATOM 410 CA LEU A 28 14.907 -0.168 -4.381 1.00 0.52 C ATOM 411 C LEU A 28 14.889 0.370 -5.813 1.00 0.58 C ATOM 412 O LEU A 28 15.364 1.454 -6.085 1.00 1.29 O ATOM 413 CB LEU A 28 15.972 -1.263 -4.267 1.00 0.72 C ATOM 414 CG LEU A 28 16.586 -1.273 -2.862 1.00 0.55 C ATOM 415 CD1 LEU A 28 15.528 -0.912 -1.817 1.00 1.22 C ATOM 416 CD2 LEU A 28 17.127 -2.672 -2.563 1.00 1.05 C ATOM 0 H LEU A 28 13.585 -1.705 -3.712 1.00 0.42 H new ATOM 0 HA LEU A 28 15.137 0.642 -3.689 1.00 0.52 H new ATOM 0 HB2 LEU A 28 15.527 -2.235 -4.482 1.00 0.72 H new ATOM 0 HB3 LEU A 28 16.752 -1.098 -5.010 1.00 0.72 H new ATOM 0 HG LEU A 28 17.391 -0.540 -2.821 1.00 0.55 H new ATOM 0 HD11 LEU A 28 15.978 -0.923 -0.824 1.00 1.22 H new ATOM 0 HD12 LEU A 28 15.135 0.083 -2.026 1.00 1.22 H new ATOM 0 HD13 LEU A 28 14.716 -1.638 -1.855 1.00 1.22 H new ATOM 0 HD21 LEU A 28 17.565 -2.687 -1.565 1.00 1.05 H new ATOM 0 HD22 LEU A 28 16.313 -3.395 -2.613 1.00 1.05 H new ATOM 0 HD23 LEU A 28 17.889 -2.932 -3.298 1.00 1.05 H new ATOM 428 N GLY A 29 14.346 -0.379 -6.733 1.00 1.03 N ATOM 429 CA GLY A 29 14.301 0.093 -8.145 1.00 1.11 C ATOM 430 C GLY A 29 12.880 0.537 -8.492 1.00 1.09 C ATOM 431 O GLY A 29 12.354 0.203 -9.535 1.00 1.60 O ATOM 0 H GLY A 29 13.932 -1.296 -6.568 1.00 1.03 H new ATOM 0 HA2 GLY A 29 14.996 0.921 -8.285 1.00 1.11 H new ATOM 0 HA3 GLY A 29 14.618 -0.705 -8.816 1.00 1.11 H new ATOM 435 N ARG A 30 12.254 1.288 -7.628 1.00 0.67 N ATOM 436 CA ARG A 30 10.866 1.750 -7.916 1.00 0.70 C ATOM 437 C ARG A 30 10.545 2.981 -7.066 1.00 0.60 C ATOM 438 O ARG A 30 10.368 4.070 -7.576 1.00 0.70 O ATOM 439 CB ARG A 30 9.877 0.630 -7.587 1.00 0.75 C ATOM 440 CG ARG A 30 8.662 0.734 -8.511 1.00 1.19 C ATOM 441 CD ARG A 30 7.895 -0.590 -8.499 1.00 1.28 C ATOM 442 NE ARG A 30 6.863 -0.576 -9.573 1.00 1.57 N ATOM 443 CZ ARG A 30 7.226 -0.498 -10.825 1.00 1.81 C ATOM 444 NH1 ARG A 30 7.551 -1.580 -11.478 1.00 2.39 N ATOM 445 NH2 ARG A 30 7.264 0.662 -11.422 1.00 2.35 N ATOM 0 H ARG A 30 12.642 1.601 -6.738 1.00 0.67 H new ATOM 0 HA ARG A 30 10.784 2.010 -8.971 1.00 0.70 H new ATOM 0 HB2 ARG A 30 10.357 -0.341 -7.708 1.00 0.75 H new ATOM 0 HB3 ARG A 30 9.563 0.702 -6.546 1.00 0.75 H new ATOM 0 HG2 ARG A 30 8.012 1.546 -8.184 1.00 1.19 H new ATOM 0 HG3 ARG A 30 8.983 0.971 -9.525 1.00 1.19 H new ATOM 0 HD2 ARG A 30 8.582 -1.422 -8.651 1.00 1.28 H new ATOM 0 HD3 ARG A 30 7.423 -0.740 -7.528 1.00 1.28 H new ATOM 0 HE ARG A 30 5.874 -0.627 -9.331 1.00 1.57 H new ATOM 0 HH11 ARG A 30 7.521 -2.486 -11.011 1.00 2.39 H new ATOM 0 HH12 ARG A 30 7.835 -1.520 -12.456 1.00 2.39 H new ATOM 0 HH21 ARG A 30 7.010 1.507 -10.911 1.00 2.35 H new ATOM 0 HH22 ARG A 30 7.548 0.723 -12.400 1.00 2.35 H new ATOM 459 N VAL A 31 10.466 2.820 -5.773 1.00 0.50 N ATOM 460 CA VAL A 31 10.153 3.983 -4.896 1.00 0.51 C ATOM 461 C VAL A 31 11.418 4.815 -4.674 1.00 0.62 C ATOM 462 O VAL A 31 11.560 5.899 -5.204 1.00 0.85 O ATOM 463 CB VAL A 31 9.630 3.479 -3.549 1.00 0.49 C ATOM 464 CG1 VAL A 31 9.398 4.667 -2.614 1.00 0.68 C ATOM 465 CG2 VAL A 31 8.310 2.735 -3.763 1.00 0.56 C ATOM 0 H VAL A 31 10.605 1.934 -5.287 1.00 0.50 H new ATOM 0 HA VAL A 31 9.393 4.602 -5.373 1.00 0.51 H new ATOM 0 HB VAL A 31 10.362 2.805 -3.104 1.00 0.49 H new ATOM 0 HG11 VAL A 31 9.025 4.308 -1.655 1.00 0.68 H new ATOM 0 HG12 VAL A 31 10.337 5.199 -2.462 1.00 0.68 H new ATOM 0 HG13 VAL A 31 8.666 5.342 -3.058 1.00 0.68 H new ATOM 0 HG21 VAL A 31 7.936 2.375 -2.805 1.00 0.56 H new ATOM 0 HG22 VAL A 31 7.579 3.411 -4.207 1.00 0.56 H new ATOM 0 HG23 VAL A 31 8.473 1.888 -4.430 1.00 0.56 H new ATOM 475 N GLY A 32 12.340 4.318 -3.894 1.00 0.57 N ATOM 476 CA GLY A 32 13.592 5.084 -3.640 1.00 0.71 C ATOM 477 C GLY A 32 14.311 4.497 -2.424 1.00 0.73 C ATOM 478 O GLY A 32 13.708 4.226 -1.405 1.00 1.37 O ATOM 0 H GLY A 32 12.280 3.415 -3.423 1.00 0.57 H new ATOM 0 HA2 GLY A 32 14.241 5.042 -4.515 1.00 0.71 H new ATOM 0 HA3 GLY A 32 13.359 6.135 -3.466 1.00 0.71 H new ATOM 482 N LYS A 33 15.597 4.298 -2.523 1.00 0.55 N ATOM 483 CA LYS A 33 16.354 3.728 -1.373 1.00 0.56 C ATOM 484 C LYS A 33 16.344 4.723 -0.211 1.00 0.51 C ATOM 485 O LYS A 33 16.167 4.354 0.933 1.00 0.53 O ATOM 486 CB LYS A 33 17.798 3.457 -1.799 1.00 0.76 C ATOM 487 CG LYS A 33 17.937 1.997 -2.234 1.00 1.12 C ATOM 488 CD LYS A 33 19.398 1.707 -2.585 1.00 1.24 C ATOM 489 CE LYS A 33 19.457 0.666 -3.704 1.00 1.78 C ATOM 490 NZ LYS A 33 20.782 0.742 -4.383 1.00 2.59 N ATOM 0 H LYS A 33 16.156 4.506 -3.351 1.00 0.55 H new ATOM 0 HA LYS A 33 15.886 2.796 -1.056 1.00 0.56 H new ATOM 0 HB2 LYS A 33 18.077 4.120 -2.618 1.00 0.76 H new ATOM 0 HB3 LYS A 33 18.478 3.668 -0.973 1.00 0.76 H new ATOM 0 HG2 LYS A 33 17.606 1.335 -1.434 1.00 1.12 H new ATOM 0 HG3 LYS A 33 17.299 1.801 -3.096 1.00 1.12 H new ATOM 0 HD2 LYS A 33 19.896 2.624 -2.900 1.00 1.24 H new ATOM 0 HD3 LYS A 33 19.929 1.342 -1.706 1.00 1.24 H new ATOM 0 HE2 LYS A 33 19.303 -0.332 -3.295 1.00 1.78 H new ATOM 0 HE3 LYS A 33 18.657 0.843 -4.423 1.00 1.78 H new ATOM 0 HZ1 LYS A 33 20.823 0.034 -5.144 1.00 2.59 H new ATOM 0 HZ2 LYS A 33 20.912 1.692 -4.786 1.00 2.59 H new ATOM 0 HZ3 LYS A 33 21.537 0.553 -3.693 1.00 2.59 H new ATOM 504 N ARG A 34 16.536 5.982 -0.493 1.00 0.56 N ATOM 505 CA ARG A 34 16.539 6.999 0.596 1.00 0.63 C ATOM 506 C ARG A 34 15.194 6.973 1.326 1.00 0.55 C ATOM 507 O ARG A 34 15.130 7.100 2.533 1.00 0.59 O ATOM 508 CB ARG A 34 16.767 8.388 -0.003 1.00 0.79 C ATOM 509 CG ARG A 34 18.125 8.927 0.450 1.00 1.15 C ATOM 510 CD ARG A 34 18.027 10.437 0.675 1.00 1.52 C ATOM 511 NE ARG A 34 18.540 11.152 -0.528 1.00 2.06 N ATOM 512 CZ ARG A 34 19.632 11.862 -0.448 1.00 2.55 C ATOM 513 NH1 ARG A 34 19.735 12.802 0.450 1.00 3.22 N ATOM 514 NH2 ARG A 34 20.622 11.630 -1.267 1.00 3.02 N ATOM 0 H ARG A 34 16.691 6.351 -1.431 1.00 0.56 H new ATOM 0 HA ARG A 34 17.338 6.771 1.301 1.00 0.63 H new ATOM 0 HB2 ARG A 34 16.730 8.336 -1.091 1.00 0.79 H new ATOM 0 HB3 ARG A 34 15.973 9.065 0.311 1.00 0.79 H new ATOM 0 HG2 ARG A 34 18.436 8.431 1.370 1.00 1.15 H new ATOM 0 HG3 ARG A 34 18.883 8.709 -0.302 1.00 1.15 H new ATOM 0 HD2 ARG A 34 16.992 10.721 0.866 1.00 1.52 H new ATOM 0 HD3 ARG A 34 18.604 10.723 1.555 1.00 1.52 H new ATOM 0 HE ARG A 34 18.038 11.086 -1.413 1.00 2.06 H new ATOM 0 HH11 ARG A 34 18.962 12.983 1.090 1.00 3.22 H new ATOM 0 HH12 ARG A 34 20.589 13.357 0.512 1.00 3.22 H new ATOM 0 HH21 ARG A 34 20.542 10.894 -1.969 1.00 3.02 H new ATOM 0 HH22 ARG A 34 21.476 12.185 -1.205 1.00 3.02 H new ATOM 528 N LYS A 35 14.119 6.810 0.605 1.00 0.50 N ATOM 529 CA LYS A 35 12.781 6.778 1.261 1.00 0.48 C ATOM 530 C LYS A 35 12.666 5.521 2.126 1.00 0.40 C ATOM 531 O LYS A 35 12.035 5.526 3.165 1.00 0.44 O ATOM 532 CB LYS A 35 11.689 6.762 0.190 1.00 0.50 C ATOM 533 CG LYS A 35 11.727 8.074 -0.597 1.00 0.79 C ATOM 534 CD LYS A 35 10.298 8.517 -0.920 1.00 1.05 C ATOM 535 CE LYS A 35 10.020 9.867 -0.257 1.00 1.50 C ATOM 536 NZ LYS A 35 10.234 10.960 -1.248 1.00 2.01 N ATOM 0 H LYS A 35 14.109 6.698 -0.409 1.00 0.50 H new ATOM 0 HA LYS A 35 12.663 7.662 1.888 1.00 0.48 H new ATOM 0 HB2 LYS A 35 11.837 5.917 -0.483 1.00 0.50 H new ATOM 0 HB3 LYS A 35 10.711 6.632 0.654 1.00 0.50 H new ATOM 0 HG2 LYS A 35 12.235 8.844 -0.017 1.00 0.79 H new ATOM 0 HG3 LYS A 35 12.295 7.942 -1.518 1.00 0.79 H new ATOM 0 HD2 LYS A 35 10.166 8.596 -1.999 1.00 1.05 H new ATOM 0 HD3 LYS A 35 9.586 7.772 -0.565 1.00 1.05 H new ATOM 0 HE2 LYS A 35 8.997 9.896 0.118 1.00 1.50 H new ATOM 0 HE3 LYS A 35 10.678 10.005 0.601 1.00 1.50 H new ATOM 0 HZ1 LYS A 35 10.045 11.878 -0.798 1.00 2.01 H new ATOM 0 HZ2 LYS A 35 11.218 10.935 -1.585 1.00 2.01 H new ATOM 0 HZ3 LYS A 35 9.589 10.830 -2.053 1.00 2.01 H new ATOM 550 N LEU A 36 13.269 4.443 1.706 1.00 0.36 N ATOM 551 CA LEU A 36 13.192 3.188 2.505 1.00 0.37 C ATOM 552 C LEU A 36 13.961 3.368 3.815 1.00 0.42 C ATOM 553 O LEU A 36 13.639 2.768 4.821 1.00 0.50 O ATOM 554 CB LEU A 36 13.805 2.036 1.706 1.00 0.43 C ATOM 555 CG LEU A 36 12.754 1.463 0.753 1.00 0.42 C ATOM 556 CD1 LEU A 36 13.418 1.066 -0.566 1.00 0.70 C ATOM 557 CD2 LEU A 36 12.108 0.229 1.389 1.00 0.64 C ATOM 0 H LEU A 36 13.811 4.377 0.845 1.00 0.36 H new ATOM 0 HA LEU A 36 12.149 2.962 2.726 1.00 0.37 H new ATOM 0 HB2 LEU A 36 14.669 2.389 1.143 1.00 0.43 H new ATOM 0 HB3 LEU A 36 14.161 1.259 2.382 1.00 0.43 H new ATOM 0 HG LEU A 36 11.991 2.217 0.561 1.00 0.42 H new ATOM 0 HD11 LEU A 36 12.667 0.658 -1.243 1.00 0.70 H new ATOM 0 HD12 LEU A 36 13.878 1.944 -1.020 1.00 0.70 H new ATOM 0 HD13 LEU A 36 14.183 0.313 -0.376 1.00 0.70 H new ATOM 0 HD21 LEU A 36 11.359 -0.180 0.711 1.00 0.64 H new ATOM 0 HD22 LEU A 36 12.873 -0.524 1.582 1.00 0.64 H new ATOM 0 HD23 LEU A 36 11.632 0.511 2.328 1.00 0.64 H new ATOM 569 N GLU A 37 14.976 4.188 3.813 1.00 0.44 N ATOM 570 CA GLU A 37 15.760 4.403 5.061 1.00 0.52 C ATOM 571 C GLU A 37 14.818 4.836 6.187 1.00 0.47 C ATOM 572 O GLU A 37 15.061 4.573 7.348 1.00 0.54 O ATOM 573 CB GLU A 37 16.809 5.492 4.824 1.00 0.63 C ATOM 574 CG GLU A 37 18.040 4.880 4.153 1.00 1.33 C ATOM 575 CD GLU A 37 19.307 5.490 4.756 1.00 1.79 C ATOM 576 OE1 GLU A 37 19.572 5.228 5.917 1.00 2.41 O ATOM 577 OE2 GLU A 37 19.990 6.209 4.045 1.00 2.19 O ATOM 0 H GLU A 37 15.296 4.718 3.002 1.00 0.44 H new ATOM 0 HA GLU A 37 16.258 3.475 5.342 1.00 0.52 H new ATOM 0 HB2 GLU A 37 16.394 6.280 4.196 1.00 0.63 H new ATOM 0 HB3 GLU A 37 17.090 5.953 5.771 1.00 0.63 H new ATOM 0 HG2 GLU A 37 18.043 3.799 4.291 1.00 1.33 H new ATOM 0 HG3 GLU A 37 18.011 5.064 3.079 1.00 1.33 H new ATOM 584 N ARG A 38 13.744 5.499 5.854 1.00 0.46 N ATOM 585 CA ARG A 38 12.788 5.948 6.905 1.00 0.42 C ATOM 586 C ARG A 38 11.661 4.921 7.047 1.00 0.34 C ATOM 587 O ARG A 38 11.083 4.764 8.104 1.00 0.34 O ATOM 588 CB ARG A 38 12.197 7.303 6.512 1.00 0.43 C ATOM 589 CG ARG A 38 13.293 8.369 6.552 1.00 0.67 C ATOM 590 CD ARG A 38 12.807 9.572 7.361 1.00 1.13 C ATOM 591 NE ARG A 38 13.833 10.651 7.311 1.00 1.51 N ATOM 592 CZ ARG A 38 13.497 11.883 7.580 1.00 1.88 C ATOM 593 NH1 ARG A 38 13.539 12.318 8.809 1.00 2.49 N ATOM 594 NH2 ARG A 38 13.121 12.681 6.618 1.00 2.41 N ATOM 0 H ARG A 38 13.488 5.749 4.899 1.00 0.46 H new ATOM 0 HA ARG A 38 13.313 6.042 7.855 1.00 0.42 H new ATOM 0 HB2 ARG A 38 11.766 7.247 5.513 1.00 0.43 H new ATOM 0 HB3 ARG A 38 11.389 7.571 7.193 1.00 0.43 H new ATOM 0 HG2 ARG A 38 14.198 7.958 7.000 1.00 0.67 H new ATOM 0 HG3 ARG A 38 13.551 8.679 5.539 1.00 0.67 H new ATOM 0 HD2 ARG A 38 11.861 9.936 6.959 1.00 1.13 H new ATOM 0 HD3 ARG A 38 12.623 9.278 8.394 1.00 1.13 H new ATOM 0 HE ARG A 38 14.798 10.427 7.067 1.00 1.51 H new ATOM 0 HH11 ARG A 38 13.835 11.695 9.561 1.00 2.49 H new ATOM 0 HH12 ARG A 38 13.276 13.281 9.018 1.00 2.49 H new ATOM 0 HH21 ARG A 38 13.090 12.342 5.657 1.00 2.41 H new ATOM 0 HH22 ARG A 38 12.858 13.644 6.828 1.00 2.41 H new ATOM 608 N VAL A 39 11.344 4.220 5.990 1.00 0.32 N ATOM 609 CA VAL A 39 10.255 3.204 6.067 1.00 0.28 C ATOM 610 C VAL A 39 10.545 2.231 7.212 1.00 0.34 C ATOM 611 O VAL A 39 11.674 1.852 7.450 1.00 0.46 O ATOM 612 CB VAL A 39 10.182 2.436 4.746 1.00 0.35 C ATOM 613 CG1 VAL A 39 10.995 1.144 4.853 1.00 0.51 C ATOM 614 CG2 VAL A 39 8.723 2.093 4.439 1.00 0.61 C ATOM 0 H VAL A 39 11.792 4.308 5.078 1.00 0.32 H new ATOM 0 HA VAL A 39 9.303 3.702 6.249 1.00 0.28 H new ATOM 0 HB VAL A 39 10.591 3.054 3.947 1.00 0.35 H new ATOM 0 HG11 VAL A 39 10.940 0.600 3.910 1.00 0.51 H new ATOM 0 HG12 VAL A 39 12.035 1.386 5.073 1.00 0.51 H new ATOM 0 HG13 VAL A 39 10.590 0.524 5.653 1.00 0.51 H new ATOM 0 HG21 VAL A 39 8.668 1.546 3.498 1.00 0.61 H new ATOM 0 HG22 VAL A 39 8.318 1.477 5.241 1.00 0.61 H new ATOM 0 HG23 VAL A 39 8.142 3.012 4.359 1.00 0.61 H new ATOM 624 N GLN A 40 9.531 1.823 7.924 1.00 0.38 N ATOM 625 CA GLN A 40 9.743 0.875 9.054 1.00 0.49 C ATOM 626 C GLN A 40 8.597 -0.137 9.082 1.00 0.51 C ATOM 627 O GLN A 40 8.808 -1.328 9.190 1.00 0.96 O ATOM 628 CB GLN A 40 9.775 1.650 10.373 1.00 0.62 C ATOM 629 CG GLN A 40 10.866 2.721 10.310 1.00 1.18 C ATOM 630 CD GLN A 40 11.464 2.926 11.703 1.00 1.48 C ATOM 631 OE1 GLN A 40 11.908 1.986 12.331 1.00 1.74 O ATOM 632 NE2 GLN A 40 11.493 4.126 12.217 1.00 2.16 N ATOM 0 H GLN A 40 8.563 2.106 7.772 1.00 0.38 H new ATOM 0 HA GLN A 40 10.690 0.352 8.921 1.00 0.49 H new ATOM 0 HB2 GLN A 40 8.806 2.113 10.558 1.00 0.62 H new ATOM 0 HB3 GLN A 40 9.966 0.969 11.202 1.00 0.62 H new ATOM 0 HG2 GLN A 40 11.645 2.420 9.609 1.00 1.18 H new ATOM 0 HG3 GLN A 40 10.449 3.658 9.940 1.00 1.18 H new ATOM 0 HE21 GLN A 40 11.120 4.916 11.690 1.00 2.16 H new ATOM 0 HE22 GLN A 40 11.888 4.274 13.146 1.00 2.16 H new ATOM 641 N SER A 41 7.384 0.332 8.982 1.00 0.44 N ATOM 642 CA SER A 41 6.220 -0.597 8.999 1.00 0.38 C ATOM 643 C SER A 41 5.481 -0.500 7.663 1.00 0.34 C ATOM 644 O SER A 41 6.021 -0.036 6.678 1.00 0.35 O ATOM 645 CB SER A 41 5.274 -0.209 10.137 1.00 0.44 C ATOM 646 OG SER A 41 5.869 0.825 10.910 1.00 1.40 O ATOM 0 H SER A 41 7.149 1.320 8.889 1.00 0.44 H new ATOM 0 HA SER A 41 6.567 -1.619 9.152 1.00 0.38 H new ATOM 0 HB2 SER A 41 4.319 0.127 9.733 1.00 0.44 H new ATOM 0 HB3 SER A 41 5.067 -1.076 10.765 1.00 0.44 H new ATOM 0 HG SER A 41 5.742 1.685 10.459 1.00 1.40 H new ATOM 652 N GLY A 42 4.252 -0.934 7.617 1.00 0.34 N ATOM 653 CA GLY A 42 3.487 -0.862 6.341 1.00 0.34 C ATOM 654 C GLY A 42 2.931 0.551 6.159 1.00 0.29 C ATOM 655 O GLY A 42 2.980 1.115 5.084 1.00 0.29 O ATOM 0 H GLY A 42 3.745 -1.335 8.406 1.00 0.34 H new ATOM 0 HA2 GLY A 42 4.133 -1.121 5.502 1.00 0.34 H new ATOM 0 HA3 GLY A 42 2.673 -1.586 6.351 1.00 0.34 H new ATOM 659 N LEU A 43 2.402 1.128 7.203 1.00 0.26 N ATOM 660 CA LEU A 43 1.841 2.504 7.094 1.00 0.24 C ATOM 661 C LEU A 43 2.952 3.507 6.759 1.00 0.21 C ATOM 662 O LEU A 43 2.685 4.607 6.319 1.00 0.21 O ATOM 663 CB LEU A 43 1.187 2.892 8.422 1.00 0.25 C ATOM 664 CG LEU A 43 -0.333 2.768 8.299 1.00 0.29 C ATOM 665 CD1 LEU A 43 -0.846 3.769 7.262 1.00 0.35 C ATOM 666 CD2 LEU A 43 -0.693 1.347 7.856 1.00 0.38 C ATOM 0 H LEU A 43 2.334 0.705 8.129 1.00 0.26 H new ATOM 0 HA LEU A 43 1.098 2.522 6.297 1.00 0.24 H new ATOM 0 HB2 LEU A 43 1.551 2.247 9.221 1.00 0.25 H new ATOM 0 HB3 LEU A 43 1.459 3.913 8.688 1.00 0.25 H new ATOM 0 HG LEU A 43 -0.794 2.978 9.264 1.00 0.29 H new ATOM 0 HD11 LEU A 43 -1.929 3.680 7.175 1.00 0.35 H new ATOM 0 HD12 LEU A 43 -0.589 4.781 7.575 1.00 0.35 H new ATOM 0 HD13 LEU A 43 -0.386 3.560 6.296 1.00 0.35 H new ATOM 0 HD21 LEU A 43 -1.776 1.257 7.768 1.00 0.38 H new ATOM 0 HD22 LEU A 43 -0.232 1.139 6.891 1.00 0.38 H new ATOM 0 HD23 LEU A 43 -0.328 0.632 8.594 1.00 0.38 H new ATOM 678 N ASP A 44 4.194 3.147 6.958 1.00 0.20 N ATOM 679 CA ASP A 44 5.298 4.098 6.640 1.00 0.19 C ATOM 680 C ASP A 44 5.417 4.243 5.121 1.00 0.19 C ATOM 681 O ASP A 44 5.287 5.321 4.578 1.00 0.20 O ATOM 682 CB ASP A 44 6.615 3.563 7.208 1.00 0.21 C ATOM 683 CG ASP A 44 6.613 3.710 8.730 1.00 0.26 C ATOM 684 OD1 ASP A 44 5.837 3.020 9.371 1.00 1.01 O ATOM 685 OD2 ASP A 44 7.387 4.509 9.230 1.00 1.14 O ATOM 0 H ASP A 44 4.489 2.242 7.324 1.00 0.20 H new ATOM 0 HA ASP A 44 5.083 5.070 7.084 1.00 0.19 H new ATOM 0 HB2 ASP A 44 6.743 2.516 6.934 1.00 0.21 H new ATOM 0 HB3 ASP A 44 7.456 4.109 6.781 1.00 0.21 H new ATOM 690 N LEU A 45 5.663 3.162 4.433 1.00 0.21 N ATOM 691 CA LEU A 45 5.789 3.232 2.949 1.00 0.22 C ATOM 692 C LEU A 45 4.491 3.777 2.344 1.00 0.22 C ATOM 693 O LEU A 45 4.507 4.499 1.368 1.00 0.24 O ATOM 694 CB LEU A 45 6.057 1.831 2.393 1.00 0.25 C ATOM 695 CG LEU A 45 6.442 1.930 0.917 1.00 0.29 C ATOM 696 CD1 LEU A 45 7.877 2.449 0.796 1.00 0.32 C ATOM 697 CD2 LEU A 45 6.346 0.546 0.272 1.00 0.33 C ATOM 0 H LEU A 45 5.782 2.232 4.835 1.00 0.21 H new ATOM 0 HA LEU A 45 6.615 3.894 2.690 1.00 0.22 H new ATOM 0 HB2 LEU A 45 6.858 1.352 2.957 1.00 0.25 H new ATOM 0 HB3 LEU A 45 5.170 1.208 2.507 1.00 0.25 H new ATOM 0 HG LEU A 45 5.764 2.617 0.411 1.00 0.29 H new ATOM 0 HD11 LEU A 45 8.151 2.519 -0.257 1.00 0.32 H new ATOM 0 HD12 LEU A 45 7.947 3.435 1.256 1.00 0.32 H new ATOM 0 HD13 LEU A 45 8.556 1.763 1.302 1.00 0.32 H new ATOM 0 HD21 LEU A 45 6.620 0.615 -0.781 1.00 0.33 H new ATOM 0 HD22 LEU A 45 7.025 -0.140 0.779 1.00 0.33 H new ATOM 0 HD23 LEU A 45 5.325 0.175 0.357 1.00 0.33 H new ATOM 709 N PHE A 46 3.366 3.436 2.914 1.00 0.24 N ATOM 710 CA PHE A 46 2.071 3.936 2.366 1.00 0.25 C ATOM 711 C PHE A 46 1.943 5.440 2.628 1.00 0.26 C ATOM 712 O PHE A 46 1.291 6.153 1.892 1.00 0.30 O ATOM 713 CB PHE A 46 0.907 3.206 3.046 1.00 0.27 C ATOM 714 CG PHE A 46 1.071 1.707 2.900 1.00 0.31 C ATOM 715 CD1 PHE A 46 1.752 1.173 1.796 1.00 1.26 C ATOM 716 CD2 PHE A 46 0.535 0.851 3.870 1.00 1.26 C ATOM 717 CE1 PHE A 46 1.894 -0.213 1.665 1.00 1.29 C ATOM 718 CE2 PHE A 46 0.679 -0.535 3.738 1.00 1.27 C ATOM 719 CZ PHE A 46 1.358 -1.066 2.635 1.00 0.46 C ATOM 0 H PHE A 46 3.287 2.834 3.734 1.00 0.24 H new ATOM 0 HA PHE A 46 2.044 3.750 1.292 1.00 0.25 H new ATOM 0 HB2 PHE A 46 0.868 3.473 4.102 1.00 0.27 H new ATOM 0 HB3 PHE A 46 -0.038 3.521 2.602 1.00 0.27 H new ATOM 0 HD1 PHE A 46 2.167 1.832 1.047 1.00 1.26 H new ATOM 0 HD2 PHE A 46 0.010 1.260 4.720 1.00 1.26 H new ATOM 0 HE1 PHE A 46 2.418 -0.624 0.815 1.00 1.29 H new ATOM 0 HE2 PHE A 46 0.266 -1.195 4.487 1.00 1.27 H new ATOM 0 HZ PHE A 46 1.468 -2.136 2.533 1.00 0.46 H new ATOM 729 N SER A 47 2.558 5.928 3.669 1.00 0.26 N ATOM 730 CA SER A 47 2.467 7.384 3.976 1.00 0.29 C ATOM 731 C SER A 47 3.358 8.173 3.013 1.00 0.28 C ATOM 732 O SER A 47 3.055 9.292 2.648 1.00 0.35 O ATOM 733 CB SER A 47 2.927 7.631 5.413 1.00 0.34 C ATOM 734 OG SER A 47 2.715 8.996 5.746 1.00 0.89 O ATOM 0 H SER A 47 3.120 5.382 4.321 1.00 0.26 H new ATOM 0 HA SER A 47 1.434 7.712 3.861 1.00 0.29 H new ATOM 0 HB2 SER A 47 2.376 6.988 6.099 1.00 0.34 H new ATOM 0 HB3 SER A 47 3.982 7.379 5.518 1.00 0.34 H new ATOM 0 HG SER A 47 3.008 9.157 6.667 1.00 0.89 H new ATOM 740 N MET A 48 4.456 7.602 2.600 1.00 0.29 N ATOM 741 CA MET A 48 5.363 8.324 1.663 1.00 0.30 C ATOM 742 C MET A 48 4.724 8.387 0.274 1.00 0.28 C ATOM 743 O MET A 48 4.611 9.440 -0.321 1.00 0.34 O ATOM 744 CB MET A 48 6.699 7.583 1.577 1.00 0.37 C ATOM 745 CG MET A 48 7.458 7.744 2.895 1.00 1.05 C ATOM 746 SD MET A 48 9.218 7.425 2.622 1.00 1.48 S ATOM 747 CE MET A 48 9.277 5.795 3.405 1.00 0.80 C ATOM 0 H MET A 48 4.764 6.668 2.870 1.00 0.29 H new ATOM 0 HA MET A 48 5.530 9.337 2.029 1.00 0.30 H new ATOM 0 HB2 MET A 48 6.528 6.527 1.370 1.00 0.37 H new ATOM 0 HB3 MET A 48 7.293 7.977 0.753 1.00 0.37 H new ATOM 0 HG2 MET A 48 7.317 8.751 3.287 1.00 1.05 H new ATOM 0 HG3 MET A 48 7.064 7.053 3.640 1.00 1.05 H new ATOM 0 HE1 MET A 48 9.853 5.855 4.328 1.00 0.80 H new ATOM 0 HE2 MET A 48 8.264 5.463 3.631 1.00 0.80 H new ATOM 0 HE3 MET A 48 9.749 5.083 2.728 1.00 0.80 H new ATOM 757 N LEU A 49 4.305 7.267 -0.248 1.00 0.28 N ATOM 758 CA LEU A 49 3.673 7.263 -1.598 1.00 0.32 C ATOM 759 C LEU A 49 2.490 8.232 -1.609 1.00 0.28 C ATOM 760 O LEU A 49 2.400 9.109 -2.445 1.00 0.42 O ATOM 761 CB LEU A 49 3.180 5.852 -1.926 1.00 0.40 C ATOM 762 CG LEU A 49 4.367 4.887 -1.948 1.00 0.38 C ATOM 763 CD1 LEU A 49 3.855 3.445 -1.935 1.00 0.89 C ATOM 764 CD2 LEU A 49 5.191 5.122 -3.216 1.00 0.61 C ATOM 0 H LEU A 49 4.373 6.354 0.202 1.00 0.28 H new ATOM 0 HA LEU A 49 4.405 7.574 -2.343 1.00 0.32 H new ATOM 0 HB2 LEU A 49 2.449 5.529 -1.184 1.00 0.40 H new ATOM 0 HB3 LEU A 49 2.676 5.847 -2.893 1.00 0.40 H new ATOM 0 HG LEU A 49 4.990 5.059 -1.070 1.00 0.38 H new ATOM 0 HD11 LEU A 49 4.701 2.758 -1.951 1.00 0.89 H new ATOM 0 HD12 LEU A 49 3.267 3.276 -1.033 1.00 0.89 H new ATOM 0 HD13 LEU A 49 3.231 3.272 -2.812 1.00 0.89 H new ATOM 0 HD21 LEU A 49 6.037 4.435 -3.233 1.00 0.61 H new ATOM 0 HD22 LEU A 49 4.567 4.950 -4.093 1.00 0.61 H new ATOM 0 HD23 LEU A 49 5.557 6.149 -3.227 1.00 0.61 H new ATOM 776 N LEU A 50 1.580 8.082 -0.685 1.00 0.29 N ATOM 777 CA LEU A 50 0.403 8.994 -0.642 1.00 0.33 C ATOM 778 C LEU A 50 0.884 10.445 -0.570 1.00 0.36 C ATOM 779 O LEU A 50 0.227 11.351 -1.044 1.00 0.42 O ATOM 780 CB LEU A 50 -0.444 8.674 0.592 1.00 0.41 C ATOM 781 CG LEU A 50 -1.524 9.744 0.763 1.00 0.69 C ATOM 782 CD1 LEU A 50 -2.336 9.863 -0.528 1.00 1.25 C ATOM 783 CD2 LEU A 50 -2.452 9.348 1.914 1.00 0.46 C ATOM 0 H LEU A 50 1.601 7.367 0.042 1.00 0.29 H new ATOM 0 HA LEU A 50 -0.198 8.856 -1.541 1.00 0.33 H new ATOM 0 HB2 LEU A 50 -0.904 7.692 0.485 1.00 0.41 H new ATOM 0 HB3 LEU A 50 0.188 8.635 1.479 1.00 0.41 H new ATOM 0 HG LEU A 50 -1.055 10.702 0.985 1.00 0.69 H new ATOM 0 HD11 LEU A 50 -3.105 10.626 -0.405 1.00 1.25 H new ATOM 0 HD12 LEU A 50 -1.676 10.143 -1.349 1.00 1.25 H new ATOM 0 HD13 LEU A 50 -2.807 8.906 -0.751 1.00 1.25 H new ATOM 0 HD21 LEU A 50 -3.223 10.109 2.038 1.00 0.46 H new ATOM 0 HD22 LEU A 50 -2.921 8.390 1.690 1.00 0.46 H new ATOM 0 HD23 LEU A 50 -1.874 9.263 2.834 1.00 0.46 H new ATOM 795 N GLU A 51 2.026 10.674 0.018 1.00 0.36 N ATOM 796 CA GLU A 51 2.547 12.066 0.118 1.00 0.45 C ATOM 797 C GLU A 51 2.664 12.669 -1.283 1.00 0.49 C ATOM 798 O GLU A 51 2.034 13.659 -1.598 1.00 0.59 O ATOM 799 CB GLU A 51 3.926 12.048 0.783 1.00 0.48 C ATOM 800 CG GLU A 51 3.987 13.130 1.862 1.00 0.91 C ATOM 801 CD GLU A 51 5.441 13.347 2.287 1.00 1.28 C ATOM 802 OE1 GLU A 51 6.320 12.948 1.542 1.00 1.98 O ATOM 803 OE2 GLU A 51 5.649 13.908 3.350 1.00 1.94 O ATOM 0 H GLU A 51 2.621 9.957 0.434 1.00 0.36 H new ATOM 0 HA GLU A 51 1.863 12.668 0.716 1.00 0.45 H new ATOM 0 HB2 GLU A 51 4.116 11.069 1.223 1.00 0.48 H new ATOM 0 HB3 GLU A 51 4.703 12.219 0.038 1.00 0.48 H new ATOM 0 HG2 GLU A 51 3.565 14.061 1.483 1.00 0.91 H new ATOM 0 HG3 GLU A 51 3.386 12.835 2.722 1.00 0.91 H new ATOM 810 N GLN A 52 3.466 12.080 -2.128 1.00 0.48 N ATOM 811 CA GLN A 52 3.622 12.620 -3.507 1.00 0.57 C ATOM 812 C GLN A 52 4.361 11.599 -4.375 1.00 0.57 C ATOM 813 O GLN A 52 5.571 11.618 -4.479 1.00 0.73 O ATOM 814 CB GLN A 52 4.425 13.922 -3.458 1.00 0.70 C ATOM 815 CG GLN A 52 4.004 14.825 -4.618 1.00 1.19 C ATOM 816 CD GLN A 52 4.717 16.173 -4.501 1.00 1.66 C ATOM 817 OE1 GLN A 52 4.311 17.024 -3.734 1.00 2.22 O ATOM 818 NE2 GLN A 52 5.771 16.406 -5.234 1.00 2.21 N ATOM 0 H GLN A 52 4.019 11.248 -1.922 1.00 0.48 H new ATOM 0 HA GLN A 52 2.638 12.815 -3.933 1.00 0.57 H new ATOM 0 HB2 GLN A 52 4.257 14.430 -2.508 1.00 0.70 H new ATOM 0 HB3 GLN A 52 5.492 13.706 -3.520 1.00 0.70 H new ATOM 0 HG2 GLN A 52 4.251 14.352 -5.569 1.00 1.19 H new ATOM 0 HG3 GLN A 52 2.924 14.971 -4.606 1.00 1.19 H new ATOM 0 HE21 GLN A 52 6.112 15.692 -5.878 1.00 2.21 H new ATOM 0 HE22 GLN A 52 6.254 17.302 -5.163 1.00 2.21 H new ATOM 827 N ASN A 53 3.642 10.707 -4.999 1.00 0.51 N ATOM 828 CA ASN A 53 4.303 9.685 -5.860 1.00 0.52 C ATOM 829 C ASN A 53 3.244 8.949 -6.682 1.00 0.50 C ATOM 830 O ASN A 53 3.143 9.123 -7.880 1.00 0.58 O ATOM 831 CB ASN A 53 5.051 8.682 -4.978 1.00 0.48 C ATOM 832 CG ASN A 53 6.527 9.076 -4.894 1.00 0.87 C ATOM 833 OD1 ASN A 53 6.963 9.633 -3.906 1.00 1.54 O ATOM 834 ND2 ASN A 53 7.319 8.809 -5.895 1.00 1.35 N ATOM 0 H ASN A 53 2.625 10.641 -4.950 1.00 0.51 H new ATOM 0 HA ASN A 53 5.008 10.176 -6.531 1.00 0.52 H new ATOM 0 HB2 ASN A 53 4.612 8.661 -3.980 1.00 0.48 H new ATOM 0 HB3 ASN A 53 4.955 7.677 -5.390 1.00 0.48 H new ATOM 0 HD21 ASN A 53 8.305 9.068 -5.849 1.00 1.35 H new ATOM 0 HD22 ASN A 53 6.953 8.341 -6.724 1.00 1.35 H new ATOM 841 N ASP A 54 2.453 8.127 -6.047 1.00 0.42 N ATOM 842 CA ASP A 54 1.401 7.380 -6.792 1.00 0.42 C ATOM 843 C ASP A 54 0.512 6.627 -5.800 1.00 0.39 C ATOM 844 O ASP A 54 0.548 5.415 -5.715 1.00 0.44 O ATOM 845 CB ASP A 54 2.062 6.382 -7.745 1.00 0.46 C ATOM 846 CG ASP A 54 1.083 6.016 -8.862 1.00 0.71 C ATOM 847 OD1 ASP A 54 -0.076 6.380 -8.750 1.00 1.38 O ATOM 848 OD2 ASP A 54 1.509 5.380 -9.812 1.00 1.37 O ATOM 0 H ASP A 54 2.490 7.941 -5.045 1.00 0.42 H new ATOM 0 HA ASP A 54 0.794 8.081 -7.365 1.00 0.42 H new ATOM 0 HB2 ASP A 54 2.969 6.814 -8.169 1.00 0.46 H new ATOM 0 HB3 ASP A 54 2.360 5.486 -7.200 1.00 0.46 H new ATOM 853 N LEU A 55 -0.286 7.335 -5.048 1.00 0.36 N ATOM 854 CA LEU A 55 -1.176 6.660 -4.061 1.00 0.35 C ATOM 855 C LEU A 55 -2.236 7.649 -3.574 1.00 0.36 C ATOM 856 O LEU A 55 -1.928 8.649 -2.956 1.00 0.46 O ATOM 857 CB LEU A 55 -0.344 6.177 -2.871 1.00 0.33 C ATOM 858 CG LEU A 55 -0.818 4.788 -2.441 1.00 0.29 C ATOM 859 CD1 LEU A 55 0.388 3.941 -2.035 1.00 0.42 C ATOM 860 CD2 LEU A 55 -1.770 4.920 -1.249 1.00 0.39 C ATOM 0 H LEU A 55 -0.360 8.352 -5.074 1.00 0.36 H new ATOM 0 HA LEU A 55 -1.663 5.807 -4.533 1.00 0.35 H new ATOM 0 HB2 LEU A 55 0.711 6.144 -3.142 1.00 0.33 H new ATOM 0 HB3 LEU A 55 -0.438 6.877 -2.041 1.00 0.33 H new ATOM 0 HG LEU A 55 -1.337 4.309 -3.271 1.00 0.29 H new ATOM 0 HD11 LEU A 55 0.051 2.951 -1.728 1.00 0.42 H new ATOM 0 HD12 LEU A 55 1.068 3.847 -2.882 1.00 0.42 H new ATOM 0 HD13 LEU A 55 0.907 4.421 -1.205 1.00 0.42 H new ATOM 0 HD21 LEU A 55 -2.108 3.930 -0.942 1.00 0.39 H new ATOM 0 HD22 LEU A 55 -1.250 5.399 -0.419 1.00 0.39 H new ATOM 0 HD23 LEU A 55 -2.630 5.525 -1.536 1.00 0.39 H new ATOM 872 N GLU A 56 -3.484 7.379 -3.846 1.00 0.36 N ATOM 873 CA GLU A 56 -4.561 8.306 -3.397 1.00 0.40 C ATOM 874 C GLU A 56 -5.927 7.656 -3.646 1.00 0.34 C ATOM 875 O GLU A 56 -6.042 6.754 -4.450 1.00 0.45 O ATOM 876 CB GLU A 56 -4.466 9.614 -4.185 1.00 0.62 C ATOM 877 CG GLU A 56 -4.267 9.302 -5.669 1.00 1.11 C ATOM 878 CD GLU A 56 -4.413 10.586 -6.487 1.00 1.14 C ATOM 879 OE1 GLU A 56 -4.799 11.591 -5.912 1.00 1.62 O ATOM 880 OE2 GLU A 56 -4.136 10.544 -7.674 1.00 1.50 O ATOM 0 H GLU A 56 -3.804 6.557 -4.359 1.00 0.36 H new ATOM 0 HA GLU A 56 -4.446 8.514 -2.333 1.00 0.40 H new ATOM 0 HB2 GLU A 56 -5.373 10.202 -4.045 1.00 0.62 H new ATOM 0 HB3 GLU A 56 -3.636 10.215 -3.814 1.00 0.62 H new ATOM 0 HG2 GLU A 56 -3.281 8.866 -5.830 1.00 1.11 H new ATOM 0 HG3 GLU A 56 -4.999 8.564 -5.997 1.00 1.11 H new ATOM 887 N PRO A 57 -6.922 8.138 -2.945 1.00 0.36 N ATOM 888 CA PRO A 57 -8.295 7.633 -3.060 1.00 0.50 C ATOM 889 C PRO A 57 -8.707 7.556 -4.533 1.00 0.67 C ATOM 890 O PRO A 57 -9.182 8.517 -5.105 1.00 1.52 O ATOM 891 CB PRO A 57 -9.169 8.638 -2.317 1.00 0.59 C ATOM 892 CG PRO A 57 -8.181 9.277 -1.311 1.00 0.52 C ATOM 893 CD PRO A 57 -6.778 9.237 -1.965 1.00 0.45 C ATOM 0 HA PRO A 57 -8.393 6.631 -2.643 1.00 0.50 H new ATOM 0 HB2 PRO A 57 -9.595 9.380 -2.992 1.00 0.59 H new ATOM 0 HB3 PRO A 57 -10.003 8.152 -1.811 1.00 0.59 H new ATOM 0 HG2 PRO A 57 -8.471 10.303 -1.084 1.00 0.52 H new ATOM 0 HG3 PRO A 57 -8.183 8.730 -0.368 1.00 0.52 H new ATOM 0 HD2 PRO A 57 -6.526 10.182 -2.447 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -5.994 9.032 -1.236 1.00 0.45 H new ATOM 901 N GLY A 58 -8.529 6.420 -5.150 1.00 0.70 N ATOM 902 CA GLY A 58 -8.911 6.285 -6.585 1.00 0.72 C ATOM 903 C GLY A 58 -7.654 6.313 -7.456 1.00 0.71 C ATOM 904 O GLY A 58 -7.651 6.861 -8.540 1.00 1.24 O ATOM 0 H GLY A 58 -8.136 5.581 -4.724 1.00 0.70 H new ATOM 0 HA2 GLY A 58 -9.453 5.352 -6.741 1.00 0.72 H new ATOM 0 HA3 GLY A 58 -9.582 7.095 -6.871 1.00 0.72 H new ATOM 908 N HIS A 59 -6.585 5.726 -6.991 1.00 0.45 N ATOM 909 CA HIS A 59 -5.330 5.720 -7.794 1.00 0.50 C ATOM 910 C HIS A 59 -4.241 4.958 -7.035 1.00 0.50 C ATOM 911 O HIS A 59 -3.141 5.442 -6.856 1.00 1.11 O ATOM 912 CB HIS A 59 -4.873 7.160 -8.036 1.00 0.70 C ATOM 913 CG HIS A 59 -4.337 7.288 -9.436 1.00 1.07 C ATOM 914 ND1 HIS A 59 -4.665 8.353 -10.258 1.00 1.70 N ATOM 915 CD2 HIS A 59 -3.495 6.491 -10.172 1.00 1.69 C ATOM 916 CE1 HIS A 59 -4.030 8.172 -11.430 1.00 1.86 C ATOM 917 NE2 HIS A 59 -3.302 7.051 -11.431 1.00 1.86 N ATOM 0 H HIS A 59 -6.527 5.251 -6.090 1.00 0.45 H new ATOM 0 HA HIS A 59 -5.513 5.232 -8.751 1.00 0.50 H new ATOM 0 HB2 HIS A 59 -5.707 7.847 -7.890 1.00 0.70 H new ATOM 0 HB3 HIS A 59 -4.104 7.435 -7.314 1.00 0.70 H new ATOM 0 HD2 HIS A 59 -3.050 5.570 -9.826 1.00 1.69 H new ATOM 0 HE1 HIS A 59 -4.100 8.850 -12.268 1.00 1.86 H new ATOM 0 HE2 HIS A 59 -2.729 6.685 -12.191 1.00 1.86 H new ATOM 925 N THR A 60 -4.539 3.769 -6.588 1.00 0.44 N ATOM 926 CA THR A 60 -3.522 2.976 -5.841 1.00 0.33 C ATOM 927 C THR A 60 -3.137 1.744 -6.663 1.00 0.31 C ATOM 928 O THR A 60 -2.905 0.677 -6.130 1.00 0.31 O ATOM 929 CB THR A 60 -4.108 2.531 -4.499 1.00 0.32 C ATOM 930 OG1 THR A 60 -5.438 2.072 -4.694 1.00 0.55 O ATOM 931 CG2 THR A 60 -4.110 3.710 -3.525 1.00 0.43 C ATOM 0 H THR A 60 -5.443 3.312 -6.708 1.00 0.44 H new ATOM 0 HA THR A 60 -2.638 3.589 -5.665 1.00 0.33 H new ATOM 0 HB THR A 60 -3.502 1.724 -4.087 1.00 0.32 H new ATOM 0 HG1 THR A 60 -5.832 1.834 -3.829 1.00 0.55 H new ATOM 0 HG21 THR A 60 -4.528 3.392 -2.570 1.00 0.43 H new ATOM 0 HG22 THR A 60 -3.089 4.061 -3.376 1.00 0.43 H new ATOM 0 HG23 THR A 60 -4.715 4.519 -3.934 1.00 0.43 H new ATOM 939 N GLU A 61 -3.069 1.884 -7.958 1.00 0.35 N ATOM 940 CA GLU A 61 -2.701 0.722 -8.816 1.00 0.38 C ATOM 941 C GLU A 61 -1.230 0.360 -8.592 1.00 0.34 C ATOM 942 O GLU A 61 -0.833 -0.777 -8.746 1.00 0.39 O ATOM 943 CB GLU A 61 -2.915 1.088 -10.286 1.00 0.46 C ATOM 944 CG GLU A 61 -4.381 0.863 -10.660 1.00 1.16 C ATOM 945 CD GLU A 61 -4.622 1.339 -12.094 1.00 1.54 C ATOM 946 OE1 GLU A 61 -4.065 0.739 -12.998 1.00 2.18 O ATOM 947 OE2 GLU A 61 -5.358 2.297 -12.263 1.00 2.01 O ATOM 0 H GLU A 61 -3.252 2.753 -8.460 1.00 0.35 H new ATOM 0 HA GLU A 61 -3.327 -0.131 -8.555 1.00 0.38 H new ATOM 0 HB2 GLU A 61 -2.641 2.129 -10.456 1.00 0.46 H new ATOM 0 HB3 GLU A 61 -2.269 0.481 -10.921 1.00 0.46 H new ATOM 0 HG2 GLU A 61 -4.632 -0.194 -10.570 1.00 1.16 H new ATOM 0 HG3 GLU A 61 -5.030 1.405 -9.972 1.00 1.16 H new ATOM 954 N LEU A 62 -0.420 1.317 -8.232 1.00 0.31 N ATOM 955 CA LEU A 62 1.024 1.025 -8.002 1.00 0.31 C ATOM 956 C LEU A 62 1.183 0.144 -6.760 1.00 0.28 C ATOM 957 O LEU A 62 1.746 -0.932 -6.818 1.00 0.30 O ATOM 958 CB LEU A 62 1.779 2.340 -7.793 1.00 0.36 C ATOM 959 CG LEU A 62 3.284 2.066 -7.762 1.00 0.46 C ATOM 960 CD1 LEU A 62 3.863 2.240 -9.167 1.00 0.66 C ATOM 961 CD2 LEU A 62 3.960 3.053 -6.807 1.00 0.62 C ATOM 0 H LEU A 62 -0.695 2.288 -8.087 1.00 0.31 H new ATOM 0 HA LEU A 62 1.429 0.502 -8.868 1.00 0.31 H new ATOM 0 HB2 LEU A 62 1.542 3.039 -8.595 1.00 0.36 H new ATOM 0 HB3 LEU A 62 1.465 2.808 -6.860 1.00 0.36 H new ATOM 0 HG LEU A 62 3.462 1.047 -7.420 1.00 0.46 H new ATOM 0 HD11 LEU A 62 4.935 2.045 -9.145 1.00 0.66 H new ATOM 0 HD12 LEU A 62 3.380 1.540 -9.849 1.00 0.66 H new ATOM 0 HD13 LEU A 62 3.687 3.260 -9.510 1.00 0.66 H new ATOM 0 HD21 LEU A 62 5.032 2.860 -6.783 1.00 0.62 H new ATOM 0 HD22 LEU A 62 3.782 4.072 -7.151 1.00 0.62 H new ATOM 0 HD23 LEU A 62 3.547 2.931 -5.806 1.00 0.62 H new ATOM 973 N LEU A 63 0.695 0.593 -5.636 1.00 0.28 N ATOM 974 CA LEU A 63 0.822 -0.216 -4.391 1.00 0.28 C ATOM 975 C LEU A 63 0.203 -1.601 -4.600 1.00 0.26 C ATOM 976 O LEU A 63 0.840 -2.613 -4.387 1.00 0.27 O ATOM 977 CB LEU A 63 0.097 0.496 -3.247 1.00 0.32 C ATOM 978 CG LEU A 63 0.424 -0.200 -1.925 1.00 0.32 C ATOM 979 CD1 LEU A 63 1.848 0.160 -1.497 1.00 0.37 C ATOM 980 CD2 LEU A 63 -0.563 0.261 -0.850 1.00 0.38 C ATOM 0 H LEU A 63 0.214 1.486 -5.526 1.00 0.28 H new ATOM 0 HA LEU A 63 1.878 -0.330 -4.145 1.00 0.28 H new ATOM 0 HB2 LEU A 63 0.401 1.542 -3.205 1.00 0.32 H new ATOM 0 HB3 LEU A 63 -0.979 0.484 -3.420 1.00 0.32 H new ATOM 0 HG LEU A 63 0.346 -1.280 -2.053 1.00 0.32 H new ATOM 0 HD11 LEU A 63 2.081 -0.336 -0.555 1.00 0.37 H new ATOM 0 HD12 LEU A 63 2.552 -0.167 -2.263 1.00 0.37 H new ATOM 0 HD13 LEU A 63 1.927 1.239 -1.368 1.00 0.37 H new ATOM 0 HD21 LEU A 63 -0.331 -0.234 0.093 1.00 0.38 H new ATOM 0 HD22 LEU A 63 -0.484 1.341 -0.722 1.00 0.38 H new ATOM 0 HD23 LEU A 63 -1.578 0.005 -1.154 1.00 0.38 H new ATOM 992 N ARG A 64 -1.034 -1.655 -5.011 1.00 0.25 N ATOM 993 CA ARG A 64 -1.691 -2.976 -5.227 1.00 0.27 C ATOM 994 C ARG A 64 -0.851 -3.828 -6.182 1.00 0.26 C ATOM 995 O ARG A 64 -0.888 -5.041 -6.137 1.00 0.28 O ATOM 996 CB ARG A 64 -3.089 -2.761 -5.816 1.00 0.30 C ATOM 997 CG ARG A 64 -3.083 -3.089 -7.312 1.00 0.68 C ATOM 998 CD ARG A 64 -4.409 -2.648 -7.935 1.00 0.97 C ATOM 999 NE ARG A 64 -5.074 -3.821 -8.569 1.00 0.91 N ATOM 1000 CZ ARG A 64 -5.273 -3.840 -9.858 1.00 1.24 C ATOM 1001 NH1 ARG A 64 -6.172 -3.059 -10.392 1.00 1.99 N ATOM 1002 NH2 ARG A 64 -4.572 -4.641 -10.615 1.00 1.78 N ATOM 0 H ARG A 64 -1.618 -0.842 -5.207 1.00 0.25 H new ATOM 0 HA ARG A 64 -1.776 -3.495 -4.272 1.00 0.27 H new ATOM 0 HB2 ARG A 64 -3.811 -3.393 -5.300 1.00 0.30 H new ATOM 0 HB3 ARG A 64 -3.402 -1.728 -5.663 1.00 0.30 H new ATOM 0 HG2 ARG A 64 -2.252 -2.583 -7.803 1.00 0.68 H new ATOM 0 HG3 ARG A 64 -2.937 -4.159 -7.460 1.00 0.68 H new ATOM 0 HD2 ARG A 64 -5.057 -2.218 -7.171 1.00 0.97 H new ATOM 0 HD3 ARG A 64 -4.233 -1.870 -8.678 1.00 0.97 H new ATOM 0 HE ARG A 64 -5.374 -4.609 -7.995 1.00 0.91 H new ATOM 0 HH11 ARG A 64 -6.720 -2.433 -9.801 1.00 1.99 H new ATOM 0 HH12 ARG A 64 -6.327 -3.074 -11.400 1.00 1.99 H new ATOM 0 HH21 ARG A 64 -3.869 -5.251 -10.198 1.00 1.78 H new ATOM 0 HH22 ARG A 64 -4.727 -4.656 -11.623 1.00 1.78 H new ATOM 1016 N GLU A 65 -0.095 -3.210 -7.047 1.00 0.26 N ATOM 1017 CA GLU A 65 0.740 -3.998 -7.999 1.00 0.28 C ATOM 1018 C GLU A 65 1.833 -4.738 -7.225 1.00 0.29 C ATOM 1019 O GLU A 65 2.036 -5.924 -7.397 1.00 0.30 O ATOM 1020 CB GLU A 65 1.385 -3.056 -9.017 1.00 0.31 C ATOM 1021 CG GLU A 65 1.891 -3.866 -10.213 1.00 0.88 C ATOM 1022 CD GLU A 65 2.173 -2.925 -11.385 1.00 1.19 C ATOM 1023 OE1 GLU A 65 1.754 -1.781 -11.316 1.00 1.90 O ATOM 1024 OE2 GLU A 65 2.803 -3.364 -12.333 1.00 1.78 O ATOM 0 H GLU A 65 -0.019 -2.197 -7.136 1.00 0.26 H new ATOM 0 HA GLU A 65 0.111 -4.719 -8.521 1.00 0.28 H new ATOM 0 HB2 GLU A 65 0.661 -2.311 -9.349 1.00 0.31 H new ATOM 0 HB3 GLU A 65 2.211 -2.515 -8.555 1.00 0.31 H new ATOM 0 HG2 GLU A 65 2.797 -4.407 -9.942 1.00 0.88 H new ATOM 0 HG3 GLU A 65 1.149 -4.611 -10.501 1.00 0.88 H new ATOM 1031 N LEU A 66 2.539 -4.047 -6.373 1.00 0.32 N ATOM 1032 CA LEU A 66 3.619 -4.708 -5.588 1.00 0.36 C ATOM 1033 C LEU A 66 3.029 -5.872 -4.785 1.00 0.32 C ATOM 1034 O LEU A 66 3.597 -6.947 -4.718 1.00 0.35 O ATOM 1035 CB LEU A 66 4.245 -3.691 -4.635 1.00 0.41 C ATOM 1036 CG LEU A 66 4.899 -2.570 -5.442 1.00 0.58 C ATOM 1037 CD1 LEU A 66 4.612 -1.224 -4.774 1.00 1.14 C ATOM 1038 CD2 LEU A 66 6.412 -2.798 -5.496 1.00 1.23 C ATOM 0 H LEU A 66 2.414 -3.052 -6.186 1.00 0.32 H new ATOM 0 HA LEU A 66 4.383 -5.089 -6.265 1.00 0.36 H new ATOM 0 HB2 LEU A 66 3.483 -3.280 -3.973 1.00 0.41 H new ATOM 0 HB3 LEU A 66 4.987 -4.178 -4.002 1.00 0.41 H new ATOM 0 HG LEU A 66 4.493 -2.567 -6.454 1.00 0.58 H new ATOM 0 HD11 LEU A 66 5.079 -0.425 -5.350 1.00 1.14 H new ATOM 0 HD12 LEU A 66 3.535 -1.060 -4.733 1.00 1.14 H new ATOM 0 HD13 LEU A 66 5.017 -1.226 -3.762 1.00 1.14 H new ATOM 0 HD21 LEU A 66 6.880 -1.999 -6.071 1.00 1.23 H new ATOM 0 HD22 LEU A 66 6.816 -2.801 -4.484 1.00 1.23 H new ATOM 0 HD23 LEU A 66 6.619 -3.757 -5.972 1.00 1.23 H new ATOM 1050 N LEU A 67 1.892 -5.671 -4.177 1.00 0.29 N ATOM 1051 CA LEU A 67 1.274 -6.771 -3.387 1.00 0.28 C ATOM 1052 C LEU A 67 0.971 -7.937 -4.326 1.00 0.29 C ATOM 1053 O LEU A 67 1.050 -9.090 -3.950 1.00 0.29 O ATOM 1054 CB LEU A 67 -0.023 -6.278 -2.741 1.00 0.27 C ATOM 1055 CG LEU A 67 0.231 -4.943 -2.038 1.00 0.29 C ATOM 1056 CD1 LEU A 67 -0.848 -4.710 -0.979 1.00 0.32 C ATOM 1057 CD2 LEU A 67 1.604 -4.973 -1.363 1.00 0.39 C ATOM 0 H LEU A 67 1.367 -4.797 -4.193 1.00 0.29 H new ATOM 0 HA LEU A 67 1.958 -7.094 -2.602 1.00 0.28 H new ATOM 0 HB2 LEU A 67 -0.797 -6.160 -3.499 1.00 0.27 H new ATOM 0 HB3 LEU A 67 -0.388 -7.014 -2.025 1.00 0.27 H new ATOM 0 HG LEU A 67 0.203 -4.137 -2.772 1.00 0.29 H new ATOM 0 HD11 LEU A 67 -0.667 -3.759 -0.478 1.00 0.32 H new ATOM 0 HD12 LEU A 67 -1.828 -4.688 -1.456 1.00 0.32 H new ATOM 0 HD13 LEU A 67 -0.819 -5.517 -0.247 1.00 0.32 H new ATOM 0 HD21 LEU A 67 1.784 -4.022 -0.862 1.00 0.39 H new ATOM 0 HD22 LEU A 67 1.632 -5.780 -0.630 1.00 0.39 H new ATOM 0 HD23 LEU A 67 2.376 -5.139 -2.115 1.00 0.39 H new ATOM 1069 N ALA A 68 0.630 -7.643 -5.551 1.00 0.31 N ATOM 1070 CA ALA A 68 0.330 -8.731 -6.521 1.00 0.34 C ATOM 1071 C ALA A 68 1.604 -9.542 -6.757 1.00 0.32 C ATOM 1072 O ALA A 68 1.563 -10.735 -6.981 1.00 0.32 O ATOM 1073 CB ALA A 68 -0.144 -8.124 -7.843 1.00 0.42 C ATOM 0 H ALA A 68 0.547 -6.696 -5.921 1.00 0.31 H new ATOM 0 HA ALA A 68 -0.454 -9.377 -6.125 1.00 0.34 H new ATOM 0 HB1 ALA A 68 -0.363 -8.922 -8.552 1.00 0.42 H new ATOM 0 HB2 ALA A 68 -1.044 -7.534 -7.671 1.00 0.42 H new ATOM 0 HB3 ALA A 68 0.638 -7.482 -8.250 1.00 0.42 H new ATOM 1079 N SER A 69 2.739 -8.897 -6.703 1.00 0.34 N ATOM 1080 CA SER A 69 4.023 -9.621 -6.918 1.00 0.37 C ATOM 1081 C SER A 69 4.241 -10.608 -5.770 1.00 0.37 C ATOM 1082 O SER A 69 4.670 -11.726 -5.975 1.00 0.45 O ATOM 1083 CB SER A 69 5.176 -8.618 -6.955 1.00 0.40 C ATOM 1084 OG SER A 69 6.108 -9.012 -7.954 1.00 1.17 O ATOM 0 H SER A 69 2.831 -7.898 -6.519 1.00 0.34 H new ATOM 0 HA SER A 69 3.985 -10.161 -7.864 1.00 0.37 H new ATOM 0 HB2 SER A 69 4.797 -7.618 -7.168 1.00 0.40 H new ATOM 0 HB3 SER A 69 5.665 -8.573 -5.982 1.00 0.40 H new ATOM 0 HG SER A 69 6.848 -8.370 -7.982 1.00 1.17 H new ATOM 1090 N LEU A 70 3.944 -10.208 -4.560 1.00 0.36 N ATOM 1091 CA LEU A 70 4.133 -11.137 -3.406 1.00 0.43 C ATOM 1092 C LEU A 70 3.159 -12.320 -3.532 1.00 0.40 C ATOM 1093 O LEU A 70 3.308 -13.322 -2.862 1.00 0.46 O ATOM 1094 CB LEU A 70 3.846 -10.393 -2.091 1.00 0.49 C ATOM 1095 CG LEU A 70 4.965 -10.624 -1.056 1.00 0.85 C ATOM 1096 CD1 LEU A 70 4.430 -10.291 0.336 1.00 1.59 C ATOM 1097 CD2 LEU A 70 5.424 -12.087 -1.059 1.00 1.73 C ATOM 0 H LEU A 70 3.581 -9.285 -4.322 1.00 0.36 H new ATOM 0 HA LEU A 70 5.160 -11.502 -3.406 1.00 0.43 H new ATOM 0 HB2 LEU A 70 3.747 -9.326 -2.290 1.00 0.49 H new ATOM 0 HB3 LEU A 70 2.894 -10.731 -1.681 1.00 0.49 H new ATOM 0 HG LEU A 70 5.810 -9.986 -1.315 1.00 0.85 H new ATOM 0 HD11 LEU A 70 5.215 -10.451 1.075 1.00 1.59 H new ATOM 0 HD12 LEU A 70 4.113 -9.249 0.364 1.00 1.59 H new ATOM 0 HD13 LEU A 70 3.580 -10.935 0.563 1.00 1.59 H new ATOM 0 HD21 LEU A 70 6.214 -12.222 -0.320 1.00 1.73 H new ATOM 0 HD22 LEU A 70 4.582 -12.733 -0.812 1.00 1.73 H new ATOM 0 HD23 LEU A 70 5.804 -12.347 -2.047 1.00 1.73 H new ATOM 1109 N ARG A 71 2.158 -12.208 -4.377 1.00 0.34 N ATOM 1110 CA ARG A 71 1.171 -13.315 -4.543 1.00 0.36 C ATOM 1111 C ARG A 71 0.266 -13.371 -3.310 1.00 0.31 C ATOM 1112 O ARG A 71 -0.242 -14.412 -2.946 1.00 0.37 O ATOM 1113 CB ARG A 71 1.896 -14.654 -4.717 1.00 0.47 C ATOM 1114 CG ARG A 71 1.111 -15.539 -5.686 1.00 0.94 C ATOM 1115 CD ARG A 71 2.049 -16.579 -6.301 1.00 1.18 C ATOM 1116 NE ARG A 71 1.521 -17.001 -7.629 1.00 1.56 N ATOM 1117 CZ ARG A 71 2.342 -17.402 -8.561 1.00 2.10 C ATOM 1118 NH1 ARG A 71 2.964 -16.528 -9.303 1.00 2.82 N ATOM 1119 NH2 ARG A 71 2.540 -18.678 -8.750 1.00 2.61 N ATOM 0 H ARG A 71 1.985 -11.389 -4.961 1.00 0.34 H new ATOM 0 HA ARG A 71 0.570 -13.128 -5.433 1.00 0.36 H new ATOM 0 HB2 ARG A 71 2.904 -14.487 -5.096 1.00 0.47 H new ATOM 0 HB3 ARG A 71 1.997 -15.153 -3.753 1.00 0.47 H new ATOM 0 HG2 ARG A 71 0.294 -16.035 -5.162 1.00 0.94 H new ATOM 0 HG3 ARG A 71 0.663 -14.929 -6.470 1.00 0.94 H new ATOM 0 HD2 ARG A 71 3.050 -16.161 -6.412 1.00 1.18 H new ATOM 0 HD3 ARG A 71 2.135 -17.442 -5.641 1.00 1.18 H new ATOM 0 HE ARG A 71 0.517 -16.976 -7.810 1.00 1.56 H new ATOM 0 HH11 ARG A 71 2.809 -15.531 -9.155 1.00 2.82 H new ATOM 0 HH12 ARG A 71 3.606 -16.842 -10.031 1.00 2.82 H new ATOM 0 HH21 ARG A 71 2.053 -19.361 -8.170 1.00 2.61 H new ATOM 0 HH22 ARG A 71 3.181 -18.992 -9.478 1.00 2.61 H new ATOM 1133 N ARG A 72 0.057 -12.251 -2.668 1.00 0.26 N ATOM 1134 CA ARG A 72 -0.819 -12.233 -1.462 1.00 0.25 C ATOM 1135 C ARG A 72 -2.206 -11.722 -1.858 1.00 0.22 C ATOM 1136 O ARG A 72 -2.451 -10.532 -1.902 1.00 0.24 O ATOM 1137 CB ARG A 72 -0.215 -11.305 -0.406 1.00 0.27 C ATOM 1138 CG ARG A 72 0.603 -12.128 0.591 1.00 0.61 C ATOM 1139 CD ARG A 72 -0.340 -12.965 1.457 1.00 0.89 C ATOM 1140 NE ARG A 72 0.244 -13.121 2.819 1.00 1.09 N ATOM 1141 CZ ARG A 72 0.418 -14.312 3.322 1.00 1.27 C ATOM 1142 NH1 ARG A 72 -0.558 -15.177 3.302 1.00 2.12 N ATOM 1143 NH2 ARG A 72 1.569 -14.638 3.844 1.00 1.68 N ATOM 0 H ARG A 72 0.456 -11.349 -2.928 1.00 0.26 H new ATOM 0 HA ARG A 72 -0.901 -13.240 -1.052 1.00 0.25 H new ATOM 0 HB2 ARG A 72 0.419 -10.558 -0.883 1.00 0.27 H new ATOM 0 HB3 ARG A 72 -1.006 -10.766 0.115 1.00 0.27 H new ATOM 0 HG2 ARG A 72 1.298 -12.778 0.059 1.00 0.61 H new ATOM 0 HG3 ARG A 72 1.201 -11.468 1.219 1.00 0.61 H new ATOM 0 HD2 ARG A 72 -1.316 -12.484 1.521 1.00 0.89 H new ATOM 0 HD3 ARG A 72 -0.496 -13.943 1.002 1.00 0.89 H new ATOM 0 HE ARG A 72 0.508 -12.296 3.358 1.00 1.09 H new ATOM 0 HH11 ARG A 72 -1.457 -14.922 2.893 1.00 2.12 H new ATOM 0 HH12 ARG A 72 -0.422 -16.108 3.695 1.00 2.12 H new ATOM 0 HH21 ARG A 72 2.332 -13.962 3.859 1.00 1.68 H new ATOM 0 HH22 ARG A 72 1.705 -15.569 4.237 1.00 1.68 H new ATOM 1157 N HIS A 73 -3.113 -12.611 -2.152 1.00 0.26 N ATOM 1158 CA HIS A 73 -4.482 -12.178 -2.551 1.00 0.28 C ATOM 1159 C HIS A 73 -5.320 -11.836 -1.312 1.00 0.27 C ATOM 1160 O HIS A 73 -6.327 -11.167 -1.408 1.00 0.29 O ATOM 1161 CB HIS A 73 -5.164 -13.308 -3.326 1.00 0.37 C ATOM 1162 CG HIS A 73 -4.893 -13.145 -4.797 1.00 0.99 C ATOM 1163 ND1 HIS A 73 -5.836 -12.623 -5.669 1.00 1.72 N ATOM 1164 CD2 HIS A 73 -3.792 -13.432 -5.565 1.00 1.91 C ATOM 1165 CE1 HIS A 73 -5.290 -12.613 -6.899 1.00 2.21 C ATOM 1166 NE2 HIS A 73 -4.045 -13.095 -6.892 1.00 2.37 N ATOM 0 H HIS A 73 -2.966 -13.620 -2.133 1.00 0.26 H new ATOM 0 HA HIS A 73 -4.401 -11.290 -3.178 1.00 0.28 H new ATOM 0 HB2 HIS A 73 -4.793 -14.274 -2.982 1.00 0.37 H new ATOM 0 HB3 HIS A 73 -6.238 -13.294 -3.140 1.00 0.37 H new ATOM 0 HD2 HIS A 73 -2.869 -13.855 -5.196 1.00 1.91 H new ATOM 0 HE1 HIS A 73 -5.797 -12.258 -7.784 1.00 2.21 H new ATOM 0 HE2 HIS A 73 -3.415 -13.195 -7.688 1.00 2.37 H new ATOM 1174 N ASP A 74 -4.927 -12.288 -0.151 1.00 0.29 N ATOM 1175 CA ASP A 74 -5.724 -11.978 1.072 1.00 0.34 C ATOM 1176 C ASP A 74 -5.592 -10.493 1.422 1.00 0.32 C ATOM 1177 O ASP A 74 -6.541 -9.861 1.844 1.00 0.42 O ATOM 1178 CB ASP A 74 -5.215 -12.825 2.241 1.00 0.39 C ATOM 1179 CG ASP A 74 -5.961 -14.161 2.266 1.00 1.07 C ATOM 1180 OD1 ASP A 74 -7.169 -14.146 2.093 1.00 1.82 O ATOM 1181 OD2 ASP A 74 -5.312 -15.176 2.458 1.00 1.70 O ATOM 0 H ASP A 74 -4.093 -12.855 0.003 1.00 0.29 H new ATOM 0 HA ASP A 74 -6.772 -12.208 0.882 1.00 0.34 H new ATOM 0 HB2 ASP A 74 -4.143 -12.997 2.140 1.00 0.39 H new ATOM 0 HB3 ASP A 74 -5.366 -12.294 3.181 1.00 0.39 H new ATOM 1186 N LEU A 75 -4.430 -9.930 1.248 1.00 0.28 N ATOM 1187 CA LEU A 75 -4.253 -8.482 1.570 1.00 0.31 C ATOM 1188 C LEU A 75 -4.541 -7.671 0.314 1.00 0.30 C ATOM 1189 O LEU A 75 -5.323 -6.740 0.319 1.00 0.33 O ATOM 1190 CB LEU A 75 -2.815 -8.187 2.024 1.00 0.39 C ATOM 1191 CG LEU A 75 -2.152 -9.448 2.578 1.00 0.37 C ATOM 1192 CD1 LEU A 75 -0.775 -9.090 3.140 1.00 0.71 C ATOM 1193 CD2 LEU A 75 -3.019 -10.036 3.696 1.00 0.61 C ATOM 0 H LEU A 75 -3.597 -10.404 0.899 1.00 0.28 H new ATOM 0 HA LEU A 75 -4.935 -8.217 2.378 1.00 0.31 H new ATOM 0 HB2 LEU A 75 -2.235 -7.804 1.184 1.00 0.39 H new ATOM 0 HB3 LEU A 75 -2.822 -7.409 2.787 1.00 0.39 H new ATOM 0 HG LEU A 75 -2.044 -10.182 1.779 1.00 0.37 H new ATOM 0 HD11 LEU A 75 -0.299 -9.987 3.536 1.00 0.71 H new ATOM 0 HD12 LEU A 75 -0.156 -8.671 2.347 1.00 0.71 H new ATOM 0 HD13 LEU A 75 -0.887 -8.356 3.938 1.00 0.71 H new ATOM 0 HD21 LEU A 75 -2.545 -10.935 4.090 1.00 0.61 H new ATOM 0 HD22 LEU A 75 -3.128 -9.303 4.496 1.00 0.61 H new ATOM 0 HD23 LEU A 75 -4.002 -10.289 3.299 1.00 0.61 H new ATOM 1205 N LEU A 76 -3.903 -8.025 -0.763 1.00 0.28 N ATOM 1206 CA LEU A 76 -4.116 -7.290 -2.040 1.00 0.32 C ATOM 1207 C LEU A 76 -5.616 -7.241 -2.359 1.00 0.33 C ATOM 1208 O LEU A 76 -6.090 -6.330 -3.009 1.00 0.37 O ATOM 1209 CB LEU A 76 -3.356 -8.017 -3.164 1.00 0.37 C ATOM 1210 CG LEU A 76 -3.453 -7.253 -4.498 1.00 0.53 C ATOM 1211 CD1 LEU A 76 -4.776 -7.583 -5.192 1.00 1.40 C ATOM 1212 CD2 LEU A 76 -3.367 -5.743 -4.260 1.00 0.39 C ATOM 0 H LEU A 76 -3.238 -8.797 -0.815 1.00 0.28 H new ATOM 0 HA LEU A 76 -3.744 -6.269 -1.952 1.00 0.32 H new ATOM 0 HB2 LEU A 76 -2.309 -8.129 -2.883 1.00 0.37 H new ATOM 0 HB3 LEU A 76 -3.762 -9.021 -3.288 1.00 0.37 H new ATOM 0 HG LEU A 76 -2.621 -7.559 -5.132 1.00 0.53 H new ATOM 0 HD11 LEU A 76 -4.838 -7.039 -6.135 1.00 1.40 H new ATOM 0 HD12 LEU A 76 -4.827 -8.654 -5.387 1.00 1.40 H new ATOM 0 HD13 LEU A 76 -5.607 -7.291 -4.550 1.00 1.40 H new ATOM 0 HD21 LEU A 76 -3.437 -5.220 -5.214 1.00 0.39 H new ATOM 0 HD22 LEU A 76 -4.186 -5.429 -3.613 1.00 0.39 H new ATOM 0 HD23 LEU A 76 -2.416 -5.503 -3.784 1.00 0.39 H new ATOM 1224 N ARG A 77 -6.371 -8.210 -1.910 1.00 0.35 N ATOM 1225 CA ARG A 77 -7.834 -8.199 -2.199 1.00 0.41 C ATOM 1226 C ARG A 77 -8.492 -7.022 -1.476 1.00 0.38 C ATOM 1227 O ARG A 77 -9.319 -6.330 -2.029 1.00 0.38 O ATOM 1228 CB ARG A 77 -8.469 -9.507 -1.721 1.00 0.49 C ATOM 1229 CG ARG A 77 -9.993 -9.376 -1.752 1.00 1.03 C ATOM 1230 CD ARG A 77 -10.629 -10.746 -1.513 1.00 1.44 C ATOM 1231 NE ARG A 77 -10.952 -11.380 -2.822 1.00 1.71 N ATOM 1232 CZ ARG A 77 -12.001 -12.149 -2.934 1.00 2.18 C ATOM 1233 NH1 ARG A 77 -12.377 -12.891 -1.928 1.00 2.58 N ATOM 1234 NH2 ARG A 77 -12.672 -12.178 -4.053 1.00 2.85 N ATOM 0 H ARG A 77 -6.040 -9.003 -1.360 1.00 0.35 H new ATOM 0 HA ARG A 77 -7.983 -8.097 -3.274 1.00 0.41 H new ATOM 0 HB2 ARG A 77 -8.151 -10.332 -2.359 1.00 0.49 H new ATOM 0 HB3 ARG A 77 -8.134 -9.738 -0.710 1.00 0.49 H new ATOM 0 HG2 ARG A 77 -10.323 -8.672 -0.988 1.00 1.03 H new ATOM 0 HG3 ARG A 77 -10.315 -8.977 -2.714 1.00 1.03 H new ATOM 0 HD2 ARG A 77 -9.947 -11.381 -0.948 1.00 1.44 H new ATOM 0 HD3 ARG A 77 -11.534 -10.639 -0.916 1.00 1.44 H new ATOM 0 HE ARG A 77 -10.353 -11.213 -3.631 1.00 1.71 H new ATOM 0 HH11 ARG A 77 -11.851 -12.870 -1.054 1.00 2.58 H new ATOM 0 HH12 ARG A 77 -13.197 -13.492 -2.016 1.00 2.58 H new ATOM 0 HH21 ARG A 77 -12.377 -11.600 -4.840 1.00 2.85 H new ATOM 0 HH22 ARG A 77 -13.492 -12.779 -4.141 1.00 2.85 H new ATOM 1248 N ARG A 78 -8.133 -6.793 -0.242 1.00 0.39 N ATOM 1249 CA ARG A 78 -8.742 -5.662 0.514 1.00 0.40 C ATOM 1250 C ARG A 78 -8.319 -4.330 -0.112 1.00 0.33 C ATOM 1251 O ARG A 78 -9.093 -3.397 -0.189 1.00 0.32 O ATOM 1252 CB ARG A 78 -8.268 -5.710 1.968 1.00 0.48 C ATOM 1253 CG ARG A 78 -9.479 -5.669 2.903 1.00 0.88 C ATOM 1254 CD ARG A 78 -9.121 -6.340 4.230 1.00 1.19 C ATOM 1255 NE ARG A 78 -10.015 -7.511 4.451 1.00 1.51 N ATOM 1256 CZ ARG A 78 -10.722 -7.595 5.544 1.00 1.83 C ATOM 1257 NH1 ARG A 78 -11.521 -6.620 5.881 1.00 2.57 N ATOM 1258 NH2 ARG A 78 -10.629 -8.654 6.301 1.00 2.20 N ATOM 0 H ARG A 78 -7.445 -7.340 0.275 1.00 0.39 H new ATOM 0 HA ARG A 78 -9.828 -5.749 0.477 1.00 0.40 H new ATOM 0 HB2 ARG A 78 -7.691 -6.618 2.143 1.00 0.48 H new ATOM 0 HB3 ARG A 78 -7.608 -4.868 2.174 1.00 0.48 H new ATOM 0 HG2 ARG A 78 -9.784 -4.637 3.076 1.00 0.88 H new ATOM 0 HG3 ARG A 78 -10.325 -6.178 2.442 1.00 0.88 H new ATOM 0 HD2 ARG A 78 -8.079 -6.661 4.218 1.00 1.19 H new ATOM 0 HD3 ARG A 78 -9.226 -5.629 5.049 1.00 1.19 H new ATOM 0 HE ARG A 78 -10.074 -8.247 3.748 1.00 1.51 H new ATOM 0 HH11 ARG A 78 -11.593 -5.792 5.290 1.00 2.57 H new ATOM 0 HH12 ARG A 78 -12.074 -6.686 6.736 1.00 2.57 H new ATOM 0 HH21 ARG A 78 -10.004 -9.416 6.038 1.00 2.20 H new ATOM 0 HH22 ARG A 78 -11.182 -8.720 7.156 1.00 2.20 H new ATOM 1272 N VAL A 79 -7.096 -4.232 -0.557 1.00 0.32 N ATOM 1273 CA VAL A 79 -6.626 -2.958 -1.174 1.00 0.30 C ATOM 1274 C VAL A 79 -7.523 -2.593 -2.359 1.00 0.28 C ATOM 1275 O VAL A 79 -8.198 -1.583 -2.353 1.00 0.30 O ATOM 1276 CB VAL A 79 -5.186 -3.131 -1.662 1.00 0.36 C ATOM 1277 CG1 VAL A 79 -4.651 -1.788 -2.162 1.00 0.42 C ATOM 1278 CG2 VAL A 79 -4.314 -3.628 -0.507 1.00 0.40 C ATOM 0 H VAL A 79 -6.402 -4.978 -0.520 1.00 0.32 H new ATOM 0 HA VAL A 79 -6.669 -2.161 -0.431 1.00 0.30 H new ATOM 0 HB VAL A 79 -5.163 -3.856 -2.475 1.00 0.36 H new ATOM 0 HG11 VAL A 79 -3.625 -1.912 -2.509 1.00 0.42 H new ATOM 0 HG12 VAL A 79 -5.272 -1.432 -2.984 1.00 0.42 H new ATOM 0 HG13 VAL A 79 -4.674 -1.062 -1.349 1.00 0.42 H new ATOM 0 HG21 VAL A 79 -3.288 -3.752 -0.853 1.00 0.40 H new ATOM 0 HG22 VAL A 79 -4.338 -2.902 0.306 1.00 0.40 H new ATOM 0 HG23 VAL A 79 -4.694 -4.585 -0.150 1.00 0.40 H new ATOM 1288 N ASP A 80 -7.532 -3.407 -3.377 1.00 0.32 N ATOM 1289 CA ASP A 80 -8.383 -3.109 -4.567 1.00 0.36 C ATOM 1290 C ASP A 80 -9.870 -3.282 -4.225 1.00 0.38 C ATOM 1291 O ASP A 80 -10.734 -2.901 -4.991 1.00 0.44 O ATOM 1292 CB ASP A 80 -8.012 -4.064 -5.704 1.00 0.43 C ATOM 1293 CG ASP A 80 -8.566 -3.525 -7.024 1.00 0.61 C ATOM 1294 OD1 ASP A 80 -9.744 -3.721 -7.274 1.00 1.43 O ATOM 1295 OD2 ASP A 80 -7.803 -2.926 -7.764 1.00 1.17 O ATOM 0 H ASP A 80 -6.987 -4.267 -3.438 1.00 0.32 H new ATOM 0 HA ASP A 80 -8.211 -2.077 -4.872 1.00 0.36 H new ATOM 0 HB2 ASP A 80 -6.929 -4.168 -5.767 1.00 0.43 H new ATOM 0 HB3 ASP A 80 -8.416 -5.057 -5.506 1.00 0.43 H new ATOM 1300 N ASP A 81 -10.185 -3.851 -3.090 1.00 0.39 N ATOM 1301 CA ASP A 81 -11.619 -4.037 -2.731 1.00 0.45 C ATOM 1302 C ASP A 81 -12.199 -2.717 -2.219 1.00 0.42 C ATOM 1303 O ASP A 81 -13.374 -2.452 -2.367 1.00 0.46 O ATOM 1304 CB ASP A 81 -11.739 -5.101 -1.639 1.00 0.53 C ATOM 1305 CG ASP A 81 -13.151 -5.075 -1.053 1.00 1.29 C ATOM 1306 OD1 ASP A 81 -14.085 -5.316 -1.799 1.00 1.99 O ATOM 1307 OD2 ASP A 81 -13.274 -4.816 0.133 1.00 1.96 O ATOM 0 H ASP A 81 -9.515 -4.192 -2.401 1.00 0.39 H new ATOM 0 HA ASP A 81 -12.171 -4.356 -3.615 1.00 0.45 H new ATOM 0 HB2 ASP A 81 -11.523 -6.087 -2.052 1.00 0.53 H new ATOM 0 HB3 ASP A 81 -11.005 -4.916 -0.855 1.00 0.53 H new ATOM 1312 N PHE A 82 -11.389 -1.890 -1.616 1.00 0.39 N ATOM 1313 CA PHE A 82 -11.902 -0.591 -1.094 1.00 0.41 C ATOM 1314 C PHE A 82 -12.624 0.174 -2.209 1.00 0.40 C ATOM 1315 O PHE A 82 -13.483 0.994 -1.952 1.00 0.46 O ATOM 1316 CB PHE A 82 -10.735 0.254 -0.581 1.00 0.46 C ATOM 1317 CG PHE A 82 -11.027 1.714 -0.835 1.00 0.56 C ATOM 1318 CD1 PHE A 82 -11.931 2.399 -0.014 1.00 1.24 C ATOM 1319 CD2 PHE A 82 -10.396 2.382 -1.891 1.00 1.45 C ATOM 1320 CE1 PHE A 82 -12.204 3.752 -0.249 1.00 1.34 C ATOM 1321 CE2 PHE A 82 -10.670 3.735 -2.127 1.00 1.62 C ATOM 1322 CZ PHE A 82 -11.574 4.420 -1.306 1.00 1.03 C ATOM 0 H PHE A 82 -10.395 -2.057 -1.462 1.00 0.39 H new ATOM 0 HA PHE A 82 -12.600 -0.789 -0.280 1.00 0.41 H new ATOM 0 HB2 PHE A 82 -10.587 0.081 0.485 1.00 0.46 H new ATOM 0 HB3 PHE A 82 -9.812 -0.037 -1.083 1.00 0.46 H new ATOM 0 HD1 PHE A 82 -12.418 1.884 0.801 1.00 1.24 H new ATOM 0 HD2 PHE A 82 -9.698 1.854 -2.524 1.00 1.45 H new ATOM 0 HE1 PHE A 82 -12.901 4.280 0.385 1.00 1.34 H new ATOM 0 HE2 PHE A 82 -10.184 4.250 -2.942 1.00 1.62 H new ATOM 0 HZ PHE A 82 -11.785 5.463 -1.488 1.00 1.03 H new ATOM 1332 N GLU A 83 -12.282 -0.080 -3.443 1.00 0.41 N ATOM 1333 CA GLU A 83 -12.951 0.642 -4.563 1.00 0.49 C ATOM 1334 C GLU A 83 -13.815 -0.327 -5.380 1.00 0.54 C ATOM 1335 O GLU A 83 -14.717 0.082 -6.083 1.00 0.66 O ATOM 1336 CB GLU A 83 -11.886 1.261 -5.471 1.00 0.59 C ATOM 1337 CG GLU A 83 -12.484 2.450 -6.227 1.00 1.27 C ATOM 1338 CD GLU A 83 -11.552 2.847 -7.373 1.00 1.58 C ATOM 1339 OE1 GLU A 83 -10.513 2.221 -7.510 1.00 1.94 O ATOM 1340 OE2 GLU A 83 -11.891 3.771 -8.094 1.00 2.28 O ATOM 0 H GLU A 83 -11.570 -0.754 -3.724 1.00 0.41 H new ATOM 0 HA GLU A 83 -13.590 1.424 -4.151 1.00 0.49 H new ATOM 0 HB2 GLU A 83 -11.032 1.587 -4.877 1.00 0.59 H new ATOM 0 HB3 GLU A 83 -11.518 0.516 -6.177 1.00 0.59 H new ATOM 0 HG2 GLU A 83 -13.467 2.189 -6.618 1.00 1.27 H new ATOM 0 HG3 GLU A 83 -12.624 3.292 -5.549 1.00 1.27 H new TER 1347 GLU A 83 END