USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) HEADER TRANSFERASE 02-OCT-97 1AWJ TITLE INTRAMOLECULAR ITK-PROLINE COMPLEX, NMR, MINIMIZED AVERAGE TITLE 2 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: ITK; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SH3-PROLINE DOMAINS; COMPND 5 SYNONYM: IL-2-INDUCIBLE T-CELL KINASE; COMPND 6 EC: 2.7.1.112; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 ORGAN: THYMUS; SOURCE 6 CELL: T-CELL; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 0 EXPRESSION_SYSTEM_VECTOR: PGEX-2T KEYWDS TRANSFERASE, REGULATORY INTRAMOLECULAR COMPLEX, KINASE EXPDTA SOLUTION NMR AUTHOR A.H.ANDREOTTI,S.C.BUNNELL,S.FENG,L.J.BERG,S.L.SCHREIBER REVDAT 2 24-FEB-09 1AWJ 1 VERSN REVDAT 1 14-JAN-98 1AWJ 0 JRNL AUTH A.H.ANDREOTTI,S.C.BUNNELL,S.FENG,L.J.BERG, JRNL AUTH 2 S.L.SCHREIBER JRNL TITL REGULATORY INTRAMOLECULAR ASSOCIATION IN A JRNL TITL 2 TYROSINE KINASE OF THE TEC FAMILY. JRNL REF NATURE V. 385 93 1997 JRNL REFN ISSN 0028-0836 JRNL PMID 8985255 JRNL DOI 10.1038/385093A0 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: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE X-PLOR 3.1 MANUAL. REMARK 4 REMARK 4 1AWJ 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) : 298 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY, NOESY, TOSCY, 15N- REMARK 210 DISPERSED NOESY AND TOCSY, 13C REMARK 210 -DISPERSED NOESY, HSQC, RELAY, REMARK 210 HNCOCA, HNCA REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX, X-PLOR REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 4 92.77 -163.21 REMARK 500 PRO A 5 -158.69 -77.71 REMARK 500 ARG A 14 -71.99 -150.00 REMARK 500 ARG A 15 -163.25 -127.92 REMARK 500 SER A 16 -143.70 -100.91 REMARK 500 PHE A 17 -78.40 -159.01 REMARK 500 GLN A 18 -101.65 -130.78 REMARK 500 GLU A 19 7.23 100.65 REMARK 500 GLU A 21 173.65 -57.66 REMARK 500 GLU A 22 -92.27 -84.36 REMARK 500 VAL A 25 -116.07 -139.25 REMARK 500 ILE A 26 -74.78 -160.26 REMARK 500 ALA A 27 61.09 63.80 REMARK 500 LEU A 28 92.53 -66.91 REMARK 500 ALA A 40 -172.81 -52.88 REMARK 500 ARG A 42 -75.69 -89.23 REMARK 500 CYS A 43 47.65 156.99 REMARK 500 GLU A 45 88.16 -65.01 REMARK 500 TYR A 48 -71.86 -129.32 REMARK 500 LEU A 49 -70.03 -79.19 REMARK 500 LEU A 50 80.07 67.01 REMARK 500 ILE A 55 36.38 -83.85 REMARK 500 HIS A 56 -29.39 -177.05 REMARK 500 ASP A 62 -177.22 -50.42 REMARK 500 ASN A 64 46.83 -94.43 REMARK 500 ALA A 70 126.79 -35.02 REMARK 500 VAL A 76 37.11 166.90 REMARK 500 REMARK 500 REMARK: NULL DBREF 1AWJ A 3 79 UNP Q03526 ITK_MOUSE 160 236 SEQRES 1 A 77 LYS LYS PRO LEU PRO PRO THR PRO GLU ASP ASN ARG ARG SEQRES 2 A 77 SER PHE GLN GLU PRO GLU GLU THR LEU VAL ILE ALA LEU SEQRES 3 A 77 TYR ASP TYR GLN THR ASN ASP PRO GLN GLU LEU ALA LEU SEQRES 4 A 77 ARG CYS ASP GLU GLU TYR TYR LEU LEU ASP SER SER GLU SEQRES 5 A 77 ILE HIS TRP TRP ARG VAL GLN ASP LYS ASN GLY HIS GLU SEQRES 6 A 77 GLY TYR ALA PRO SER SER TYR LEU VAL GLU LYS SER HELIX 1 H1 LYS A 4 PRO A 10 10 7 HELIX 2 H2 SER A 72 VAL A 76 5 5 SHEET 1 S1 5 LEU A 28 ASN A 34 0 SHEET 2 S1 5 LEU A 39 CYS A 43 -1 SHEET 3 S1 5 GLU A 67 ALA A 70 1 SHEET 4 S1 5 TRP A 57 GLN A 61 -1 SHEET 5 S1 5 TYR A 48 SER A 52 -1 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 THR OG1 : rot -144:sc= 1.12 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.951 USER MOD Set 2.1: A 31 TYR OH : rot -86:sc= 0.96 USER MOD Set 2.2: A 33 THR OG1 : rot 152:sc= 2.02! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 148:sc= 0.105 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.617 X(o=-0.62,f=-0.26) USER MOD Single : A 16 SER OG : rot 160:sc= -0.24 USER MOD Single : A 18 GLN : amide:sc= -3.25! C(o=-3.3!,f=-4.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 29 TYR OH : rot 16:sc= 0.352 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 34 ASN : amide:sc= -0.0374 X(o=-0.037,f=-0.32) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 43 CYS SG : rot -96:sc= -1.8! USER MOD Single : A 47 TYR OH : rot 75:sc= -3.65! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 112:sc= 0.788 USER MOD Single : A 56 HIS : no HE2:sc= -5.86! C(o=-5.9!,f=-7.5!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.0174 (180deg=-0.376) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HE2:sc= -10.5! C(o=-11!,f=-11!) USER MOD Single : A 69 TYR OH : rot 120:sc= 0.0214 USER MOD Single : A 72 SER OG : rot 32:sc= 0.389 USER MOD Single : A 74 TYR OH : rot -46:sc= 0.111 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -51:sc= 0.137 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 3 82.553 5.416 -1.989 1.00 4.38 N ATOM 2 CA LYS A 3 81.721 5.927 -3.113 1.00 3.79 C ATOM 3 C LYS A 3 80.345 6.335 -2.583 1.00 2.84 C ATOM 4 O LYS A 3 79.882 7.434 -2.811 1.00 2.73 O ATOM 5 CB LYS A 3 81.557 4.830 -4.168 1.00 4.29 C ATOM 6 CG LYS A 3 81.655 5.447 -5.564 1.00 4.87 C ATOM 7 CD LYS A 3 83.088 5.920 -5.813 1.00 5.30 C ATOM 8 CE LYS A 3 83.998 4.706 -6.012 1.00 5.75 C ATOM 9 NZ LYS A 3 85.369 5.028 -5.526 1.00 6.39 N ATOM 0 HA LYS A 3 82.209 6.792 -3.562 1.00 3.79 H new ATOM 0 HB2 LYS A 3 82.327 4.069 -4.040 1.00 4.29 H new ATOM 0 HB3 LYS A 3 80.595 4.333 -4.045 1.00 4.29 H new ATOM 0 HG2 LYS A 3 81.366 4.715 -6.318 1.00 4.87 H new ATOM 0 HG3 LYS A 3 80.964 6.285 -5.652 1.00 4.87 H new ATOM 0 HD2 LYS A 3 83.123 6.562 -6.693 1.00 5.30 H new ATOM 0 HD3 LYS A 3 83.438 6.516 -4.970 1.00 5.30 H new ATOM 0 HE2 LYS A 3 83.601 3.848 -5.470 1.00 5.75 H new ATOM 0 HE3 LYS A 3 84.030 4.431 -7.066 1.00 5.75 H new ATOM 0 HZ1 LYS A 3 85.988 4.203 -5.661 1.00 6.39 H new ATOM 0 HZ2 LYS A 3 85.747 5.835 -6.062 1.00 6.39 H new ATOM 0 HZ3 LYS A 3 85.331 5.270 -4.515 1.00 6.39 H new ATOM 25 N LYS A 4 79.688 5.457 -1.876 1.00 2.58 N ATOM 26 CA LYS A 4 78.344 5.795 -1.331 1.00 1.86 C ATOM 27 C LYS A 4 77.976 4.804 -0.224 1.00 1.50 C ATOM 28 O LYS A 4 77.423 3.756 -0.492 1.00 1.62 O ATOM 29 CB LYS A 4 77.305 5.714 -2.452 1.00 1.89 C ATOM 30 CG LYS A 4 75.925 6.075 -1.897 1.00 2.16 C ATOM 31 CD LYS A 4 74.873 5.138 -2.493 1.00 2.03 C ATOM 32 CE LYS A 4 74.200 5.817 -3.687 1.00 1.97 C ATOM 33 NZ LYS A 4 72.790 6.151 -3.340 1.00 1.98 N ATOM 0 H LYS A 4 80.024 4.520 -1.652 1.00 2.58 H new ATOM 0 HA LYS A 4 78.362 6.805 -0.922 1.00 1.86 H new ATOM 0 HB2 LYS A 4 77.573 6.394 -3.260 1.00 1.89 H new ATOM 0 HB3 LYS A 4 77.287 4.709 -2.874 1.00 1.89 H new ATOM 0 HG2 LYS A 4 75.926 5.993 -0.810 1.00 2.16 H new ATOM 0 HG3 LYS A 4 75.684 7.110 -2.139 1.00 2.16 H new ATOM 0 HD2 LYS A 4 75.339 4.204 -2.808 1.00 2.03 H new ATOM 0 HD3 LYS A 4 74.128 4.884 -1.739 1.00 2.03 H new ATOM 0 HE2 LYS A 4 74.743 6.722 -3.958 1.00 1.97 H new ATOM 0 HE3 LYS A 4 74.226 5.158 -4.555 1.00 1.97 H new ATOM 0 HZ1 LYS A 4 72.506 7.018 -3.839 1.00 1.98 H new ATOM 0 HZ2 LYS A 4 72.168 5.368 -3.624 1.00 1.98 H new ATOM 0 HZ3 LYS A 4 72.711 6.301 -2.314 1.00 1.98 H new ATOM 47 N PRO A 5 78.291 5.169 0.993 1.00 1.28 N ATOM 48 CA PRO A 5 78.001 4.333 2.170 1.00 1.19 C ATOM 49 C PRO A 5 76.522 4.447 2.546 1.00 1.19 C ATOM 50 O PRO A 5 75.695 4.815 1.736 1.00 2.00 O ATOM 51 CB PRO A 5 78.895 4.927 3.262 1.00 1.33 C ATOM 52 CG PRO A 5 79.207 6.379 2.828 1.00 1.48 C ATOM 53 CD PRO A 5 78.962 6.447 1.309 1.00 1.45 C ATOM 0 HA PRO A 5 78.192 3.273 2.006 1.00 1.19 H new ATOM 0 HB2 PRO A 5 78.391 4.910 4.228 1.00 1.33 H new ATOM 0 HB3 PRO A 5 79.812 4.348 3.371 1.00 1.33 H new ATOM 0 HG2 PRO A 5 78.568 7.087 3.356 1.00 1.48 H new ATOM 0 HG3 PRO A 5 80.238 6.642 3.066 1.00 1.48 H new ATOM 0 HD2 PRO A 5 78.338 7.301 1.044 1.00 1.45 H new ATOM 0 HD3 PRO A 5 79.897 6.553 0.759 1.00 1.45 H new ATOM 61 N LEU A 6 76.179 4.136 3.766 1.00 0.60 N ATOM 62 CA LEU A 6 74.752 4.231 4.178 1.00 0.56 C ATOM 63 C LEU A 6 74.565 5.445 5.103 1.00 0.59 C ATOM 64 O LEU A 6 75.325 5.631 6.032 1.00 0.69 O ATOM 65 CB LEU A 6 74.352 2.956 4.925 1.00 0.59 C ATOM 66 CG LEU A 6 73.555 2.044 3.990 1.00 0.69 C ATOM 67 CD1 LEU A 6 73.426 0.655 4.620 1.00 1.14 C ATOM 68 CD2 LEU A 6 72.160 2.632 3.771 1.00 0.99 C ATOM 0 H LEU A 6 76.823 3.822 4.492 1.00 0.60 H new ATOM 0 HA LEU A 6 74.125 4.348 3.294 1.00 0.56 H new ATOM 0 HB2 LEU A 6 75.241 2.438 5.284 1.00 0.59 H new ATOM 0 HB3 LEU A 6 73.754 3.208 5.801 1.00 0.59 H new ATOM 0 HG LEU A 6 74.072 1.965 3.034 1.00 0.69 H new ATOM 0 HD11 LEU A 6 72.858 0.005 3.954 1.00 1.14 H new ATOM 0 HD12 LEU A 6 74.419 0.234 4.779 1.00 1.14 H new ATOM 0 HD13 LEU A 6 72.909 0.736 5.576 1.00 1.14 H new ATOM 0 HD21 LEU A 6 71.592 1.983 3.105 1.00 0.99 H new ATOM 0 HD22 LEU A 6 71.644 2.711 4.728 1.00 0.99 H new ATOM 0 HD23 LEU A 6 72.249 3.622 3.324 1.00 0.99 H new ATOM 80 N PRO A 7 73.557 6.234 4.821 1.00 0.55 N ATOM 81 CA PRO A 7 73.243 7.439 5.614 1.00 0.62 C ATOM 82 C PRO A 7 72.510 7.049 6.902 1.00 0.57 C ATOM 83 O PRO A 7 72.207 5.890 7.109 1.00 0.50 O ATOM 84 CB PRO A 7 72.325 8.244 4.686 1.00 0.66 C ATOM 85 CG PRO A 7 71.717 7.235 3.685 1.00 0.58 C ATOM 86 CD PRO A 7 72.636 6.001 3.689 1.00 0.52 C ATOM 0 HA PRO A 7 74.127 7.997 5.923 1.00 0.62 H new ATOM 0 HB2 PRO A 7 71.542 8.746 5.255 1.00 0.66 H new ATOM 0 HB3 PRO A 7 72.885 9.019 4.163 1.00 0.66 H new ATOM 0 HG2 PRO A 7 70.703 6.963 3.977 1.00 0.58 H new ATOM 0 HG3 PRO A 7 71.656 7.669 2.687 1.00 0.58 H new ATOM 0 HD2 PRO A 7 72.066 5.081 3.823 1.00 0.52 H new ATOM 0 HD3 PRO A 7 73.178 5.906 2.748 1.00 0.52 H new ATOM 94 N PRO A 8 72.232 8.029 7.724 1.00 0.65 N ATOM 95 CA PRO A 8 71.516 7.808 8.991 1.00 0.64 C ATOM 96 C PRO A 8 70.043 7.525 8.696 1.00 0.53 C ATOM 97 O PRO A 8 69.571 7.756 7.601 1.00 0.52 O ATOM 98 CB PRO A 8 71.707 9.123 9.754 1.00 0.77 C ATOM 99 CG PRO A 8 72.037 10.196 8.692 1.00 0.82 C ATOM 100 CD PRO A 8 72.593 9.441 7.469 1.00 0.78 C ATOM 0 HA PRO A 8 71.881 6.957 9.566 1.00 0.64 H new ATOM 0 HB2 PRO A 8 70.805 9.387 10.306 1.00 0.77 H new ATOM 0 HB3 PRO A 8 72.513 9.036 10.483 1.00 0.77 H new ATOM 0 HG2 PRO A 8 71.146 10.765 8.425 1.00 0.82 H new ATOM 0 HG3 PRO A 8 72.768 10.909 9.074 1.00 0.82 H new ATOM 0 HD2 PRO A 8 72.151 9.804 6.541 1.00 0.78 H new ATOM 0 HD3 PRO A 8 73.672 9.567 7.379 1.00 0.78 H new ATOM 108 N THR A 9 69.315 7.002 9.642 1.00 0.49 N ATOM 109 CA THR A 9 67.888 6.687 9.364 1.00 0.41 C ATOM 110 C THR A 9 67.001 7.039 10.561 1.00 0.60 C ATOM 111 O THR A 9 67.485 7.310 11.642 1.00 0.82 O ATOM 112 CB THR A 9 67.757 5.193 9.077 1.00 0.30 C ATOM 113 OG1 THR A 9 68.942 4.528 9.491 1.00 0.41 O ATOM 114 CG2 THR A 9 67.544 4.979 7.583 1.00 0.31 C ATOM 0 H THR A 9 69.641 6.782 10.583 1.00 0.49 H new ATOM 0 HA THR A 9 67.565 7.277 8.506 1.00 0.41 H new ATOM 0 HB THR A 9 66.905 4.789 9.624 1.00 0.30 H new ATOM 0 HG1 THR A 9 69.142 3.799 8.868 1.00 0.41 H new ATOM 0 HG21 THR A 9 67.450 3.913 7.378 1.00 0.31 H new ATOM 0 HG22 THR A 9 66.634 5.490 7.268 1.00 0.31 H new ATOM 0 HG23 THR A 9 68.395 5.381 7.033 1.00 0.31 H new ATOM 122 N PRO A 10 65.713 7.006 10.315 1.00 0.58 N ATOM 123 CA PRO A 10 64.687 7.296 11.330 1.00 0.80 C ATOM 124 C PRO A 10 64.471 6.085 12.242 1.00 0.96 C ATOM 125 O PRO A 10 64.658 4.952 11.844 1.00 1.30 O ATOM 126 CB PRO A 10 63.432 7.583 10.497 1.00 0.75 C ATOM 127 CG PRO A 10 63.650 6.915 9.123 1.00 0.57 C ATOM 128 CD PRO A 10 65.163 6.679 8.983 1.00 0.48 C ATOM 0 HA PRO A 10 64.958 8.122 11.987 1.00 0.80 H new ATOM 0 HB2 PRO A 10 62.543 7.183 10.985 1.00 0.75 H new ATOM 0 HB3 PRO A 10 63.278 8.656 10.386 1.00 0.75 H new ATOM 0 HG2 PRO A 10 63.104 5.974 9.059 1.00 0.57 H new ATOM 0 HG3 PRO A 10 63.282 7.553 8.320 1.00 0.57 H new ATOM 0 HD2 PRO A 10 65.380 5.647 8.706 1.00 0.48 H new ATOM 0 HD3 PRO A 10 65.594 7.314 8.209 1.00 0.48 H new ATOM 136 N GLU A 11 64.077 6.320 13.462 1.00 1.44 N ATOM 137 CA GLU A 11 63.847 5.191 14.406 1.00 1.67 C ATOM 138 C GLU A 11 62.344 5.052 14.667 1.00 2.00 C ATOM 139 O GLU A 11 61.826 5.534 15.654 1.00 2.38 O ATOM 140 CB GLU A 11 64.582 5.480 15.717 1.00 1.97 C ATOM 141 CG GLU A 11 64.183 4.453 16.778 1.00 2.77 C ATOM 142 CD GLU A 11 64.773 4.870 18.126 1.00 3.20 C ATOM 143 OE1 GLU A 11 64.831 6.061 18.381 1.00 3.68 O ATOM 144 OE2 GLU A 11 65.160 3.991 18.878 1.00 3.57 O ATOM 0 H GLU A 11 63.904 7.248 13.847 1.00 1.44 H new ATOM 0 HA GLU A 11 64.223 4.261 13.979 1.00 1.67 H new ATOM 0 HB2 GLU A 11 65.659 5.447 15.554 1.00 1.97 H new ATOM 0 HB3 GLU A 11 64.342 6.485 16.064 1.00 1.97 H new ATOM 0 HG2 GLU A 11 63.097 4.387 16.847 1.00 2.77 H new ATOM 0 HG3 GLU A 11 64.546 3.464 16.499 1.00 2.77 H new ATOM 151 N ASP A 12 61.642 4.400 13.781 1.00 2.56 N ATOM 152 CA ASP A 12 60.174 4.228 13.966 1.00 3.14 C ATOM 153 C ASP A 12 59.808 2.751 13.808 1.00 3.64 C ATOM 154 O ASP A 12 58.668 2.363 13.973 1.00 4.02 O ATOM 155 CB ASP A 12 59.431 5.056 12.916 1.00 3.87 C ATOM 156 CG ASP A 12 58.812 6.286 13.581 1.00 4.53 C ATOM 157 OD1 ASP A 12 57.830 6.124 14.286 1.00 4.98 O ATOM 158 OD2 ASP A 12 59.333 7.371 13.376 1.00 5.01 O ATOM 0 H ASP A 12 62.024 3.978 12.934 1.00 2.56 H new ATOM 0 HA ASP A 12 59.890 4.565 14.963 1.00 3.14 H new ATOM 0 HB2 ASP A 12 60.118 5.363 12.127 1.00 3.87 H new ATOM 0 HB3 ASP A 12 58.654 4.454 12.446 1.00 3.87 H new ATOM 163 N ASN A 13 60.766 1.920 13.495 1.00 4.08 N ATOM 164 CA ASN A 13 60.470 0.471 13.335 1.00 4.81 C ATOM 165 C ASN A 13 59.747 -0.027 14.587 1.00 4.88 C ATOM 166 O ASN A 13 60.108 0.313 15.696 1.00 4.94 O ATOM 167 CB ASN A 13 61.780 -0.302 13.154 1.00 5.46 C ATOM 168 CG ASN A 13 62.527 -0.366 14.488 1.00 6.12 C ATOM 169 OD1 ASN A 13 62.593 -1.407 15.111 1.00 6.39 O ATOM 170 ND2 ASN A 13 63.096 0.711 14.956 1.00 6.72 N ATOM 0 H ASN A 13 61.740 2.184 13.344 1.00 4.08 H new ATOM 0 HA ASN A 13 59.840 0.315 12.459 1.00 4.81 H new ATOM 0 HB2 ASN A 13 61.573 -1.309 12.793 1.00 5.46 H new ATOM 0 HB3 ASN A 13 62.400 0.185 12.401 1.00 5.46 H new ATOM 0 HD21 ASN A 13 63.596 0.679 15.844 1.00 6.72 H new ATOM 0 HD22 ASN A 13 63.041 1.585 14.433 1.00 6.72 H new ATOM 177 N ARG A 14 58.728 -0.821 14.425 1.00 5.18 N ATOM 178 CA ARG A 14 57.989 -1.323 15.616 1.00 5.41 C ATOM 179 C ARG A 14 57.402 -2.701 15.314 1.00 5.89 C ATOM 180 O ARG A 14 57.860 -3.706 15.822 1.00 6.44 O ATOM 181 CB ARG A 14 56.860 -0.348 15.958 1.00 5.30 C ATOM 182 CG ARG A 14 56.406 -0.574 17.400 1.00 5.55 C ATOM 183 CD ARG A 14 55.344 0.464 17.769 1.00 6.23 C ATOM 184 NE ARG A 14 54.143 -0.229 18.316 1.00 6.58 N ATOM 185 CZ ARG A 14 53.018 0.419 18.458 1.00 7.27 C ATOM 186 NH1 ARG A 14 52.937 1.678 18.119 1.00 7.67 N ATOM 187 NH2 ARG A 14 51.971 -0.193 18.939 1.00 7.73 N ATOM 0 H ARG A 14 58.375 -1.144 13.524 1.00 5.18 H new ATOM 0 HA ARG A 14 58.672 -1.402 16.462 1.00 5.41 H new ATOM 0 HB2 ARG A 14 57.202 0.679 15.831 1.00 5.30 H new ATOM 0 HB3 ARG A 14 56.022 -0.492 15.276 1.00 5.30 H new ATOM 0 HG2 ARG A 14 56.001 -1.580 17.512 1.00 5.55 H new ATOM 0 HG3 ARG A 14 57.257 -0.496 18.077 1.00 5.55 H new ATOM 0 HD2 ARG A 14 55.742 1.162 18.506 1.00 6.23 H new ATOM 0 HD3 ARG A 14 55.071 1.049 16.891 1.00 6.23 H new ATOM 0 HE ARG A 14 54.200 -1.213 18.580 1.00 6.58 H new ATOM 0 HH11 ARG A 14 53.754 2.158 17.742 1.00 7.67 H new ATOM 0 HH12 ARG A 14 52.057 2.181 18.231 1.00 7.67 H new ATOM 0 HH21 ARG A 14 52.032 -1.176 19.204 1.00 7.73 H new ATOM 0 HH22 ARG A 14 51.092 0.312 19.051 1.00 7.73 H new ATOM 201 N ARG A 15 56.390 -2.759 14.495 1.00 5.93 N ATOM 202 CA ARG A 15 55.775 -4.075 14.168 1.00 6.52 C ATOM 203 C ARG A 15 55.696 -4.240 12.649 1.00 6.84 C ATOM 204 O ARG A 15 56.353 -3.541 11.902 1.00 7.09 O ATOM 205 CB ARG A 15 54.361 -4.152 14.760 1.00 6.72 C ATOM 206 CG ARG A 15 54.236 -3.192 15.948 1.00 7.28 C ATOM 207 CD ARG A 15 53.637 -1.867 15.471 1.00 7.81 C ATOM 208 NE ARG A 15 52.307 -2.119 14.846 1.00 8.47 N ATOM 209 CZ ARG A 15 51.247 -2.277 15.594 1.00 9.04 C ATOM 210 NH1 ARG A 15 51.345 -2.225 16.895 1.00 9.07 N ATOM 211 NH2 ARG A 15 50.086 -2.492 15.038 1.00 9.78 N ATOM 0 H ARG A 15 55.962 -1.953 14.038 1.00 5.93 H new ATOM 0 HA ARG A 15 56.388 -4.870 14.592 1.00 6.52 H new ATOM 0 HB2 ARG A 15 53.625 -3.898 13.998 1.00 6.72 H new ATOM 0 HB3 ARG A 15 54.148 -5.171 15.082 1.00 6.72 H new ATOM 0 HG2 ARG A 15 53.605 -3.632 16.720 1.00 7.28 H new ATOM 0 HG3 ARG A 15 55.215 -3.021 16.396 1.00 7.28 H new ATOM 0 HD2 ARG A 15 53.532 -1.180 16.311 1.00 7.81 H new ATOM 0 HD3 ARG A 15 54.304 -1.392 14.752 1.00 7.81 H new ATOM 0 HE ARG A 15 52.224 -2.168 13.831 1.00 8.47 H new ATOM 0 HH11 ARG A 15 52.252 -2.060 17.332 1.00 9.07 H new ATOM 0 HH12 ARG A 15 50.515 -2.349 17.474 1.00 9.07 H new ATOM 0 HH21 ARG A 15 50.007 -2.536 14.022 1.00 9.78 H new ATOM 0 HH22 ARG A 15 49.257 -2.616 15.619 1.00 9.78 H new ATOM 225 N SER A 16 54.896 -5.162 12.189 1.00 7.05 N ATOM 226 CA SER A 16 54.770 -5.380 10.721 1.00 7.49 C ATOM 227 C SER A 16 53.487 -4.711 10.216 1.00 7.33 C ATOM 228 O SER A 16 53.105 -3.657 10.682 1.00 7.32 O ATOM 229 CB SER A 16 54.715 -6.882 10.438 1.00 7.83 C ATOM 230 OG SER A 16 55.800 -7.523 11.097 1.00 8.35 O ATOM 0 H SER A 16 54.323 -5.775 12.768 1.00 7.05 H new ATOM 0 HA SER A 16 55.628 -4.946 10.208 1.00 7.49 H new ATOM 0 HB2 SER A 16 53.768 -7.295 10.785 1.00 7.83 H new ATOM 0 HB3 SER A 16 54.767 -7.064 9.365 1.00 7.83 H new ATOM 0 HG SER A 16 55.605 -8.478 11.196 1.00 8.35 H new ATOM 236 N PHE A 17 52.820 -5.311 9.265 1.00 7.47 N ATOM 237 CA PHE A 17 51.567 -4.698 8.739 1.00 7.51 C ATOM 238 C PHE A 17 50.717 -5.771 8.056 1.00 7.25 C ATOM 239 O PHE A 17 49.753 -6.261 8.611 1.00 7.37 O ATOM 240 CB PHE A 17 51.921 -3.609 7.724 1.00 8.09 C ATOM 241 CG PHE A 17 52.696 -2.513 8.413 1.00 8.81 C ATOM 242 CD1 PHE A 17 52.019 -1.533 9.148 1.00 9.09 C ATOM 243 CD2 PHE A 17 54.093 -2.477 8.319 1.00 9.46 C ATOM 244 CE1 PHE A 17 52.737 -0.517 9.788 1.00 9.97 C ATOM 245 CE2 PHE A 17 54.811 -1.461 8.959 1.00 10.32 C ATOM 246 CZ PHE A 17 54.134 -0.480 9.694 1.00 10.55 C ATOM 0 H PHE A 17 53.088 -6.195 8.832 1.00 7.47 H new ATOM 0 HA PHE A 17 51.004 -4.261 9.564 1.00 7.51 H new ATOM 0 HB2 PHE A 17 52.512 -4.032 6.912 1.00 8.09 H new ATOM 0 HB3 PHE A 17 51.013 -3.203 7.279 1.00 8.09 H new ATOM 0 HD1 PHE A 17 50.942 -1.561 9.221 1.00 9.09 H new ATOM 0 HD2 PHE A 17 54.616 -3.233 7.753 1.00 9.46 H new ATOM 0 HE1 PHE A 17 52.214 0.239 10.355 1.00 9.97 H new ATOM 0 HE2 PHE A 17 55.888 -1.433 8.886 1.00 10.32 H new ATOM 0 HZ PHE A 17 54.688 0.304 10.188 1.00 10.55 H new ATOM 256 N GLN A 18 51.065 -6.135 6.854 1.00 7.13 N ATOM 257 CA GLN A 18 50.279 -7.173 6.130 1.00 7.02 C ATOM 258 C GLN A 18 51.240 -8.232 5.564 1.00 6.95 C ATOM 259 O GLN A 18 51.709 -9.080 6.294 1.00 7.05 O ATOM 260 CB GLN A 18 49.485 -6.502 5.004 1.00 7.29 C ATOM 261 CG GLN A 18 50.320 -5.380 4.380 1.00 7.98 C ATOM 262 CD GLN A 18 49.844 -4.027 4.915 1.00 8.66 C ATOM 263 OE1 GLN A 18 50.646 -3.174 5.239 1.00 8.97 O ATOM 264 NE2 GLN A 18 48.565 -3.790 5.018 1.00 9.12 N ATOM 0 H GLN A 18 51.861 -5.758 6.340 1.00 7.13 H new ATOM 0 HA GLN A 18 49.581 -7.664 6.809 1.00 7.02 H new ATOM 0 HB2 GLN A 18 49.221 -7.237 4.244 1.00 7.29 H new ATOM 0 HB3 GLN A 18 48.551 -6.099 5.395 1.00 7.29 H new ATOM 0 HG2 GLN A 18 51.375 -5.524 4.614 1.00 7.98 H new ATOM 0 HG3 GLN A 18 50.228 -5.406 3.294 1.00 7.98 H new ATOM 0 HE21 GLN A 18 47.890 -4.505 4.746 1.00 9.12 H new ATOM 0 HE22 GLN A 18 48.240 -2.890 5.370 1.00 9.12 H new ATOM 273 N GLU A 19 51.537 -8.171 4.278 1.00 7.04 N ATOM 274 CA GLU A 19 52.485 -9.147 3.631 1.00 7.12 C ATOM 275 C GLU A 19 51.784 -10.287 2.840 1.00 6.66 C ATOM 276 O GLU A 19 52.472 -11.180 2.385 1.00 6.67 O ATOM 277 CB GLU A 19 53.406 -9.780 4.678 1.00 7.46 C ATOM 278 CG GLU A 19 54.555 -10.507 3.975 1.00 8.15 C ATOM 279 CD GLU A 19 54.476 -12.004 4.282 1.00 8.78 C ATOM 280 OE1 GLU A 19 54.703 -12.366 5.425 1.00 9.21 O ATOM 281 OE2 GLU A 19 54.190 -12.762 3.370 1.00 9.03 O ATOM 0 H GLU A 19 51.155 -7.473 3.640 1.00 7.04 H new ATOM 0 HA GLU A 19 53.053 -8.555 2.914 1.00 7.12 H new ATOM 0 HB2 GLU A 19 53.801 -9.012 5.343 1.00 7.46 H new ATOM 0 HB3 GLU A 19 52.844 -10.479 5.297 1.00 7.46 H new ATOM 0 HG2 GLU A 19 54.499 -10.342 2.899 1.00 8.15 H new ATOM 0 HG3 GLU A 19 55.512 -10.106 4.310 1.00 8.15 H new ATOM 288 N PRO A 20 50.474 -10.261 2.658 1.00 6.52 N ATOM 289 CA PRO A 20 49.795 -11.323 1.890 1.00 6.28 C ATOM 290 C PRO A 20 50.005 -11.091 0.391 1.00 5.89 C ATOM 291 O PRO A 20 49.738 -11.949 -0.427 1.00 6.16 O ATOM 292 CB PRO A 20 48.320 -11.161 2.259 1.00 6.60 C ATOM 293 CG PRO A 20 48.156 -9.704 2.740 1.00 6.91 C ATOM 294 CD PRO A 20 49.554 -9.227 3.173 1.00 6.88 C ATOM 0 HA PRO A 20 50.171 -12.322 2.112 1.00 6.28 H new ATOM 0 HB2 PRO A 20 47.679 -11.362 1.400 1.00 6.60 H new ATOM 0 HB3 PRO A 20 48.035 -11.864 3.042 1.00 6.60 H new ATOM 0 HG2 PRO A 20 47.761 -9.074 1.943 1.00 6.91 H new ATOM 0 HG3 PRO A 20 47.452 -9.646 3.570 1.00 6.91 H new ATOM 0 HD2 PRO A 20 49.786 -8.247 2.756 1.00 6.88 H new ATOM 0 HD3 PRO A 20 49.625 -9.137 4.257 1.00 6.88 H new ATOM 302 N GLU A 21 50.479 -9.929 0.028 1.00 5.51 N ATOM 303 CA GLU A 21 50.705 -9.628 -1.414 1.00 5.24 C ATOM 304 C GLU A 21 51.661 -10.662 -2.012 1.00 4.46 C ATOM 305 O GLU A 21 52.209 -11.492 -1.315 1.00 4.58 O ATOM 306 CB GLU A 21 51.315 -8.231 -1.553 1.00 5.85 C ATOM 307 CG GLU A 21 51.111 -7.728 -2.984 1.00 6.67 C ATOM 308 CD GLU A 21 50.606 -6.284 -2.951 1.00 7.60 C ATOM 309 OE1 GLU A 21 50.662 -5.681 -1.892 1.00 8.09 O ATOM 310 OE2 GLU A 21 50.170 -5.807 -3.986 1.00 8.03 O ATOM 0 H GLU A 21 50.720 -9.174 0.670 1.00 5.51 H new ATOM 0 HA GLU A 21 49.753 -9.666 -1.944 1.00 5.24 H new ATOM 0 HB2 GLU A 21 50.848 -7.546 -0.845 1.00 5.85 H new ATOM 0 HB3 GLU A 21 52.378 -8.261 -1.314 1.00 5.85 H new ATOM 0 HG2 GLU A 21 52.048 -7.784 -3.537 1.00 6.67 H new ATOM 0 HG3 GLU A 21 50.395 -8.363 -3.505 1.00 6.67 H new ATOM 317 N GLU A 22 51.864 -10.616 -3.300 1.00 3.97 N ATOM 318 CA GLU A 22 52.784 -11.594 -3.944 1.00 3.51 C ATOM 319 C GLU A 22 54.225 -11.089 -3.833 1.00 2.46 C ATOM 320 O GLU A 22 54.909 -11.345 -2.863 1.00 2.80 O ATOM 321 CB GLU A 22 52.408 -11.753 -5.418 1.00 3.86 C ATOM 322 CG GLU A 22 53.494 -12.555 -6.138 1.00 4.58 C ATOM 323 CD GLU A 22 52.893 -13.249 -7.361 1.00 4.87 C ATOM 324 OE1 GLU A 22 51.992 -14.052 -7.179 1.00 5.26 O ATOM 325 OE2 GLU A 22 53.343 -12.965 -8.459 1.00 4.99 O ATOM 0 H GLU A 22 51.432 -9.943 -3.934 1.00 3.97 H new ATOM 0 HA GLU A 22 52.699 -12.558 -3.443 1.00 3.51 H new ATOM 0 HB2 GLU A 22 51.447 -12.260 -5.507 1.00 3.86 H new ATOM 0 HB3 GLU A 22 52.295 -10.774 -5.883 1.00 3.86 H new ATOM 0 HG2 GLU A 22 54.305 -11.895 -6.444 1.00 4.58 H new ATOM 0 HG3 GLU A 22 53.923 -13.294 -5.462 1.00 4.58 H new ATOM 332 N THR A 23 54.691 -10.373 -4.820 1.00 1.72 N ATOM 333 CA THR A 23 56.085 -9.853 -4.771 1.00 1.29 C ATOM 334 C THR A 23 56.099 -8.475 -4.109 1.00 1.20 C ATOM 335 O THR A 23 57.061 -8.090 -3.473 1.00 1.81 O ATOM 336 CB THR A 23 56.629 -9.741 -6.186 1.00 1.88 C ATOM 337 OG1 THR A 23 56.174 -10.843 -6.958 1.00 2.73 O ATOM 338 CG2 THR A 23 58.158 -9.729 -6.153 1.00 2.57 C ATOM 0 H THR A 23 54.165 -10.126 -5.658 1.00 1.72 H new ATOM 0 HA THR A 23 56.706 -10.536 -4.192 1.00 1.29 H new ATOM 0 HB THR A 23 56.275 -8.814 -6.636 1.00 1.88 H new ATOM 0 HG1 THR A 23 56.523 -10.770 -7.871 1.00 2.73 H new ATOM 0 HG21 THR A 23 58.543 -9.649 -7.169 1.00 2.57 H new ATOM 0 HG22 THR A 23 58.503 -8.878 -5.566 1.00 2.57 H new ATOM 0 HG23 THR A 23 58.519 -10.652 -5.700 1.00 2.57 H new ATOM 346 N LEU A 24 55.040 -7.727 -4.256 1.00 0.86 N ATOM 347 CA LEU A 24 54.991 -6.371 -3.639 1.00 0.76 C ATOM 348 C LEU A 24 55.000 -6.500 -2.114 1.00 0.68 C ATOM 349 O LEU A 24 54.547 -7.483 -1.564 1.00 0.87 O ATOM 350 CB LEU A 24 53.711 -5.659 -4.081 1.00 0.80 C ATOM 351 CG LEU A 24 53.851 -4.157 -3.837 1.00 0.79 C ATOM 352 CD1 LEU A 24 54.404 -3.484 -5.094 1.00 0.66 C ATOM 353 CD2 LEU A 24 52.478 -3.567 -3.505 1.00 1.01 C ATOM 0 H LEU A 24 54.206 -7.996 -4.777 1.00 0.86 H new ATOM 0 HA LEU A 24 55.860 -5.795 -3.959 1.00 0.76 H new ATOM 0 HB2 LEU A 24 53.522 -5.850 -5.137 1.00 0.80 H new ATOM 0 HB3 LEU A 24 52.856 -6.049 -3.529 1.00 0.80 H new ATOM 0 HG LEU A 24 54.533 -3.986 -3.005 1.00 0.79 H new ATOM 0 HD11 LEU A 24 54.504 -2.413 -4.919 1.00 0.66 H new ATOM 0 HD12 LEU A 24 55.381 -3.905 -5.332 1.00 0.66 H new ATOM 0 HD13 LEU A 24 53.722 -3.654 -5.927 1.00 0.66 H new ATOM 0 HD21 LEU A 24 52.575 -2.495 -3.330 1.00 1.01 H new ATOM 0 HD22 LEU A 24 51.797 -3.739 -4.339 1.00 1.01 H new ATOM 0 HD23 LEU A 24 52.083 -4.046 -2.609 1.00 1.01 H new ATOM 365 N VAL A 25 55.512 -5.514 -1.424 1.00 0.49 N ATOM 366 CA VAL A 25 55.543 -5.593 0.065 1.00 0.46 C ATOM 367 C VAL A 25 55.186 -4.223 0.669 1.00 0.44 C ATOM 368 O VAL A 25 54.084 -3.741 0.499 1.00 0.77 O ATOM 369 CB VAL A 25 56.935 -6.038 0.522 1.00 0.47 C ATOM 370 CG1 VAL A 25 57.081 -7.546 0.310 1.00 0.79 C ATOM 371 CG2 VAL A 25 58.000 -5.305 -0.298 1.00 0.74 C ATOM 0 H VAL A 25 55.907 -4.663 -1.825 1.00 0.49 H new ATOM 0 HA VAL A 25 54.809 -6.322 0.409 1.00 0.46 H new ATOM 0 HB VAL A 25 57.063 -5.803 1.579 1.00 0.47 H new ATOM 0 HG11 VAL A 25 58.071 -7.865 0.635 1.00 0.79 H new ATOM 0 HG12 VAL A 25 56.322 -8.070 0.891 1.00 0.79 H new ATOM 0 HG13 VAL A 25 56.953 -7.779 -0.747 1.00 0.79 H new ATOM 0 HG21 VAL A 25 58.991 -5.621 0.027 1.00 0.74 H new ATOM 0 HG22 VAL A 25 57.872 -5.541 -1.354 1.00 0.74 H new ATOM 0 HG23 VAL A 25 57.896 -4.230 -0.151 1.00 0.74 H new ATOM 381 N ILE A 26 56.093 -3.589 1.375 1.00 0.50 N ATOM 382 CA ILE A 26 55.773 -2.269 1.977 1.00 0.47 C ATOM 383 C ILE A 26 57.059 -1.518 2.312 1.00 0.41 C ATOM 384 O ILE A 26 57.427 -0.572 1.644 1.00 0.44 O ATOM 385 CB ILE A 26 54.955 -2.458 3.262 1.00 0.52 C ATOM 386 CG1 ILE A 26 55.135 -3.883 3.798 1.00 0.85 C ATOM 387 CG2 ILE A 26 53.474 -2.210 2.972 1.00 0.91 C ATOM 388 CD1 ILE A 26 54.878 -3.899 5.307 1.00 1.07 C ATOM 0 H ILE A 26 57.036 -3.933 1.556 1.00 0.50 H new ATOM 0 HA ILE A 26 55.192 -1.694 1.256 1.00 0.47 H new ATOM 0 HB ILE A 26 55.306 -1.747 4.010 1.00 0.52 H new ATOM 0 HG12 ILE A 26 54.447 -4.562 3.294 1.00 0.85 H new ATOM 0 HG13 ILE A 26 56.144 -4.237 3.587 1.00 0.85 H new ATOM 0 HG21 ILE A 26 52.897 -2.345 3.887 1.00 0.91 H new ATOM 0 HG22 ILE A 26 53.340 -1.192 2.606 1.00 0.91 H new ATOM 0 HG23 ILE A 26 53.128 -2.916 2.217 1.00 0.91 H new ATOM 0 HD11 ILE A 26 55.006 -4.912 5.687 1.00 1.07 H new ATOM 0 HD12 ILE A 26 55.584 -3.233 5.803 1.00 1.07 H new ATOM 0 HD13 ILE A 26 53.861 -3.563 5.506 1.00 1.07 H new ATOM 400 N ALA A 27 57.735 -1.914 3.351 1.00 0.39 N ATOM 401 CA ALA A 27 58.982 -1.199 3.734 1.00 0.41 C ATOM 402 C ALA A 27 58.613 0.234 4.119 1.00 0.54 C ATOM 403 O ALA A 27 59.039 1.188 3.498 1.00 1.09 O ATOM 404 CB ALA A 27 59.949 -1.187 2.553 1.00 0.52 C ATOM 0 H ALA A 27 57.480 -2.699 3.950 1.00 0.39 H new ATOM 0 HA ALA A 27 59.463 -1.700 4.574 1.00 0.41 H new ATOM 0 HB1 ALA A 27 60.862 -0.663 2.836 1.00 0.52 H new ATOM 0 HB2 ALA A 27 60.191 -2.212 2.271 1.00 0.52 H new ATOM 0 HB3 ALA A 27 59.485 -0.678 1.708 1.00 0.52 H new ATOM 410 N LEU A 28 57.800 0.385 5.129 1.00 0.29 N ATOM 411 CA LEU A 28 57.366 1.745 5.556 1.00 0.32 C ATOM 412 C LEU A 28 58.551 2.532 6.118 1.00 0.29 C ATOM 413 O LEU A 28 58.856 2.464 7.292 1.00 0.37 O ATOM 414 CB LEU A 28 56.283 1.611 6.629 1.00 0.39 C ATOM 415 CG LEU A 28 54.897 1.712 5.982 1.00 0.67 C ATOM 416 CD1 LEU A 28 54.860 0.883 4.693 1.00 1.20 C ATOM 417 CD2 LEU A 28 53.842 1.180 6.955 1.00 1.53 C ATOM 0 H LEU A 28 57.415 -0.382 5.681 1.00 0.29 H new ATOM 0 HA LEU A 28 56.971 2.281 4.693 1.00 0.32 H new ATOM 0 HB2 LEU A 28 56.385 0.656 7.145 1.00 0.39 H new ATOM 0 HB3 LEU A 28 56.402 2.393 7.379 1.00 0.39 H new ATOM 0 HG LEU A 28 54.688 2.755 5.745 1.00 0.67 H new ATOM 0 HD11 LEU A 28 53.872 0.960 4.239 1.00 1.20 H new ATOM 0 HD12 LEU A 28 55.609 1.259 3.997 1.00 1.20 H new ATOM 0 HD13 LEU A 28 55.072 -0.161 4.925 1.00 1.20 H new ATOM 0 HD21 LEU A 28 52.856 1.251 6.497 1.00 1.53 H new ATOM 0 HD22 LEU A 28 54.058 0.138 7.192 1.00 1.53 H new ATOM 0 HD23 LEU A 28 53.860 1.771 7.870 1.00 1.53 H new ATOM 429 N TYR A 29 59.215 3.286 5.286 1.00 0.25 N ATOM 430 CA TYR A 29 60.376 4.087 5.765 1.00 0.24 C ATOM 431 C TYR A 29 60.516 5.352 4.911 1.00 0.27 C ATOM 432 O TYR A 29 60.375 5.316 3.705 1.00 0.32 O ATOM 433 CB TYR A 29 61.646 3.252 5.640 1.00 0.25 C ATOM 434 CG TYR A 29 62.221 2.979 7.009 1.00 0.27 C ATOM 435 CD1 TYR A 29 62.979 3.960 7.659 1.00 1.09 C ATOM 436 CD2 TYR A 29 62.010 1.738 7.622 1.00 1.10 C ATOM 437 CE1 TYR A 29 63.527 3.700 8.912 1.00 1.12 C ATOM 438 CE2 TYR A 29 62.562 1.478 8.882 1.00 1.11 C ATOM 439 CZ TYR A 29 63.324 2.459 9.526 1.00 0.43 C ATOM 440 OH TYR A 29 63.869 2.205 10.769 1.00 0.53 O ATOM 0 H TYR A 29 59.003 3.382 4.293 1.00 0.25 H new ATOM 0 HA TYR A 29 60.219 4.369 6.806 1.00 0.24 H new ATOM 0 HB2 TYR A 29 61.425 2.312 5.135 1.00 0.25 H new ATOM 0 HB3 TYR A 29 62.378 3.778 5.027 1.00 0.25 H new ATOM 0 HD1 TYR A 29 63.139 4.919 7.188 1.00 1.09 H new ATOM 0 HD2 TYR A 29 61.422 0.982 7.123 1.00 1.10 H new ATOM 0 HE1 TYR A 29 64.111 4.459 9.412 1.00 1.12 H new ATOM 0 HE2 TYR A 29 62.400 0.521 9.356 1.00 1.11 H new ATOM 0 HH TYR A 29 64.136 3.050 11.188 1.00 0.53 H new ATOM 450 N ASP A 30 60.799 6.470 5.526 1.00 0.29 N ATOM 451 CA ASP A 30 60.957 7.733 4.747 1.00 0.34 C ATOM 452 C ASP A 30 62.424 7.891 4.345 1.00 0.30 C ATOM 453 O ASP A 30 63.152 8.681 4.911 1.00 0.41 O ATOM 454 CB ASP A 30 60.532 8.925 5.608 1.00 0.40 C ATOM 455 CG ASP A 30 59.006 9.032 5.616 1.00 1.03 C ATOM 456 OD1 ASP A 30 58.468 9.609 4.687 1.00 1.79 O ATOM 457 OD2 ASP A 30 58.403 8.534 6.552 1.00 1.70 O ATOM 0 H ASP A 30 60.927 6.563 6.534 1.00 0.29 H new ATOM 0 HA ASP A 30 60.332 7.694 3.855 1.00 0.34 H new ATOM 0 HB2 ASP A 30 60.904 8.803 6.625 1.00 0.40 H new ATOM 0 HB3 ASP A 30 60.969 9.844 5.217 1.00 0.40 H new ATOM 462 N TYR A 31 62.864 7.137 3.375 1.00 0.32 N ATOM 463 CA TYR A 31 64.287 7.226 2.939 1.00 0.30 C ATOM 464 C TYR A 31 64.485 8.455 2.048 1.00 0.31 C ATOM 465 O TYR A 31 63.694 8.736 1.168 1.00 0.39 O ATOM 466 CB TYR A 31 64.652 5.949 2.177 1.00 0.31 C ATOM 467 CG TYR A 31 65.919 6.163 1.383 1.00 0.31 C ATOM 468 CD1 TYR A 31 66.983 6.867 1.950 1.00 1.24 C ATOM 469 CD2 TYR A 31 66.031 5.651 0.085 1.00 1.12 C ATOM 470 CE1 TYR A 31 68.160 7.062 1.225 1.00 1.26 C ATOM 471 CE2 TYR A 31 67.209 5.847 -0.644 1.00 1.11 C ATOM 472 CZ TYR A 31 68.275 6.553 -0.073 1.00 0.34 C ATOM 473 OH TYR A 31 69.441 6.742 -0.787 1.00 0.36 O ATOM 0 H TYR A 31 62.297 6.461 2.864 1.00 0.32 H new ATOM 0 HA TYR A 31 64.936 7.326 3.809 1.00 0.30 H new ATOM 0 HB2 TYR A 31 64.787 5.124 2.877 1.00 0.31 H new ATOM 0 HB3 TYR A 31 63.838 5.670 1.509 1.00 0.31 H new ATOM 0 HD1 TYR A 31 66.895 7.262 2.952 1.00 1.24 H new ATOM 0 HD2 TYR A 31 65.209 5.105 -0.353 1.00 1.12 H new ATOM 0 HE1 TYR A 31 68.982 7.606 1.666 1.00 1.26 H new ATOM 0 HE2 TYR A 31 67.296 5.454 -1.646 1.00 1.11 H new ATOM 0 HH TYR A 31 69.409 7.610 -1.241 1.00 0.36 H new ATOM 483 N GLN A 32 65.540 9.190 2.280 1.00 0.31 N ATOM 484 CA GLN A 32 65.810 10.407 1.466 1.00 0.34 C ATOM 485 C GLN A 32 66.665 10.033 0.255 1.00 0.46 C ATOM 486 O GLN A 32 67.716 9.439 0.385 1.00 1.26 O ATOM 487 CB GLN A 32 66.568 11.422 2.322 1.00 0.40 C ATOM 488 CG GLN A 32 65.834 11.618 3.648 1.00 1.13 C ATOM 489 CD GLN A 32 66.171 12.997 4.217 1.00 1.83 C ATOM 490 OE1 GLN A 32 65.781 14.007 3.666 1.00 2.30 O ATOM 491 NE2 GLN A 32 66.885 13.082 5.305 1.00 2.57 N ATOM 0 H GLN A 32 66.231 8.996 3.005 1.00 0.31 H new ATOM 0 HA GLN A 32 64.867 10.837 1.127 1.00 0.34 H new ATOM 0 HB2 GLN A 32 67.584 11.073 2.505 1.00 0.40 H new ATOM 0 HB3 GLN A 32 66.647 12.372 1.794 1.00 0.40 H new ATOM 0 HG2 GLN A 32 64.758 11.528 3.497 1.00 1.13 H new ATOM 0 HG3 GLN A 32 66.123 10.840 4.355 1.00 1.13 H new ATOM 0 HE21 GLN A 32 67.212 12.234 5.768 1.00 2.57 H new ATOM 0 HE22 GLN A 32 67.116 13.996 5.693 1.00 2.57 H new ATOM 500 N THR A 33 66.227 10.378 -0.923 1.00 0.55 N ATOM 501 CA THR A 33 67.019 10.039 -2.136 1.00 0.42 C ATOM 502 C THR A 33 66.471 10.812 -3.344 1.00 0.52 C ATOM 503 O THR A 33 65.276 10.938 -3.526 1.00 0.70 O ATOM 504 CB THR A 33 66.967 8.510 -2.354 1.00 0.33 C ATOM 505 OG1 THR A 33 68.288 7.994 -2.353 1.00 0.57 O ATOM 506 CG2 THR A 33 66.293 8.157 -3.684 1.00 0.49 C ATOM 0 H THR A 33 65.356 10.879 -1.098 1.00 0.55 H new ATOM 0 HA THR A 33 68.062 10.331 -2.009 1.00 0.42 H new ATOM 0 HB THR A 33 66.383 8.070 -1.546 1.00 0.33 H new ATOM 0 HG1 THR A 33 68.276 7.065 -2.042 1.00 0.57 H new ATOM 0 HG21 THR A 33 66.273 7.074 -3.806 1.00 0.49 H new ATOM 0 HG22 THR A 33 65.273 8.541 -3.688 1.00 0.49 H new ATOM 0 HG23 THR A 33 66.853 8.604 -4.506 1.00 0.49 H new ATOM 514 N ASN A 34 67.343 11.332 -4.168 1.00 0.65 N ATOM 515 CA ASN A 34 66.883 12.100 -5.360 1.00 0.83 C ATOM 516 C ASN A 34 67.386 11.419 -6.635 1.00 0.71 C ATOM 517 O ASN A 34 66.826 11.589 -7.700 1.00 0.94 O ATOM 518 CB ASN A 34 67.438 13.525 -5.294 1.00 1.19 C ATOM 519 CG ASN A 34 66.329 14.522 -5.630 1.00 1.81 C ATOM 520 OD1 ASN A 34 65.513 14.274 -6.495 1.00 2.34 O ATOM 521 ND2 ASN A 34 66.265 15.651 -4.978 1.00 2.61 N ATOM 0 H ASN A 34 68.355 11.257 -4.066 1.00 0.65 H new ATOM 0 HA ASN A 34 65.794 12.132 -5.371 1.00 0.83 H new ATOM 0 HB2 ASN A 34 67.833 13.727 -4.298 1.00 1.19 H new ATOM 0 HB3 ASN A 34 68.266 13.637 -5.994 1.00 1.19 H new ATOM 0 HD21 ASN A 34 65.530 16.324 -5.195 1.00 2.61 H new ATOM 0 HD22 ASN A 34 66.950 15.860 -4.252 1.00 2.61 H new ATOM 528 N ASP A 35 68.438 10.650 -6.538 1.00 0.84 N ATOM 529 CA ASP A 35 68.971 9.963 -7.749 1.00 0.81 C ATOM 530 C ASP A 35 67.803 9.373 -8.549 1.00 0.71 C ATOM 531 O ASP A 35 66.976 8.670 -7.999 1.00 0.71 O ATOM 532 CB ASP A 35 69.917 8.839 -7.323 1.00 0.84 C ATOM 533 CG ASP A 35 71.252 8.991 -8.055 1.00 1.07 C ATOM 534 OD1 ASP A 35 71.789 10.087 -8.042 1.00 1.43 O ATOM 535 OD2 ASP A 35 71.713 8.012 -8.616 1.00 1.77 O ATOM 0 H ASP A 35 68.950 10.469 -5.674 1.00 0.84 H new ATOM 0 HA ASP A 35 69.514 10.678 -8.367 1.00 0.81 H new ATOM 0 HB2 ASP A 35 70.075 8.871 -6.245 1.00 0.84 H new ATOM 0 HB3 ASP A 35 69.473 7.870 -7.551 1.00 0.84 H new ATOM 540 N PRO A 36 67.767 9.671 -9.825 1.00 0.73 N ATOM 541 CA PRO A 36 66.698 9.186 -10.715 1.00 0.83 C ATOM 542 C PRO A 36 66.846 7.684 -10.953 1.00 0.80 C ATOM 543 O PRO A 36 66.015 7.058 -11.580 1.00 0.96 O ATOM 544 CB PRO A 36 66.898 9.995 -12.001 1.00 0.96 C ATOM 545 CG PRO A 36 68.362 10.488 -11.980 1.00 0.87 C ATOM 546 CD PRO A 36 68.794 10.491 -10.502 1.00 0.78 C ATOM 0 HA PRO A 36 65.697 9.318 -10.305 1.00 0.83 H new ATOM 0 HB2 PRO A 36 66.707 9.380 -12.881 1.00 0.96 H new ATOM 0 HB3 PRO A 36 66.205 10.835 -12.043 1.00 0.96 H new ATOM 0 HG2 PRO A 36 69.002 9.833 -12.571 1.00 0.87 H new ATOM 0 HG3 PRO A 36 68.443 11.486 -12.411 1.00 0.87 H new ATOM 0 HD2 PRO A 36 69.790 10.066 -10.377 1.00 0.78 H new ATOM 0 HD3 PRO A 36 68.826 11.503 -10.098 1.00 0.78 H new ATOM 554 N GLN A 37 67.889 7.097 -10.436 1.00 0.72 N ATOM 555 CA GLN A 37 68.080 5.634 -10.609 1.00 0.83 C ATOM 556 C GLN A 37 67.391 4.915 -9.449 1.00 0.78 C ATOM 557 O GLN A 37 66.867 3.829 -9.598 1.00 1.12 O ATOM 558 CB GLN A 37 69.576 5.308 -10.600 1.00 0.96 C ATOM 559 CG GLN A 37 69.910 4.400 -11.786 1.00 1.34 C ATOM 560 CD GLN A 37 71.344 3.884 -11.647 1.00 1.77 C ATOM 561 OE1 GLN A 37 71.607 2.989 -10.869 1.00 2.32 O ATOM 562 NE2 GLN A 37 72.291 4.415 -12.374 1.00 2.29 N ATOM 0 H GLN A 37 68.617 7.570 -9.901 1.00 0.72 H new ATOM 0 HA GLN A 37 67.652 5.309 -11.557 1.00 0.83 H new ATOM 0 HB2 GLN A 37 70.159 6.227 -10.657 1.00 0.96 H new ATOM 0 HB3 GLN A 37 69.846 4.817 -9.665 1.00 0.96 H new ATOM 0 HG2 GLN A 37 69.213 3.563 -11.824 1.00 1.34 H new ATOM 0 HG3 GLN A 37 69.799 4.950 -12.721 1.00 1.34 H new ATOM 0 HE21 GLN A 37 72.071 5.167 -13.028 1.00 2.29 H new ATOM 0 HE22 GLN A 37 73.250 4.078 -12.288 1.00 2.29 H new ATOM 571 N GLU A 38 67.384 5.522 -8.291 1.00 0.58 N ATOM 572 CA GLU A 38 66.727 4.887 -7.113 1.00 0.53 C ATOM 573 C GLU A 38 65.668 5.835 -6.556 1.00 0.50 C ATOM 574 O GLU A 38 65.946 6.640 -5.695 1.00 0.58 O ATOM 575 CB GLU A 38 67.761 4.606 -6.009 1.00 0.66 C ATOM 576 CG GLU A 38 69.146 5.114 -6.426 1.00 1.17 C ATOM 577 CD GLU A 38 70.149 4.844 -5.303 1.00 1.23 C ATOM 578 OE1 GLU A 38 70.064 5.512 -4.286 1.00 1.77 O ATOM 579 OE2 GLU A 38 70.986 3.974 -5.479 1.00 1.71 O ATOM 0 H GLU A 38 67.807 6.433 -8.111 1.00 0.58 H new ATOM 0 HA GLU A 38 66.272 3.949 -7.430 1.00 0.53 H new ATOM 0 HB2 GLU A 38 67.453 5.091 -5.083 1.00 0.66 H new ATOM 0 HB3 GLU A 38 67.805 3.536 -5.809 1.00 0.66 H new ATOM 0 HG2 GLU A 38 69.467 4.617 -7.341 1.00 1.17 H new ATOM 0 HG3 GLU A 38 69.104 6.182 -6.641 1.00 1.17 H new ATOM 586 N LEU A 39 64.455 5.748 -7.023 1.00 0.45 N ATOM 587 CA LEU A 39 63.400 6.650 -6.486 1.00 0.44 C ATOM 588 C LEU A 39 63.436 6.588 -4.956 1.00 0.41 C ATOM 589 O LEU A 39 63.469 5.521 -4.375 1.00 0.52 O ATOM 590 CB LEU A 39 62.029 6.189 -6.987 1.00 0.48 C ATOM 591 CG LEU A 39 61.572 7.089 -8.136 1.00 0.51 C ATOM 592 CD1 LEU A 39 61.792 6.366 -9.466 1.00 1.01 C ATOM 593 CD2 LEU A 39 60.085 7.409 -7.970 1.00 1.39 C ATOM 0 H LEU A 39 64.150 5.097 -7.747 1.00 0.45 H new ATOM 0 HA LEU A 39 63.576 7.672 -6.821 1.00 0.44 H new ATOM 0 HB2 LEU A 39 62.083 5.153 -7.323 1.00 0.48 H new ATOM 0 HB3 LEU A 39 61.303 6.223 -6.174 1.00 0.48 H new ATOM 0 HG LEU A 39 62.147 8.015 -8.125 1.00 0.51 H new ATOM 0 HD11 LEU A 39 61.467 7.006 -10.286 1.00 1.01 H new ATOM 0 HD12 LEU A 39 62.851 6.135 -9.584 1.00 1.01 H new ATOM 0 HD13 LEU A 39 61.215 5.441 -9.477 1.00 1.01 H new ATOM 0 HD21 LEU A 39 59.757 8.050 -8.788 1.00 1.39 H new ATOM 0 HD22 LEU A 39 59.510 6.483 -7.982 1.00 1.39 H new ATOM 0 HD23 LEU A 39 59.927 7.922 -7.021 1.00 1.39 H new ATOM 605 N ALA A 40 63.440 7.715 -4.295 1.00 0.35 N ATOM 606 CA ALA A 40 63.483 7.698 -2.804 1.00 0.33 C ATOM 607 C ALA A 40 62.360 6.807 -2.274 1.00 0.34 C ATOM 608 O ALA A 40 61.685 6.131 -3.025 1.00 0.40 O ATOM 609 CB ALA A 40 63.312 9.118 -2.263 1.00 0.34 C ATOM 0 H ALA A 40 63.415 8.642 -4.720 1.00 0.35 H new ATOM 0 HA ALA A 40 64.445 7.306 -2.475 1.00 0.33 H new ATOM 0 HB1 ALA A 40 63.344 9.099 -1.174 1.00 0.34 H new ATOM 0 HB2 ALA A 40 64.117 9.750 -2.639 1.00 0.34 H new ATOM 0 HB3 ALA A 40 62.353 9.519 -2.590 1.00 0.34 H new ATOM 615 N LEU A 41 62.155 6.787 -0.985 1.00 0.32 N ATOM 616 CA LEU A 41 61.079 5.922 -0.430 1.00 0.35 C ATOM 617 C LEU A 41 60.204 6.707 0.546 1.00 0.35 C ATOM 618 O LEU A 41 60.691 7.407 1.414 1.00 0.42 O ATOM 619 CB LEU A 41 61.707 4.744 0.304 1.00 0.40 C ATOM 620 CG LEU A 41 62.803 4.127 -0.565 1.00 0.42 C ATOM 621 CD1 LEU A 41 63.666 3.191 0.283 1.00 0.50 C ATOM 622 CD2 LEU A 41 62.161 3.333 -1.704 1.00 0.45 C ATOM 0 H LEU A 41 62.682 7.327 -0.299 1.00 0.32 H new ATOM 0 HA LEU A 41 60.459 5.567 -1.254 1.00 0.35 H new ATOM 0 HB2 LEU A 41 62.125 5.075 1.254 1.00 0.40 H new ATOM 0 HB3 LEU A 41 60.947 3.997 0.533 1.00 0.40 H new ATOM 0 HG LEU A 41 63.427 4.920 -0.977 1.00 0.42 H new ATOM 0 HD11 LEU A 41 64.446 2.753 -0.339 1.00 0.50 H new ATOM 0 HD12 LEU A 41 64.124 3.755 1.096 1.00 0.50 H new ATOM 0 HD13 LEU A 41 63.044 2.398 0.697 1.00 0.50 H new ATOM 0 HD21 LEU A 41 62.941 2.892 -2.325 1.00 0.45 H new ATOM 0 HD22 LEU A 41 61.537 2.542 -1.289 1.00 0.45 H new ATOM 0 HD23 LEU A 41 61.547 3.999 -2.311 1.00 0.45 H new ATOM 634 N ARG A 42 58.911 6.573 0.416 1.00 0.48 N ATOM 635 CA ARG A 42 57.981 7.290 1.332 1.00 0.53 C ATOM 636 C ARG A 42 57.702 6.422 2.560 1.00 0.63 C ATOM 637 O ARG A 42 58.212 6.668 3.634 1.00 1.55 O ATOM 638 CB ARG A 42 56.658 7.562 0.609 1.00 0.55 C ATOM 639 CG ARG A 42 56.217 8.998 0.879 1.00 1.17 C ATOM 640 CD ARG A 42 54.838 9.234 0.261 1.00 1.75 C ATOM 641 NE ARG A 42 54.507 10.687 0.316 1.00 2.45 N ATOM 642 CZ ARG A 42 55.020 11.511 -0.558 1.00 3.22 C ATOM 643 NH1 ARG A 42 55.832 11.069 -1.481 1.00 3.56 N ATOM 644 NH2 ARG A 42 54.721 12.780 -0.508 1.00 4.11 N ATOM 0 H ARG A 42 58.458 5.994 -0.290 1.00 0.48 H new ATOM 0 HA ARG A 42 58.436 8.232 1.639 1.00 0.53 H new ATOM 0 HB2 ARG A 42 56.777 7.402 -0.463 1.00 0.55 H new ATOM 0 HB3 ARG A 42 55.894 6.865 0.952 1.00 0.55 H new ATOM 0 HG2 ARG A 42 56.182 9.183 1.953 1.00 1.17 H new ATOM 0 HG3 ARG A 42 56.940 9.697 0.458 1.00 1.17 H new ATOM 0 HD2 ARG A 42 54.827 8.887 -0.772 1.00 1.75 H new ATOM 0 HD3 ARG A 42 54.084 8.658 0.798 1.00 1.75 H new ATOM 0 HE ARG A 42 53.878 11.038 1.038 1.00 2.45 H new ATOM 0 HH11 ARG A 42 56.067 10.077 -1.521 1.00 3.56 H new ATOM 0 HH12 ARG A 42 56.231 11.716 -2.162 1.00 3.56 H new ATOM 0 HH21 ARG A 42 54.088 13.127 0.213 1.00 4.11 H new ATOM 0 HH22 ARG A 42 55.120 13.425 -1.189 1.00 4.11 H new ATOM 658 N CYS A 43 56.884 5.415 2.396 1.00 0.74 N ATOM 659 CA CYS A 43 56.531 4.514 3.522 1.00 0.68 C ATOM 660 C CYS A 43 55.194 3.850 3.199 1.00 0.52 C ATOM 661 O CYS A 43 54.290 3.817 4.009 1.00 0.65 O ATOM 662 CB CYS A 43 56.392 5.320 4.809 1.00 0.85 C ATOM 663 SG CYS A 43 55.460 6.836 4.474 1.00 1.72 S ATOM 0 H CYS A 43 56.439 5.179 1.509 1.00 0.74 H new ATOM 0 HA CYS A 43 57.311 3.764 3.657 1.00 0.68 H new ATOM 0 HB2 CYS A 43 55.882 4.727 5.569 1.00 0.85 H new ATOM 0 HB3 CYS A 43 57.377 5.566 5.205 1.00 0.85 H new ATOM 0 HG CYS A 43 56.287 7.816 4.262 1.00 1.72 H new ATOM 669 N ASP A 44 55.058 3.335 2.010 1.00 0.47 N ATOM 670 CA ASP A 44 53.777 2.688 1.621 1.00 0.51 C ATOM 671 C ASP A 44 54.070 1.469 0.749 1.00 0.65 C ATOM 672 O ASP A 44 55.200 1.210 0.387 1.00 1.38 O ATOM 673 CB ASP A 44 52.933 3.690 0.831 1.00 0.72 C ATOM 674 CG ASP A 44 51.483 3.204 0.767 1.00 1.33 C ATOM 675 OD1 ASP A 44 50.878 3.065 1.818 1.00 2.11 O ATOM 676 OD2 ASP A 44 51.002 2.978 -0.331 1.00 1.75 O ATOM 0 H ASP A 44 55.780 3.335 1.290 1.00 0.47 H new ATOM 0 HA ASP A 44 53.235 2.373 2.513 1.00 0.51 H new ATOM 0 HB2 ASP A 44 52.978 4.671 1.304 1.00 0.72 H new ATOM 0 HB3 ASP A 44 53.334 3.804 -0.176 1.00 0.72 H new ATOM 681 N GLU A 45 53.061 0.722 0.402 1.00 0.52 N ATOM 682 CA GLU A 45 53.287 -0.473 -0.454 1.00 0.54 C ATOM 683 C GLU A 45 53.786 -0.019 -1.827 1.00 0.54 C ATOM 684 O GLU A 45 53.013 0.202 -2.738 1.00 0.91 O ATOM 685 CB GLU A 45 51.977 -1.245 -0.604 1.00 0.79 C ATOM 686 CG GLU A 45 50.947 -0.370 -1.320 1.00 0.97 C ATOM 687 CD GLU A 45 49.540 -0.781 -0.886 1.00 1.30 C ATOM 688 OE1 GLU A 45 49.237 -0.635 0.286 1.00 1.96 O ATOM 689 OE2 GLU A 45 48.790 -1.238 -1.733 1.00 1.66 O ATOM 0 H GLU A 45 52.092 0.887 0.674 1.00 0.52 H new ATOM 0 HA GLU A 45 54.033 -1.122 0.005 1.00 0.54 H new ATOM 0 HB2 GLU A 45 52.146 -2.162 -1.169 1.00 0.79 H new ATOM 0 HB3 GLU A 45 51.602 -1.539 0.376 1.00 0.79 H new ATOM 0 HG2 GLU A 45 51.120 0.680 -1.085 1.00 0.97 H new ATOM 0 HG3 GLU A 45 51.052 -0.476 -2.400 1.00 0.97 H new ATOM 696 N GLU A 46 55.074 0.132 -1.979 1.00 0.41 N ATOM 697 CA GLU A 46 55.620 0.582 -3.293 1.00 0.45 C ATOM 698 C GLU A 46 56.891 -0.208 -3.626 1.00 0.40 C ATOM 699 O GLU A 46 57.721 0.233 -4.396 1.00 0.53 O ATOM 700 CB GLU A 46 55.960 2.081 -3.250 1.00 0.57 C ATOM 701 CG GLU A 46 55.482 2.703 -1.934 1.00 1.37 C ATOM 702 CD GLU A 46 55.574 4.227 -2.026 1.00 1.87 C ATOM 703 OE1 GLU A 46 56.682 4.736 -2.003 1.00 2.25 O ATOM 704 OE2 GLU A 46 54.534 4.858 -2.118 1.00 2.45 O ATOM 0 H GLU A 46 55.770 -0.036 -1.253 1.00 0.41 H new ATOM 0 HA GLU A 46 54.863 0.407 -4.058 1.00 0.45 H new ATOM 0 HB2 GLU A 46 57.036 2.219 -3.354 1.00 0.57 H new ATOM 0 HB3 GLU A 46 55.490 2.591 -4.091 1.00 0.57 H new ATOM 0 HG2 GLU A 46 54.455 2.402 -1.729 1.00 1.37 H new ATOM 0 HG3 GLU A 46 56.091 2.341 -1.106 1.00 1.37 H new ATOM 711 N TYR A 47 57.051 -1.371 -3.055 1.00 0.34 N ATOM 712 CA TYR A 47 58.265 -2.186 -3.339 1.00 0.30 C ATOM 713 C TYR A 47 57.817 -3.445 -4.080 1.00 0.26 C ATOM 714 O TYR A 47 56.701 -3.898 -3.918 1.00 0.43 O ATOM 715 CB TYR A 47 58.963 -2.575 -2.022 1.00 0.32 C ATOM 716 CG TYR A 47 59.405 -1.336 -1.257 1.00 0.27 C ATOM 717 CD1 TYR A 47 58.497 -0.293 -1.014 1.00 1.25 C ATOM 718 CD2 TYR A 47 60.725 -1.230 -0.777 1.00 1.12 C ATOM 719 CE1 TYR A 47 58.900 0.840 -0.301 1.00 1.27 C ATOM 720 CE2 TYR A 47 61.117 -0.093 -0.066 1.00 1.13 C ATOM 721 CZ TYR A 47 60.209 0.938 0.172 1.00 0.39 C ATOM 722 OH TYR A 47 60.603 2.049 0.883 1.00 0.50 O ATOM 0 H TYR A 47 56.390 -1.792 -2.402 1.00 0.34 H new ATOM 0 HA TYR A 47 58.971 -1.616 -3.943 1.00 0.30 H new ATOM 0 HB2 TYR A 47 58.284 -3.165 -1.406 1.00 0.32 H new ATOM 0 HB3 TYR A 47 59.828 -3.204 -2.235 1.00 0.32 H new ATOM 0 HD1 TYR A 47 57.483 -0.366 -1.379 1.00 1.25 H new ATOM 0 HD2 TYR A 47 61.432 -2.026 -0.958 1.00 1.12 H new ATOM 0 HE1 TYR A 47 58.198 1.640 -0.116 1.00 1.27 H new ATOM 0 HE2 TYR A 47 62.129 -0.012 0.301 1.00 1.13 H new ATOM 0 HH TYR A 47 60.234 2.005 1.790 1.00 0.50 H new ATOM 732 N TYR A 48 58.655 -4.006 -4.907 1.00 0.35 N ATOM 733 CA TYR A 48 58.232 -5.219 -5.665 1.00 0.35 C ATOM 734 C TYR A 48 59.263 -6.339 -5.527 1.00 0.37 C ATOM 735 O TYR A 48 59.027 -7.339 -4.877 1.00 0.44 O ATOM 736 CB TYR A 48 58.078 -4.856 -7.143 1.00 0.42 C ATOM 737 CG TYR A 48 56.974 -5.685 -7.748 1.00 0.49 C ATOM 738 CD1 TYR A 48 57.264 -6.936 -8.304 1.00 1.29 C ATOM 739 CD2 TYR A 48 55.660 -5.205 -7.750 1.00 1.40 C ATOM 740 CE1 TYR A 48 56.238 -7.709 -8.861 1.00 1.44 C ATOM 741 CE2 TYR A 48 54.634 -5.976 -8.308 1.00 1.55 C ATOM 742 CZ TYR A 48 54.922 -7.228 -8.863 1.00 1.05 C ATOM 743 OH TYR A 48 53.910 -7.990 -9.410 1.00 1.38 O ATOM 0 H TYR A 48 59.605 -3.682 -5.090 1.00 0.35 H new ATOM 0 HA TYR A 48 57.284 -5.570 -5.258 1.00 0.35 H new ATOM 0 HB2 TYR A 48 57.850 -3.795 -7.247 1.00 0.42 H new ATOM 0 HB3 TYR A 48 59.014 -5.034 -7.672 1.00 0.42 H new ATOM 0 HD1 TYR A 48 58.279 -7.305 -8.303 1.00 1.29 H new ATOM 0 HD2 TYR A 48 55.437 -4.239 -7.321 1.00 1.40 H new ATOM 0 HE1 TYR A 48 56.461 -8.675 -9.289 1.00 1.44 H new ATOM 0 HE2 TYR A 48 53.620 -5.605 -8.310 1.00 1.55 H new ATOM 0 HH TYR A 48 53.059 -7.511 -9.329 1.00 1.38 H new ATOM 753 N LEU A 49 60.394 -6.193 -6.154 1.00 0.40 N ATOM 754 CA LEU A 49 61.430 -7.260 -6.084 1.00 0.48 C ATOM 755 C LEU A 49 62.187 -7.169 -4.759 1.00 0.48 C ATOM 756 O LEU A 49 62.057 -8.019 -3.902 1.00 0.81 O ATOM 757 CB LEU A 49 62.414 -7.084 -7.245 1.00 0.58 C ATOM 758 CG LEU A 49 63.649 -7.956 -7.012 1.00 0.68 C ATOM 759 CD1 LEU A 49 63.903 -8.821 -8.247 1.00 1.41 C ATOM 760 CD2 LEU A 49 64.864 -7.059 -6.758 1.00 1.41 C ATOM 0 H LEU A 49 60.647 -5.379 -6.714 1.00 0.40 H new ATOM 0 HA LEU A 49 60.947 -8.235 -6.152 1.00 0.48 H new ATOM 0 HB2 LEU A 49 61.935 -7.359 -8.185 1.00 0.58 H new ATOM 0 HB3 LEU A 49 62.707 -6.038 -7.331 1.00 0.58 H new ATOM 0 HG LEU A 49 63.483 -8.599 -6.147 1.00 0.68 H new ATOM 0 HD11 LEU A 49 64.783 -9.442 -8.081 1.00 1.41 H new ATOM 0 HD12 LEU A 49 63.038 -9.458 -8.429 1.00 1.41 H new ATOM 0 HD13 LEU A 49 64.070 -8.180 -9.112 1.00 1.41 H new ATOM 0 HD21 LEU A 49 65.745 -7.679 -6.592 1.00 1.41 H new ATOM 0 HD22 LEU A 49 65.030 -6.417 -7.623 1.00 1.41 H new ATOM 0 HD23 LEU A 49 64.683 -6.442 -5.878 1.00 1.41 H new ATOM 772 N LEU A 50 62.985 -6.154 -4.590 1.00 0.41 N ATOM 773 CA LEU A 50 63.759 -6.021 -3.325 1.00 0.44 C ATOM 774 C LEU A 50 64.788 -7.150 -3.245 1.00 0.62 C ATOM 775 O LEU A 50 64.581 -8.143 -2.576 1.00 0.87 O ATOM 776 CB LEU A 50 62.810 -6.115 -2.128 1.00 0.52 C ATOM 777 CG LEU A 50 63.571 -5.757 -0.852 1.00 0.72 C ATOM 778 CD1 LEU A 50 63.747 -4.241 -0.776 1.00 1.43 C ATOM 779 CD2 LEU A 50 62.783 -6.242 0.367 1.00 1.21 C ATOM 0 H LEU A 50 63.135 -5.411 -5.272 1.00 0.41 H new ATOM 0 HA LEU A 50 64.266 -5.056 -3.309 1.00 0.44 H new ATOM 0 HB2 LEU A 50 61.966 -5.439 -2.264 1.00 0.52 H new ATOM 0 HB3 LEU A 50 62.402 -7.123 -2.051 1.00 0.52 H new ATOM 0 HG LEU A 50 64.549 -6.238 -0.864 1.00 0.72 H new ATOM 0 HD11 LEU A 50 64.290 -3.983 0.133 1.00 1.43 H new ATOM 0 HD12 LEU A 50 64.309 -3.896 -1.644 1.00 1.43 H new ATOM 0 HD13 LEU A 50 62.768 -3.761 -0.763 1.00 1.43 H new ATOM 0 HD21 LEU A 50 63.326 -5.986 1.277 1.00 1.21 H new ATOM 0 HD22 LEU A 50 61.804 -5.762 0.382 1.00 1.21 H new ATOM 0 HD23 LEU A 50 62.656 -7.323 0.312 1.00 1.21 H new ATOM 791 N ASP A 51 65.893 -7.010 -3.924 1.00 0.86 N ATOM 792 CA ASP A 51 66.929 -8.081 -3.886 1.00 1.09 C ATOM 793 C ASP A 51 67.736 -7.967 -2.591 1.00 0.89 C ATOM 794 O ASP A 51 68.468 -7.019 -2.386 1.00 1.71 O ATOM 795 CB ASP A 51 67.865 -7.931 -5.087 1.00 1.98 C ATOM 796 CG ASP A 51 68.093 -9.300 -5.731 1.00 2.44 C ATOM 797 OD1 ASP A 51 67.129 -9.875 -6.211 1.00 3.12 O ATOM 798 OD2 ASP A 51 69.226 -9.751 -5.733 1.00 2.68 O ATOM 0 H ASP A 51 66.123 -6.202 -4.502 1.00 0.86 H new ATOM 0 HA ASP A 51 66.443 -9.056 -3.925 1.00 1.09 H new ATOM 0 HB2 ASP A 51 67.434 -7.243 -5.814 1.00 1.98 H new ATOM 0 HB3 ASP A 51 68.816 -7.504 -4.769 1.00 1.98 H new ATOM 803 N SER A 52 67.609 -8.927 -1.716 1.00 1.01 N ATOM 804 CA SER A 52 68.369 -8.873 -0.436 1.00 1.71 C ATOM 805 C SER A 52 69.846 -9.173 -0.702 1.00 1.17 C ATOM 806 O SER A 52 70.665 -9.140 0.196 1.00 1.37 O ATOM 807 CB SER A 52 67.805 -9.910 0.535 1.00 2.81 C ATOM 808 OG SER A 52 68.390 -11.177 0.262 1.00 3.67 O ATOM 0 H SER A 52 67.012 -9.746 -1.832 1.00 1.01 H new ATOM 0 HA SER A 52 68.275 -7.878 -0.001 1.00 1.71 H new ATOM 0 HB2 SER A 52 68.014 -9.614 1.563 1.00 2.81 H new ATOM 0 HB3 SER A 52 66.721 -9.968 0.434 1.00 2.81 H new ATOM 0 HG SER A 52 68.031 -11.844 0.884 1.00 3.67 H new ATOM 814 N SER A 53 70.195 -9.462 -1.928 1.00 1.07 N ATOM 815 CA SER A 53 71.620 -9.760 -2.249 1.00 1.02 C ATOM 816 C SER A 53 72.521 -8.760 -1.526 1.00 0.92 C ATOM 817 O SER A 53 73.506 -9.124 -0.914 1.00 0.94 O ATOM 818 CB SER A 53 71.839 -9.641 -3.757 1.00 1.43 C ATOM 819 OG SER A 53 71.468 -10.862 -4.384 1.00 1.85 O ATOM 0 H SER A 53 69.554 -9.504 -2.720 1.00 1.07 H new ATOM 0 HA SER A 53 71.862 -10.772 -1.925 1.00 1.02 H new ATOM 0 HB2 SER A 53 71.247 -8.818 -4.158 1.00 1.43 H new ATOM 0 HB3 SER A 53 72.884 -9.414 -3.967 1.00 1.43 H new ATOM 0 HG SER A 53 70.670 -10.718 -4.934 1.00 1.85 H new ATOM 825 N GLU A 54 72.189 -7.499 -1.587 1.00 0.91 N ATOM 826 CA GLU A 54 73.023 -6.476 -0.899 1.00 0.86 C ATOM 827 C GLU A 54 72.507 -6.281 0.526 1.00 0.67 C ATOM 828 O GLU A 54 71.333 -6.077 0.748 1.00 0.54 O ATOM 829 CB GLU A 54 72.936 -5.151 -1.659 1.00 0.93 C ATOM 830 CG GLU A 54 74.324 -4.511 -1.725 1.00 1.16 C ATOM 831 CD GLU A 54 74.885 -4.657 -3.140 1.00 1.56 C ATOM 832 OE1 GLU A 54 74.471 -3.899 -4.002 1.00 2.05 O ATOM 833 OE2 GLU A 54 75.718 -5.526 -3.339 1.00 2.19 O ATOM 0 H GLU A 54 71.376 -7.134 -2.084 1.00 0.91 H new ATOM 0 HA GLU A 54 74.061 -6.809 -0.870 1.00 0.86 H new ATOM 0 HB2 GLU A 54 72.554 -5.321 -2.665 1.00 0.93 H new ATOM 0 HB3 GLU A 54 72.237 -4.479 -1.161 1.00 0.93 H new ATOM 0 HG2 GLU A 54 74.264 -3.457 -1.453 1.00 1.16 H new ATOM 0 HG3 GLU A 54 74.991 -4.988 -1.007 1.00 1.16 H new ATOM 840 N ILE A 55 73.378 -6.348 1.493 1.00 0.84 N ATOM 841 CA ILE A 55 72.955 -6.177 2.905 1.00 0.79 C ATOM 842 C ILE A 55 72.884 -4.680 3.252 1.00 0.60 C ATOM 843 O ILE A 55 73.207 -4.269 4.347 1.00 0.68 O ATOM 844 CB ILE A 55 73.980 -6.882 3.803 1.00 1.13 C ATOM 845 CG1 ILE A 55 73.883 -8.395 3.589 1.00 1.91 C ATOM 846 CG2 ILE A 55 73.711 -6.564 5.273 1.00 1.12 C ATOM 847 CD1 ILE A 55 74.906 -9.102 4.478 1.00 2.34 C ATOM 0 H ILE A 55 74.375 -6.516 1.361 1.00 0.84 H new ATOM 0 HA ILE A 55 71.967 -6.611 3.058 1.00 0.79 H new ATOM 0 HB ILE A 55 74.978 -6.530 3.542 1.00 1.13 H new ATOM 0 HG12 ILE A 55 72.878 -8.743 3.826 1.00 1.91 H new ATOM 0 HG13 ILE A 55 74.066 -8.637 2.542 1.00 1.91 H new ATOM 0 HG21 ILE A 55 74.447 -7.072 5.896 1.00 1.12 H new ATOM 0 HG22 ILE A 55 73.782 -5.488 5.431 1.00 1.12 H new ATOM 0 HG23 ILE A 55 72.711 -6.905 5.542 1.00 1.12 H new ATOM 0 HD11 ILE A 55 74.837 -10.179 4.326 1.00 2.34 H new ATOM 0 HD12 ILE A 55 75.909 -8.762 4.220 1.00 2.34 H new ATOM 0 HD13 ILE A 55 74.702 -8.869 5.523 1.00 2.34 H new ATOM 859 N HIS A 56 72.466 -3.854 2.326 1.00 0.58 N ATOM 860 CA HIS A 56 72.386 -2.391 2.613 1.00 0.50 C ATOM 861 C HIS A 56 71.803 -1.669 1.399 1.00 0.48 C ATOM 862 O HIS A 56 71.170 -0.641 1.523 1.00 0.77 O ATOM 863 CB HIS A 56 73.783 -1.818 2.913 1.00 0.70 C ATOM 864 CG HIS A 56 74.848 -2.837 2.609 1.00 0.84 C ATOM 865 ND1 HIS A 56 75.406 -3.631 3.597 1.00 0.92 N ATOM 866 CD2 HIS A 56 75.445 -3.223 1.435 1.00 1.16 C ATOM 867 CE1 HIS A 56 76.293 -4.450 3.009 1.00 1.12 C ATOM 868 NE2 HIS A 56 76.359 -4.243 1.689 1.00 1.32 N ATOM 0 H HIS A 56 72.178 -4.129 1.387 1.00 0.58 H new ATOM 0 HA HIS A 56 71.748 -2.242 3.484 1.00 0.50 H new ATOM 0 HB2 HIS A 56 73.950 -0.920 2.317 1.00 0.70 H new ATOM 0 HB3 HIS A 56 73.844 -1.522 3.960 1.00 0.70 H new ATOM 0 HD1 HIS A 56 75.183 -3.599 4.592 1.00 0.92 H new ATOM 0 HD2 HIS A 56 75.238 -2.801 0.463 1.00 1.16 H new ATOM 0 HE1 HIS A 56 76.881 -5.186 3.537 1.00 1.12 H new ATOM 876 N TRP A 57 72.015 -2.189 0.222 1.00 0.42 N ATOM 877 CA TRP A 57 71.470 -1.517 -0.983 1.00 0.39 C ATOM 878 C TRP A 57 70.718 -2.529 -1.850 1.00 0.38 C ATOM 879 O TRP A 57 71.294 -3.197 -2.686 1.00 0.54 O ATOM 880 CB TRP A 57 72.623 -0.892 -1.771 1.00 0.41 C ATOM 881 CG TRP A 57 72.809 0.512 -1.299 1.00 0.42 C ATOM 882 CD1 TRP A 57 73.993 1.089 -0.984 1.00 0.50 C ATOM 883 CD2 TRP A 57 71.788 1.518 -1.071 1.00 0.48 C ATOM 884 NE1 TRP A 57 73.757 2.392 -0.577 1.00 0.60 N ATOM 885 CE2 TRP A 57 72.411 2.704 -0.619 1.00 0.58 C ATOM 886 CE3 TRP A 57 70.392 1.513 -1.218 1.00 0.53 C ATOM 887 CZ2 TRP A 57 71.671 3.848 -0.320 1.00 0.69 C ATOM 888 CZ3 TRP A 57 69.642 2.662 -0.919 1.00 0.64 C ATOM 889 CH2 TRP A 57 70.281 3.828 -0.472 1.00 0.71 C ATOM 0 H TRP A 57 72.540 -3.046 0.046 1.00 0.42 H new ATOM 0 HA TRP A 57 70.772 -0.735 -0.684 1.00 0.39 H new ATOM 0 HB2 TRP A 57 73.538 -1.466 -1.624 1.00 0.41 H new ATOM 0 HB3 TRP A 57 72.405 -0.908 -2.839 1.00 0.41 H new ATOM 0 HD1 TRP A 57 74.961 0.612 -1.041 1.00 0.50 H new ATOM 0 HE1 TRP A 57 74.487 3.041 -0.283 1.00 0.60 H new ATOM 0 HE3 TRP A 57 69.892 0.620 -1.563 1.00 0.53 H new ATOM 0 HZ2 TRP A 57 72.168 4.742 0.026 1.00 0.69 H new ATOM 0 HZ3 TRP A 57 68.568 2.648 -1.034 1.00 0.64 H new ATOM 0 HH2 TRP A 57 69.700 4.710 -0.245 1.00 0.71 H new ATOM 900 N TRP A 58 69.427 -2.647 -1.655 1.00 0.28 N ATOM 901 CA TRP A 58 68.635 -3.615 -2.468 1.00 0.31 C ATOM 902 C TRP A 58 68.150 -2.946 -3.749 1.00 0.32 C ATOM 903 O TRP A 58 68.466 -1.809 -4.038 1.00 0.57 O ATOM 904 CB TRP A 58 67.406 -4.085 -1.693 1.00 0.32 C ATOM 905 CG TRP A 58 67.796 -4.558 -0.333 1.00 0.31 C ATOM 906 CD1 TRP A 58 68.882 -5.307 -0.031 1.00 0.42 C ATOM 907 CD2 TRP A 58 67.098 -4.329 0.912 1.00 0.30 C ATOM 908 NE1 TRP A 58 68.885 -5.550 1.335 1.00 0.44 N ATOM 909 CE2 TRP A 58 67.802 -4.964 1.958 1.00 0.36 C ATOM 910 CE3 TRP A 58 65.929 -3.633 1.224 1.00 0.36 C ATOM 911 CZ2 TRP A 58 67.352 -4.909 3.278 1.00 0.41 C ATOM 912 CZ3 TRP A 58 65.469 -3.574 2.544 1.00 0.44 C ATOM 913 CH2 TRP A 58 66.176 -4.210 3.572 1.00 0.45 C ATOM 0 H TRP A 58 68.891 -2.115 -0.969 1.00 0.28 H new ATOM 0 HA TRP A 58 69.279 -4.464 -2.699 1.00 0.31 H new ATOM 0 HB2 TRP A 58 66.688 -3.269 -1.609 1.00 0.32 H new ATOM 0 HB3 TRP A 58 66.912 -4.890 -2.237 1.00 0.32 H new ATOM 0 HD1 TRP A 58 69.622 -5.657 -0.735 1.00 0.42 H new ATOM 0 HE1 TRP A 58 69.599 -6.094 1.819 1.00 0.44 H new ATOM 0 HE3 TRP A 58 65.376 -3.136 0.441 1.00 0.36 H new ATOM 0 HZ2 TRP A 58 67.906 -5.401 4.064 1.00 0.41 H new ATOM 0 HZ3 TRP A 58 64.562 -3.034 2.772 1.00 0.44 H new ATOM 0 HH2 TRP A 58 65.815 -4.161 4.589 1.00 0.45 H new ATOM 924 N ARG A 59 67.353 -3.649 -4.499 1.00 0.31 N ATOM 925 CA ARG A 59 66.792 -3.084 -5.752 1.00 0.34 C ATOM 926 C ARG A 59 65.294 -3.373 -5.752 1.00 0.42 C ATOM 927 O ARG A 59 64.856 -4.376 -5.226 1.00 0.84 O ATOM 928 CB ARG A 59 67.446 -3.750 -6.961 1.00 0.48 C ATOM 929 CG ARG A 59 67.819 -2.683 -7.990 1.00 1.22 C ATOM 930 CD ARG A 59 67.987 -3.336 -9.362 1.00 1.55 C ATOM 931 NE ARG A 59 68.995 -4.430 -9.270 1.00 1.80 N ATOM 932 CZ ARG A 59 69.135 -5.278 -10.254 1.00 1.87 C ATOM 933 NH1 ARG A 59 68.396 -5.169 -11.325 1.00 1.79 N ATOM 934 NH2 ARG A 59 70.016 -6.237 -10.166 1.00 2.50 N ATOM 0 H ARG A 59 67.063 -4.605 -4.293 1.00 0.31 H new ATOM 0 HA ARG A 59 66.979 -2.012 -5.808 1.00 0.34 H new ATOM 0 HB2 ARG A 59 68.336 -4.298 -6.651 1.00 0.48 H new ATOM 0 HB3 ARG A 59 66.763 -4.475 -7.404 1.00 0.48 H new ATOM 0 HG2 ARG A 59 67.045 -1.917 -8.032 1.00 1.22 H new ATOM 0 HG3 ARG A 59 68.744 -2.186 -7.696 1.00 1.22 H new ATOM 0 HD2 ARG A 59 67.033 -3.734 -9.707 1.00 1.55 H new ATOM 0 HD3 ARG A 59 68.306 -2.594 -10.094 1.00 1.55 H new ATOM 0 HE ARG A 59 69.577 -4.517 -8.437 1.00 1.80 H new ATOM 0 HH11 ARG A 59 67.707 -4.420 -11.395 1.00 1.79 H new ATOM 0 HH12 ARG A 59 68.508 -5.833 -12.091 1.00 1.79 H new ATOM 0 HH21 ARG A 59 70.594 -6.324 -9.330 1.00 2.50 H new ATOM 0 HH22 ARG A 59 70.127 -6.900 -10.933 1.00 2.50 H new ATOM 948 N VAL A 60 64.496 -2.510 -6.308 1.00 0.31 N ATOM 949 CA VAL A 60 63.030 -2.769 -6.292 1.00 0.34 C ATOM 950 C VAL A 60 62.356 -2.095 -7.485 1.00 0.38 C ATOM 951 O VAL A 60 62.818 -1.095 -7.997 1.00 0.66 O ATOM 952 CB VAL A 60 62.419 -2.232 -4.992 1.00 0.41 C ATOM 953 CG1 VAL A 60 62.044 -3.405 -4.085 1.00 0.46 C ATOM 954 CG2 VAL A 60 63.420 -1.329 -4.260 1.00 0.40 C ATOM 0 H VAL A 60 64.788 -1.647 -6.767 1.00 0.31 H new ATOM 0 HA VAL A 60 62.869 -3.845 -6.354 1.00 0.34 H new ATOM 0 HB VAL A 60 61.531 -1.650 -5.237 1.00 0.41 H new ATOM 0 HG11 VAL A 60 61.609 -3.025 -3.160 1.00 0.46 H new ATOM 0 HG12 VAL A 60 61.318 -4.040 -4.593 1.00 0.46 H new ATOM 0 HG13 VAL A 60 62.937 -3.987 -3.854 1.00 0.46 H new ATOM 0 HG21 VAL A 60 62.969 -0.957 -3.340 1.00 0.40 H new ATOM 0 HG22 VAL A 60 64.317 -1.900 -4.020 1.00 0.40 H new ATOM 0 HG23 VAL A 60 63.686 -0.487 -4.900 1.00 0.40 H new ATOM 964 N GLN A 61 61.257 -2.644 -7.925 1.00 0.36 N ATOM 965 CA GLN A 61 60.531 -2.054 -9.082 1.00 0.39 C ATOM 966 C GLN A 61 59.057 -1.881 -8.713 1.00 0.43 C ATOM 967 O GLN A 61 58.238 -2.734 -8.991 1.00 0.78 O ATOM 968 CB GLN A 61 60.646 -2.994 -10.285 1.00 0.49 C ATOM 969 CG GLN A 61 61.177 -2.220 -11.493 1.00 1.40 C ATOM 970 CD GLN A 61 61.359 -3.178 -12.672 1.00 1.85 C ATOM 971 OE1 GLN A 61 60.476 -3.321 -13.496 1.00 2.40 O ATOM 972 NE2 GLN A 61 62.475 -3.844 -12.789 1.00 2.42 N ATOM 0 H GLN A 61 60.829 -3.481 -7.529 1.00 0.36 H new ATOM 0 HA GLN A 61 60.963 -1.086 -9.334 1.00 0.39 H new ATOM 0 HB2 GLN A 61 61.314 -3.823 -10.049 1.00 0.49 H new ATOM 0 HB3 GLN A 61 59.672 -3.425 -10.516 1.00 0.49 H new ATOM 0 HG2 GLN A 61 60.483 -1.423 -11.762 1.00 1.40 H new ATOM 0 HG3 GLN A 61 62.127 -1.746 -11.246 1.00 1.40 H new ATOM 0 HE21 GLN A 61 63.215 -3.724 -12.098 1.00 2.42 H new ATOM 0 HE22 GLN A 61 62.607 -4.485 -13.572 1.00 2.42 H new ATOM 981 N ASP A 62 58.710 -0.786 -8.088 1.00 0.38 N ATOM 982 CA ASP A 62 57.285 -0.565 -7.708 1.00 0.43 C ATOM 983 C ASP A 62 56.398 -0.804 -8.940 1.00 0.47 C ATOM 984 O ASP A 62 56.877 -1.169 -9.995 1.00 0.80 O ATOM 985 CB ASP A 62 57.104 0.872 -7.223 1.00 0.44 C ATOM 986 CG ASP A 62 55.840 0.962 -6.370 1.00 0.59 C ATOM 987 OD1 ASP A 62 55.331 -0.082 -5.996 1.00 1.11 O ATOM 988 OD2 ASP A 62 55.400 2.069 -6.108 1.00 1.41 O ATOM 0 H ASP A 62 59.351 -0.037 -7.825 1.00 0.38 H new ATOM 0 HA ASP A 62 57.004 -1.253 -6.910 1.00 0.43 H new ATOM 0 HB2 ASP A 62 57.972 1.184 -6.642 1.00 0.44 H new ATOM 0 HB3 ASP A 62 57.031 1.549 -8.074 1.00 0.44 H new ATOM 993 N LYS A 63 55.112 -0.605 -8.824 1.00 0.79 N ATOM 994 CA LYS A 63 54.216 -0.832 -9.995 1.00 0.80 C ATOM 995 C LYS A 63 54.162 0.415 -10.887 1.00 0.96 C ATOM 996 O LYS A 63 53.969 0.318 -12.083 1.00 1.50 O ATOM 997 CB LYS A 63 52.805 -1.154 -9.496 1.00 1.38 C ATOM 998 CG LYS A 63 52.612 -2.671 -9.455 1.00 1.68 C ATOM 999 CD LYS A 63 51.889 -3.129 -10.723 1.00 2.28 C ATOM 1000 CE LYS A 63 50.441 -2.635 -10.693 1.00 2.91 C ATOM 1001 NZ LYS A 63 49.677 -3.397 -9.664 1.00 3.46 N ATOM 0 H LYS A 63 54.644 -0.296 -7.972 1.00 0.79 H new ATOM 0 HA LYS A 63 54.609 -1.664 -10.579 1.00 0.80 H new ATOM 0 HB2 LYS A 63 52.653 -0.731 -8.503 1.00 1.38 H new ATOM 0 HB3 LYS A 63 52.063 -0.700 -10.153 1.00 1.38 H new ATOM 0 HG2 LYS A 63 53.578 -3.169 -9.375 1.00 1.68 H new ATOM 0 HG3 LYS A 63 52.035 -2.951 -8.574 1.00 1.68 H new ATOM 0 HD2 LYS A 63 52.398 -2.741 -11.605 1.00 2.28 H new ATOM 0 HD3 LYS A 63 51.912 -4.216 -10.795 1.00 2.28 H new ATOM 0 HE2 LYS A 63 50.414 -1.569 -10.466 1.00 2.91 H new ATOM 0 HE3 LYS A 63 49.981 -2.764 -11.673 1.00 2.91 H new ATOM 0 HZ1 LYS A 63 48.660 -3.335 -9.871 1.00 3.46 H new ATOM 0 HZ2 LYS A 63 49.974 -4.394 -9.679 1.00 3.46 H new ATOM 0 HZ3 LYS A 63 49.864 -2.994 -8.724 1.00 3.46 H new ATOM 1015 N ASN A 64 54.315 1.584 -10.325 1.00 1.10 N ATOM 1016 CA ASN A 64 54.252 2.821 -11.161 1.00 1.47 C ATOM 1017 C ASN A 64 55.658 3.251 -11.594 1.00 1.36 C ATOM 1018 O ASN A 64 56.019 4.407 -11.517 1.00 1.97 O ATOM 1019 CB ASN A 64 53.572 3.935 -10.371 1.00 2.02 C ATOM 1020 CG ASN A 64 52.092 3.996 -10.756 1.00 2.60 C ATOM 1021 OD1 ASN A 64 51.725 4.678 -11.692 1.00 2.92 O ATOM 1022 ND2 ASN A 64 51.221 3.308 -10.070 1.00 3.22 N ATOM 0 H ASN A 64 54.480 1.737 -9.330 1.00 1.10 H new ATOM 0 HA ASN A 64 53.671 2.614 -12.060 1.00 1.47 H new ATOM 0 HB2 ASN A 64 53.674 3.753 -9.301 1.00 2.02 H new ATOM 0 HB3 ASN A 64 54.054 4.890 -10.579 1.00 2.02 H new ATOM 0 HD21 ASN A 64 50.233 3.343 -10.320 1.00 3.22 H new ATOM 0 HD22 ASN A 64 51.528 2.735 -9.284 1.00 3.22 H new ATOM 1029 N GLY A 65 56.443 2.324 -12.069 1.00 1.17 N ATOM 1030 CA GLY A 65 57.824 2.654 -12.531 1.00 1.07 C ATOM 1031 C GLY A 65 58.608 3.347 -11.424 1.00 0.83 C ATOM 1032 O GLY A 65 59.602 3.993 -11.685 1.00 0.80 O ATOM 0 H GLY A 65 56.185 1.341 -12.158 1.00 1.17 H new ATOM 0 HA2 GLY A 65 58.340 1.743 -12.834 1.00 1.07 H new ATOM 0 HA3 GLY A 65 57.775 3.299 -13.408 1.00 1.07 H new ATOM 1036 N HIS A 66 58.200 3.203 -10.194 1.00 0.75 N ATOM 1037 CA HIS A 66 58.977 3.831 -9.093 1.00 0.56 C ATOM 1038 C HIS A 66 60.128 2.880 -8.792 1.00 0.48 C ATOM 1039 O HIS A 66 60.116 2.141 -7.827 1.00 0.49 O ATOM 1040 CB HIS A 66 58.095 4.018 -7.857 1.00 0.68 C ATOM 1041 CG HIS A 66 56.834 4.728 -8.256 1.00 0.91 C ATOM 1042 ND1 HIS A 66 55.666 4.631 -7.521 1.00 1.23 N ATOM 1043 CD2 HIS A 66 56.546 5.555 -9.311 1.00 1.36 C ATOM 1044 CE1 HIS A 66 54.738 5.381 -8.140 1.00 1.34 C ATOM 1045 NE2 HIS A 66 55.224 5.971 -9.232 1.00 1.39 N ATOM 0 H HIS A 66 57.371 2.683 -9.907 1.00 0.75 H new ATOM 0 HA HIS A 66 59.344 4.818 -9.376 1.00 0.56 H new ATOM 0 HB2 HIS A 66 57.858 3.051 -7.415 1.00 0.68 H new ATOM 0 HB3 HIS A 66 58.627 4.593 -7.099 1.00 0.68 H new ATOM 0 HD1 HIS A 66 55.533 4.090 -6.667 1.00 1.23 H new ATOM 0 HD2 HIS A 66 57.242 5.840 -10.086 1.00 1.36 H new ATOM 0 HE1 HIS A 66 53.721 5.492 -7.794 1.00 1.34 H new ATOM 1053 N GLU A 67 61.098 2.866 -9.657 1.00 0.47 N ATOM 1054 CA GLU A 67 62.243 1.942 -9.506 1.00 0.45 C ATOM 1055 C GLU A 67 63.235 2.480 -8.478 1.00 0.34 C ATOM 1056 O GLU A 67 64.272 3.017 -8.814 1.00 0.34 O ATOM 1057 CB GLU A 67 62.917 1.806 -10.870 1.00 0.61 C ATOM 1058 CG GLU A 67 62.072 0.902 -11.768 1.00 1.18 C ATOM 1059 CD GLU A 67 62.909 0.441 -12.963 1.00 1.50 C ATOM 1060 OE1 GLU A 67 63.066 1.223 -13.887 1.00 1.87 O ATOM 1061 OE2 GLU A 67 63.379 -0.684 -12.935 1.00 2.15 O ATOM 0 H GLU A 67 61.143 3.470 -10.478 1.00 0.47 H new ATOM 0 HA GLU A 67 61.896 0.970 -9.154 1.00 0.45 H new ATOM 0 HB2 GLU A 67 63.033 2.787 -11.330 1.00 0.61 H new ATOM 0 HB3 GLU A 67 63.917 1.388 -10.753 1.00 0.61 H new ATOM 0 HG2 GLU A 67 61.719 0.039 -11.204 1.00 1.18 H new ATOM 0 HG3 GLU A 67 61.189 1.439 -12.115 1.00 1.18 H new ATOM 1068 N GLY A 68 62.929 2.322 -7.223 1.00 0.33 N ATOM 1069 CA GLY A 68 63.858 2.800 -6.168 1.00 0.32 C ATOM 1070 C GLY A 68 64.813 1.666 -5.810 1.00 0.34 C ATOM 1071 O GLY A 68 64.719 0.578 -6.338 1.00 0.41 O ATOM 0 H GLY A 68 62.074 1.882 -6.883 1.00 0.33 H new ATOM 0 HA2 GLY A 68 64.416 3.668 -6.520 1.00 0.32 H new ATOM 0 HA3 GLY A 68 63.299 3.116 -5.287 1.00 0.32 H new ATOM 1075 N TYR A 69 65.724 1.909 -4.915 1.00 0.33 N ATOM 1076 CA TYR A 69 66.676 0.852 -4.513 1.00 0.37 C ATOM 1077 C TYR A 69 66.751 0.832 -2.983 1.00 0.44 C ATOM 1078 O TYR A 69 67.802 0.974 -2.390 1.00 0.81 O ATOM 1079 CB TYR A 69 68.052 1.149 -5.119 1.00 0.48 C ATOM 1080 CG TYR A 69 67.937 1.176 -6.629 1.00 0.48 C ATOM 1081 CD1 TYR A 69 67.084 0.276 -7.280 1.00 1.25 C ATOM 1082 CD2 TYR A 69 68.684 2.096 -7.381 1.00 1.24 C ATOM 1083 CE1 TYR A 69 66.975 0.295 -8.674 1.00 1.29 C ATOM 1084 CE2 TYR A 69 68.576 2.111 -8.776 1.00 1.31 C ATOM 1085 CZ TYR A 69 67.721 1.211 -9.423 1.00 0.72 C ATOM 1086 OH TYR A 69 67.614 1.227 -10.798 1.00 0.89 O ATOM 0 H TYR A 69 65.848 2.804 -4.442 1.00 0.33 H new ATOM 0 HA TYR A 69 66.347 -0.123 -4.873 1.00 0.37 H new ATOM 0 HB2 TYR A 69 68.424 2.106 -4.754 1.00 0.48 H new ATOM 0 HB3 TYR A 69 68.770 0.389 -4.811 1.00 0.48 H new ATOM 0 HD1 TYR A 69 66.509 -0.434 -6.704 1.00 1.25 H new ATOM 0 HD2 TYR A 69 69.342 2.792 -6.883 1.00 1.24 H new ATOM 0 HE1 TYR A 69 66.314 -0.398 -9.173 1.00 1.29 H new ATOM 0 HE2 TYR A 69 69.153 2.818 -9.354 1.00 1.31 H new ATOM 0 HH TYR A 69 67.292 2.105 -11.091 1.00 0.89 H new ATOM 1096 N ALA A 70 65.618 0.675 -2.355 1.00 0.47 N ATOM 1097 CA ALA A 70 65.544 0.661 -0.864 1.00 0.65 C ATOM 1098 C ALA A 70 66.785 0.002 -0.243 1.00 0.47 C ATOM 1099 O ALA A 70 67.118 -1.118 -0.574 1.00 0.49 O ATOM 1100 CB ALA A 70 64.308 -0.132 -0.446 1.00 0.90 C ATOM 0 H ALA A 70 64.720 0.553 -2.823 1.00 0.47 H new ATOM 0 HA ALA A 70 65.491 1.691 -0.512 1.00 0.65 H new ATOM 0 HB1 ALA A 70 64.239 -0.152 0.642 1.00 0.90 H new ATOM 0 HB2 ALA A 70 63.416 0.341 -0.857 1.00 0.90 H new ATOM 0 HB3 ALA A 70 64.385 -1.152 -0.823 1.00 0.90 H new ATOM 1106 N PRO A 71 67.416 0.713 0.666 1.00 0.40 N ATOM 1107 CA PRO A 71 68.604 0.216 1.380 1.00 0.32 C ATOM 1108 C PRO A 71 68.163 -0.652 2.565 1.00 0.25 C ATOM 1109 O PRO A 71 66.993 -0.928 2.738 1.00 0.28 O ATOM 1110 CB PRO A 71 69.282 1.492 1.880 1.00 0.45 C ATOM 1111 CG PRO A 71 68.178 2.576 1.939 1.00 0.55 C ATOM 1112 CD PRO A 71 67.016 2.080 1.055 1.00 0.51 C ATOM 0 HA PRO A 71 69.260 -0.395 0.760 1.00 0.32 H new ATOM 0 HB2 PRO A 71 69.727 1.336 2.863 1.00 0.45 H new ATOM 0 HB3 PRO A 71 70.087 1.793 1.210 1.00 0.45 H new ATOM 0 HG2 PRO A 71 67.844 2.731 2.965 1.00 0.55 H new ATOM 0 HG3 PRO A 71 68.556 3.533 1.579 1.00 0.55 H new ATOM 0 HD2 PRO A 71 66.073 2.079 1.601 1.00 0.51 H new ATOM 0 HD3 PRO A 71 66.879 2.718 0.182 1.00 0.51 H new ATOM 1120 N SER A 72 69.084 -1.078 3.385 1.00 0.24 N ATOM 1121 CA SER A 72 68.704 -1.917 4.556 1.00 0.25 C ATOM 1122 C SER A 72 68.453 -1.026 5.778 1.00 0.24 C ATOM 1123 O SER A 72 67.548 -1.260 6.553 1.00 0.27 O ATOM 1124 CB SER A 72 69.835 -2.898 4.867 1.00 0.35 C ATOM 1125 OG SER A 72 69.310 -4.010 5.581 1.00 0.83 O ATOM 0 H SER A 72 70.081 -0.882 3.295 1.00 0.24 H new ATOM 0 HA SER A 72 67.793 -2.468 4.321 1.00 0.25 H new ATOM 0 HB2 SER A 72 70.305 -3.234 3.943 1.00 0.35 H new ATOM 0 HB3 SER A 72 70.608 -2.405 5.457 1.00 0.35 H new ATOM 0 HG SER A 72 68.387 -4.175 5.296 1.00 0.83 H new ATOM 1131 N SER A 73 69.260 -0.016 5.963 1.00 0.29 N ATOM 1132 CA SER A 73 69.085 0.881 7.143 1.00 0.36 C ATOM 1133 C SER A 73 67.763 1.647 7.038 1.00 0.33 C ATOM 1134 O SER A 73 67.012 1.736 7.990 1.00 0.44 O ATOM 1135 CB SER A 73 70.246 1.874 7.198 1.00 0.47 C ATOM 1136 OG SER A 73 70.305 2.455 8.493 1.00 0.77 O ATOM 0 H SER A 73 70.035 0.228 5.346 1.00 0.29 H new ATOM 0 HA SER A 73 69.070 0.276 8.050 1.00 0.36 H new ATOM 0 HB2 SER A 73 71.184 1.367 6.971 1.00 0.47 H new ATOM 0 HB3 SER A 73 70.112 2.650 6.444 1.00 0.47 H new ATOM 0 HG SER A 73 71.049 3.091 8.532 1.00 0.77 H new ATOM 1142 N TYR A 74 67.470 2.206 5.895 1.00 0.28 N ATOM 1143 CA TYR A 74 66.195 2.970 5.742 1.00 0.28 C ATOM 1144 C TYR A 74 65.044 2.007 5.450 1.00 0.29 C ATOM 1145 O TYR A 74 63.988 2.410 5.007 1.00 0.45 O ATOM 1146 CB TYR A 74 66.330 3.958 4.581 1.00 0.30 C ATOM 1147 CG TYR A 74 66.130 5.361 5.083 1.00 0.26 C ATOM 1148 CD1 TYR A 74 64.902 5.741 5.630 1.00 1.17 C ATOM 1149 CD2 TYR A 74 67.178 6.282 5.008 1.00 1.30 C ATOM 1150 CE1 TYR A 74 64.720 7.046 6.100 1.00 1.19 C ATOM 1151 CE2 TYR A 74 67.000 7.584 5.477 1.00 1.34 C ATOM 1152 CZ TYR A 74 65.771 7.969 6.023 1.00 0.44 C ATOM 1153 OH TYR A 74 65.594 9.257 6.486 1.00 0.59 O ATOM 0 H TYR A 74 68.056 2.168 5.061 1.00 0.28 H new ATOM 0 HA TYR A 74 65.989 3.511 6.666 1.00 0.28 H new ATOM 0 HB2 TYR A 74 67.314 3.863 4.122 1.00 0.30 H new ATOM 0 HB3 TYR A 74 65.595 3.729 3.809 1.00 0.30 H new ATOM 0 HD1 TYR A 74 64.093 5.028 5.690 1.00 1.17 H new ATOM 0 HD2 TYR A 74 68.127 5.986 4.586 1.00 1.30 H new ATOM 0 HE1 TYR A 74 63.771 7.341 6.522 1.00 1.19 H new ATOM 0 HE2 TYR A 74 67.811 8.295 5.418 1.00 1.34 H new ATOM 0 HH TYR A 74 64.741 9.609 6.156 1.00 0.59 H new ATOM 1163 N LEU A 75 65.232 0.740 5.698 1.00 0.25 N ATOM 1164 CA LEU A 75 64.150 -0.233 5.441 1.00 0.28 C ATOM 1165 C LEU A 75 64.229 -1.370 6.456 1.00 0.29 C ATOM 1166 O LEU A 75 65.296 -1.799 6.843 1.00 0.32 O ATOM 1167 CB LEU A 75 64.285 -0.807 4.035 1.00 0.34 C ATOM 1168 CG LEU A 75 63.030 -0.505 3.233 1.00 0.65 C ATOM 1169 CD1 LEU A 75 63.160 0.880 2.600 1.00 0.81 C ATOM 1170 CD2 LEU A 75 62.893 -1.568 2.146 1.00 1.23 C ATOM 0 H LEU A 75 66.095 0.342 6.069 1.00 0.25 H new ATOM 0 HA LEU A 75 63.191 0.276 5.532 1.00 0.28 H new ATOM 0 HB2 LEU A 75 65.156 -0.378 3.539 1.00 0.34 H new ATOM 0 HB3 LEU A 75 64.445 -1.884 4.086 1.00 0.34 H new ATOM 0 HG LEU A 75 62.149 -0.517 3.875 1.00 0.65 H new ATOM 0 HD11 LEU A 75 62.262 1.102 2.023 1.00 0.81 H new ATOM 0 HD12 LEU A 75 63.282 1.628 3.383 1.00 0.81 H new ATOM 0 HD13 LEU A 75 64.028 0.899 1.941 1.00 0.81 H new ATOM 0 HD21 LEU A 75 61.998 -1.372 1.556 1.00 1.23 H new ATOM 0 HD22 LEU A 75 63.768 -1.540 1.497 1.00 1.23 H new ATOM 0 HD23 LEU A 75 62.815 -2.552 2.608 1.00 1.23 H new ATOM 1182 N VAL A 76 63.097 -1.861 6.882 1.00 0.36 N ATOM 1183 CA VAL A 76 63.062 -2.979 7.874 1.00 0.37 C ATOM 1184 C VAL A 76 61.640 -3.113 8.419 1.00 0.39 C ATOM 1185 O VAL A 76 61.434 -3.394 9.583 1.00 0.75 O ATOM 1186 CB VAL A 76 64.021 -2.716 9.047 1.00 0.45 C ATOM 1187 CG1 VAL A 76 65.349 -3.425 8.786 1.00 0.82 C ATOM 1188 CG2 VAL A 76 64.271 -1.213 9.218 1.00 0.72 C ATOM 0 H VAL A 76 62.180 -1.531 6.581 1.00 0.36 H new ATOM 0 HA VAL A 76 63.374 -3.895 7.372 1.00 0.37 H new ATOM 0 HB VAL A 76 63.567 -3.100 9.961 1.00 0.45 H new ATOM 0 HG11 VAL A 76 66.030 -3.239 9.617 1.00 0.82 H new ATOM 0 HG12 VAL A 76 65.177 -4.497 8.691 1.00 0.82 H new ATOM 0 HG13 VAL A 76 65.789 -3.045 7.864 1.00 0.82 H new ATOM 0 HG21 VAL A 76 64.952 -1.050 10.053 1.00 0.72 H new ATOM 0 HG22 VAL A 76 64.713 -0.812 8.306 1.00 0.72 H new ATOM 0 HG23 VAL A 76 63.326 -0.707 9.416 1.00 0.72 H new ATOM 1198 N GLU A 77 60.655 -2.913 7.586 1.00 0.39 N ATOM 1199 CA GLU A 77 59.247 -3.026 8.057 1.00 0.41 C ATOM 1200 C GLU A 77 58.429 -3.814 7.032 1.00 0.56 C ATOM 1201 O GLU A 77 57.980 -3.279 6.038 1.00 0.44 O ATOM 1202 CB GLU A 77 58.650 -1.627 8.222 1.00 0.53 C ATOM 1203 CG GLU A 77 58.208 -1.426 9.673 1.00 0.90 C ATOM 1204 CD GLU A 77 57.809 0.035 9.888 1.00 1.34 C ATOM 1205 OE1 GLU A 77 57.879 0.794 8.936 1.00 2.02 O ATOM 1206 OE2 GLU A 77 57.441 0.370 11.002 1.00 1.97 O ATOM 0 H GLU A 77 60.765 -2.676 6.600 1.00 0.39 H new ATOM 0 HA GLU A 77 59.224 -3.545 9.015 1.00 0.41 H new ATOM 0 HB2 GLU A 77 59.386 -0.872 7.947 1.00 0.53 H new ATOM 0 HB3 GLU A 77 57.800 -1.502 7.551 1.00 0.53 H new ATOM 0 HG2 GLU A 77 57.367 -2.081 9.902 1.00 0.90 H new ATOM 0 HG3 GLU A 77 59.017 -1.697 10.351 1.00 0.90 H new ATOM 1213 N LYS A 78 58.233 -5.081 7.268 1.00 1.03 N ATOM 1214 CA LYS A 78 57.444 -5.906 6.312 1.00 1.30 C ATOM 1215 C LYS A 78 56.693 -6.992 7.085 1.00 1.79 C ATOM 1216 O LYS A 78 56.565 -6.930 8.291 1.00 2.21 O ATOM 1217 CB LYS A 78 58.388 -6.558 5.300 1.00 1.58 C ATOM 1218 CG LYS A 78 59.453 -7.367 6.043 1.00 2.20 C ATOM 1219 CD LYS A 78 59.178 -8.861 5.862 1.00 2.74 C ATOM 1220 CE LYS A 78 60.489 -9.640 5.983 1.00 3.21 C ATOM 1221 NZ LYS A 78 60.860 -10.197 4.651 1.00 3.98 N ATOM 0 H LYS A 78 58.586 -5.582 8.084 1.00 1.03 H new ATOM 0 HA LYS A 78 56.731 -5.273 5.784 1.00 1.30 H new ATOM 0 HB2 LYS A 78 57.826 -7.207 4.628 1.00 1.58 H new ATOM 0 HB3 LYS A 78 58.861 -5.794 4.683 1.00 1.58 H new ATOM 0 HG2 LYS A 78 60.444 -7.120 5.662 1.00 2.20 H new ATOM 0 HG3 LYS A 78 59.446 -7.111 7.102 1.00 2.20 H new ATOM 0 HD2 LYS A 78 58.468 -9.205 6.614 1.00 2.74 H new ATOM 0 HD3 LYS A 78 58.723 -9.042 4.888 1.00 2.74 H new ATOM 0 HE2 LYS A 78 61.281 -8.986 6.349 1.00 3.21 H new ATOM 0 HE3 LYS A 78 60.380 -10.446 6.709 1.00 3.21 H new ATOM 0 HZ1 LYS A 78 61.751 -10.727 4.732 1.00 3.98 H new ATOM 0 HZ2 LYS A 78 60.108 -10.834 4.319 1.00 3.98 H new ATOM 0 HZ3 LYS A 78 60.980 -9.419 3.971 1.00 3.98 H new ATOM 1235 N SER A 79 56.196 -7.986 6.402 1.00 2.26 N ATOM 1236 CA SER A 79 55.454 -9.073 7.102 1.00 2.79 C ATOM 1237 C SER A 79 54.106 -8.537 7.590 1.00 3.32 C ATOM 1238 O SER A 79 53.527 -9.156 8.467 1.00 3.64 O ATOM 1239 CB SER A 79 56.269 -9.562 8.300 1.00 3.43 C ATOM 1240 OG SER A 79 55.841 -10.870 8.656 1.00 3.99 O ATOM 1241 OXT SER A 79 53.677 -7.516 7.078 1.00 3.91 O ATOM 0 H SER A 79 56.271 -8.093 5.390 1.00 2.26 H new ATOM 0 HA SER A 79 55.291 -9.901 6.412 1.00 2.79 H new ATOM 0 HB2 SER A 79 57.331 -9.569 8.054 1.00 3.43 H new ATOM 0 HB3 SER A 79 56.141 -8.883 9.143 1.00 3.43 H new ATOM 0 HG SER A 79 54.866 -10.880 8.754 1.00 3.99 H new TER 1247 SER A 79 END