USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 913 hydrogens (0 hets) HEADER ANK-REPEAT 17-AUG-98 2MYO TITLE SOLUTION STRUCTURE OF MYOTROPHIN, NMR, MINIMIZED AVERAGE TITLE 2 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: MYOTROPHIN; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 ORGAN: HEART KEYWDS MYOTROPHIN, ACETYLATION, NMR, ANK-REPEAT EXPDTA SOLUTION NMR AUTHOR Y.YANG,S.NANDURI,S.SEN,J.QIN REVDAT 2 24-FEB-09 2MYO 1 VERSN REVDAT 1 17-AUG-99 2MYO 0 JRNL AUTH Y.YANG,S.NANDURI,S.SEN,J.QIN JRNL TITL THE STRUCTURAL BASIS OF ANKYRIN-LIKE REPEAT JRNL TITL 2 FUNCTION AS REVEALED BY THE SOLUTION STRUCTURE OF JRNL TITL 3 MYOTROPHIN. JRNL REF STRUCTURE V. 6 619 1998 JRNL REFN ISSN 0969-2126 JRNL PMID 9634699 JRNL DOI 10.1016/S0969-2126(98)00063-X REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Y.YANG,N.S.RAO,E.WALKER,S.SEN,J.QIN REMARK 1 TITL NUCLEAR MAGNETIC RESONANCE ASSIGNMENT AND REMARK 1 TITL 2 SECONDARY STRUCTURE OF AN ANKYRIN-LIKE REMARK 1 TITL 3 REPEAT-BEARING PROTEIN: MYOTROPHIN REMARK 1 REF PROTEIN SCI. V. 6 1347 1997 REMARK 1 REFN ISSN 0961-8368 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XPLOR REMARK 3 AUTHORS : JONES,ZOU,COWAN,KJELDGAARD REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2MYO 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) : 297 REMARK 210 PH : 6.2 REMARK 210 IONIC STRENGTH : 50 MM PHOSPHATE BUFFER REMARK 210 PRESSURE : 1ATM REMARK 210 SAMPLE CONTENTS : H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D- AND 4D-NOESY, 3D-TOCSY, REMARK 210 HNCACB, HNHA, C(CO)NH, H(CCO) REMARK 210 NH, HCCH-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA600 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XPLOR REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 90 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HIS A 80 N SER A 82 2.14 REMARK 500 REMARK 500 REMARK: NULL 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 11 -62.88 -90.87 REMARK 500 LYS A 24 -81.89 -61.43 REMARK 500 GLU A 26 98.06 34.86 REMARK 500 ASP A 27 56.67 -142.40 REMARK 500 VAL A 28 64.74 -106.05 REMARK 500 ASN A 29 34.45 -173.91 REMARK 500 THR A 31 97.10 -57.30 REMARK 500 LEU A 32 -86.14 -46.89 REMARK 500 GLU A 33 -73.63 -73.31 REMARK 500 PRO A 38 27.76 -66.65 REMARK 500 CYS A 45 60.71 -161.16 REMARK 500 GLN A 47 16.32 47.93 REMARK 500 LEU A 48 -3.38 62.86 REMARK 500 PHE A 53 -86.95 -61.79 REMARK 500 LEU A 54 -6.68 -53.30 REMARK 500 LYS A 57 -89.85 -67.86 REMARK 500 ALA A 59 59.91 175.13 REMARK 500 ASP A 60 6.21 -69.98 REMARK 500 ASN A 62 -25.38 -152.76 REMARK 500 PRO A 64 121.45 -27.74 REMARK 500 HIS A 68 25.85 38.28 REMARK 500 TYR A 77 38.23 -73.83 REMARK 500 VAL A 81 3.96 38.41 REMARK 500 VAL A 84 -28.97 -38.89 REMARK 500 LYS A 85 -72.46 -70.91 REMARK 500 LEU A 87 -71.69 -75.07 REMARK 500 LEU A 88 -15.67 -49.58 REMARK 500 ALA A 92 21.37 37.13 REMARK 500 ASP A 93 -126.10 35.40 REMARK 500 LYS A 94 -32.81 -158.76 REMARK 500 LYS A 97 5.36 -161.38 REMARK 500 ASP A 100 -125.94 -166.12 REMARK 500 THR A 103 -105.38 8.56 REMARK 500 LEU A 105 -72.97 -58.82 REMARK 500 THR A 108 -145.63 -147.43 REMARK 500 REMARK 500 REMARK: NULL DBREF 2MYO A 2 118 UNP P62775 MTPN_RAT 1 117 SEQRES 1 A 118 MET CYS ASP LYS GLU PHE MET TRP ALA LEU LYS ASN GLY SEQRES 2 A 118 ASP LEU ASP GLU VAL LYS ASP TYR VAL ALA LYS GLY GLU SEQRES 3 A 118 ASP VAL ASN ARG THR LEU GLU GLY GLY ARG LYS PRO LEU SEQRES 4 A 118 HIS TYR ALA ALA ASP CYS GLY GLN LEU GLU ILE LEU GLU SEQRES 5 A 118 PHE LEU LEU LEU LYS GLY ALA ASP ILE ASN ALA PRO ASP SEQRES 6 A 118 LYS HIS HIS ILE THR PRO LEU LEU SER ALA VAL TYR GLU SEQRES 7 A 118 GLY HIS VAL SER CYS VAL LYS LEU LEU LEU SER LYS GLY SEQRES 8 A 118 ALA ASP LYS THR VAL LYS GLY PRO ASP GLY LEU THR ALA SEQRES 9 A 118 LEU GLU ALA THR ASP ASN GLN ALA ILE LYS ALA LEU LEU SEQRES 10 A 118 GLN HELIX 1 1 ASP A 3 LYS A 11 1 9 HELIX 2 2 LEU A 15 VAL A 22 1 8 HELIX 3 3 HIS A 40 CYS A 45 1 6 HELIX 4 4 ILE A 50 LEU A 56 1 7 HELIX 5 5 ASP A 60 ALA A 63 1 4 HELIX 6 6 PRO A 71 GLU A 78 1 8 HELIX 7 7 SER A 82 LEU A 88 1 7 HELIX 8 8 LYS A 114 LEU A 116 5 3 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 94 LYS NZ :NH3+ 149:sc= -8.83! (180deg=-9.04!) USER MOD Set 1.2: A 95 THR OG1 : rot 80:sc= -1.93! USER MOD Set 2.1: A 37 LYS NZ :NH3+ -162:sc= -1.03 (180deg=-2.08) USER MOD Set 2.2: A 67 HIS : no HD1:sc= -2.94! C(o=-4!,f=-11!) USER MOD Set 3.1: A 40 HIS : no HD1:sc= -0.947! C(o=-1.2!,f=-12!) USER MOD Set 3.2: A 74 SER OG : rot 152:sc= -0.217 USER MOD Single : A 1 MET CE :methyl -164:sc= 0 (180deg=-0.441) USER MOD Single : A 1 MET N :NH3+ -145:sc= 0.013 (180deg=0) USER MOD Single : A 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 157:sc= -0.678 (180deg=-1.72!) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.082) USER MOD Single : A 12 ASN : amide:sc= -0.0045 X(o=-0.0045,f=-0.0045) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -3.89! K(o=-3.9!,f=-1.4) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0633 USER MOD Single : A 45 CYS SG : rot -19:sc= -3.55! USER MOD Single : A 47 GLN : amide:sc= -5.64! C(o=-5.6!,f=-4.1!) USER MOD Single : A 57 LYS NZ :NH3+ -142:sc= -0.0742 (180deg=-1.24) USER MOD Single : A 62 ASN : amide:sc= -10.3! K(o=-10!,f=-1.5) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 131:sc= -7.72! USER MOD Single : A 77 TYR OH : rot 120:sc= -1.16 USER MOD Single : A 80 HIS : no HD1:sc= -0.262 K(o=-0.26,f=-3.3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.144 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -137:sc= -1.78 (180deg=-2.92!) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.0977 (180deg=-0.784) USER MOD Single : A 103 THR OG1 : rot 80:sc= -3.16! USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.186! USER MOD Single : A 110 ASN : amide:sc= -16.5! C(o=-17!,f=-13!) USER MOD Single : A 111 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.4!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -2.88! C(o=-2.9!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.421 -10.270 80.796 1.00 3.94 N ATOM 2 CA MET A 1 -11.032 -10.166 82.158 1.00 3.45 C ATOM 3 C MET A 1 -10.085 -10.811 83.179 1.00 2.39 C ATOM 4 O MET A 1 -9.134 -11.467 82.818 1.00 2.71 O ATOM 5 CB MET A 1 -12.404 -10.878 82.154 1.00 3.83 C ATOM 6 CG MET A 1 -13.475 -10.018 82.839 1.00 4.54 C ATOM 7 SD MET A 1 -14.755 -11.100 83.524 1.00 5.18 S ATOM 8 CE MET A 1 -15.262 -11.928 81.989 1.00 6.11 C ATOM 0 H1 MET A 1 -10.661 -9.423 80.242 1.00 3.94 H new ATOM 0 H2 MET A 1 -9.387 -10.345 80.884 1.00 3.94 H new ATOM 0 H3 MET A 1 -10.790 -11.114 80.314 1.00 3.94 H new ATOM 0 HA MET A 1 -11.183 -9.121 82.430 1.00 3.45 H new ATOM 0 HB2 MET A 1 -12.704 -11.089 81.128 1.00 3.83 H new ATOM 0 HB3 MET A 1 -12.321 -11.837 82.666 1.00 3.83 H new ATOM 0 HG2 MET A 1 -13.026 -9.419 83.631 1.00 4.54 H new ATOM 0 HG3 MET A 1 -13.914 -9.323 82.123 1.00 4.54 H new ATOM 0 HE1 MET A 1 -16.222 -12.421 82.142 1.00 6.11 H new ATOM 0 HE2 MET A 1 -15.355 -11.191 81.192 1.00 6.11 H new ATOM 0 HE3 MET A 1 -14.513 -12.670 81.711 1.00 6.11 H new ATOM 20 N CYS A 2 -10.323 -10.608 84.447 1.00 1.78 N ATOM 21 CA CYS A 2 -9.415 -11.191 85.481 1.00 1.30 C ATOM 22 C CYS A 2 -8.020 -10.591 85.304 1.00 1.10 C ATOM 23 O CYS A 2 -7.057 -11.032 85.900 1.00 1.01 O ATOM 24 CB CYS A 2 -9.346 -12.711 85.316 1.00 1.86 C ATOM 25 SG CYS A 2 -10.886 -13.446 85.911 1.00 2.65 S ATOM 0 H CYS A 2 -11.105 -10.065 84.813 1.00 1.78 H new ATOM 0 HA CYS A 2 -9.796 -10.962 86.476 1.00 1.30 H new ATOM 0 HB2 CYS A 2 -9.188 -12.968 84.269 1.00 1.86 H new ATOM 0 HB3 CYS A 2 -8.499 -13.111 85.874 1.00 1.86 H new ATOM 0 HG CYS A 2 -10.833 -14.737 85.771 1.00 2.65 H new ATOM 31 N ASP A 3 -7.916 -9.577 84.488 1.00 1.08 N ATOM 32 CA ASP A 3 -6.600 -8.924 84.255 1.00 0.95 C ATOM 33 C ASP A 3 -6.028 -8.462 85.590 1.00 0.78 C ATOM 34 O ASP A 3 -4.833 -8.479 85.812 1.00 0.70 O ATOM 35 CB ASP A 3 -6.794 -7.712 83.336 1.00 1.06 C ATOM 36 CG ASP A 3 -6.866 -8.160 81.875 1.00 1.44 C ATOM 37 OD1 ASP A 3 -6.798 -9.354 81.636 1.00 1.94 O ATOM 38 OD2 ASP A 3 -6.989 -7.299 81.018 1.00 1.99 O ATOM 0 H ASP A 3 -8.695 -9.171 83.969 1.00 1.08 H new ATOM 0 HA ASP A 3 -5.914 -9.630 83.788 1.00 0.95 H new ATOM 0 HB2 ASP A 3 -7.708 -7.184 83.607 1.00 1.06 H new ATOM 0 HB3 ASP A 3 -5.970 -7.011 83.468 1.00 1.06 H new ATOM 43 N LYS A 4 -6.884 -8.056 86.478 1.00 0.79 N ATOM 44 CA LYS A 4 -6.422 -7.597 87.811 1.00 0.72 C ATOM 45 C LYS A 4 -5.999 -8.818 88.631 1.00 0.63 C ATOM 46 O LYS A 4 -4.890 -8.899 89.114 1.00 0.56 O ATOM 47 CB LYS A 4 -7.568 -6.863 88.515 1.00 0.87 C ATOM 48 CG LYS A 4 -8.235 -5.897 87.531 1.00 1.04 C ATOM 49 CD LYS A 4 -9.365 -5.145 88.237 1.00 1.39 C ATOM 50 CE LYS A 4 -10.018 -4.165 87.259 1.00 1.95 C ATOM 51 NZ LYS A 4 -11.168 -3.488 87.924 1.00 2.60 N ATOM 0 H LYS A 4 -7.894 -8.022 86.336 1.00 0.79 H new ATOM 0 HA LYS A 4 -5.576 -6.918 87.706 1.00 0.72 H new ATOM 0 HB2 LYS A 4 -8.299 -7.580 88.889 1.00 0.87 H new ATOM 0 HB3 LYS A 4 -7.188 -6.316 89.378 1.00 0.87 H new ATOM 0 HG2 LYS A 4 -7.500 -5.191 87.145 1.00 1.04 H new ATOM 0 HG3 LYS A 4 -8.629 -6.447 86.676 1.00 1.04 H new ATOM 0 HD2 LYS A 4 -10.107 -5.850 88.611 1.00 1.39 H new ATOM 0 HD3 LYS A 4 -8.974 -4.607 89.100 1.00 1.39 H new ATOM 0 HE2 LYS A 4 -9.289 -3.425 86.928 1.00 1.95 H new ATOM 0 HE3 LYS A 4 -10.359 -4.696 86.370 1.00 1.95 H new ATOM 0 HZ1 LYS A 4 -11.611 -2.822 87.259 1.00 2.60 H new ATOM 0 HZ2 LYS A 4 -11.867 -4.200 88.219 1.00 2.60 H new ATOM 0 HZ3 LYS A 4 -10.830 -2.969 88.759 1.00 2.60 H new ATOM 65 N GLU A 5 -6.875 -9.777 88.780 1.00 0.74 N ATOM 66 CA GLU A 5 -6.522 -10.999 89.559 1.00 0.75 C ATOM 67 C GLU A 5 -5.202 -11.573 89.028 1.00 0.66 C ATOM 68 O GLU A 5 -4.451 -12.197 89.752 1.00 0.64 O ATOM 69 CB GLU A 5 -7.637 -12.040 89.410 1.00 0.94 C ATOM 70 CG GLU A 5 -7.610 -13.000 90.601 1.00 1.28 C ATOM 71 CD GLU A 5 -8.759 -14.000 90.471 1.00 1.94 C ATOM 72 OE1 GLU A 5 -8.777 -14.727 89.492 1.00 2.45 O ATOM 73 OE2 GLU A 5 -9.604 -14.021 91.352 1.00 2.65 O ATOM 0 H GLU A 5 -7.820 -9.766 88.396 1.00 0.74 H new ATOM 0 HA GLU A 5 -6.409 -10.744 90.613 1.00 0.75 H new ATOM 0 HB2 GLU A 5 -8.606 -11.544 89.353 1.00 0.94 H new ATOM 0 HB3 GLU A 5 -7.508 -12.595 88.481 1.00 0.94 H new ATOM 0 HG2 GLU A 5 -6.656 -13.527 90.636 1.00 1.28 H new ATOM 0 HG3 GLU A 5 -7.701 -12.443 91.534 1.00 1.28 H new ATOM 80 N PHE A 6 -4.912 -11.366 87.770 1.00 0.73 N ATOM 81 CA PHE A 6 -3.643 -11.902 87.200 1.00 0.75 C ATOM 82 C PHE A 6 -2.474 -11.007 87.621 1.00 0.62 C ATOM 83 O PHE A 6 -1.494 -11.473 88.163 1.00 0.63 O ATOM 84 CB PHE A 6 -3.740 -11.944 85.669 1.00 0.92 C ATOM 85 CG PHE A 6 -2.418 -12.381 85.066 1.00 0.92 C ATOM 86 CD1 PHE A 6 -1.634 -13.362 85.696 1.00 0.99 C ATOM 87 CD2 PHE A 6 -1.979 -11.805 83.867 1.00 1.40 C ATOM 88 CE1 PHE A 6 -0.418 -13.758 85.127 1.00 1.01 C ATOM 89 CE2 PHE A 6 -0.762 -12.204 83.300 1.00 1.69 C ATOM 90 CZ PHE A 6 0.018 -13.179 83.930 1.00 1.33 C ATOM 0 H PHE A 6 -5.499 -10.850 87.115 1.00 0.73 H new ATOM 0 HA PHE A 6 -3.477 -12.912 87.575 1.00 0.75 H new ATOM 0 HB2 PHE A 6 -4.530 -12.632 85.367 1.00 0.92 H new ATOM 0 HB3 PHE A 6 -4.013 -10.960 85.289 1.00 0.92 H new ATOM 0 HD1 PHE A 6 -1.970 -13.811 86.619 1.00 0.99 H new ATOM 0 HD2 PHE A 6 -2.580 -11.052 83.379 1.00 1.40 H new ATOM 0 HE1 PHE A 6 0.185 -14.511 85.612 1.00 1.01 H new ATOM 0 HE2 PHE A 6 -0.426 -11.758 82.376 1.00 1.69 H new ATOM 0 HZ PHE A 6 0.957 -13.485 83.493 1.00 1.33 H new ATOM 100 N MET A 7 -2.563 -9.724 87.387 1.00 0.60 N ATOM 101 CA MET A 7 -1.443 -8.827 87.794 1.00 0.59 C ATOM 102 C MET A 7 -1.447 -8.685 89.317 1.00 0.46 C ATOM 103 O MET A 7 -0.413 -8.648 89.953 1.00 0.50 O ATOM 104 CB MET A 7 -1.601 -7.449 87.128 1.00 0.76 C ATOM 105 CG MET A 7 -2.388 -6.495 88.034 1.00 0.80 C ATOM 106 SD MET A 7 -2.544 -4.881 87.227 1.00 1.21 S ATOM 107 CE MET A 7 -3.513 -5.415 85.796 1.00 0.91 C ATOM 0 H MET A 7 -3.354 -9.263 86.937 1.00 0.60 H new ATOM 0 HA MET A 7 -0.494 -9.256 87.473 1.00 0.59 H new ATOM 0 HB2 MET A 7 -0.618 -7.028 86.915 1.00 0.76 H new ATOM 0 HB3 MET A 7 -2.115 -7.558 86.173 1.00 0.76 H new ATOM 0 HG2 MET A 7 -3.376 -6.906 88.241 1.00 0.80 H new ATOM 0 HG3 MET A 7 -1.881 -6.386 88.993 1.00 0.80 H new ATOM 0 HE1 MET A 7 -4.060 -4.564 85.389 1.00 0.91 H new ATOM 0 HE2 MET A 7 -2.845 -5.816 85.033 1.00 0.91 H new ATOM 0 HE3 MET A 7 -4.219 -6.187 86.102 1.00 0.91 H new ATOM 117 N TRP A 8 -2.608 -8.603 89.903 1.00 0.41 N ATOM 118 CA TRP A 8 -2.690 -8.463 91.381 1.00 0.40 C ATOM 119 C TRP A 8 -1.930 -9.616 92.033 1.00 0.34 C ATOM 120 O TRP A 8 -1.627 -9.590 93.209 1.00 0.38 O ATOM 121 CB TRP A 8 -4.159 -8.503 91.810 1.00 0.49 C ATOM 122 CG TRP A 8 -4.286 -8.062 93.233 1.00 0.59 C ATOM 123 CD1 TRP A 8 -4.282 -8.888 94.305 1.00 0.70 C ATOM 124 CD2 TRP A 8 -4.443 -6.711 93.759 1.00 0.97 C ATOM 125 NE1 TRP A 8 -4.426 -8.131 95.453 1.00 0.79 N ATOM 126 CE2 TRP A 8 -4.529 -6.785 95.169 1.00 1.04 C ATOM 127 CE3 TRP A 8 -4.519 -5.443 93.154 1.00 1.42 C ATOM 128 CZ2 TRP A 8 -4.682 -5.641 95.952 1.00 1.49 C ATOM 129 CZ3 TRP A 8 -4.674 -4.289 93.941 1.00 1.92 C ATOM 130 CH2 TRP A 8 -4.757 -4.389 95.336 1.00 1.94 C ATOM 0 H TRP A 8 -3.506 -8.627 89.420 1.00 0.41 H new ATOM 0 HA TRP A 8 -2.250 -7.515 91.692 1.00 0.40 H new ATOM 0 HB2 TRP A 8 -4.753 -7.855 91.165 1.00 0.49 H new ATOM 0 HB3 TRP A 8 -4.553 -9.513 91.697 1.00 0.49 H new ATOM 0 HD1 TRP A 8 -4.183 -9.963 94.270 1.00 0.70 H new ATOM 0 HE1 TRP A 8 -4.453 -8.520 96.395 1.00 0.79 H new ATOM 0 HE3 TRP A 8 -4.458 -5.356 92.079 1.00 1.42 H new ATOM 0 HZ2 TRP A 8 -4.742 -5.722 97.027 1.00 1.49 H new ATOM 0 HZ3 TRP A 8 -4.729 -3.320 93.468 1.00 1.92 H new ATOM 0 HH2 TRP A 8 -4.879 -3.499 95.935 1.00 1.94 H new ATOM 141 N ALA A 9 -1.614 -10.627 91.274 1.00 0.30 N ATOM 142 CA ALA A 9 -0.870 -11.779 91.842 1.00 0.28 C ATOM 143 C ALA A 9 0.610 -11.415 91.949 1.00 0.27 C ATOM 144 O ALA A 9 1.223 -11.568 92.987 1.00 0.30 O ATOM 145 CB ALA A 9 -1.036 -12.999 90.935 1.00 0.32 C ATOM 0 H ALA A 9 -1.841 -10.703 90.282 1.00 0.30 H new ATOM 0 HA ALA A 9 -1.262 -12.016 92.831 1.00 0.28 H new ATOM 0 HB1 ALA A 9 -0.488 -13.842 91.356 1.00 0.32 H new ATOM 0 HB2 ALA A 9 -2.093 -13.254 90.859 1.00 0.32 H new ATOM 0 HB3 ALA A 9 -0.645 -12.771 89.943 1.00 0.32 H new ATOM 151 N LEU A 10 1.186 -10.928 90.885 1.00 0.28 N ATOM 152 CA LEU A 10 2.624 -10.548 90.925 1.00 0.32 C ATOM 153 C LEU A 10 2.816 -9.407 91.930 1.00 0.36 C ATOM 154 O LEU A 10 3.925 -9.039 92.265 1.00 0.50 O ATOM 155 CB LEU A 10 3.079 -10.082 89.533 1.00 0.32 C ATOM 156 CG LEU A 10 2.912 -11.222 88.505 1.00 0.42 C ATOM 157 CD1 LEU A 10 1.642 -10.997 87.677 1.00 0.65 C ATOM 158 CD2 LEU A 10 4.122 -11.258 87.558 1.00 0.47 C ATOM 0 H LEU A 10 0.722 -10.777 89.989 1.00 0.28 H new ATOM 0 HA LEU A 10 3.218 -11.411 91.227 1.00 0.32 H new ATOM 0 HB2 LEU A 10 2.495 -9.215 89.223 1.00 0.32 H new ATOM 0 HB3 LEU A 10 4.122 -9.767 89.570 1.00 0.32 H new ATOM 0 HG LEU A 10 2.839 -12.167 89.043 1.00 0.42 H new ATOM 0 HD11 LEU A 10 1.531 -11.805 86.954 1.00 0.65 H new ATOM 0 HD12 LEU A 10 0.775 -10.980 88.338 1.00 0.65 H new ATOM 0 HD13 LEU A 10 1.715 -10.046 87.150 1.00 0.65 H new ATOM 0 HD21 LEU A 10 3.995 -12.065 86.836 1.00 0.47 H new ATOM 0 HD22 LEU A 10 4.199 -10.308 87.030 1.00 0.47 H new ATOM 0 HD23 LEU A 10 5.031 -11.427 88.135 1.00 0.47 H new ATOM 170 N LYS A 11 1.740 -8.831 92.395 1.00 0.35 N ATOM 171 CA LYS A 11 1.850 -7.695 93.359 1.00 0.42 C ATOM 172 C LYS A 11 1.847 -8.187 94.814 1.00 0.37 C ATOM 173 O LYS A 11 2.791 -7.971 95.549 1.00 0.39 O ATOM 174 CB LYS A 11 0.668 -6.747 93.147 1.00 0.58 C ATOM 175 CG LYS A 11 0.666 -5.679 94.244 1.00 0.68 C ATOM 176 CD LYS A 11 -0.340 -4.576 93.892 1.00 1.18 C ATOM 177 CE LYS A 11 -0.850 -3.924 95.178 1.00 1.59 C ATOM 178 NZ LYS A 11 0.287 -3.269 95.887 1.00 2.20 N ATOM 0 H LYS A 11 0.787 -9.098 92.149 1.00 0.35 H new ATOM 0 HA LYS A 11 2.794 -7.182 93.177 1.00 0.42 H new ATOM 0 HB2 LYS A 11 0.737 -6.276 92.166 1.00 0.58 H new ATOM 0 HB3 LYS A 11 -0.268 -7.306 93.167 1.00 0.58 H new ATOM 0 HG2 LYS A 11 0.406 -6.129 95.202 1.00 0.68 H new ATOM 0 HG3 LYS A 11 1.664 -5.253 94.352 1.00 0.68 H new ATOM 0 HD2 LYS A 11 0.132 -3.828 93.255 1.00 1.18 H new ATOM 0 HD3 LYS A 11 -1.174 -4.995 93.328 1.00 1.18 H new ATOM 0 HE2 LYS A 11 -1.620 -3.188 94.945 1.00 1.59 H new ATOM 0 HE3 LYS A 11 -1.310 -4.674 95.821 1.00 1.59 H new ATOM 0 HZ1 LYS A 11 -0.082 -2.633 96.622 1.00 2.20 H new ATOM 0 HZ2 LYS A 11 0.886 -3.996 96.327 1.00 2.20 H new ATOM 0 HZ3 LYS A 11 0.851 -2.721 95.206 1.00 2.20 H new ATOM 192 N ASN A 12 0.780 -8.803 95.255 1.00 0.44 N ATOM 193 CA ASN A 12 0.712 -9.248 96.682 1.00 0.51 C ATOM 194 C ASN A 12 1.478 -10.560 96.892 1.00 0.46 C ATOM 195 O ASN A 12 1.397 -11.167 97.941 1.00 0.64 O ATOM 196 CB ASN A 12 -0.754 -9.444 97.086 1.00 0.67 C ATOM 197 CG ASN A 12 -0.907 -9.244 98.597 1.00 1.16 C ATOM 198 OD1 ASN A 12 -1.068 -10.198 99.334 1.00 1.93 O ATOM 199 ND2 ASN A 12 -0.862 -8.039 99.092 1.00 1.70 N ATOM 0 H ASN A 12 -0.044 -9.017 94.693 1.00 0.44 H new ATOM 0 HA ASN A 12 1.173 -8.479 97.302 1.00 0.51 H new ATOM 0 HB2 ASN A 12 -1.386 -8.736 96.550 1.00 0.67 H new ATOM 0 HB3 ASN A 12 -1.087 -10.443 96.807 1.00 0.67 H new ATOM 0 HD21 ASN A 12 -0.962 -7.896 100.097 1.00 1.70 H new ATOM 0 HD22 ASN A 12 -0.727 -7.239 98.474 1.00 1.70 H new ATOM 206 N GLY A 13 2.240 -10.992 95.929 1.00 0.31 N ATOM 207 CA GLY A 13 3.020 -12.243 96.115 1.00 0.29 C ATOM 208 C GLY A 13 2.113 -13.472 96.010 1.00 0.26 C ATOM 209 O GLY A 13 2.465 -14.547 96.456 1.00 0.28 O ATOM 0 H GLY A 13 2.356 -10.535 95.025 1.00 0.31 H new ATOM 0 HA2 GLY A 13 3.807 -12.301 95.363 1.00 0.29 H new ATOM 0 HA3 GLY A 13 3.510 -12.230 97.089 1.00 0.29 H new ATOM 213 N ASP A 14 0.958 -13.334 95.426 1.00 0.24 N ATOM 214 CA ASP A 14 0.053 -14.506 95.299 1.00 0.23 C ATOM 215 C ASP A 14 0.644 -15.488 94.295 1.00 0.22 C ATOM 216 O ASP A 14 -0.004 -15.932 93.368 1.00 0.28 O ATOM 217 CB ASP A 14 -1.314 -14.047 94.823 1.00 0.28 C ATOM 218 CG ASP A 14 -1.610 -12.653 95.377 1.00 0.73 C ATOM 219 OD1 ASP A 14 -0.896 -11.733 95.017 1.00 1.40 O ATOM 220 OD2 ASP A 14 -2.542 -12.531 96.155 1.00 1.45 O ATOM 0 H ASP A 14 0.602 -12.463 95.032 1.00 0.24 H new ATOM 0 HA ASP A 14 -0.053 -14.994 96.268 1.00 0.23 H new ATOM 0 HB2 ASP A 14 -1.344 -14.030 93.734 1.00 0.28 H new ATOM 0 HB3 ASP A 14 -2.079 -14.750 95.152 1.00 0.28 H new ATOM 225 N LEU A 15 1.877 -15.817 94.493 1.00 0.21 N ATOM 226 CA LEU A 15 2.583 -16.767 93.591 1.00 0.20 C ATOM 227 C LEU A 15 1.654 -17.939 93.254 1.00 0.22 C ATOM 228 O LEU A 15 1.756 -18.554 92.213 1.00 0.23 O ATOM 229 CB LEU A 15 3.839 -17.250 94.340 1.00 0.23 C ATOM 230 CG LEU A 15 4.771 -18.110 93.463 1.00 0.25 C ATOM 231 CD1 LEU A 15 4.350 -19.579 93.516 1.00 0.31 C ATOM 232 CD2 LEU A 15 4.770 -17.630 92.008 1.00 0.23 C ATOM 0 H LEU A 15 2.446 -15.461 95.261 1.00 0.21 H new ATOM 0 HA LEU A 15 2.868 -16.294 92.652 1.00 0.20 H new ATOM 0 HB2 LEU A 15 4.391 -16.385 94.707 1.00 0.23 H new ATOM 0 HB3 LEU A 15 3.535 -17.828 95.213 1.00 0.23 H new ATOM 0 HG LEU A 15 5.781 -18.007 93.860 1.00 0.25 H new ATOM 0 HD11 LEU A 15 5.018 -20.172 92.891 1.00 0.31 H new ATOM 0 HD12 LEU A 15 4.403 -19.936 94.545 1.00 0.31 H new ATOM 0 HD13 LEU A 15 3.328 -19.678 93.150 1.00 0.31 H new ATOM 0 HD21 LEU A 15 5.437 -18.258 91.417 1.00 0.23 H new ATOM 0 HD22 LEU A 15 3.759 -17.694 91.604 1.00 0.23 H new ATOM 0 HD23 LEU A 15 5.113 -16.596 91.966 1.00 0.23 H new ATOM 244 N ASP A 16 0.740 -18.240 94.126 1.00 0.25 N ATOM 245 CA ASP A 16 -0.204 -19.354 93.874 1.00 0.28 C ATOM 246 C ASP A 16 -1.118 -19.019 92.687 1.00 0.26 C ATOM 247 O ASP A 16 -1.527 -19.888 91.940 1.00 0.28 O ATOM 248 CB ASP A 16 -1.050 -19.562 95.127 1.00 0.33 C ATOM 249 CG ASP A 16 -0.135 -19.854 96.318 1.00 0.44 C ATOM 250 OD1 ASP A 16 0.518 -18.932 96.778 1.00 1.13 O ATOM 251 OD2 ASP A 16 -0.101 -20.995 96.748 1.00 1.20 O ATOM 0 H ASP A 16 0.606 -17.755 95.013 1.00 0.25 H new ATOM 0 HA ASP A 16 0.353 -20.260 93.637 1.00 0.28 H new ATOM 0 HB2 ASP A 16 -1.650 -18.674 95.325 1.00 0.33 H new ATOM 0 HB3 ASP A 16 -1.744 -20.389 94.977 1.00 0.33 H new ATOM 256 N GLU A 17 -1.459 -17.768 92.518 1.00 0.24 N ATOM 257 CA GLU A 17 -2.369 -17.385 91.395 1.00 0.26 C ATOM 258 C GLU A 17 -1.605 -17.357 90.065 1.00 0.24 C ATOM 259 O GLU A 17 -2.083 -17.851 89.061 1.00 0.27 O ATOM 260 CB GLU A 17 -2.968 -16.000 91.672 1.00 0.28 C ATOM 261 CG GLU A 17 -4.316 -16.150 92.385 1.00 0.82 C ATOM 262 CD GLU A 17 -4.707 -14.818 93.030 1.00 1.44 C ATOM 263 OE1 GLU A 17 -3.942 -14.332 93.846 1.00 2.15 O ATOM 264 OE2 GLU A 17 -5.764 -14.309 92.697 1.00 2.16 O ATOM 0 H GLU A 17 -1.148 -16.996 93.107 1.00 0.24 H new ATOM 0 HA GLU A 17 -3.166 -18.125 91.323 1.00 0.26 H new ATOM 0 HB2 GLU A 17 -2.284 -15.414 92.287 1.00 0.28 H new ATOM 0 HB3 GLU A 17 -3.100 -15.457 90.736 1.00 0.28 H new ATOM 0 HG2 GLU A 17 -5.082 -16.460 91.674 1.00 0.82 H new ATOM 0 HG3 GLU A 17 -4.252 -16.929 93.145 1.00 0.82 H new ATOM 271 N VAL A 18 -0.430 -16.789 90.034 1.00 0.22 N ATOM 272 CA VAL A 18 0.322 -16.749 88.748 1.00 0.23 C ATOM 273 C VAL A 18 0.773 -18.167 88.397 1.00 0.26 C ATOM 274 O VAL A 18 0.953 -18.504 87.243 1.00 0.32 O ATOM 275 CB VAL A 18 1.544 -15.828 88.882 1.00 0.23 C ATOM 276 CG1 VAL A 18 1.142 -14.360 88.644 1.00 0.31 C ATOM 277 CG2 VAL A 18 2.130 -15.976 90.286 1.00 0.21 C ATOM 0 H VAL A 18 0.036 -16.357 90.831 1.00 0.22 H new ATOM 0 HA VAL A 18 -0.320 -16.360 87.958 1.00 0.23 H new ATOM 0 HB VAL A 18 2.286 -16.111 88.136 1.00 0.23 H new ATOM 0 HG11 VAL A 18 2.020 -13.722 88.743 1.00 0.31 H new ATOM 0 HG12 VAL A 18 0.728 -14.254 87.641 1.00 0.31 H new ATOM 0 HG13 VAL A 18 0.394 -14.064 89.379 1.00 0.31 H new ATOM 0 HG21 VAL A 18 2.998 -15.325 90.388 1.00 0.21 H new ATOM 0 HG22 VAL A 18 1.379 -15.698 91.025 1.00 0.21 H new ATOM 0 HG23 VAL A 18 2.432 -17.011 90.447 1.00 0.21 H new ATOM 287 N LYS A 19 0.941 -19.006 89.381 1.00 0.26 N ATOM 288 CA LYS A 19 1.362 -20.405 89.097 1.00 0.30 C ATOM 289 C LYS A 19 0.264 -21.093 88.289 1.00 0.30 C ATOM 290 O LYS A 19 0.513 -22.002 87.524 1.00 0.33 O ATOM 291 CB LYS A 19 1.579 -21.154 90.416 1.00 0.35 C ATOM 292 CG LYS A 19 1.977 -22.607 90.125 1.00 0.61 C ATOM 293 CD LYS A 19 2.723 -23.196 91.330 1.00 0.78 C ATOM 294 CE LYS A 19 4.140 -22.614 91.406 1.00 0.55 C ATOM 295 NZ LYS A 19 5.036 -23.580 92.101 1.00 1.34 N ATOM 0 H LYS A 19 0.805 -18.784 90.367 1.00 0.26 H new ATOM 0 HA LYS A 19 2.294 -20.406 88.531 1.00 0.30 H new ATOM 0 HB2 LYS A 19 2.357 -20.663 91.000 1.00 0.35 H new ATOM 0 HB3 LYS A 19 0.668 -21.129 91.014 1.00 0.35 H new ATOM 0 HG2 LYS A 19 1.088 -23.201 89.911 1.00 0.61 H new ATOM 0 HG3 LYS A 19 2.610 -22.649 89.238 1.00 0.61 H new ATOM 0 HD2 LYS A 19 2.180 -22.973 92.248 1.00 0.78 H new ATOM 0 HD3 LYS A 19 2.771 -24.281 91.243 1.00 0.78 H new ATOM 0 HE2 LYS A 19 4.515 -22.410 90.403 1.00 0.55 H new ATOM 0 HE3 LYS A 19 4.127 -21.664 91.941 1.00 0.55 H new ATOM 0 HZ1 LYS A 19 5.997 -23.186 92.153 1.00 1.34 H new ATOM 0 HZ2 LYS A 19 4.680 -23.753 93.063 1.00 1.34 H new ATOM 0 HZ3 LYS A 19 5.057 -24.476 91.573 1.00 1.34 H new ATOM 309 N ASP A 20 -0.951 -20.659 88.460 1.00 0.30 N ATOM 310 CA ASP A 20 -2.082 -21.271 87.713 1.00 0.34 C ATOM 311 C ASP A 20 -1.985 -20.916 86.223 1.00 0.34 C ATOM 312 O ASP A 20 -2.123 -21.765 85.361 1.00 0.33 O ATOM 313 CB ASP A 20 -3.405 -20.743 88.275 1.00 0.41 C ATOM 314 CG ASP A 20 -4.554 -21.648 87.823 1.00 0.67 C ATOM 315 OD1 ASP A 20 -4.474 -22.840 88.066 1.00 1.47 O ATOM 316 OD2 ASP A 20 -5.495 -21.131 87.243 1.00 1.20 O ATOM 0 H ASP A 20 -1.211 -19.900 89.090 1.00 0.30 H new ATOM 0 HA ASP A 20 -2.038 -22.354 87.824 1.00 0.34 H new ATOM 0 HB2 ASP A 20 -3.362 -20.710 89.364 1.00 0.41 H new ATOM 0 HB3 ASP A 20 -3.576 -19.723 87.932 1.00 0.41 H new ATOM 321 N TYR A 21 -1.764 -19.666 85.910 1.00 0.40 N ATOM 322 CA TYR A 21 -1.679 -19.261 84.474 1.00 0.46 C ATOM 323 C TYR A 21 -0.517 -19.984 83.785 1.00 0.41 C ATOM 324 O TYR A 21 -0.691 -20.610 82.760 1.00 0.42 O ATOM 325 CB TYR A 21 -1.468 -17.748 84.379 1.00 0.62 C ATOM 326 CG TYR A 21 -2.746 -17.037 84.753 1.00 0.89 C ATOM 327 CD1 TYR A 21 -3.063 -16.837 86.100 1.00 1.05 C ATOM 328 CD2 TYR A 21 -3.612 -16.579 83.754 1.00 1.52 C ATOM 329 CE1 TYR A 21 -4.245 -16.175 86.449 1.00 1.70 C ATOM 330 CE2 TYR A 21 -4.795 -15.918 84.103 1.00 2.18 C ATOM 331 CZ TYR A 21 -5.112 -15.717 85.451 1.00 2.24 C ATOM 332 OH TYR A 21 -6.277 -15.064 85.796 1.00 2.96 O ATOM 0 H TYR A 21 -1.639 -18.910 86.583 1.00 0.40 H new ATOM 0 HA TYR A 21 -2.610 -19.533 83.976 1.00 0.46 H new ATOM 0 HB2 TYR A 21 -0.660 -17.440 85.043 1.00 0.62 H new ATOM 0 HB3 TYR A 21 -1.170 -17.474 83.367 1.00 0.62 H new ATOM 0 HD1 TYR A 21 -2.396 -17.193 86.871 1.00 1.05 H new ATOM 0 HD2 TYR A 21 -3.367 -16.736 82.714 1.00 1.52 H new ATOM 0 HE1 TYR A 21 -4.488 -16.017 87.489 1.00 1.70 H new ATOM 0 HE2 TYR A 21 -5.463 -15.563 83.332 1.00 2.18 H new ATOM 0 HH TYR A 21 -6.763 -14.811 84.984 1.00 2.96 H new ATOM 342 N VAL A 22 0.667 -19.897 84.325 1.00 0.43 N ATOM 343 CA VAL A 22 1.825 -20.577 83.680 1.00 0.49 C ATOM 344 C VAL A 22 1.622 -22.096 83.732 1.00 0.46 C ATOM 345 O VAL A 22 2.189 -22.830 82.947 1.00 0.53 O ATOM 346 CB VAL A 22 3.127 -20.164 84.398 1.00 0.63 C ATOM 347 CG1 VAL A 22 3.907 -21.395 84.870 1.00 0.88 C ATOM 348 CG2 VAL A 22 4.011 -19.364 83.436 1.00 1.59 C ATOM 0 H VAL A 22 0.882 -19.387 85.181 1.00 0.43 H new ATOM 0 HA VAL A 22 1.899 -20.278 82.634 1.00 0.49 H new ATOM 0 HB VAL A 22 2.860 -19.558 85.264 1.00 0.63 H new ATOM 0 HG11 VAL A 22 4.820 -21.076 85.373 1.00 0.88 H new ATOM 0 HG12 VAL A 22 3.293 -21.971 85.563 1.00 0.88 H new ATOM 0 HG13 VAL A 22 4.163 -22.015 84.011 1.00 0.88 H new ATOM 0 HG21 VAL A 22 4.930 -19.073 83.944 1.00 1.59 H new ATOM 0 HG22 VAL A 22 4.254 -19.978 82.569 1.00 1.59 H new ATOM 0 HG23 VAL A 22 3.478 -18.471 83.110 1.00 1.59 H new ATOM 358 N ALA A 23 0.813 -22.576 84.638 1.00 0.42 N ATOM 359 CA ALA A 23 0.583 -24.043 84.708 1.00 0.47 C ATOM 360 C ALA A 23 -0.014 -24.482 83.374 1.00 0.47 C ATOM 361 O ALA A 23 0.005 -25.642 83.014 1.00 0.54 O ATOM 362 CB ALA A 23 -0.389 -24.362 85.852 1.00 0.48 C ATOM 0 H ALA A 23 0.306 -22.019 85.326 1.00 0.42 H new ATOM 0 HA ALA A 23 1.518 -24.571 84.897 1.00 0.47 H new ATOM 0 HB1 ALA A 23 -0.555 -25.438 85.899 1.00 0.48 H new ATOM 0 HB2 ALA A 23 0.034 -24.018 86.796 1.00 0.48 H new ATOM 0 HB3 ALA A 23 -1.338 -23.856 85.675 1.00 0.48 H new ATOM 368 N LYS A 24 -0.529 -23.541 82.635 1.00 0.44 N ATOM 369 CA LYS A 24 -1.115 -23.853 81.309 1.00 0.48 C ATOM 370 C LYS A 24 -0.032 -24.433 80.407 1.00 0.50 C ATOM 371 O LYS A 24 0.089 -25.631 80.248 1.00 0.55 O ATOM 372 CB LYS A 24 -1.649 -22.564 80.687 1.00 0.50 C ATOM 373 CG LYS A 24 -2.899 -22.112 81.449 1.00 0.97 C ATOM 374 CD LYS A 24 -4.143 -22.754 80.818 1.00 1.56 C ATOM 375 CE LYS A 24 -5.234 -22.959 81.880 1.00 1.81 C ATOM 376 NZ LYS A 24 -6.579 -22.823 81.248 1.00 2.52 N ATOM 0 H LYS A 24 -0.568 -22.557 82.900 1.00 0.44 H new ATOM 0 HA LYS A 24 -1.925 -24.574 81.421 1.00 0.48 H new ATOM 0 HB2 LYS A 24 -0.886 -21.786 80.723 1.00 0.50 H new ATOM 0 HB3 LYS A 24 -1.889 -22.726 79.636 1.00 0.50 H new ATOM 0 HG2 LYS A 24 -2.822 -22.398 82.498 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -2.983 -21.026 81.420 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -4.521 -22.120 80.016 1.00 1.56 H new ATOM 0 HD3 LYS A 24 -3.878 -23.711 80.369 1.00 1.56 H new ATOM 0 HE2 LYS A 24 -5.133 -23.944 82.335 1.00 1.81 H new ATOM 0 HE3 LYS A 24 -5.121 -22.226 82.679 1.00 1.81 H new ATOM 0 HZ1 LYS A 24 -7.317 -22.962 81.968 1.00 2.52 H new ATOM 0 HZ2 LYS A 24 -6.674 -21.874 80.834 1.00 2.52 H new ATOM 0 HZ3 LYS A 24 -6.685 -23.539 80.501 1.00 2.52 H new ATOM 390 N GLY A 25 0.758 -23.585 79.815 1.00 0.48 N ATOM 391 CA GLY A 25 1.838 -24.080 78.920 1.00 0.52 C ATOM 392 C GLY A 25 2.866 -22.977 78.662 1.00 0.48 C ATOM 393 O GLY A 25 2.808 -22.286 77.668 1.00 0.53 O ATOM 0 H GLY A 25 0.703 -22.571 79.912 1.00 0.48 H new ATOM 0 HA2 GLY A 25 2.327 -24.943 79.373 1.00 0.52 H new ATOM 0 HA3 GLY A 25 1.410 -24.415 77.975 1.00 0.52 H new ATOM 397 N GLU A 26 3.812 -22.828 79.550 1.00 0.48 N ATOM 398 CA GLU A 26 4.880 -21.787 79.383 1.00 0.48 C ATOM 399 C GLU A 26 4.316 -20.529 78.711 1.00 0.46 C ATOM 400 O GLU A 26 4.198 -20.459 77.504 1.00 0.69 O ATOM 401 CB GLU A 26 6.038 -22.346 78.542 1.00 0.60 C ATOM 402 CG GLU A 26 5.495 -23.168 77.372 1.00 0.64 C ATOM 403 CD GLU A 26 6.655 -23.621 76.484 1.00 1.27 C ATOM 404 OE1 GLU A 26 7.785 -23.557 76.939 1.00 1.96 O ATOM 405 OE2 GLU A 26 6.393 -24.025 75.363 1.00 1.93 O ATOM 0 H GLU A 26 3.895 -23.389 80.398 1.00 0.48 H new ATOM 0 HA GLU A 26 5.249 -21.518 80.373 1.00 0.48 H new ATOM 0 HB2 GLU A 26 6.652 -21.527 78.166 1.00 0.60 H new ATOM 0 HB3 GLU A 26 6.682 -22.968 79.164 1.00 0.60 H new ATOM 0 HG2 GLU A 26 4.949 -24.034 77.745 1.00 0.64 H new ATOM 0 HG3 GLU A 26 4.790 -22.573 76.792 1.00 0.64 H new ATOM 412 N ASP A 27 3.979 -19.530 79.484 1.00 0.38 N ATOM 413 CA ASP A 27 3.431 -18.272 78.892 1.00 0.45 C ATOM 414 C ASP A 27 3.965 -17.065 79.675 1.00 0.43 C ATOM 415 O ASP A 27 3.208 -16.268 80.193 1.00 0.58 O ATOM 416 CB ASP A 27 1.902 -18.298 78.977 1.00 0.57 C ATOM 417 CG ASP A 27 1.334 -19.125 77.822 1.00 1.06 C ATOM 418 OD1 ASP A 27 1.927 -20.138 77.497 1.00 1.74 O ATOM 419 OD2 ASP A 27 0.313 -18.730 77.284 1.00 1.66 O ATOM 0 H ASP A 27 4.059 -19.530 80.501 1.00 0.38 H new ATOM 0 HA ASP A 27 3.739 -18.194 77.849 1.00 0.45 H new ATOM 0 HB2 ASP A 27 1.589 -18.724 79.930 1.00 0.57 H new ATOM 0 HB3 ASP A 27 1.509 -17.282 78.937 1.00 0.57 H new ATOM 424 N VAL A 28 5.264 -16.930 79.769 1.00 0.35 N ATOM 425 CA VAL A 28 5.852 -15.781 80.526 1.00 0.37 C ATOM 426 C VAL A 28 6.431 -14.746 79.553 1.00 0.43 C ATOM 427 O VAL A 28 7.621 -14.503 79.527 1.00 0.47 O ATOM 428 CB VAL A 28 6.964 -16.301 81.442 1.00 0.34 C ATOM 429 CG1 VAL A 28 6.353 -17.208 82.511 1.00 0.38 C ATOM 430 CG2 VAL A 28 7.988 -17.103 80.626 1.00 0.33 C ATOM 0 H VAL A 28 5.944 -17.567 79.354 1.00 0.35 H new ATOM 0 HA VAL A 28 5.072 -15.306 81.121 1.00 0.37 H new ATOM 0 HB VAL A 28 7.464 -15.454 81.912 1.00 0.34 H new ATOM 0 HG11 VAL A 28 7.141 -17.581 83.166 1.00 0.38 H new ATOM 0 HG12 VAL A 28 5.630 -16.642 83.099 1.00 0.38 H new ATOM 0 HG13 VAL A 28 5.852 -18.049 82.032 1.00 0.38 H new ATOM 0 HG21 VAL A 28 8.774 -17.468 81.287 1.00 0.33 H new ATOM 0 HG22 VAL A 28 7.492 -17.949 80.150 1.00 0.33 H new ATOM 0 HG23 VAL A 28 8.426 -16.462 79.861 1.00 0.33 H new ATOM 440 N ASN A 29 5.604 -14.126 78.759 1.00 0.50 N ATOM 441 CA ASN A 29 6.110 -13.112 77.802 1.00 0.61 C ATOM 442 C ASN A 29 4.919 -12.445 77.115 1.00 0.70 C ATOM 443 O ASN A 29 4.974 -12.077 75.958 1.00 0.83 O ATOM 444 CB ASN A 29 6.997 -13.797 76.760 1.00 0.67 C ATOM 445 CG ASN A 29 6.459 -15.196 76.468 1.00 0.71 C ATOM 446 OD1 ASN A 29 5.741 -15.398 75.508 1.00 1.17 O ATOM 447 ND2 ASN A 29 6.777 -16.180 77.260 1.00 0.58 N ATOM 0 H ASN A 29 4.596 -14.281 78.734 1.00 0.50 H new ATOM 0 HA ASN A 29 6.696 -12.359 78.328 1.00 0.61 H new ATOM 0 HB2 ASN A 29 7.021 -13.207 75.844 1.00 0.67 H new ATOM 0 HB3 ASN A 29 8.022 -13.860 77.125 1.00 0.67 H new ATOM 0 HD21 ASN A 29 6.424 -17.119 77.074 1.00 0.58 H new ATOM 0 HD22 ASN A 29 7.379 -16.012 78.066 1.00 0.58 H new ATOM 454 N ARG A 30 3.842 -12.283 77.834 1.00 0.72 N ATOM 455 CA ARG A 30 2.633 -11.638 77.259 1.00 0.83 C ATOM 456 C ARG A 30 2.545 -10.210 77.798 1.00 0.80 C ATOM 457 O ARG A 30 2.841 -9.950 78.947 1.00 0.87 O ATOM 458 CB ARG A 30 1.363 -12.416 77.666 1.00 0.93 C ATOM 459 CG ARG A 30 1.721 -13.835 78.137 1.00 1.05 C ATOM 460 CD ARG A 30 0.562 -14.412 78.956 1.00 1.37 C ATOM 461 NE ARG A 30 -0.524 -14.847 78.035 1.00 1.93 N ATOM 462 CZ ARG A 30 -1.493 -15.600 78.474 1.00 2.59 C ATOM 463 NH1 ARG A 30 -1.509 -15.973 79.726 1.00 2.92 N ATOM 464 NH2 ARG A 30 -2.443 -15.978 77.658 1.00 3.54 N ATOM 0 H ARG A 30 3.750 -12.575 78.807 1.00 0.72 H new ATOM 0 HA ARG A 30 2.705 -11.634 76.171 1.00 0.83 H new ATOM 0 HB2 ARG A 30 0.844 -11.883 78.463 1.00 0.93 H new ATOM 0 HB3 ARG A 30 0.678 -12.471 76.820 1.00 0.93 H new ATOM 0 HG2 ARG A 30 1.926 -14.474 77.278 1.00 1.05 H new ATOM 0 HG3 ARG A 30 2.629 -13.811 78.740 1.00 1.05 H new ATOM 0 HD2 ARG A 30 0.908 -15.256 79.553 1.00 1.37 H new ATOM 0 HD3 ARG A 30 0.185 -13.663 79.652 1.00 1.37 H new ATOM 0 HE ARG A 30 -0.510 -14.555 77.058 1.00 1.93 H new ATOM 0 HH11 ARG A 30 -0.765 -15.675 80.357 1.00 2.92 H new ATOM 0 HH12 ARG A 30 -2.266 -16.562 80.073 1.00 2.92 H new ATOM 0 HH21 ARG A 30 -2.424 -15.683 76.682 1.00 3.54 H new ATOM 0 HH22 ARG A 30 -3.203 -16.567 77.998 1.00 3.54 H new ATOM 478 N THR A 31 2.137 -9.288 76.983 1.00 0.79 N ATOM 479 CA THR A 31 2.023 -7.877 77.452 1.00 0.81 C ATOM 480 C THR A 31 1.083 -7.824 78.662 1.00 0.73 C ATOM 481 O THR A 31 -0.123 -7.793 78.525 1.00 0.84 O ATOM 482 CB THR A 31 1.469 -7.003 76.323 1.00 0.87 C ATOM 483 OG1 THR A 31 1.989 -7.452 75.078 1.00 1.33 O ATOM 484 CG2 THR A 31 1.880 -5.548 76.557 1.00 0.96 C ATOM 0 H THR A 31 1.876 -9.445 76.010 1.00 0.79 H new ATOM 0 HA THR A 31 3.006 -7.504 77.739 1.00 0.81 H new ATOM 0 HB THR A 31 0.381 -7.074 76.307 1.00 0.87 H new ATOM 0 HG1 THR A 31 1.634 -6.894 74.355 1.00 1.33 H new ATOM 0 HG21 THR A 31 1.486 -4.925 75.754 1.00 0.96 H new ATOM 0 HG22 THR A 31 1.480 -5.206 77.511 1.00 0.96 H new ATOM 0 HG23 THR A 31 2.967 -5.475 76.573 1.00 0.96 H new ATOM 492 N LEU A 32 1.634 -7.823 79.846 1.00 0.87 N ATOM 493 CA LEU A 32 0.788 -7.785 81.076 1.00 0.93 C ATOM 494 C LEU A 32 -0.293 -6.708 80.939 1.00 0.80 C ATOM 495 O LEU A 32 -1.405 -6.983 80.536 1.00 1.22 O ATOM 496 CB LEU A 32 1.673 -7.477 82.290 1.00 1.45 C ATOM 497 CG LEU A 32 0.838 -7.557 83.585 1.00 0.63 C ATOM 498 CD1 LEU A 32 1.709 -8.099 84.724 1.00 0.84 C ATOM 499 CD2 LEU A 32 0.309 -6.163 83.968 1.00 0.75 C ATOM 0 H LEU A 32 2.639 -7.847 80.016 1.00 0.87 H new ATOM 0 HA LEU A 32 0.305 -8.753 81.210 1.00 0.93 H new ATOM 0 HB2 LEU A 32 2.500 -8.185 82.336 1.00 1.45 H new ATOM 0 HB3 LEU A 32 2.109 -6.483 82.190 1.00 1.45 H new ATOM 0 HG LEU A 32 -0.008 -8.224 83.417 1.00 0.63 H new ATOM 0 HD11 LEU A 32 1.119 -8.155 85.638 1.00 0.84 H new ATOM 0 HD12 LEU A 32 2.071 -9.094 84.464 1.00 0.84 H new ATOM 0 HD13 LEU A 32 2.558 -7.434 84.881 1.00 0.84 H new ATOM 0 HD21 LEU A 32 -0.278 -6.236 84.883 1.00 0.75 H new ATOM 0 HD22 LEU A 32 1.149 -5.487 84.128 1.00 0.75 H new ATOM 0 HD23 LEU A 32 -0.319 -5.778 83.164 1.00 0.75 H new ATOM 511 N GLU A 33 0.018 -5.485 81.281 1.00 0.62 N ATOM 512 CA GLU A 33 -1.003 -4.403 81.179 1.00 0.91 C ATOM 513 C GLU A 33 -1.225 -4.047 79.708 1.00 0.86 C ATOM 514 O GLU A 33 -2.236 -4.382 79.122 1.00 1.05 O ATOM 515 CB GLU A 33 -0.517 -3.167 81.940 1.00 1.29 C ATOM 516 CG GLU A 33 -1.389 -1.962 81.574 1.00 1.48 C ATOM 517 CD GLU A 33 -1.243 -0.877 82.642 1.00 2.18 C ATOM 518 OE1 GLU A 33 -0.139 -0.697 83.127 1.00 2.84 O ATOM 519 OE2 GLU A 33 -2.239 -0.246 82.957 1.00 2.75 O ATOM 0 H GLU A 33 0.932 -5.190 81.625 1.00 0.62 H new ATOM 0 HA GLU A 33 -1.942 -4.748 81.613 1.00 0.91 H new ATOM 0 HB2 GLU A 33 -0.562 -3.348 83.014 1.00 1.29 H new ATOM 0 HB3 GLU A 33 0.525 -2.963 81.694 1.00 1.29 H new ATOM 0 HG2 GLU A 33 -1.094 -1.570 80.601 1.00 1.48 H new ATOM 0 HG3 GLU A 33 -2.432 -2.267 81.492 1.00 1.48 H new ATOM 526 N GLY A 34 -0.286 -3.367 79.110 1.00 0.80 N ATOM 527 CA GLY A 34 -0.436 -2.984 77.677 1.00 0.88 C ATOM 528 C GLY A 34 0.948 -2.765 77.066 1.00 0.84 C ATOM 529 O GLY A 34 1.091 -2.571 75.875 1.00 0.93 O ATOM 0 H GLY A 34 0.580 -3.059 79.552 1.00 0.80 H new ATOM 0 HA2 GLY A 34 -0.967 -3.765 77.133 1.00 0.88 H new ATOM 0 HA3 GLY A 34 -1.032 -2.075 77.592 1.00 0.88 H new ATOM 533 N GLY A 35 1.970 -2.796 77.876 1.00 0.81 N ATOM 534 CA GLY A 35 3.346 -2.592 77.348 1.00 0.85 C ATOM 535 C GLY A 35 4.381 -3.018 78.394 1.00 0.83 C ATOM 536 O GLY A 35 5.539 -2.665 78.303 1.00 1.01 O ATOM 0 H GLY A 35 1.910 -2.954 78.882 1.00 0.81 H new ATOM 0 HA2 GLY A 35 3.482 -3.170 76.434 1.00 0.85 H new ATOM 0 HA3 GLY A 35 3.492 -1.544 77.087 1.00 0.85 H new ATOM 540 N ARG A 36 3.980 -3.770 79.391 1.00 0.71 N ATOM 541 CA ARG A 36 4.953 -4.207 80.441 1.00 0.72 C ATOM 542 C ARG A 36 5.062 -5.737 80.429 1.00 0.65 C ATOM 543 O ARG A 36 4.507 -6.398 79.574 1.00 0.83 O ATOM 544 CB ARG A 36 4.467 -3.736 81.820 1.00 0.77 C ATOM 545 CG ARG A 36 3.825 -2.337 81.706 1.00 0.93 C ATOM 546 CD ARG A 36 4.444 -1.378 82.728 1.00 1.26 C ATOM 547 NE ARG A 36 4.015 0.011 82.404 1.00 1.60 N ATOM 548 CZ ARG A 36 4.175 0.968 83.275 1.00 2.08 C ATOM 549 NH1 ARG A 36 4.731 0.713 84.425 1.00 2.53 N ATOM 550 NH2 ARG A 36 3.803 2.183 82.987 1.00 2.76 N ATOM 0 H ARG A 36 3.024 -4.099 79.523 1.00 0.71 H new ATOM 0 HA ARG A 36 5.931 -3.771 80.235 1.00 0.72 H new ATOM 0 HB2 ARG A 36 3.743 -4.445 82.221 1.00 0.77 H new ATOM 0 HB3 ARG A 36 5.304 -3.705 82.518 1.00 0.77 H new ATOM 0 HG2 ARG A 36 3.968 -1.946 80.699 1.00 0.93 H new ATOM 0 HG3 ARG A 36 2.750 -2.409 81.871 1.00 0.93 H new ATOM 0 HD2 ARG A 36 4.128 -1.645 83.736 1.00 1.26 H new ATOM 0 HD3 ARG A 36 5.531 -1.452 82.705 1.00 1.26 H new ATOM 0 HE ARG A 36 3.594 0.214 81.497 1.00 1.60 H new ATOM 0 HH11 ARG A 36 5.040 -0.234 84.643 1.00 2.53 H new ATOM 0 HH12 ARG A 36 4.857 1.460 85.108 1.00 2.53 H new ATOM 0 HH21 ARG A 36 3.386 2.387 82.079 1.00 2.76 H new ATOM 0 HH22 ARG A 36 3.929 2.930 83.670 1.00 2.76 H new ATOM 564 N LYS A 37 5.772 -6.308 81.373 1.00 0.62 N ATOM 565 CA LYS A 37 5.907 -7.798 81.412 1.00 0.61 C ATOM 566 C LYS A 37 5.635 -8.296 82.844 1.00 0.49 C ATOM 567 O LYS A 37 5.804 -7.555 83.792 1.00 0.54 O ATOM 568 CB LYS A 37 7.323 -8.214 80.971 1.00 0.85 C ATOM 569 CG LYS A 37 8.269 -7.007 80.987 1.00 1.01 C ATOM 570 CD LYS A 37 8.589 -6.623 82.433 1.00 1.15 C ATOM 571 CE LYS A 37 9.550 -5.430 82.450 1.00 2.01 C ATOM 572 NZ LYS A 37 10.499 -5.534 81.307 1.00 2.47 N ATOM 0 H LYS A 37 6.262 -5.808 82.115 1.00 0.62 H new ATOM 0 HA LYS A 37 5.184 -8.243 80.728 1.00 0.61 H new ATOM 0 HB2 LYS A 37 7.703 -8.990 81.635 1.00 0.85 H new ATOM 0 HB3 LYS A 37 7.287 -8.642 79.969 1.00 0.85 H new ATOM 0 HG2 LYS A 37 9.188 -7.246 80.452 1.00 1.01 H new ATOM 0 HG3 LYS A 37 7.809 -6.165 80.470 1.00 1.01 H new ATOM 0 HD2 LYS A 37 7.671 -6.371 82.964 1.00 1.15 H new ATOM 0 HD3 LYS A 37 9.036 -7.470 82.954 1.00 1.15 H new ATOM 0 HE2 LYS A 37 8.989 -4.498 82.386 1.00 2.01 H new ATOM 0 HE3 LYS A 37 10.100 -5.407 83.391 1.00 2.01 H new ATOM 0 HZ1 LYS A 37 11.321 -4.921 81.481 1.00 2.47 H new ATOM 0 HZ2 LYS A 37 10.817 -6.519 81.208 1.00 2.47 H new ATOM 0 HZ3 LYS A 37 10.023 -5.234 80.432 1.00 2.47 H new ATOM 586 N PRO A 38 5.207 -9.536 82.963 1.00 0.47 N ATOM 587 CA PRO A 38 4.896 -10.137 84.277 1.00 0.40 C ATOM 588 C PRO A 38 6.161 -10.299 85.136 1.00 0.34 C ATOM 589 O PRO A 38 6.226 -11.172 85.979 1.00 0.42 O ATOM 590 CB PRO A 38 4.300 -11.516 83.944 1.00 0.46 C ATOM 591 CG PRO A 38 4.496 -11.755 82.424 1.00 0.64 C ATOM 592 CD PRO A 38 4.994 -10.435 81.808 1.00 0.66 C ATOM 0 HA PRO A 38 4.215 -9.510 84.853 1.00 0.40 H new ATOM 0 HB2 PRO A 38 4.795 -12.297 84.522 1.00 0.46 H new ATOM 0 HB3 PRO A 38 3.242 -11.549 84.204 1.00 0.46 H new ATOM 0 HG2 PRO A 38 5.217 -12.554 82.251 1.00 0.64 H new ATOM 0 HG3 PRO A 38 3.559 -12.065 81.961 1.00 0.64 H new ATOM 0 HD2 PRO A 38 5.917 -10.584 81.247 1.00 0.66 H new ATOM 0 HD3 PRO A 38 4.262 -10.021 81.114 1.00 0.66 H new ATOM 600 N LEU A 39 7.161 -9.475 84.945 1.00 0.31 N ATOM 601 CA LEU A 39 8.400 -9.610 85.777 1.00 0.27 C ATOM 602 C LEU A 39 8.723 -8.264 86.423 1.00 0.25 C ATOM 603 O LEU A 39 9.533 -8.171 87.323 1.00 0.25 O ATOM 604 CB LEU A 39 9.572 -10.065 84.895 1.00 0.32 C ATOM 605 CG LEU A 39 10.832 -10.361 85.741 1.00 0.28 C ATOM 606 CD1 LEU A 39 10.465 -11.076 87.048 1.00 0.29 C ATOM 607 CD2 LEU A 39 11.782 -11.260 84.936 1.00 0.36 C ATOM 0 H LEU A 39 7.176 -8.722 84.257 1.00 0.31 H new ATOM 0 HA LEU A 39 8.237 -10.354 86.556 1.00 0.27 H new ATOM 0 HB2 LEU A 39 9.286 -10.958 84.340 1.00 0.32 H new ATOM 0 HB3 LEU A 39 9.798 -9.292 84.160 1.00 0.32 H new ATOM 0 HG LEU A 39 11.312 -9.413 85.983 1.00 0.28 H new ATOM 0 HD11 LEU A 39 11.370 -11.271 87.622 1.00 0.29 H new ATOM 0 HD12 LEU A 39 9.794 -10.446 87.632 1.00 0.29 H new ATOM 0 HD13 LEU A 39 9.969 -12.020 86.820 1.00 0.29 H new ATOM 0 HD21 LEU A 39 12.672 -11.471 85.528 1.00 0.36 H new ATOM 0 HD22 LEU A 39 11.278 -12.195 84.692 1.00 0.36 H new ATOM 0 HD23 LEU A 39 12.071 -10.752 84.016 1.00 0.36 H new ATOM 619 N HIS A 40 8.082 -7.222 85.979 1.00 0.28 N ATOM 620 CA HIS A 40 8.335 -5.881 86.578 1.00 0.29 C ATOM 621 C HIS A 40 7.589 -5.793 87.909 1.00 0.27 C ATOM 622 O HIS A 40 8.123 -5.349 88.906 1.00 0.30 O ATOM 623 CB HIS A 40 7.825 -4.788 85.635 1.00 0.37 C ATOM 624 CG HIS A 40 7.945 -3.448 86.307 1.00 0.47 C ATOM 625 ND1 HIS A 40 8.930 -3.175 87.243 1.00 1.20 N ATOM 626 CD2 HIS A 40 7.210 -2.295 86.189 1.00 1.21 C ATOM 627 CE1 HIS A 40 8.762 -1.902 87.649 1.00 1.01 C ATOM 628 NE2 HIS A 40 7.727 -1.320 87.037 1.00 0.93 N ATOM 0 H HIS A 40 7.393 -7.239 85.227 1.00 0.28 H new ATOM 0 HA HIS A 40 9.404 -5.743 86.737 1.00 0.29 H new ATOM 0 HB2 HIS A 40 8.400 -4.795 84.709 1.00 0.37 H new ATOM 0 HB3 HIS A 40 6.786 -4.980 85.367 1.00 0.37 H new ATOM 0 HD2 HIS A 40 6.359 -2.164 85.537 1.00 1.21 H new ATOM 0 HE1 HIS A 40 9.388 -1.412 88.380 1.00 1.01 H new ATOM 0 HE2 HIS A 40 7.388 -0.366 87.164 1.00 0.93 H new ATOM 636 N TYR A 41 6.357 -6.223 87.932 1.00 0.27 N ATOM 637 CA TYR A 41 5.574 -6.178 89.197 1.00 0.28 C ATOM 638 C TYR A 41 6.129 -7.226 90.164 1.00 0.25 C ATOM 639 O TYR A 41 6.184 -7.017 91.360 1.00 0.27 O ATOM 640 CB TYR A 41 4.104 -6.478 88.895 1.00 0.34 C ATOM 641 CG TYR A 41 3.637 -5.595 87.763 1.00 0.38 C ATOM 642 CD1 TYR A 41 3.823 -6.001 86.437 1.00 0.41 C ATOM 643 CD2 TYR A 41 3.021 -4.369 88.039 1.00 0.48 C ATOM 644 CE1 TYR A 41 3.392 -5.182 85.386 1.00 0.52 C ATOM 645 CE2 TYR A 41 2.590 -3.550 86.989 1.00 0.56 C ATOM 646 CZ TYR A 41 2.776 -3.956 85.663 1.00 0.58 C ATOM 647 OH TYR A 41 2.351 -3.148 84.627 1.00 0.70 O ATOM 0 H TYR A 41 5.859 -6.604 87.127 1.00 0.27 H new ATOM 0 HA TYR A 41 5.652 -5.189 89.648 1.00 0.28 H new ATOM 0 HB2 TYR A 41 3.983 -7.527 88.627 1.00 0.34 H new ATOM 0 HB3 TYR A 41 3.496 -6.304 89.782 1.00 0.34 H new ATOM 0 HD1 TYR A 41 4.299 -6.947 86.224 1.00 0.41 H new ATOM 0 HD2 TYR A 41 2.878 -4.055 89.062 1.00 0.48 H new ATOM 0 HE1 TYR A 41 3.535 -5.496 84.363 1.00 0.52 H new ATOM 0 HE2 TYR A 41 2.114 -2.604 87.202 1.00 0.56 H new ATOM 0 HH TYR A 41 1.944 -2.335 84.992 1.00 0.70 H new ATOM 657 N ALA A 42 6.552 -8.350 89.650 1.00 0.21 N ATOM 658 CA ALA A 42 7.118 -9.411 90.530 1.00 0.20 C ATOM 659 C ALA A 42 8.450 -8.924 91.097 1.00 0.19 C ATOM 660 O ALA A 42 8.704 -9.014 92.277 1.00 0.22 O ATOM 661 CB ALA A 42 7.341 -10.681 89.708 1.00 0.22 C ATOM 0 H ALA A 42 6.529 -8.579 88.656 1.00 0.21 H new ATOM 0 HA ALA A 42 6.429 -9.627 91.347 1.00 0.20 H new ATOM 0 HB1 ALA A 42 7.755 -11.460 90.348 1.00 0.22 H new ATOM 0 HB2 ALA A 42 6.391 -11.018 89.294 1.00 0.22 H new ATOM 0 HB3 ALA A 42 8.036 -10.471 88.895 1.00 0.22 H new ATOM 667 N ALA A 43 9.302 -8.396 90.269 1.00 0.19 N ATOM 668 CA ALA A 43 10.605 -7.896 90.779 1.00 0.21 C ATOM 669 C ALA A 43 10.354 -6.720 91.727 1.00 0.23 C ATOM 670 O ALA A 43 10.771 -6.725 92.869 1.00 0.26 O ATOM 671 CB ALA A 43 11.468 -7.430 89.605 1.00 0.22 C ATOM 0 H ALA A 43 9.154 -8.289 89.265 1.00 0.19 H new ATOM 0 HA ALA A 43 11.122 -8.694 91.312 1.00 0.21 H new ATOM 0 HB1 ALA A 43 12.424 -7.063 89.979 1.00 0.22 H new ATOM 0 HB2 ALA A 43 11.640 -8.265 88.926 1.00 0.22 H new ATOM 0 HB3 ALA A 43 10.956 -6.629 89.072 1.00 0.22 H new ATOM 677 N ASP A 44 9.681 -5.709 91.252 1.00 0.24 N ATOM 678 CA ASP A 44 9.403 -4.515 92.098 1.00 0.29 C ATOM 679 C ASP A 44 8.729 -4.919 93.416 1.00 0.30 C ATOM 680 O ASP A 44 8.961 -4.314 94.443 1.00 0.38 O ATOM 681 CB ASP A 44 8.485 -3.559 91.333 1.00 0.33 C ATOM 682 CG ASP A 44 8.519 -2.178 91.990 1.00 1.08 C ATOM 683 OD1 ASP A 44 7.959 -2.041 93.064 1.00 1.78 O ATOM 684 OD2 ASP A 44 9.102 -1.280 91.405 1.00 1.84 O ATOM 0 H ASP A 44 9.308 -5.659 90.304 1.00 0.24 H new ATOM 0 HA ASP A 44 10.349 -4.026 92.330 1.00 0.29 H new ATOM 0 HB2 ASP A 44 8.805 -3.486 90.293 1.00 0.33 H new ATOM 0 HB3 ASP A 44 7.466 -3.945 91.327 1.00 0.33 H new ATOM 689 N CYS A 45 7.891 -5.924 93.406 1.00 0.27 N ATOM 690 CA CYS A 45 7.203 -6.331 94.672 1.00 0.31 C ATOM 691 C CYS A 45 6.664 -7.756 94.543 1.00 0.26 C ATOM 692 O CYS A 45 5.475 -7.987 94.646 1.00 0.30 O ATOM 693 CB CYS A 45 6.014 -5.399 94.937 1.00 0.39 C ATOM 694 SG CYS A 45 6.531 -3.667 94.839 1.00 1.09 S ATOM 0 H CYS A 45 7.653 -6.478 92.583 1.00 0.27 H new ATOM 0 HA CYS A 45 7.923 -6.274 95.488 1.00 0.31 H new ATOM 0 HB2 CYS A 45 5.225 -5.591 94.210 1.00 0.39 H new ATOM 0 HB3 CYS A 45 5.596 -5.605 95.922 1.00 0.39 H new ATOM 0 HG CYS A 45 7.822 -3.592 94.969 1.00 1.09 H new ATOM 700 N GLY A 46 7.522 -8.714 94.322 1.00 0.22 N ATOM 701 CA GLY A 46 7.053 -10.129 94.191 1.00 0.20 C ATOM 702 C GLY A 46 7.578 -10.956 95.365 1.00 0.20 C ATOM 703 O GLY A 46 7.916 -12.114 95.215 1.00 0.22 O ATOM 0 H GLY A 46 8.529 -8.581 94.226 1.00 0.22 H new ATOM 0 HA2 GLY A 46 5.964 -10.161 94.169 1.00 0.20 H new ATOM 0 HA3 GLY A 46 7.403 -10.553 93.250 1.00 0.20 H new ATOM 707 N GLN A 47 7.660 -10.375 96.531 1.00 0.23 N ATOM 708 CA GLN A 47 8.175 -11.138 97.705 1.00 0.27 C ATOM 709 C GLN A 47 9.466 -11.850 97.299 1.00 0.25 C ATOM 710 O GLN A 47 9.936 -12.750 97.965 1.00 0.29 O ATOM 711 CB GLN A 47 7.130 -12.163 98.152 1.00 0.31 C ATOM 712 CG GLN A 47 5.961 -11.455 98.850 1.00 0.58 C ATOM 713 CD GLN A 47 5.741 -10.066 98.244 1.00 0.87 C ATOM 714 OE1 GLN A 47 6.375 -9.110 98.645 1.00 1.56 O ATOM 715 NE2 GLN A 47 4.866 -9.912 97.289 1.00 1.26 N ATOM 0 H GLN A 47 7.394 -9.409 96.722 1.00 0.23 H new ATOM 0 HA GLN A 47 8.375 -10.458 98.533 1.00 0.27 H new ATOM 0 HB2 GLN A 47 6.765 -12.721 97.290 1.00 0.31 H new ATOM 0 HB3 GLN A 47 7.585 -12.885 98.830 1.00 0.31 H new ATOM 0 HG2 GLN A 47 5.054 -12.051 98.749 1.00 0.58 H new ATOM 0 HG3 GLN A 47 6.166 -11.365 99.917 1.00 0.58 H new ATOM 0 HE21 GLN A 47 4.333 -10.714 96.951 1.00 1.26 H new ATOM 0 HE22 GLN A 47 4.715 -8.990 96.880 1.00 1.26 H new ATOM 724 N LEU A 48 10.038 -11.426 96.206 1.00 0.22 N ATOM 725 CA LEU A 48 11.310 -12.021 95.711 1.00 0.23 C ATOM 726 C LEU A 48 11.129 -13.497 95.360 1.00 0.22 C ATOM 727 O LEU A 48 12.033 -14.145 94.873 1.00 0.24 O ATOM 728 CB LEU A 48 12.392 -11.876 96.774 1.00 0.28 C ATOM 729 CG LEU A 48 12.840 -10.403 96.931 1.00 0.28 C ATOM 730 CD1 LEU A 48 12.188 -9.474 95.894 1.00 0.29 C ATOM 731 CD2 LEU A 48 12.481 -9.904 98.334 1.00 0.34 C ATOM 0 H LEU A 48 9.668 -10.675 95.623 1.00 0.22 H new ATOM 0 HA LEU A 48 11.607 -11.489 94.807 1.00 0.23 H new ATOM 0 HB2 LEU A 48 12.018 -12.247 97.728 1.00 0.28 H new ATOM 0 HB3 LEU A 48 13.251 -12.492 96.507 1.00 0.28 H new ATOM 0 HG LEU A 48 13.918 -10.378 96.772 1.00 0.28 H new ATOM 0 HD11 LEU A 48 12.537 -8.453 96.050 1.00 0.29 H new ATOM 0 HD12 LEU A 48 12.460 -9.801 94.890 1.00 0.29 H new ATOM 0 HD13 LEU A 48 11.104 -9.508 96.006 1.00 0.29 H new ATOM 0 HD21 LEU A 48 12.797 -8.867 98.443 1.00 0.34 H new ATOM 0 HD22 LEU A 48 11.403 -9.972 98.480 1.00 0.34 H new ATOM 0 HD23 LEU A 48 12.987 -10.518 99.079 1.00 0.34 H new ATOM 743 N GLU A 49 9.976 -14.034 95.590 1.00 0.22 N ATOM 744 CA GLU A 49 9.742 -15.462 95.240 1.00 0.23 C ATOM 745 C GLU A 49 9.067 -15.535 93.868 1.00 0.21 C ATOM 746 O GLU A 49 9.289 -16.448 93.099 1.00 0.21 O ATOM 747 CB GLU A 49 8.847 -16.120 96.292 1.00 0.26 C ATOM 748 CG GLU A 49 7.829 -15.105 96.806 1.00 0.83 C ATOM 749 CD GLU A 49 6.823 -15.808 97.720 1.00 0.98 C ATOM 750 OE1 GLU A 49 6.956 -17.007 97.904 1.00 1.45 O ATOM 751 OE2 GLU A 49 5.937 -15.135 98.221 1.00 1.53 O ATOM 0 H GLU A 49 9.180 -13.551 96.006 1.00 0.22 H new ATOM 0 HA GLU A 49 10.695 -15.990 95.211 1.00 0.23 H new ATOM 0 HB2 GLU A 49 8.333 -16.979 95.861 1.00 0.26 H new ATOM 0 HB3 GLU A 49 9.453 -16.493 97.118 1.00 0.26 H new ATOM 0 HG2 GLU A 49 8.337 -14.309 97.351 1.00 0.83 H new ATOM 0 HG3 GLU A 49 7.311 -14.638 95.969 1.00 0.83 H new ATOM 758 N ILE A 50 8.224 -14.584 93.572 1.00 0.19 N ATOM 759 CA ILE A 50 7.502 -14.592 92.266 1.00 0.18 C ATOM 760 C ILE A 50 8.456 -14.380 91.093 1.00 0.18 C ATOM 761 O ILE A 50 8.291 -14.972 90.046 1.00 0.25 O ATOM 762 CB ILE A 50 6.456 -13.474 92.246 1.00 0.18 C ATOM 763 CG1 ILE A 50 5.538 -13.607 93.486 1.00 0.19 C ATOM 764 CG2 ILE A 50 5.657 -13.558 90.939 1.00 0.20 C ATOM 765 CD1 ILE A 50 4.048 -13.512 93.116 1.00 0.19 C ATOM 0 H ILE A 50 8.002 -13.797 94.182 1.00 0.19 H new ATOM 0 HA ILE A 50 7.027 -15.568 92.161 1.00 0.18 H new ATOM 0 HB ILE A 50 6.939 -12.498 92.289 1.00 0.18 H new ATOM 0 HG12 ILE A 50 5.729 -14.561 93.977 1.00 0.19 H new ATOM 0 HG13 ILE A 50 5.783 -12.824 94.204 1.00 0.19 H new ATOM 0 HG21 ILE A 50 4.910 -12.765 90.918 1.00 0.20 H new ATOM 0 HG22 ILE A 50 6.333 -13.443 90.091 1.00 0.20 H new ATOM 0 HG23 ILE A 50 5.160 -14.526 90.878 1.00 0.20 H new ATOM 0 HD11 ILE A 50 3.442 -13.611 94.017 1.00 0.19 H new ATOM 0 HD12 ILE A 50 3.850 -12.547 92.649 1.00 0.19 H new ATOM 0 HD13 ILE A 50 3.794 -14.311 92.419 1.00 0.19 H new ATOM 777 N LEU A 51 9.426 -13.525 91.225 1.00 0.18 N ATOM 778 CA LEU A 51 10.321 -13.293 90.064 1.00 0.20 C ATOM 779 C LEU A 51 11.019 -14.606 89.680 1.00 0.22 C ATOM 780 O LEU A 51 10.955 -15.034 88.547 1.00 0.25 O ATOM 781 CB LEU A 51 11.361 -12.171 90.312 1.00 0.20 C ATOM 782 CG LEU A 51 11.577 -11.828 91.794 1.00 0.20 C ATOM 783 CD1 LEU A 51 10.289 -11.315 92.457 1.00 0.20 C ATOM 784 CD2 LEU A 51 12.113 -13.051 92.524 1.00 0.20 C ATOM 0 H LEU A 51 9.635 -12.988 92.066 1.00 0.18 H new ATOM 0 HA LEU A 51 9.698 -12.950 89.238 1.00 0.20 H new ATOM 0 HB2 LEU A 51 12.314 -12.472 89.878 1.00 0.20 H new ATOM 0 HB3 LEU A 51 11.041 -11.272 89.786 1.00 0.20 H new ATOM 0 HG LEU A 51 12.307 -11.021 91.856 1.00 0.20 H new ATOM 0 HD11 LEU A 51 10.486 -11.084 93.504 1.00 0.20 H new ATOM 0 HD12 LEU A 51 9.950 -10.415 91.945 1.00 0.20 H new ATOM 0 HD13 LEU A 51 9.517 -12.082 92.393 1.00 0.20 H new ATOM 0 HD21 LEU A 51 12.267 -12.809 93.576 1.00 0.20 H new ATOM 0 HD22 LEU A 51 11.396 -13.868 92.441 1.00 0.20 H new ATOM 0 HD23 LEU A 51 13.061 -13.354 92.079 1.00 0.20 H new ATOM 796 N GLU A 52 11.678 -15.252 90.602 1.00 0.24 N ATOM 797 CA GLU A 52 12.369 -16.534 90.264 1.00 0.29 C ATOM 798 C GLU A 52 11.393 -17.491 89.572 1.00 0.27 C ATOM 799 O GLU A 52 11.775 -18.283 88.735 1.00 0.30 O ATOM 800 CB GLU A 52 12.882 -17.226 91.539 1.00 0.43 C ATOM 801 CG GLU A 52 13.476 -16.211 92.517 1.00 0.81 C ATOM 802 CD GLU A 52 13.923 -16.936 93.788 1.00 1.74 C ATOM 803 OE1 GLU A 52 14.647 -17.915 93.669 1.00 2.43 O ATOM 804 OE2 GLU A 52 13.527 -16.502 94.861 1.00 2.34 O ATOM 0 H GLU A 52 11.769 -14.951 91.572 1.00 0.24 H new ATOM 0 HA GLU A 52 13.205 -16.297 89.606 1.00 0.29 H new ATOM 0 HB2 GLU A 52 12.064 -17.762 92.019 1.00 0.43 H new ATOM 0 HB3 GLU A 52 13.637 -17.966 91.276 1.00 0.43 H new ATOM 0 HG2 GLU A 52 14.323 -15.700 92.059 1.00 0.81 H new ATOM 0 HG3 GLU A 52 12.737 -15.448 92.761 1.00 0.81 H new ATOM 811 N PHE A 53 10.145 -17.453 89.950 1.00 0.25 N ATOM 812 CA PHE A 53 9.149 -18.390 89.362 1.00 0.28 C ATOM 813 C PHE A 53 8.995 -18.196 87.854 1.00 0.28 C ATOM 814 O PHE A 53 9.606 -18.879 87.060 1.00 0.31 O ATOM 815 CB PHE A 53 7.788 -18.168 90.019 1.00 0.29 C ATOM 816 CG PHE A 53 6.769 -19.058 89.346 1.00 0.37 C ATOM 817 CD1 PHE A 53 6.942 -20.446 89.358 1.00 0.50 C ATOM 818 CD2 PHE A 53 5.659 -18.497 88.701 1.00 0.41 C ATOM 819 CE1 PHE A 53 6.009 -21.274 88.727 1.00 0.62 C ATOM 820 CE2 PHE A 53 4.724 -19.327 88.071 1.00 0.53 C ATOM 821 CZ PHE A 53 4.900 -20.716 88.084 1.00 0.62 C ATOM 0 H PHE A 53 9.771 -16.808 90.646 1.00 0.25 H new ATOM 0 HA PHE A 53 9.511 -19.402 89.543 1.00 0.28 H new ATOM 0 HB2 PHE A 53 7.842 -18.395 91.084 1.00 0.29 H new ATOM 0 HB3 PHE A 53 7.493 -17.123 89.930 1.00 0.29 H new ATOM 0 HD1 PHE A 53 7.798 -20.879 89.855 1.00 0.50 H new ATOM 0 HD2 PHE A 53 5.525 -17.425 88.690 1.00 0.41 H new ATOM 0 HE1 PHE A 53 6.145 -22.345 88.736 1.00 0.62 H new ATOM 0 HE2 PHE A 53 3.867 -18.896 87.575 1.00 0.53 H new ATOM 0 HZ PHE A 53 4.179 -21.356 87.597 1.00 0.62 H new ATOM 831 N LEU A 54 8.140 -17.302 87.459 1.00 0.26 N ATOM 832 CA LEU A 54 7.884 -17.087 86.011 1.00 0.28 C ATOM 833 C LEU A 54 9.183 -16.832 85.243 1.00 0.28 C ATOM 834 O LEU A 54 9.190 -16.782 84.030 1.00 0.39 O ATOM 835 CB LEU A 54 6.889 -15.922 85.858 1.00 0.29 C ATOM 836 CG LEU A 54 7.555 -14.526 85.930 1.00 0.63 C ATOM 837 CD1 LEU A 54 8.798 -14.525 86.830 1.00 0.24 C ATOM 838 CD2 LEU A 54 7.934 -14.042 84.522 1.00 1.38 C ATOM 0 H LEU A 54 7.600 -16.703 88.084 1.00 0.26 H new ATOM 0 HA LEU A 54 7.450 -17.989 85.579 1.00 0.28 H new ATOM 0 HB2 LEU A 54 6.371 -16.020 84.904 1.00 0.29 H new ATOM 0 HB3 LEU A 54 6.133 -15.996 86.640 1.00 0.29 H new ATOM 0 HG LEU A 54 6.826 -13.844 86.368 1.00 0.63 H new ATOM 0 HD11 LEU A 54 9.232 -13.525 86.850 1.00 0.24 H new ATOM 0 HD12 LEU A 54 8.515 -14.818 87.841 1.00 0.24 H new ATOM 0 HD13 LEU A 54 9.531 -15.231 86.439 1.00 0.24 H new ATOM 0 HD21 LEU A 54 8.401 -13.059 84.588 1.00 1.38 H new ATOM 0 HD22 LEU A 54 8.633 -14.746 84.071 1.00 1.38 H new ATOM 0 HD23 LEU A 54 7.037 -13.976 83.906 1.00 1.38 H new ATOM 850 N LEU A 55 10.288 -16.700 85.919 1.00 0.23 N ATOM 851 CA LEU A 55 11.568 -16.473 85.186 1.00 0.25 C ATOM 852 C LEU A 55 12.196 -17.820 84.820 1.00 0.28 C ATOM 853 O LEU A 55 12.689 -18.011 83.727 1.00 0.30 O ATOM 854 CB LEU A 55 12.530 -15.669 86.068 1.00 0.30 C ATOM 855 CG LEU A 55 13.589 -14.978 85.198 1.00 0.33 C ATOM 856 CD1 LEU A 55 14.418 -14.024 86.062 1.00 0.35 C ATOM 857 CD2 LEU A 55 14.517 -16.024 84.563 1.00 0.36 C ATOM 0 H LEU A 55 10.364 -16.738 86.935 1.00 0.23 H new ATOM 0 HA LEU A 55 11.369 -15.913 84.273 1.00 0.25 H new ATOM 0 HB2 LEU A 55 11.976 -14.925 86.640 1.00 0.30 H new ATOM 0 HB3 LEU A 55 13.014 -16.329 86.788 1.00 0.30 H new ATOM 0 HG LEU A 55 13.087 -14.419 84.408 1.00 0.33 H new ATOM 0 HD11 LEU A 55 15.170 -13.534 85.444 1.00 0.35 H new ATOM 0 HD12 LEU A 55 13.764 -13.272 86.503 1.00 0.35 H new ATOM 0 HD13 LEU A 55 14.911 -14.587 86.855 1.00 0.35 H new ATOM 0 HD21 LEU A 55 15.264 -15.522 83.948 1.00 0.36 H new ATOM 0 HD22 LEU A 55 15.016 -16.592 85.348 1.00 0.36 H new ATOM 0 HD23 LEU A 55 13.931 -16.701 83.941 1.00 0.36 H new ATOM 869 N LEU A 56 12.183 -18.757 85.724 1.00 0.34 N ATOM 870 CA LEU A 56 12.788 -20.086 85.423 1.00 0.44 C ATOM 871 C LEU A 56 12.060 -20.742 84.248 1.00 0.36 C ATOM 872 O LEU A 56 12.624 -21.536 83.522 1.00 0.37 O ATOM 873 CB LEU A 56 12.715 -20.990 86.662 1.00 0.69 C ATOM 874 CG LEU A 56 11.270 -21.474 86.893 1.00 0.72 C ATOM 875 CD1 LEU A 56 11.105 -22.901 86.361 1.00 1.46 C ATOM 876 CD2 LEU A 56 10.952 -21.468 88.393 1.00 1.20 C ATOM 0 H LEU A 56 11.781 -18.662 86.657 1.00 0.34 H new ATOM 0 HA LEU A 56 13.834 -19.944 85.152 1.00 0.44 H new ATOM 0 HB2 LEU A 56 13.376 -21.847 86.533 1.00 0.69 H new ATOM 0 HB3 LEU A 56 13.067 -20.445 87.538 1.00 0.69 H new ATOM 0 HG LEU A 56 10.590 -20.804 86.367 1.00 0.72 H new ATOM 0 HD11 LEU A 56 10.081 -23.236 86.528 1.00 1.46 H new ATOM 0 HD12 LEU A 56 11.323 -22.919 85.293 1.00 1.46 H new ATOM 0 HD13 LEU A 56 11.794 -23.566 86.883 1.00 1.46 H new ATOM 0 HD21 LEU A 56 9.929 -21.811 88.549 1.00 1.20 H new ATOM 0 HD22 LEU A 56 11.641 -22.133 88.914 1.00 1.20 H new ATOM 0 HD23 LEU A 56 11.059 -20.456 88.784 1.00 1.20 H new ATOM 888 N LYS A 57 10.815 -20.418 84.052 1.00 0.36 N ATOM 889 CA LYS A 57 10.062 -21.024 82.923 1.00 0.38 C ATOM 890 C LYS A 57 10.646 -20.501 81.605 1.00 0.33 C ATOM 891 O LYS A 57 11.561 -21.077 81.052 1.00 0.41 O ATOM 892 CB LYS A 57 8.572 -20.651 83.042 1.00 0.43 C ATOM 893 CG LYS A 57 7.718 -21.918 83.192 1.00 0.84 C ATOM 894 CD LYS A 57 7.813 -22.435 84.632 1.00 1.19 C ATOM 895 CE LYS A 57 7.193 -23.838 84.731 1.00 1.16 C ATOM 896 NZ LYS A 57 6.081 -23.821 85.724 1.00 1.96 N ATOM 0 H LYS A 57 10.286 -19.760 84.625 1.00 0.36 H new ATOM 0 HA LYS A 57 10.149 -22.110 82.948 1.00 0.38 H new ATOM 0 HB2 LYS A 57 8.421 -19.998 83.902 1.00 0.43 H new ATOM 0 HB3 LYS A 57 8.257 -20.094 82.159 1.00 0.43 H new ATOM 0 HG2 LYS A 57 6.680 -21.701 82.941 1.00 0.84 H new ATOM 0 HG3 LYS A 57 8.061 -22.684 82.497 1.00 0.84 H new ATOM 0 HD2 LYS A 57 8.856 -22.467 84.947 1.00 1.19 H new ATOM 0 HD3 LYS A 57 7.297 -21.752 85.307 1.00 1.19 H new ATOM 0 HE2 LYS A 57 6.820 -24.152 83.756 1.00 1.16 H new ATOM 0 HE3 LYS A 57 7.951 -24.562 85.030 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 6.085 -24.709 86.265 1.00 1.96 H new ATOM 0 HZ2 LYS A 57 6.208 -23.019 86.374 1.00 1.96 H new ATOM 0 HZ3 LYS A 57 5.173 -23.723 85.227 1.00 1.96 H new ATOM 910 N GLY A 58 10.138 -19.409 81.104 1.00 0.31 N ATOM 911 CA GLY A 58 10.680 -18.854 79.837 1.00 0.30 C ATOM 912 C GLY A 58 11.951 -18.071 80.151 1.00 0.26 C ATOM 913 O GLY A 58 12.951 -18.634 80.551 1.00 0.31 O ATOM 0 H GLY A 58 9.371 -18.879 81.519 1.00 0.31 H new ATOM 0 HA2 GLY A 58 10.896 -19.658 79.134 1.00 0.30 H new ATOM 0 HA3 GLY A 58 9.944 -18.205 79.363 1.00 0.30 H new ATOM 917 N ALA A 59 11.924 -16.778 79.990 1.00 0.25 N ATOM 918 CA ALA A 59 13.139 -15.978 80.301 1.00 0.24 C ATOM 919 C ALA A 59 12.933 -14.504 79.930 1.00 0.27 C ATOM 920 O ALA A 59 13.676 -13.943 79.148 1.00 0.29 O ATOM 921 CB ALA A 59 14.337 -16.547 79.530 1.00 0.26 C ATOM 0 H ALA A 59 11.120 -16.245 79.659 1.00 0.25 H new ATOM 0 HA ALA A 59 13.330 -16.037 81.372 1.00 0.24 H new ATOM 0 HB1 ALA A 59 15.228 -15.961 79.757 1.00 0.26 H new ATOM 0 HB2 ALA A 59 14.500 -17.584 79.824 1.00 0.26 H new ATOM 0 HB3 ALA A 59 14.136 -16.501 78.460 1.00 0.26 H new ATOM 927 N ASP A 60 11.962 -13.856 80.515 1.00 0.31 N ATOM 928 CA ASP A 60 11.765 -12.411 80.222 1.00 0.37 C ATOM 929 C ASP A 60 12.939 -11.671 80.859 1.00 0.34 C ATOM 930 O ASP A 60 13.007 -10.458 80.884 1.00 0.38 O ATOM 931 CB ASP A 60 10.443 -11.932 80.831 1.00 0.45 C ATOM 932 CG ASP A 60 10.060 -10.579 80.228 1.00 0.57 C ATOM 933 OD1 ASP A 60 10.518 -9.573 80.743 1.00 1.26 O ATOM 934 OD2 ASP A 60 9.314 -10.572 79.264 1.00 1.24 O ATOM 0 H ASP A 60 11.302 -14.263 81.178 1.00 0.31 H new ATOM 0 HA ASP A 60 11.724 -12.226 79.149 1.00 0.37 H new ATOM 0 HB2 ASP A 60 9.657 -12.662 80.639 1.00 0.45 H new ATOM 0 HB3 ASP A 60 10.540 -11.845 81.913 1.00 0.45 H new ATOM 939 N ILE A 61 13.866 -12.434 81.371 1.00 0.29 N ATOM 940 CA ILE A 61 15.076 -11.869 82.025 1.00 0.28 C ATOM 941 C ILE A 61 15.820 -10.964 81.040 1.00 0.27 C ATOM 942 O ILE A 61 16.739 -10.256 81.401 1.00 0.30 O ATOM 943 CB ILE A 61 15.970 -13.045 82.438 1.00 0.25 C ATOM 944 CG1 ILE A 61 17.026 -12.587 83.448 1.00 0.29 C ATOM 945 CG2 ILE A 61 16.667 -13.623 81.203 1.00 0.23 C ATOM 946 CD1 ILE A 61 17.879 -13.787 83.883 1.00 0.28 C ATOM 0 H ILE A 61 13.831 -13.453 81.362 1.00 0.29 H new ATOM 0 HA ILE A 61 14.803 -11.274 82.897 1.00 0.28 H new ATOM 0 HB ILE A 61 15.346 -13.810 82.900 1.00 0.25 H new ATOM 0 HG12 ILE A 61 17.660 -11.820 83.004 1.00 0.29 H new ATOM 0 HG13 ILE A 61 16.543 -12.138 84.316 1.00 0.29 H new ATOM 0 HG21 ILE A 61 17.301 -14.458 81.501 1.00 0.23 H new ATOM 0 HG22 ILE A 61 15.918 -13.972 80.492 1.00 0.23 H new ATOM 0 HG23 ILE A 61 17.279 -12.851 80.736 1.00 0.23 H new ATOM 0 HD11 ILE A 61 18.630 -13.458 84.602 1.00 0.28 H new ATOM 0 HD12 ILE A 61 17.240 -14.540 84.345 1.00 0.28 H new ATOM 0 HD13 ILE A 61 18.374 -14.216 83.012 1.00 0.28 H new ATOM 958 N ASN A 62 15.431 -10.989 79.796 1.00 0.27 N ATOM 959 CA ASN A 62 16.115 -10.137 78.778 1.00 0.30 C ATOM 960 C ASN A 62 15.150 -9.797 77.630 1.00 0.35 C ATOM 961 O ASN A 62 15.299 -8.797 76.958 1.00 0.34 O ATOM 962 CB ASN A 62 17.334 -10.887 78.234 1.00 0.33 C ATOM 963 CG ASN A 62 16.892 -12.212 77.609 1.00 0.36 C ATOM 964 OD1 ASN A 62 17.605 -12.787 76.811 1.00 0.63 O ATOM 965 ND2 ASN A 62 15.739 -12.727 77.938 1.00 0.38 N ATOM 0 H ASN A 62 14.668 -11.563 79.438 1.00 0.27 H new ATOM 0 HA ASN A 62 16.436 -9.206 79.244 1.00 0.30 H new ATOM 0 HB2 ASN A 62 17.846 -10.276 77.490 1.00 0.33 H new ATOM 0 HB3 ASN A 62 18.046 -11.073 79.038 1.00 0.33 H new ATOM 0 HD21 ASN A 62 15.439 -13.610 77.525 1.00 0.38 H new ATOM 0 HD22 ASN A 62 15.138 -12.246 78.608 1.00 0.38 H new ATOM 972 N ALA A 63 14.162 -10.627 77.411 1.00 0.42 N ATOM 973 CA ALA A 63 13.164 -10.383 76.320 1.00 0.49 C ATOM 974 C ALA A 63 12.912 -8.878 76.075 1.00 0.45 C ATOM 975 O ALA A 63 12.987 -8.442 74.944 1.00 0.48 O ATOM 976 CB ALA A 63 11.846 -11.089 76.654 1.00 0.57 C ATOM 0 H ALA A 63 14.000 -11.478 77.950 1.00 0.42 H new ATOM 0 HA ALA A 63 13.582 -10.792 75.400 1.00 0.49 H new ATOM 0 HB1 ALA A 63 11.124 -10.908 75.857 1.00 0.57 H new ATOM 0 HB2 ALA A 63 12.021 -12.161 76.749 1.00 0.57 H new ATOM 0 HB3 ALA A 63 11.454 -10.701 77.594 1.00 0.57 H new ATOM 982 N PRO A 64 12.604 -8.118 77.114 1.00 0.42 N ATOM 983 CA PRO A 64 12.330 -6.674 76.984 1.00 0.41 C ATOM 984 C PRO A 64 13.057 -6.044 75.793 1.00 0.43 C ATOM 985 O PRO A 64 14.267 -6.074 75.695 1.00 0.44 O ATOM 986 CB PRO A 64 12.779 -6.099 78.329 1.00 0.37 C ATOM 987 CG PRO A 64 12.821 -7.296 79.327 1.00 0.37 C ATOM 988 CD PRO A 64 12.540 -8.580 78.516 1.00 0.42 C ATOM 0 HA PRO A 64 11.281 -6.464 76.776 1.00 0.41 H new ATOM 0 HB2 PRO A 64 13.759 -5.630 78.243 1.00 0.37 H new ATOM 0 HB3 PRO A 64 12.087 -5.330 78.673 1.00 0.37 H new ATOM 0 HG2 PRO A 64 13.794 -7.355 79.815 1.00 0.37 H new ATOM 0 HG3 PRO A 64 12.077 -7.167 80.113 1.00 0.37 H new ATOM 0 HD2 PRO A 64 13.280 -9.354 78.719 1.00 0.42 H new ATOM 0 HD3 PRO A 64 11.564 -9.002 78.756 1.00 0.42 H new ATOM 996 N ASP A 65 12.305 -5.463 74.894 1.00 0.49 N ATOM 997 CA ASP A 65 12.903 -4.807 73.694 1.00 0.55 C ATOM 998 C ASP A 65 12.346 -3.385 73.579 1.00 0.58 C ATOM 999 O ASP A 65 13.067 -2.439 73.335 1.00 0.62 O ATOM 1000 CB ASP A 65 12.523 -5.607 72.445 1.00 0.62 C ATOM 1001 CG ASP A 65 13.451 -6.815 72.306 1.00 0.66 C ATOM 1002 OD1 ASP A 65 14.250 -7.029 73.203 1.00 1.25 O ATOM 1003 OD2 ASP A 65 13.349 -7.503 71.305 1.00 1.29 O ATOM 0 H ASP A 65 11.287 -5.415 74.942 1.00 0.49 H new ATOM 0 HA ASP A 65 13.988 -4.771 73.787 1.00 0.55 H new ATOM 0 HB2 ASP A 65 11.487 -5.938 72.514 1.00 0.62 H new ATOM 0 HB3 ASP A 65 12.597 -4.975 71.560 1.00 0.62 H new ATOM 1008 N LYS A 66 11.063 -3.234 73.767 1.00 0.61 N ATOM 1009 CA LYS A 66 10.441 -1.889 73.688 1.00 0.68 C ATOM 1010 C LYS A 66 10.603 -1.201 75.041 1.00 0.61 C ATOM 1011 O LYS A 66 10.519 0.004 75.162 1.00 0.63 O ATOM 1012 CB LYS A 66 8.965 -2.060 73.365 1.00 0.81 C ATOM 1013 CG LYS A 66 8.236 -0.734 73.550 1.00 0.93 C ATOM 1014 CD LYS A 66 8.871 0.354 72.679 1.00 1.68 C ATOM 1015 CE LYS A 66 7.917 1.551 72.577 1.00 1.92 C ATOM 1016 NZ LYS A 66 7.061 1.402 71.366 1.00 2.22 N ATOM 0 H LYS A 66 10.416 -3.995 73.974 1.00 0.61 H new ATOM 0 HA LYS A 66 10.915 -1.285 72.914 1.00 0.68 H new ATOM 0 HB2 LYS A 66 8.846 -2.410 72.340 1.00 0.81 H new ATOM 0 HB3 LYS A 66 8.527 -2.819 74.014 1.00 0.81 H new ATOM 0 HG2 LYS A 66 7.185 -0.851 73.287 1.00 0.93 H new ATOM 0 HG3 LYS A 66 8.272 -0.436 74.598 1.00 0.93 H new ATOM 0 HD2 LYS A 66 9.822 0.669 73.108 1.00 1.68 H new ATOM 0 HD3 LYS A 66 9.085 -0.040 71.685 1.00 1.68 H new ATOM 0 HE2 LYS A 66 7.295 1.611 73.470 1.00 1.92 H new ATOM 0 HE3 LYS A 66 8.486 2.479 72.522 1.00 1.92 H new ATOM 0 HZ1 LYS A 66 6.414 2.213 71.296 1.00 2.22 H new ATOM 0 HZ2 LYS A 66 7.662 1.365 70.518 1.00 2.22 H new ATOM 0 HZ3 LYS A 66 6.509 0.524 71.437 1.00 2.22 H new ATOM 1030 N HIS A 67 10.844 -1.973 76.056 1.00 0.55 N ATOM 1031 CA HIS A 67 11.026 -1.406 77.409 1.00 0.52 C ATOM 1032 C HIS A 67 12.449 -0.870 77.529 1.00 0.47 C ATOM 1033 O HIS A 67 12.831 -0.313 78.538 1.00 0.50 O ATOM 1034 CB HIS A 67 10.788 -2.517 78.424 1.00 0.53 C ATOM 1035 CG HIS A 67 9.486 -3.197 78.103 1.00 1.02 C ATOM 1036 ND1 HIS A 67 9.190 -4.481 78.533 1.00 1.86 N ATOM 1037 CD2 HIS A 67 8.394 -2.781 77.383 1.00 1.61 C ATOM 1038 CE1 HIS A 67 7.963 -4.789 78.068 1.00 2.13 C ATOM 1039 NE2 HIS A 67 7.435 -3.787 77.361 1.00 1.92 N ATOM 0 H HIS A 67 10.923 -2.988 76.002 1.00 0.55 H new ATOM 0 HA HIS A 67 10.326 -0.591 77.591 1.00 0.52 H new ATOM 0 HB2 HIS A 67 11.606 -3.236 78.395 1.00 0.53 H new ATOM 0 HB3 HIS A 67 10.760 -2.106 79.433 1.00 0.53 H new ATOM 0 HD2 HIS A 67 8.295 -1.817 76.906 1.00 1.61 H new ATOM 0 HE1 HIS A 67 7.467 -5.732 78.246 1.00 2.13 H new ATOM 0 HE2 HIS A 67 6.524 -3.765 76.903 1.00 1.92 H new ATOM 1047 N HIS A 68 13.226 -1.024 76.490 1.00 0.48 N ATOM 1048 CA HIS A 68 14.627 -0.517 76.508 1.00 0.50 C ATOM 1049 C HIS A 68 15.247 -0.739 77.893 1.00 0.43 C ATOM 1050 O HIS A 68 16.140 -0.023 78.304 1.00 0.44 O ATOM 1051 CB HIS A 68 14.613 0.990 76.195 1.00 0.60 C ATOM 1052 CG HIS A 68 15.275 1.263 74.870 1.00 1.46 C ATOM 1053 ND1 HIS A 68 16.646 1.430 74.743 1.00 2.51 N ATOM 1054 CD2 HIS A 68 14.760 1.422 73.609 1.00 2.32 C ATOM 1055 CE1 HIS A 68 16.903 1.681 73.447 1.00 3.47 C ATOM 1056 NE2 HIS A 68 15.788 1.688 72.710 1.00 3.39 N ATOM 0 H HIS A 68 12.947 -1.483 75.623 1.00 0.48 H new ATOM 0 HA HIS A 68 15.217 -1.052 75.764 1.00 0.50 H new ATOM 0 HB2 HIS A 68 13.585 1.353 76.176 1.00 0.60 H new ATOM 0 HB3 HIS A 68 15.129 1.536 76.985 1.00 0.60 H new ATOM 0 HD2 HIS A 68 13.713 1.351 73.352 1.00 2.32 H new ATOM 0 HE1 HIS A 68 17.892 1.856 73.049 1.00 3.47 H new ATOM 0 HE2 HIS A 68 15.708 1.853 71.707 1.00 3.39 H new ATOM 1064 N ILE A 69 14.776 -1.707 78.626 1.00 0.38 N ATOM 1065 CA ILE A 69 15.341 -1.928 79.983 1.00 0.32 C ATOM 1066 C ILE A 69 14.960 -3.324 80.494 1.00 0.32 C ATOM 1067 O ILE A 69 13.876 -3.813 80.248 1.00 0.44 O ATOM 1068 CB ILE A 69 14.789 -0.832 80.910 1.00 0.33 C ATOM 1069 CG1 ILE A 69 15.942 -0.125 81.620 1.00 0.35 C ATOM 1070 CG2 ILE A 69 13.828 -1.420 81.952 1.00 0.32 C ATOM 1071 CD1 ILE A 69 16.796 -1.136 82.394 1.00 0.34 C ATOM 0 H ILE A 69 14.033 -2.348 78.348 1.00 0.38 H new ATOM 0 HA ILE A 69 16.429 -1.875 79.958 1.00 0.32 H new ATOM 0 HB ILE A 69 14.238 -0.117 80.299 1.00 0.33 H new ATOM 0 HG12 ILE A 69 16.560 0.399 80.891 1.00 0.35 H new ATOM 0 HG13 ILE A 69 15.549 0.627 82.304 1.00 0.35 H new ATOM 0 HG21 ILE A 69 13.454 -0.622 82.593 1.00 0.32 H new ATOM 0 HG22 ILE A 69 12.991 -1.901 81.445 1.00 0.32 H new ATOM 0 HG23 ILE A 69 14.355 -2.156 82.559 1.00 0.32 H new ATOM 0 HD11 ILE A 69 17.613 -0.615 82.894 1.00 0.34 H new ATOM 0 HD12 ILE A 69 16.179 -1.640 83.137 1.00 0.34 H new ATOM 0 HD13 ILE A 69 17.205 -1.872 81.702 1.00 0.34 H new ATOM 1083 N THR A 70 15.851 -3.963 81.210 1.00 0.30 N ATOM 1084 CA THR A 70 15.554 -5.323 81.753 1.00 0.41 C ATOM 1085 C THR A 70 15.083 -5.180 83.218 1.00 0.36 C ATOM 1086 O THR A 70 15.331 -4.163 83.836 1.00 0.43 O ATOM 1087 CB THR A 70 16.814 -6.183 81.653 1.00 0.59 C ATOM 1088 OG1 THR A 70 16.744 -7.230 82.598 1.00 1.20 O ATOM 1089 CG2 THR A 70 18.047 -5.325 81.925 1.00 0.63 C ATOM 0 H THR A 70 16.775 -3.599 81.442 1.00 0.30 H new ATOM 0 HA THR A 70 14.763 -5.808 81.181 1.00 0.41 H new ATOM 0 HB THR A 70 16.887 -6.604 80.650 1.00 0.59 H new ATOM 0 HG1 THR A 70 16.952 -8.081 82.159 1.00 1.20 H new ATOM 0 HG21 THR A 70 18.943 -5.942 81.853 1.00 0.63 H new ATOM 0 HG22 THR A 70 18.100 -4.521 81.191 1.00 0.63 H new ATOM 0 HG23 THR A 70 17.980 -4.899 82.926 1.00 0.63 H new ATOM 1097 N PRO A 71 14.366 -6.171 83.721 1.00 0.35 N ATOM 1098 CA PRO A 71 13.796 -6.125 85.088 1.00 0.37 C ATOM 1099 C PRO A 71 14.846 -6.122 86.216 1.00 0.27 C ATOM 1100 O PRO A 71 14.528 -5.739 87.324 1.00 0.27 O ATOM 1101 CB PRO A 71 12.921 -7.387 85.196 1.00 0.50 C ATOM 1102 CG PRO A 71 13.129 -8.214 83.905 1.00 0.59 C ATOM 1103 CD PRO A 71 14.057 -7.410 82.980 1.00 0.47 C ATOM 0 HA PRO A 71 13.249 -5.192 85.220 1.00 0.37 H new ATOM 0 HB2 PRO A 71 13.198 -7.971 86.073 1.00 0.50 H new ATOM 0 HB3 PRO A 71 11.872 -7.116 85.312 1.00 0.50 H new ATOM 0 HG2 PRO A 71 13.568 -9.184 84.139 1.00 0.59 H new ATOM 0 HG3 PRO A 71 12.174 -8.406 83.416 1.00 0.59 H new ATOM 0 HD2 PRO A 71 14.965 -7.968 82.751 1.00 0.47 H new ATOM 0 HD3 PRO A 71 13.571 -7.189 82.030 1.00 0.47 H new ATOM 1111 N LEU A 72 16.064 -6.552 86.007 1.00 0.23 N ATOM 1112 CA LEU A 72 16.996 -6.539 87.167 1.00 0.22 C ATOM 1113 C LEU A 72 17.107 -5.112 87.695 1.00 0.19 C ATOM 1114 O LEU A 72 17.162 -4.890 88.888 1.00 0.20 O ATOM 1115 CB LEU A 72 18.406 -7.070 86.827 1.00 0.28 C ATOM 1116 CG LEU A 72 18.431 -8.035 85.624 1.00 0.34 C ATOM 1117 CD1 LEU A 72 17.143 -8.872 85.519 1.00 0.39 C ATOM 1118 CD2 LEU A 72 18.651 -7.228 84.345 1.00 0.36 C ATOM 0 H LEU A 72 16.439 -6.897 85.124 1.00 0.23 H new ATOM 0 HA LEU A 72 16.582 -7.210 87.920 1.00 0.22 H new ATOM 0 HB2 LEU A 72 19.062 -6.225 86.618 1.00 0.28 H new ATOM 0 HB3 LEU A 72 18.813 -7.581 87.700 1.00 0.28 H new ATOM 0 HG LEU A 72 19.250 -8.740 85.769 1.00 0.34 H new ATOM 0 HD11 LEU A 72 17.209 -9.535 84.657 1.00 0.39 H new ATOM 0 HD12 LEU A 72 17.020 -9.466 86.425 1.00 0.39 H new ATOM 0 HD13 LEU A 72 16.286 -8.208 85.401 1.00 0.39 H new ATOM 0 HD21 LEU A 72 18.670 -7.902 83.488 1.00 0.36 H new ATOM 0 HD22 LEU A 72 17.840 -6.510 84.224 1.00 0.36 H new ATOM 0 HD23 LEU A 72 19.600 -6.696 84.409 1.00 0.36 H new ATOM 1130 N LEU A 73 17.131 -4.141 86.827 1.00 0.18 N ATOM 1131 CA LEU A 73 17.225 -2.740 87.314 1.00 0.19 C ATOM 1132 C LEU A 73 15.902 -2.370 87.987 1.00 0.20 C ATOM 1133 O LEU A 73 15.846 -1.505 88.835 1.00 0.21 O ATOM 1134 CB LEU A 73 17.505 -1.791 86.144 1.00 0.20 C ATOM 1135 CG LEU A 73 18.960 -1.956 85.669 1.00 0.20 C ATOM 1136 CD1 LEU A 73 19.024 -3.001 84.552 1.00 0.22 C ATOM 1137 CD2 LEU A 73 19.485 -0.615 85.139 1.00 0.23 C ATOM 0 H LEU A 73 17.090 -4.255 85.814 1.00 0.18 H new ATOM 0 HA LEU A 73 18.043 -2.651 88.029 1.00 0.19 H new ATOM 0 HB2 LEU A 73 16.820 -2.001 85.323 1.00 0.20 H new ATOM 0 HB3 LEU A 73 17.329 -0.760 86.451 1.00 0.20 H new ATOM 0 HG LEU A 73 19.574 -2.283 86.508 1.00 0.20 H new ATOM 0 HD11 LEU A 73 20.056 -3.115 84.219 1.00 0.22 H new ATOM 0 HD12 LEU A 73 18.656 -3.956 84.926 1.00 0.22 H new ATOM 0 HD13 LEU A 73 18.406 -2.677 83.715 1.00 0.22 H new ATOM 0 HD21 LEU A 73 20.515 -0.735 84.803 1.00 0.23 H new ATOM 0 HD22 LEU A 73 18.867 -0.287 84.303 1.00 0.23 H new ATOM 0 HD23 LEU A 73 19.446 0.130 85.933 1.00 0.23 H new ATOM 1149 N SER A 74 14.833 -3.027 87.627 1.00 0.20 N ATOM 1150 CA SER A 74 13.531 -2.710 88.270 1.00 0.22 C ATOM 1151 C SER A 74 13.683 -2.853 89.781 1.00 0.20 C ATOM 1152 O SER A 74 13.221 -2.031 90.548 1.00 0.22 O ATOM 1153 CB SER A 74 12.452 -3.671 87.768 1.00 0.25 C ATOM 1154 OG SER A 74 11.177 -3.210 88.196 1.00 0.85 O ATOM 0 H SER A 74 14.806 -3.763 86.921 1.00 0.20 H new ATOM 0 HA SER A 74 13.237 -1.691 88.020 1.00 0.22 H new ATOM 0 HB2 SER A 74 12.482 -3.734 86.680 1.00 0.25 H new ATOM 0 HB3 SER A 74 12.636 -4.675 88.151 1.00 0.25 H new ATOM 0 HG SER A 74 10.493 -3.500 87.557 1.00 0.85 H new ATOM 1160 N ALA A 75 14.334 -3.895 90.211 1.00 0.18 N ATOM 1161 CA ALA A 75 14.530 -4.107 91.676 1.00 0.18 C ATOM 1162 C ALA A 75 15.524 -3.076 92.221 1.00 0.18 C ATOM 1163 O ALA A 75 15.428 -2.645 93.353 1.00 0.21 O ATOM 1164 CB ALA A 75 15.073 -5.516 91.911 1.00 0.19 C ATOM 0 H ALA A 75 14.741 -4.613 89.612 1.00 0.18 H new ATOM 0 HA ALA A 75 13.577 -3.990 92.191 1.00 0.18 H new ATOM 0 HB1 ALA A 75 15.218 -5.677 92.979 1.00 0.19 H new ATOM 0 HB2 ALA A 75 14.363 -6.248 91.527 1.00 0.19 H new ATOM 0 HB3 ALA A 75 16.026 -5.630 91.394 1.00 0.19 H new ATOM 1170 N VAL A 76 16.484 -2.683 91.430 1.00 0.17 N ATOM 1171 CA VAL A 76 17.487 -1.689 91.905 1.00 0.18 C ATOM 1172 C VAL A 76 16.770 -0.510 92.581 1.00 0.19 C ATOM 1173 O VAL A 76 16.882 -0.313 93.775 1.00 0.22 O ATOM 1174 CB VAL A 76 18.321 -1.207 90.704 1.00 0.18 C ATOM 1175 CG1 VAL A 76 18.849 0.215 90.933 1.00 0.41 C ATOM 1176 CG2 VAL A 76 19.505 -2.159 90.498 1.00 0.43 C ATOM 0 H VAL A 76 16.617 -3.008 90.473 1.00 0.17 H new ATOM 0 HA VAL A 76 18.151 -2.148 92.637 1.00 0.18 H new ATOM 0 HB VAL A 76 17.682 -1.199 89.821 1.00 0.18 H new ATOM 0 HG11 VAL A 76 19.434 0.529 90.069 1.00 0.41 H new ATOM 0 HG12 VAL A 76 18.010 0.897 91.070 1.00 0.41 H new ATOM 0 HG13 VAL A 76 19.479 0.230 91.823 1.00 0.41 H new ATOM 0 HG21 VAL A 76 20.099 -1.822 89.648 1.00 0.43 H new ATOM 0 HG22 VAL A 76 20.125 -2.167 91.394 1.00 0.43 H new ATOM 0 HG23 VAL A 76 19.133 -3.165 90.305 1.00 0.43 H new ATOM 1186 N TYR A 77 16.041 0.279 91.837 1.00 0.21 N ATOM 1187 CA TYR A 77 15.335 1.438 92.461 1.00 0.24 C ATOM 1188 C TYR A 77 14.136 0.933 93.269 1.00 0.24 C ATOM 1189 O TYR A 77 13.088 1.549 93.289 1.00 0.29 O ATOM 1190 CB TYR A 77 14.849 2.409 91.372 1.00 0.30 C ATOM 1191 CG TYR A 77 15.637 2.191 90.105 1.00 0.27 C ATOM 1192 CD1 TYR A 77 15.198 1.251 89.167 1.00 0.27 C ATOM 1193 CD2 TYR A 77 16.806 2.924 89.870 1.00 0.29 C ATOM 1194 CE1 TYR A 77 15.925 1.044 87.992 1.00 0.26 C ATOM 1195 CE2 TYR A 77 17.535 2.717 88.692 1.00 0.28 C ATOM 1196 CZ TYR A 77 17.096 1.775 87.754 1.00 0.26 C ATOM 1197 OH TYR A 77 17.815 1.568 86.594 1.00 0.27 O ATOM 0 H TYR A 77 15.904 0.173 90.832 1.00 0.21 H new ATOM 0 HA TYR A 77 16.026 1.962 93.121 1.00 0.24 H new ATOM 0 HB2 TYR A 77 13.787 2.254 91.182 1.00 0.30 H new ATOM 0 HB3 TYR A 77 14.966 3.438 91.711 1.00 0.30 H new ATOM 0 HD1 TYR A 77 14.297 0.685 89.351 1.00 0.27 H new ATOM 0 HD2 TYR A 77 17.145 3.648 90.596 1.00 0.29 H new ATOM 0 HE1 TYR A 77 15.584 0.320 87.267 1.00 0.26 H new ATOM 0 HE2 TYR A 77 18.435 3.284 88.507 1.00 0.28 H new ATOM 0 HH TYR A 77 17.863 2.404 86.085 1.00 0.27 H new ATOM 1207 N GLU A 78 14.280 -0.182 93.937 1.00 0.21 N ATOM 1208 CA GLU A 78 13.146 -0.726 94.746 1.00 0.23 C ATOM 1209 C GLU A 78 13.603 -0.950 96.187 1.00 0.22 C ATOM 1210 O GLU A 78 12.803 -1.002 97.100 1.00 0.26 O ATOM 1211 CB GLU A 78 12.686 -2.058 94.152 1.00 0.24 C ATOM 1212 CG GLU A 78 11.323 -2.430 94.733 1.00 0.29 C ATOM 1213 CD GLU A 78 10.268 -1.439 94.237 1.00 1.27 C ATOM 1214 OE1 GLU A 78 10.508 -0.809 93.221 1.00 2.06 O ATOM 1215 OE2 GLU A 78 9.241 -1.323 94.885 1.00 1.99 O ATOM 0 H GLU A 78 15.133 -0.740 93.958 1.00 0.21 H new ATOM 0 HA GLU A 78 12.321 -0.013 94.731 1.00 0.23 H new ATOM 0 HB2 GLU A 78 12.622 -1.982 93.067 1.00 0.24 H new ATOM 0 HB3 GLU A 78 13.414 -2.838 94.375 1.00 0.24 H new ATOM 0 HG2 GLU A 78 11.053 -3.443 94.435 1.00 0.29 H new ATOM 0 HG3 GLU A 78 11.365 -2.418 95.822 1.00 0.29 H new ATOM 1222 N GLY A 79 14.882 -1.083 96.401 1.00 0.22 N ATOM 1223 CA GLY A 79 15.386 -1.304 97.786 1.00 0.24 C ATOM 1224 C GLY A 79 15.256 -2.784 98.152 1.00 0.23 C ATOM 1225 O GLY A 79 15.643 -3.203 99.225 1.00 0.26 O ATOM 0 H GLY A 79 15.600 -1.048 95.678 1.00 0.22 H new ATOM 0 HA2 GLY A 79 16.428 -0.992 97.858 1.00 0.24 H new ATOM 0 HA3 GLY A 79 14.821 -0.694 98.491 1.00 0.24 H new ATOM 1229 N HIS A 80 14.718 -3.581 97.270 1.00 0.21 N ATOM 1230 CA HIS A 80 14.569 -5.033 97.572 1.00 0.22 C ATOM 1231 C HIS A 80 15.904 -5.735 97.313 1.00 0.21 C ATOM 1232 O HIS A 80 16.409 -6.451 98.153 1.00 0.22 O ATOM 1233 CB HIS A 80 13.490 -5.634 96.663 1.00 0.24 C ATOM 1234 CG HIS A 80 12.151 -5.592 97.352 1.00 0.29 C ATOM 1235 ND1 HIS A 80 11.375 -6.728 97.527 1.00 0.29 N ATOM 1236 CD2 HIS A 80 11.434 -4.561 97.905 1.00 0.51 C ATOM 1237 CE1 HIS A 80 10.250 -6.359 98.160 1.00 0.31 C ATOM 1238 NE2 HIS A 80 10.232 -5.047 98.415 1.00 0.48 N ATOM 0 H HIS A 80 14.375 -3.290 96.354 1.00 0.21 H new ATOM 0 HA HIS A 80 14.279 -5.166 98.614 1.00 0.22 H new ATOM 0 HB2 HIS A 80 13.443 -5.080 95.726 1.00 0.24 H new ATOM 0 HB3 HIS A 80 13.747 -6.663 96.412 1.00 0.24 H new ATOM 0 HD2 HIS A 80 11.753 -3.530 97.940 1.00 0.51 H new ATOM 0 HE1 HIS A 80 9.456 -7.039 98.430 1.00 0.31 H new ATOM 0 HE2 HIS A 80 9.497 -4.516 98.882 1.00 0.48 H new ATOM 1246 N VAL A 81 16.470 -5.520 96.152 1.00 0.20 N ATOM 1247 CA VAL A 81 17.784 -6.142 95.785 1.00 0.22 C ATOM 1248 C VAL A 81 17.905 -7.584 96.302 1.00 0.22 C ATOM 1249 O VAL A 81 18.927 -8.223 96.131 1.00 0.25 O ATOM 1250 CB VAL A 81 18.932 -5.292 96.342 1.00 0.26 C ATOM 1251 CG1 VAL A 81 19.177 -4.097 95.418 1.00 0.31 C ATOM 1252 CG2 VAL A 81 18.570 -4.777 97.739 1.00 0.25 C ATOM 0 H VAL A 81 16.069 -4.927 95.426 1.00 0.20 H new ATOM 0 HA VAL A 81 17.840 -6.178 94.697 1.00 0.22 H new ATOM 0 HB VAL A 81 19.831 -5.905 96.402 1.00 0.26 H new ATOM 0 HG11 VAL A 81 19.993 -3.492 95.814 1.00 0.31 H new ATOM 0 HG12 VAL A 81 19.440 -4.455 94.423 1.00 0.31 H new ATOM 0 HG13 VAL A 81 18.273 -3.491 95.359 1.00 0.31 H new ATOM 0 HG21 VAL A 81 19.390 -4.174 98.128 1.00 0.25 H new ATOM 0 HG22 VAL A 81 17.668 -4.168 97.680 1.00 0.25 H new ATOM 0 HG23 VAL A 81 18.394 -5.622 98.404 1.00 0.25 H new ATOM 1262 N SER A 82 16.886 -8.124 96.901 1.00 0.21 N ATOM 1263 CA SER A 82 16.988 -9.528 97.371 1.00 0.23 C ATOM 1264 C SER A 82 16.835 -10.429 96.148 1.00 0.21 C ATOM 1265 O SER A 82 17.285 -11.557 96.124 1.00 0.24 O ATOM 1266 CB SER A 82 15.890 -9.817 98.400 1.00 0.25 C ATOM 1267 OG SER A 82 16.418 -9.635 99.707 1.00 0.95 O ATOM 0 H SER A 82 15.996 -7.660 97.084 1.00 0.21 H new ATOM 0 HA SER A 82 17.948 -9.709 97.855 1.00 0.23 H new ATOM 0 HB2 SER A 82 15.041 -9.152 98.241 1.00 0.25 H new ATOM 0 HB3 SER A 82 15.522 -10.836 98.281 1.00 0.25 H new ATOM 0 HG SER A 82 15.720 -9.817 100.370 1.00 0.95 H new ATOM 1273 N CYS A 83 16.211 -9.915 95.120 1.00 0.18 N ATOM 1274 CA CYS A 83 16.030 -10.702 93.872 1.00 0.19 C ATOM 1275 C CYS A 83 17.264 -10.524 92.981 1.00 0.19 C ATOM 1276 O CYS A 83 17.894 -11.480 92.588 1.00 0.28 O ATOM 1277 CB CYS A 83 14.783 -10.204 93.136 1.00 0.22 C ATOM 1278 SG CYS A 83 14.553 -8.440 93.474 1.00 0.97 S ATOM 0 H CYS A 83 15.817 -8.975 95.095 1.00 0.18 H new ATOM 0 HA CYS A 83 15.907 -11.758 94.114 1.00 0.19 H new ATOM 0 HB2 CYS A 83 14.889 -10.370 92.064 1.00 0.22 H new ATOM 0 HB3 CYS A 83 13.907 -10.765 93.460 1.00 0.22 H new ATOM 0 HG CYS A 83 13.496 -8.013 92.849 1.00 0.97 H new ATOM 1284 N VAL A 84 17.614 -9.304 92.657 1.00 0.18 N ATOM 1285 CA VAL A 84 18.809 -9.075 91.785 1.00 0.21 C ATOM 1286 C VAL A 84 19.917 -10.059 92.162 1.00 0.22 C ATOM 1287 O VAL A 84 20.733 -10.434 91.344 1.00 0.27 O ATOM 1288 CB VAL A 84 19.328 -7.646 91.962 1.00 0.23 C ATOM 1289 CG1 VAL A 84 18.182 -6.656 91.781 1.00 0.28 C ATOM 1290 CG2 VAL A 84 19.930 -7.487 93.356 1.00 0.22 C ATOM 0 H VAL A 84 17.127 -8.459 92.957 1.00 0.18 H new ATOM 0 HA VAL A 84 18.517 -9.226 90.746 1.00 0.21 H new ATOM 0 HB VAL A 84 20.095 -7.447 91.214 1.00 0.23 H new ATOM 0 HG11 VAL A 84 18.556 -5.640 91.908 1.00 0.28 H new ATOM 0 HG12 VAL A 84 17.761 -6.766 90.782 1.00 0.28 H new ATOM 0 HG13 VAL A 84 17.409 -6.854 92.524 1.00 0.28 H new ATOM 0 HG21 VAL A 84 20.299 -6.469 93.479 1.00 0.22 H new ATOM 0 HG22 VAL A 84 19.167 -7.690 94.107 1.00 0.22 H new ATOM 0 HG23 VAL A 84 20.755 -8.189 93.478 1.00 0.22 H new ATOM 1300 N LYS A 85 19.957 -10.475 93.399 1.00 0.24 N ATOM 1301 CA LYS A 85 21.016 -11.427 93.829 1.00 0.29 C ATOM 1302 C LYS A 85 20.757 -12.814 93.216 1.00 0.26 C ATOM 1303 O LYS A 85 21.453 -13.245 92.317 1.00 0.32 O ATOM 1304 CB LYS A 85 21.019 -11.509 95.366 1.00 0.40 C ATOM 1305 CG LYS A 85 22.402 -11.122 95.908 1.00 0.89 C ATOM 1306 CD LYS A 85 22.324 -10.894 97.422 1.00 0.87 C ATOM 1307 CE LYS A 85 23.569 -10.131 97.898 1.00 1.13 C ATOM 1308 NZ LYS A 85 24.088 -10.759 99.145 1.00 1.74 N ATOM 0 H LYS A 85 19.301 -10.196 94.129 1.00 0.24 H new ATOM 0 HA LYS A 85 21.989 -11.078 93.484 1.00 0.29 H new ATOM 0 HB2 LYS A 85 20.259 -10.843 95.776 1.00 0.40 H new ATOM 0 HB3 LYS A 85 20.763 -12.519 95.685 1.00 0.40 H new ATOM 0 HG2 LYS A 85 23.122 -11.910 95.687 1.00 0.89 H new ATOM 0 HG3 LYS A 85 22.756 -10.218 95.413 1.00 0.89 H new ATOM 0 HD2 LYS A 85 21.424 -10.330 97.668 1.00 0.87 H new ATOM 0 HD3 LYS A 85 22.252 -11.850 97.940 1.00 0.87 H new ATOM 0 HE2 LYS A 85 24.336 -10.146 97.124 1.00 1.13 H new ATOM 0 HE3 LYS A 85 23.321 -9.086 98.080 1.00 1.13 H new ATOM 0 HZ1 LYS A 85 24.931 -10.243 99.468 1.00 1.74 H new ATOM 0 HZ2 LYS A 85 23.356 -10.723 99.883 1.00 1.74 H new ATOM 0 HZ3 LYS A 85 24.340 -11.750 98.956 1.00 1.74 H new ATOM 1322 N LEU A 86 19.769 -13.525 93.685 1.00 0.32 N ATOM 1323 CA LEU A 86 19.503 -14.873 93.107 1.00 0.41 C ATOM 1324 C LEU A 86 19.190 -14.724 91.611 1.00 0.32 C ATOM 1325 O LEU A 86 19.037 -15.690 90.894 1.00 0.36 O ATOM 1326 CB LEU A 86 18.364 -15.559 93.901 1.00 0.65 C ATOM 1327 CG LEU A 86 17.000 -15.495 93.188 1.00 0.56 C ATOM 1328 CD1 LEU A 86 16.708 -14.070 92.702 1.00 1.36 C ATOM 1329 CD2 LEU A 86 16.957 -16.485 92.009 1.00 1.04 C ATOM 0 H LEU A 86 19.141 -13.236 94.435 1.00 0.32 H new ATOM 0 HA LEU A 86 20.379 -15.516 93.192 1.00 0.41 H new ATOM 0 HB2 LEU A 86 18.628 -16.603 94.073 1.00 0.65 H new ATOM 0 HB3 LEU A 86 18.277 -15.087 94.880 1.00 0.65 H new ATOM 0 HG LEU A 86 16.229 -15.778 93.904 1.00 0.56 H new ATOM 0 HD11 LEU A 86 15.740 -14.047 92.201 1.00 1.36 H new ATOM 0 HD12 LEU A 86 16.691 -13.391 93.555 1.00 1.36 H new ATOM 0 HD13 LEU A 86 17.485 -13.757 92.004 1.00 1.36 H new ATOM 0 HD21 LEU A 86 15.985 -16.425 91.518 1.00 1.04 H new ATOM 0 HD22 LEU A 86 17.741 -16.234 91.294 1.00 1.04 H new ATOM 0 HD23 LEU A 86 17.114 -17.498 92.379 1.00 1.04 H new ATOM 1341 N LEU A 87 19.121 -13.509 91.130 1.00 0.26 N ATOM 1342 CA LEU A 87 18.824 -13.288 89.683 1.00 0.24 C ATOM 1343 C LEU A 87 20.054 -13.609 88.822 1.00 0.25 C ATOM 1344 O LEU A 87 20.066 -14.589 88.103 1.00 0.37 O ATOM 1345 CB LEU A 87 18.421 -11.820 89.474 1.00 0.25 C ATOM 1346 CG LEU A 87 17.080 -11.732 88.738 1.00 0.25 C ATOM 1347 CD1 LEU A 87 16.559 -10.295 88.802 1.00 0.31 C ATOM 1348 CD2 LEU A 87 17.268 -12.140 87.275 1.00 0.26 C ATOM 0 H LEU A 87 19.258 -12.660 91.678 1.00 0.26 H new ATOM 0 HA LEU A 87 18.010 -13.948 89.383 1.00 0.24 H new ATOM 0 HB2 LEU A 87 18.348 -11.316 90.438 1.00 0.25 H new ATOM 0 HB3 LEU A 87 19.191 -11.303 88.902 1.00 0.25 H new ATOM 0 HG LEU A 87 16.363 -12.403 89.211 1.00 0.25 H new ATOM 0 HD11 LEU A 87 15.605 -10.230 88.279 1.00 0.31 H new ATOM 0 HD12 LEU A 87 16.422 -10.004 89.843 1.00 0.31 H new ATOM 0 HD13 LEU A 87 17.278 -9.626 88.329 1.00 0.31 H new ATOM 0 HD21 LEU A 87 16.313 -12.077 86.754 1.00 0.26 H new ATOM 0 HD22 LEU A 87 17.986 -11.471 86.800 1.00 0.26 H new ATOM 0 HD23 LEU A 87 17.640 -13.164 87.228 1.00 0.26 H new ATOM 1360 N LEU A 88 21.079 -12.793 88.854 1.00 0.36 N ATOM 1361 CA LEU A 88 22.258 -13.089 87.991 1.00 0.40 C ATOM 1362 C LEU A 88 22.679 -14.539 88.180 1.00 0.46 C ATOM 1363 O LEU A 88 23.394 -15.104 87.376 1.00 0.51 O ATOM 1364 CB LEU A 88 23.419 -12.115 88.273 1.00 0.58 C ATOM 1365 CG LEU A 88 24.249 -12.504 89.513 1.00 0.49 C ATOM 1366 CD1 LEU A 88 23.330 -12.768 90.702 1.00 0.51 C ATOM 1367 CD2 LEU A 88 25.119 -13.744 89.229 1.00 0.99 C ATOM 0 H LEU A 88 21.149 -11.953 89.428 1.00 0.36 H new ATOM 0 HA LEU A 88 21.977 -12.945 86.948 1.00 0.40 H new ATOM 0 HB2 LEU A 88 24.074 -12.078 87.402 1.00 0.58 H new ATOM 0 HB3 LEU A 88 23.017 -11.111 88.413 1.00 0.58 H new ATOM 0 HG LEU A 88 24.910 -11.671 89.753 1.00 0.49 H new ATOM 0 HD11 LEU A 88 23.929 -13.042 91.571 1.00 0.51 H new ATOM 0 HD12 LEU A 88 22.756 -11.868 90.925 1.00 0.51 H new ATOM 0 HD13 LEU A 88 22.647 -13.583 90.460 1.00 0.51 H new ATOM 0 HD21 LEU A 88 25.694 -13.997 90.120 1.00 0.99 H new ATOM 0 HD22 LEU A 88 24.479 -14.584 88.960 1.00 0.99 H new ATOM 0 HD23 LEU A 88 25.801 -13.529 88.406 1.00 0.99 H new ATOM 1379 N SER A 89 22.210 -15.159 89.216 1.00 0.48 N ATOM 1380 CA SER A 89 22.551 -16.585 89.433 1.00 0.60 C ATOM 1381 C SER A 89 22.045 -17.374 88.226 1.00 0.57 C ATOM 1382 O SER A 89 22.414 -18.509 88.002 1.00 0.71 O ATOM 1383 CB SER A 89 21.866 -17.088 90.702 1.00 0.66 C ATOM 1384 OG SER A 89 22.431 -18.336 91.076 1.00 1.31 O ATOM 0 H SER A 89 21.605 -14.742 89.923 1.00 0.48 H new ATOM 0 HA SER A 89 23.628 -16.709 89.545 1.00 0.60 H new ATOM 0 HB2 SER A 89 21.989 -16.364 91.507 1.00 0.66 H new ATOM 0 HB3 SER A 89 20.795 -17.197 90.532 1.00 0.66 H new ATOM 0 HG SER A 89 21.995 -18.661 91.891 1.00 1.31 H new ATOM 1390 N LYS A 90 21.198 -16.757 87.442 1.00 0.45 N ATOM 1391 CA LYS A 90 20.646 -17.428 86.233 1.00 0.50 C ATOM 1392 C LYS A 90 21.333 -16.853 84.996 1.00 0.45 C ATOM 1393 O LYS A 90 21.126 -17.302 83.885 1.00 0.57 O ATOM 1394 CB LYS A 90 19.143 -17.142 86.149 1.00 0.54 C ATOM 1395 CG LYS A 90 18.376 -18.149 87.009 1.00 0.94 C ATOM 1396 CD LYS A 90 16.864 -17.981 86.795 1.00 1.37 C ATOM 1397 CE LYS A 90 16.344 -16.821 87.646 1.00 1.51 C ATOM 1398 NZ LYS A 90 16.632 -17.090 89.081 1.00 2.27 N ATOM 0 H LYS A 90 20.863 -15.805 87.593 1.00 0.45 H new ATOM 0 HA LYS A 90 20.816 -18.503 86.289 1.00 0.50 H new ATOM 0 HB2 LYS A 90 18.937 -16.127 86.490 1.00 0.54 H new ATOM 0 HB3 LYS A 90 18.809 -17.205 85.113 1.00 0.54 H new ATOM 0 HG2 LYS A 90 18.677 -19.164 86.750 1.00 0.94 H new ATOM 0 HG3 LYS A 90 18.621 -18.002 88.061 1.00 0.94 H new ATOM 0 HD2 LYS A 90 16.656 -17.793 85.742 1.00 1.37 H new ATOM 0 HD3 LYS A 90 16.345 -18.901 87.063 1.00 1.37 H new ATOM 0 HE2 LYS A 90 16.818 -15.889 87.338 1.00 1.51 H new ATOM 0 HE3 LYS A 90 15.271 -16.698 87.496 1.00 1.51 H new ATOM 0 HZ1 LYS A 90 15.802 -16.839 89.655 1.00 2.27 H new ATOM 0 HZ2 LYS A 90 16.849 -18.099 89.208 1.00 2.27 H new ATOM 0 HZ3 LYS A 90 17.447 -16.520 89.384 1.00 2.27 H new ATOM 1412 N GLY A 91 22.137 -15.846 85.188 1.00 0.34 N ATOM 1413 CA GLY A 91 22.840 -15.202 84.049 1.00 0.35 C ATOM 1414 C GLY A 91 22.468 -13.722 84.026 1.00 0.31 C ATOM 1415 O GLY A 91 23.162 -12.890 84.575 1.00 0.33 O ATOM 0 H GLY A 91 22.339 -15.437 86.100 1.00 0.34 H new ATOM 0 HA2 GLY A 91 23.919 -15.320 84.154 1.00 0.35 H new ATOM 0 HA3 GLY A 91 22.557 -15.679 83.111 1.00 0.35 H new ATOM 1419 N ALA A 92 21.361 -13.395 83.410 1.00 0.30 N ATOM 1420 CA ALA A 92 20.910 -11.972 83.351 1.00 0.30 C ATOM 1421 C ALA A 92 22.118 -11.038 83.193 1.00 0.33 C ATOM 1422 O ALA A 92 22.046 -9.864 83.495 1.00 0.35 O ATOM 1423 CB ALA A 92 20.162 -11.636 84.651 1.00 0.30 C ATOM 0 H ALA A 92 20.745 -14.059 82.941 1.00 0.30 H new ATOM 0 HA ALA A 92 20.251 -11.835 82.494 1.00 0.30 H new ATOM 0 HB1 ALA A 92 19.827 -10.599 84.621 1.00 0.30 H new ATOM 0 HB2 ALA A 92 19.299 -12.293 84.754 1.00 0.30 H new ATOM 0 HB3 ALA A 92 20.829 -11.777 85.501 1.00 0.30 H new ATOM 1429 N ASP A 93 23.223 -11.550 82.715 1.00 0.40 N ATOM 1430 CA ASP A 93 24.438 -10.700 82.528 1.00 0.48 C ATOM 1431 C ASP A 93 24.546 -9.650 83.638 1.00 0.51 C ATOM 1432 O ASP A 93 24.538 -9.956 84.814 1.00 0.61 O ATOM 1433 CB ASP A 93 24.341 -9.987 81.180 1.00 0.52 C ATOM 1434 CG ASP A 93 25.696 -9.374 80.810 1.00 1.30 C ATOM 1435 OD1 ASP A 93 26.241 -8.646 81.623 1.00 1.97 O ATOM 1436 OD2 ASP A 93 26.164 -9.641 79.716 1.00 2.04 O ATOM 0 H ASP A 93 23.337 -12.527 82.444 1.00 0.40 H new ATOM 0 HA ASP A 93 25.320 -11.339 82.563 1.00 0.48 H new ATOM 0 HB2 ASP A 93 24.029 -10.691 80.409 1.00 0.52 H new ATOM 0 HB3 ASP A 93 23.581 -9.207 81.226 1.00 0.52 H new ATOM 1441 N LYS A 94 24.664 -8.413 83.253 1.00 0.51 N ATOM 1442 CA LYS A 94 24.795 -7.312 84.242 1.00 0.56 C ATOM 1443 C LYS A 94 24.381 -5.999 83.550 1.00 0.61 C ATOM 1444 O LYS A 94 23.808 -5.119 84.157 1.00 0.74 O ATOM 1445 CB LYS A 94 26.255 -7.295 84.751 1.00 0.66 C ATOM 1446 CG LYS A 94 26.860 -5.883 84.720 1.00 1.07 C ATOM 1447 CD LYS A 94 26.783 -5.207 86.103 1.00 2.04 C ATOM 1448 CE LYS A 94 25.910 -3.951 86.029 1.00 2.76 C ATOM 1449 NZ LYS A 94 26.239 -3.174 84.802 1.00 4.10 N ATOM 0 H LYS A 94 24.675 -8.114 82.278 1.00 0.51 H new ATOM 0 HA LYS A 94 24.147 -7.447 85.108 1.00 0.56 H new ATOM 0 HB2 LYS A 94 26.288 -7.681 85.770 1.00 0.66 H new ATOM 0 HB3 LYS A 94 26.860 -7.962 84.137 1.00 0.66 H new ATOM 0 HG2 LYS A 94 27.900 -5.938 84.398 1.00 1.07 H new ATOM 0 HG3 LYS A 94 26.331 -5.275 83.986 1.00 1.07 H new ATOM 0 HD2 LYS A 94 26.371 -5.903 86.834 1.00 2.04 H new ATOM 0 HD3 LYS A 94 27.784 -4.943 86.443 1.00 2.04 H new ATOM 0 HE2 LYS A 94 24.856 -4.230 86.021 1.00 2.76 H new ATOM 0 HE3 LYS A 94 26.070 -3.334 86.914 1.00 2.76 H new ATOM 0 HZ1 LYS A 94 25.389 -2.677 84.467 1.00 4.10 H new ATOM 0 HZ2 LYS A 94 26.983 -2.480 85.019 1.00 4.10 H new ATOM 0 HZ3 LYS A 94 26.576 -3.821 84.061 1.00 4.10 H new ATOM 1463 N THR A 95 24.641 -5.887 82.270 1.00 0.60 N ATOM 1464 CA THR A 95 24.239 -4.665 81.507 1.00 0.71 C ATOM 1465 C THR A 95 23.807 -5.108 80.102 1.00 0.64 C ATOM 1466 O THR A 95 24.409 -4.750 79.111 1.00 0.73 O ATOM 1467 CB THR A 95 25.429 -3.690 81.409 1.00 0.94 C ATOM 1468 OG1 THR A 95 26.392 -4.014 82.397 1.00 1.73 O ATOM 1469 CG2 THR A 95 24.947 -2.252 81.625 1.00 0.93 C ATOM 0 H THR A 95 25.119 -6.598 81.716 1.00 0.60 H new ATOM 0 HA THR A 95 23.419 -4.154 82.013 1.00 0.71 H new ATOM 0 HB THR A 95 25.876 -3.775 80.419 1.00 0.94 H new ATOM 0 HG1 THR A 95 26.932 -4.772 82.091 1.00 1.73 H new ATOM 0 HG21 THR A 95 25.794 -1.570 81.554 1.00 0.93 H new ATOM 0 HG22 THR A 95 24.211 -1.997 80.863 1.00 0.93 H new ATOM 0 HG23 THR A 95 24.493 -2.165 82.612 1.00 0.93 H new ATOM 1477 N VAL A 96 22.789 -5.924 80.015 1.00 0.59 N ATOM 1478 CA VAL A 96 22.347 -6.427 78.686 1.00 0.66 C ATOM 1479 C VAL A 96 21.409 -5.428 77.981 1.00 0.59 C ATOM 1480 O VAL A 96 21.130 -5.578 76.807 1.00 0.67 O ATOM 1481 CB VAL A 96 21.640 -7.783 78.884 1.00 0.81 C ATOM 1482 CG1 VAL A 96 20.542 -7.982 77.830 1.00 0.71 C ATOM 1483 CG2 VAL A 96 22.666 -8.919 78.762 1.00 1.15 C ATOM 0 H VAL A 96 22.246 -6.263 80.809 1.00 0.59 H new ATOM 0 HA VAL A 96 23.221 -6.548 78.046 1.00 0.66 H new ATOM 0 HB VAL A 96 21.185 -7.794 79.874 1.00 0.81 H new ATOM 0 HG11 VAL A 96 20.056 -8.945 77.988 1.00 0.71 H new ATOM 0 HG12 VAL A 96 19.804 -7.184 77.918 1.00 0.71 H new ATOM 0 HG13 VAL A 96 20.985 -7.958 76.834 1.00 0.71 H new ATOM 0 HG21 VAL A 96 22.166 -9.877 78.902 1.00 1.15 H new ATOM 0 HG22 VAL A 96 23.125 -8.890 77.774 1.00 1.15 H new ATOM 0 HG23 VAL A 96 23.436 -8.797 79.524 1.00 1.15 H new ATOM 1493 N LYS A 97 20.913 -4.411 78.644 1.00 0.49 N ATOM 1494 CA LYS A 97 20.006 -3.473 77.905 1.00 0.50 C ATOM 1495 C LYS A 97 19.856 -2.112 78.609 1.00 0.42 C ATOM 1496 O LYS A 97 19.094 -1.276 78.168 1.00 0.47 O ATOM 1497 CB LYS A 97 18.625 -4.131 77.738 1.00 0.60 C ATOM 1498 CG LYS A 97 18.305 -4.301 76.243 1.00 0.94 C ATOM 1499 CD LYS A 97 17.241 -5.384 76.052 1.00 1.30 C ATOM 1500 CE LYS A 97 17.137 -5.738 74.564 1.00 1.59 C ATOM 1501 NZ LYS A 97 17.246 -4.492 73.743 1.00 2.00 N ATOM 0 H LYS A 97 21.086 -4.193 79.625 1.00 0.49 H new ATOM 0 HA LYS A 97 20.457 -3.277 76.932 1.00 0.50 H new ATOM 0 HB2 LYS A 97 18.612 -5.101 78.234 1.00 0.60 H new ATOM 0 HB3 LYS A 97 17.860 -3.518 78.215 1.00 0.60 H new ATOM 0 HG2 LYS A 97 17.952 -3.356 75.829 1.00 0.94 H new ATOM 0 HG3 LYS A 97 19.210 -4.569 75.698 1.00 0.94 H new ATOM 0 HD2 LYS A 97 17.500 -6.270 76.631 1.00 1.30 H new ATOM 0 HD3 LYS A 97 16.278 -5.032 76.422 1.00 1.30 H new ATOM 0 HE2 LYS A 97 17.928 -6.437 74.290 1.00 1.59 H new ATOM 0 HE3 LYS A 97 16.188 -6.236 74.364 1.00 1.59 H new ATOM 0 HZ1 LYS A 97 16.895 -4.678 72.782 1.00 2.00 H new ATOM 0 HZ2 LYS A 97 16.678 -3.738 74.179 1.00 2.00 H new ATOM 0 HZ3 LYS A 97 18.241 -4.193 73.696 1.00 2.00 H new ATOM 1515 N GLY A 98 20.571 -1.852 79.670 1.00 0.34 N ATOM 1516 CA GLY A 98 20.433 -0.515 80.320 1.00 0.31 C ATOM 1517 C GLY A 98 21.088 0.523 79.409 1.00 0.33 C ATOM 1518 O GLY A 98 21.744 0.161 78.453 1.00 0.39 O ATOM 0 H GLY A 98 21.233 -2.492 80.109 1.00 0.34 H new ATOM 0 HA2 GLY A 98 19.382 -0.275 80.477 1.00 0.31 H new ATOM 0 HA3 GLY A 98 20.910 -0.517 81.300 1.00 0.31 H new ATOM 1522 N PRO A 99 20.918 1.780 79.729 1.00 0.34 N ATOM 1523 CA PRO A 99 21.523 2.859 78.935 1.00 0.40 C ATOM 1524 C PRO A 99 22.997 2.549 78.769 1.00 0.39 C ATOM 1525 O PRO A 99 23.498 2.353 77.680 1.00 0.43 O ATOM 1526 CB PRO A 99 21.315 4.125 79.780 1.00 0.46 C ATOM 1527 CG PRO A 99 20.397 3.743 80.973 1.00 0.40 C ATOM 1528 CD PRO A 99 20.139 2.224 80.895 1.00 0.35 C ATOM 0 HA PRO A 99 21.091 2.975 77.941 1.00 0.40 H new ATOM 0 HB2 PRO A 99 22.270 4.508 80.139 1.00 0.46 H new ATOM 0 HB3 PRO A 99 20.859 4.914 79.182 1.00 0.46 H new ATOM 0 HG2 PRO A 99 20.871 4.003 81.919 1.00 0.40 H new ATOM 0 HG3 PRO A 99 19.458 4.294 80.925 1.00 0.40 H new ATOM 0 HD2 PRO A 99 20.463 1.719 81.805 1.00 0.35 H new ATOM 0 HD3 PRO A 99 19.078 2.007 80.770 1.00 0.35 H new ATOM 1536 N ASP A 100 23.677 2.481 79.863 1.00 0.42 N ATOM 1537 CA ASP A 100 25.118 2.156 79.829 1.00 0.47 C ATOM 1538 C ASP A 100 25.576 1.806 81.242 1.00 0.43 C ATOM 1539 O ASP A 100 25.012 0.951 81.902 1.00 0.43 O ATOM 1540 CB ASP A 100 25.903 3.362 79.309 1.00 0.58 C ATOM 1541 CG ASP A 100 27.331 2.932 78.966 1.00 0.65 C ATOM 1542 OD1 ASP A 100 27.665 1.790 79.233 1.00 1.30 O ATOM 1543 OD2 ASP A 100 28.066 3.753 78.443 1.00 1.25 O ATOM 0 H ASP A 100 23.293 2.639 80.795 1.00 0.42 H new ATOM 0 HA ASP A 100 25.294 1.309 79.166 1.00 0.47 H new ATOM 0 HB2 ASP A 100 25.414 3.774 78.426 1.00 0.58 H new ATOM 0 HB3 ASP A 100 25.920 4.150 80.062 1.00 0.58 H new ATOM 1548 N GLY A 101 26.587 2.463 81.715 1.00 0.44 N ATOM 1549 CA GLY A 101 27.083 2.173 83.083 1.00 0.49 C ATOM 1550 C GLY A 101 26.012 2.546 84.110 1.00 0.43 C ATOM 1551 O GLY A 101 26.231 2.461 85.304 1.00 0.48 O ATOM 0 H GLY A 101 27.095 3.192 81.213 1.00 0.44 H new ATOM 0 HA2 GLY A 101 27.334 1.116 83.173 1.00 0.49 H new ATOM 0 HA3 GLY A 101 27.997 2.735 83.276 1.00 0.49 H new ATOM 1555 N LEU A 102 24.849 2.951 83.668 1.00 0.37 N ATOM 1556 CA LEU A 102 23.796 3.322 84.648 1.00 0.35 C ATOM 1557 C LEU A 102 23.628 2.189 85.636 1.00 0.31 C ATOM 1558 O LEU A 102 23.839 2.357 86.820 1.00 0.34 O ATOM 1559 CB LEU A 102 22.464 3.588 83.942 1.00 0.36 C ATOM 1560 CG LEU A 102 21.349 3.845 84.979 1.00 0.39 C ATOM 1561 CD1 LEU A 102 20.208 4.640 84.326 1.00 0.56 C ATOM 1562 CD2 LEU A 102 20.792 2.515 85.521 1.00 0.29 C ATOM 0 H LEU A 102 24.589 3.039 82.686 1.00 0.37 H new ATOM 0 HA LEU A 102 24.097 4.233 85.165 1.00 0.35 H new ATOM 0 HB2 LEU A 102 22.561 4.449 83.281 1.00 0.36 H new ATOM 0 HB3 LEU A 102 22.199 2.735 83.317 1.00 0.36 H new ATOM 0 HG LEU A 102 21.774 4.414 85.806 1.00 0.39 H new ATOM 0 HD11 LEU A 102 19.423 4.820 85.060 1.00 0.56 H new ATOM 0 HD12 LEU A 102 20.590 5.594 83.963 1.00 0.56 H new ATOM 0 HD13 LEU A 102 19.800 4.071 83.490 1.00 0.56 H new ATOM 0 HD21 LEU A 102 20.008 2.719 86.250 1.00 0.29 H new ATOM 0 HD22 LEU A 102 20.380 1.931 84.698 1.00 0.29 H new ATOM 0 HD23 LEU A 102 21.594 1.952 85.999 1.00 0.29 H new ATOM 1574 N THR A 103 23.252 1.035 85.157 1.00 0.30 N ATOM 1575 CA THR A 103 23.064 -0.131 86.065 1.00 0.33 C ATOM 1576 C THR A 103 23.162 0.315 87.525 1.00 0.32 C ATOM 1577 O THR A 103 22.259 0.920 88.062 1.00 0.30 O ATOM 1578 CB THR A 103 24.146 -1.172 85.779 1.00 0.43 C ATOM 1579 OG1 THR A 103 24.229 -2.069 86.875 1.00 0.72 O ATOM 1580 CG2 THR A 103 25.495 -0.472 85.577 1.00 0.72 C ATOM 0 H THR A 103 23.066 0.849 84.171 1.00 0.30 H new ATOM 0 HA THR A 103 22.078 -0.563 85.892 1.00 0.33 H new ATOM 0 HB THR A 103 23.894 -1.725 84.874 1.00 0.43 H new ATOM 0 HG1 THR A 103 23.510 -2.731 86.811 1.00 0.72 H new ATOM 0 HG21 THR A 103 26.264 -1.217 85.373 1.00 0.72 H new ATOM 0 HG22 THR A 103 25.425 0.217 84.735 1.00 0.72 H new ATOM 0 HG23 THR A 103 25.756 0.082 86.479 1.00 0.72 H new ATOM 1588 N ALA A 104 24.249 0.012 88.172 1.00 0.38 N ATOM 1589 CA ALA A 104 24.398 0.399 89.605 1.00 0.41 C ATOM 1590 C ALA A 104 25.055 1.779 89.745 1.00 0.45 C ATOM 1591 O ALA A 104 24.839 2.482 90.716 1.00 0.48 O ATOM 1592 CB ALA A 104 25.265 -0.644 90.311 1.00 0.48 C ATOM 0 H ALA A 104 25.044 -0.488 87.773 1.00 0.38 H new ATOM 0 HA ALA A 104 23.407 0.446 90.056 1.00 0.41 H new ATOM 0 HB1 ALA A 104 25.381 -0.371 91.360 1.00 0.48 H new ATOM 0 HB2 ALA A 104 24.788 -1.622 90.241 1.00 0.48 H new ATOM 0 HB3 ALA A 104 26.245 -0.684 89.836 1.00 0.48 H new ATOM 1598 N LEU A 105 25.882 2.158 88.810 1.00 0.47 N ATOM 1599 CA LEU A 105 26.589 3.463 88.910 1.00 0.53 C ATOM 1600 C LEU A 105 25.617 4.643 89.000 1.00 0.51 C ATOM 1601 O LEU A 105 25.492 5.264 90.038 1.00 0.55 O ATOM 1602 CB LEU A 105 27.481 3.642 87.685 1.00 0.58 C ATOM 1603 CG LEU A 105 28.269 2.353 87.421 1.00 0.60 C ATOM 1604 CD1 LEU A 105 29.293 2.590 86.306 1.00 0.71 C ATOM 1605 CD2 LEU A 105 28.999 1.930 88.698 1.00 0.67 C ATOM 0 H LEU A 105 26.099 1.614 87.975 1.00 0.47 H new ATOM 0 HA LEU A 105 27.181 3.451 89.825 1.00 0.53 H new ATOM 0 HB2 LEU A 105 26.873 3.892 86.815 1.00 0.58 H new ATOM 0 HB3 LEU A 105 28.168 4.473 87.843 1.00 0.58 H new ATOM 0 HG LEU A 105 27.578 1.567 87.116 1.00 0.60 H new ATOM 0 HD11 LEU A 105 29.850 1.671 86.122 1.00 0.71 H new ATOM 0 HD12 LEU A 105 28.776 2.889 85.394 1.00 0.71 H new ATOM 0 HD13 LEU A 105 29.983 3.379 86.607 1.00 0.71 H new ATOM 0 HD21 LEU A 105 29.559 1.014 88.510 1.00 0.67 H new ATOM 0 HD22 LEU A 105 29.686 2.719 89.003 1.00 0.67 H new ATOM 0 HD23 LEU A 105 28.272 1.755 89.491 1.00 0.67 H new ATOM 1617 N GLU A 106 24.961 4.996 87.928 1.00 0.49 N ATOM 1618 CA GLU A 106 24.054 6.171 87.984 1.00 0.51 C ATOM 1619 C GLU A 106 22.708 5.786 88.604 1.00 0.47 C ATOM 1620 O GLU A 106 21.797 6.588 88.664 1.00 0.52 O ATOM 1621 CB GLU A 106 23.833 6.718 86.570 1.00 0.56 C ATOM 1622 CG GLU A 106 25.179 7.097 85.940 1.00 1.57 C ATOM 1623 CD GLU A 106 25.569 8.513 86.369 1.00 2.21 C ATOM 1624 OE1 GLU A 106 25.631 8.754 87.563 1.00 2.98 O ATOM 1625 OE2 GLU A 106 25.796 9.334 85.495 1.00 2.36 O ATOM 0 H GLU A 106 25.015 4.525 87.025 1.00 0.49 H new ATOM 0 HA GLU A 106 24.516 6.938 88.606 1.00 0.51 H new ATOM 0 HB2 GLU A 106 23.332 5.970 85.956 1.00 0.56 H new ATOM 0 HB3 GLU A 106 23.180 7.590 86.606 1.00 0.56 H new ATOM 0 HG2 GLU A 106 25.948 6.389 86.248 1.00 1.57 H new ATOM 0 HG3 GLU A 106 25.111 7.041 84.854 1.00 1.57 H new ATOM 1632 N ALA A 107 22.568 4.575 89.070 1.00 0.41 N ATOM 1633 CA ALA A 107 21.269 4.175 89.686 1.00 0.39 C ATOM 1634 C ALA A 107 21.143 4.748 91.104 1.00 0.37 C ATOM 1635 O ALA A 107 20.240 5.509 91.388 1.00 0.44 O ATOM 1636 CB ALA A 107 21.175 2.654 89.756 1.00 0.36 C ATOM 0 H ALA A 107 23.287 3.852 89.052 1.00 0.41 H new ATOM 0 HA ALA A 107 20.463 4.570 89.068 1.00 0.39 H new ATOM 0 HB1 ALA A 107 20.224 2.369 90.207 1.00 0.36 H new ATOM 0 HB2 ALA A 107 21.239 2.239 88.750 1.00 0.36 H new ATOM 0 HB3 ALA A 107 21.994 2.266 90.361 1.00 0.36 H new ATOM 1642 N THR A 108 22.016 4.378 92.008 1.00 0.33 N ATOM 1643 CA THR A 108 21.894 4.900 93.402 1.00 0.35 C ATOM 1644 C THR A 108 23.269 5.064 94.051 1.00 0.36 C ATOM 1645 O THR A 108 24.239 5.409 93.406 1.00 0.39 O ATOM 1646 CB THR A 108 21.073 3.919 94.235 1.00 0.36 C ATOM 1647 OG1 THR A 108 20.983 4.395 95.571 1.00 0.48 O ATOM 1648 CG2 THR A 108 21.757 2.550 94.221 1.00 0.39 C ATOM 0 H THR A 108 22.799 3.745 91.843 1.00 0.33 H new ATOM 0 HA THR A 108 21.406 5.874 93.362 1.00 0.35 H new ATOM 0 HB THR A 108 20.071 3.829 93.816 1.00 0.36 H new ATOM 0 HG1 THR A 108 20.455 3.767 96.107 1.00 0.48 H new ATOM 0 HG21 THR A 108 21.174 1.846 94.815 1.00 0.39 H new ATOM 0 HG22 THR A 108 21.827 2.189 93.195 1.00 0.39 H new ATOM 0 HG23 THR A 108 22.758 2.639 94.643 1.00 0.39 H new ATOM 1656 N ASP A 109 23.351 4.831 95.341 1.00 0.38 N ATOM 1657 CA ASP A 109 24.649 4.984 96.052 1.00 0.41 C ATOM 1658 C ASP A 109 24.764 3.976 97.205 1.00 0.41 C ATOM 1659 O ASP A 109 25.740 3.968 97.928 1.00 0.43 O ATOM 1660 CB ASP A 109 24.745 6.402 96.619 1.00 0.48 C ATOM 1661 CG ASP A 109 26.041 6.547 97.417 1.00 0.53 C ATOM 1662 OD1 ASP A 109 27.081 6.702 96.798 1.00 1.21 O ATOM 1663 OD2 ASP A 109 25.972 6.499 98.634 1.00 1.22 O ATOM 0 H ASP A 109 22.569 4.541 95.928 1.00 0.38 H new ATOM 0 HA ASP A 109 25.457 4.800 95.344 1.00 0.41 H new ATOM 0 HB2 ASP A 109 24.721 7.131 95.809 1.00 0.48 H new ATOM 0 HB3 ASP A 109 23.887 6.608 97.259 1.00 0.48 H new ATOM 1668 N ASN A 110 23.786 3.126 97.398 1.00 0.40 N ATOM 1669 CA ASN A 110 23.880 2.140 98.522 1.00 0.42 C ATOM 1670 C ASN A 110 24.809 0.985 98.123 1.00 0.40 C ATOM 1671 O ASN A 110 25.016 0.715 96.956 1.00 0.40 O ATOM 1672 CB ASN A 110 22.491 1.597 98.868 1.00 0.44 C ATOM 1673 CG ASN A 110 21.812 1.081 97.606 1.00 0.48 C ATOM 1674 OD1 ASN A 110 20.642 0.749 97.622 1.00 0.84 O ATOM 1675 ND2 ASN A 110 22.499 1.000 96.505 1.00 0.58 N ATOM 0 H ASN A 110 22.937 3.071 96.835 1.00 0.40 H new ATOM 0 HA ASN A 110 24.288 2.642 99.399 1.00 0.42 H new ATOM 0 HB2 ASN A 110 22.576 0.795 99.601 1.00 0.44 H new ATOM 0 HB3 ASN A 110 21.886 2.381 99.323 1.00 0.44 H new ATOM 0 HD21 ASN A 110 22.057 0.657 95.652 1.00 0.58 H new ATOM 0 HD22 ASN A 110 23.480 1.279 96.494 1.00 0.58 H new ATOM 1682 N GLN A 111 25.384 0.316 99.088 1.00 0.42 N ATOM 1683 CA GLN A 111 26.319 -0.810 98.782 1.00 0.42 C ATOM 1684 C GLN A 111 25.552 -2.076 98.383 1.00 0.39 C ATOM 1685 O GLN A 111 26.142 -3.091 98.073 1.00 0.40 O ATOM 1686 CB GLN A 111 27.175 -1.113 100.016 1.00 0.49 C ATOM 1687 CG GLN A 111 28.157 -2.247 99.694 1.00 0.54 C ATOM 1688 CD GLN A 111 29.371 -2.166 100.621 1.00 0.73 C ATOM 1689 OE1 GLN A 111 29.501 -1.239 101.397 1.00 1.40 O ATOM 1690 NE2 GLN A 111 30.272 -3.109 100.572 1.00 1.36 N ATOM 0 H GLN A 111 25.246 0.502 100.081 1.00 0.42 H new ATOM 0 HA GLN A 111 26.951 -0.509 97.946 1.00 0.42 H new ATOM 0 HB2 GLN A 111 27.721 -0.220 100.320 1.00 0.49 H new ATOM 0 HB3 GLN A 111 26.537 -1.397 100.853 1.00 0.49 H new ATOM 0 HG2 GLN A 111 27.663 -3.211 99.812 1.00 0.54 H new ATOM 0 HG3 GLN A 111 28.477 -2.178 98.654 1.00 0.54 H new ATOM 0 HE21 GLN A 111 30.162 -3.886 99.921 1.00 1.36 H new ATOM 0 HE22 GLN A 111 31.086 -3.069 101.185 1.00 1.36 H new ATOM 1699 N ALA A 112 24.249 -2.046 98.401 1.00 0.36 N ATOM 1700 CA ALA A 112 23.481 -3.271 98.041 1.00 0.35 C ATOM 1701 C ALA A 112 23.361 -3.380 96.524 1.00 0.34 C ATOM 1702 O ALA A 112 23.653 -4.404 95.932 1.00 0.38 O ATOM 1703 CB ALA A 112 22.089 -3.206 98.667 1.00 0.35 C ATOM 0 H ALA A 112 23.685 -1.232 98.648 1.00 0.36 H new ATOM 0 HA ALA A 112 24.006 -4.148 98.420 1.00 0.35 H new ATOM 0 HB1 ALA A 112 21.529 -4.103 98.402 1.00 0.35 H new ATOM 0 HB2 ALA A 112 22.180 -3.142 99.751 1.00 0.35 H new ATOM 0 HB3 ALA A 112 21.563 -2.327 98.294 1.00 0.35 H new ATOM 1709 N ILE A 113 22.966 -2.329 95.887 1.00 0.33 N ATOM 1710 CA ILE A 113 22.861 -2.368 94.407 1.00 0.34 C ATOM 1711 C ILE A 113 24.269 -2.470 93.866 1.00 0.31 C ATOM 1712 O ILE A 113 24.562 -3.244 92.974 1.00 0.34 O ATOM 1713 CB ILE A 113 22.225 -1.077 93.891 1.00 0.38 C ATOM 1714 CG1 ILE A 113 20.704 -1.160 94.014 1.00 0.45 C ATOM 1715 CG2 ILE A 113 22.598 -0.867 92.417 1.00 0.54 C ATOM 1716 CD1 ILE A 113 20.256 -0.821 95.440 1.00 0.45 C ATOM 0 H ILE A 113 22.710 -1.442 96.321 1.00 0.33 H new ATOM 0 HA ILE A 113 22.246 -3.211 94.090 1.00 0.34 H new ATOM 0 HB ILE A 113 22.594 -0.241 94.486 1.00 0.38 H new ATOM 0 HG12 ILE A 113 20.239 -0.472 93.308 1.00 0.45 H new ATOM 0 HG13 ILE A 113 20.367 -2.163 93.750 1.00 0.45 H new ATOM 0 HG21 ILE A 113 22.142 0.054 92.054 1.00 0.54 H new ATOM 0 HG22 ILE A 113 23.682 -0.798 92.322 1.00 0.54 H new ATOM 0 HG23 ILE A 113 22.235 -1.708 91.826 1.00 0.54 H new ATOM 0 HD11 ILE A 113 19.170 -0.886 95.505 1.00 0.45 H new ATOM 0 HD12 ILE A 113 20.705 -1.526 96.140 1.00 0.45 H new ATOM 0 HD13 ILE A 113 20.575 0.191 95.691 1.00 0.45 H new ATOM 1728 N LYS A 114 25.154 -1.696 94.415 1.00 0.29 N ATOM 1729 CA LYS A 114 26.548 -1.755 93.952 1.00 0.30 C ATOM 1730 C LYS A 114 27.018 -3.200 94.089 1.00 0.33 C ATOM 1731 O LYS A 114 27.959 -3.627 93.449 1.00 0.36 O ATOM 1732 CB LYS A 114 27.419 -0.830 94.806 1.00 0.34 C ATOM 1733 CG LYS A 114 26.822 0.585 94.807 1.00 0.35 C ATOM 1734 CD LYS A 114 27.410 1.392 93.646 1.00 0.58 C ATOM 1735 CE LYS A 114 26.720 2.756 93.567 1.00 0.80 C ATOM 1736 NZ LYS A 114 27.696 3.781 93.100 1.00 1.61 N ATOM 0 H LYS A 114 24.967 -1.028 95.163 1.00 0.29 H new ATOM 0 HA LYS A 114 26.625 -1.429 92.915 1.00 0.30 H new ATOM 0 HB2 LYS A 114 27.480 -1.210 95.826 1.00 0.34 H new ATOM 0 HB3 LYS A 114 28.436 -0.806 94.413 1.00 0.34 H new ATOM 0 HG2 LYS A 114 25.737 0.533 94.714 1.00 0.35 H new ATOM 0 HG3 LYS A 114 27.037 1.081 95.754 1.00 0.35 H new ATOM 0 HD2 LYS A 114 28.483 1.524 93.788 1.00 0.58 H new ATOM 0 HD3 LYS A 114 27.276 0.851 92.709 1.00 0.58 H new ATOM 0 HE2 LYS A 114 25.872 2.708 92.883 1.00 0.80 H new ATOM 0 HE3 LYS A 114 26.326 3.033 94.545 1.00 0.80 H new ATOM 0 HZ1 LYS A 114 27.227 4.708 93.046 1.00 1.61 H new ATOM 0 HZ2 LYS A 114 28.491 3.833 93.768 1.00 1.61 H new ATOM 0 HZ3 LYS A 114 28.052 3.518 92.159 1.00 1.61 H new ATOM 1750 N ALA A 115 26.344 -3.962 94.915 1.00 0.35 N ATOM 1751 CA ALA A 115 26.722 -5.384 95.091 1.00 0.41 C ATOM 1752 C ALA A 115 26.578 -6.087 93.746 1.00 0.40 C ATOM 1753 O ALA A 115 27.379 -6.925 93.387 1.00 0.45 O ATOM 1754 CB ALA A 115 25.800 -6.042 96.122 1.00 0.45 C ATOM 0 H ALA A 115 25.548 -3.653 95.473 1.00 0.35 H new ATOM 0 HA ALA A 115 27.750 -5.458 95.445 1.00 0.41 H new ATOM 0 HB1 ALA A 115 26.082 -7.087 96.248 1.00 0.45 H new ATOM 0 HB2 ALA A 115 25.893 -5.524 97.076 1.00 0.45 H new ATOM 0 HB3 ALA A 115 24.768 -5.984 95.777 1.00 0.45 H new ATOM 1760 N LEU A 116 25.571 -5.736 92.986 1.00 0.36 N ATOM 1761 CA LEU A 116 25.399 -6.378 91.648 1.00 0.38 C ATOM 1762 C LEU A 116 26.519 -5.879 90.726 1.00 0.41 C ATOM 1763 O LEU A 116 26.817 -6.469 89.703 1.00 0.49 O ATOM 1764 CB LEU A 116 24.029 -5.997 91.055 1.00 0.36 C ATOM 1765 CG LEU A 116 23.278 -7.237 90.534 1.00 0.37 C ATOM 1766 CD1 LEU A 116 22.119 -6.777 89.644 1.00 0.38 C ATOM 1767 CD2 LEU A 116 24.212 -8.135 89.704 1.00 0.50 C ATOM 0 H LEU A 116 24.867 -5.040 93.231 1.00 0.36 H new ATOM 0 HA LEU A 116 25.447 -7.463 91.746 1.00 0.38 H new ATOM 0 HB2 LEU A 116 23.428 -5.498 91.815 1.00 0.36 H new ATOM 0 HB3 LEU A 116 24.168 -5.285 90.241 1.00 0.36 H new ATOM 0 HG LEU A 116 22.909 -7.806 91.387 1.00 0.37 H new ATOM 0 HD11 LEU A 116 21.580 -7.647 89.269 1.00 0.38 H new ATOM 0 HD12 LEU A 116 21.440 -6.152 90.225 1.00 0.38 H new ATOM 0 HD13 LEU A 116 22.511 -6.204 88.804 1.00 0.38 H new ATOM 0 HD21 LEU A 116 23.659 -9.004 89.347 1.00 0.50 H new ATOM 0 HD22 LEU A 116 24.594 -7.573 88.852 1.00 0.50 H new ATOM 0 HD23 LEU A 116 25.045 -8.465 90.324 1.00 0.50 H new ATOM 1779 N LEU A 117 27.147 -4.792 91.084 1.00 0.41 N ATOM 1780 CA LEU A 117 28.248 -4.252 90.236 1.00 0.47 C ATOM 1781 C LEU A 117 29.539 -5.008 90.570 1.00 0.56 C ATOM 1782 O LEU A 117 30.562 -4.832 89.937 1.00 0.79 O ATOM 1783 CB LEU A 117 28.374 -2.737 90.503 1.00 0.54 C ATOM 1784 CG LEU A 117 29.836 -2.298 90.663 1.00 0.94 C ATOM 1785 CD1 LEU A 117 30.555 -2.335 89.304 1.00 1.06 C ATOM 1786 CD2 LEU A 117 29.864 -0.873 91.217 1.00 1.83 C ATOM 0 H LEU A 117 26.945 -4.254 91.927 1.00 0.41 H new ATOM 0 HA LEU A 117 28.043 -4.392 89.175 1.00 0.47 H new ATOM 0 HB2 LEU A 117 27.918 -2.185 89.681 1.00 0.54 H new ATOM 0 HB3 LEU A 117 27.818 -2.481 91.405 1.00 0.54 H new ATOM 0 HG LEU A 117 30.346 -2.977 91.346 1.00 0.94 H new ATOM 0 HD11 LEU A 117 31.591 -2.021 89.432 1.00 1.06 H new ATOM 0 HD12 LEU A 117 30.529 -3.350 88.906 1.00 1.06 H new ATOM 0 HD13 LEU A 117 30.055 -1.660 88.609 1.00 1.06 H new ATOM 0 HD21 LEU A 117 30.898 -0.549 91.335 1.00 1.83 H new ATOM 0 HD22 LEU A 117 29.351 -0.204 90.526 1.00 1.83 H new ATOM 0 HD23 LEU A 117 29.363 -0.849 92.185 1.00 1.83 H new ATOM 1798 N GLN A 118 29.497 -5.870 91.552 1.00 0.60 N ATOM 1799 CA GLN A 118 30.711 -6.646 91.905 1.00 0.75 C ATOM 1800 C GLN A 118 30.947 -7.721 90.835 1.00 1.02 C ATOM 1801 O GLN A 118 29.972 -8.180 90.258 1.00 1.59 O ATOM 1802 CB GLN A 118 30.508 -7.304 93.275 1.00 0.92 C ATOM 1803 CG GLN A 118 29.597 -8.533 93.141 1.00 1.55 C ATOM 1804 CD GLN A 118 30.424 -9.754 92.729 1.00 2.34 C ATOM 1805 OE1 GLN A 118 31.635 -9.749 92.835 1.00 2.97 O ATOM 1806 NE2 GLN A 118 29.813 -10.811 92.263 1.00 2.93 N ATOM 1807 OXT GLN A 118 32.094 -8.068 90.610 1.00 1.49 O ATOM 0 H GLN A 118 28.674 -6.067 92.121 1.00 0.60 H new ATOM 0 HA GLN A 118 31.578 -5.987 91.950 1.00 0.75 H new ATOM 0 HB2 GLN A 118 31.471 -7.599 93.691 1.00 0.92 H new ATOM 0 HB3 GLN A 118 30.067 -6.589 93.969 1.00 0.92 H new ATOM 0 HG2 GLN A 118 29.093 -8.727 94.088 1.00 1.55 H new ATOM 0 HG3 GLN A 118 28.821 -8.342 92.400 1.00 1.55 H new ATOM 0 HE21 GLN A 118 28.797 -10.815 92.174 1.00 2.93 H new ATOM 0 HE22 GLN A 118 30.352 -11.632 91.988 1.00 2.93 H new TER 1816 GLN A 118 END