USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1238 hydrogens (0 hets) HEADER CHEMOKINE (CHEMOATTRACTANT CYTOKINE) 21-JAN-96 1DOM TITLE SOLUTION STRUCTURE OF THE MONOCYTE CHEMOATTRACTANT PROTEIN- TITLE 2 1 DIMER USING HETERONUCLEAR, NMR, MINIMIZED AVERAGE TITLE 3 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: MCP-1; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: MCAF; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: BL21 KEYWDS HOMODIMER, HIGH RESOLUTION STRUCTURE, CHEMOATTRACTANT KEYWDS 2 CYTOKINE, CHEMOKINE (CHEMOATTRACTANT CYTOKINE) EXPDTA SOLUTION NMR AUTHOR P.J.DOMAILLE,T.M.HANDEL REVDAT 2 24-FEB-09 1DOM 1 VERSN REVDAT 1 14-OCT-96 1DOM 0 JRNL AUTH T.M.HANDEL,P.J.DOMAILLE JRNL TITL HETERONUCLEAR (1H, 13C, 15N) NMR ASSIGNMENTS AND JRNL TITL 2 SOLUTION STRUCTURE OF THE MONOCYTE CHEMOATTRACTANT JRNL TITL 3 PROTEIN-1 (MCP-1) DIMER. JRNL REF BIOCHEMISTRY V. 35 6569 1996 JRNL REFN ISSN 0006-2960 JRNL PMID 8639605 JRNL DOI 10.1021/BI9602270 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1DOM 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) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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 PRO A 2 94.21 -61.14 REMARK 500 ASP A 3 49.58 -88.22 REMARK 500 ALA A 4 64.19 -166.88 REMARK 500 THR A 10 108.77 -57.44 REMARK 500 TYR A 13 -41.75 -142.47 REMARK 500 THR A 16 107.52 -45.90 REMARK 500 LYS A 19 93.57 -55.27 REMARK 500 ARG A 30 106.98 -41.21 REMARK 500 THR A 32 39.16 173.21 REMARK 500 PHE A 43 87.49 -61.36 REMARK 500 THR A 45 -157.86 -60.24 REMARK 500 PRO B 2 94.21 -61.17 REMARK 500 ASP B 3 49.60 -88.25 REMARK 500 ALA B 4 64.23 -166.88 REMARK 500 THR B 10 108.78 -57.52 REMARK 500 TYR B 13 -41.82 -142.44 REMARK 500 THR B 16 107.53 -45.96 REMARK 500 LYS B 19 93.58 -55.34 REMARK 500 ARG B 30 106.89 -41.17 REMARK 500 THR B 32 39.20 173.15 REMARK 500 PHE B 43 87.47 -61.35 REMARK 500 THR B 45 -157.86 -60.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1DON RELATED DB: PDB DBREF 1DOM A 1 76 UNP P13500 CCL2_HUMAN 24 99 DBREF 1DOM B 1 76 UNP P13500 CCL2_HUMAN 24 99 SEQRES 1 A 76 GLN PRO ASP ALA ILE ASN ALA PRO VAL THR CYS CYS TYR SEQRES 2 A 76 ASN PHE THR ASN ARG LYS ILE SER VAL GLN ARG LEU ALA SEQRES 3 A 76 SER TYR ARG ARG ILE THR SER SER LYS CYS PRO LYS GLU SEQRES 4 A 76 ALA VAL ILE PHE LYS THR ILE VAL ALA LYS GLU ILE CYS SEQRES 5 A 76 ALA ASP PRO LYS GLN LYS TRP VAL GLN ASP SER MET ASP SEQRES 6 A 76 HIS LEU ASP LYS GLN THR GLN THR PRO LYS THR SEQRES 1 B 76 GLN PRO ASP ALA ILE ASN ALA PRO VAL THR CYS CYS TYR SEQRES 2 B 76 ASN PHE THR ASN ARG LYS ILE SER VAL GLN ARG LEU ALA SEQRES 3 B 76 SER TYR ARG ARG ILE THR SER SER LYS CYS PRO LYS GLU SEQRES 4 B 76 ALA VAL ILE PHE LYS THR ILE VAL ALA LYS GLU ILE CYS SEQRES 5 B 76 ALA ASP PRO LYS GLN LYS TRP VAL GLN ASP SER MET ASP SEQRES 6 B 76 HIS LEU ASP LYS GLN THR GLN THR PRO LYS THR HELIX 1 1 VAL A 60 ASP A 68 1 9 HELIX 2 2 VAL B 60 ASP B 68 1 9 SHEET 1 A 2 VAL A 9 CYS A 11 0 SHEET 2 A 2 VAL B 9 CYS B 11 -1 N CYS B 11 O VAL A 9 SHEET 1 B 2 VAL A 41 LYS A 44 0 SHEET 2 B 2 GLU A 50 ALA A 53 -1 N ALA A 53 O VAL A 41 SHEET 1 C 2 VAL B 41 LYS B 44 0 SHEET 2 C 2 GLU B 50 ALA B 53 -1 N ALA B 53 O VAL B 41 SSBOND *** CYS A 11 CYS A 36 1555 1555 2.03 SSBOND *** CYS A 12 CYS A 52 1555 1555 2.00 SSBOND *** CYS B 11 CYS B 36 1555 1555 2.03 SSBOND *** CYS B 12 CYS B 52 1555 1555 2.00 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.077) USER MOD Single : A 1 GLN N :NH3+ 153:sc= -0.205 (180deg=-1.35!) USER MOD Single : A 6 ASN :FLIP amide:sc= -4! F(o=-4.9,f=-4!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 13 TYR OH : rot 132:sc= -1.33! USER MOD Single : A 14 ASN :FLIP amide:sc= -3.07! C(o=-4.8!,f=-3.1!) USER MOD Single : A 16 THR OG1 : rot -105:sc= 0.506 USER MOD Single : A 17 ASN : amide:sc= -0.682 K(o=-0.68,f=-2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.1!) USER MOD Single : A 27 SER OG : rot 61:sc= 0.0078 USER MOD Single : A 28 TYR OH : rot 153:sc= 0.719 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.967 USER MOD Single : A 33 SER OG : rot 140:sc=-0.00875 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -88:sc= 0.51 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -135:sc= -0.13 (180deg=-0.864) USER MOD Single : A 57 GLN : amide:sc= -0.455 K(o=-0.46,f=-3.6!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.366 K(o=-0.37,f=-3!) USER MOD Single : A 63 SER OG : rot 97:sc= 1.18 USER MOD Single : A 64 MET CE :methyl -155:sc= -0.514 (180deg=-2.61!) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -3.57! C(o=-5!,f=-3.6!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -4.25! C(o=-4.2!,f=-7.5!) USER MOD Single : A 71 THR OG1 : rot -52:sc= 1.15 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.022) USER MOD Single : A 76 THR OG1 : rot 32:sc= 0.738 USER MOD Single : B 1 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.054) USER MOD Single : B 1 GLN N :NH3+ 151:sc= -0.31 (180deg=-1.39!) USER MOD Single : B 6 ASN :FLIP amide:sc= -3.96! C(o=-5!,f=-4!) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.028 USER MOD Single : B 13 TYR OH : rot 132:sc= -1.32! USER MOD Single : B 14 ASN :FLIP amide:sc= -3.1! C(o=-4.7!,f=-3.1!) USER MOD Single : B 16 THR OG1 : rot -105:sc= 0.534 USER MOD Single : B 17 ASN : amide:sc= -0.637 K(o=-0.64,f=-2.1!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 23 GLN : amide:sc= -0.133 K(o=-0.13,f=-2!) USER MOD Single : B 27 SER OG : rot 62:sc= 0.00684 USER MOD Single : B 28 TYR OH : rot 155:sc= 0.723 USER MOD Single : B 32 THR OG1 : rot 180:sc= -0.862 USER MOD Single : B 33 SER OG : rot 140:sc=-0.00104 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot -88:sc= 0.474 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 LYS NZ :NH3+ -154:sc= -0.153 (180deg=-0.808) USER MOD Single : B 57 GLN : amide:sc= -0.461 K(o=-0.46,f=-3.6!) USER MOD Single : B 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 GLN : amide:sc= -0.341 K(o=-0.34,f=-3!) USER MOD Single : B 63 SER OG : rot 102:sc= 1.09 USER MOD Single : B 64 MET CE :methyl -152:sc= -0.436 (180deg=-2.49!) USER MOD Single : B 66 HIS :FLIP no HD1:sc= -3.47! C(o=-5.1!,f=-3.5!) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 GLN : amide:sc= -4.17! C(o=-4.2!,f=-7.4!) USER MOD Single : B 71 THR OG1 : rot -12:sc= 1.07 USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 75 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0279) USER MOD Single : B 76 THR OG1 : rot 22:sc= 0.778 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 63.870 -23.035 -4.001 1.00 2.09 N ATOM 2 CA GLN A 1 65.000 -22.112 -3.695 1.00 1.89 C ATOM 3 C GLN A 1 64.534 -20.647 -3.880 1.00 1.67 C ATOM 4 O GLN A 1 63.676 -20.384 -4.699 1.00 1.56 O ATOM 5 CB GLN A 1 66.166 -22.402 -4.643 1.00 2.25 C ATOM 6 CG GLN A 1 65.643 -22.517 -6.076 1.00 2.89 C ATOM 7 CD GLN A 1 65.688 -23.981 -6.520 1.00 3.72 C ATOM 8 OE1 GLN A 1 64.714 -24.506 -7.023 1.00 4.02 O ATOM 9 NE2 GLN A 1 66.785 -24.667 -6.354 1.00 4.52 N ATOM 0 H1 GLN A 1 64.246 -23.949 -4.325 1.00 2.09 H new ATOM 0 H2 GLN A 1 63.298 -23.180 -3.144 1.00 2.09 H new ATOM 0 H3 GLN A 1 63.276 -22.621 -4.748 1.00 2.09 H new ATOM 0 HA GLN A 1 65.324 -22.262 -2.665 1.00 1.89 H new ATOM 0 HB2 GLN A 1 66.908 -21.606 -4.578 1.00 2.25 H new ATOM 0 HB3 GLN A 1 66.664 -23.326 -4.351 1.00 2.25 H new ATOM 0 HG2 GLN A 1 64.622 -22.140 -6.133 1.00 2.89 H new ATOM 0 HG3 GLN A 1 66.247 -21.904 -6.745 1.00 2.89 H new ATOM 0 HE21 GLN A 1 67.603 -24.227 -5.932 1.00 4.52 H new ATOM 0 HE22 GLN A 1 66.825 -25.643 -6.646 1.00 4.52 H new ATOM 20 N PRO A 2 65.114 -19.721 -3.104 1.00 1.75 N ATOM 21 CA PRO A 2 64.742 -18.307 -3.199 1.00 1.61 C ATOM 22 C PRO A 2 65.037 -17.773 -4.602 1.00 1.23 C ATOM 23 O PRO A 2 66.141 -17.363 -4.900 1.00 1.44 O ATOM 24 CB PRO A 2 65.617 -17.587 -2.156 1.00 1.86 C ATOM 25 CG PRO A 2 66.510 -18.667 -1.467 1.00 2.23 C ATOM 26 CD PRO A 2 66.160 -20.024 -2.102 1.00 2.13 C ATOM 0 HA PRO A 2 63.679 -18.151 -3.016 1.00 1.61 H new ATOM 0 HB2 PRO A 2 66.235 -16.826 -2.633 1.00 1.86 H new ATOM 0 HB3 PRO A 2 64.995 -17.077 -1.420 1.00 1.86 H new ATOM 0 HG2 PRO A 2 67.566 -18.438 -1.607 1.00 2.23 H new ATOM 0 HG3 PRO A 2 66.328 -18.687 -0.392 1.00 2.23 H new ATOM 0 HD2 PRO A 2 67.034 -20.478 -2.569 1.00 2.13 H new ATOM 0 HD3 PRO A 2 65.797 -20.728 -1.353 1.00 2.13 H new ATOM 34 N ASP A 3 64.061 -17.788 -5.472 1.00 1.14 N ATOM 35 CA ASP A 3 64.281 -17.303 -6.835 1.00 1.06 C ATOM 36 C ASP A 3 64.016 -15.795 -6.899 1.00 1.08 C ATOM 37 O ASP A 3 63.302 -15.316 -7.758 1.00 1.77 O ATOM 38 CB ASP A 3 63.344 -18.029 -7.808 1.00 1.46 C ATOM 39 CG ASP A 3 63.322 -19.529 -7.492 1.00 2.01 C ATOM 40 OD1 ASP A 3 64.201 -20.227 -7.969 1.00 2.52 O ATOM 41 OD2 ASP A 3 62.426 -19.951 -6.779 1.00 2.57 O ATOM 0 H ASP A 3 63.117 -18.122 -5.279 1.00 1.14 H new ATOM 0 HA ASP A 3 65.315 -17.501 -7.117 1.00 1.06 H new ATOM 0 HB2 ASP A 3 62.337 -17.618 -7.732 1.00 1.46 H new ATOM 0 HB3 ASP A 3 63.677 -17.870 -8.834 1.00 1.46 H new ATOM 46 N ALA A 4 64.590 -15.048 -6.002 1.00 0.60 N ATOM 47 CA ALA A 4 64.383 -13.573 -6.007 1.00 0.58 C ATOM 48 C ALA A 4 65.404 -12.929 -5.082 1.00 0.53 C ATOM 49 O ALA A 4 65.062 -12.340 -4.075 1.00 0.57 O ATOM 50 CB ALA A 4 62.976 -13.243 -5.511 1.00 0.67 C ATOM 0 H ALA A 4 65.198 -15.396 -5.260 1.00 0.60 H new ATOM 0 HA ALA A 4 64.503 -13.193 -7.022 1.00 0.58 H new ATOM 0 HB1 ALA A 4 62.832 -12.163 -5.517 1.00 0.67 H new ATOM 0 HB2 ALA A 4 62.240 -13.711 -6.165 1.00 0.67 H new ATOM 0 HB3 ALA A 4 62.850 -13.620 -4.496 1.00 0.67 H new ATOM 56 N ILE A 5 66.656 -13.039 -5.407 1.00 0.49 N ATOM 57 CA ILE A 5 67.697 -12.440 -4.543 1.00 0.48 C ATOM 58 C ILE A 5 68.054 -11.041 -5.033 1.00 0.45 C ATOM 59 O ILE A 5 68.696 -10.291 -4.326 1.00 0.44 O ATOM 60 CB ILE A 5 68.939 -13.324 -4.548 1.00 0.51 C ATOM 61 CG1 ILE A 5 68.617 -14.660 -3.883 1.00 0.78 C ATOM 62 CG2 ILE A 5 70.050 -12.633 -3.782 1.00 0.77 C ATOM 63 CD1 ILE A 5 69.175 -15.796 -4.733 1.00 1.37 C ATOM 0 H ILE A 5 67.003 -13.520 -6.237 1.00 0.49 H new ATOM 0 HA ILE A 5 67.311 -12.365 -3.526 1.00 0.48 H new ATOM 0 HB ILE A 5 69.258 -13.499 -5.576 1.00 0.51 H new ATOM 0 HG12 ILE A 5 69.048 -14.694 -2.882 1.00 0.78 H new ATOM 0 HG13 ILE A 5 67.539 -14.772 -3.769 1.00 0.78 H new ATOM 0 HG21 ILE A 5 70.940 -13.263 -3.784 1.00 0.77 H new ATOM 0 HG22 ILE A 5 70.280 -11.679 -4.256 1.00 0.77 H new ATOM 0 HG23 ILE A 5 69.730 -12.460 -2.754 1.00 0.77 H new ATOM 0 HD11 ILE A 5 68.946 -16.751 -4.260 1.00 1.37 H new ATOM 0 HD12 ILE A 5 68.723 -15.765 -5.724 1.00 1.37 H new ATOM 0 HD13 ILE A 5 70.256 -15.686 -4.824 1.00 1.37 H new ATOM 75 N ASN A 6 67.654 -10.687 -6.197 1.00 0.47 N ATOM 76 CA ASN A 6 67.946 -9.332 -6.677 1.00 0.47 C ATOM 77 C ASN A 6 66.780 -8.492 -6.251 1.00 0.45 C ATOM 78 O ASN A 6 65.989 -8.080 -7.045 1.00 0.48 O ATOM 79 CB ASN A 6 68.111 -9.240 -8.224 1.00 0.52 C ATOM 80 CG ASN A 6 67.908 -10.603 -8.917 1.00 0.55 C ATOM 81 OD1 ASN A 6 66.702 -11.102 -9.000 1.00 0.58 O flip ATOM 82 ND2 ASN A 6 68.856 -11.226 -9.348 1.00 0.56 N flip ATOM 0 H ASN A 6 67.133 -11.279 -6.844 1.00 0.47 H new ATOM 0 HA ASN A 6 68.897 -9.000 -6.261 1.00 0.47 H new ATOM 0 HB2 ASN A 6 67.393 -8.522 -8.622 1.00 0.52 H new ATOM 0 HB3 ASN A 6 69.105 -8.860 -8.459 1.00 0.52 H new ATOM 0 HD21 ASN A 6 69.796 -10.835 -9.282 1.00 0.56 H new ATOM 0 HD22 ASN A 6 68.713 -12.141 -9.776 1.00 0.56 H new ATOM 89 N ALA A 7 66.588 -8.369 -4.981 1.00 0.42 N ATOM 90 CA ALA A 7 65.426 -7.630 -4.476 1.00 0.43 C ATOM 91 C ALA A 7 65.852 -6.325 -3.800 1.00 0.40 C ATOM 92 O ALA A 7 66.824 -6.313 -3.072 1.00 0.38 O ATOM 93 CB ALA A 7 64.708 -8.455 -3.416 1.00 0.43 C ATOM 0 H ALA A 7 67.199 -8.757 -4.262 1.00 0.42 H new ATOM 0 HA ALA A 7 64.781 -7.423 -5.330 1.00 0.43 H new ATOM 0 HB1 ALA A 7 63.846 -7.900 -3.045 1.00 0.43 H new ATOM 0 HB2 ALA A 7 64.373 -9.396 -3.852 1.00 0.43 H new ATOM 0 HB3 ALA A 7 65.390 -8.660 -2.591 1.00 0.43 H new ATOM 99 N PRO A 8 65.031 -5.279 -3.937 1.00 0.42 N ATOM 100 CA PRO A 8 65.268 -4.063 -3.205 1.00 0.40 C ATOM 101 C PRO A 8 64.881 -4.340 -1.780 1.00 0.37 C ATOM 102 O PRO A 8 63.714 -4.480 -1.458 1.00 0.41 O ATOM 103 CB PRO A 8 64.345 -3.027 -3.811 1.00 0.47 C ATOM 104 CG PRO A 8 63.378 -3.786 -4.772 1.00 0.51 C ATOM 105 CD PRO A 8 63.864 -5.240 -4.838 1.00 0.48 C ATOM 0 HA PRO A 8 66.301 -3.717 -3.245 1.00 0.40 H new ATOM 0 HB2 PRO A 8 63.786 -2.506 -3.033 1.00 0.47 H new ATOM 0 HB3 PRO A 8 64.915 -2.273 -4.354 1.00 0.47 H new ATOM 0 HG2 PRO A 8 62.353 -3.738 -4.405 1.00 0.51 H new ATOM 0 HG3 PRO A 8 63.383 -3.332 -5.763 1.00 0.51 H new ATOM 0 HD2 PRO A 8 63.088 -5.933 -4.513 1.00 0.48 H new ATOM 0 HD3 PRO A 8 64.138 -5.522 -5.855 1.00 0.48 H new ATOM 113 N VAL A 9 65.831 -4.514 -0.947 1.00 0.31 N ATOM 114 CA VAL A 9 65.534 -4.893 0.441 1.00 0.30 C ATOM 115 C VAL A 9 65.343 -3.620 1.291 1.00 0.28 C ATOM 116 O VAL A 9 66.289 -3.005 1.746 1.00 0.35 O ATOM 117 CB VAL A 9 66.723 -5.693 0.941 1.00 0.30 C ATOM 118 CG1 VAL A 9 67.958 -4.834 0.818 1.00 0.30 C ATOM 119 CG2 VAL A 9 66.504 -6.112 2.375 1.00 0.32 C ATOM 0 H VAL A 9 66.822 -4.410 -1.165 1.00 0.31 H new ATOM 0 HA VAL A 9 64.620 -5.483 0.509 1.00 0.30 H new ATOM 0 HB VAL A 9 66.845 -6.598 0.346 1.00 0.30 H new ATOM 0 HG11 VAL A 9 68.825 -5.391 1.173 1.00 0.30 H new ATOM 0 HG12 VAL A 9 68.106 -4.557 -0.226 1.00 0.30 H new ATOM 0 HG13 VAL A 9 67.835 -3.933 1.418 1.00 0.30 H new ATOM 0 HG21 VAL A 9 67.364 -6.685 2.722 1.00 0.32 H new ATOM 0 HG22 VAL A 9 66.383 -5.226 2.998 1.00 0.32 H new ATOM 0 HG23 VAL A 9 65.607 -6.728 2.441 1.00 0.32 H new ATOM 129 N THR A 10 64.127 -3.204 1.486 1.00 0.24 N ATOM 130 CA THR A 10 63.894 -1.969 2.278 1.00 0.22 C ATOM 131 C THR A 10 64.513 -2.125 3.665 1.00 0.20 C ATOM 132 O THR A 10 64.018 -2.862 4.495 1.00 0.22 O ATOM 133 CB THR A 10 62.401 -1.716 2.414 1.00 0.26 C ATOM 134 OG1 THR A 10 61.756 -2.001 1.179 1.00 0.36 O ATOM 135 CG2 THR A 10 62.181 -0.256 2.783 1.00 0.23 C ATOM 0 H THR A 10 63.287 -3.663 1.133 1.00 0.24 H new ATOM 0 HA THR A 10 64.356 -1.125 1.766 1.00 0.22 H new ATOM 0 HB THR A 10 61.985 -2.359 3.190 1.00 0.26 H new ATOM 0 HG1 THR A 10 60.793 -1.839 1.268 1.00 0.36 H new ATOM 0 HG21 THR A 10 61.113 -0.063 2.883 1.00 0.23 H new ATOM 0 HG22 THR A 10 62.679 -0.041 3.728 1.00 0.23 H new ATOM 0 HG23 THR A 10 62.593 0.383 2.002 1.00 0.23 H new ATOM 143 N CYS A 11 65.587 -1.427 3.935 1.00 0.18 N ATOM 144 CA CYS A 11 66.218 -1.540 5.290 1.00 0.18 C ATOM 145 C CYS A 11 66.522 -0.158 5.851 1.00 0.19 C ATOM 146 O CYS A 11 66.058 0.849 5.355 1.00 0.35 O ATOM 147 CB CYS A 11 67.522 -2.323 5.219 1.00 0.19 C ATOM 148 SG CYS A 11 67.263 -3.831 4.294 1.00 0.18 S ATOM 0 H CYS A 11 66.051 -0.791 3.287 1.00 0.18 H new ATOM 0 HA CYS A 11 65.512 -2.061 5.937 1.00 0.18 H new ATOM 0 HB2 CYS A 11 68.295 -1.720 4.743 1.00 0.19 H new ATOM 0 HB3 CYS A 11 67.874 -2.556 6.224 1.00 0.19 H new ATOM 153 N CYS A 12 67.308 -0.112 6.889 1.00 0.13 N ATOM 154 CA CYS A 12 67.668 1.192 7.512 1.00 0.13 C ATOM 155 C CYS A 12 69.182 1.276 7.708 1.00 0.17 C ATOM 156 O CYS A 12 69.929 0.414 7.293 1.00 0.27 O ATOM 157 CB CYS A 12 67.019 1.297 8.891 1.00 0.13 C ATOM 158 SG CYS A 12 65.282 0.856 8.792 1.00 0.17 S ATOM 0 H CYS A 12 67.721 -0.930 7.337 1.00 0.13 H new ATOM 0 HA CYS A 12 67.323 1.994 6.859 1.00 0.13 H new ATOM 0 HB2 CYS A 12 67.530 0.638 9.593 1.00 0.13 H new ATOM 0 HB3 CYS A 12 67.123 2.312 9.274 1.00 0.13 H new ATOM 163 N TYR A 13 69.615 2.284 8.408 1.00 0.16 N ATOM 164 CA TYR A 13 71.070 2.431 8.733 1.00 0.19 C ATOM 165 C TYR A 13 71.201 2.989 10.159 1.00 0.18 C ATOM 166 O TYR A 13 72.031 2.558 10.934 1.00 0.29 O ATOM 167 CB TYR A 13 71.747 3.404 7.757 1.00 0.30 C ATOM 168 CG TYR A 13 71.848 2.779 6.387 1.00 0.26 C ATOM 169 CD1 TYR A 13 72.186 1.385 6.239 1.00 0.51 C ATOM 170 CD2 TYR A 13 71.587 3.576 5.226 1.00 0.54 C ATOM 171 CE1 TYR A 13 72.250 0.800 4.936 1.00 0.80 C ATOM 172 CE2 TYR A 13 71.658 2.988 3.927 1.00 0.81 C ATOM 173 CZ TYR A 13 71.979 1.597 3.780 1.00 0.91 C ATOM 174 OH TYR A 13 72.026 1.028 2.528 1.00 1.25 O ATOM 0 H TYR A 13 69.019 3.025 8.776 1.00 0.16 H new ATOM 0 HA TYR A 13 71.552 1.457 8.651 1.00 0.19 H new ATOM 0 HB2 TYR A 13 71.176 4.331 7.701 1.00 0.30 H new ATOM 0 HB3 TYR A 13 72.741 3.663 8.121 1.00 0.30 H new ATOM 0 HD1 TYR A 13 72.391 0.783 7.112 1.00 0.51 H new ATOM 0 HD2 TYR A 13 71.337 4.621 5.333 1.00 0.54 H new ATOM 0 HE1 TYR A 13 72.503 -0.244 4.825 1.00 0.80 H new ATOM 0 HE2 TYR A 13 71.469 3.592 3.052 1.00 0.81 H new ATOM 0 HH TYR A 13 71.223 1.279 2.024 1.00 1.25 H new ATOM 184 N ASN A 14 70.374 3.948 10.507 1.00 0.18 N ATOM 185 CA ASN A 14 70.428 4.538 11.867 1.00 0.16 C ATOM 186 C ASN A 14 69.068 4.355 12.525 1.00 0.16 C ATOM 187 O ASN A 14 68.180 3.747 11.958 1.00 0.22 O ATOM 188 CB ASN A 14 70.741 6.030 11.749 1.00 0.22 C ATOM 189 CG ASN A 14 72.064 6.208 11.016 1.00 0.18 C ATOM 190 OD1 ASN A 14 72.049 6.538 9.760 1.00 0.24 O flip ATOM 191 ND2 ASN A 14 73.121 6.045 11.591 1.00 0.22 N flip ATOM 0 H ASN A 14 69.661 4.345 9.895 1.00 0.18 H new ATOM 0 HA ASN A 14 71.199 4.051 12.464 1.00 0.16 H new ATOM 0 HB2 ASN A 14 69.942 6.540 11.211 1.00 0.22 H new ATOM 0 HB3 ASN A 14 70.797 6.481 12.740 1.00 0.22 H new ATOM 0 HD21 ASN A 14 73.130 5.786 12.577 1.00 0.22 H new ATOM 0 HD22 ASN A 14 74.000 6.167 11.088 1.00 0.22 H new ATOM 198 N PHE A 15 68.877 4.881 13.704 1.00 0.14 N ATOM 199 CA PHE A 15 67.552 4.731 14.358 1.00 0.13 C ATOM 200 C PHE A 15 67.248 5.947 15.235 1.00 0.14 C ATOM 201 O PHE A 15 67.960 6.235 16.177 1.00 0.14 O ATOM 202 CB PHE A 15 67.534 3.467 15.231 1.00 0.15 C ATOM 203 CG PHE A 15 67.747 2.241 14.370 1.00 0.18 C ATOM 204 CD1 PHE A 15 66.804 1.912 13.336 1.00 0.40 C ATOM 205 CD2 PHE A 15 68.890 1.401 14.591 1.00 0.35 C ATOM 206 CE1 PHE A 15 67.008 0.745 12.525 1.00 0.43 C ATOM 207 CE2 PHE A 15 69.092 0.235 13.779 1.00 0.37 C ATOM 208 CZ PHE A 15 68.152 -0.093 12.746 1.00 0.27 C ATOM 0 H PHE A 15 69.574 5.402 14.236 1.00 0.14 H new ATOM 0 HA PHE A 15 66.794 4.650 13.579 1.00 0.13 H new ATOM 0 HB2 PHE A 15 68.314 3.528 15.990 1.00 0.15 H new ATOM 0 HB3 PHE A 15 66.582 3.392 15.757 1.00 0.15 H new ATOM 0 HD1 PHE A 15 65.943 2.542 13.169 1.00 0.40 H new ATOM 0 HD2 PHE A 15 69.598 1.647 15.369 1.00 0.35 H new ATOM 0 HE1 PHE A 15 66.300 0.498 11.748 1.00 0.43 H new ATOM 0 HE2 PHE A 15 69.952 -0.396 13.946 1.00 0.37 H new ATOM 0 HZ PHE A 15 68.305 -0.970 12.135 1.00 0.27 H new ATOM 218 N THR A 16 66.153 6.641 14.954 1.00 0.13 N ATOM 219 CA THR A 16 65.736 7.830 15.819 1.00 0.14 C ATOM 220 C THR A 16 65.852 7.420 17.295 1.00 0.15 C ATOM 221 O THR A 16 65.087 6.619 17.776 1.00 0.17 O ATOM 222 CB THR A 16 64.250 8.273 15.511 1.00 0.14 C ATOM 223 OG1 THR A 16 63.618 8.717 16.709 1.00 0.16 O ATOM 224 CG2 THR A 16 63.441 7.115 14.923 1.00 0.14 C ATOM 0 H THR A 16 65.530 6.442 14.171 1.00 0.13 H new ATOM 0 HA THR A 16 66.389 8.674 15.598 1.00 0.14 H new ATOM 0 HB THR A 16 64.286 9.084 14.783 1.00 0.14 H new ATOM 0 HG1 THR A 16 62.993 8.030 17.023 1.00 0.16 H new ATOM 0 HG21 THR A 16 62.423 7.448 14.721 1.00 0.14 H new ATOM 0 HG22 THR A 16 63.905 6.782 13.995 1.00 0.14 H new ATOM 0 HG23 THR A 16 63.418 6.289 15.634 1.00 0.14 H new ATOM 232 N ASN A 17 66.827 7.922 17.997 1.00 0.16 N ATOM 233 CA ASN A 17 66.981 7.515 19.419 1.00 0.18 C ATOM 234 C ASN A 17 66.469 8.621 20.337 1.00 0.20 C ATOM 235 O ASN A 17 66.759 8.644 21.516 1.00 0.24 O ATOM 236 CB ASN A 17 68.454 7.232 19.720 1.00 0.21 C ATOM 237 CG ASN A 17 68.586 6.656 21.131 1.00 1.13 C ATOM 238 OD1 ASN A 17 67.685 6.004 21.620 1.00 1.89 O ATOM 239 ND2 ASN A 17 69.679 6.871 21.810 1.00 1.85 N ATOM 0 H ASN A 17 67.517 8.589 17.653 1.00 0.16 H new ATOM 0 HA ASN A 17 66.399 6.610 19.594 1.00 0.18 H new ATOM 0 HB2 ASN A 17 68.857 6.530 18.990 1.00 0.21 H new ATOM 0 HB3 ASN A 17 69.036 8.149 19.635 1.00 0.21 H new ATOM 0 HD21 ASN A 17 69.777 6.492 22.752 1.00 1.85 H new ATOM 0 HD22 ASN A 17 70.435 7.418 21.399 1.00 1.85 H new ATOM 246 N ARG A 18 65.667 9.504 19.822 1.00 0.21 N ATOM 247 CA ARG A 18 65.089 10.561 20.677 1.00 0.23 C ATOM 248 C ARG A 18 63.612 10.259 20.839 1.00 0.25 C ATOM 249 O ARG A 18 62.947 9.908 19.889 1.00 0.38 O ATOM 250 CB ARG A 18 65.272 11.926 20.011 1.00 0.26 C ATOM 251 CG ARG A 18 66.680 12.450 20.299 1.00 0.67 C ATOM 252 CD ARG A 18 67.009 13.588 19.332 1.00 0.92 C ATOM 253 NE ARG A 18 66.628 14.894 19.950 1.00 1.62 N ATOM 254 CZ ARG A 18 66.541 15.991 19.219 1.00 2.13 C ATOM 255 NH1 ARG A 18 66.789 15.969 17.926 1.00 2.51 N ATOM 256 NH2 ARG A 18 66.204 17.116 19.788 1.00 2.81 N ATOM 0 H ARG A 18 65.388 9.536 18.841 1.00 0.21 H new ATOM 0 HA ARG A 18 65.585 10.585 21.648 1.00 0.23 H new ATOM 0 HB2 ARG A 18 65.117 11.841 18.935 1.00 0.26 H new ATOM 0 HB3 ARG A 18 64.527 12.628 20.386 1.00 0.26 H new ATOM 0 HG2 ARG A 18 66.745 12.803 21.328 1.00 0.67 H new ATOM 0 HG3 ARG A 18 67.408 11.646 20.192 1.00 0.67 H new ATOM 0 HD2 ARG A 18 68.073 13.582 19.096 1.00 0.92 H new ATOM 0 HD3 ARG A 18 66.473 13.448 18.393 1.00 0.92 H new ATOM 0 HE ARG A 18 66.432 14.939 20.950 1.00 1.62 H new ATOM 0 HH11 ARG A 18 67.053 15.095 17.472 1.00 2.51 H new ATOM 0 HH12 ARG A 18 66.717 16.826 17.378 1.00 2.51 H new ATOM 0 HH21 ARG A 18 66.010 17.143 20.789 1.00 2.81 H new ATOM 0 HH22 ARG A 18 66.134 17.968 19.232 1.00 2.81 H new ATOM 270 N LYS A 19 63.091 10.354 22.030 1.00 0.25 N ATOM 271 CA LYS A 19 61.647 10.034 22.232 1.00 0.25 C ATOM 272 C LYS A 19 60.802 10.887 21.288 1.00 0.26 C ATOM 273 O LYS A 19 60.443 12.007 21.592 1.00 0.35 O ATOM 274 CB LYS A 19 61.249 10.315 23.683 1.00 0.27 C ATOM 275 CG LYS A 19 62.311 9.745 24.626 1.00 0.68 C ATOM 276 CD LYS A 19 61.712 9.574 26.023 1.00 0.62 C ATOM 277 CE LYS A 19 62.434 8.439 26.752 1.00 1.09 C ATOM 278 NZ LYS A 19 62.372 8.675 28.223 1.00 1.69 N ATOM 0 H LYS A 19 63.597 10.637 22.869 1.00 0.25 H new ATOM 0 HA LYS A 19 61.477 8.979 22.017 1.00 0.25 H new ATOM 0 HB2 LYS A 19 61.146 11.389 23.841 1.00 0.27 H new ATOM 0 HB3 LYS A 19 60.279 9.867 23.898 1.00 0.27 H new ATOM 0 HG2 LYS A 19 62.668 8.786 24.252 1.00 0.68 H new ATOM 0 HG3 LYS A 19 63.172 10.412 24.667 1.00 0.68 H new ATOM 0 HD2 LYS A 19 61.807 10.502 26.587 1.00 0.62 H new ATOM 0 HD3 LYS A 19 60.647 9.354 25.949 1.00 0.62 H new ATOM 0 HE2 LYS A 19 61.972 7.483 26.506 1.00 1.09 H new ATOM 0 HE3 LYS A 19 63.472 8.385 26.425 1.00 1.09 H new ATOM 0 HZ1 LYS A 19 62.863 7.904 28.719 1.00 1.69 H new ATOM 0 HZ2 LYS A 19 62.832 9.580 28.449 1.00 1.69 H new ATOM 0 HZ3 LYS A 19 61.378 8.706 28.528 1.00 1.69 H new ATOM 292 N ILE A 20 60.488 10.358 20.144 1.00 0.27 N ATOM 293 CA ILE A 20 59.691 11.094 19.182 1.00 0.27 C ATOM 294 C ILE A 20 58.247 11.035 19.631 1.00 0.25 C ATOM 295 O ILE A 20 57.670 9.984 19.827 1.00 0.27 O ATOM 296 CB ILE A 20 59.905 10.482 17.753 1.00 0.28 C ATOM 297 CG1 ILE A 20 61.048 11.259 17.068 1.00 0.37 C ATOM 298 CG2 ILE A 20 58.622 10.560 16.865 1.00 0.22 C ATOM 299 CD1 ILE A 20 61.177 10.818 15.612 1.00 0.21 C ATOM 0 H ILE A 20 60.766 9.423 19.845 1.00 0.27 H new ATOM 0 HA ILE A 20 59.991 12.141 19.127 1.00 0.27 H new ATOM 0 HB ILE A 20 60.148 9.425 17.867 1.00 0.28 H new ATOM 0 HG12 ILE A 20 60.851 12.330 17.117 1.00 0.37 H new ATOM 0 HG13 ILE A 20 61.986 11.083 17.595 1.00 0.37 H new ATOM 0 HG21 ILE A 20 58.828 10.122 15.888 1.00 0.22 H new ATOM 0 HG22 ILE A 20 57.813 10.010 17.346 1.00 0.22 H new ATOM 0 HG23 ILE A 20 58.328 11.602 16.741 1.00 0.22 H new ATOM 0 HD11 ILE A 20 61.986 11.371 15.135 1.00 0.21 H new ATOM 0 HD12 ILE A 20 61.395 9.751 15.573 1.00 0.21 H new ATOM 0 HD13 ILE A 20 60.243 11.017 15.087 1.00 0.21 H new ATOM 311 N SER A 21 57.680 12.162 19.766 1.00 0.23 N ATOM 312 CA SER A 21 56.254 12.286 20.173 1.00 0.22 C ATOM 313 C SER A 21 55.375 11.279 19.407 1.00 0.22 C ATOM 314 O SER A 21 55.372 11.243 18.194 1.00 0.26 O ATOM 315 CB SER A 21 55.800 13.691 19.827 1.00 0.22 C ATOM 316 OG SER A 21 54.947 14.184 20.852 1.00 0.25 O ATOM 0 H SER A 21 58.149 13.054 19.609 1.00 0.23 H new ATOM 0 HA SER A 21 56.160 12.084 21.240 1.00 0.22 H new ATOM 0 HB2 SER A 21 56.664 14.345 19.714 1.00 0.22 H new ATOM 0 HB3 SER A 21 55.274 13.689 18.872 1.00 0.22 H new ATOM 0 HG SER A 21 54.656 15.092 20.627 1.00 0.25 H new ATOM 322 N VAL A 22 54.623 10.473 20.109 1.00 0.25 N ATOM 323 CA VAL A 22 53.745 9.499 19.429 1.00 0.32 C ATOM 324 C VAL A 22 52.824 10.241 18.442 1.00 0.28 C ATOM 325 O VAL A 22 52.308 9.666 17.504 1.00 0.34 O ATOM 326 CB VAL A 22 52.899 8.762 20.470 1.00 0.40 C ATOM 327 CG1 VAL A 22 52.072 9.774 21.265 1.00 0.27 C ATOM 328 CG2 VAL A 22 51.964 7.780 19.765 1.00 0.72 C ATOM 0 H VAL A 22 54.585 10.454 21.128 1.00 0.25 H new ATOM 0 HA VAL A 22 54.353 8.778 18.883 1.00 0.32 H new ATOM 0 HB VAL A 22 53.554 8.216 21.149 1.00 0.40 H new ATOM 0 HG11 VAL A 22 51.469 9.249 22.006 1.00 0.27 H new ATOM 0 HG12 VAL A 22 52.739 10.473 21.769 1.00 0.27 H new ATOM 0 HG13 VAL A 22 51.417 10.322 20.587 1.00 0.27 H new ATOM 0 HG21 VAL A 22 51.362 7.255 20.506 1.00 0.72 H new ATOM 0 HG22 VAL A 22 51.309 8.325 19.085 1.00 0.72 H new ATOM 0 HG23 VAL A 22 52.554 7.058 19.200 1.00 0.72 H new ATOM 338 N GLN A 23 52.638 11.521 18.644 1.00 0.23 N ATOM 339 CA GLN A 23 51.806 12.305 17.755 1.00 0.27 C ATOM 340 C GLN A 23 52.503 12.364 16.416 1.00 0.25 C ATOM 341 O GLN A 23 51.921 12.148 15.372 1.00 0.35 O ATOM 342 CB GLN A 23 51.612 13.719 18.408 1.00 0.28 C ATOM 343 CG GLN A 23 52.229 14.901 17.586 1.00 0.51 C ATOM 344 CD GLN A 23 51.598 16.220 18.034 1.00 0.52 C ATOM 345 OE1 GLN A 23 50.460 16.249 18.461 1.00 1.06 O ATOM 346 NE2 GLN A 23 52.293 17.322 17.956 1.00 1.36 N ATOM 0 H GLN A 23 53.050 12.046 19.415 1.00 0.23 H new ATOM 0 HA GLN A 23 50.817 11.873 17.599 1.00 0.27 H new ATOM 0 HB2 GLN A 23 50.546 13.902 18.540 1.00 0.28 H new ATOM 0 HB3 GLN A 23 52.059 13.711 19.402 1.00 0.28 H new ATOM 0 HG2 GLN A 23 53.309 14.934 17.732 1.00 0.51 H new ATOM 0 HG3 GLN A 23 52.056 14.746 16.521 1.00 0.51 H new ATOM 0 HE21 GLN A 23 53.248 17.299 17.598 1.00 1.36 H new ATOM 0 HE22 GLN A 23 51.881 18.207 18.253 1.00 1.36 H new ATOM 355 N ARG A 24 53.766 12.680 16.454 1.00 0.23 N ATOM 356 CA ARG A 24 54.543 12.788 15.215 1.00 0.28 C ATOM 357 C ARG A 24 54.430 11.526 14.430 1.00 0.33 C ATOM 358 O ARG A 24 54.481 11.525 13.222 1.00 0.68 O ATOM 359 CB ARG A 24 56.006 13.031 15.541 1.00 0.31 C ATOM 360 CG ARG A 24 56.144 14.324 16.310 1.00 0.61 C ATOM 361 CD ARG A 24 55.951 15.500 15.370 1.00 0.32 C ATOM 362 NE ARG A 24 56.584 16.719 15.959 1.00 0.86 N ATOM 363 CZ ARG A 24 56.308 17.922 15.487 1.00 1.40 C ATOM 364 NH1 ARG A 24 55.471 18.084 14.483 1.00 2.01 N ATOM 365 NH2 ARG A 24 56.875 18.968 16.024 1.00 1.73 N ATOM 0 H ARG A 24 54.290 12.868 17.309 1.00 0.23 H new ATOM 0 HA ARG A 24 54.151 13.621 14.631 1.00 0.28 H new ATOM 0 HB2 ARG A 24 56.401 12.202 16.129 1.00 0.31 H new ATOM 0 HB3 ARG A 24 56.591 13.078 14.623 1.00 0.31 H new ATOM 0 HG2 ARG A 24 55.407 14.362 17.112 1.00 0.61 H new ATOM 0 HG3 ARG A 24 57.127 14.377 16.778 1.00 0.61 H new ATOM 0 HD2 ARG A 24 56.395 15.280 14.399 1.00 0.32 H new ATOM 0 HD3 ARG A 24 54.888 15.674 15.202 1.00 0.32 H new ATOM 0 HE ARG A 24 57.238 16.621 16.736 1.00 0.86 H new ATOM 0 HH11 ARG A 24 55.023 17.273 14.056 1.00 2.01 H new ATOM 0 HH12 ARG A 24 55.270 19.021 14.132 1.00 2.01 H new ATOM 0 HH21 ARG A 24 57.525 18.853 16.801 1.00 1.73 H new ATOM 0 HH22 ARG A 24 56.668 19.900 15.666 1.00 1.73 H new ATOM 379 N LEU A 25 54.305 10.457 15.112 1.00 0.18 N ATOM 380 CA LEU A 25 54.240 9.170 14.452 1.00 0.17 C ATOM 381 C LEU A 25 52.915 8.973 13.786 1.00 0.19 C ATOM 382 O LEU A 25 51.962 8.509 14.384 1.00 0.41 O ATOM 383 CB LEU A 25 54.478 8.084 15.464 1.00 0.18 C ATOM 384 CG LEU A 25 55.837 8.335 16.165 1.00 0.12 C ATOM 385 CD1 LEU A 25 56.167 7.174 17.076 1.00 0.14 C ATOM 386 CD2 LEU A 25 56.956 8.482 15.125 1.00 0.12 C ATOM 0 H LEU A 25 54.244 10.423 16.130 1.00 0.18 H new ATOM 0 HA LEU A 25 55.010 9.131 13.681 1.00 0.17 H new ATOM 0 HB2 LEU A 25 53.673 8.071 16.198 1.00 0.18 H new ATOM 0 HB3 LEU A 25 54.481 7.109 14.976 1.00 0.18 H new ATOM 0 HG LEU A 25 55.759 9.254 16.746 1.00 0.12 H new ATOM 0 HD11 LEU A 25 57.123 7.356 17.566 1.00 0.14 H new ATOM 0 HD12 LEU A 25 55.387 7.070 17.830 1.00 0.14 H new ATOM 0 HD13 LEU A 25 56.229 6.257 16.489 1.00 0.14 H new ATOM 0 HD21 LEU A 25 57.904 8.658 15.633 1.00 0.12 H new ATOM 0 HD22 LEU A 25 57.025 7.569 14.533 1.00 0.12 H new ATOM 0 HD23 LEU A 25 56.735 9.324 14.469 1.00 0.12 H new ATOM 398 N ALA A 26 52.838 9.326 12.550 1.00 0.15 N ATOM 399 CA ALA A 26 51.577 9.173 11.827 1.00 0.15 C ATOM 400 C ALA A 26 51.262 7.691 11.590 1.00 0.15 C ATOM 401 O ALA A 26 50.136 7.319 11.324 1.00 0.17 O ATOM 402 CB ALA A 26 51.671 9.868 10.480 1.00 0.16 C ATOM 0 H ALA A 26 53.607 9.719 12.006 1.00 0.15 H new ATOM 0 HA ALA A 26 50.785 9.618 12.429 1.00 0.15 H new ATOM 0 HB1 ALA A 26 50.729 9.752 9.944 1.00 0.16 H new ATOM 0 HB2 ALA A 26 51.874 10.928 10.631 1.00 0.16 H new ATOM 0 HB3 ALA A 26 52.478 9.424 9.897 1.00 0.16 H new ATOM 408 N SER A 27 52.248 6.857 11.649 1.00 0.14 N ATOM 409 CA SER A 27 52.027 5.399 11.389 1.00 0.16 C ATOM 410 C SER A 27 53.329 4.639 11.652 1.00 0.14 C ATOM 411 O SER A 27 54.326 5.224 12.024 1.00 0.14 O ATOM 412 CB SER A 27 51.603 5.198 9.934 1.00 0.19 C ATOM 413 OG SER A 27 50.300 4.630 9.896 1.00 1.17 O ATOM 0 H SER A 27 53.211 7.114 11.867 1.00 0.14 H new ATOM 0 HA SER A 27 51.244 5.024 12.048 1.00 0.16 H new ATOM 0 HB2 SER A 27 51.612 6.152 9.406 1.00 0.19 H new ATOM 0 HB3 SER A 27 52.311 4.545 9.424 1.00 0.19 H new ATOM 0 HG SER A 27 49.664 5.242 10.322 1.00 1.17 H new ATOM 419 N TYR A 28 53.327 3.334 11.506 1.00 0.16 N ATOM 420 CA TYR A 28 54.572 2.568 11.799 1.00 0.17 C ATOM 421 C TYR A 28 54.604 1.277 10.914 1.00 0.20 C ATOM 422 O TYR A 28 53.637 0.545 10.837 1.00 0.30 O ATOM 423 CB TYR A 28 54.570 2.292 13.346 1.00 0.19 C ATOM 424 CG TYR A 28 54.620 0.828 13.732 1.00 0.22 C ATOM 425 CD1 TYR A 28 55.864 0.122 13.701 1.00 0.23 C ATOM 426 CD2 TYR A 28 53.434 0.182 14.211 1.00 0.38 C ATOM 427 CE1 TYR A 28 55.927 -1.236 14.145 1.00 0.24 C ATOM 428 CE2 TYR A 28 53.489 -1.179 14.647 1.00 0.42 C ATOM 429 CZ TYR A 28 54.737 -1.894 14.619 1.00 0.30 C ATOM 430 OH TYR A 28 54.795 -3.204 15.048 1.00 0.35 O ATOM 0 H TYR A 28 52.529 2.777 11.201 1.00 0.16 H new ATOM 0 HA TYR A 28 55.484 3.111 11.550 1.00 0.17 H new ATOM 0 HB2 TYR A 28 55.425 2.800 13.792 1.00 0.19 H new ATOM 0 HB3 TYR A 28 53.674 2.737 13.779 1.00 0.19 H new ATOM 0 HD1 TYR A 28 56.756 0.615 13.342 1.00 0.23 H new ATOM 0 HD2 TYR A 28 52.499 0.722 14.243 1.00 0.38 H new ATOM 0 HE1 TYR A 28 56.867 -1.768 14.125 1.00 0.24 H new ATOM 0 HE2 TYR A 28 52.593 -1.670 14.997 1.00 0.42 H new ATOM 0 HH TYR A 28 54.089 -3.363 15.709 1.00 0.35 H new ATOM 440 N ARG A 29 55.709 1.016 10.245 1.00 0.22 N ATOM 441 CA ARG A 29 55.793 -0.203 9.367 1.00 0.25 C ATOM 442 C ARG A 29 57.022 -1.037 9.750 1.00 0.29 C ATOM 443 O ARG A 29 58.025 -1.002 9.093 1.00 0.65 O ATOM 444 CB ARG A 29 55.915 0.231 7.908 1.00 0.30 C ATOM 445 CG ARG A 29 54.571 0.039 7.203 1.00 0.68 C ATOM 446 CD ARG A 29 54.717 0.393 5.722 1.00 0.83 C ATOM 447 NE ARG A 29 53.767 -0.432 4.916 1.00 1.31 N ATOM 448 CZ ARG A 29 53.897 -0.530 3.605 1.00 1.71 C ATOM 449 NH1 ARG A 29 54.869 0.090 2.969 1.00 2.18 N ATOM 450 NH2 ARG A 29 53.049 -1.256 2.929 1.00 2.22 N ATOM 0 H ARG A 29 56.551 1.591 10.269 1.00 0.22 H new ATOM 0 HA ARG A 29 54.893 -0.803 9.500 1.00 0.25 H new ATOM 0 HB2 ARG A 29 56.220 1.276 7.853 1.00 0.30 H new ATOM 0 HB3 ARG A 29 56.687 -0.353 7.407 1.00 0.30 H new ATOM 0 HG2 ARG A 29 54.236 -0.993 7.310 1.00 0.68 H new ATOM 0 HG3 ARG A 29 53.812 0.670 7.666 1.00 0.68 H new ATOM 0 HD2 ARG A 29 54.515 1.453 5.569 1.00 0.83 H new ATOM 0 HD3 ARG A 29 55.741 0.213 5.393 1.00 0.83 H new ATOM 0 HE ARG A 29 53.008 -0.926 5.384 1.00 1.31 H new ATOM 0 HH11 ARG A 29 55.538 0.658 3.489 1.00 2.18 H new ATOM 0 HH12 ARG A 29 54.953 0.002 1.956 1.00 2.18 H new ATOM 0 HH21 ARG A 29 52.294 -1.742 3.413 1.00 2.22 H new ATOM 0 HH22 ARG A 29 53.141 -1.338 1.916 1.00 2.22 H new ATOM 464 N ARG A 30 56.938 -1.765 10.825 1.00 0.27 N ATOM 465 CA ARG A 30 58.108 -2.586 11.312 1.00 0.25 C ATOM 466 C ARG A 30 58.865 -3.292 10.164 1.00 0.25 C ATOM 467 O ARG A 30 58.426 -4.301 9.648 1.00 0.34 O ATOM 468 CB ARG A 30 57.595 -3.645 12.289 1.00 0.28 C ATOM 469 CG ARG A 30 58.727 -4.061 13.231 1.00 0.43 C ATOM 470 CD ARG A 30 58.135 -4.632 14.521 1.00 0.54 C ATOM 471 NE ARG A 30 59.035 -5.700 15.052 1.00 1.10 N ATOM 472 CZ ARG A 30 58.616 -6.540 15.983 1.00 1.31 C ATOM 473 NH1 ARG A 30 57.394 -6.465 16.467 1.00 1.62 N ATOM 474 NH2 ARG A 30 59.427 -7.461 16.428 1.00 1.77 N ATOM 0 H ARG A 30 56.101 -1.835 11.404 1.00 0.27 H new ATOM 0 HA ARG A 30 58.808 -1.903 11.793 1.00 0.25 H new ATOM 0 HB2 ARG A 30 56.757 -3.250 12.863 1.00 0.28 H new ATOM 0 HB3 ARG A 30 57.226 -4.512 11.741 1.00 0.28 H new ATOM 0 HG2 ARG A 30 59.360 -4.805 12.749 1.00 0.43 H new ATOM 0 HG3 ARG A 30 59.360 -3.203 13.458 1.00 0.43 H new ATOM 0 HD2 ARG A 30 58.016 -3.840 15.261 1.00 0.54 H new ATOM 0 HD3 ARG A 30 57.143 -5.040 14.329 1.00 0.54 H new ATOM 0 HE ARG A 30 59.986 -5.782 14.691 1.00 1.10 H new ATOM 0 HH11 ARG A 30 56.753 -5.750 16.124 1.00 1.62 H new ATOM 0 HH12 ARG A 30 57.089 -7.122 17.185 1.00 1.62 H new ATOM 0 HH21 ARG A 30 60.375 -7.528 16.058 1.00 1.77 H new ATOM 0 HH22 ARG A 30 59.113 -8.114 17.146 1.00 1.77 H new ATOM 488 N ILE A 31 60.054 -2.812 9.832 1.00 0.24 N ATOM 489 CA ILE A 31 60.890 -3.510 8.802 1.00 0.26 C ATOM 490 C ILE A 31 61.387 -4.835 9.422 1.00 0.29 C ATOM 491 O ILE A 31 61.465 -4.972 10.622 1.00 0.52 O ATOM 492 CB ILE A 31 62.113 -2.585 8.385 1.00 0.27 C ATOM 493 CG1 ILE A 31 61.691 -1.699 7.194 1.00 0.36 C ATOM 494 CG2 ILE A 31 63.366 -3.422 7.962 1.00 0.26 C ATOM 495 CD1 ILE A 31 62.888 -0.849 6.716 1.00 0.30 C ATOM 0 H ILE A 31 60.473 -1.972 10.231 1.00 0.24 H new ATOM 0 HA ILE A 31 60.309 -3.717 7.903 1.00 0.26 H new ATOM 0 HB ILE A 31 62.383 -1.982 9.252 1.00 0.27 H new ATOM 0 HG12 ILE A 31 61.328 -2.323 6.377 1.00 0.36 H new ATOM 0 HG13 ILE A 31 60.867 -1.049 7.488 1.00 0.36 H new ATOM 0 HG21 ILE A 31 64.177 -2.748 7.685 1.00 0.26 H new ATOM 0 HG22 ILE A 31 63.683 -4.049 8.795 1.00 0.26 H new ATOM 0 HG23 ILE A 31 63.112 -4.053 7.110 1.00 0.26 H new ATOM 0 HD11 ILE A 31 62.580 -0.227 5.875 1.00 0.30 H new ATOM 0 HD12 ILE A 31 63.231 -0.212 7.532 1.00 0.30 H new ATOM 0 HD13 ILE A 31 63.699 -1.506 6.403 1.00 0.30 H new ATOM 507 N THR A 32 61.771 -5.772 8.595 1.00 0.25 N ATOM 508 CA THR A 32 62.317 -7.067 9.105 1.00 0.30 C ATOM 509 C THR A 32 62.523 -8.027 7.936 1.00 0.38 C ATOM 510 O THR A 32 62.285 -9.214 8.045 1.00 0.65 O ATOM 511 CB THR A 32 61.358 -7.690 10.114 1.00 0.30 C ATOM 512 OG1 THR A 32 60.063 -7.130 9.954 1.00 0.56 O ATOM 513 CG2 THR A 32 61.871 -7.434 11.529 1.00 0.41 C ATOM 0 H THR A 32 61.730 -5.696 7.579 1.00 0.25 H new ATOM 0 HA THR A 32 63.270 -6.877 9.599 1.00 0.30 H new ATOM 0 HB THR A 32 61.299 -8.765 9.945 1.00 0.30 H new ATOM 0 HG1 THR A 32 59.450 -7.534 10.603 1.00 0.56 H new ATOM 0 HG21 THR A 32 61.186 -7.879 12.250 1.00 0.41 H new ATOM 0 HG22 THR A 32 62.859 -7.880 11.644 1.00 0.41 H new ATOM 0 HG23 THR A 32 61.935 -6.360 11.704 1.00 0.41 H new ATOM 521 N SER A 33 62.979 -7.529 6.822 1.00 0.39 N ATOM 522 CA SER A 33 63.216 -8.418 5.657 1.00 0.48 C ATOM 523 C SER A 33 64.377 -9.362 5.981 1.00 0.60 C ATOM 524 O SER A 33 65.268 -9.025 6.734 1.00 1.24 O ATOM 525 CB SER A 33 63.562 -7.570 4.429 1.00 0.42 C ATOM 526 OG SER A 33 64.168 -8.393 3.442 1.00 0.54 O ATOM 0 H SER A 33 63.197 -6.544 6.670 1.00 0.39 H new ATOM 0 HA SER A 33 62.319 -9.001 5.445 1.00 0.48 H new ATOM 0 HB2 SER A 33 62.661 -7.106 4.028 1.00 0.42 H new ATOM 0 HB3 SER A 33 64.238 -6.762 4.710 1.00 0.42 H new ATOM 0 HG SER A 33 63.835 -8.140 2.556 1.00 0.54 H new ATOM 532 N SER A 34 64.369 -10.545 5.434 1.00 0.59 N ATOM 533 CA SER A 34 65.471 -11.509 5.725 1.00 0.59 C ATOM 534 C SER A 34 66.805 -10.975 5.170 1.00 0.41 C ATOM 535 O SER A 34 67.861 -11.488 5.481 1.00 0.57 O ATOM 536 CB SER A 34 65.153 -12.854 5.073 1.00 0.85 C ATOM 537 OG SER A 34 65.189 -13.877 6.060 1.00 1.54 O ATOM 0 H SER A 34 63.649 -10.888 4.798 1.00 0.59 H new ATOM 0 HA SER A 34 65.559 -11.632 6.804 1.00 0.59 H new ATOM 0 HB2 SER A 34 64.170 -12.820 4.604 1.00 0.85 H new ATOM 0 HB3 SER A 34 65.875 -13.068 4.285 1.00 0.85 H new ATOM 0 HG SER A 34 64.984 -14.740 5.644 1.00 1.54 H new ATOM 543 N LYS A 35 66.766 -9.960 4.344 1.00 0.34 N ATOM 544 CA LYS A 35 68.029 -9.417 3.770 1.00 0.42 C ATOM 545 C LYS A 35 68.477 -8.156 4.542 1.00 0.33 C ATOM 546 O LYS A 35 69.590 -7.694 4.389 1.00 0.38 O ATOM 547 CB LYS A 35 67.803 -9.081 2.280 1.00 0.74 C ATOM 548 CG LYS A 35 68.779 -9.882 1.385 1.00 0.39 C ATOM 549 CD LYS A 35 70.222 -9.731 1.896 1.00 1.48 C ATOM 550 CE LYS A 35 71.196 -9.858 0.722 1.00 1.69 C ATOM 551 NZ LYS A 35 71.731 -11.248 0.671 1.00 2.14 N ATOM 0 H LYS A 35 65.914 -9.486 4.044 1.00 0.34 H new ATOM 0 HA LYS A 35 68.816 -10.165 3.859 1.00 0.42 H new ATOM 0 HB2 LYS A 35 66.774 -9.311 2.002 1.00 0.74 H new ATOM 0 HB3 LYS A 35 67.946 -8.013 2.117 1.00 0.74 H new ATOM 0 HG2 LYS A 35 68.497 -10.935 1.380 1.00 0.39 H new ATOM 0 HG3 LYS A 35 68.712 -9.529 0.356 1.00 0.39 H new ATOM 0 HD2 LYS A 35 70.347 -8.764 2.383 1.00 1.48 H new ATOM 0 HD3 LYS A 35 70.436 -10.495 2.644 1.00 1.48 H new ATOM 0 HE2 LYS A 35 70.690 -9.617 -0.213 1.00 1.69 H new ATOM 0 HE3 LYS A 35 72.013 -9.146 0.835 1.00 1.69 H new ATOM 0 HZ1 LYS A 35 72.393 -11.336 -0.126 1.00 2.14 H new ATOM 0 HZ2 LYS A 35 72.228 -11.461 1.559 1.00 2.14 H new ATOM 0 HZ3 LYS A 35 70.946 -11.918 0.544 1.00 2.14 H new ATOM 565 N CYS A 36 67.630 -7.601 5.378 1.00 0.26 N ATOM 566 CA CYS A 36 68.036 -6.373 6.144 1.00 0.20 C ATOM 567 C CYS A 36 68.974 -6.749 7.309 1.00 0.24 C ATOM 568 O CYS A 36 68.617 -7.562 8.138 1.00 0.32 O ATOM 569 CB CYS A 36 66.791 -5.664 6.706 1.00 0.18 C ATOM 570 SG CYS A 36 65.872 -4.852 5.361 1.00 0.19 S ATOM 0 H CYS A 36 66.686 -7.939 5.563 1.00 0.26 H new ATOM 0 HA CYS A 36 68.561 -5.704 5.463 1.00 0.20 H new ATOM 0 HB2 CYS A 36 66.149 -6.386 7.211 1.00 0.18 H new ATOM 0 HB3 CYS A 36 67.089 -4.926 7.451 1.00 0.18 H new ATOM 575 N PRO A 37 70.163 -6.115 7.360 1.00 0.24 N ATOM 576 CA PRO A 37 71.109 -6.367 8.428 1.00 0.33 C ATOM 577 C PRO A 37 70.480 -6.135 9.794 1.00 0.32 C ATOM 578 O PRO A 37 70.999 -6.569 10.807 1.00 0.36 O ATOM 579 CB PRO A 37 72.230 -5.341 8.206 1.00 0.38 C ATOM 580 CG PRO A 37 71.953 -4.603 6.877 1.00 0.32 C ATOM 581 CD PRO A 37 70.630 -5.126 6.352 1.00 0.23 C ATOM 0 HA PRO A 37 71.458 -7.399 8.411 1.00 0.33 H new ATOM 0 HB2 PRO A 37 72.266 -4.633 9.034 1.00 0.38 H new ATOM 0 HB3 PRO A 37 73.199 -5.839 8.170 1.00 0.38 H new ATOM 0 HG2 PRO A 37 71.907 -3.526 7.036 1.00 0.32 H new ATOM 0 HG3 PRO A 37 72.753 -4.786 6.159 1.00 0.32 H new ATOM 0 HD2 PRO A 37 69.909 -4.318 6.232 1.00 0.23 H new ATOM 0 HD3 PRO A 37 70.753 -5.591 5.374 1.00 0.23 H new ATOM 589 N LYS A 38 69.417 -5.406 9.840 1.00 0.28 N ATOM 590 CA LYS A 38 68.808 -5.084 11.127 1.00 0.28 C ATOM 591 C LYS A 38 67.295 -4.888 11.003 1.00 0.25 C ATOM 592 O LYS A 38 66.802 -4.341 10.037 1.00 0.29 O ATOM 593 CB LYS A 38 69.434 -3.792 11.652 1.00 0.28 C ATOM 594 CG LYS A 38 70.683 -4.118 12.471 1.00 0.37 C ATOM 595 CD LYS A 38 70.669 -3.310 13.769 1.00 0.87 C ATOM 596 CE LYS A 38 71.961 -3.568 14.545 1.00 1.25 C ATOM 597 NZ LYS A 38 72.967 -2.526 14.195 1.00 1.62 N ATOM 0 H LYS A 38 68.942 -5.017 9.025 1.00 0.28 H new ATOM 0 HA LYS A 38 68.986 -5.914 11.810 1.00 0.28 H new ATOM 0 HB2 LYS A 38 69.694 -3.139 10.819 1.00 0.28 H new ATOM 0 HB3 LYS A 38 68.715 -3.252 12.268 1.00 0.28 H new ATOM 0 HG2 LYS A 38 70.716 -5.184 12.695 1.00 0.37 H new ATOM 0 HG3 LYS A 38 71.579 -3.885 11.895 1.00 0.37 H new ATOM 0 HD2 LYS A 38 70.572 -2.247 13.547 1.00 0.87 H new ATOM 0 HD3 LYS A 38 69.807 -3.589 14.374 1.00 0.87 H new ATOM 0 HE2 LYS A 38 71.763 -3.552 15.617 1.00 1.25 H new ATOM 0 HE3 LYS A 38 72.349 -4.558 14.307 1.00 1.25 H new ATOM 0 HZ1 LYS A 38 73.846 -2.701 14.723 1.00 1.62 H new ATOM 0 HZ2 LYS A 38 73.163 -2.562 13.174 1.00 1.62 H new ATOM 0 HZ3 LYS A 38 72.595 -1.587 14.444 1.00 1.62 H new ATOM 611 N GLU A 39 66.568 -5.259 12.026 1.00 0.22 N ATOM 612 CA GLU A 39 65.099 -5.019 12.035 1.00 0.21 C ATOM 613 C GLU A 39 64.876 -3.565 12.462 1.00 0.19 C ATOM 614 O GLU A 39 65.810 -2.888 12.851 1.00 0.24 O ATOM 615 CB GLU A 39 64.435 -5.957 13.046 1.00 0.26 C ATOM 616 CG GLU A 39 64.702 -7.410 12.646 1.00 1.09 C ATOM 617 CD GLU A 39 64.033 -8.348 13.652 1.00 1.44 C ATOM 618 OE1 GLU A 39 63.837 -7.931 14.781 1.00 1.59 O ATOM 619 OE2 GLU A 39 63.728 -9.468 13.276 1.00 2.07 O ATOM 0 H GLU A 39 66.934 -5.720 12.859 1.00 0.22 H new ATOM 0 HA GLU A 39 64.669 -5.204 11.051 1.00 0.21 H new ATOM 0 HB2 GLU A 39 64.825 -5.766 14.046 1.00 0.26 H new ATOM 0 HB3 GLU A 39 63.362 -5.770 13.082 1.00 0.26 H new ATOM 0 HG2 GLU A 39 64.316 -7.599 11.644 1.00 1.09 H new ATOM 0 HG3 GLU A 39 65.775 -7.598 12.615 1.00 1.09 H new ATOM 626 N ALA A 40 63.671 -3.062 12.386 1.00 0.16 N ATOM 627 CA ALA A 40 63.455 -1.638 12.785 1.00 0.16 C ATOM 628 C ALA A 40 61.973 -1.286 12.736 1.00 0.14 C ATOM 629 O ALA A 40 61.148 -2.076 12.338 1.00 0.19 O ATOM 630 CB ALA A 40 64.201 -0.738 11.802 1.00 0.18 C ATOM 0 H ALA A 40 62.841 -3.564 12.071 1.00 0.16 H new ATOM 0 HA ALA A 40 63.821 -1.495 13.802 1.00 0.16 H new ATOM 0 HB1 ALA A 40 64.053 0.306 12.080 1.00 0.18 H new ATOM 0 HB2 ALA A 40 65.265 -0.973 11.829 1.00 0.18 H new ATOM 0 HB3 ALA A 40 63.818 -0.903 10.795 1.00 0.18 H new ATOM 636 N VAL A 41 61.648 -0.071 13.079 1.00 0.16 N ATOM 637 CA VAL A 41 60.240 0.389 12.972 1.00 0.15 C ATOM 638 C VAL A 41 60.216 1.522 11.993 1.00 0.14 C ATOM 639 O VAL A 41 60.908 2.503 12.171 1.00 0.15 O ATOM 640 CB VAL A 41 59.690 0.868 14.362 1.00 0.14 C ATOM 641 CG1 VAL A 41 58.619 2.009 14.214 1.00 0.14 C ATOM 642 CG2 VAL A 41 59.030 -0.302 15.026 1.00 0.17 C ATOM 0 H VAL A 41 62.304 0.626 13.431 1.00 0.16 H new ATOM 0 HA VAL A 41 59.605 -0.432 12.640 1.00 0.15 H new ATOM 0 HB VAL A 41 60.526 1.258 14.943 1.00 0.14 H new ATOM 0 HG11 VAL A 41 58.267 2.308 15.201 1.00 0.14 H new ATOM 0 HG12 VAL A 41 59.068 2.867 13.713 1.00 0.14 H new ATOM 0 HG13 VAL A 41 57.778 1.644 13.624 1.00 0.14 H new ATOM 0 HG21 VAL A 41 58.638 0.004 15.996 1.00 0.17 H new ATOM 0 HG22 VAL A 41 58.212 -0.661 14.401 1.00 0.17 H new ATOM 0 HG23 VAL A 41 59.759 -1.101 15.164 1.00 0.17 H new ATOM 652 N ILE A 42 59.366 1.457 11.034 1.00 0.18 N ATOM 653 CA ILE A 42 59.265 2.578 10.123 1.00 0.17 C ATOM 654 C ILE A 42 58.247 3.566 10.644 1.00 0.13 C ATOM 655 O ILE A 42 57.164 3.686 10.123 1.00 0.13 O ATOM 656 CB ILE A 42 58.870 2.117 8.764 1.00 0.22 C ATOM 657 CG1 ILE A 42 59.759 0.920 8.357 1.00 0.39 C ATOM 658 CG2 ILE A 42 59.051 3.292 7.816 1.00 0.17 C ATOM 659 CD1 ILE A 42 61.180 1.378 8.093 1.00 0.66 C ATOM 0 H ILE A 42 58.740 0.673 10.848 1.00 0.18 H new ATOM 0 HA ILE A 42 60.240 3.060 10.055 1.00 0.17 H new ATOM 0 HB ILE A 42 57.832 1.784 8.736 1.00 0.22 H new ATOM 0 HG12 ILE A 42 59.754 0.170 9.148 1.00 0.39 H new ATOM 0 HG13 ILE A 42 59.352 0.445 7.464 1.00 0.39 H new ATOM 0 HG21 ILE A 42 58.770 2.992 6.806 1.00 0.17 H new ATOM 0 HG22 ILE A 42 58.419 4.120 8.137 1.00 0.17 H new ATOM 0 HG23 ILE A 42 60.094 3.608 7.824 1.00 0.17 H new ATOM 0 HD11 ILE A 42 61.791 0.522 7.808 1.00 0.66 H new ATOM 0 HD12 ILE A 42 61.182 2.110 7.286 1.00 0.66 H new ATOM 0 HD13 ILE A 42 61.590 1.832 8.995 1.00 0.66 H new ATOM 671 N PHE A 43 58.598 4.281 11.669 1.00 0.15 N ATOM 672 CA PHE A 43 57.672 5.285 12.245 1.00 0.13 C ATOM 673 C PHE A 43 57.348 6.353 11.190 1.00 0.13 C ATOM 674 O PHE A 43 57.991 7.379 11.139 1.00 0.14 O ATOM 675 CB PHE A 43 58.362 5.967 13.423 1.00 0.13 C ATOM 676 CG PHE A 43 58.142 5.188 14.702 1.00 0.13 C ATOM 677 CD1 PHE A 43 56.850 4.629 15.020 1.00 0.22 C ATOM 678 CD2 PHE A 43 59.236 5.009 15.607 1.00 0.14 C ATOM 679 CE1 PHE A 43 56.673 3.895 16.248 1.00 0.25 C ATOM 680 CE2 PHE A 43 59.048 4.279 16.824 1.00 0.15 C ATOM 681 CZ PHE A 43 57.769 3.723 17.141 1.00 0.18 C ATOM 0 H PHE A 43 59.501 4.211 12.139 1.00 0.15 H new ATOM 0 HA PHE A 43 56.754 4.792 12.567 1.00 0.13 H new ATOM 0 HB2 PHE A 43 59.430 6.053 13.224 1.00 0.13 H new ATOM 0 HB3 PHE A 43 57.977 6.980 13.539 1.00 0.13 H new ATOM 0 HD1 PHE A 43 56.020 4.760 14.341 1.00 0.22 H new ATOM 0 HD2 PHE A 43 60.204 5.425 15.372 1.00 0.14 H new ATOM 0 HE1 PHE A 43 55.708 3.475 16.491 1.00 0.25 H new ATOM 0 HE2 PHE A 43 59.875 4.148 17.506 1.00 0.15 H new ATOM 0 HZ PHE A 43 57.634 3.171 18.060 1.00 0.18 H new ATOM 691 N LYS A 44 56.348 6.148 10.366 1.00 0.15 N ATOM 692 CA LYS A 44 56.018 7.193 9.355 1.00 0.15 C ATOM 693 C LYS A 44 55.558 8.420 10.097 1.00 0.14 C ATOM 694 O LYS A 44 54.453 8.468 10.576 1.00 0.15 O ATOM 695 CB LYS A 44 54.886 6.708 8.436 1.00 0.17 C ATOM 696 CG LYS A 44 55.384 6.662 6.990 1.00 0.25 C ATOM 697 CD LYS A 44 54.304 7.217 6.060 1.00 0.36 C ATOM 698 CE LYS A 44 54.531 6.688 4.642 1.00 1.30 C ATOM 699 NZ LYS A 44 53.217 6.381 4.010 1.00 1.74 N ATOM 0 H LYS A 44 55.757 5.317 10.351 1.00 0.15 H new ATOM 0 HA LYS A 44 56.894 7.408 8.744 1.00 0.15 H new ATOM 0 HB2 LYS A 44 54.550 5.719 8.747 1.00 0.17 H new ATOM 0 HB3 LYS A 44 54.028 7.376 8.515 1.00 0.17 H new ATOM 0 HG2 LYS A 44 56.299 7.246 6.891 1.00 0.25 H new ATOM 0 HG3 LYS A 44 55.628 5.637 6.711 1.00 0.25 H new ATOM 0 HD2 LYS A 44 53.317 6.923 6.416 1.00 0.36 H new ATOM 0 HD3 LYS A 44 54.332 8.307 6.062 1.00 0.36 H new ATOM 0 HE2 LYS A 44 55.068 7.427 4.048 1.00 1.30 H new ATOM 0 HE3 LYS A 44 55.151 5.792 4.672 1.00 1.30 H new ATOM 0 HZ1 LYS A 44 53.371 6.021 3.046 1.00 1.74 H new ATOM 0 HZ2 LYS A 44 52.721 5.661 4.573 1.00 1.74 H new ATOM 0 HZ3 LYS A 44 52.641 7.246 3.969 1.00 1.74 H new ATOM 713 N THR A 45 56.403 9.394 10.235 1.00 0.14 N ATOM 714 CA THR A 45 56.013 10.601 10.997 1.00 0.15 C ATOM 715 C THR A 45 54.778 11.273 10.323 1.00 0.16 C ATOM 716 O THR A 45 54.056 10.640 9.587 1.00 0.16 O ATOM 717 CB THR A 45 57.212 11.544 11.072 1.00 0.17 C ATOM 718 OG1 THR A 45 57.913 11.529 9.852 1.00 0.22 O ATOM 719 CG2 THR A 45 58.117 11.059 12.184 1.00 0.16 C ATOM 0 H THR A 45 57.348 9.406 9.852 1.00 0.14 H new ATOM 0 HA THR A 45 55.722 10.337 12.014 1.00 0.15 H new ATOM 0 HB THR A 45 56.878 12.563 11.267 1.00 0.17 H new ATOM 0 HG1 THR A 45 58.578 10.809 9.866 1.00 0.22 H new ATOM 0 HG21 THR A 45 58.984 11.716 12.260 1.00 0.16 H new ATOM 0 HG22 THR A 45 57.571 11.068 13.127 1.00 0.16 H new ATOM 0 HG23 THR A 45 58.449 10.044 11.966 1.00 0.16 H new ATOM 727 N ILE A 46 54.547 12.544 10.553 1.00 0.19 N ATOM 728 CA ILE A 46 53.371 13.227 9.929 1.00 0.21 C ATOM 729 C ILE A 46 53.772 13.801 8.630 1.00 0.21 C ATOM 730 O ILE A 46 52.971 13.926 7.717 1.00 0.21 O ATOM 731 CB ILE A 46 52.872 14.379 10.812 1.00 0.24 C ATOM 732 CG1 ILE A 46 54.087 15.256 11.298 1.00 0.25 C ATOM 733 CG2 ILE A 46 52.055 13.819 12.015 1.00 0.26 C ATOM 734 CD1 ILE A 46 54.655 14.760 12.640 1.00 0.27 C ATOM 0 H ILE A 46 55.124 13.138 11.148 1.00 0.19 H new ATOM 0 HA ILE A 46 52.579 12.488 9.808 1.00 0.21 H new ATOM 0 HB ILE A 46 52.210 15.019 10.228 1.00 0.24 H new ATOM 0 HG12 ILE A 46 54.873 15.238 10.543 1.00 0.25 H new ATOM 0 HG13 ILE A 46 53.768 16.293 11.400 1.00 0.25 H new ATOM 0 HG21 ILE A 46 51.706 14.645 12.634 1.00 0.26 H new ATOM 0 HG22 ILE A 46 51.198 13.258 11.643 1.00 0.26 H new ATOM 0 HG23 ILE A 46 52.688 13.162 12.611 1.00 0.26 H new ATOM 0 HD11 ILE A 46 55.491 15.393 12.938 1.00 0.27 H new ATOM 0 HD12 ILE A 46 53.877 14.803 13.403 1.00 0.27 H new ATOM 0 HD13 ILE A 46 55.000 13.732 12.531 1.00 0.27 H new ATOM 746 N VAL A 47 55.006 14.131 8.507 1.00 0.21 N ATOM 747 CA VAL A 47 55.480 14.663 7.272 1.00 0.23 C ATOM 748 C VAL A 47 55.943 13.509 6.380 1.00 0.22 C ATOM 749 O VAL A 47 56.572 13.714 5.361 1.00 0.24 O ATOM 750 CB VAL A 47 56.593 15.630 7.590 1.00 0.25 C ATOM 751 CG1 VAL A 47 57.893 14.901 7.968 1.00 0.26 C ATOM 752 CG2 VAL A 47 56.810 16.511 6.410 1.00 0.28 C ATOM 0 H VAL A 47 55.708 14.044 9.241 1.00 0.21 H new ATOM 0 HA VAL A 47 54.701 15.198 6.728 1.00 0.23 H new ATOM 0 HB VAL A 47 56.304 16.227 8.455 1.00 0.25 H new ATOM 0 HG11 VAL A 47 58.669 15.633 8.190 1.00 0.26 H new ATOM 0 HG12 VAL A 47 57.719 14.279 8.846 1.00 0.26 H new ATOM 0 HG13 VAL A 47 58.213 14.273 7.136 1.00 0.26 H new ATOM 0 HG21 VAL A 47 57.613 17.216 6.625 1.00 0.28 H new ATOM 0 HG22 VAL A 47 57.083 15.903 5.547 1.00 0.28 H new ATOM 0 HG23 VAL A 47 55.894 17.060 6.192 1.00 0.28 H new ATOM 762 N ALA A 48 55.583 12.270 6.737 1.00 0.21 N ATOM 763 CA ALA A 48 55.938 11.113 5.907 1.00 0.21 C ATOM 764 C ALA A 48 57.433 10.822 6.015 1.00 0.21 C ATOM 765 O ALA A 48 57.992 10.107 5.207 1.00 0.23 O ATOM 766 CB ALA A 48 55.552 11.405 4.473 1.00 0.24 C ATOM 0 H ALA A 48 55.055 12.045 7.580 1.00 0.21 H new ATOM 0 HA ALA A 48 55.400 10.231 6.254 1.00 0.21 H new ATOM 0 HB1 ALA A 48 55.811 10.552 3.846 1.00 0.24 H new ATOM 0 HB2 ALA A 48 54.479 11.586 4.415 1.00 0.24 H new ATOM 0 HB3 ALA A 48 56.088 12.288 4.124 1.00 0.24 H new ATOM 772 N LYS A 49 58.079 11.322 7.037 1.00 0.20 N ATOM 773 CA LYS A 49 59.516 11.011 7.213 1.00 0.20 C ATOM 774 C LYS A 49 59.637 9.644 7.862 1.00 0.19 C ATOM 775 O LYS A 49 59.696 9.517 9.069 1.00 0.19 O ATOM 776 CB LYS A 49 60.184 12.070 8.072 1.00 0.22 C ATOM 777 CG LYS A 49 61.320 12.738 7.288 1.00 0.27 C ATOM 778 CD LYS A 49 61.501 14.176 7.776 1.00 0.33 C ATOM 779 CE LYS A 49 61.866 14.170 9.261 1.00 0.55 C ATOM 780 NZ LYS A 49 61.741 15.550 9.809 1.00 1.05 N ATOM 0 H LYS A 49 57.671 11.928 7.749 1.00 0.20 H new ATOM 0 HA LYS A 49 60.015 11.003 6.244 1.00 0.20 H new ATOM 0 HB2 LYS A 49 59.452 12.818 8.377 1.00 0.22 H new ATOM 0 HB3 LYS A 49 60.576 11.618 8.983 1.00 0.22 H new ATOM 0 HG2 LYS A 49 62.246 12.178 7.421 1.00 0.27 H new ATOM 0 HG3 LYS A 49 61.094 12.730 6.222 1.00 0.27 H new ATOM 0 HD2 LYS A 49 62.284 14.671 7.201 1.00 0.33 H new ATOM 0 HD3 LYS A 49 60.583 14.743 7.619 1.00 0.33 H new ATOM 0 HE2 LYS A 49 61.210 13.490 9.805 1.00 0.55 H new ATOM 0 HE3 LYS A 49 62.884 13.805 9.395 1.00 0.55 H new ATOM 0 HZ1 LYS A 49 61.989 15.546 10.819 1.00 1.05 H new ATOM 0 HZ2 LYS A 49 62.384 16.187 9.297 1.00 1.05 H new ATOM 0 HZ3 LYS A 49 60.762 15.882 9.694 1.00 1.05 H new ATOM 794 N GLU A 50 59.658 8.605 7.063 1.00 0.19 N ATOM 795 CA GLU A 50 59.756 7.229 7.622 1.00 0.19 C ATOM 796 C GLU A 50 60.981 7.146 8.517 1.00 0.17 C ATOM 797 O GLU A 50 62.100 7.276 8.060 1.00 0.20 O ATOM 798 CB GLU A 50 59.886 6.226 6.476 1.00 0.21 C ATOM 799 CG GLU A 50 58.520 6.022 5.818 1.00 0.43 C ATOM 800 CD GLU A 50 58.713 5.614 4.356 1.00 0.79 C ATOM 801 OE1 GLU A 50 59.174 4.508 4.127 1.00 1.12 O ATOM 802 OE2 GLU A 50 58.397 6.414 3.491 1.00 1.39 O ATOM 0 H GLU A 50 59.611 8.655 6.045 1.00 0.19 H new ATOM 0 HA GLU A 50 58.863 6.998 8.202 1.00 0.19 H new ATOM 0 HB2 GLU A 50 60.605 6.589 5.741 1.00 0.21 H new ATOM 0 HB3 GLU A 50 60.266 5.276 6.852 1.00 0.21 H new ATOM 0 HG2 GLU A 50 57.959 5.253 6.350 1.00 0.43 H new ATOM 0 HG3 GLU A 50 57.936 6.940 5.876 1.00 0.43 H new ATOM 809 N ILE A 51 60.788 6.974 9.795 1.00 0.14 N ATOM 810 CA ILE A 51 61.970 6.932 10.704 1.00 0.13 C ATOM 811 C ILE A 51 62.189 5.539 11.239 1.00 0.13 C ATOM 812 O ILE A 51 61.464 5.067 12.091 1.00 0.15 O ATOM 813 CB ILE A 51 61.825 7.866 11.911 1.00 0.14 C ATOM 814 CG1 ILE A 51 60.775 8.942 11.690 1.00 0.14 C ATOM 815 CG2 ILE A 51 63.159 8.548 12.154 1.00 0.15 C ATOM 816 CD1 ILE A 51 60.628 9.717 12.983 1.00 0.13 C ATOM 0 H ILE A 51 59.879 6.862 10.245 1.00 0.14 H new ATOM 0 HA ILE A 51 62.815 7.258 10.097 1.00 0.13 H new ATOM 0 HB ILE A 51 61.514 7.262 12.763 1.00 0.14 H new ATOM 0 HG12 ILE A 51 61.073 9.606 10.878 1.00 0.14 H new ATOM 0 HG13 ILE A 51 59.824 8.494 11.403 1.00 0.14 H new ATOM 0 HG21 ILE A 51 63.075 9.217 13.010 1.00 0.15 H new ATOM 0 HG22 ILE A 51 63.921 7.795 12.355 1.00 0.15 H new ATOM 0 HG23 ILE A 51 63.440 9.122 11.271 1.00 0.15 H new ATOM 0 HD11 ILE A 51 59.879 10.499 12.856 1.00 0.13 H new ATOM 0 HD12 ILE A 51 60.315 9.041 13.779 1.00 0.13 H new ATOM 0 HD13 ILE A 51 61.584 10.170 13.246 1.00 0.13 H new ATOM 828 N CYS A 52 63.247 4.934 10.843 1.00 0.12 N ATOM 829 CA CYS A 52 63.611 3.636 11.409 1.00 0.13 C ATOM 830 C CYS A 52 63.916 3.855 12.875 1.00 0.15 C ATOM 831 O CYS A 52 64.680 4.707 13.215 1.00 0.33 O ATOM 832 CB CYS A 52 64.835 3.136 10.699 1.00 0.13 C ATOM 833 SG CYS A 52 64.352 2.612 9.040 1.00 0.22 S ATOM 0 H CYS A 52 63.889 5.292 10.136 1.00 0.12 H new ATOM 0 HA CYS A 52 62.809 2.906 11.296 1.00 0.13 H new ATOM 0 HB2 CYS A 52 65.590 3.920 10.645 1.00 0.13 H new ATOM 0 HB3 CYS A 52 65.278 2.304 11.246 1.00 0.13 H new ATOM 838 N ALA A 53 63.300 3.128 13.737 1.00 0.12 N ATOM 839 CA ALA A 53 63.548 3.334 15.195 1.00 0.12 C ATOM 840 C ALA A 53 63.831 1.985 15.850 1.00 0.12 C ATOM 841 O ALA A 53 63.225 0.988 15.520 1.00 0.15 O ATOM 842 CB ALA A 53 62.324 3.993 15.847 1.00 0.13 C ATOM 0 H ALA A 53 62.630 2.393 13.509 1.00 0.12 H new ATOM 0 HA ALA A 53 64.408 3.990 15.331 1.00 0.12 H new ATOM 0 HB1 ALA A 53 62.513 4.140 16.910 1.00 0.13 H new ATOM 0 HB2 ALA A 53 62.136 4.957 15.375 1.00 0.13 H new ATOM 0 HB3 ALA A 53 61.453 3.350 15.719 1.00 0.13 H new ATOM 848 N ASP A 54 64.762 1.944 16.759 1.00 0.13 N ATOM 849 CA ASP A 54 65.107 0.654 17.418 1.00 0.16 C ATOM 850 C ASP A 54 63.871 0.116 18.197 1.00 0.13 C ATOM 851 O ASP A 54 63.472 0.717 19.172 1.00 0.12 O ATOM 852 CB ASP A 54 66.264 0.889 18.396 1.00 0.20 C ATOM 853 CG ASP A 54 66.588 -0.414 19.132 1.00 0.26 C ATOM 854 OD1 ASP A 54 66.594 -1.450 18.488 1.00 0.36 O ATOM 855 OD2 ASP A 54 66.825 -0.352 20.327 1.00 0.44 O ATOM 0 H ASP A 54 65.301 2.750 17.076 1.00 0.13 H new ATOM 0 HA ASP A 54 65.401 -0.076 16.664 1.00 0.16 H new ATOM 0 HB2 ASP A 54 67.143 1.242 17.857 1.00 0.20 H new ATOM 0 HB3 ASP A 54 65.996 1.666 19.112 1.00 0.20 H new ATOM 860 N PRO A 55 63.294 -1.014 17.749 1.00 0.14 N ATOM 861 CA PRO A 55 62.131 -1.593 18.431 1.00 0.14 C ATOM 862 C PRO A 55 62.520 -2.054 19.842 1.00 0.14 C ATOM 863 O PRO A 55 61.676 -2.276 20.687 1.00 0.15 O ATOM 864 CB PRO A 55 61.716 -2.799 17.571 1.00 0.17 C ATOM 865 CG PRO A 55 62.731 -2.902 16.391 1.00 0.19 C ATOM 866 CD PRO A 55 63.748 -1.761 16.560 1.00 0.17 C ATOM 0 HA PRO A 55 61.320 -0.873 18.540 1.00 0.14 H new ATOM 0 HB2 PRO A 55 61.723 -3.714 18.164 1.00 0.17 H new ATOM 0 HB3 PRO A 55 60.701 -2.671 17.194 1.00 0.17 H new ATOM 0 HG2 PRO A 55 63.234 -3.869 16.400 1.00 0.19 H new ATOM 0 HG3 PRO A 55 62.217 -2.819 15.434 1.00 0.19 H new ATOM 0 HD2 PRO A 55 64.757 -2.150 16.700 1.00 0.17 H new ATOM 0 HD3 PRO A 55 63.773 -1.121 15.678 1.00 0.17 H new ATOM 874 N LYS A 56 63.796 -2.210 20.099 1.00 0.15 N ATOM 875 CA LYS A 56 64.237 -2.658 21.421 1.00 0.17 C ATOM 876 C LYS A 56 64.340 -1.466 22.390 1.00 0.16 C ATOM 877 O LYS A 56 64.874 -1.588 23.474 1.00 0.17 O ATOM 878 CB LYS A 56 65.606 -3.332 21.297 1.00 0.23 C ATOM 879 CG LYS A 56 65.417 -4.827 21.035 1.00 0.47 C ATOM 880 CD LYS A 56 65.413 -5.084 19.527 1.00 1.11 C ATOM 881 CE LYS A 56 65.406 -6.591 19.266 1.00 1.42 C ATOM 882 NZ LYS A 56 66.656 -7.195 19.810 1.00 2.40 N ATOM 0 H LYS A 56 64.546 -2.039 19.429 1.00 0.15 H new ATOM 0 HA LYS A 56 63.507 -3.366 21.813 1.00 0.17 H new ATOM 0 HB2 LYS A 56 66.174 -2.879 20.485 1.00 0.23 H new ATOM 0 HB3 LYS A 56 66.181 -3.182 22.211 1.00 0.23 H new ATOM 0 HG2 LYS A 56 66.218 -5.394 21.509 1.00 0.47 H new ATOM 0 HG3 LYS A 56 64.480 -5.169 21.475 1.00 0.47 H new ATOM 0 HD2 LYS A 56 64.538 -4.621 19.071 1.00 1.11 H new ATOM 0 HD3 LYS A 56 66.290 -4.629 19.067 1.00 1.11 H new ATOM 0 HE2 LYS A 56 64.535 -7.048 19.735 1.00 1.42 H new ATOM 0 HE3 LYS A 56 65.331 -6.785 18.196 1.00 1.42 H new ATOM 0 HZ1 LYS A 56 67.054 -7.857 19.113 1.00 2.40 H new ATOM 0 HZ2 LYS A 56 67.347 -6.444 20.007 1.00 2.40 H new ATOM 0 HZ3 LYS A 56 66.440 -7.707 20.689 1.00 2.40 H new ATOM 896 N GLN A 57 63.839 -0.315 22.013 1.00 0.14 N ATOM 897 CA GLN A 57 63.921 0.861 22.919 1.00 0.14 C ATOM 898 C GLN A 57 62.684 0.895 23.815 1.00 0.14 C ATOM 899 O GLN A 57 61.749 0.142 23.628 1.00 0.17 O ATOM 900 CB GLN A 57 63.986 2.142 22.087 1.00 0.14 C ATOM 901 CG GLN A 57 65.352 2.804 22.275 1.00 0.21 C ATOM 902 CD GLN A 57 65.531 3.198 23.742 1.00 0.91 C ATOM 903 OE1 GLN A 57 64.761 3.973 24.273 1.00 1.46 O ATOM 904 NE2 GLN A 57 66.522 2.693 24.424 1.00 1.76 N ATOM 0 H GLN A 57 63.379 -0.144 21.119 1.00 0.14 H new ATOM 0 HA GLN A 57 64.816 0.786 23.536 1.00 0.14 H new ATOM 0 HB2 GLN A 57 63.823 1.913 21.034 1.00 0.14 H new ATOM 0 HB3 GLN A 57 63.194 2.826 22.391 1.00 0.14 H new ATOM 0 HG2 GLN A 57 66.144 2.120 21.972 1.00 0.21 H new ATOM 0 HG3 GLN A 57 65.431 3.685 21.639 1.00 0.21 H new ATOM 0 HE21 GLN A 57 67.169 2.042 23.978 1.00 1.76 H new ATOM 0 HE22 GLN A 57 66.650 2.949 25.403 1.00 1.76 H new ATOM 913 N LYS A 58 62.677 1.749 24.798 1.00 0.18 N ATOM 914 CA LYS A 58 61.509 1.816 25.718 1.00 0.21 C ATOM 915 C LYS A 58 60.533 2.906 25.266 1.00 0.18 C ATOM 916 O LYS A 58 59.407 2.961 25.729 1.00 0.20 O ATOM 917 CB LYS A 58 62.007 2.131 27.140 1.00 0.28 C ATOM 918 CG LYS A 58 60.815 2.381 28.108 1.00 0.43 C ATOM 919 CD LYS A 58 59.753 1.274 27.961 1.00 1.14 C ATOM 920 CE LYS A 58 59.302 0.812 29.348 1.00 1.87 C ATOM 921 NZ LYS A 58 58.000 0.096 29.233 1.00 2.45 N ATOM 0 H LYS A 58 63.431 2.405 25.005 1.00 0.18 H new ATOM 0 HA LYS A 58 60.991 0.857 25.706 1.00 0.21 H new ATOM 0 HB2 LYS A 58 62.612 1.302 27.509 1.00 0.28 H new ATOM 0 HB3 LYS A 58 62.651 3.010 27.117 1.00 0.28 H new ATOM 0 HG2 LYS A 58 61.175 2.412 29.136 1.00 0.43 H new ATOM 0 HG3 LYS A 58 60.367 3.352 27.898 1.00 0.43 H new ATOM 0 HD2 LYS A 58 58.899 1.647 27.395 1.00 1.14 H new ATOM 0 HD3 LYS A 58 60.164 0.433 27.402 1.00 1.14 H new ATOM 0 HE2 LYS A 58 60.053 0.155 29.787 1.00 1.87 H new ATOM 0 HE3 LYS A 58 59.201 1.669 30.014 1.00 1.87 H new ATOM 0 HZ1 LYS A 58 57.692 -0.219 30.175 1.00 2.45 H new ATOM 0 HZ2 LYS A 58 57.286 0.737 28.832 1.00 2.45 H new ATOM 0 HZ3 LYS A 58 58.112 -0.730 28.612 1.00 2.45 H new ATOM 935 N TRP A 59 60.931 3.760 24.365 1.00 0.17 N ATOM 936 CA TRP A 59 59.997 4.810 23.900 1.00 0.17 C ATOM 937 C TRP A 59 59.327 4.318 22.634 1.00 0.15 C ATOM 938 O TRP A 59 58.207 4.654 22.348 1.00 0.16 O ATOM 939 CB TRP A 59 60.755 6.150 23.683 1.00 0.19 C ATOM 940 CG TRP A 59 61.559 6.131 22.410 1.00 0.16 C ATOM 941 CD1 TRP A 59 62.854 5.728 22.301 1.00 0.18 C ATOM 942 CD2 TRP A 59 61.143 6.544 21.085 1.00 0.15 C ATOM 943 NE1 TRP A 59 63.264 5.871 20.978 1.00 0.15 N ATOM 944 CE2 TRP A 59 62.252 6.369 20.182 1.00 0.13 C ATOM 945 CE3 TRP A 59 59.901 7.060 20.556 1.00 0.20 C ATOM 946 CZ2 TRP A 59 62.139 6.698 18.794 1.00 0.16 C ATOM 947 CZ3 TRP A 59 59.793 7.390 19.161 1.00 0.24 C ATOM 948 CH2 TRP A 59 60.922 7.204 18.291 1.00 0.22 C ATOM 0 H TRP A 59 61.856 3.773 23.936 1.00 0.17 H new ATOM 0 HA TRP A 59 59.230 5.005 24.650 1.00 0.17 H new ATOM 0 HB2 TRP A 59 60.040 6.972 23.650 1.00 0.19 H new ATOM 0 HB3 TRP A 59 61.416 6.336 24.529 1.00 0.19 H new ATOM 0 HD1 TRP A 59 63.465 5.357 23.110 1.00 0.18 H new ATOM 0 HE1 TRP A 59 64.197 5.637 20.639 1.00 0.15 H new ATOM 0 HE3 TRP A 59 59.053 7.198 21.210 1.00 0.20 H new ATOM 0 HZ2 TRP A 59 62.982 6.559 18.134 1.00 0.16 H new ATOM 0 HZ3 TRP A 59 58.865 7.777 18.767 1.00 0.24 H new ATOM 0 HH2 TRP A 59 60.838 7.454 17.244 1.00 0.22 H new ATOM 959 N VAL A 60 59.995 3.478 21.903 1.00 0.15 N ATOM 960 CA VAL A 60 59.385 2.899 20.712 1.00 0.15 C ATOM 961 C VAL A 60 58.475 1.730 21.137 1.00 0.18 C ATOM 962 O VAL A 60 57.664 1.270 20.383 1.00 0.30 O ATOM 963 CB VAL A 60 60.487 2.413 19.796 1.00 0.15 C ATOM 964 CG1 VAL A 60 59.883 1.733 18.575 1.00 0.17 C ATOM 965 CG2 VAL A 60 61.312 3.614 19.359 1.00 0.17 C ATOM 0 H VAL A 60 60.949 3.172 22.094 1.00 0.15 H new ATOM 0 HA VAL A 60 58.783 3.638 20.184 1.00 0.15 H new ATOM 0 HB VAL A 60 61.117 1.694 20.320 1.00 0.15 H new ATOM 0 HG11 VAL A 60 60.682 1.386 17.920 1.00 0.17 H new ATOM 0 HG12 VAL A 60 59.279 0.883 18.893 1.00 0.17 H new ATOM 0 HG13 VAL A 60 59.255 2.443 18.037 1.00 0.17 H new ATOM 0 HG21 VAL A 60 62.113 3.284 18.697 1.00 0.17 H new ATOM 0 HG22 VAL A 60 60.673 4.322 18.831 1.00 0.17 H new ATOM 0 HG23 VAL A 60 61.742 4.098 20.236 1.00 0.17 H new ATOM 975 N GLN A 61 58.577 1.274 22.366 1.00 0.19 N ATOM 976 CA GLN A 61 57.673 0.186 22.821 1.00 0.21 C ATOM 977 C GLN A 61 56.319 0.801 23.151 1.00 0.21 C ATOM 978 O GLN A 61 55.292 0.158 23.055 1.00 0.23 O ATOM 979 CB GLN A 61 58.255 -0.484 24.068 1.00 0.25 C ATOM 980 CG GLN A 61 59.094 -1.695 23.653 1.00 0.32 C ATOM 981 CD GLN A 61 58.959 -2.794 24.708 1.00 0.95 C ATOM 982 OE1 GLN A 61 58.266 -2.627 25.691 1.00 1.80 O ATOM 983 NE2 GLN A 61 59.599 -3.920 24.545 1.00 1.43 N ATOM 0 H GLN A 61 59.243 1.610 23.062 1.00 0.19 H new ATOM 0 HA GLN A 61 57.565 -0.566 22.040 1.00 0.21 H new ATOM 0 HB2 GLN A 61 58.870 0.226 24.621 1.00 0.25 H new ATOM 0 HB3 GLN A 61 57.451 -0.796 24.735 1.00 0.25 H new ATOM 0 HG2 GLN A 61 58.763 -2.065 22.683 1.00 0.32 H new ATOM 0 HG3 GLN A 61 60.140 -1.407 23.544 1.00 0.32 H new ATOM 0 HE21 GLN A 61 60.181 -4.061 23.719 1.00 1.43 H new ATOM 0 HE22 GLN A 61 59.517 -4.659 25.243 1.00 1.43 H new ATOM 992 N ASP A 62 56.306 2.054 23.529 1.00 0.20 N ATOM 993 CA ASP A 62 55.042 2.710 23.848 1.00 0.22 C ATOM 994 C ASP A 62 54.435 3.295 22.568 1.00 0.20 C ATOM 995 O ASP A 62 53.265 3.142 22.294 1.00 0.21 O ATOM 996 CB ASP A 62 55.288 3.833 24.859 1.00 0.26 C ATOM 997 CG ASP A 62 54.710 3.433 26.218 1.00 1.00 C ATOM 998 OD1 ASP A 62 53.529 3.132 26.272 1.00 1.45 O ATOM 999 OD2 ASP A 62 55.459 3.434 27.181 1.00 1.76 O ATOM 0 H ASP A 62 57.135 2.641 23.626 1.00 0.20 H new ATOM 0 HA ASP A 62 54.353 1.983 24.278 1.00 0.22 H new ATOM 0 HB2 ASP A 62 56.357 4.027 24.950 1.00 0.26 H new ATOM 0 HB3 ASP A 62 54.824 4.757 24.512 1.00 0.26 H new ATOM 1004 N SER A 63 55.238 3.955 21.786 1.00 0.24 N ATOM 1005 CA SER A 63 54.757 4.562 20.521 1.00 0.24 C ATOM 1006 C SER A 63 54.366 3.468 19.543 1.00 0.24 C ATOM 1007 O SER A 63 53.284 3.449 19.019 1.00 0.28 O ATOM 1008 CB SER A 63 55.898 5.342 19.916 1.00 0.21 C ATOM 1009 OG SER A 63 56.672 5.934 20.950 1.00 0.28 O ATOM 0 H SER A 63 56.229 4.101 21.976 1.00 0.24 H new ATOM 0 HA SER A 63 53.898 5.202 20.722 1.00 0.24 H new ATOM 0 HB2 SER A 63 56.522 4.683 19.312 1.00 0.21 H new ATOM 0 HB3 SER A 63 55.512 6.114 19.250 1.00 0.21 H new ATOM 0 HG SER A 63 57.445 5.365 21.146 1.00 0.28 H new ATOM 1015 N MET A 64 55.275 2.577 19.267 1.00 0.25 N ATOM 1016 CA MET A 64 55.000 1.476 18.296 1.00 0.29 C ATOM 1017 C MET A 64 53.703 0.771 18.665 1.00 0.29 C ATOM 1018 O MET A 64 53.052 0.206 17.828 1.00 0.29 O ATOM 1019 CB MET A 64 56.146 0.470 18.344 1.00 0.33 C ATOM 1020 CG MET A 64 55.910 -0.651 17.328 1.00 0.98 C ATOM 1021 SD MET A 64 56.222 -2.264 18.113 1.00 1.04 S ATOM 1022 CE MET A 64 57.795 -1.850 18.925 1.00 0.60 C ATOM 0 H MET A 64 56.209 2.562 19.676 1.00 0.25 H new ATOM 0 HA MET A 64 54.910 1.894 17.293 1.00 0.29 H new ATOM 0 HB2 MET A 64 57.089 0.972 18.129 1.00 0.33 H new ATOM 0 HB3 MET A 64 56.229 0.050 19.347 1.00 0.33 H new ATOM 0 HG2 MET A 64 54.886 -0.608 16.956 1.00 0.98 H new ATOM 0 HG3 MET A 64 56.567 -0.521 16.468 1.00 0.98 H new ATOM 0 HE1 MET A 64 58.374 -2.760 19.081 1.00 0.60 H new ATOM 0 HE2 MET A 64 58.360 -1.164 18.295 1.00 0.60 H new ATOM 0 HE3 MET A 64 57.595 -1.378 19.887 1.00 0.60 H new ATOM 1032 N ASP A 65 53.325 0.808 19.918 1.00 0.31 N ATOM 1033 CA ASP A 65 52.084 0.158 20.343 1.00 0.33 C ATOM 1034 C ASP A 65 50.935 1.095 20.084 1.00 0.27 C ATOM 1035 O ASP A 65 49.859 0.697 19.685 1.00 0.28 O ATOM 1036 CB ASP A 65 52.157 -0.171 21.836 1.00 0.41 C ATOM 1037 CG ASP A 65 52.350 -1.678 22.017 1.00 0.94 C ATOM 1038 OD1 ASP A 65 52.925 -2.292 21.134 1.00 1.51 O ATOM 1039 OD2 ASP A 65 51.920 -2.191 23.037 1.00 1.51 O ATOM 0 H ASP A 65 53.843 1.273 20.664 1.00 0.31 H new ATOM 0 HA ASP A 65 51.941 -0.768 19.785 1.00 0.33 H new ATOM 0 HB2 ASP A 65 52.982 0.370 22.299 1.00 0.41 H new ATOM 0 HB3 ASP A 65 51.244 0.152 22.336 1.00 0.41 H new ATOM 1044 N HIS A 66 51.166 2.340 20.287 1.00 0.27 N ATOM 1045 CA HIS A 66 50.121 3.343 20.047 1.00 0.29 C ATOM 1046 C HIS A 66 49.708 3.279 18.582 1.00 0.22 C ATOM 1047 O HIS A 66 48.579 3.541 18.230 1.00 0.31 O ATOM 1048 CB HIS A 66 50.662 4.739 20.371 1.00 0.42 C ATOM 1049 CG HIS A 66 49.594 5.767 20.106 1.00 0.76 C ATOM 1050 ND1 HIS A 66 49.380 6.613 19.048 1.00 1.85 N flip ATOM 1051 CD2 HIS A 66 48.567 6.015 21.004 1.00 1.03 C flip ATOM 1052 CE1 HIS A 66 48.240 7.376 19.279 1.00 2.63 C flip ATOM 1053 NE2 HIS A 66 47.788 6.976 20.471 1.00 2.15 N flip ATOM 0 H HIS A 66 52.055 2.716 20.617 1.00 0.27 H new ATOM 0 HA HIS A 66 49.260 3.141 20.684 1.00 0.29 H new ATOM 0 HB2 HIS A 66 50.976 4.786 21.414 1.00 0.42 H new ATOM 0 HB3 HIS A 66 51.542 4.949 19.764 1.00 0.42 H new ATOM 0 HD2 HIS A 66 48.419 5.527 21.956 1.00 1.03 H new ATOM 0 HE1 HIS A 66 47.812 8.129 18.634 1.00 2.63 H new ATOM 0 HE2 HIS A 66 46.954 7.353 20.922 1.00 2.15 H new ATOM 1061 N LEU A 67 50.621 2.902 17.733 1.00 0.18 N ATOM 1062 CA LEU A 67 50.307 2.784 16.289 1.00 0.18 C ATOM 1063 C LEU A 67 49.837 1.370 16.031 1.00 0.21 C ATOM 1064 O LEU A 67 48.960 1.128 15.225 1.00 0.23 O ATOM 1065 CB LEU A 67 51.567 3.094 15.449 1.00 0.24 C ATOM 1066 CG LEU A 67 52.336 4.282 16.067 1.00 0.19 C ATOM 1067 CD1 LEU A 67 53.715 4.381 15.456 1.00 0.19 C ATOM 1068 CD2 LEU A 67 51.599 5.558 15.786 1.00 0.28 C ATOM 0 H LEU A 67 51.582 2.669 17.984 1.00 0.18 H new ATOM 0 HA LEU A 67 49.530 3.495 16.007 1.00 0.18 H new ATOM 0 HB2 LEU A 67 52.211 2.216 15.407 1.00 0.24 H new ATOM 0 HB3 LEU A 67 51.282 3.329 14.424 1.00 0.24 H new ATOM 0 HG LEU A 67 52.419 4.123 17.142 1.00 0.19 H new ATOM 0 HD11 LEU A 67 54.249 5.222 15.898 1.00 0.19 H new ATOM 0 HD12 LEU A 67 54.265 3.460 15.648 1.00 0.19 H new ATOM 0 HD13 LEU A 67 53.626 4.533 14.380 1.00 0.19 H new ATOM 0 HD21 LEU A 67 52.143 6.396 16.223 1.00 0.28 H new ATOM 0 HD22 LEU A 67 51.517 5.701 14.709 1.00 0.28 H new ATOM 0 HD23 LEU A 67 50.602 5.506 16.222 1.00 0.28 H new ATOM 1080 N ASP A 68 50.337 0.443 16.793 1.00 0.25 N ATOM 1081 CA ASP A 68 49.854 -0.921 16.699 1.00 0.32 C ATOM 1082 C ASP A 68 48.386 -0.957 17.136 1.00 0.35 C ATOM 1083 O ASP A 68 47.683 -1.919 16.893 1.00 0.42 O ATOM 1084 CB ASP A 68 50.706 -1.823 17.597 1.00 0.39 C ATOM 1085 CG ASP A 68 51.349 -2.926 16.754 1.00 0.46 C ATOM 1086 OD1 ASP A 68 50.625 -3.587 16.027 1.00 0.80 O ATOM 1087 OD2 ASP A 68 52.553 -3.092 16.850 1.00 0.62 O ATOM 0 H ASP A 68 51.072 0.594 17.483 1.00 0.25 H new ATOM 0 HA ASP A 68 49.929 -1.281 15.673 1.00 0.32 H new ATOM 0 HB2 ASP A 68 51.477 -1.235 18.094 1.00 0.39 H new ATOM 0 HB3 ASP A 68 50.088 -2.263 18.379 1.00 0.39 H new ATOM 1092 N LYS A 69 47.893 0.112 17.749 1.00 0.34 N ATOM 1093 CA LYS A 69 46.506 0.142 18.135 1.00 0.42 C ATOM 1094 C LYS A 69 45.908 1.498 17.790 1.00 0.44 C ATOM 1095 O LYS A 69 45.141 2.066 18.542 1.00 0.52 O ATOM 1096 CB LYS A 69 46.360 -0.142 19.632 1.00 0.49 C ATOM 1097 CG LYS A 69 47.048 0.964 20.435 1.00 0.48 C ATOM 1098 CD LYS A 69 47.698 0.360 21.682 1.00 0.64 C ATOM 1099 CE LYS A 69 47.435 1.264 22.886 1.00 1.02 C ATOM 1100 NZ LYS A 69 46.558 0.553 23.858 1.00 1.56 N ATOM 0 H LYS A 69 48.428 0.949 17.982 1.00 0.34 H new ATOM 0 HA LYS A 69 45.969 -0.633 17.588 1.00 0.42 H new ATOM 0 HB2 LYS A 69 45.305 -0.197 19.900 1.00 0.49 H new ATOM 0 HB3 LYS A 69 46.802 -1.109 19.874 1.00 0.49 H new ATOM 0 HG2 LYS A 69 47.802 1.458 19.822 1.00 0.48 H new ATOM 0 HG3 LYS A 69 46.322 1.725 20.722 1.00 0.48 H new ATOM 0 HD2 LYS A 69 47.296 -0.636 21.868 1.00 0.64 H new ATOM 0 HD3 LYS A 69 48.771 0.247 21.527 1.00 0.64 H new ATOM 0 HE2 LYS A 69 48.377 1.537 23.362 1.00 1.02 H new ATOM 0 HE3 LYS A 69 46.961 2.191 22.562 1.00 1.02 H new ATOM 0 HZ1 LYS A 69 46.379 1.167 24.678 1.00 1.56 H new ATOM 0 HZ2 LYS A 69 45.655 0.314 23.400 1.00 1.56 H new ATOM 0 HZ3 LYS A 69 47.027 -0.319 24.175 1.00 1.56 H new ATOM 1114 N GLN A 70 46.244 2.011 16.643 1.00 0.41 N ATOM 1115 CA GLN A 70 45.708 3.288 16.220 1.00 0.48 C ATOM 1116 C GLN A 70 44.666 3.074 15.135 1.00 0.77 C ATOM 1117 O GLN A 70 43.683 3.783 15.044 1.00 1.09 O ATOM 1118 CB GLN A 70 46.833 4.190 15.689 1.00 0.82 C ATOM 1119 CG GLN A 70 47.458 3.567 14.434 1.00 1.49 C ATOM 1120 CD GLN A 70 46.716 4.066 13.193 1.00 2.10 C ATOM 1121 OE1 GLN A 70 45.708 4.734 13.302 1.00 2.34 O ATOM 1122 NE2 GLN A 70 47.176 3.766 12.010 1.00 2.88 N ATOM 0 H GLN A 70 46.884 1.573 15.980 1.00 0.41 H new ATOM 0 HA GLN A 70 45.243 3.775 17.077 1.00 0.48 H new ATOM 0 HB2 GLN A 70 46.438 5.179 15.456 1.00 0.82 H new ATOM 0 HB3 GLN A 70 47.595 4.324 16.456 1.00 0.82 H new ATOM 0 HG2 GLN A 70 48.513 3.832 14.371 1.00 1.49 H new ATOM 0 HG3 GLN A 70 47.405 2.480 14.490 1.00 1.49 H new ATOM 0 HE21 GLN A 70 48.023 3.205 11.919 1.00 2.88 H new ATOM 0 HE22 GLN A 70 46.689 4.093 11.175 1.00 2.88 H new ATOM 1131 N THR A 71 44.884 2.114 14.312 1.00 0.95 N ATOM 1132 CA THR A 71 43.950 1.836 13.225 1.00 1.53 C ATOM 1133 C THR A 71 42.976 0.718 13.630 1.00 1.83 C ATOM 1134 O THR A 71 42.274 0.172 12.803 1.00 2.29 O ATOM 1135 CB THR A 71 44.729 1.409 11.978 1.00 1.73 C ATOM 1136 OG1 THR A 71 43.817 0.999 10.969 1.00 2.48 O ATOM 1137 CG2 THR A 71 45.660 0.248 12.329 1.00 1.57 C ATOM 0 H THR A 71 45.693 1.495 14.350 1.00 0.95 H new ATOM 0 HA THR A 71 43.380 2.740 13.011 1.00 1.53 H new ATOM 0 HB THR A 71 45.321 2.249 11.614 1.00 1.73 H new ATOM 0 HG1 THR A 71 43.202 0.330 11.336 1.00 2.48 H new ATOM 0 HG21 THR A 71 46.214 -0.055 11.441 1.00 1.57 H new ATOM 0 HG22 THR A 71 46.360 0.564 13.103 1.00 1.57 H new ATOM 0 HG23 THR A 71 45.071 -0.593 12.694 1.00 1.57 H new ATOM 1145 N GLN A 72 42.937 0.361 14.890 1.00 1.85 N ATOM 1146 CA GLN A 72 42.040 -0.707 15.320 1.00 2.37 C ATOM 1147 C GLN A 72 40.683 -0.118 15.708 1.00 2.58 C ATOM 1148 O GLN A 72 40.537 0.504 16.741 1.00 2.95 O ATOM 1149 CB GLN A 72 42.649 -1.434 16.521 1.00 2.78 C ATOM 1150 CG GLN A 72 43.941 -2.132 16.091 1.00 2.79 C ATOM 1151 CD GLN A 72 43.931 -3.579 16.588 1.00 3.37 C ATOM 1152 OE1 GLN A 72 43.048 -4.342 16.251 1.00 3.66 O ATOM 1153 NE2 GLN A 72 44.883 -3.990 17.380 1.00 3.97 N ATOM 0 H GLN A 72 43.500 0.779 15.631 1.00 1.85 H new ATOM 0 HA GLN A 72 41.902 -1.413 14.501 1.00 2.37 H new ATOM 0 HB2 GLN A 72 42.855 -0.725 17.323 1.00 2.78 H new ATOM 0 HB3 GLN A 72 41.942 -2.164 16.915 1.00 2.78 H new ATOM 0 HG2 GLN A 72 44.034 -2.110 15.005 1.00 2.79 H new ATOM 0 HG3 GLN A 72 44.804 -1.604 16.496 1.00 2.79 H new ATOM 0 HE21 GLN A 72 45.624 -3.348 17.662 1.00 3.97 H new ATOM 0 HE22 GLN A 72 44.886 -4.953 17.717 1.00 3.97 H new ATOM 1162 N THR A 73 39.689 -0.304 14.883 1.00 2.73 N ATOM 1163 CA THR A 73 38.345 0.247 15.195 1.00 3.12 C ATOM 1164 C THR A 73 37.411 -0.901 15.660 1.00 3.08 C ATOM 1165 O THR A 73 36.896 -1.628 14.834 1.00 3.31 O ATOM 1166 CB THR A 73 37.767 0.890 13.935 1.00 3.69 C ATOM 1167 OG1 THR A 73 38.782 1.636 13.277 1.00 4.19 O ATOM 1168 CG2 THR A 73 36.617 1.820 14.317 1.00 4.22 C ATOM 0 H THR A 73 39.753 -0.816 14.003 1.00 2.73 H new ATOM 0 HA THR A 73 38.427 0.991 15.987 1.00 3.12 H new ATOM 0 HB THR A 73 37.396 0.112 13.268 1.00 3.69 H new ATOM 0 HG1 THR A 73 38.413 2.047 12.468 1.00 4.19 H new ATOM 0 HG21 THR A 73 36.205 2.278 13.418 1.00 4.22 H new ATOM 0 HG22 THR A 73 35.839 1.248 14.822 1.00 4.22 H new ATOM 0 HG23 THR A 73 36.985 2.599 14.985 1.00 4.22 H new ATOM 1176 N PRO A 74 37.212 -1.039 16.979 1.00 3.34 N ATOM 1177 CA PRO A 74 36.346 -2.097 17.508 1.00 3.73 C ATOM 1178 C PRO A 74 34.932 -1.960 16.935 1.00 3.74 C ATOM 1179 O PRO A 74 34.280 -0.947 17.098 1.00 3.84 O ATOM 1180 CB PRO A 74 36.335 -1.886 19.033 1.00 4.47 C ATOM 1181 CG PRO A 74 37.274 -0.678 19.345 1.00 4.63 C ATOM 1182 CD PRO A 74 37.824 -0.166 18.002 1.00 3.85 C ATOM 0 HA PRO A 74 36.702 -3.092 17.240 1.00 3.73 H new ATOM 0 HB2 PRO A 74 35.323 -1.686 19.385 1.00 4.47 H new ATOM 0 HB3 PRO A 74 36.680 -2.783 19.547 1.00 4.47 H new ATOM 0 HG2 PRO A 74 36.727 0.110 19.862 1.00 4.63 H new ATOM 0 HG3 PRO A 74 38.088 -0.984 20.002 1.00 4.63 H new ATOM 0 HD2 PRO A 74 37.558 0.879 17.839 1.00 3.85 H new ATOM 0 HD3 PRO A 74 38.912 -0.226 17.972 1.00 3.85 H new ATOM 1190 N LYS A 75 34.455 -2.972 16.263 1.00 4.09 N ATOM 1191 CA LYS A 75 33.086 -2.902 15.677 1.00 4.41 C ATOM 1192 C LYS A 75 32.071 -2.603 16.782 1.00 4.91 C ATOM 1193 O LYS A 75 31.968 -3.322 17.756 1.00 5.34 O ATOM 1194 CB LYS A 75 32.745 -4.241 15.020 1.00 4.71 C ATOM 1195 CG LYS A 75 31.484 -4.085 14.167 1.00 5.26 C ATOM 1196 CD LYS A 75 30.489 -5.193 14.519 1.00 5.96 C ATOM 1197 CE LYS A 75 29.131 -4.880 13.888 1.00 6.88 C ATOM 1198 NZ LYS A 75 28.229 -4.288 14.916 1.00 7.56 N ATOM 0 H LYS A 75 34.955 -3.845 16.094 1.00 4.09 H new ATOM 0 HA LYS A 75 33.051 -2.110 14.929 1.00 4.41 H new ATOM 0 HB2 LYS A 75 33.577 -4.576 14.400 1.00 4.71 H new ATOM 0 HB3 LYS A 75 32.589 -5.003 15.783 1.00 4.71 H new ATOM 0 HG2 LYS A 75 31.033 -3.108 14.341 1.00 5.26 H new ATOM 0 HG3 LYS A 75 31.740 -4.134 13.109 1.00 5.26 H new ATOM 0 HD2 LYS A 75 30.856 -6.154 14.159 1.00 5.96 H new ATOM 0 HD3 LYS A 75 30.389 -5.276 15.601 1.00 5.96 H new ATOM 0 HE2 LYS A 75 29.256 -4.187 13.056 1.00 6.88 H new ATOM 0 HE3 LYS A 75 28.689 -5.790 13.481 1.00 6.88 H new ATOM 0 HZ1 LYS A 75 27.582 -3.612 14.462 1.00 7.56 H new ATOM 0 HZ2 LYS A 75 27.677 -5.044 15.370 1.00 7.56 H new ATOM 0 HZ3 LYS A 75 28.797 -3.795 15.634 1.00 7.56 H new ATOM 1212 N THR A 76 31.318 -1.546 16.638 1.00 5.23 N ATOM 1213 CA THR A 76 30.309 -1.203 17.679 1.00 6.07 C ATOM 1214 C THR A 76 28.913 -1.586 17.182 1.00 6.41 C ATOM 1215 O THR A 76 28.239 -2.325 17.881 1.00 6.58 O ATOM 1216 CB THR A 76 30.355 0.301 17.959 1.00 6.74 C ATOM 1217 OG1 THR A 76 30.041 1.013 16.769 1.00 6.83 O ATOM 1218 CG2 THR A 76 31.756 0.691 18.433 1.00 7.16 C ATOM 1219 OXT THR A 76 28.543 -1.135 16.111 1.00 6.77 O ATOM 0 H THR A 76 31.358 -0.906 15.845 1.00 5.23 H new ATOM 0 HA THR A 76 30.532 -1.750 18.595 1.00 6.07 H new ATOM 0 HB THR A 76 29.629 0.549 18.734 1.00 6.74 H new ATOM 0 HG1 THR A 76 29.404 0.493 16.235 1.00 6.83 H new ATOM 0 HG21 THR A 76 31.788 1.762 18.632 1.00 7.16 H new ATOM 0 HG22 THR A 76 31.997 0.145 19.345 1.00 7.16 H new ATOM 0 HG23 THR A 76 32.484 0.444 17.660 1.00 7.16 H new TER 1227 THR A 76 ATOM 1228 N GLN B 1 70.699 21.228 8.009 1.00 2.28 N ATOM 1229 CA GLN B 1 71.369 19.905 8.155 1.00 1.93 C ATOM 1230 C GLN B 1 70.328 18.775 7.962 1.00 1.68 C ATOM 1231 O GLN B 1 69.169 18.961 8.275 1.00 1.56 O ATOM 1232 CB GLN B 1 71.987 19.798 9.551 1.00 2.26 C ATOM 1233 CG GLN B 1 70.970 20.256 10.598 1.00 2.81 C ATOM 1234 CD GLN B 1 71.390 21.616 11.158 1.00 3.63 C ATOM 1235 OE1 GLN B 1 70.596 22.534 11.217 1.00 3.96 O ATOM 1236 NE2 GLN B 1 72.615 21.786 11.576 1.00 4.42 N ATOM 0 H1 GLN B 1 71.199 21.936 8.584 1.00 2.28 H new ATOM 0 H2 GLN B 1 70.717 21.518 7.010 1.00 2.28 H new ATOM 0 H3 GLN B 1 69.713 21.155 8.330 1.00 2.28 H new ATOM 0 HA GLN B 1 72.152 19.809 7.403 1.00 1.93 H new ATOM 0 HB2 GLN B 1 72.289 18.769 9.748 1.00 2.26 H new ATOM 0 HB3 GLN B 1 72.886 20.411 9.610 1.00 2.26 H new ATOM 0 HG2 GLN B 1 69.978 20.326 10.151 1.00 2.81 H new ATOM 0 HG3 GLN B 1 70.906 19.524 11.403 1.00 2.81 H new ATOM 0 HE21 GLN B 1 73.282 21.016 11.527 1.00 4.42 H new ATOM 0 HE22 GLN B 1 72.905 22.689 11.952 1.00 4.42 H new ATOM 1247 N PRO B 2 70.771 17.621 7.443 1.00 1.77 N ATOM 1248 CA PRO B 2 69.866 16.491 7.217 1.00 1.60 C ATOM 1249 C PRO B 2 69.255 16.028 8.541 1.00 1.16 C ATOM 1250 O PRO B 2 69.838 15.243 9.262 1.00 1.35 O ATOM 1251 CB PRO B 2 70.746 15.381 6.615 1.00 1.87 C ATOM 1252 CG PRO B 2 72.201 15.938 6.516 1.00 2.28 C ATOM 1253 CD PRO B 2 72.179 17.378 7.057 1.00 2.18 C ATOM 0 HA PRO B 2 69.039 16.756 6.559 1.00 1.60 H new ATOM 0 HB2 PRO B 2 70.719 14.489 7.240 1.00 1.87 H new ATOM 0 HB3 PRO B 2 70.378 15.092 5.631 1.00 1.87 H new ATOM 0 HG2 PRO B 2 72.889 15.321 7.094 1.00 2.28 H new ATOM 0 HG3 PRO B 2 72.549 15.921 5.483 1.00 2.28 H new ATOM 0 HD2 PRO B 2 72.847 17.489 7.911 1.00 2.18 H new ATOM 0 HD3 PRO B 2 72.509 18.089 6.300 1.00 2.18 H new ATOM 1261 N ASP B 3 68.090 16.519 8.874 1.00 1.06 N ATOM 1262 CA ASP B 3 67.456 16.125 10.133 1.00 0.95 C ATOM 1263 C ASP B 3 66.612 14.865 9.919 1.00 0.97 C ATOM 1264 O ASP B 3 65.464 14.799 10.310 1.00 1.71 O ATOM 1265 CB ASP B 3 66.559 17.259 10.646 1.00 1.38 C ATOM 1266 CG ASP B 3 67.284 18.603 10.506 1.00 1.86 C ATOM 1267 OD1 ASP B 3 68.050 18.936 11.396 1.00 2.32 O ATOM 1268 OD2 ASP B 3 67.060 19.274 9.512 1.00 2.48 O ATOM 0 H ASP B 3 67.558 17.182 8.311 1.00 1.06 H new ATOM 0 HA ASP B 3 68.233 15.920 10.869 1.00 0.95 H new ATOM 0 HB2 ASP B 3 65.626 17.279 10.083 1.00 1.38 H new ATOM 0 HB3 ASP B 3 66.298 17.084 11.690 1.00 1.38 H new ATOM 1273 N ALA B 4 67.176 13.864 9.307 1.00 0.36 N ATOM 1274 CA ALA B 4 66.419 12.603 9.071 1.00 0.33 C ATOM 1275 C ALA B 4 67.394 11.515 8.646 1.00 0.26 C ATOM 1276 O ALA B 4 67.340 11.015 7.540 1.00 0.33 O ATOM 1277 CB ALA B 4 65.389 12.816 7.963 1.00 0.42 C ATOM 0 H ALA B 4 68.134 13.864 8.958 1.00 0.36 H new ATOM 0 HA ALA B 4 65.905 12.310 9.987 1.00 0.33 H new ATOM 0 HB1 ALA B 4 64.839 11.890 7.795 1.00 0.42 H new ATOM 0 HB2 ALA B 4 64.695 13.603 8.258 1.00 0.42 H new ATOM 0 HB3 ALA B 4 65.898 13.107 7.044 1.00 0.42 H new ATOM 1283 N ILE B 5 68.291 11.147 9.510 1.00 0.19 N ATOM 1284 CA ILE B 5 69.271 10.099 9.154 1.00 0.17 C ATOM 1285 C ILE B 5 68.776 8.731 9.609 1.00 0.16 C ATOM 1286 O ILE B 5 69.307 7.720 9.197 1.00 0.17 O ATOM 1287 CB ILE B 5 70.614 10.409 9.808 1.00 0.22 C ATOM 1288 CG1 ILE B 5 71.190 11.688 9.207 1.00 0.55 C ATOM 1289 CG2 ILE B 5 71.569 9.258 9.561 1.00 0.71 C ATOM 1290 CD1 ILE B 5 71.707 12.585 10.327 1.00 1.28 C ATOM 0 H ILE B 5 68.386 11.530 10.451 1.00 0.19 H new ATOM 0 HA ILE B 5 69.391 10.083 8.071 1.00 0.17 H new ATOM 0 HB ILE B 5 70.476 10.544 10.881 1.00 0.22 H new ATOM 0 HG12 ILE B 5 71.998 11.447 8.517 1.00 0.55 H new ATOM 0 HG13 ILE B 5 70.425 12.210 8.632 1.00 0.55 H new ATOM 0 HG21 ILE B 5 72.530 9.476 10.027 1.00 0.71 H new ATOM 0 HG22 ILE B 5 71.157 8.345 9.990 1.00 0.71 H new ATOM 0 HG23 ILE B 5 71.708 9.124 8.488 1.00 0.71 H new ATOM 0 HD11 ILE B 5 72.119 13.499 9.900 1.00 1.28 H new ATOM 0 HD12 ILE B 5 70.887 12.836 11.000 1.00 1.28 H new ATOM 0 HD13 ILE B 5 72.485 12.061 10.883 1.00 1.28 H new ATOM 1302 N ASN B 6 67.789 8.685 10.425 1.00 0.14 N ATOM 1303 CA ASN B 6 67.264 7.383 10.847 1.00 0.14 C ATOM 1304 C ASN B 6 66.190 7.041 9.858 1.00 0.13 C ATOM 1305 O ASN B 6 65.036 7.061 10.164 1.00 0.12 O ATOM 1306 CB ASN B 6 66.661 7.388 12.283 1.00 0.14 C ATOM 1307 CG ASN B 6 66.732 8.780 12.943 1.00 0.14 C ATOM 1308 OD1 ASN B 6 65.931 9.726 12.523 1.00 0.16 O flip ATOM 1309 ND2 ASN B 6 67.542 9.013 13.816 1.00 0.14 N flip ATOM 0 H ASN B 6 67.318 9.498 10.822 1.00 0.14 H new ATOM 0 HA ASN B 6 68.078 6.659 10.875 1.00 0.14 H new ATOM 0 HB2 ASN B 6 65.622 7.062 12.239 1.00 0.14 H new ATOM 0 HB3 ASN B 6 67.196 6.667 12.902 1.00 0.14 H new ATOM 0 HD21 ASN B 6 68.166 8.275 14.143 1.00 0.14 H new ATOM 0 HD22 ASN B 6 67.599 9.947 14.223 1.00 0.14 H new ATOM 1316 N ALA B 7 66.562 6.878 8.633 1.00 0.13 N ATOM 1317 CA ALA B 7 65.566 6.619 7.587 1.00 0.13 C ATOM 1318 C ALA B 7 65.690 5.192 7.048 1.00 0.14 C ATOM 1319 O ALA B 7 66.789 4.718 6.840 1.00 0.16 O ATOM 1320 CB ALA B 7 65.802 7.550 6.406 1.00 0.13 C ATOM 0 H ALA B 7 67.529 6.914 8.310 1.00 0.13 H new ATOM 0 HA ALA B 7 64.584 6.774 8.033 1.00 0.13 H new ATOM 0 HB1 ALA B 7 65.059 7.353 5.633 1.00 0.13 H new ATOM 0 HB2 ALA B 7 65.716 8.585 6.736 1.00 0.13 H new ATOM 0 HB3 ALA B 7 66.800 7.380 6.002 1.00 0.13 H new ATOM 1326 N PRO B 8 64.555 4.580 6.695 1.00 0.14 N ATOM 1327 CA PRO B 8 64.588 3.305 6.031 1.00 0.15 C ATOM 1328 C PRO B 8 65.033 3.568 4.620 1.00 0.16 C ATOM 1329 O PRO B 8 64.303 4.130 3.822 1.00 0.19 O ATOM 1330 CB PRO B 8 63.164 2.790 6.047 1.00 0.16 C ATOM 1331 CG PRO B 8 62.262 3.965 6.540 1.00 0.19 C ATOM 1332 CD PRO B 8 63.202 5.102 6.963 1.00 0.16 C ATOM 0 HA PRO B 8 65.256 2.582 6.499 1.00 0.15 H new ATOM 0 HB2 PRO B 8 62.861 2.462 5.053 1.00 0.16 H new ATOM 0 HB3 PRO B 8 63.072 1.929 6.709 1.00 0.16 H new ATOM 0 HG2 PRO B 8 61.590 4.294 5.748 1.00 0.19 H new ATOM 0 HG3 PRO B 8 61.638 3.648 7.376 1.00 0.19 H new ATOM 0 HD2 PRO B 8 63.007 6.011 6.394 1.00 0.16 H new ATOM 0 HD3 PRO B 8 63.074 5.352 8.016 1.00 0.16 H new ATOM 1340 N VAL B 9 66.237 3.263 4.328 1.00 0.17 N ATOM 1341 CA VAL B 9 66.778 3.588 3.001 1.00 0.19 C ATOM 1342 C VAL B 9 66.500 2.419 2.034 1.00 0.20 C ATOM 1343 O VAL B 9 67.214 1.435 1.995 1.00 0.27 O ATOM 1344 CB VAL B 9 68.272 3.791 3.174 1.00 0.19 C ATOM 1345 CG1 VAL B 9 68.858 2.528 3.755 1.00 0.18 C ATOM 1346 CG2 VAL B 9 68.911 4.117 1.846 1.00 0.22 C ATOM 0 H VAL B 9 66.887 2.794 4.958 1.00 0.17 H new ATOM 0 HA VAL B 9 66.316 4.484 2.587 1.00 0.19 H new ATOM 0 HB VAL B 9 68.463 4.626 3.848 1.00 0.19 H new ATOM 0 HG11 VAL B 9 69.933 2.653 3.887 1.00 0.18 H new ATOM 0 HG12 VAL B 9 68.395 2.322 4.720 1.00 0.18 H new ATOM 0 HG13 VAL B 9 68.670 1.695 3.078 1.00 0.18 H new ATOM 0 HG21 VAL B 9 69.983 4.260 1.983 1.00 0.22 H new ATOM 0 HG22 VAL B 9 68.741 3.296 1.149 1.00 0.22 H new ATOM 0 HG23 VAL B 9 68.471 5.030 1.445 1.00 0.22 H new ATOM 1356 N THR B 10 65.451 2.507 1.270 1.00 0.24 N ATOM 1357 CA THR B 10 65.129 1.395 0.339 1.00 0.26 C ATOM 1358 C THR B 10 66.311 1.151 -0.597 1.00 0.29 C ATOM 1359 O THR B 10 66.585 1.937 -1.482 1.00 0.34 O ATOM 1360 CB THR B 10 63.898 1.748 -0.481 1.00 0.31 C ATOM 1361 OG1 THR B 10 62.940 2.389 0.351 1.00 0.33 O ATOM 1362 CG2 THR B 10 63.305 0.469 -1.054 1.00 0.38 C ATOM 0 H THR B 10 64.805 3.296 1.250 1.00 0.24 H new ATOM 0 HA THR B 10 64.930 0.492 0.917 1.00 0.26 H new ATOM 0 HB THR B 10 64.173 2.422 -1.292 1.00 0.31 H new ATOM 0 HG1 THR B 10 62.148 2.618 -0.179 1.00 0.33 H new ATOM 0 HG21 THR B 10 62.421 0.710 -1.644 1.00 0.38 H new ATOM 0 HG22 THR B 10 64.043 -0.021 -1.689 1.00 0.38 H new ATOM 0 HG23 THR B 10 63.026 -0.199 -0.239 1.00 0.38 H new ATOM 1370 N CYS B 11 67.011 0.058 -0.421 1.00 0.29 N ATOM 1371 CA CYS B 11 68.171 -0.227 -1.327 1.00 0.34 C ATOM 1372 C CYS B 11 68.114 -1.664 -1.825 1.00 0.36 C ATOM 1373 O CYS B 11 67.117 -2.346 -1.697 1.00 0.45 O ATOM 1374 CB CYS B 11 69.492 -0.028 -0.596 1.00 0.34 C ATOM 1375 SG CYS B 11 69.471 1.542 0.259 1.00 0.32 S ATOM 0 H CYS B 11 66.835 -0.642 0.300 1.00 0.29 H new ATOM 0 HA CYS B 11 68.109 0.465 -2.167 1.00 0.34 H new ATOM 0 HB2 CYS B 11 69.652 -0.839 0.115 1.00 0.34 H new ATOM 0 HB3 CYS B 11 70.320 -0.057 -1.305 1.00 0.34 H new ATOM 1380 N CYS B 12 69.191 -2.124 -2.396 1.00 0.34 N ATOM 1381 CA CYS B 12 69.238 -3.519 -2.916 1.00 0.36 C ATOM 1382 C CYS B 12 70.501 -4.220 -2.416 1.00 0.35 C ATOM 1383 O CYS B 12 71.254 -3.692 -1.624 1.00 0.34 O ATOM 1384 CB CYS B 12 69.301 -3.493 -4.443 1.00 0.44 C ATOM 1385 SG CYS B 12 68.046 -2.387 -5.095 1.00 0.47 S ATOM 0 H CYS B 12 70.049 -1.588 -2.526 1.00 0.34 H new ATOM 0 HA CYS B 12 68.348 -4.046 -2.572 1.00 0.36 H new ATOM 0 HB2 CYS B 12 70.289 -3.166 -4.768 1.00 0.44 H new ATOM 0 HB3 CYS B 12 69.152 -4.498 -4.838 1.00 0.44 H new ATOM 1390 N TYR B 13 70.760 -5.382 -2.942 1.00 0.41 N ATOM 1391 CA TYR B 13 72.008 -6.131 -2.588 1.00 0.42 C ATOM 1392 C TYR B 13 72.533 -6.834 -3.850 1.00 0.52 C ATOM 1393 O TYR B 13 73.717 -6.851 -4.119 1.00 0.68 O ATOM 1394 CB TYR B 13 71.718 -7.189 -1.515 1.00 0.41 C ATOM 1395 CG TYR B 13 71.431 -6.523 -0.192 1.00 0.45 C ATOM 1396 CD1 TYR B 13 72.191 -5.373 0.231 1.00 0.76 C ATOM 1397 CD2 TYR B 13 70.380 -7.028 0.640 1.00 0.54 C ATOM 1398 CE1 TYR B 13 71.888 -4.735 1.475 1.00 1.01 C ATOM 1399 CE2 TYR B 13 70.086 -6.391 1.883 1.00 0.86 C ATOM 1400 CZ TYR B 13 70.832 -5.236 2.297 1.00 1.04 C ATOM 1401 OH TYR B 13 70.532 -4.611 3.486 1.00 1.38 O ATOM 0 H TYR B 13 70.155 -5.856 -3.612 1.00 0.41 H new ATOM 0 HA TYR B 13 72.746 -5.429 -2.200 1.00 0.42 H new ATOM 0 HB2 TYR B 13 70.866 -7.799 -1.816 1.00 0.41 H new ATOM 0 HB3 TYR B 13 72.571 -7.860 -1.415 1.00 0.41 H new ATOM 0 HD1 TYR B 13 72.988 -4.994 -0.391 1.00 0.76 H new ATOM 0 HD2 TYR B 13 69.810 -7.890 0.327 1.00 0.54 H new ATOM 0 HE1 TYR B 13 72.458 -3.874 1.793 1.00 1.01 H new ATOM 0 HE2 TYR B 13 69.300 -6.779 2.514 1.00 0.86 H new ATOM 0 HH TYR B 13 69.564 -4.468 3.545 1.00 1.38 H new ATOM 1411 N ASN B 14 71.646 -7.412 -4.628 1.00 0.47 N ATOM 1412 CA ASN B 14 72.068 -8.108 -5.869 1.00 0.56 C ATOM 1413 C ASN B 14 71.353 -7.463 -7.048 1.00 0.59 C ATOM 1414 O ASN B 14 70.631 -6.497 -6.884 1.00 0.60 O ATOM 1415 CB ASN B 14 71.668 -9.580 -5.772 1.00 0.58 C ATOM 1416 CG ASN B 14 72.321 -10.198 -4.543 1.00 0.54 C ATOM 1417 OD1 ASN B 14 71.610 -10.366 -3.470 1.00 0.60 O flip ATOM 1418 ND2 ASN B 14 73.489 -10.530 -4.560 1.00 0.53 N flip ATOM 0 H ASN B 14 70.642 -7.427 -4.448 1.00 0.47 H new ATOM 0 HA ASN B 14 73.147 -8.033 -6.002 1.00 0.56 H new ATOM 0 HB2 ASN B 14 70.584 -9.671 -5.707 1.00 0.58 H new ATOM 0 HB3 ASN B 14 71.979 -10.113 -6.670 1.00 0.58 H new ATOM 0 HD21 ASN B 14 74.045 -10.397 -5.405 1.00 0.53 H new ATOM 0 HD22 ASN B 14 73.914 -10.942 -3.730 1.00 0.53 H new ATOM 1425 N PHE B 15 71.522 -7.985 -8.231 1.00 0.63 N ATOM 1426 CA PHE B 15 70.820 -7.384 -9.394 1.00 0.67 C ATOM 1427 C PHE B 15 70.487 -8.458 -10.431 1.00 0.70 C ATOM 1428 O PHE B 15 71.365 -9.099 -10.975 1.00 0.74 O ATOM 1429 CB PHE B 15 71.705 -6.312 -10.050 1.00 0.75 C ATOM 1430 CG PHE B 15 71.977 -5.194 -9.068 1.00 0.74 C ATOM 1431 CD1 PHE B 15 70.890 -4.413 -8.543 1.00 0.80 C ATOM 1432 CD2 PHE B 15 73.324 -4.908 -8.663 1.00 0.83 C ATOM 1433 CE1 PHE B 15 71.152 -3.351 -7.615 1.00 0.80 C ATOM 1434 CE2 PHE B 15 73.585 -3.845 -7.735 1.00 0.83 C ATOM 1435 CZ PHE B 15 72.500 -3.067 -7.211 1.00 0.74 C ATOM 0 H PHE B 15 72.109 -8.792 -8.440 1.00 0.63 H new ATOM 0 HA PHE B 15 69.896 -6.929 -9.036 1.00 0.67 H new ATOM 0 HB2 PHE B 15 72.645 -6.756 -10.378 1.00 0.75 H new ATOM 0 HB3 PHE B 15 71.213 -5.916 -10.938 1.00 0.75 H new ATOM 0 HD1 PHE B 15 69.876 -4.626 -8.847 1.00 0.80 H new ATOM 0 HD2 PHE B 15 74.142 -5.493 -9.057 1.00 0.83 H new ATOM 0 HE1 PHE B 15 70.335 -2.765 -7.220 1.00 0.80 H new ATOM 0 HE2 PHE B 15 74.599 -3.631 -7.431 1.00 0.83 H new ATOM 0 HZ PHE B 15 72.697 -2.267 -6.512 1.00 0.74 H new ATOM 1445 N THR B 16 69.209 -8.624 -10.747 1.00 0.69 N ATOM 1446 CA THR B 16 68.791 -9.628 -11.821 1.00 0.72 C ATOM 1447 C THR B 16 69.714 -9.449 -13.036 1.00 0.81 C ATOM 1448 O THR B 16 69.641 -8.461 -13.728 1.00 0.89 O ATOM 1449 CB THR B 16 67.290 -9.407 -12.263 1.00 0.74 C ATOM 1450 OG1 THR B 16 67.148 -9.679 -13.655 1.00 0.81 O ATOM 1451 CG2 THR B 16 66.842 -7.968 -11.990 1.00 0.75 C ATOM 0 H THR B 16 68.438 -8.115 -10.315 1.00 0.69 H new ATOM 0 HA THR B 16 68.874 -10.636 -11.415 1.00 0.72 H new ATOM 0 HB THR B 16 66.667 -10.088 -11.683 1.00 0.74 H new ATOM 0 HG1 THR B 16 67.066 -8.835 -14.147 1.00 0.81 H new ATOM 0 HG21 THR B 16 65.806 -7.844 -12.304 1.00 0.75 H new ATOM 0 HG22 THR B 16 66.926 -7.757 -10.924 1.00 0.75 H new ATOM 0 HG23 THR B 16 67.475 -7.278 -12.548 1.00 0.75 H new ATOM 1459 N ASN B 17 70.608 -10.366 -13.269 1.00 0.82 N ATOM 1460 CA ASN B 17 71.535 -10.200 -14.420 1.00 0.92 C ATOM 1461 C ASN B 17 71.099 -11.095 -15.575 1.00 0.95 C ATOM 1462 O ASN B 17 71.853 -11.350 -16.493 1.00 1.04 O ATOM 1463 CB ASN B 17 72.959 -10.561 -13.993 1.00 0.95 C ATOM 1464 CG ASN B 17 73.931 -10.231 -15.127 1.00 1.57 C ATOM 1465 OD1 ASN B 17 73.694 -9.325 -15.902 1.00 2.25 O ATOM 1466 ND2 ASN B 17 75.024 -10.932 -15.258 1.00 2.14 N ATOM 0 H ASN B 17 70.737 -11.215 -12.719 1.00 0.82 H new ATOM 0 HA ASN B 17 71.511 -9.161 -14.749 1.00 0.92 H new ATOM 0 HB2 ASN B 17 73.232 -10.008 -13.094 1.00 0.95 H new ATOM 0 HB3 ASN B 17 73.018 -11.621 -13.746 1.00 0.95 H new ATOM 0 HD21 ASN B 17 75.679 -10.720 -16.010 1.00 2.14 H new ATOM 0 HD22 ASN B 17 75.223 -11.692 -14.608 1.00 2.14 H new ATOM 1473 N ARG B 18 69.873 -11.527 -15.570 1.00 0.90 N ATOM 1474 CA ARG B 18 69.376 -12.345 -16.694 1.00 0.94 C ATOM 1475 C ARG B 18 68.391 -11.495 -17.474 1.00 1.01 C ATOM 1476 O ARG B 18 67.572 -10.814 -16.897 1.00 1.08 O ATOM 1477 CB ARG B 18 68.675 -13.594 -16.159 1.00 0.87 C ATOM 1478 CG ARG B 18 69.719 -14.664 -15.831 1.00 1.08 C ATOM 1479 CD ARG B 18 69.090 -15.735 -14.939 1.00 1.25 C ATOM 1480 NE ARG B 18 68.543 -16.835 -15.790 1.00 1.97 N ATOM 1481 CZ ARG B 18 67.705 -17.726 -15.291 1.00 2.47 C ATOM 1482 NH1 ARG B 18 67.328 -17.675 -14.030 1.00 2.89 N ATOM 1483 NH2 ARG B 18 67.243 -18.674 -16.061 1.00 3.05 N ATOM 0 H ARG B 18 69.194 -11.346 -14.831 1.00 0.90 H new ATOM 0 HA ARG B 18 70.200 -12.663 -17.332 1.00 0.94 H new ATOM 0 HB2 ARG B 18 68.099 -13.347 -15.267 1.00 0.87 H new ATOM 0 HB3 ARG B 18 67.970 -13.973 -16.899 1.00 0.87 H new ATOM 0 HG2 ARG B 18 70.094 -15.115 -16.750 1.00 1.08 H new ATOM 0 HG3 ARG B 18 70.573 -14.211 -15.327 1.00 1.08 H new ATOM 0 HD2 ARG B 18 69.834 -16.131 -14.248 1.00 1.25 H new ATOM 0 HD3 ARG B 18 68.295 -15.299 -14.335 1.00 1.25 H new ATOM 0 HE ARG B 18 68.820 -16.899 -16.769 1.00 1.97 H new ATOM 0 HH11 ARG B 18 67.684 -16.938 -13.421 1.00 2.89 H new ATOM 0 HH12 ARG B 18 66.680 -18.372 -13.663 1.00 2.89 H new ATOM 0 HH21 ARG B 18 67.530 -18.722 -17.039 1.00 3.05 H new ATOM 0 HH22 ARG B 18 66.596 -19.367 -15.685 1.00 3.05 H new ATOM 1497 N LYS B 19 68.475 -11.493 -18.775 1.00 1.04 N ATOM 1498 CA LYS B 19 67.542 -10.644 -19.573 1.00 1.11 C ATOM 1499 C LYS B 19 66.101 -10.989 -19.204 1.00 1.07 C ATOM 1500 O LYS B 19 65.504 -11.896 -19.748 1.00 1.09 O ATOM 1501 CB LYS B 19 67.767 -10.887 -21.068 1.00 1.20 C ATOM 1502 CG LYS B 19 69.267 -10.887 -21.368 1.00 1.42 C ATOM 1503 CD LYS B 19 69.489 -10.632 -22.860 1.00 1.39 C ATOM 1504 CE LYS B 19 70.847 -9.960 -23.067 1.00 1.67 C ATOM 1505 NZ LYS B 19 71.367 -10.297 -24.422 1.00 2.07 N ATOM 0 H LYS B 19 69.144 -12.038 -19.319 1.00 1.04 H new ATOM 0 HA LYS B 19 67.731 -9.593 -19.353 1.00 1.11 H new ATOM 0 HB2 LYS B 19 67.327 -11.840 -21.362 1.00 1.20 H new ATOM 0 HB3 LYS B 19 67.269 -10.113 -21.652 1.00 1.20 H new ATOM 0 HG2 LYS B 19 69.767 -10.118 -20.779 1.00 1.42 H new ATOM 0 HG3 LYS B 19 69.706 -11.843 -21.082 1.00 1.42 H new ATOM 0 HD2 LYS B 19 69.449 -11.572 -23.410 1.00 1.39 H new ATOM 0 HD3 LYS B 19 68.694 -9.998 -23.254 1.00 1.39 H new ATOM 0 HE2 LYS B 19 70.750 -8.879 -22.962 1.00 1.67 H new ATOM 0 HE3 LYS B 19 71.550 -10.293 -22.303 1.00 1.67 H new ATOM 0 HZ1 LYS B 19 72.291 -9.840 -24.563 1.00 2.07 H new ATOM 0 HZ2 LYS B 19 71.474 -11.328 -24.506 1.00 2.07 H new ATOM 0 HZ3 LYS B 19 70.699 -9.958 -25.144 1.00 2.07 H new ATOM 1519 N ILE B 20 65.546 -10.267 -18.278 1.00 1.06 N ATOM 1520 CA ILE B 20 64.181 -10.522 -17.859 1.00 1.04 C ATOM 1521 C ILE B 20 63.255 -9.937 -18.902 1.00 1.13 C ATOM 1522 O ILE B 20 63.304 -8.768 -19.231 1.00 1.21 O ATOM 1523 CB ILE B 20 63.952 -9.907 -16.433 1.00 0.99 C ATOM 1524 CG1 ILE B 20 64.244 -11.003 -15.388 1.00 0.91 C ATOM 1525 CG2 ILE B 20 62.497 -9.375 -16.233 1.00 1.00 C ATOM 1526 CD1 ILE B 20 63.867 -10.507 -13.994 1.00 0.83 C ATOM 0 H ILE B 20 66.007 -9.497 -17.793 1.00 1.06 H new ATOM 0 HA ILE B 20 63.976 -11.590 -17.781 1.00 1.04 H new ATOM 0 HB ILE B 20 64.620 -9.053 -16.318 1.00 0.99 H new ATOM 0 HG12 ILE B 20 63.680 -11.905 -15.627 1.00 0.91 H new ATOM 0 HG13 ILE B 20 65.300 -11.271 -15.415 1.00 0.91 H new ATOM 0 HG21 ILE B 20 62.396 -8.961 -15.230 1.00 1.00 H new ATOM 0 HG22 ILE B 20 62.289 -8.598 -16.969 1.00 1.00 H new ATOM 0 HG23 ILE B 20 61.789 -10.194 -16.361 1.00 1.00 H new ATOM 0 HD11 ILE B 20 64.076 -11.287 -13.262 1.00 0.83 H new ATOM 0 HD12 ILE B 20 64.450 -9.618 -13.754 1.00 0.83 H new ATOM 0 HD13 ILE B 20 62.805 -10.262 -13.970 1.00 0.83 H new ATOM 1538 N SER B 21 62.414 -10.750 -19.390 1.00 1.12 N ATOM 1539 CA SER B 21 61.410 -10.333 -20.407 1.00 1.21 C ATOM 1540 C SER B 21 60.766 -8.988 -20.024 1.00 1.27 C ATOM 1541 O SER B 21 60.230 -8.832 -18.946 1.00 1.24 O ATOM 1542 CB SER B 21 60.330 -11.397 -20.447 1.00 1.19 C ATOM 1543 OG SER B 21 59.915 -11.609 -21.790 1.00 1.24 O ATOM 0 H SER B 21 62.361 -11.735 -19.129 1.00 1.12 H new ATOM 0 HA SER B 21 61.897 -10.217 -21.375 1.00 1.21 H new ATOM 0 HB2 SER B 21 60.707 -12.327 -20.022 1.00 1.19 H new ATOM 0 HB3 SER B 21 59.480 -11.089 -19.838 1.00 1.19 H new ATOM 0 HG SER B 21 59.219 -12.298 -21.812 1.00 1.24 H new ATOM 1549 N VAL B 22 60.805 -8.023 -20.905 1.00 1.38 N ATOM 1550 CA VAL B 22 60.186 -6.716 -20.601 1.00 1.46 C ATOM 1551 C VAL B 22 58.710 -6.925 -20.215 1.00 1.46 C ATOM 1552 O VAL B 22 58.105 -6.101 -19.559 1.00 1.50 O ATOM 1553 CB VAL B 22 60.277 -5.812 -21.832 1.00 1.60 C ATOM 1554 CG1 VAL B 22 59.570 -6.482 -23.011 1.00 1.52 C ATOM 1555 CG2 VAL B 22 59.604 -4.472 -21.530 1.00 1.82 C ATOM 0 H VAL B 22 61.243 -8.092 -21.824 1.00 1.38 H new ATOM 0 HA VAL B 22 60.712 -6.246 -19.770 1.00 1.46 H new ATOM 0 HB VAL B 22 61.324 -5.645 -22.084 1.00 1.60 H new ATOM 0 HG11 VAL B 22 59.635 -5.838 -23.888 1.00 1.52 H new ATOM 0 HG12 VAL B 22 60.048 -7.438 -23.227 1.00 1.52 H new ATOM 0 HG13 VAL B 22 58.522 -6.649 -22.760 1.00 1.52 H new ATOM 0 HG21 VAL B 22 59.668 -3.827 -22.406 1.00 1.82 H new ATOM 0 HG22 VAL B 22 58.557 -4.639 -21.279 1.00 1.82 H new ATOM 0 HG23 VAL B 22 60.107 -3.993 -20.690 1.00 1.82 H new ATOM 1565 N GLN B 23 58.141 -8.037 -20.607 1.00 1.43 N ATOM 1566 CA GLN B 23 56.763 -8.330 -20.273 1.00 1.46 C ATOM 1567 C GLN B 23 56.691 -8.528 -18.777 1.00 1.36 C ATOM 1568 O GLN B 23 55.841 -7.993 -18.092 1.00 1.42 O ATOM 1569 CB GLN B 23 56.337 -9.606 -21.081 1.00 1.45 C ATOM 1570 CG GLN B 23 55.986 -10.847 -20.192 1.00 1.45 C ATOM 1571 CD GLN B 23 55.157 -11.842 -21.007 1.00 1.46 C ATOM 1572 OE1 GLN B 23 54.430 -11.456 -21.901 1.00 1.78 O ATOM 1573 NE2 GLN B 23 55.235 -13.116 -20.734 1.00 1.87 N ATOM 0 H GLN B 23 58.608 -8.757 -21.158 1.00 1.43 H new ATOM 0 HA GLN B 23 56.077 -7.526 -20.538 1.00 1.46 H new ATOM 0 HB2 GLN B 23 55.472 -9.359 -21.697 1.00 1.45 H new ATOM 0 HB3 GLN B 23 57.145 -9.878 -21.760 1.00 1.45 H new ATOM 0 HG2 GLN B 23 56.900 -11.324 -19.837 1.00 1.45 H new ATOM 0 HG3 GLN B 23 55.429 -10.530 -19.310 1.00 1.45 H new ATOM 0 HE21 GLN B 23 55.845 -13.440 -19.984 1.00 1.87 H new ATOM 0 HE22 GLN B 23 54.686 -13.787 -21.271 1.00 1.87 H new ATOM 1582 N ARG B 24 57.589 -9.325 -18.273 1.00 1.24 N ATOM 1583 CA ARG B 24 57.607 -9.610 -16.834 1.00 1.16 C ATOM 1584 C ARG B 24 57.667 -8.336 -16.062 1.00 1.16 C ATOM 1585 O ARG B 24 57.163 -8.233 -14.967 1.00 1.24 O ATOM 1586 CB ARG B 24 58.824 -10.448 -16.487 1.00 1.05 C ATOM 1587 CG ARG B 24 58.764 -11.759 -17.236 1.00 1.35 C ATOM 1588 CD ARG B 24 57.716 -12.659 -16.608 1.00 1.13 C ATOM 1589 NE ARG B 24 57.999 -14.082 -16.967 1.00 1.37 N ATOM 1590 CZ ARG B 24 57.085 -15.020 -16.793 1.00 1.62 C ATOM 1591 NH1 ARG B 24 55.900 -14.732 -16.297 1.00 2.08 N ATOM 1592 NH2 ARG B 24 57.362 -16.253 -17.119 1.00 1.88 N ATOM 0 H ARG B 24 58.317 -9.792 -18.814 1.00 1.24 H new ATOM 0 HA ARG B 24 56.698 -10.154 -16.577 1.00 1.16 H new ATOM 0 HB2 ARG B 24 59.735 -9.910 -16.747 1.00 1.05 H new ATOM 0 HB3 ARG B 24 58.858 -10.632 -15.413 1.00 1.05 H new ATOM 0 HG2 ARG B 24 58.523 -11.580 -18.284 1.00 1.35 H new ATOM 0 HG3 ARG B 24 59.738 -12.247 -17.212 1.00 1.35 H new ATOM 0 HD2 ARG B 24 57.720 -12.539 -15.525 1.00 1.13 H new ATOM 0 HD3 ARG B 24 56.723 -12.376 -16.956 1.00 1.13 H new ATOM 0 HE ARG B 24 58.910 -14.332 -17.351 1.00 1.37 H new ATOM 0 HH11 ARG B 24 55.675 -13.771 -16.040 1.00 2.08 H new ATOM 0 HH12 ARG B 24 55.207 -15.470 -16.170 1.00 2.08 H new ATOM 0 HH21 ARG B 24 58.277 -16.485 -17.504 1.00 1.88 H new ATOM 0 HH22 ARG B 24 56.663 -16.984 -16.988 1.00 1.88 H new ATOM 1606 N LEU B 25 58.302 -7.380 -16.615 1.00 1.21 N ATOM 1607 CA LEU B 25 58.467 -6.116 -15.931 1.00 1.20 C ATOM 1608 C LEU B 25 57.188 -5.339 -15.918 1.00 1.29 C ATOM 1609 O LEU B 25 56.883 -4.595 -16.832 1.00 1.48 O ATOM 1610 CB LEU B 25 59.548 -5.322 -16.612 1.00 1.21 C ATOM 1611 CG LEU B 25 60.848 -6.165 -16.645 1.00 1.14 C ATOM 1612 CD1 LEU B 25 61.986 -5.331 -17.188 1.00 1.16 C ATOM 1613 CD2 LEU B 25 61.213 -6.642 -15.233 1.00 1.06 C ATOM 0 H LEU B 25 58.726 -7.427 -17.542 1.00 1.21 H new ATOM 0 HA LEU B 25 58.749 -6.312 -14.896 1.00 1.20 H new ATOM 0 HB2 LEU B 25 59.242 -5.062 -17.625 1.00 1.21 H new ATOM 0 HB3 LEU B 25 59.720 -4.386 -16.080 1.00 1.21 H new ATOM 0 HG LEU B 25 60.681 -7.030 -17.287 1.00 1.14 H new ATOM 0 HD11 LEU B 25 62.897 -5.929 -17.209 1.00 1.16 H new ATOM 0 HD12 LEU B 25 61.745 -5.001 -18.199 1.00 1.16 H new ATOM 0 HD13 LEU B 25 62.137 -4.461 -16.549 1.00 1.16 H new ATOM 0 HD21 LEU B 25 62.128 -7.233 -15.274 1.00 1.06 H new ATOM 0 HD22 LEU B 25 61.367 -5.779 -14.586 1.00 1.06 H new ATOM 0 HD23 LEU B 25 60.404 -7.254 -14.835 1.00 1.06 H new ATOM 1625 N ALA B 26 56.428 -5.506 -14.893 1.00 1.21 N ATOM 1626 CA ALA B 26 55.157 -4.790 -14.806 1.00 1.29 C ATOM 1627 C ALA B 26 55.391 -3.289 -14.589 1.00 1.31 C ATOM 1628 O ALA B 26 54.521 -2.474 -14.824 1.00 1.38 O ATOM 1629 CB ALA B 26 54.346 -5.326 -13.638 1.00 1.28 C ATOM 0 H ALA B 26 56.639 -6.117 -14.104 1.00 1.21 H new ATOM 0 HA ALA B 26 54.619 -4.939 -15.742 1.00 1.29 H new ATOM 0 HB1 ALA B 26 53.399 -4.790 -13.576 1.00 1.28 H new ATOM 0 HB2 ALA B 26 54.153 -6.388 -13.786 1.00 1.28 H new ATOM 0 HB3 ALA B 26 54.904 -5.185 -12.712 1.00 1.28 H new ATOM 1635 N SER B 27 56.538 -2.931 -14.112 1.00 1.24 N ATOM 1636 CA SER B 27 56.827 -1.487 -13.835 1.00 1.26 C ATOM 1637 C SER B 27 58.288 -1.342 -13.404 1.00 1.19 C ATOM 1638 O SER B 27 59.018 -2.311 -13.343 1.00 1.12 O ATOM 1639 CB SER B 27 55.913 -0.989 -12.715 1.00 1.28 C ATOM 1640 OG SER B 27 55.083 0.053 -13.213 1.00 1.90 O ATOM 0 H SER B 27 57.301 -3.572 -13.896 1.00 1.24 H new ATOM 0 HA SER B 27 56.649 -0.898 -14.735 1.00 1.26 H new ATOM 0 HB2 SER B 27 55.301 -1.808 -12.338 1.00 1.28 H new ATOM 0 HB3 SER B 27 56.509 -0.626 -11.878 1.00 1.28 H new ATOM 0 HG SER B 27 54.512 -0.297 -13.929 1.00 1.90 H new ATOM 1646 N TYR B 28 58.742 -0.138 -13.145 1.00 1.20 N ATOM 1647 CA TYR B 28 60.174 0.033 -12.766 1.00 1.14 C ATOM 1648 C TYR B 28 60.317 1.286 -11.837 1.00 1.15 C ATOM 1649 O TYR B 28 59.803 2.347 -12.132 1.00 1.29 O ATOM 1650 CB TYR B 28 60.982 0.130 -14.111 1.00 1.17 C ATOM 1651 CG TYR B 28 61.780 1.405 -14.284 1.00 1.20 C ATOM 1652 CD1 TYR B 28 63.042 1.555 -13.624 1.00 1.12 C ATOM 1653 CD2 TYR B 28 61.310 2.420 -15.179 1.00 1.35 C ATOM 1654 CE1 TYR B 28 63.835 2.722 -13.853 1.00 1.15 C ATOM 1655 CE2 TYR B 28 62.093 3.595 -15.404 1.00 1.39 C ATOM 1656 CZ TYR B 28 63.363 3.749 -14.744 1.00 1.28 C ATOM 1657 OH TYR B 28 64.126 4.877 -14.967 1.00 1.32 O ATOM 0 H TYR B 28 58.190 0.719 -13.180 1.00 1.20 H new ATOM 0 HA TYR B 28 60.571 -0.802 -12.189 1.00 1.14 H new ATOM 0 HB2 TYR B 28 61.663 -0.719 -14.171 1.00 1.17 H new ATOM 0 HB3 TYR B 28 60.285 0.039 -14.944 1.00 1.17 H new ATOM 0 HD1 TYR B 28 63.395 0.786 -12.953 1.00 1.12 H new ATOM 0 HD2 TYR B 28 60.363 2.298 -15.684 1.00 1.35 H new ATOM 0 HE1 TYR B 28 64.788 2.833 -13.358 1.00 1.15 H new ATOM 0 HE2 TYR B 28 61.732 4.366 -16.068 1.00 1.39 H new ATOM 0 HH TYR B 28 63.902 5.256 -15.843 1.00 1.32 H new ATOM 1667 N ARG B 29 61.001 1.149 -10.719 1.00 1.02 N ATOM 1668 CA ARG B 29 61.158 2.314 -9.780 1.00 1.03 C ATOM 1669 C ARG B 29 62.646 2.544 -9.482 1.00 0.98 C ATOM 1670 O ARG B 29 63.135 2.177 -8.450 1.00 1.12 O ATOM 1671 CB ARG B 29 60.424 2.016 -8.476 1.00 1.02 C ATOM 1672 CG ARG B 29 59.111 2.799 -8.437 1.00 1.28 C ATOM 1673 CD ARG B 29 58.417 2.566 -7.094 1.00 1.42 C ATOM 1674 NE ARG B 29 57.626 3.779 -6.725 1.00 1.76 N ATOM 1675 CZ ARG B 29 57.177 3.948 -5.494 1.00 2.06 C ATOM 1676 NH1 ARG B 29 57.418 3.058 -4.553 1.00 2.41 N ATOM 1677 NH2 ARG B 29 56.485 5.016 -5.204 1.00 2.54 N ATOM 0 H ARG B 29 61.455 0.286 -10.418 1.00 1.02 H new ATOM 0 HA ARG B 29 60.739 3.208 -10.243 1.00 1.03 H new ATOM 0 HB2 ARG B 29 60.225 0.947 -8.395 1.00 1.02 H new ATOM 0 HB3 ARG B 29 61.048 2.289 -7.625 1.00 1.02 H new ATOM 0 HG2 ARG B 29 59.305 3.862 -8.578 1.00 1.28 H new ATOM 0 HG3 ARG B 29 58.462 2.482 -9.253 1.00 1.28 H new ATOM 0 HD2 ARG B 29 57.762 1.697 -7.157 1.00 1.42 H new ATOM 0 HD3 ARG B 29 59.157 2.353 -6.322 1.00 1.42 H new ATOM 0 HE ARG B 29 57.430 4.486 -7.433 1.00 1.76 H new ATOM 0 HH11 ARG B 29 57.960 2.221 -4.769 1.00 2.41 H new ATOM 0 HH12 ARG B 29 57.063 3.206 -3.608 1.00 2.41 H new ATOM 0 HH21 ARG B 29 56.295 5.712 -5.925 1.00 2.54 H new ATOM 0 HH22 ARG B 29 56.134 5.155 -4.256 1.00 2.54 H new ATOM 1691 N ARG B 30 63.355 3.132 -10.399 1.00 0.97 N ATOM 1692 CA ARG B 30 64.836 3.364 -10.222 1.00 0.94 C ATOM 1693 C ARG B 30 65.205 3.820 -8.791 1.00 0.88 C ATOM 1694 O ARG B 30 65.025 4.966 -8.430 1.00 0.93 O ATOM 1695 CB ARG B 30 65.291 4.436 -11.212 1.00 1.03 C ATOM 1696 CG ARG B 30 66.785 4.268 -11.495 1.00 1.06 C ATOM 1697 CD ARG B 30 67.123 4.896 -12.849 1.00 1.21 C ATOM 1698 NE ARG B 30 68.509 5.456 -12.807 1.00 1.62 N ATOM 1699 CZ ARG B 30 68.931 6.295 -13.736 1.00 1.86 C ATOM 1700 NH1 ARG B 30 68.144 6.666 -14.725 1.00 2.16 N ATOM 1701 NH2 ARG B 30 70.147 6.765 -13.673 1.00 2.24 N ATOM 0 H ARG B 30 62.976 3.472 -11.283 1.00 0.97 H new ATOM 0 HA ARG B 30 65.338 2.413 -10.403 1.00 0.94 H new ATOM 0 HB2 ARG B 30 64.723 4.355 -12.139 1.00 1.03 H new ATOM 0 HB3 ARG B 30 65.096 5.428 -10.805 1.00 1.03 H new ATOM 0 HG2 ARG B 30 67.371 4.741 -10.707 1.00 1.06 H new ATOM 0 HG3 ARG B 30 67.049 3.210 -11.497 1.00 1.06 H new ATOM 0 HD2 ARG B 30 67.045 4.148 -13.638 1.00 1.21 H new ATOM 0 HD3 ARG B 30 66.408 5.684 -13.085 1.00 1.21 H new ATOM 0 HE ARG B 30 69.137 5.186 -12.050 1.00 1.62 H new ATOM 0 HH11 ARG B 30 67.192 6.305 -14.782 1.00 2.16 H new ATOM 0 HH12 ARG B 30 68.487 7.315 -15.434 1.00 2.16 H new ATOM 0 HH21 ARG B 30 70.764 6.484 -12.911 1.00 2.24 H new ATOM 0 HH22 ARG B 30 70.481 7.413 -14.386 1.00 2.24 H new ATOM 1715 N ILE B 31 65.811 2.940 -8.009 1.00 0.80 N ATOM 1716 CA ILE B 31 66.293 3.346 -6.647 1.00 0.75 C ATOM 1717 C ILE B 31 67.498 4.292 -6.840 1.00 0.78 C ATOM 1718 O ILE B 31 68.157 4.265 -7.855 1.00 0.97 O ATOM 1719 CB ILE B 31 66.711 2.055 -5.819 1.00 0.69 C ATOM 1720 CG1 ILE B 31 65.482 1.537 -5.041 1.00 0.71 C ATOM 1721 CG2 ILE B 31 67.853 2.360 -4.795 1.00 0.66 C ATOM 1722 CD1 ILE B 31 65.881 0.332 -4.163 1.00 0.55 C ATOM 0 H ILE B 31 65.989 1.967 -8.258 1.00 0.80 H new ATOM 0 HA ILE B 31 65.507 3.857 -6.090 1.00 0.75 H new ATOM 0 HB ILE B 31 67.076 1.310 -6.526 1.00 0.69 H new ATOM 0 HG12 ILE B 31 65.075 2.333 -4.417 1.00 0.71 H new ATOM 0 HG13 ILE B 31 64.697 1.245 -5.738 1.00 0.71 H new ATOM 0 HG21 ILE B 31 68.107 1.450 -4.251 1.00 0.66 H new ATOM 0 HG22 ILE B 31 68.732 2.722 -5.328 1.00 0.66 H new ATOM 0 HG23 ILE B 31 67.517 3.121 -4.091 1.00 0.66 H new ATOM 0 HD11 ILE B 31 65.008 -0.026 -3.618 1.00 0.55 H new ATOM 0 HD12 ILE B 31 66.267 -0.467 -4.796 1.00 0.55 H new ATOM 0 HD13 ILE B 31 66.651 0.637 -3.454 1.00 0.55 H new ATOM 1734 N THR B 32 67.806 5.075 -5.839 1.00 0.69 N ATOM 1735 CA THR B 32 68.990 5.985 -5.916 1.00 0.73 C ATOM 1736 C THR B 32 69.010 6.896 -4.690 1.00 0.71 C ATOM 1737 O THR B 32 69.344 8.061 -4.774 1.00 0.83 O ATOM 1738 CB THR B 32 68.929 6.835 -7.180 1.00 0.81 C ATOM 1739 OG1 THR B 32 67.600 6.859 -7.679 1.00 0.95 O ATOM 1740 CG2 THR B 32 69.874 6.255 -8.229 1.00 0.86 C ATOM 0 H THR B 32 67.284 5.124 -4.964 1.00 0.69 H new ATOM 0 HA THR B 32 69.897 5.381 -5.944 1.00 0.73 H new ATOM 0 HB THR B 32 69.236 7.855 -6.948 1.00 0.81 H new ATOM 0 HG1 THR B 32 67.565 7.407 -8.491 1.00 0.95 H new ATOM 0 HG21 THR B 32 69.831 6.862 -9.133 1.00 0.86 H new ATOM 0 HG22 THR B 32 70.892 6.254 -7.841 1.00 0.86 H new ATOM 0 HG23 THR B 32 69.574 5.234 -8.463 1.00 0.86 H new ATOM 1748 N SER B 33 68.672 6.371 -3.546 1.00 0.72 N ATOM 1749 CA SER B 33 68.691 7.203 -2.316 1.00 0.72 C ATOM 1750 C SER B 33 70.142 7.566 -1.985 1.00 0.80 C ATOM 1751 O SER B 33 71.058 6.827 -2.285 1.00 1.31 O ATOM 1752 CB SER B 33 68.074 6.415 -1.157 1.00 0.64 C ATOM 1753 OG SER B 33 68.441 7.022 0.075 1.00 0.69 O ATOM 0 H SER B 33 68.384 5.402 -3.412 1.00 0.72 H new ATOM 0 HA SER B 33 68.113 8.114 -2.473 1.00 0.72 H new ATOM 0 HB2 SER B 33 66.989 6.393 -1.255 1.00 0.64 H new ATOM 0 HB3 SER B 33 68.418 5.381 -1.182 1.00 0.64 H new ATOM 0 HG SER B 33 67.674 7.014 0.685 1.00 0.69 H new ATOM 1759 N SER B 34 70.361 8.702 -1.385 1.00 0.86 N ATOM 1760 CA SER B 34 71.757 9.110 -1.049 1.00 0.85 C ATOM 1761 C SER B 34 72.357 8.146 -0.009 1.00 0.68 C ATOM 1762 O SER B 34 73.545 8.160 0.243 1.00 0.75 O ATOM 1763 CB SER B 34 71.747 10.529 -0.479 1.00 1.11 C ATOM 1764 OG SER B 34 72.630 11.347 -1.236 1.00 1.61 O ATOM 0 H SER B 34 69.636 9.366 -1.112 1.00 0.86 H new ATOM 0 HA SER B 34 72.364 9.079 -1.954 1.00 0.85 H new ATOM 0 HB2 SER B 34 70.737 10.938 -0.510 1.00 1.11 H new ATOM 0 HB3 SER B 34 72.053 10.515 0.567 1.00 1.11 H new ATOM 0 HG SER B 34 72.624 12.258 -0.874 1.00 1.61 H new ATOM 1770 N LYS B 35 71.547 7.320 0.605 1.00 0.62 N ATOM 1771 CA LYS B 35 72.079 6.378 1.629 1.00 0.61 C ATOM 1772 C LYS B 35 72.281 4.972 1.020 1.00 0.55 C ATOM 1773 O LYS B 35 72.915 4.123 1.612 1.00 0.59 O ATOM 1774 CB LYS B 35 71.092 6.312 2.815 1.00 0.85 C ATOM 1775 CG LYS B 35 71.787 6.742 4.129 1.00 0.43 C ATOM 1776 CD LYS B 35 73.108 5.975 4.312 1.00 1.42 C ATOM 1777 CE LYS B 35 73.406 5.820 5.805 1.00 1.64 C ATOM 1778 NZ LYS B 35 74.366 6.877 6.232 1.00 2.12 N ATOM 0 H LYS B 35 70.542 7.259 0.440 1.00 0.62 H new ATOM 0 HA LYS B 35 73.047 6.736 1.980 1.00 0.61 H new ATOM 0 HB2 LYS B 35 70.238 6.961 2.620 1.00 0.85 H new ATOM 0 HB3 LYS B 35 70.706 5.298 2.917 1.00 0.85 H new ATOM 0 HG2 LYS B 35 71.981 7.814 4.111 1.00 0.43 H new ATOM 0 HG3 LYS B 35 71.128 6.551 4.976 1.00 0.43 H new ATOM 0 HD2 LYS B 35 73.040 4.995 3.840 1.00 1.42 H new ATOM 0 HD3 LYS B 35 73.922 6.509 3.821 1.00 1.42 H new ATOM 0 HE2 LYS B 35 72.484 5.897 6.381 1.00 1.64 H new ATOM 0 HE3 LYS B 35 73.824 4.833 6.003 1.00 1.64 H new ATOM 0 HZ1 LYS B 35 74.569 6.772 7.247 1.00 2.12 H new ATOM 0 HZ2 LYS B 35 75.249 6.783 5.691 1.00 2.12 H new ATOM 0 HZ3 LYS B 35 73.951 7.814 6.057 1.00 2.12 H new ATOM 1792 N CYS B 36 71.760 4.722 -0.159 1.00 0.52 N ATOM 1793 CA CYS B 36 71.938 3.364 -0.778 1.00 0.50 C ATOM 1794 C CYS B 36 73.363 3.214 -1.350 1.00 0.62 C ATOM 1795 O CYS B 36 73.778 4.015 -2.165 1.00 0.69 O ATOM 1796 CB CYS B 36 70.916 3.159 -1.909 1.00 0.47 C ATOM 1797 SG CYS B 36 69.251 2.922 -1.213 1.00 0.38 S ATOM 0 H CYS B 36 71.225 5.389 -0.715 1.00 0.52 H new ATOM 0 HA CYS B 36 71.781 2.613 -0.004 1.00 0.50 H new ATOM 0 HB2 CYS B 36 70.921 4.022 -2.575 1.00 0.47 H new ATOM 0 HB3 CYS B 36 71.195 2.292 -2.509 1.00 0.47 H new ATOM 1802 N PRO B 37 74.082 2.156 -0.923 1.00 0.65 N ATOM 1803 CA PRO B 37 75.419 1.900 -1.418 1.00 0.77 C ATOM 1804 C PRO B 37 75.441 1.804 -2.936 1.00 0.81 C ATOM 1805 O PRO B 37 76.485 1.890 -3.557 1.00 0.89 O ATOM 1806 CB PRO B 37 75.803 0.540 -0.818 1.00 0.81 C ATOM 1807 CG PRO B 37 74.687 0.111 0.162 1.00 0.70 C ATOM 1808 CD PRO B 37 73.603 1.170 0.083 1.00 0.60 C ATOM 0 HA PRO B 37 76.103 2.702 -1.142 1.00 0.77 H new ATOM 0 HB2 PRO B 37 75.923 -0.203 -1.606 1.00 0.81 H new ATOM 0 HB3 PRO B 37 76.759 0.610 -0.298 1.00 0.81 H new ATOM 0 HG2 PRO B 37 74.291 -0.868 -0.108 1.00 0.70 H new ATOM 0 HG3 PRO B 37 75.075 0.030 1.178 1.00 0.70 H new ATOM 0 HD2 PRO B 37 72.650 0.734 -0.218 1.00 0.60 H new ATOM 0 HD3 PRO B 37 73.446 1.643 1.052 1.00 0.60 H new ATOM 1816 N LYS B 38 74.322 1.560 -3.529 1.00 0.75 N ATOM 1817 CA LYS B 38 74.288 1.381 -4.978 1.00 0.79 C ATOM 1818 C LYS B 38 72.947 1.819 -5.570 1.00 0.76 C ATOM 1819 O LYS B 38 71.899 1.615 -4.991 1.00 0.72 O ATOM 1820 CB LYS B 38 74.508 -0.100 -5.291 1.00 0.80 C ATOM 1821 CG LYS B 38 76.004 -0.384 -5.420 1.00 0.94 C ATOM 1822 CD LYS B 38 76.256 -1.244 -6.659 1.00 1.36 C ATOM 1823 CE LYS B 38 77.740 -1.604 -6.738 1.00 1.72 C ATOM 1824 NZ LYS B 38 77.968 -2.921 -6.078 1.00 2.00 N ATOM 0 H LYS B 38 73.420 1.477 -3.060 1.00 0.75 H new ATOM 0 HA LYS B 38 75.070 1.998 -5.420 1.00 0.79 H new ATOM 0 HB2 LYS B 38 74.078 -0.716 -4.501 1.00 0.80 H new ATOM 0 HB3 LYS B 38 73.997 -0.366 -6.216 1.00 0.80 H new ATOM 0 HG2 LYS B 38 76.557 0.552 -5.496 1.00 0.94 H new ATOM 0 HG3 LYS B 38 76.366 -0.897 -4.529 1.00 0.94 H new ATOM 0 HD2 LYS B 38 75.653 -2.151 -6.614 1.00 1.36 H new ATOM 0 HD3 LYS B 38 75.954 -0.705 -7.557 1.00 1.36 H new ATOM 0 HE2 LYS B 38 78.060 -1.647 -7.779 1.00 1.72 H new ATOM 0 HE3 LYS B 38 78.338 -0.833 -6.252 1.00 1.72 H new ATOM 0 HZ1 LYS B 38 78.977 -3.166 -6.132 1.00 2.00 H new ATOM 0 HZ2 LYS B 38 77.678 -2.864 -5.081 1.00 2.00 H new ATOM 0 HZ3 LYS B 38 77.408 -3.653 -6.560 1.00 2.00 H new ATOM 1838 N GLU B 39 72.976 2.345 -6.769 1.00 0.80 N ATOM 1839 CA GLU B 39 71.713 2.713 -7.464 1.00 0.80 C ATOM 1840 C GLU B 39 71.146 1.435 -8.088 1.00 0.79 C ATOM 1841 O GLU B 39 71.796 0.406 -8.080 1.00 0.81 O ATOM 1842 CB GLU B 39 72.014 3.732 -8.565 1.00 0.89 C ATOM 1843 CG GLU B 39 72.627 4.989 -7.944 1.00 1.41 C ATOM 1844 CD GLU B 39 72.923 6.010 -9.044 1.00 1.69 C ATOM 1845 OE1 GLU B 39 73.110 5.595 -10.176 1.00 1.73 O ATOM 1846 OE2 GLU B 39 72.958 7.190 -8.736 1.00 2.30 O ATOM 0 H GLU B 39 73.828 2.535 -7.296 1.00 0.80 H new ATOM 0 HA GLU B 39 71.000 3.153 -6.767 1.00 0.80 H new ATOM 0 HB2 GLU B 39 72.700 3.302 -9.295 1.00 0.89 H new ATOM 0 HB3 GLU B 39 71.099 3.987 -9.099 1.00 0.89 H new ATOM 0 HG2 GLU B 39 71.942 5.416 -7.211 1.00 1.41 H new ATOM 0 HG3 GLU B 39 73.544 4.735 -7.413 1.00 1.41 H new ATOM 1853 N ALA B 40 69.949 1.466 -8.615 1.00 0.78 N ATOM 1854 CA ALA B 40 69.388 0.215 -9.210 1.00 0.78 C ATOM 1855 C ALA B 40 68.043 0.492 -9.870 1.00 0.81 C ATOM 1856 O ALA B 40 67.520 1.581 -9.810 1.00 0.83 O ATOM 1857 CB ALA B 40 69.180 -0.805 -8.091 1.00 0.70 C ATOM 0 H ALA B 40 69.345 2.287 -8.660 1.00 0.78 H new ATOM 0 HA ALA B 40 70.081 -0.164 -9.961 1.00 0.78 H new ATOM 0 HB1 ALA B 40 68.771 -1.725 -8.509 1.00 0.70 H new ATOM 0 HB2 ALA B 40 70.135 -1.018 -7.611 1.00 0.70 H new ATOM 0 HB3 ALA B 40 68.486 -0.401 -7.354 1.00 0.70 H new ATOM 1863 N VAL B 41 67.452 -0.520 -10.443 1.00 0.83 N ATOM 1864 CA VAL B 41 66.097 -0.365 -11.030 1.00 0.88 C ATOM 1865 C VAL B 41 65.183 -1.290 -10.287 1.00 0.82 C ATOM 1866 O VAL B 41 65.423 -2.478 -10.230 1.00 0.77 O ATOM 1867 CB VAL B 41 66.094 -0.721 -12.559 1.00 0.94 C ATOM 1868 CG1 VAL B 41 64.716 -1.318 -13.025 1.00 0.95 C ATOM 1869 CG2 VAL B 41 66.334 0.542 -13.328 1.00 1.04 C ATOM 0 H VAL B 41 67.855 -1.453 -10.529 1.00 0.83 H new ATOM 0 HA VAL B 41 65.769 0.671 -10.940 1.00 0.88 H new ATOM 0 HB VAL B 41 66.867 -1.468 -12.737 1.00 0.94 H new ATOM 0 HG11 VAL B 41 64.761 -1.549 -14.089 1.00 0.95 H new ATOM 0 HG12 VAL B 41 64.506 -2.229 -12.464 1.00 0.95 H new ATOM 0 HG13 VAL B 41 63.925 -0.590 -12.845 1.00 0.95 H new ATOM 0 HG21 VAL B 41 66.337 0.323 -14.396 1.00 1.04 H new ATOM 0 HG22 VAL B 41 65.543 1.259 -13.107 1.00 1.04 H new ATOM 0 HG23 VAL B 41 67.297 0.965 -13.042 1.00 1.04 H new ATOM 1879 N ILE B 42 64.098 -0.794 -9.813 1.00 0.86 N ATOM 1880 CA ILE B 42 63.158 -1.684 -9.162 1.00 0.82 C ATOM 1881 C ILE B 42 62.186 -2.230 -10.184 1.00 0.87 C ATOM 1882 O ILE B 42 61.039 -1.853 -10.222 1.00 0.92 O ATOM 1883 CB ILE B 42 62.414 -0.969 -8.090 1.00 0.85 C ATOM 1884 CG1 ILE B 42 63.418 -0.194 -7.207 1.00 0.89 C ATOM 1885 CG2 ILE B 42 61.661 -2.017 -7.285 1.00 0.80 C ATOM 1886 CD1 ILE B 42 64.250 -1.152 -6.378 1.00 1.03 C ATOM 0 H ILE B 42 63.828 0.189 -9.852 1.00 0.86 H new ATOM 0 HA ILE B 42 63.712 -2.506 -8.709 1.00 0.82 H new ATOM 0 HB ILE B 42 61.707 -0.248 -8.500 1.00 0.85 H new ATOM 0 HG12 ILE B 42 64.070 0.413 -7.835 1.00 0.89 H new ATOM 0 HG13 ILE B 42 62.880 0.491 -6.551 1.00 0.89 H new ATOM 0 HG21 ILE B 42 61.101 -1.530 -6.487 1.00 0.80 H new ATOM 0 HG22 ILE B 42 60.971 -2.551 -7.938 1.00 0.80 H new ATOM 0 HG23 ILE B 42 62.370 -2.722 -6.852 1.00 0.80 H new ATOM 0 HD11 ILE B 42 64.951 -0.587 -5.763 1.00 1.03 H new ATOM 0 HD12 ILE B 42 63.595 -1.740 -5.735 1.00 1.03 H new ATOM 0 HD13 ILE B 42 64.803 -1.819 -7.039 1.00 1.03 H new ATOM 1898 N PHE B 43 62.643 -3.124 -11.006 1.00 0.88 N ATOM 1899 CA PHE B 43 61.763 -3.726 -12.035 1.00 0.94 C ATOM 1900 C PHE B 43 60.601 -4.464 -11.353 1.00 0.93 C ATOM 1901 O PHE B 43 60.680 -5.650 -11.120 1.00 0.88 O ATOM 1902 CB PHE B 43 62.572 -4.742 -12.837 1.00 0.92 C ATOM 1903 CG PHE B 43 63.285 -4.072 -13.992 1.00 0.96 C ATOM 1904 CD1 PHE B 43 62.621 -3.079 -14.801 1.00 1.05 C ATOM 1905 CD2 PHE B 43 64.638 -4.437 -14.283 1.00 0.94 C ATOM 1906 CE1 PHE B 43 63.328 -2.462 -15.896 1.00 1.10 C ATOM 1907 CE2 PHE B 43 65.330 -3.819 -15.374 1.00 1.00 C ATOM 1908 CZ PHE B 43 64.674 -2.834 -16.177 1.00 1.07 C ATOM 0 H PHE B 43 63.603 -3.468 -11.008 1.00 0.88 H new ATOM 0 HA PHE B 43 61.374 -2.942 -12.685 1.00 0.94 H new ATOM 0 HB2 PHE B 43 63.300 -5.228 -12.187 1.00 0.92 H new ATOM 0 HB3 PHE B 43 61.911 -5.522 -13.215 1.00 0.92 H new ATOM 0 HD1 PHE B 43 61.600 -2.799 -14.588 1.00 1.05 H new ATOM 0 HD2 PHE B 43 65.138 -5.180 -13.679 1.00 0.94 H new ATOM 0 HE1 PHE B 43 62.836 -1.717 -16.504 1.00 1.10 H new ATOM 0 HE2 PHE B 43 66.351 -4.098 -15.591 1.00 1.00 H new ATOM 0 HZ PHE B 43 65.200 -2.371 -16.999 1.00 1.07 H new ATOM 1918 N LYS B 44 59.514 -3.795 -11.053 1.00 1.00 N ATOM 1919 CA LYS B 44 58.376 -4.513 -10.410 1.00 1.01 C ATOM 1920 C LYS B 44 57.853 -5.521 -11.399 1.00 1.05 C ATOM 1921 O LYS B 44 57.169 -5.172 -12.327 1.00 1.14 O ATOM 1922 CB LYS B 44 57.252 -3.526 -10.057 1.00 1.09 C ATOM 1923 CG LYS B 44 57.016 -3.539 -8.546 1.00 1.09 C ATOM 1924 CD LYS B 44 55.512 -3.519 -8.264 1.00 1.19 C ATOM 1925 CE LYS B 44 55.265 -2.986 -6.852 1.00 1.84 C ATOM 1926 NZ LYS B 44 54.054 -2.118 -6.854 1.00 2.17 N ATOM 0 H LYS B 44 59.369 -2.800 -11.223 1.00 1.00 H new ATOM 0 HA LYS B 44 58.713 -4.998 -9.494 1.00 1.01 H new ATOM 0 HB2 LYS B 44 57.520 -2.522 -10.385 1.00 1.09 H new ATOM 0 HB3 LYS B 44 56.336 -3.799 -10.581 1.00 1.09 H new ATOM 0 HG2 LYS B 44 57.468 -4.427 -8.104 1.00 1.09 H new ATOM 0 HG3 LYS B 44 57.495 -2.675 -8.085 1.00 1.09 H new ATOM 0 HD2 LYS B 44 55.002 -2.892 -8.995 1.00 1.19 H new ATOM 0 HD3 LYS B 44 55.099 -4.523 -8.363 1.00 1.19 H new ATOM 0 HE2 LYS B 44 55.130 -3.815 -6.157 1.00 1.84 H new ATOM 0 HE3 LYS B 44 56.131 -2.420 -6.509 1.00 1.84 H new ATOM 0 HZ1 LYS B 44 53.885 -1.755 -5.894 1.00 2.17 H new ATOM 0 HZ2 LYS B 44 54.200 -1.320 -7.505 1.00 2.17 H new ATOM 0 HZ3 LYS B 44 53.230 -2.672 -7.164 1.00 2.17 H new ATOM 1940 N THR B 45 58.200 -6.761 -11.238 1.00 1.00 N ATOM 1941 CA THR B 45 57.750 -7.782 -12.210 1.00 1.04 C ATOM 1942 C THR B 45 56.192 -7.832 -12.238 1.00 1.13 C ATOM 1943 O THR B 45 55.537 -6.893 -11.847 1.00 1.18 O ATOM 1944 CB THR B 45 58.363 -9.127 -11.831 1.00 0.97 C ATOM 1945 OG1 THR B 45 58.379 -9.272 -10.431 1.00 0.96 O ATOM 1946 CG2 THR B 45 59.782 -9.159 -12.359 1.00 0.93 C ATOM 0 H THR B 45 58.777 -7.111 -10.473 1.00 1.00 H new ATOM 0 HA THR B 45 58.083 -7.528 -13.216 1.00 1.04 H new ATOM 0 HB THR B 45 57.776 -9.940 -12.258 1.00 0.97 H new ATOM 0 HG1 THR B 45 59.204 -8.883 -10.071 1.00 0.96 H new ATOM 0 HG21 THR B 45 60.245 -10.112 -12.101 1.00 0.93 H new ATOM 0 HG22 THR B 45 59.770 -9.043 -13.443 1.00 0.93 H new ATOM 0 HG23 THR B 45 60.354 -8.345 -11.913 1.00 0.93 H new ATOM 1954 N ILE B 46 55.603 -8.921 -12.673 1.00 1.15 N ATOM 1955 CA ILE B 46 54.111 -9.010 -12.719 1.00 1.24 C ATOM 1956 C ILE B 46 53.615 -9.563 -11.445 1.00 1.21 C ATOM 1957 O ILE B 46 52.514 -9.265 -11.009 1.00 1.28 O ATOM 1958 CB ILE B 46 53.651 -9.949 -13.843 1.00 1.29 C ATOM 1959 CG1 ILE B 46 54.488 -11.282 -13.814 1.00 1.22 C ATOM 1960 CG2 ILE B 46 53.765 -9.233 -15.222 1.00 1.35 C ATOM 1961 CD1 ILE B 46 55.746 -11.192 -14.698 1.00 1.19 C ATOM 0 H ILE B 46 56.094 -9.754 -12.999 1.00 1.15 H new ATOM 0 HA ILE B 46 53.720 -8.008 -12.895 1.00 1.24 H new ATOM 0 HB ILE B 46 52.604 -10.209 -13.687 1.00 1.29 H new ATOM 0 HG12 ILE B 46 54.781 -11.504 -12.788 1.00 1.22 H new ATOM 0 HG13 ILE B 46 53.865 -12.109 -14.154 1.00 1.22 H new ATOM 0 HG21 ILE B 46 53.436 -9.909 -16.011 1.00 1.35 H new ATOM 0 HG22 ILE B 46 53.137 -8.342 -15.222 1.00 1.35 H new ATOM 0 HG23 ILE B 46 54.802 -8.946 -15.399 1.00 1.35 H new ATOM 0 HD11 ILE B 46 56.294 -12.133 -14.648 1.00 1.19 H new ATOM 0 HD12 ILE B 46 55.453 -10.997 -15.729 1.00 1.19 H new ATOM 0 HD13 ILE B 46 56.383 -10.382 -14.343 1.00 1.19 H new ATOM 1973 N VAL B 47 54.413 -10.345 -10.812 1.00 1.13 N ATOM 1974 CA VAL B 47 54.020 -10.895 -9.556 1.00 1.12 C ATOM 1975 C VAL B 47 54.448 -9.939 -8.441 1.00 1.09 C ATOM 1976 O VAL B 47 54.409 -10.275 -7.274 1.00 1.07 O ATOM 1977 CB VAL B 47 54.665 -12.253 -9.432 1.00 1.05 C ATOM 1978 CG1 VAL B 47 56.164 -12.147 -9.108 1.00 0.95 C ATOM 1979 CG2 VAL B 47 53.954 -13.024 -8.377 1.00 1.07 C ATOM 0 H VAL B 47 55.340 -10.621 -11.137 1.00 1.13 H new ATOM 0 HA VAL B 47 52.939 -11.016 -9.480 1.00 1.12 H new ATOM 0 HB VAL B 47 54.585 -12.768 -10.389 1.00 1.05 H new ATOM 0 HG11 VAL B 47 56.590 -13.147 -9.027 1.00 0.95 H new ATOM 0 HG12 VAL B 47 56.670 -11.600 -9.903 1.00 0.95 H new ATOM 0 HG13 VAL B 47 56.296 -11.619 -8.164 1.00 0.95 H new ATOM 0 HG21 VAL B 47 54.410 -14.009 -8.276 1.00 1.07 H new ATOM 0 HG22 VAL B 47 54.025 -12.493 -7.428 1.00 1.07 H new ATOM 0 HG23 VAL B 47 52.905 -13.136 -8.653 1.00 1.07 H new ATOM 1989 N ALA B 48 54.818 -8.702 -8.795 1.00 1.10 N ATOM 1990 CA ALA B 48 55.189 -7.706 -7.782 1.00 1.08 C ATOM 1991 C ALA B 48 56.546 -8.050 -7.174 1.00 0.98 C ATOM 1992 O ALA B 48 56.914 -7.541 -6.134 1.00 0.96 O ATOM 1993 CB ALA B 48 54.117 -7.675 -6.714 1.00 1.13 C ATOM 0 H ALA B 48 54.868 -8.370 -9.758 1.00 1.10 H new ATOM 0 HA ALA B 48 55.269 -6.722 -8.243 1.00 1.08 H new ATOM 0 HB1 ALA B 48 54.381 -6.939 -5.955 1.00 1.13 H new ATOM 0 HB2 ALA B 48 53.162 -7.405 -7.165 1.00 1.13 H new ATOM 0 HB3 ALA B 48 54.035 -8.659 -6.252 1.00 1.13 H new ATOM 1999 N LYS B 49 57.323 -8.867 -7.840 1.00 0.92 N ATOM 2000 CA LYS B 49 58.673 -9.176 -7.316 1.00 0.84 C ATOM 2001 C LYS B 49 59.610 -8.043 -7.699 1.00 0.81 C ATOM 2002 O LYS B 49 60.252 -8.073 -8.730 1.00 0.80 O ATOM 2003 CB LYS B 49 59.171 -10.494 -7.883 1.00 0.81 C ATOM 2004 CG LYS B 49 59.457 -11.478 -6.741 1.00 0.78 C ATOM 2005 CD LYS B 49 59.246 -12.910 -7.236 1.00 0.83 C ATOM 2006 CE LYS B 49 60.210 -13.198 -8.388 1.00 0.93 C ATOM 2007 NZ LYS B 49 59.806 -14.461 -9.069 1.00 1.14 N ATOM 0 H LYS B 49 57.077 -9.327 -8.717 1.00 0.92 H new ATOM 0 HA LYS B 49 58.637 -9.272 -6.231 1.00 0.84 H new ATOM 0 HB2 LYS B 49 58.426 -10.914 -8.559 1.00 0.81 H new ATOM 0 HB3 LYS B 49 60.076 -10.330 -8.468 1.00 0.81 H new ATOM 0 HG2 LYS B 49 60.480 -11.352 -6.386 1.00 0.78 H new ATOM 0 HG3 LYS B 49 58.799 -11.273 -5.897 1.00 0.78 H new ATOM 0 HD2 LYS B 49 59.413 -13.616 -6.422 1.00 0.83 H new ATOM 0 HD3 LYS B 49 58.216 -13.044 -7.567 1.00 0.83 H new ATOM 0 HE2 LYS B 49 60.203 -12.371 -9.098 1.00 0.93 H new ATOM 0 HE3 LYS B 49 61.229 -13.285 -8.011 1.00 0.93 H new ATOM 0 HZ1 LYS B 49 60.461 -14.658 -9.853 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 59.834 -15.247 -8.388 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 58.840 -14.361 -9.442 1.00 1.14 H new ATOM 2021 N GLU B 50 59.682 -7.025 -6.877 1.00 0.81 N ATOM 2022 CA GLU B 50 60.562 -5.867 -7.191 1.00 0.79 C ATOM 2023 C GLU B 50 61.976 -6.371 -7.423 1.00 0.71 C ATOM 2024 O GLU B 50 62.611 -6.891 -6.526 1.00 0.66 O ATOM 2025 CB GLU B 50 60.550 -4.890 -6.015 1.00 0.79 C ATOM 2026 CG GLU B 50 59.244 -4.092 -6.027 1.00 1.08 C ATOM 2027 CD GLU B 50 58.902 -3.650 -4.603 1.00 1.30 C ATOM 2028 OE1 GLU B 50 59.609 -2.804 -4.081 1.00 1.56 O ATOM 2029 OE2 GLU B 50 57.940 -4.166 -4.059 1.00 1.72 O ATOM 0 H GLU B 50 59.166 -6.950 -6.000 1.00 0.81 H new ATOM 0 HA GLU B 50 60.203 -5.358 -8.086 1.00 0.79 H new ATOM 0 HB2 GLU B 50 60.647 -5.434 -5.076 1.00 0.79 H new ATOM 0 HB3 GLU B 50 61.402 -4.214 -6.082 1.00 0.79 H new ATOM 0 HG2 GLU B 50 59.344 -3.221 -6.675 1.00 1.08 H new ATOM 0 HG3 GLU B 50 58.437 -4.701 -6.434 1.00 1.08 H new ATOM 2036 N ILE B 51 62.468 -6.265 -8.626 1.00 0.72 N ATOM 2037 CA ILE B 51 63.838 -6.791 -8.895 1.00 0.66 C ATOM 2038 C ILE B 51 64.810 -5.663 -9.130 1.00 0.66 C ATOM 2039 O ILE B 51 64.806 -5.028 -10.165 1.00 0.74 O ATOM 2040 CB ILE B 51 63.893 -7.704 -10.124 1.00 0.70 C ATOM 2041 CG1 ILE B 51 62.526 -8.243 -10.509 1.00 0.75 C ATOM 2042 CG2 ILE B 51 64.795 -8.884 -9.806 1.00 0.64 C ATOM 2043 CD1 ILE B 51 62.682 -9.020 -11.801 1.00 0.78 C ATOM 0 H ILE B 51 61.991 -5.844 -9.424 1.00 0.72 H new ATOM 0 HA ILE B 51 64.108 -7.366 -8.009 1.00 0.66 H new ATOM 0 HB ILE B 51 64.270 -7.114 -10.959 1.00 0.70 H new ATOM 0 HG12 ILE B 51 62.133 -8.886 -9.721 1.00 0.75 H new ATOM 0 HG13 ILE B 51 61.816 -7.426 -10.638 1.00 0.75 H new ATOM 0 HG21 ILE B 51 64.846 -9.546 -10.670 1.00 0.64 H new ATOM 0 HG22 ILE B 51 65.795 -8.523 -9.565 1.00 0.64 H new ATOM 0 HG23 ILE B 51 64.392 -9.431 -8.954 1.00 0.64 H new ATOM 0 HD11 ILE B 51 61.715 -9.421 -12.104 1.00 0.78 H new ATOM 0 HD12 ILE B 51 63.061 -8.358 -12.580 1.00 0.78 H new ATOM 0 HD13 ILE B 51 63.383 -9.841 -11.650 1.00 0.78 H new ATOM 2055 N CYS B 52 65.718 -5.494 -8.241 1.00 0.59 N ATOM 2056 CA CYS B 52 66.783 -4.515 -8.448 1.00 0.61 C ATOM 2057 C CYS B 52 67.600 -4.982 -9.633 1.00 0.67 C ATOM 2058 O CYS B 52 68.023 -6.099 -9.674 1.00 0.72 O ATOM 2059 CB CYS B 52 67.639 -4.478 -7.216 1.00 0.53 C ATOM 2060 SG CYS B 52 66.714 -3.640 -5.911 1.00 0.52 S ATOM 0 H CYS B 52 65.768 -6.005 -7.360 1.00 0.59 H new ATOM 0 HA CYS B 52 66.384 -3.518 -8.636 1.00 0.61 H new ATOM 0 HB2 CYS B 52 67.903 -5.489 -6.906 1.00 0.53 H new ATOM 0 HB3 CYS B 52 68.573 -3.953 -7.417 1.00 0.53 H new ATOM 2065 N ALA B 53 67.789 -4.161 -10.602 1.00 0.72 N ATOM 2066 CA ALA B 53 68.562 -4.594 -11.804 1.00 0.79 C ATOM 2067 C ALA B 53 69.622 -3.544 -12.121 1.00 0.84 C ATOM 2068 O ALA B 53 69.389 -2.360 -12.002 1.00 0.86 O ATOM 2069 CB ALA B 53 67.616 -4.770 -13.000 1.00 0.86 C ATOM 0 H ALA B 53 67.446 -3.201 -10.628 1.00 0.72 H new ATOM 0 HA ALA B 53 69.047 -5.549 -11.603 1.00 0.79 H new ATOM 0 HB1 ALA B 53 68.188 -5.086 -13.873 1.00 0.86 H new ATOM 0 HB2 ALA B 53 66.867 -5.526 -12.764 1.00 0.86 H new ATOM 0 HB3 ALA B 53 67.120 -3.823 -13.214 1.00 0.86 H new ATOM 2075 N ASP B 54 70.792 -3.970 -12.503 1.00 0.87 N ATOM 2076 CA ASP B 54 71.881 -2.998 -12.803 1.00 0.93 C ATOM 2077 C ASP B 54 71.461 -2.093 -13.996 1.00 1.01 C ATOM 2078 O ASP B 54 71.342 -2.579 -15.102 1.00 1.06 O ATOM 2079 CB ASP B 54 73.150 -3.773 -13.171 1.00 0.98 C ATOM 2080 CG ASP B 54 74.262 -2.790 -13.547 1.00 1.07 C ATOM 2081 OD1 ASP B 54 74.390 -1.784 -12.869 1.00 0.97 O ATOM 2082 OD2 ASP B 54 74.966 -3.061 -14.506 1.00 1.30 O ATOM 0 H ASP B 54 71.043 -4.952 -12.621 1.00 0.87 H new ATOM 0 HA ASP B 54 72.068 -2.373 -11.929 1.00 0.93 H new ATOM 0 HB2 ASP B 54 73.467 -4.392 -12.331 1.00 0.98 H new ATOM 0 HB3 ASP B 54 72.948 -4.446 -14.005 1.00 0.98 H new ATOM 2087 N PRO B 55 71.250 -0.787 -13.747 1.00 1.03 N ATOM 2088 CA PRO B 55 70.861 0.136 -14.818 1.00 1.11 C ATOM 2089 C PRO B 55 71.993 0.259 -15.847 1.00 1.19 C ATOM 2090 O PRO B 55 71.789 0.714 -16.955 1.00 1.27 O ATOM 2091 CB PRO B 55 70.625 1.488 -14.122 1.00 1.12 C ATOM 2092 CG PRO B 55 70.943 1.294 -12.607 1.00 1.03 C ATOM 2093 CD PRO B 55 71.374 -0.169 -12.413 1.00 0.97 C ATOM 0 HA PRO B 55 69.975 -0.207 -15.352 1.00 1.11 H new ATOM 0 HB2 PRO B 55 71.264 2.258 -14.553 1.00 1.12 H new ATOM 0 HB3 PRO B 55 69.594 1.816 -14.259 1.00 1.12 H new ATOM 0 HG2 PRO B 55 71.735 1.973 -12.291 1.00 1.03 H new ATOM 0 HG3 PRO B 55 70.067 1.520 -11.999 1.00 1.03 H new ATOM 0 HD2 PRO B 55 72.397 -0.233 -12.043 1.00 0.97 H new ATOM 0 HD3 PRO B 55 70.739 -0.674 -11.684 1.00 0.97 H new ATOM 2101 N LYS B 56 73.189 -0.134 -15.484 1.00 1.18 N ATOM 2102 CA LYS B 56 74.317 -0.035 -16.412 1.00 1.27 C ATOM 2103 C LYS B 56 74.360 -1.260 -17.344 1.00 1.27 C ATOM 2104 O LYS B 56 75.324 -1.471 -18.053 1.00 1.33 O ATOM 2105 CB LYS B 56 75.622 0.044 -15.617 1.00 1.28 C ATOM 2106 CG LYS B 56 75.951 1.508 -15.319 1.00 1.36 C ATOM 2107 CD LYS B 56 75.370 1.895 -13.958 1.00 1.78 C ATOM 2108 CE LYS B 56 75.850 3.297 -13.579 1.00 1.83 C ATOM 2109 NZ LYS B 56 77.333 3.293 -13.437 1.00 2.63 N ATOM 0 H LYS B 56 73.417 -0.522 -14.569 1.00 1.18 H new ATOM 0 HA LYS B 56 74.195 0.863 -17.018 1.00 1.27 H new ATOM 0 HB2 LYS B 56 75.527 -0.515 -14.686 1.00 1.28 H new ATOM 0 HB3 LYS B 56 76.433 -0.414 -16.183 1.00 1.28 H new ATOM 0 HG2 LYS B 56 77.031 1.657 -15.321 1.00 1.36 H new ATOM 0 HG3 LYS B 56 75.539 2.150 -16.098 1.00 1.36 H new ATOM 0 HD2 LYS B 56 74.281 1.869 -13.995 1.00 1.78 H new ATOM 0 HD3 LYS B 56 75.680 1.176 -13.200 1.00 1.78 H new ATOM 0 HE2 LYS B 56 75.549 4.015 -14.342 1.00 1.83 H new ATOM 0 HE3 LYS B 56 75.385 3.612 -12.645 1.00 1.83 H new ATOM 0 HZ1 LYS B 56 77.621 4.051 -12.786 1.00 2.63 H new ATOM 0 HZ2 LYS B 56 77.643 2.375 -13.059 1.00 2.63 H new ATOM 0 HZ3 LYS B 56 77.771 3.450 -14.367 1.00 2.63 H new ATOM 2123 N GLN B 57 73.330 -2.071 -17.352 1.00 1.22 N ATOM 2124 CA GLN B 57 73.334 -3.265 -18.236 1.00 1.23 C ATOM 2125 C GLN B 57 72.737 -2.891 -19.592 1.00 1.31 C ATOM 2126 O GLN B 57 72.208 -1.813 -19.773 1.00 1.36 O ATOM 2127 CB GLN B 57 72.498 -4.375 -17.598 1.00 1.14 C ATOM 2128 CG GLN B 57 73.408 -5.543 -17.214 1.00 1.11 C ATOM 2129 CD GLN B 57 74.055 -6.121 -18.474 1.00 1.47 C ATOM 2130 OE1 GLN B 57 73.371 -6.573 -19.370 1.00 2.01 O ATOM 2131 NE2 GLN B 57 75.356 -6.125 -18.581 1.00 2.00 N ATOM 0 H GLN B 57 72.491 -1.953 -16.784 1.00 1.22 H new ATOM 0 HA GLN B 57 74.357 -3.616 -18.372 1.00 1.23 H new ATOM 0 HB2 GLN B 57 71.984 -3.996 -16.715 1.00 1.14 H new ATOM 0 HB3 GLN B 57 71.730 -4.712 -18.294 1.00 1.14 H new ATOM 0 HG2 GLN B 57 74.177 -5.206 -16.519 1.00 1.11 H new ATOM 0 HG3 GLN B 57 72.832 -6.314 -16.702 1.00 1.11 H new ATOM 0 HE21 GLN B 57 75.931 -5.745 -17.829 1.00 2.00 H new ATOM 0 HE22 GLN B 57 75.798 -6.508 -19.417 1.00 2.00 H new ATOM 2140 N LYS B 58 72.834 -3.765 -20.552 1.00 1.33 N ATOM 2141 CA LYS B 58 72.291 -3.452 -21.903 1.00 1.42 C ATOM 2142 C LYS B 58 70.872 -4.009 -22.052 1.00 1.38 C ATOM 2143 O LYS B 58 70.161 -3.656 -22.975 1.00 1.44 O ATOM 2144 CB LYS B 58 73.203 -4.080 -22.970 1.00 1.48 C ATOM 2145 CG LYS B 58 72.589 -3.929 -24.391 1.00 1.54 C ATOM 2146 CD LYS B 58 72.119 -2.481 -24.630 1.00 1.88 C ATOM 2147 CE LYS B 58 72.569 -2.019 -26.016 1.00 2.46 C ATOM 2148 NZ LYS B 58 71.765 -0.835 -26.431 1.00 3.08 N ATOM 0 H LYS B 58 73.266 -4.684 -20.460 1.00 1.33 H new ATOM 0 HA LYS B 58 72.257 -2.370 -22.031 1.00 1.42 H new ATOM 0 HB2 LYS B 58 74.183 -3.603 -22.941 1.00 1.48 H new ATOM 0 HB3 LYS B 58 73.355 -5.136 -22.747 1.00 1.48 H new ATOM 0 HG2 LYS B 58 73.328 -4.206 -25.143 1.00 1.54 H new ATOM 0 HG3 LYS B 58 71.748 -4.613 -24.504 1.00 1.54 H new ATOM 0 HD2 LYS B 58 71.033 -2.422 -24.551 1.00 1.88 H new ATOM 0 HD3 LYS B 58 72.531 -1.823 -23.865 1.00 1.88 H new ATOM 0 HE2 LYS B 58 73.629 -1.765 -26.000 1.00 2.46 H new ATOM 0 HE3 LYS B 58 72.446 -2.826 -26.738 1.00 2.46 H new ATOM 0 HZ1 LYS B 58 72.071 -0.521 -27.374 1.00 3.08 H new ATOM 0 HZ2 LYS B 58 70.758 -1.093 -26.462 1.00 3.08 H new ATOM 0 HZ3 LYS B 58 71.904 -0.064 -25.747 1.00 3.08 H new ATOM 2162 N TRP B 59 70.441 -4.856 -21.158 1.00 1.30 N ATOM 2163 CA TRP B 59 69.067 -5.392 -21.273 1.00 1.28 C ATOM 2164 C TRP B 59 68.158 -4.550 -20.403 1.00 1.26 C ATOM 2165 O TRP B 59 67.001 -4.379 -20.689 1.00 1.29 O ATOM 2166 CB TRP B 59 69.038 -6.895 -20.873 1.00 1.22 C ATOM 2167 CG TRP B 59 69.113 -7.071 -19.380 1.00 1.14 C ATOM 2168 CD1 TRP B 59 70.258 -7.211 -18.658 1.00 1.10 C ATOM 2169 CD2 TRP B 59 68.018 -7.148 -18.434 1.00 1.10 C ATOM 2170 NE1 TRP B 59 69.930 -7.372 -17.314 1.00 1.04 N ATOM 2171 CE2 TRP B 59 68.565 -7.342 -17.115 1.00 1.03 C ATOM 2172 CE3 TRP B 59 66.582 -7.069 -18.577 1.00 1.13 C ATOM 2173 CZ2 TRP B 59 67.717 -7.457 -15.969 1.00 0.98 C ATOM 2174 CZ3 TRP B 59 65.734 -7.187 -17.423 1.00 1.09 C ATOM 2175 CH2 TRP B 59 66.317 -7.381 -16.122 1.00 1.01 C ATOM 0 H TRP B 59 70.980 -5.195 -20.361 1.00 1.30 H new ATOM 0 HA TRP B 59 68.716 -5.338 -22.304 1.00 1.28 H new ATOM 0 HB2 TRP B 59 68.124 -7.355 -21.249 1.00 1.22 H new ATOM 0 HB3 TRP B 59 69.873 -7.414 -21.344 1.00 1.22 H new ATOM 0 HD1 TRP B 59 71.260 -7.199 -19.062 1.00 1.10 H new ATOM 0 HE1 TRP B 59 70.615 -7.497 -16.568 1.00 1.04 H new ATOM 0 HE3 TRP B 59 66.145 -6.921 -19.554 1.00 1.13 H new ATOM 0 HZ2 TRP B 59 68.148 -7.602 -14.989 1.00 0.98 H new ATOM 0 HZ3 TRP B 59 64.661 -7.130 -17.532 1.00 1.09 H new ATOM 0 HH2 TRP B 59 65.678 -7.469 -15.256 1.00 1.01 H new ATOM 2186 N VAL B 60 68.697 -3.978 -19.370 1.00 1.22 N ATOM 2187 CA VAL B 60 67.904 -3.087 -18.531 1.00 1.21 C ATOM 2188 C VAL B 60 67.837 -1.701 -19.201 1.00 1.30 C ATOM 2189 O VAL B 60 67.034 -0.882 -18.852 1.00 1.33 O ATOM 2190 CB VAL B 60 68.564 -2.993 -17.172 1.00 1.14 C ATOM 2191 CG1 VAL B 60 67.803 -2.010 -16.294 1.00 1.14 C ATOM 2192 CG2 VAL B 60 68.545 -4.373 -16.533 1.00 1.05 C ATOM 0 H VAL B 60 69.667 -4.100 -19.078 1.00 1.22 H new ATOM 0 HA VAL B 60 66.890 -3.467 -18.409 1.00 1.21 H new ATOM 0 HB VAL B 60 69.591 -2.643 -17.279 1.00 1.14 H new ATOM 0 HG11 VAL B 60 68.283 -1.947 -15.317 1.00 1.14 H new ATOM 0 HG12 VAL B 60 67.805 -1.026 -16.763 1.00 1.14 H new ATOM 0 HG13 VAL B 60 66.775 -2.352 -16.172 1.00 1.14 H new ATOM 0 HG21 VAL B 60 69.017 -4.326 -15.552 1.00 1.05 H new ATOM 0 HG22 VAL B 60 67.514 -4.709 -16.424 1.00 1.05 H new ATOM 0 HG23 VAL B 60 69.091 -5.074 -17.165 1.00 1.05 H new ATOM 2202 N GLN B 61 68.656 -1.449 -20.199 1.00 1.37 N ATOM 2203 CA GLN B 61 68.575 -0.142 -20.901 1.00 1.46 C ATOM 2204 C GLN B 61 67.397 -0.194 -21.866 1.00 1.52 C ATOM 2205 O GLN B 61 66.792 0.811 -22.180 1.00 1.58 O ATOM 2206 CB GLN B 61 69.870 0.111 -21.676 1.00 1.54 C ATOM 2207 CG GLN B 61 70.836 0.920 -20.809 1.00 1.52 C ATOM 2208 CD GLN B 61 71.644 1.869 -21.695 1.00 1.99 C ATOM 2209 OE1 GLN B 61 71.467 1.896 -22.897 1.00 2.55 O ATOM 2210 NE2 GLN B 61 72.531 2.655 -21.149 1.00 2.40 N ATOM 0 H GLN B 61 69.368 -2.091 -20.549 1.00 1.37 H new ATOM 0 HA GLN B 61 68.437 0.665 -20.181 1.00 1.46 H new ATOM 0 HB2 GLN B 61 70.327 -0.837 -21.960 1.00 1.54 H new ATOM 0 HB3 GLN B 61 69.654 0.650 -22.598 1.00 1.54 H new ATOM 0 HG2 GLN B 61 70.282 1.487 -20.061 1.00 1.52 H new ATOM 0 HG3 GLN B 61 71.506 0.250 -20.270 1.00 1.52 H new ATOM 0 HE21 GLN B 61 72.680 2.633 -20.140 1.00 2.40 H new ATOM 0 HE22 GLN B 61 73.075 3.292 -21.731 1.00 2.40 H new ATOM 2219 N ASP B 62 67.057 -1.369 -22.334 1.00 1.50 N ATOM 2220 CA ASP B 62 65.930 -1.494 -23.252 1.00 1.57 C ATOM 2221 C ASP B 62 64.634 -1.655 -22.450 1.00 1.52 C ATOM 2222 O ASP B 62 63.639 -1.021 -22.720 1.00 1.57 O ATOM 2223 CB ASP B 62 66.133 -2.716 -24.151 1.00 1.59 C ATOM 2224 CG ASP B 62 66.445 -2.257 -25.576 1.00 2.07 C ATOM 2225 OD1 ASP B 62 65.648 -1.516 -26.127 1.00 2.38 O ATOM 2226 OD2 ASP B 62 67.477 -2.654 -26.092 1.00 2.61 O ATOM 0 H ASP B 62 67.529 -2.244 -22.106 1.00 1.50 H new ATOM 0 HA ASP B 62 65.865 -0.599 -23.871 1.00 1.57 H new ATOM 0 HB2 ASP B 62 66.949 -3.330 -23.769 1.00 1.59 H new ATOM 0 HB3 ASP B 62 65.237 -3.337 -24.146 1.00 1.59 H new ATOM 2231 N SER B 63 64.658 -2.499 -21.461 1.00 1.43 N ATOM 2232 CA SER B 63 63.461 -2.733 -20.617 1.00 1.39 C ATOM 2233 C SER B 63 63.145 -1.482 -19.816 1.00 1.40 C ATOM 2234 O SER B 63 62.052 -0.979 -19.838 1.00 1.47 O ATOM 2235 CB SER B 63 63.786 -3.839 -19.644 1.00 1.27 C ATOM 2236 OG SER B 63 64.633 -4.792 -20.271 1.00 1.25 O ATOM 0 H SER B 63 65.476 -3.048 -21.198 1.00 1.43 H new ATOM 0 HA SER B 63 62.610 -2.992 -21.247 1.00 1.39 H new ATOM 0 HB2 SER B 63 64.275 -3.428 -18.761 1.00 1.27 H new ATOM 0 HB3 SER B 63 62.869 -4.320 -19.305 1.00 1.27 H new ATOM 0 HG SER B 63 65.557 -4.652 -19.976 1.00 1.25 H new ATOM 2242 N MET B 64 64.102 -1.006 -19.072 1.00 1.35 N ATOM 2243 CA MET B 64 63.885 0.205 -18.224 1.00 1.36 C ATOM 2244 C MET B 64 63.297 1.329 -19.066 1.00 1.46 C ATOM 2245 O MET B 64 62.627 2.188 -18.561 1.00 1.45 O ATOM 2246 CB MET B 64 65.222 0.658 -17.649 1.00 1.33 C ATOM 2247 CG MET B 64 65.024 1.876 -16.742 1.00 1.80 C ATOM 2248 SD MET B 64 66.272 3.142 -17.136 1.00 1.83 S ATOM 2249 CE MET B 64 67.728 2.055 -17.188 1.00 1.52 C ATOM 0 H MET B 64 65.038 -1.407 -19.012 1.00 1.35 H new ATOM 0 HA MET B 64 63.194 -0.039 -17.417 1.00 1.36 H new ATOM 0 HB2 MET B 64 65.677 -0.155 -17.083 1.00 1.33 H new ATOM 0 HB3 MET B 64 65.909 0.906 -18.458 1.00 1.33 H new ATOM 0 HG2 MET B 64 64.022 2.284 -16.878 1.00 1.80 H new ATOM 0 HG3 MET B 64 65.109 1.581 -15.696 1.00 1.80 H new ATOM 0 HE1 MET B 64 68.618 2.626 -16.922 1.00 1.52 H new ATOM 0 HE2 MET B 64 67.597 1.237 -16.480 1.00 1.52 H new ATOM 0 HE3 MET B 64 67.844 1.650 -18.193 1.00 1.52 H new ATOM 2259 N ASP B 65 63.547 1.321 -20.352 1.00 1.55 N ATOM 2260 CA ASP B 65 63.009 2.366 -21.223 1.00 1.65 C ATOM 2261 C ASP B 65 61.600 1.998 -21.606 1.00 1.69 C ATOM 2262 O ASP B 65 60.721 2.831 -21.698 1.00 1.72 O ATOM 2263 CB ASP B 65 63.872 2.487 -22.481 1.00 1.74 C ATOM 2264 CG ASP B 65 64.710 3.764 -22.403 1.00 1.99 C ATOM 2265 OD1 ASP B 65 65.016 4.183 -21.299 1.00 2.39 O ATOM 2266 OD2 ASP B 65 65.033 4.302 -23.450 1.00 2.26 O ATOM 0 H ASP B 65 64.112 0.616 -20.826 1.00 1.55 H new ATOM 0 HA ASP B 65 63.013 3.322 -20.700 1.00 1.65 H new ATOM 0 HB2 ASP B 65 64.523 1.617 -22.574 1.00 1.74 H new ATOM 0 HB3 ASP B 65 63.239 2.508 -23.368 1.00 1.74 H new ATOM 2271 N HIS B 66 61.379 0.751 -21.807 1.00 1.71 N ATOM 2272 CA HIS B 66 60.035 0.278 -22.166 1.00 1.77 C ATOM 2273 C HIS B 66 59.071 0.650 -21.047 1.00 1.70 C ATOM 2274 O HIS B 66 57.906 0.897 -21.270 1.00 1.77 O ATOM 2275 CB HIS B 66 60.055 -1.242 -22.349 1.00 1.80 C ATOM 2276 CG HIS B 66 58.673 -1.725 -22.700 1.00 1.71 C ATOM 2277 ND1 HIS B 66 57.686 -2.304 -21.943 1.00 2.26 N flip ATOM 2278 CD2 HIS B 66 58.159 -1.630 -23.984 1.00 1.82 C flip ATOM 2279 CE1 HIS B 66 56.576 -2.566 -22.739 1.00 2.86 C flip ATOM 2280 NE2 HIS B 66 56.913 -2.141 -23.960 1.00 2.50 N flip ATOM 0 H HIS B 66 62.087 0.020 -21.737 1.00 1.71 H new ATOM 0 HA HIS B 66 59.715 0.741 -23.099 1.00 1.77 H new ATOM 0 HB2 HIS B 66 60.758 -1.515 -23.136 1.00 1.80 H new ATOM 0 HB3 HIS B 66 60.399 -1.724 -21.434 1.00 1.80 H new ATOM 0 HD2 HIS B 66 58.665 -1.221 -24.846 1.00 1.82 H new ATOM 0 HE1 HIS B 66 55.642 -3.016 -22.435 1.00 2.86 H new ATOM 0 HE2 HIS B 66 56.301 -2.197 -24.774 1.00 2.50 H new ATOM 2288 N LEU B 67 59.566 0.713 -19.845 1.00 1.58 N ATOM 2289 CA LEU B 67 58.711 1.091 -18.694 1.00 1.53 C ATOM 2290 C LEU B 67 58.785 2.593 -18.535 1.00 1.57 C ATOM 2291 O LEU B 67 57.819 3.245 -18.192 1.00 1.61 O ATOM 2292 CB LEU B 67 59.214 0.390 -17.412 1.00 1.37 C ATOM 2293 CG LEU B 67 59.631 -1.063 -17.731 1.00 1.36 C ATOM 2294 CD1 LEU B 67 60.416 -1.643 -16.577 1.00 1.23 C ATOM 2295 CD2 LEU B 67 58.407 -1.902 -17.943 1.00 1.45 C ATOM 0 H LEU B 67 60.539 0.516 -19.610 1.00 1.58 H new ATOM 0 HA LEU B 67 57.680 0.782 -18.866 1.00 1.53 H new ATOM 0 HB2 LEU B 67 60.061 0.937 -16.997 1.00 1.37 H new ATOM 0 HB3 LEU B 67 58.430 0.394 -16.655 1.00 1.37 H new ATOM 0 HG LEU B 67 60.247 -1.060 -18.631 1.00 1.36 H new ATOM 0 HD11 LEU B 67 60.705 -2.667 -16.812 1.00 1.23 H new ATOM 0 HD12 LEU B 67 61.310 -1.043 -16.407 1.00 1.23 H new ATOM 0 HD13 LEU B 67 59.799 -1.637 -15.678 1.00 1.23 H new ATOM 0 HD21 LEU B 67 58.703 -2.927 -18.168 1.00 1.45 H new ATOM 0 HD22 LEU B 67 57.797 -1.890 -17.040 1.00 1.45 H new ATOM 0 HD23 LEU B 67 57.830 -1.500 -18.776 1.00 1.45 H new ATOM 2307 N ASP B 68 59.898 3.161 -18.892 1.00 1.59 N ATOM 2308 CA ASP B 68 60.016 4.606 -18.889 1.00 1.64 C ATOM 2309 C ASP B 68 59.056 5.183 -19.937 1.00 1.79 C ATOM 2310 O ASP B 68 58.771 6.364 -19.941 1.00 1.86 O ATOM 2311 CB ASP B 68 61.462 4.997 -19.211 1.00 1.65 C ATOM 2312 CG ASP B 68 62.035 5.830 -18.063 1.00 1.59 C ATOM 2313 OD1 ASP B 68 61.394 6.794 -17.679 1.00 1.53 O ATOM 2314 OD2 ASP B 68 63.106 5.490 -17.588 1.00 1.75 O ATOM 0 H ASP B 68 60.736 2.660 -19.188 1.00 1.59 H new ATOM 0 HA ASP B 68 59.757 5.006 -17.909 1.00 1.64 H new ATOM 0 HB2 ASP B 68 62.066 4.103 -19.362 1.00 1.65 H new ATOM 0 HB3 ASP B 68 61.497 5.566 -20.140 1.00 1.65 H new ATOM 2319 N LYS B 69 58.513 4.344 -20.810 1.00 1.85 N ATOM 2320 CA LYS B 69 57.568 4.833 -21.780 1.00 2.01 C ATOM 2321 C LYS B 69 56.394 3.870 -21.881 1.00 2.03 C ATOM 2322 O LYS B 69 55.893 3.585 -22.951 1.00 2.14 O ATOM 2323 CB LYS B 69 58.241 4.999 -23.146 1.00 2.11 C ATOM 2324 CG LYS B 69 58.709 3.636 -23.658 1.00 2.07 C ATOM 2325 CD LYS B 69 60.033 3.802 -24.410 1.00 2.13 C ATOM 2326 CE LYS B 69 60.004 2.962 -25.687 1.00 2.38 C ATOM 2327 NZ LYS B 69 60.028 3.863 -26.873 1.00 2.74 N ATOM 0 H LYS B 69 58.711 3.345 -20.860 1.00 1.85 H new ATOM 0 HA LYS B 69 57.202 5.808 -21.459 1.00 2.01 H new ATOM 0 HB2 LYS B 69 57.543 5.444 -23.855 1.00 2.11 H new ATOM 0 HB3 LYS B 69 59.089 5.679 -23.064 1.00 2.11 H new ATOM 0 HG2 LYS B 69 58.836 2.946 -22.824 1.00 2.07 H new ATOM 0 HG3 LYS B 69 57.956 3.204 -24.317 1.00 2.07 H new ATOM 0 HD2 LYS B 69 60.194 4.852 -24.656 1.00 2.13 H new ATOM 0 HD3 LYS B 69 60.864 3.492 -23.777 1.00 2.13 H new ATOM 0 HE2 LYS B 69 60.860 2.288 -25.711 1.00 2.38 H new ATOM 0 HE3 LYS B 69 59.109 2.341 -25.707 1.00 2.38 H new ATOM 0 HZ1 LYS B 69 60.008 3.293 -27.743 1.00 2.74 H new ATOM 0 HZ2 LYS B 69 59.198 4.489 -26.850 1.00 2.74 H new ATOM 0 HZ3 LYS B 69 60.895 4.437 -26.855 1.00 2.74 H new ATOM 2341 N GLN B 70 55.938 3.384 -20.764 1.00 1.94 N ATOM 2342 CA GLN B 70 54.809 2.477 -20.758 1.00 1.97 C ATOM 2343 C GLN B 70 53.574 3.198 -20.245 1.00 2.14 C ATOM 2344 O GLN B 70 52.465 2.954 -20.679 1.00 2.33 O ATOM 2345 CB GLN B 70 55.107 1.259 -19.870 1.00 2.02 C ATOM 2346 CG GLN B 70 55.288 1.703 -18.413 1.00 2.24 C ATOM 2347 CD GLN B 70 53.937 1.669 -17.698 1.00 2.72 C ATOM 2348 OE1 GLN B 70 52.914 1.453 -18.316 1.00 2.87 O ATOM 2349 NE2 GLN B 70 53.890 1.877 -16.411 1.00 3.42 N ATOM 0 H GLN B 70 56.324 3.595 -19.843 1.00 1.94 H new ATOM 0 HA GLN B 70 54.629 2.133 -21.776 1.00 1.97 H new ATOM 0 HB2 GLN B 70 54.292 0.539 -19.941 1.00 2.02 H new ATOM 0 HB3 GLN B 70 56.008 0.755 -20.220 1.00 2.02 H new ATOM 0 HG2 GLN B 70 55.996 1.047 -17.907 1.00 2.24 H new ATOM 0 HG3 GLN B 70 55.705 2.709 -18.377 1.00 2.24 H new ATOM 0 HE21 GLN B 70 54.749 2.058 -15.892 1.00 3.42 H new ATOM 0 HE22 GLN B 70 52.994 1.858 -15.924 1.00 3.42 H new ATOM 2358 N THR B 71 53.761 4.068 -19.320 1.00 2.21 N ATOM 2359 CA THR B 71 52.636 4.804 -18.751 1.00 2.57 C ATOM 2360 C THR B 71 52.489 6.171 -19.437 1.00 2.77 C ATOM 2361 O THR B 71 51.773 7.033 -18.965 1.00 3.08 O ATOM 2362 CB THR B 71 52.866 5.006 -17.251 1.00 2.67 C ATOM 2363 OG1 THR B 71 51.846 5.846 -16.726 1.00 3.36 O ATOM 2364 CG2 THR B 71 54.231 5.657 -17.025 1.00 2.38 C ATOM 0 H THR B 71 54.672 4.304 -18.926 1.00 2.21 H new ATOM 0 HA THR B 71 51.722 4.231 -18.910 1.00 2.57 H new ATOM 0 HB THR B 71 52.839 4.040 -16.746 1.00 2.67 H new ATOM 0 HG1 THR B 71 51.350 6.258 -17.464 1.00 3.36 H new ATOM 0 HG21 THR B 71 54.393 5.800 -15.957 1.00 2.38 H new ATOM 0 HG22 THR B 71 55.013 5.013 -17.428 1.00 2.38 H new ATOM 0 HG23 THR B 71 54.261 6.623 -17.529 1.00 2.38 H new ATOM 2372 N GLN B 72 53.169 6.385 -20.535 1.00 2.81 N ATOM 2373 CA GLN B 72 53.075 7.674 -21.215 1.00 3.19 C ATOM 2374 C GLN B 72 51.931 7.641 -22.230 1.00 3.47 C ATOM 2375 O GLN B 72 52.032 7.029 -23.275 1.00 3.71 O ATOM 2376 CB GLN B 72 54.393 7.972 -21.932 1.00 3.44 C ATOM 2377 CG GLN B 72 55.509 8.135 -20.898 1.00 3.50 C ATOM 2378 CD GLN B 72 56.303 9.407 -21.197 1.00 4.04 C ATOM 2379 OE1 GLN B 72 55.752 10.490 -21.220 1.00 4.29 O ATOM 2380 NE2 GLN B 72 57.585 9.322 -21.429 1.00 4.60 N ATOM 0 H GLN B 72 53.786 5.705 -20.979 1.00 2.81 H new ATOM 0 HA GLN B 72 52.879 8.455 -20.481 1.00 3.19 H new ATOM 0 HB2 GLN B 72 54.636 7.163 -22.621 1.00 3.44 H new ATOM 0 HB3 GLN B 72 54.299 8.880 -22.527 1.00 3.44 H new ATOM 0 HG2 GLN B 72 55.085 8.186 -19.895 1.00 3.50 H new ATOM 0 HG3 GLN B 72 56.169 7.268 -20.921 1.00 3.50 H new ATOM 0 HE21 GLN B 72 58.048 8.413 -21.410 1.00 4.60 H new ATOM 0 HE22 GLN B 72 58.124 10.164 -21.629 1.00 4.60 H new ATOM 2389 N THR B 73 50.840 8.291 -21.928 1.00 3.74 N ATOM 2390 CA THR B 73 49.688 8.294 -22.867 1.00 4.15 C ATOM 2391 C THR B 73 49.612 9.667 -23.586 1.00 4.05 C ATOM 2392 O THR B 73 49.119 10.619 -23.013 1.00 4.15 O ATOM 2393 CB THR B 73 48.401 8.066 -22.075 1.00 4.71 C ATOM 2394 OG1 THR B 73 48.616 7.047 -21.109 1.00 5.12 O ATOM 2395 CG2 THR B 73 47.285 7.641 -23.026 1.00 5.25 C ATOM 0 H THR B 73 50.699 8.821 -21.068 1.00 3.74 H new ATOM 0 HA THR B 73 49.813 7.503 -23.607 1.00 4.15 H new ATOM 0 HB THR B 73 48.115 8.990 -21.572 1.00 4.71 H new ATOM 0 HG1 THR B 73 47.792 6.901 -20.599 1.00 5.12 H new ATOM 0 HG21 THR B 73 46.367 7.479 -22.461 1.00 5.25 H new ATOM 0 HG22 THR B 73 47.121 8.423 -23.767 1.00 5.25 H new ATOM 0 HG23 THR B 73 47.569 6.717 -23.530 1.00 5.25 H new ATOM 2403 N PRO B 74 50.104 9.740 -24.831 1.00 4.28 N ATOM 2404 CA PRO B 74 50.074 10.997 -25.585 1.00 4.53 C ATOM 2405 C PRO B 74 48.633 11.495 -25.729 1.00 4.57 C ATOM 2406 O PRO B 74 47.782 10.817 -26.269 1.00 4.73 O ATOM 2407 CB PRO B 74 50.669 10.657 -26.964 1.00 5.21 C ATOM 2408 CG PRO B 74 51.077 9.150 -26.937 1.00 5.43 C ATOM 2409 CD PRO B 74 50.704 8.598 -25.550 1.00 4.77 C ATOM 0 HA PRO B 74 50.635 11.787 -25.086 1.00 4.53 H new ATOM 0 HB2 PRO B 74 49.940 10.843 -27.753 1.00 5.21 H new ATOM 0 HB3 PRO B 74 51.534 11.285 -27.174 1.00 5.21 H new ATOM 0 HG2 PRO B 74 50.560 8.598 -27.722 1.00 5.43 H new ATOM 0 HG3 PRO B 74 52.146 9.038 -27.120 1.00 5.43 H new ATOM 0 HD2 PRO B 74 50.000 7.770 -25.631 1.00 4.77 H new ATOM 0 HD3 PRO B 74 51.582 8.220 -25.027 1.00 4.77 H new ATOM 2417 N LYS B 75 48.354 12.676 -25.247 1.00 4.79 N ATOM 2418 CA LYS B 75 46.970 13.218 -25.352 1.00 5.09 C ATOM 2419 C LYS B 75 46.538 13.240 -26.820 1.00 5.52 C ATOM 2420 O LYS B 75 47.183 13.839 -27.658 1.00 5.89 O ATOM 2421 CB LYS B 75 46.936 14.640 -24.789 1.00 5.35 C ATOM 2422 CG LYS B 75 45.482 15.088 -24.617 1.00 5.82 C ATOM 2423 CD LYS B 75 45.291 16.460 -25.267 1.00 6.48 C ATOM 2424 CE LYS B 75 43.797 16.781 -25.352 1.00 7.31 C ATOM 2425 NZ LYS B 75 43.305 16.499 -26.730 1.00 8.08 N ATOM 0 H LYS B 75 49.026 13.289 -24.785 1.00 4.79 H new ATOM 0 HA LYS B 75 46.289 12.585 -24.784 1.00 5.09 H new ATOM 0 HB2 LYS B 75 47.454 14.675 -23.831 1.00 5.35 H new ATOM 0 HB3 LYS B 75 47.460 15.321 -25.460 1.00 5.35 H new ATOM 0 HG2 LYS B 75 44.810 14.361 -25.073 1.00 5.82 H new ATOM 0 HG3 LYS B 75 45.228 15.137 -23.558 1.00 5.82 H new ATOM 0 HD2 LYS B 75 45.806 17.225 -24.685 1.00 6.48 H new ATOM 0 HD3 LYS B 75 45.733 16.467 -26.264 1.00 6.48 H new ATOM 0 HE2 LYS B 75 43.244 16.183 -24.628 1.00 7.31 H new ATOM 0 HE3 LYS B 75 43.624 17.827 -25.100 1.00 7.31 H new ATOM 0 HZ1 LYS B 75 42.309 16.203 -26.689 1.00 8.08 H new ATOM 0 HZ2 LYS B 75 43.387 17.358 -27.311 1.00 8.08 H new ATOM 0 HZ3 LYS B 75 43.875 15.739 -27.153 1.00 8.08 H new ATOM 2439 N THR B 76 45.451 12.593 -27.138 1.00 5.82 N ATOM 2440 CA THR B 76 44.978 12.579 -28.551 1.00 6.58 C ATOM 2441 C THR B 76 43.793 13.536 -28.701 1.00 6.87 C ATOM 2442 O THR B 76 43.866 14.409 -29.551 1.00 7.02 O ATOM 2443 CB THR B 76 44.539 11.162 -28.929 1.00 7.23 C ATOM 2444 OG1 THR B 76 43.468 10.759 -28.087 1.00 7.40 O ATOM 2445 CG2 THR B 76 45.715 10.200 -28.756 1.00 7.59 C ATOM 2446 OXT THR B 76 42.834 13.381 -27.964 1.00 7.19 O ATOM 0 H THR B 76 44.870 12.073 -26.480 1.00 5.82 H new ATOM 0 HA THR B 76 45.788 12.896 -29.208 1.00 6.58 H new ATOM 0 HB THR B 76 44.210 11.148 -29.968 1.00 7.23 H new ATOM 0 HG1 THR B 76 43.024 11.552 -27.721 1.00 7.40 H new ATOM 0 HG21 THR B 76 45.402 9.191 -29.025 1.00 7.59 H new ATOM 0 HG22 THR B 76 46.537 10.510 -29.402 1.00 7.59 H new ATOM 0 HG23 THR B 76 46.046 10.212 -27.717 1.00 7.59 H new TER 2454 THR B 76 CONECT 148 570 CONECT 158 833 CONECT 570 148 CONECT 833 158 CONECT 1375 1797 CONECT 1385 2060 CONECT 1797 1375 CONECT 2060 1385 END