USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 hets) HEADER CYTOKINE(CHEMOTACTIC) 31-JAN-94 1HUM TITLE SOLUTION STRUCTURE OF THE CHEMOKINE HMIP-1BETA(SLASH)ACT-2 TITLE 2 BY MULTI-DIMENSIONAL NMR: A NOVEL CHEMOKINE DIMER COMPND MOL_ID: 1; COMPND 2 MOLECULE: HUMAN MACROPHAGE INFLAMMATORY PROTEIN 1 BETA; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS CYTOKINE(CHEMOTACTIC) EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,P.J.LODI,D.S.GARRETT,A.M.GRONENBORN REVDAT 2 24-FEB-09 1HUM 1 VERSN REVDAT 1 30-APR-94 1HUM 0 JRNL AUTH P.J.LODI,D.S.GARRETT,J.KUSZEWSKI,M.L.TSANG, JRNL AUTH 2 J.A.WEATHERBEE,W.J.LEONARD,A.M.GRONENBORN,G.M.CLORE JRNL TITL HIGH-RESOLUTION SOLUTION STRUCTURE OF THE BETA JRNL TITL 2 CHEMOKINE HMIP-1 BETA BY MULTIDIMENSIONAL NMR. JRNL REF SCIENCE V. 263 1762 1994 JRNL REFN ISSN 0036-8075 JRNL PMID 8134838 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 RESTRAINED MINIMIZED AVERAGE STRUCTURE OVER 35 FILES REMARK 3 AVE.RMS DIFF. TO MEAN FOR BACKBONE REMARK 3 (4-69)= 0.304637 ANGSTROMS REMARK 3 AVE.RMS DIFF. TO MEAN FOR ALL ORDERED NON-H-ATOMS REMARK 3 (4-69)= 0.45 ANGSTROMS REMARK 3 AVE.RMS DIFF. TO MEAN FOR ALL NON-H-ATOMS REMARK 3 (4-69)= 0.706906 ANGSTROMS REMARK 3 REMARK 3 THE 3D STRUCTURE OF THE HMIP-1BETA DIMER IN SOLUTION BY NMR REMARK 3 IS BASED ON 3586 EXPERIMENTAL RESTRAINTS COMPRISING: 3132 REMARK 3 STRUCTURE USEFUL INTERPROTON DISTANCE RESTRAINTS OF WHICH REMARK 3 228 ARE INTERSUBUNIT; 24 RESTRAINTS FOR 12 H-BONDS REMARK 3 INVOLVING TIGHTLY BOUND WATER MOLECULES; 108 RESTRAINTS FOR REMARK 3 54 BACKBONE HYDROGEN BONDS INVOLVING SLOWLY EXCHANGING REMARK 3 AMIDE PROTONS; 220 TORSION ANGLE RESTRAINTS (122 PHI, 10 REMARK 3 PSI, 80 CHI1 AND 8 CHI2); AND 102 HN-HALPHA THREE-BOND REMARK 3 COUPLING CONSTANTS. A COMPLETE LIST OF EXPERIMENTAL REMARK 3 RESTRAINTS AND 1H, 13C AND 15N ASSIGNMENTS ARE AVAILABLE REMARK 3 FROM THE PROTEIN DATA BANK AS A SEPARATE ENTRY. REMARK 3 REMARK 3 THE STRUCTURES ARE CALCULATED USING THE HYBRID METRIC REMARK 3 MATRIX DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING REMARK 3 METHOD DESCRIBED BY: NILGES, M., CLORE, G.M. & GRONENBORN, REMARK 3 A.M. (1988) FEBS LETT 229, 317-324. ALL STRUCTURAL REMARK 3 STATISTICS ARE GIVEN IN THE REFERENCE. REMARK 3 REMARK 3 THIS ENTRY CORRESPONDS TO THE RESTRAINED MINIMIZED REMARK 3 AVERAGE STRUCTURE: (SA)R. THIS IS OBTAINED BY FIRST REMARK 3 AVERAGING THE COORDINATES OF THE INDIVIDUAL 35 DYNAMICAL REMARK 3 SIMULATED ANNEALING SA STRUCTURES BEST FITTED TO RESIDUES REMARK 3 A 4 - A 69 (CHAIN A) AND B 4 - B 69 (CHAIN B), AND REMARK 3 SUBJECTING THE RESULTING COORDINATES TO RESTRAINED REMARK 3 MINIMIZATION. REMARK 3 REMARK 3 THE FIELD THAT CONTAINS THE B VALUE IN X-RAY STRUCTURES REMARK 3 (COLUMNS 61 - 66) GIVES THE AVERAGE RMS DIFFERENCE BETWEEN REMARK 3 THE INDIVIDUAL SA STRUCTURES AND THE MEAN STRUCTURE. REMARK 4 REMARK 4 1HUM 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 ASP A 6 71.59 -159.73 REMARK 500 PRO A 8 -158.72 -62.06 REMARK 500 ALA A 10 82.32 -68.93 REMARK 500 SER A 14 -154.04 -156.20 REMARK 500 THR A 16 -156.89 -60.47 REMARK 500 PHE A 24 28.64 -140.45 REMARK 500 THR A 31 -167.60 -72.35 REMARK 500 SER A 32 -146.88 -83.64 REMARK 500 SER A 33 -34.80 -140.92 REMARK 500 SER A 36 30.63 -65.94 REMARK 500 GLN A 37 66.79 -153.23 REMARK 500 THR A 44 -158.75 -98.21 REMARK 500 SER A 47 -121.20 -167.55 REMARK 500 LYS A 48 -94.17 -158.33 REMARK 500 LEU A 68 -81.16 -78.26 REMARK 500 ASP B 6 71.60 -159.75 REMARK 500 PRO B 8 -158.68 -62.02 REMARK 500 ALA B 10 82.26 -68.87 REMARK 500 SER B 14 -154.07 -156.12 REMARK 500 THR B 16 -156.96 -60.40 REMARK 500 PHE B 24 28.71 -140.48 REMARK 500 THR B 31 -167.64 -72.30 REMARK 500 SER B 32 -146.85 -83.62 REMARK 500 SER B 33 -34.87 -140.94 REMARK 500 SER B 36 30.72 -66.12 REMARK 500 GLN B 37 66.76 -153.36 REMARK 500 THR B 44 -158.64 -98.22 REMARK 500 SER B 47 -121.18 -167.59 REMARK 500 LYS B 48 -94.14 -158.34 REMARK 500 LEU B 68 -81.16 -78.28 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HUN RELATED DB: PDB DBREF 1HUM A 1 69 UNP P13236 CCL4_HUMAN 24 92 DBREF 1HUM B 1 69 UNP P13236 CCL4_HUMAN 24 92 SEQRES 1 A 69 ALA PRO MET GLY SER ASP PRO PRO THR ALA CYS CYS PHE SEQRES 2 A 69 SER TYR THR ALA ARG LYS LEU PRO ARG ASN PHE VAL VAL SEQRES 3 A 69 ASP TYR TYR GLU THR SER SER LEU CYS SER GLN PRO ALA SEQRES 4 A 69 VAL VAL PHE GLN THR LYS ARG SER LYS GLN VAL CYS ALA SEQRES 5 A 69 ASP PRO SER GLU SER TRP VAL GLN GLU TYR VAL TYR ASP SEQRES 6 A 69 LEU GLU LEU ASN SEQRES 1 B 69 ALA PRO MET GLY SER ASP PRO PRO THR ALA CYS CYS PHE SEQRES 2 B 69 SER TYR THR ALA ARG LYS LEU PRO ARG ASN PHE VAL VAL SEQRES 3 B 69 ASP TYR TYR GLU THR SER SER LEU CYS SER GLN PRO ALA SEQRES 4 B 69 VAL VAL PHE GLN THR LYS ARG SER LYS GLN VAL CYS ALA SEQRES 5 B 69 ASP PRO SER GLU SER TRP VAL GLN GLU TYR VAL TYR ASP SEQRES 6 B 69 LEU GLU LEU ASN FORMUL 3 HOH *4(H2 O) HELIX 1 1 PRO A 21 VAL A 25 5 5 HELIX 2 2 GLU A 56 ASN A 69 1 14 HELIX 3 3 PRO B 21 VAL B 25 5 5 HELIX 4 4 GLU B 56 ASN B 69 1 14 SHEET 1 A 3 ASP A 27 GLU A 30 0 SHEET 2 A 3 VAL A 40 GLN A 43 -1 O VAL A 41 N TYR A 29 SHEET 3 A 3 GLN A 49 ALA A 52 -1 O VAL A 50 N PHE A 42 SHEET 1 B 3 ASP B 27 GLU B 30 0 SHEET 2 B 3 VAL B 40 GLN B 43 -1 O VAL B 41 N TYR B 29 SHEET 3 B 3 GLN B 49 ALA B 52 -1 O VAL B 50 N PHE B 42 SSBOND *** CYS A 11 CYS A 35 1555 1555 2.02 SSBOND *** CYS A 12 CYS A 51 1555 1555 2.02 SSBOND *** CYS B 11 CYS B 35 1555 1555 2.02 SSBOND *** CYS B 12 CYS B 51 1555 1555 2.02 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 44 THR OG1 : rot 146:sc= 1.25 USER MOD Set 1.2: B 47 SER OG : rot -78:sc= 0.682! USER MOD Set 2.1: A 44 THR OG1 : rot 145:sc= 1.16 USER MOD Set 2.2: A 47 SER OG : rot -78:sc= 0.485! USER MOD Single : A 1 ALA N :NH3+ -118:sc= -0.74 (180deg=-2.71!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 173:sc= -0.47 USER MOD Single : A 14 SER OG : rot -87:sc= 1.43 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.429 USER MOD Single : A 19 LYS NZ :NH3+ -109:sc= -1.18 (180deg=-3.38!) USER MOD Single : A 23 ASN : amide:sc= -0.283 K(o=-0.28,f=-2.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 15:sc= -1.17 USER MOD Single : A 32 SER OG : rot -150:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.108 USER MOD Single : A 36 SER OG : rot 180:sc= 0.112 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 43 GLN : amide:sc= -2.28! C(o=-2.3!,f=-6.2!) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0.325 (180deg=0.308) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.034 K(o=-0.034,f=-1.1) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.416 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 ALA N :NH3+ -122:sc= -0.701 (180deg=-2.72!) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 171:sc= -0.496 USER MOD Single : B 14 SER OG : rot -88:sc= 1.25 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.414! USER MOD Single : B 19 LYS NZ :NH3+ -112:sc= -1.11 (180deg=-3.36!) USER MOD Single : B 23 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.6!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 30:sc= -1.11 USER MOD Single : B 32 SER OG : rot -150:sc= 0 USER MOD Single : B 33 SER OG : rot 180:sc= -0.0894 USER MOD Single : B 36 SER OG : rot 180:sc= 0.154 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 GLN : amide:sc= -2.3! C(o=-2.3!,f=-6.3!) USER MOD Single : B 45 LYS NZ :NH3+ 177:sc= 0.313 (180deg=0.305) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -0.0517 K(o=-0.052,f=-1.1) USER MOD Single : B 62 TYR OH : rot 180:sc= -0.415 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.458 18.076 -12.595 1.00 3.69 N ATOM 2 CA ALA A 1 -8.768 16.813 -12.201 1.00 3.21 C ATOM 3 C ALA A 1 -9.023 16.533 -10.712 1.00 2.70 C ATOM 4 O ALA A 1 -8.122 16.662 -9.906 1.00 2.72 O ATOM 5 CB ALA A 1 -7.262 16.964 -12.438 1.00 3.46 C ATOM 0 H1 ALA A 1 -10.171 17.869 -13.323 1.00 3.69 H new ATOM 0 H2 ALA A 1 -9.923 18.492 -11.763 1.00 3.69 H new ATOM 0 H3 ALA A 1 -8.761 18.749 -12.974 1.00 3.69 H new ATOM 0 HA ALA A 1 -9.153 15.986 -12.798 1.00 3.21 H new ATOM 0 HB1 ALA A 1 -6.754 16.043 -12.151 1.00 3.46 H new ATOM 0 HB2 ALA A 1 -7.078 17.166 -13.493 1.00 3.46 H new ATOM 0 HB3 ALA A 1 -6.880 17.790 -11.838 1.00 3.46 H new ATOM 13 N PRO A 2 -10.241 16.165 -10.378 1.00 2.34 N ATOM 14 CA PRO A 2 -10.601 15.879 -8.977 1.00 1.97 C ATOM 15 C PRO A 2 -9.754 14.711 -8.452 1.00 1.70 C ATOM 16 O PRO A 2 -9.527 13.736 -9.141 1.00 1.73 O ATOM 17 CB PRO A 2 -12.107 15.524 -9.015 1.00 1.82 C ATOM 18 CG PRO A 2 -12.585 15.671 -10.490 1.00 2.08 C ATOM 19 CD PRO A 2 -11.347 16.009 -11.349 1.00 2.44 C ATOM 0 HA PRO A 2 -10.414 16.720 -8.309 1.00 1.97 H new ATOM 0 HB2 PRO A 2 -12.270 14.507 -8.658 1.00 1.82 H new ATOM 0 HB3 PRO A 2 -12.674 16.186 -8.360 1.00 1.82 H new ATOM 0 HG2 PRO A 2 -13.051 14.748 -10.836 1.00 2.08 H new ATOM 0 HG3 PRO A 2 -13.335 16.457 -10.573 1.00 2.08 H new ATOM 0 HD2 PRO A 2 -11.135 15.216 -12.066 1.00 2.44 H new ATOM 0 HD3 PRO A 2 -11.501 16.923 -11.922 1.00 2.44 H new ATOM 27 N MET A 3 -9.282 14.807 -7.239 1.00 1.58 N ATOM 28 CA MET A 3 -8.449 13.709 -6.673 1.00 1.46 C ATOM 29 C MET A 3 -9.356 12.567 -6.206 1.00 1.12 C ATOM 30 O MET A 3 -10.512 12.770 -5.891 1.00 0.94 O ATOM 31 CB MET A 3 -7.642 14.245 -5.483 1.00 1.62 C ATOM 32 CG MET A 3 -7.201 15.682 -5.770 1.00 2.03 C ATOM 33 SD MET A 3 -6.066 16.233 -4.470 1.00 2.41 S ATOM 34 CE MET A 3 -6.554 17.975 -4.457 1.00 3.28 C ATOM 0 H MET A 3 -9.438 15.599 -6.615 1.00 1.58 H new ATOM 0 HA MET A 3 -7.767 13.337 -7.437 1.00 1.46 H new ATOM 0 HB2 MET A 3 -8.246 14.213 -4.576 1.00 1.62 H new ATOM 0 HB3 MET A 3 -6.771 13.614 -5.307 1.00 1.62 H new ATOM 0 HG2 MET A 3 -6.712 15.737 -6.743 1.00 2.03 H new ATOM 0 HG3 MET A 3 -8.070 16.339 -5.813 1.00 2.03 H new ATOM 0 HE1 MET A 3 -5.967 18.512 -3.712 1.00 3.28 H new ATOM 0 HE2 MET A 3 -6.377 18.410 -5.441 1.00 3.28 H new ATOM 0 HE3 MET A 3 -7.613 18.054 -4.211 1.00 3.28 H new ATOM 44 N GLY A 4 -8.840 11.370 -6.147 1.00 1.11 N ATOM 45 CA GLY A 4 -9.676 10.228 -5.687 1.00 0.88 C ATOM 46 C GLY A 4 -10.284 10.580 -4.330 1.00 0.61 C ATOM 47 O GLY A 4 -10.082 11.661 -3.815 1.00 0.68 O ATOM 0 H GLY A 4 -7.879 11.135 -6.397 1.00 1.11 H new ATOM 0 HA2 GLY A 4 -10.464 10.021 -6.411 1.00 0.88 H new ATOM 0 HA3 GLY A 4 -9.071 9.325 -5.607 1.00 0.88 H new ATOM 51 N SER A 5 -11.027 9.684 -3.740 1.00 0.45 N ATOM 52 CA SER A 5 -11.641 9.989 -2.413 1.00 0.31 C ATOM 53 C SER A 5 -10.642 9.639 -1.298 1.00 0.29 C ATOM 54 O SER A 5 -10.132 10.506 -0.617 1.00 0.32 O ATOM 55 CB SER A 5 -12.944 9.184 -2.259 1.00 0.51 C ATOM 56 OG SER A 5 -14.022 10.084 -2.033 1.00 1.56 O ATOM 0 H SER A 5 -11.236 8.759 -4.115 1.00 0.45 H new ATOM 0 HA SER A 5 -11.879 11.050 -2.343 1.00 0.31 H new ATOM 0 HB2 SER A 5 -13.129 8.593 -3.156 1.00 0.51 H new ATOM 0 HB3 SER A 5 -12.858 8.484 -1.428 1.00 0.51 H new ATOM 0 HG SER A 5 -14.856 9.578 -1.936 1.00 1.56 H new ATOM 62 N ASP A 6 -10.359 8.379 -1.108 1.00 0.25 N ATOM 63 CA ASP A 6 -9.394 7.982 -0.038 1.00 0.24 C ATOM 64 C ASP A 6 -8.857 6.565 -0.348 1.00 0.22 C ATOM 65 O ASP A 6 -9.209 5.611 0.318 1.00 0.20 O ATOM 66 CB ASP A 6 -10.121 8.022 1.337 1.00 0.25 C ATOM 67 CG ASP A 6 -9.590 9.181 2.196 1.00 1.29 C ATOM 68 OD1 ASP A 6 -9.244 10.204 1.630 1.00 1.96 O ATOM 69 OD2 ASP A 6 -9.540 9.021 3.405 1.00 2.10 O ATOM 0 H ASP A 6 -10.753 7.607 -1.646 1.00 0.25 H new ATOM 0 HA ASP A 6 -8.550 8.671 -0.002 1.00 0.24 H new ATOM 0 HB2 ASP A 6 -11.194 8.138 1.184 1.00 0.25 H new ATOM 0 HB3 ASP A 6 -9.974 7.077 1.860 1.00 0.25 H new ATOM 74 N PRO A 7 -8.025 6.459 -1.362 1.00 0.24 N ATOM 75 CA PRO A 7 -7.457 5.156 -1.755 1.00 0.23 C ATOM 76 C PRO A 7 -6.552 4.615 -0.625 1.00 0.22 C ATOM 77 O PRO A 7 -6.197 5.352 0.273 1.00 0.22 O ATOM 78 CB PRO A 7 -6.638 5.453 -3.037 1.00 0.28 C ATOM 79 CG PRO A 7 -6.784 6.973 -3.345 1.00 0.30 C ATOM 80 CD PRO A 7 -7.596 7.604 -2.193 1.00 0.29 C ATOM 0 HA PRO A 7 -8.219 4.398 -1.933 1.00 0.23 H new ATOM 0 HB2 PRO A 7 -5.590 5.190 -2.892 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.004 4.856 -3.872 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -5.804 7.444 -3.426 1.00 0.30 H new ATOM 0 HG3 PRO A 7 -7.290 7.124 -4.298 1.00 0.30 H new ATOM 0 HD2 PRO A 7 -6.989 8.304 -1.619 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -8.453 8.161 -2.572 1.00 0.29 H new ATOM 88 N PRO A 8 -6.191 3.348 -0.706 1.00 0.22 N ATOM 89 CA PRO A 8 -5.313 2.729 0.309 1.00 0.23 C ATOM 90 C PRO A 8 -3.950 3.440 0.313 1.00 0.24 C ATOM 91 O PRO A 8 -3.826 4.562 -0.136 1.00 0.24 O ATOM 92 CB PRO A 8 -5.174 1.251 -0.135 1.00 0.25 C ATOM 93 CG PRO A 8 -5.876 1.114 -1.517 1.00 0.26 C ATOM 94 CD PRO A 8 -6.618 2.442 -1.795 1.00 0.25 C ATOM 0 HA PRO A 8 -5.711 2.805 1.321 1.00 0.23 H new ATOM 0 HB2 PRO A 8 -4.124 0.969 -0.208 1.00 0.25 H new ATOM 0 HB3 PRO A 8 -5.633 0.585 0.596 1.00 0.25 H new ATOM 0 HG2 PRO A 8 -5.145 0.912 -2.300 1.00 0.26 H new ATOM 0 HG3 PRO A 8 -6.575 0.278 -1.511 1.00 0.26 H new ATOM 0 HD2 PRO A 8 -6.354 2.846 -2.772 1.00 0.25 H new ATOM 0 HD3 PRO A 8 -7.699 2.300 -1.791 1.00 0.25 H new ATOM 102 N THR A 9 -2.927 2.794 0.812 1.00 0.25 N ATOM 103 CA THR A 9 -1.578 3.432 0.837 1.00 0.26 C ATOM 104 C THR A 9 -0.499 2.351 0.866 1.00 0.26 C ATOM 105 O THR A 9 -0.505 1.473 1.706 1.00 0.27 O ATOM 106 CB THR A 9 -1.449 4.310 2.081 1.00 0.27 C ATOM 107 OG1 THR A 9 -2.610 5.118 2.210 1.00 0.26 O ATOM 108 CG2 THR A 9 -0.211 5.204 1.956 1.00 0.30 C ATOM 0 H THR A 9 -2.968 1.853 1.203 1.00 0.25 H new ATOM 0 HA THR A 9 -1.454 4.045 -0.056 1.00 0.26 H new ATOM 0 HB THR A 9 -1.346 3.677 2.963 1.00 0.27 H new ATOM 0 HG1 THR A 9 -2.585 5.593 3.067 1.00 0.26 H new ATOM 0 HG21 THR A 9 -0.122 5.829 2.845 1.00 0.30 H new ATOM 0 HG22 THR A 9 0.679 4.582 1.859 1.00 0.30 H new ATOM 0 HG23 THR A 9 -0.308 5.838 1.075 1.00 0.30 H new ATOM 116 N ALA A 10 0.426 2.412 -0.049 1.00 0.25 N ATOM 117 CA ALA A 10 1.511 1.396 -0.086 1.00 0.24 C ATOM 118 C ALA A 10 2.432 1.578 1.123 1.00 0.24 C ATOM 119 O ALA A 10 3.481 2.184 1.028 1.00 0.23 O ATOM 120 CB ALA A 10 2.320 1.574 -1.371 1.00 0.24 C ATOM 0 H ALA A 10 0.477 3.126 -0.776 1.00 0.25 H new ATOM 0 HA ALA A 10 1.075 0.397 -0.058 1.00 0.24 H new ATOM 0 HB1 ALA A 10 3.118 0.832 -1.405 1.00 0.24 H new ATOM 0 HB2 ALA A 10 1.666 1.443 -2.233 1.00 0.24 H new ATOM 0 HB3 ALA A 10 2.754 2.574 -1.392 1.00 0.24 H new ATOM 126 N CYS A 11 2.050 1.045 2.256 1.00 0.24 N ATOM 127 CA CYS A 11 2.898 1.165 3.484 1.00 0.24 C ATOM 128 C CYS A 11 3.502 -0.206 3.792 1.00 0.23 C ATOM 129 O CYS A 11 2.842 -1.221 3.690 1.00 0.25 O ATOM 130 CB CYS A 11 2.031 1.619 4.663 1.00 0.24 C ATOM 131 SG CYS A 11 1.145 3.136 4.217 1.00 0.25 S ATOM 0 H CYS A 11 1.180 0.528 2.385 1.00 0.24 H new ATOM 0 HA CYS A 11 3.690 1.896 3.322 1.00 0.24 H new ATOM 0 HB2 CYS A 11 1.321 0.836 4.928 1.00 0.24 H new ATOM 0 HB3 CYS A 11 2.654 1.794 5.540 1.00 0.24 H new ATOM 136 N CYS A 12 4.754 -0.249 4.155 1.00 0.21 N ATOM 137 CA CYS A 12 5.392 -1.561 4.457 1.00 0.21 C ATOM 138 C CYS A 12 4.870 -2.089 5.793 1.00 0.22 C ATOM 139 O CYS A 12 4.662 -1.344 6.729 1.00 0.25 O ATOM 140 CB CYS A 12 6.912 -1.388 4.535 1.00 0.19 C ATOM 141 SG CYS A 12 7.548 -0.879 2.919 1.00 0.20 S ATOM 0 H CYS A 12 5.361 0.564 4.255 1.00 0.21 H new ATOM 0 HA CYS A 12 5.148 -2.271 3.666 1.00 0.21 H new ATOM 0 HB2 CYS A 12 7.165 -0.642 5.288 1.00 0.19 H new ATOM 0 HB3 CYS A 12 7.379 -2.323 4.843 1.00 0.19 H new ATOM 146 N PHE A 13 4.667 -3.378 5.890 1.00 0.21 N ATOM 147 CA PHE A 13 4.167 -3.979 7.164 1.00 0.22 C ATOM 148 C PHE A 13 5.348 -4.620 7.893 1.00 0.20 C ATOM 149 O PHE A 13 5.305 -4.873 9.081 1.00 0.21 O ATOM 150 CB PHE A 13 3.125 -5.054 6.842 1.00 0.24 C ATOM 151 CG PHE A 13 3.790 -6.197 6.112 1.00 0.24 C ATOM 152 CD1 PHE A 13 4.097 -6.073 4.744 1.00 0.24 C ATOM 153 CD2 PHE A 13 4.111 -7.382 6.803 1.00 0.26 C ATOM 154 CE1 PHE A 13 4.724 -7.135 4.066 1.00 0.26 C ATOM 155 CE2 PHE A 13 4.738 -8.444 6.124 1.00 0.28 C ATOM 156 CZ PHE A 13 5.045 -8.320 4.755 1.00 0.28 C ATOM 0 H PHE A 13 4.827 -4.045 5.135 1.00 0.21 H new ATOM 0 HA PHE A 13 3.712 -3.211 7.789 1.00 0.22 H new ATOM 0 HB2 PHE A 13 2.663 -5.415 7.761 1.00 0.24 H new ATOM 0 HB3 PHE A 13 2.328 -4.632 6.230 1.00 0.24 H new ATOM 0 HD1 PHE A 13 3.852 -5.164 4.215 1.00 0.24 H new ATOM 0 HD2 PHE A 13 3.876 -7.476 7.853 1.00 0.26 H new ATOM 0 HE1 PHE A 13 4.959 -7.041 3.016 1.00 0.26 H new ATOM 0 HE2 PHE A 13 4.983 -9.353 6.653 1.00 0.28 H new ATOM 0 HZ PHE A 13 5.527 -9.134 4.234 1.00 0.28 H new ATOM 166 N SER A 14 6.407 -4.878 7.176 1.00 0.17 N ATOM 167 CA SER A 14 7.610 -5.498 7.792 1.00 0.16 C ATOM 168 C SER A 14 8.830 -5.147 6.942 1.00 0.15 C ATOM 169 O SER A 14 8.851 -4.141 6.261 1.00 0.14 O ATOM 170 CB SER A 14 7.437 -7.016 7.839 1.00 0.16 C ATOM 171 OG SER A 14 7.257 -7.511 6.518 1.00 0.19 O ATOM 0 H SER A 14 6.489 -4.683 6.178 1.00 0.17 H new ATOM 0 HA SER A 14 7.744 -5.124 8.807 1.00 0.16 H new ATOM 0 HB2 SER A 14 8.311 -7.479 8.297 1.00 0.16 H new ATOM 0 HB3 SER A 14 6.578 -7.276 8.457 1.00 0.16 H new ATOM 0 HG SER A 14 6.306 -7.479 6.283 1.00 0.19 H new ATOM 177 N TYR A 15 9.852 -5.959 6.973 1.00 0.18 N ATOM 178 CA TYR A 15 11.070 -5.656 6.163 1.00 0.19 C ATOM 179 C TYR A 15 11.804 -6.960 5.852 1.00 0.24 C ATOM 180 O TYR A 15 11.587 -7.969 6.493 1.00 0.30 O ATOM 181 CB TYR A 15 11.994 -4.726 6.958 1.00 0.21 C ATOM 182 CG TYR A 15 11.165 -3.702 7.695 1.00 0.20 C ATOM 183 CD1 TYR A 15 10.690 -3.987 8.989 1.00 0.23 C ATOM 184 CD2 TYR A 15 10.862 -2.470 7.088 1.00 0.18 C ATOM 185 CE1 TYR A 15 9.913 -3.037 9.679 1.00 0.24 C ATOM 186 CE2 TYR A 15 10.083 -1.520 7.778 1.00 0.20 C ATOM 187 CZ TYR A 15 9.609 -1.803 9.073 1.00 0.22 C ATOM 188 OH TYR A 15 8.846 -0.870 9.748 1.00 0.26 O ATOM 0 H TYR A 15 9.898 -6.817 7.522 1.00 0.18 H new ATOM 0 HA TYR A 15 10.780 -5.168 5.233 1.00 0.19 H new ATOM 0 HB2 TYR A 15 12.589 -5.304 7.665 1.00 0.21 H new ATOM 0 HB3 TYR A 15 12.693 -4.228 6.285 1.00 0.21 H new ATOM 0 HD1 TYR A 15 10.922 -4.935 9.453 1.00 0.23 H new ATOM 0 HD2 TYR A 15 11.226 -2.252 6.095 1.00 0.18 H new ATOM 0 HE1 TYR A 15 9.550 -3.255 10.673 1.00 0.24 H new ATOM 0 HE2 TYR A 15 9.849 -0.574 7.313 1.00 0.20 H new ATOM 0 HH TYR A 15 8.731 -0.074 9.188 1.00 0.26 H new ATOM 198 N THR A 16 12.681 -6.951 4.883 1.00 0.22 N ATOM 199 CA THR A 16 13.428 -8.199 4.563 1.00 0.28 C ATOM 200 C THR A 16 14.224 -8.615 5.805 1.00 0.33 C ATOM 201 O THR A 16 13.880 -8.253 6.912 1.00 0.37 O ATOM 202 CB THR A 16 14.360 -7.961 3.366 1.00 0.27 C ATOM 203 OG1 THR A 16 15.125 -9.131 3.116 1.00 0.36 O ATOM 204 CG2 THR A 16 15.298 -6.788 3.650 1.00 0.26 C ATOM 0 H THR A 16 12.910 -6.142 4.306 1.00 0.22 H new ATOM 0 HA THR A 16 12.737 -8.997 4.291 1.00 0.28 H new ATOM 0 HB THR A 16 13.755 -7.726 2.490 1.00 0.27 H new ATOM 0 HG1 THR A 16 15.718 -8.977 2.351 1.00 0.36 H new ATOM 0 HG21 THR A 16 15.953 -6.630 2.793 1.00 0.26 H new ATOM 0 HG22 THR A 16 14.711 -5.887 3.828 1.00 0.26 H new ATOM 0 HG23 THR A 16 15.900 -7.009 4.531 1.00 0.26 H new ATOM 212 N ALA A 17 15.275 -9.376 5.648 1.00 0.38 N ATOM 213 CA ALA A 17 16.066 -9.807 6.843 1.00 0.45 C ATOM 214 C ALA A 17 17.551 -9.891 6.485 1.00 0.48 C ATOM 215 O ALA A 17 18.371 -10.261 7.301 1.00 0.63 O ATOM 216 CB ALA A 17 15.574 -11.184 7.298 1.00 0.53 C ATOM 0 H ALA A 17 15.620 -9.717 4.751 1.00 0.38 H new ATOM 0 HA ALA A 17 15.934 -9.081 7.645 1.00 0.45 H new ATOM 0 HB1 ALA A 17 16.146 -11.505 8.169 1.00 0.53 H new ATOM 0 HB2 ALA A 17 14.517 -11.125 7.559 1.00 0.53 H new ATOM 0 HB3 ALA A 17 15.708 -11.903 6.490 1.00 0.53 H new ATOM 222 N ARG A 18 17.904 -9.544 5.272 1.00 0.47 N ATOM 223 CA ARG A 18 19.338 -9.601 4.849 1.00 0.48 C ATOM 224 C ARG A 18 19.671 -8.352 4.029 1.00 0.40 C ATOM 225 O ARG A 18 18.903 -7.928 3.190 1.00 0.36 O ATOM 226 CB ARG A 18 19.557 -10.851 3.989 1.00 0.53 C ATOM 227 CG ARG A 18 19.562 -12.121 4.886 1.00 0.71 C ATOM 228 CD ARG A 18 18.855 -13.292 4.189 1.00 1.17 C ATOM 229 NE ARG A 18 19.754 -13.872 3.151 1.00 1.90 N ATOM 230 CZ ARG A 18 19.470 -15.026 2.617 1.00 2.49 C ATOM 231 NH1 ARG A 18 18.372 -15.646 2.953 1.00 2.62 N ATOM 232 NH2 ARG A 18 20.277 -15.557 1.742 1.00 3.48 N ATOM 0 H ARG A 18 17.257 -9.222 4.552 1.00 0.47 H new ATOM 0 HA ARG A 18 19.983 -9.643 5.727 1.00 0.48 H new ATOM 0 HB2 ARG A 18 18.770 -10.929 3.239 1.00 0.53 H new ATOM 0 HB3 ARG A 18 20.502 -10.772 3.452 1.00 0.53 H new ATOM 0 HG2 ARG A 18 20.589 -12.400 5.121 1.00 0.71 H new ATOM 0 HG3 ARG A 18 19.066 -11.904 5.832 1.00 0.71 H new ATOM 0 HD2 ARG A 18 18.587 -14.055 4.920 1.00 1.17 H new ATOM 0 HD3 ARG A 18 17.927 -12.949 3.731 1.00 1.17 H new ATOM 0 HE ARG A 18 20.590 -13.366 2.859 1.00 1.90 H new ATOM 0 HH11 ARG A 18 17.737 -15.227 3.633 1.00 2.62 H new ATOM 0 HH12 ARG A 18 18.148 -16.549 2.536 1.00 2.62 H new ATOM 0 HH21 ARG A 18 21.132 -15.069 1.475 1.00 3.48 H new ATOM 0 HH22 ARG A 18 20.054 -16.460 1.325 1.00 3.48 H new ATOM 246 N LYS A 19 20.810 -7.760 4.265 1.00 0.39 N ATOM 247 CA LYS A 19 21.185 -6.540 3.497 1.00 0.34 C ATOM 248 C LYS A 19 21.355 -6.900 2.022 1.00 0.29 C ATOM 249 O LYS A 19 22.048 -7.833 1.671 1.00 0.31 O ATOM 250 CB LYS A 19 22.503 -5.968 4.052 1.00 0.39 C ATOM 251 CG LYS A 19 22.936 -4.712 3.256 1.00 0.43 C ATOM 252 CD LYS A 19 24.458 -4.491 3.338 1.00 0.66 C ATOM 253 CE LYS A 19 24.979 -4.698 4.770 1.00 0.85 C ATOM 254 NZ LYS A 19 25.381 -6.125 4.944 1.00 1.74 N ATOM 0 H LYS A 19 21.495 -8.068 4.955 1.00 0.39 H new ATOM 0 HA LYS A 19 20.400 -5.790 3.595 1.00 0.34 H new ATOM 0 HB2 LYS A 19 22.379 -5.712 5.104 1.00 0.39 H new ATOM 0 HB3 LYS A 19 23.285 -6.726 3.998 1.00 0.39 H new ATOM 0 HG2 LYS A 19 22.638 -4.820 2.213 1.00 0.43 H new ATOM 0 HG3 LYS A 19 22.418 -3.836 3.646 1.00 0.43 H new ATOM 0 HD2 LYS A 19 24.964 -5.180 2.662 1.00 0.66 H new ATOM 0 HD3 LYS A 19 24.699 -3.482 3.004 1.00 0.66 H new ATOM 0 HE2 LYS A 19 25.829 -4.043 4.959 1.00 0.85 H new ATOM 0 HE3 LYS A 19 24.207 -4.434 5.493 1.00 0.85 H new ATOM 0 HZ1 LYS A 19 24.701 -6.604 5.568 1.00 1.74 H new ATOM 0 HZ2 LYS A 19 25.393 -6.598 4.018 1.00 1.74 H new ATOM 0 HZ3 LYS A 19 26.330 -6.169 5.367 1.00 1.74 H new ATOM 268 N LEU A 20 20.742 -6.143 1.156 1.00 0.25 N ATOM 269 CA LEU A 20 20.881 -6.410 -0.297 1.00 0.24 C ATOM 270 C LEU A 20 22.276 -5.921 -0.743 1.00 0.26 C ATOM 271 O LEU A 20 22.569 -4.755 -0.564 1.00 0.26 O ATOM 272 CB LEU A 20 19.819 -5.615 -1.068 1.00 0.23 C ATOM 273 CG LEU A 20 18.463 -5.687 -0.360 1.00 0.20 C ATOM 274 CD1 LEU A 20 17.465 -4.827 -1.134 1.00 0.20 C ATOM 275 CD2 LEU A 20 17.956 -7.132 -0.326 1.00 0.24 C ATOM 0 H LEU A 20 20.149 -5.348 1.396 1.00 0.25 H new ATOM 0 HA LEU A 20 20.758 -7.475 -0.494 1.00 0.24 H new ATOM 0 HB2 LEU A 20 20.132 -4.575 -1.158 1.00 0.23 H new ATOM 0 HB3 LEU A 20 19.727 -6.009 -2.080 1.00 0.23 H new ATOM 0 HG LEU A 20 18.570 -5.327 0.663 1.00 0.20 H new ATOM 0 HD11 LEU A 20 16.493 -4.867 -0.643 1.00 0.20 H new ATOM 0 HD12 LEU A 20 17.817 -3.796 -1.160 1.00 0.20 H new ATOM 0 HD13 LEU A 20 17.373 -5.204 -2.153 1.00 0.20 H new ATOM 0 HD21 LEU A 20 16.991 -7.167 0.180 1.00 0.24 H new ATOM 0 HD22 LEU A 20 17.845 -7.503 -1.345 1.00 0.24 H new ATOM 0 HD23 LEU A 20 18.671 -7.756 0.211 1.00 0.24 H new ATOM 287 N PRO A 21 23.109 -6.772 -1.313 1.00 0.30 N ATOM 288 CA PRO A 21 24.439 -6.318 -1.754 1.00 0.34 C ATOM 289 C PRO A 21 24.279 -5.137 -2.711 1.00 0.30 C ATOM 290 O PRO A 21 23.367 -5.100 -3.509 1.00 0.29 O ATOM 291 CB PRO A 21 25.063 -7.535 -2.471 1.00 0.40 C ATOM 292 CG PRO A 21 24.102 -8.740 -2.259 1.00 0.41 C ATOM 293 CD PRO A 21 22.830 -8.205 -1.566 1.00 0.34 C ATOM 0 HA PRO A 21 25.068 -5.981 -0.930 1.00 0.34 H new ATOM 0 HB2 PRO A 21 25.193 -7.330 -3.534 1.00 0.40 H new ATOM 0 HB3 PRO A 21 26.051 -7.755 -2.065 1.00 0.40 H new ATOM 0 HG2 PRO A 21 23.852 -9.203 -3.213 1.00 0.41 H new ATOM 0 HG3 PRO A 21 24.578 -9.507 -1.647 1.00 0.41 H new ATOM 0 HD2 PRO A 21 21.952 -8.331 -2.200 1.00 0.34 H new ATOM 0 HD3 PRO A 21 22.632 -8.739 -0.637 1.00 0.34 H new ATOM 301 N ARG A 22 25.164 -4.181 -2.654 1.00 0.31 N ATOM 302 CA ARG A 22 25.060 -3.021 -3.584 1.00 0.30 C ATOM 303 C ARG A 22 24.883 -3.563 -5.004 1.00 0.32 C ATOM 304 O ARG A 22 24.272 -2.947 -5.855 1.00 0.32 O ATOM 305 CB ARG A 22 26.342 -2.189 -3.498 1.00 0.34 C ATOM 306 CG ARG A 22 26.134 -0.822 -4.162 1.00 0.59 C ATOM 307 CD ARG A 22 27.328 0.085 -3.844 1.00 1.27 C ATOM 308 NE ARG A 22 26.988 1.511 -4.161 1.00 1.33 N ATOM 309 CZ ARG A 22 26.601 1.874 -5.356 1.00 2.02 C ATOM 310 NH1 ARG A 22 26.667 1.038 -6.357 1.00 2.86 N ATOM 311 NH2 ARG A 22 26.200 3.100 -5.562 1.00 2.33 N ATOM 0 H ARG A 22 25.952 -4.152 -2.007 1.00 0.31 H new ATOM 0 HA ARG A 22 24.212 -2.390 -3.318 1.00 0.30 H new ATOM 0 HB2 ARG A 22 26.627 -2.055 -2.455 1.00 0.34 H new ATOM 0 HB3 ARG A 22 27.160 -2.718 -3.987 1.00 0.34 H new ATOM 0 HG2 ARG A 22 26.031 -0.941 -5.241 1.00 0.59 H new ATOM 0 HG3 ARG A 22 25.211 -0.367 -3.802 1.00 0.59 H new ATOM 0 HD2 ARG A 22 27.596 -0.008 -2.792 1.00 1.27 H new ATOM 0 HD3 ARG A 22 28.197 -0.228 -4.423 1.00 1.27 H new ATOM 0 HE ARG A 22 27.060 2.215 -3.426 1.00 1.33 H new ATOM 0 HH11 ARG A 22 27.023 0.093 -6.210 1.00 2.86 H new ATOM 0 HH12 ARG A 22 26.363 1.330 -7.286 1.00 2.86 H new ATOM 0 HH21 ARG A 22 26.190 3.769 -4.792 1.00 2.33 H new ATOM 0 HH22 ARG A 22 25.897 3.388 -6.492 1.00 2.33 H new ATOM 325 N ASN A 23 25.419 -4.729 -5.248 1.00 0.34 N ATOM 326 CA ASN A 23 25.304 -5.358 -6.594 1.00 0.38 C ATOM 327 C ASN A 23 23.868 -5.870 -6.797 1.00 0.36 C ATOM 328 O ASN A 23 23.595 -6.637 -7.699 1.00 0.39 O ATOM 329 CB ASN A 23 26.307 -6.531 -6.673 1.00 0.43 C ATOM 330 CG ASN A 23 26.872 -6.686 -8.092 1.00 1.47 C ATOM 331 OD1 ASN A 23 26.699 -5.824 -8.935 1.00 2.11 O ATOM 332 ND2 ASN A 23 27.550 -7.759 -8.390 1.00 2.42 N ATOM 0 H ASN A 23 25.938 -5.278 -4.563 1.00 0.34 H new ATOM 0 HA ASN A 23 25.529 -4.632 -7.375 1.00 0.38 H new ATOM 0 HB2 ASN A 23 27.123 -6.363 -5.971 1.00 0.43 H new ATOM 0 HB3 ASN A 23 25.814 -7.455 -6.373 1.00 0.43 H new ATOM 0 HD21 ASN A 23 27.934 -7.875 -9.328 1.00 2.42 H new ATOM 0 HD22 ASN A 23 27.696 -8.482 -7.686 1.00 2.42 H new ATOM 339 N PHE A 24 22.955 -5.460 -5.953 1.00 0.33 N ATOM 340 CA PHE A 24 21.537 -5.931 -6.073 1.00 0.32 C ATOM 341 C PHE A 24 20.598 -4.757 -5.775 1.00 0.28 C ATOM 342 O PHE A 24 19.493 -4.937 -5.303 1.00 0.27 O ATOM 343 CB PHE A 24 21.304 -7.058 -5.049 1.00 0.31 C ATOM 344 CG PHE A 24 20.123 -7.924 -5.449 1.00 0.33 C ATOM 345 CD1 PHE A 24 20.132 -8.615 -6.680 1.00 0.36 C ATOM 346 CD2 PHE A 24 19.017 -8.054 -4.582 1.00 0.32 C ATOM 347 CE1 PHE A 24 19.040 -9.429 -7.038 1.00 0.39 C ATOM 348 CE2 PHE A 24 17.926 -8.866 -4.944 1.00 0.34 C ATOM 349 CZ PHE A 24 17.937 -9.552 -6.170 1.00 0.38 C ATOM 0 H PHE A 24 23.130 -4.816 -5.181 1.00 0.33 H new ATOM 0 HA PHE A 24 21.342 -6.304 -7.078 1.00 0.32 H new ATOM 0 HB2 PHE A 24 22.200 -7.673 -4.971 1.00 0.31 H new ATOM 0 HB3 PHE A 24 21.126 -6.627 -4.064 1.00 0.31 H new ATOM 0 HD1 PHE A 24 20.976 -8.519 -7.347 1.00 0.36 H new ATOM 0 HD2 PHE A 24 19.008 -7.529 -3.638 1.00 0.32 H new ATOM 0 HE1 PHE A 24 19.048 -9.959 -7.979 1.00 0.39 H new ATOM 0 HE2 PHE A 24 17.080 -8.962 -4.279 1.00 0.34 H new ATOM 0 HZ PHE A 24 17.099 -10.174 -6.447 1.00 0.38 H new ATOM 359 N VAL A 25 21.036 -3.553 -6.044 1.00 0.28 N ATOM 360 CA VAL A 25 20.182 -2.357 -5.772 1.00 0.26 C ATOM 361 C VAL A 25 20.483 -1.271 -6.808 1.00 0.29 C ATOM 362 O VAL A 25 21.402 -0.490 -6.654 1.00 0.30 O ATOM 363 CB VAL A 25 20.496 -1.818 -4.368 1.00 0.23 C ATOM 364 CG1 VAL A 25 19.530 -0.658 -4.004 1.00 0.21 C ATOM 365 CG2 VAL A 25 20.357 -2.960 -3.349 1.00 0.21 C ATOM 0 H VAL A 25 21.952 -3.346 -6.442 1.00 0.28 H new ATOM 0 HA VAL A 25 19.131 -2.638 -5.832 1.00 0.26 H new ATOM 0 HB VAL A 25 21.515 -1.432 -4.350 1.00 0.23 H new ATOM 0 HG11 VAL A 25 19.766 -0.288 -3.006 1.00 0.21 H new ATOM 0 HG12 VAL A 25 19.643 0.150 -4.727 1.00 0.21 H new ATOM 0 HG13 VAL A 25 18.502 -1.021 -4.023 1.00 0.21 H new ATOM 0 HG21 VAL A 25 20.578 -2.585 -2.350 1.00 0.21 H new ATOM 0 HG22 VAL A 25 19.339 -3.348 -3.374 1.00 0.21 H new ATOM 0 HG23 VAL A 25 21.055 -3.758 -3.600 1.00 0.21 H new ATOM 375 N VAL A 26 19.717 -1.217 -7.867 1.00 0.31 N ATOM 376 CA VAL A 26 19.955 -0.186 -8.920 1.00 0.35 C ATOM 377 C VAL A 26 19.166 1.080 -8.594 1.00 0.34 C ATOM 378 O VAL A 26 19.372 2.118 -9.191 1.00 0.36 O ATOM 379 CB VAL A 26 19.489 -0.729 -10.271 1.00 0.39 C ATOM 380 CG1 VAL A 26 20.340 -1.941 -10.655 1.00 0.85 C ATOM 381 CG2 VAL A 26 18.016 -1.143 -10.180 1.00 0.66 C ATOM 0 H VAL A 26 18.934 -1.845 -8.048 1.00 0.31 H new ATOM 0 HA VAL A 26 21.019 0.049 -8.958 1.00 0.35 H new ATOM 0 HB VAL A 26 19.599 0.046 -11.030 1.00 0.39 H new ATOM 0 HG11 VAL A 26 20.008 -2.328 -11.618 1.00 0.85 H new ATOM 0 HG12 VAL A 26 21.386 -1.644 -10.725 1.00 0.85 H new ATOM 0 HG13 VAL A 26 20.233 -2.716 -9.896 1.00 0.85 H new ATOM 0 HG21 VAL A 26 17.686 -1.530 -11.144 1.00 0.66 H new ATOM 0 HG22 VAL A 26 17.902 -1.917 -9.421 1.00 0.66 H new ATOM 0 HG23 VAL A 26 17.411 -0.278 -9.910 1.00 0.66 H new ATOM 391 N ASP A 27 18.260 1.010 -7.660 1.00 0.31 N ATOM 392 CA ASP A 27 17.463 2.219 -7.320 1.00 0.30 C ATOM 393 C ASP A 27 16.663 1.960 -6.049 1.00 0.26 C ATOM 394 O ASP A 27 16.821 0.945 -5.400 1.00 0.24 O ATOM 395 CB ASP A 27 16.498 2.529 -8.467 1.00 0.34 C ATOM 396 CG ASP A 27 15.932 3.938 -8.291 1.00 0.34 C ATOM 397 OD1 ASP A 27 16.703 4.831 -7.980 1.00 1.02 O ATOM 398 OD2 ASP A 27 14.736 4.102 -8.470 1.00 1.06 O ATOM 0 H ASP A 27 18.038 0.173 -7.121 1.00 0.31 H new ATOM 0 HA ASP A 27 18.134 3.064 -7.164 1.00 0.30 H new ATOM 0 HB2 ASP A 27 17.016 2.450 -9.423 1.00 0.34 H new ATOM 0 HB3 ASP A 27 15.688 1.800 -8.482 1.00 0.34 H new ATOM 403 N TYR A 28 15.801 2.869 -5.687 1.00 0.26 N ATOM 404 CA TYR A 28 14.989 2.668 -4.460 1.00 0.22 C ATOM 405 C TYR A 28 13.715 3.503 -4.533 1.00 0.24 C ATOM 406 O TYR A 28 13.435 4.162 -5.514 1.00 0.28 O ATOM 407 CB TYR A 28 15.802 3.053 -3.219 1.00 0.19 C ATOM 408 CG TYR A 28 15.929 4.559 -3.099 1.00 0.20 C ATOM 409 CD1 TYR A 28 16.606 5.294 -4.093 1.00 0.24 C ATOM 410 CD2 TYR A 28 15.386 5.224 -1.981 1.00 0.19 C ATOM 411 CE1 TYR A 28 16.735 6.690 -3.971 1.00 0.26 C ATOM 412 CE2 TYR A 28 15.517 6.618 -1.856 1.00 0.22 C ATOM 413 CZ TYR A 28 16.192 7.354 -2.851 1.00 0.25 C ATOM 414 OH TYR A 28 16.322 8.723 -2.731 1.00 0.28 O ATOM 0 H TYR A 28 15.626 3.740 -6.188 1.00 0.26 H new ATOM 0 HA TYR A 28 14.716 1.615 -4.387 1.00 0.22 H new ATOM 0 HB2 TYR A 28 15.321 2.653 -2.326 1.00 0.19 H new ATOM 0 HB3 TYR A 28 16.794 2.604 -3.276 1.00 0.19 H new ATOM 0 HD1 TYR A 28 17.026 4.786 -4.948 1.00 0.24 H new ATOM 0 HD2 TYR A 28 14.868 4.661 -1.219 1.00 0.19 H new ATOM 0 HE1 TYR A 28 17.250 7.253 -4.735 1.00 0.26 H new ATOM 0 HE2 TYR A 28 15.101 7.125 -0.998 1.00 0.22 H new ATOM 0 HH TYR A 28 15.891 9.021 -1.903 1.00 0.28 H new ATOM 424 N TYR A 29 12.940 3.457 -3.496 1.00 0.21 N ATOM 425 CA TYR A 29 11.666 4.214 -3.465 1.00 0.24 C ATOM 426 C TYR A 29 11.236 4.358 -2.001 1.00 0.21 C ATOM 427 O TYR A 29 11.416 3.458 -1.211 1.00 0.21 O ATOM 428 CB TYR A 29 10.625 3.421 -4.275 1.00 0.27 C ATOM 429 CG TYR A 29 9.220 3.843 -3.906 1.00 0.29 C ATOM 430 CD1 TYR A 29 8.772 5.135 -4.227 1.00 0.35 C ATOM 431 CD2 TYR A 29 8.364 2.941 -3.244 1.00 0.32 C ATOM 432 CE1 TYR A 29 7.464 5.531 -3.885 1.00 0.37 C ATOM 433 CE2 TYR A 29 7.056 3.335 -2.902 1.00 0.34 C ATOM 434 CZ TYR A 29 6.606 4.631 -3.222 1.00 0.33 C ATOM 435 OH TYR A 29 5.323 5.017 -2.886 1.00 0.36 O ATOM 0 H TYR A 29 13.138 2.918 -2.653 1.00 0.21 H new ATOM 0 HA TYR A 29 11.770 5.208 -3.900 1.00 0.24 H new ATOM 0 HB2 TYR A 29 10.789 3.580 -5.341 1.00 0.27 H new ATOM 0 HB3 TYR A 29 10.749 2.354 -4.089 1.00 0.27 H new ATOM 0 HD1 TYR A 29 9.430 5.824 -4.736 1.00 0.35 H new ATOM 0 HD2 TYR A 29 8.711 1.948 -2.999 1.00 0.32 H new ATOM 0 HE1 TYR A 29 7.119 6.524 -4.131 1.00 0.37 H new ATOM 0 HE2 TYR A 29 6.399 2.644 -2.395 1.00 0.34 H new ATOM 0 HH TYR A 29 4.866 4.276 -2.435 1.00 0.36 H new ATOM 445 N GLU A 30 10.680 5.479 -1.627 1.00 0.21 N ATOM 446 CA GLU A 30 10.247 5.663 -0.205 1.00 0.19 C ATOM 447 C GLU A 30 8.743 5.393 -0.098 1.00 0.19 C ATOM 448 O GLU A 30 8.009 5.526 -1.057 1.00 0.21 O ATOM 449 CB GLU A 30 10.548 7.097 0.237 1.00 0.20 C ATOM 450 CG GLU A 30 12.045 7.244 0.520 1.00 0.22 C ATOM 451 CD GLU A 30 12.409 8.727 0.597 1.00 0.77 C ATOM 452 OE1 GLU A 30 11.510 9.545 0.489 1.00 1.41 O ATOM 453 OE2 GLU A 30 13.582 9.022 0.762 1.00 1.53 O ATOM 0 H GLU A 30 10.506 6.275 -2.240 1.00 0.21 H new ATOM 0 HA GLU A 30 10.787 4.968 0.438 1.00 0.19 H new ATOM 0 HB2 GLU A 30 10.244 7.799 -0.539 1.00 0.20 H new ATOM 0 HB3 GLU A 30 9.973 7.341 1.130 1.00 0.20 H new ATOM 0 HG2 GLU A 30 12.299 6.748 1.457 1.00 0.22 H new ATOM 0 HG3 GLU A 30 12.623 6.757 -0.265 1.00 0.22 H new ATOM 460 N THR A 31 8.280 5.007 1.060 1.00 0.18 N ATOM 461 CA THR A 31 6.825 4.717 1.228 1.00 0.19 C ATOM 462 C THR A 31 6.024 6.019 1.216 1.00 0.20 C ATOM 463 O THR A 31 6.524 7.069 0.866 1.00 0.22 O ATOM 464 CB THR A 31 6.603 4.010 2.568 1.00 0.19 C ATOM 465 OG1 THR A 31 7.272 4.736 3.583 1.00 0.20 O ATOM 466 CG2 THR A 31 7.154 2.583 2.497 1.00 0.19 C ATOM 0 H THR A 31 8.846 4.879 1.899 1.00 0.18 H new ATOM 0 HA THR A 31 6.493 4.082 0.407 1.00 0.19 H new ATOM 0 HB THR A 31 5.537 3.964 2.791 1.00 0.19 H new ATOM 0 HG1 THR A 31 7.511 5.625 3.246 1.00 0.20 H new ATOM 0 HG21 THR A 31 6.994 2.083 3.452 1.00 0.19 H new ATOM 0 HG22 THR A 31 6.639 2.033 1.709 1.00 0.19 H new ATOM 0 HG23 THR A 31 8.221 2.616 2.279 1.00 0.19 H new ATOM 474 N SER A 32 4.778 5.949 1.599 1.00 0.21 N ATOM 475 CA SER A 32 3.925 7.169 1.617 1.00 0.23 C ATOM 476 C SER A 32 4.157 7.935 2.923 1.00 0.23 C ATOM 477 O SER A 32 5.244 7.946 3.466 1.00 0.25 O ATOM 478 CB SER A 32 2.451 6.755 1.500 1.00 0.24 C ATOM 479 OG SER A 32 1.735 7.767 0.806 1.00 1.21 O ATOM 0 H SER A 32 4.313 5.093 1.902 1.00 0.21 H new ATOM 0 HA SER A 32 4.183 7.815 0.778 1.00 0.23 H new ATOM 0 HB2 SER A 32 2.368 5.806 0.970 1.00 0.24 H new ATOM 0 HB3 SER A 32 2.023 6.605 2.491 1.00 0.24 H new ATOM 0 HG SER A 32 0.806 7.783 1.117 1.00 1.21 H new ATOM 485 N SER A 33 3.138 8.576 3.426 1.00 0.23 N ATOM 486 CA SER A 33 3.274 9.350 4.698 1.00 0.24 C ATOM 487 C SER A 33 2.010 9.161 5.529 1.00 0.24 C ATOM 488 O SER A 33 2.049 9.116 6.743 1.00 0.24 O ATOM 489 CB SER A 33 3.434 10.830 4.367 1.00 0.25 C ATOM 490 OG SER A 33 2.155 11.393 4.109 1.00 0.26 O ATOM 0 H SER A 33 2.208 8.598 3.008 1.00 0.23 H new ATOM 0 HA SER A 33 4.143 8.999 5.255 1.00 0.24 H new ATOM 0 HB2 SER A 33 3.913 11.351 5.196 1.00 0.25 H new ATOM 0 HB3 SER A 33 4.080 10.953 3.498 1.00 0.25 H new ATOM 0 HG SER A 33 2.253 12.345 3.897 1.00 0.26 H new ATOM 496 N LEU A 34 0.888 9.055 4.869 1.00 0.25 N ATOM 497 CA LEU A 34 -0.412 8.871 5.583 1.00 0.25 C ATOM 498 C LEU A 34 -0.239 7.896 6.751 1.00 0.25 C ATOM 499 O LEU A 34 -0.536 8.211 7.886 1.00 0.26 O ATOM 500 CB LEU A 34 -1.450 8.299 4.613 1.00 0.26 C ATOM 501 CG LEU A 34 -1.382 9.030 3.269 1.00 0.26 C ATOM 502 CD1 LEU A 34 -2.518 8.536 2.366 1.00 0.27 C ATOM 503 CD2 LEU A 34 -1.518 10.544 3.494 1.00 0.26 C ATOM 0 H LEU A 34 0.815 9.088 3.852 1.00 0.25 H new ATOM 0 HA LEU A 34 -0.744 9.837 5.962 1.00 0.25 H new ATOM 0 HB2 LEU A 34 -1.271 7.234 4.465 1.00 0.26 H new ATOM 0 HB3 LEU A 34 -2.449 8.398 5.038 1.00 0.26 H new ATOM 0 HG LEU A 34 -0.423 8.826 2.792 1.00 0.26 H new ATOM 0 HD11 LEU A 34 -2.473 9.054 1.408 1.00 0.27 H new ATOM 0 HD12 LEU A 34 -2.413 7.463 2.204 1.00 0.27 H new ATOM 0 HD13 LEU A 34 -3.477 8.739 2.843 1.00 0.27 H new ATOM 0 HD21 LEU A 34 -1.469 11.060 2.535 1.00 0.26 H new ATOM 0 HD22 LEU A 34 -2.474 10.756 3.972 1.00 0.26 H new ATOM 0 HD23 LEU A 34 -0.707 10.891 4.135 1.00 0.26 H new ATOM 515 N CYS A 35 0.238 6.715 6.476 1.00 0.25 N ATOM 516 CA CYS A 35 0.427 5.719 7.568 1.00 0.25 C ATOM 517 C CYS A 35 1.583 6.170 8.469 1.00 0.24 C ATOM 518 O CYS A 35 2.652 6.506 8.005 1.00 0.23 O ATOM 519 CB CYS A 35 0.726 4.341 6.965 1.00 0.25 C ATOM 520 SG CYS A 35 1.816 4.519 5.530 1.00 0.23 S ATOM 0 H CYS A 35 0.505 6.396 5.545 1.00 0.25 H new ATOM 0 HA CYS A 35 -0.483 5.648 8.164 1.00 0.25 H new ATOM 0 HB2 CYS A 35 1.196 3.702 7.712 1.00 0.25 H new ATOM 0 HB3 CYS A 35 -0.203 3.855 6.668 1.00 0.25 H new ATOM 525 N SER A 36 1.359 6.211 9.753 1.00 0.25 N ATOM 526 CA SER A 36 2.424 6.660 10.698 1.00 0.25 C ATOM 527 C SER A 36 3.610 5.674 10.715 1.00 0.24 C ATOM 528 O SER A 36 4.268 5.523 11.725 1.00 0.25 O ATOM 529 CB SER A 36 1.812 6.788 12.113 1.00 0.27 C ATOM 530 OG SER A 36 0.404 6.607 12.026 1.00 1.35 O ATOM 0 H SER A 36 0.477 5.951 10.193 1.00 0.25 H new ATOM 0 HA SER A 36 2.807 7.626 10.368 1.00 0.25 H new ATOM 0 HB2 SER A 36 2.247 6.044 12.780 1.00 0.27 H new ATOM 0 HB3 SER A 36 2.041 7.767 12.535 1.00 0.27 H new ATOM 0 HG SER A 36 0.008 6.685 12.919 1.00 1.35 H new ATOM 536 N GLN A 37 3.903 4.999 9.631 1.00 0.23 N ATOM 537 CA GLN A 37 5.055 4.043 9.659 1.00 0.22 C ATOM 538 C GLN A 37 5.656 3.865 8.256 1.00 0.21 C ATOM 539 O GLN A 37 5.586 2.789 7.700 1.00 0.20 O ATOM 540 CB GLN A 37 4.573 2.684 10.180 1.00 0.24 C ATOM 541 CG GLN A 37 3.265 2.293 9.486 1.00 0.25 C ATOM 542 CD GLN A 37 2.793 0.936 10.017 1.00 0.29 C ATOM 543 OE1 GLN A 37 2.568 0.780 11.201 1.00 1.09 O ATOM 544 NE2 GLN A 37 2.636 -0.057 9.187 1.00 1.07 N ATOM 0 H GLN A 37 3.406 5.065 8.743 1.00 0.23 H new ATOM 0 HA GLN A 37 5.825 4.447 10.317 1.00 0.22 H new ATOM 0 HB2 GLN A 37 5.333 1.924 9.997 1.00 0.24 H new ATOM 0 HB3 GLN A 37 4.423 2.731 11.259 1.00 0.24 H new ATOM 0 HG2 GLN A 37 2.504 3.052 9.667 1.00 0.25 H new ATOM 0 HG3 GLN A 37 3.414 2.242 8.407 1.00 0.25 H new ATOM 0 HE21 GLN A 37 2.825 0.074 8.193 1.00 1.07 H new ATOM 0 HE22 GLN A 37 2.324 -0.965 9.531 1.00 1.07 H new ATOM 553 N PRO A 38 6.253 4.912 7.727 1.00 0.20 N ATOM 554 CA PRO A 38 6.890 4.849 6.397 1.00 0.19 C ATOM 555 C PRO A 38 8.153 3.983 6.487 1.00 0.18 C ATOM 556 O PRO A 38 8.503 3.476 7.534 1.00 0.19 O ATOM 557 CB PRO A 38 7.243 6.316 6.061 1.00 0.19 C ATOM 558 CG PRO A 38 6.999 7.158 7.347 1.00 0.20 C ATOM 559 CD PRO A 38 6.334 6.232 8.390 1.00 0.22 C ATOM 0 HA PRO A 38 6.251 4.409 5.632 1.00 0.19 H new ATOM 0 HB2 PRO A 38 8.281 6.397 5.740 1.00 0.19 H new ATOM 0 HB3 PRO A 38 6.626 6.681 5.240 1.00 0.19 H new ATOM 0 HG2 PRO A 38 7.940 7.554 7.730 1.00 0.20 H new ATOM 0 HG3 PRO A 38 6.359 8.013 7.130 1.00 0.20 H new ATOM 0 HD2 PRO A 38 6.924 6.179 9.305 1.00 0.22 H new ATOM 0 HD3 PRO A 38 5.345 6.596 8.669 1.00 0.22 H new ATOM 567 N ALA A 39 8.837 3.821 5.394 1.00 0.17 N ATOM 568 CA ALA A 39 10.075 3.006 5.387 1.00 0.16 C ATOM 569 C ALA A 39 10.775 3.225 4.051 1.00 0.15 C ATOM 570 O ALA A 39 10.199 3.771 3.130 1.00 0.17 O ATOM 571 CB ALA A 39 9.716 1.528 5.541 1.00 0.15 C ATOM 0 H ALA A 39 8.586 4.226 4.492 1.00 0.17 H new ATOM 0 HA ALA A 39 10.727 3.298 6.210 1.00 0.16 H new ATOM 0 HB1 ALA A 39 10.627 0.930 5.536 1.00 0.15 H new ATOM 0 HB2 ALA A 39 9.189 1.378 6.483 1.00 0.15 H new ATOM 0 HB3 ALA A 39 9.076 1.221 4.714 1.00 0.15 H new ATOM 577 N VAL A 40 11.997 2.786 3.914 1.00 0.13 N ATOM 578 CA VAL A 40 12.700 2.955 2.608 1.00 0.12 C ATOM 579 C VAL A 40 12.508 1.664 1.824 1.00 0.11 C ATOM 580 O VAL A 40 12.497 0.586 2.386 1.00 0.14 O ATOM 581 CB VAL A 40 14.194 3.216 2.838 1.00 0.12 C ATOM 582 CG1 VAL A 40 14.969 2.988 1.535 1.00 0.12 C ATOM 583 CG2 VAL A 40 14.386 4.666 3.282 1.00 0.16 C ATOM 0 H VAL A 40 12.537 2.321 4.644 1.00 0.13 H new ATOM 0 HA VAL A 40 12.295 3.805 2.060 1.00 0.12 H new ATOM 0 HB VAL A 40 14.564 2.535 3.605 1.00 0.12 H new ATOM 0 HG11 VAL A 40 16.029 3.175 1.705 1.00 0.12 H new ATOM 0 HG12 VAL A 40 14.830 1.959 1.205 1.00 0.12 H new ATOM 0 HG13 VAL A 40 14.599 3.668 0.768 1.00 0.12 H new ATOM 0 HG21 VAL A 40 15.446 4.859 3.447 1.00 0.16 H new ATOM 0 HG22 VAL A 40 14.012 5.336 2.508 1.00 0.16 H new ATOM 0 HG23 VAL A 40 13.837 4.839 4.208 1.00 0.16 H new ATOM 593 N VAL A 41 12.330 1.770 0.536 1.00 0.13 N ATOM 594 CA VAL A 41 12.104 0.553 -0.304 1.00 0.14 C ATOM 595 C VAL A 41 13.204 0.444 -1.363 1.00 0.14 C ATOM 596 O VAL A 41 13.380 1.320 -2.179 1.00 0.17 O ATOM 597 CB VAL A 41 10.731 0.674 -0.973 1.00 0.19 C ATOM 598 CG1 VAL A 41 10.245 -0.702 -1.409 1.00 0.22 C ATOM 599 CG2 VAL A 41 9.731 1.264 0.027 1.00 0.20 C ATOM 0 H VAL A 41 12.331 2.652 0.023 1.00 0.13 H new ATOM 0 HA VAL A 41 12.133 -0.344 0.315 1.00 0.14 H new ATOM 0 HB VAL A 41 10.813 1.323 -1.845 1.00 0.19 H new ATOM 0 HG11 VAL A 41 9.268 -0.609 -1.884 1.00 0.22 H new ATOM 0 HG12 VAL A 41 10.954 -1.131 -2.118 1.00 0.22 H new ATOM 0 HG13 VAL A 41 10.165 -1.352 -0.538 1.00 0.22 H new ATOM 0 HG21 VAL A 41 8.753 1.352 -0.446 1.00 0.20 H new ATOM 0 HG22 VAL A 41 9.657 0.610 0.896 1.00 0.20 H new ATOM 0 HG23 VAL A 41 10.071 2.250 0.343 1.00 0.20 H new ATOM 609 N PHE A 42 13.957 -0.624 -1.349 1.00 0.13 N ATOM 610 CA PHE A 42 15.060 -0.778 -2.347 1.00 0.15 C ATOM 611 C PHE A 42 14.569 -1.537 -3.585 1.00 0.19 C ATOM 612 O PHE A 42 13.868 -2.525 -3.490 1.00 0.21 O ATOM 613 CB PHE A 42 16.211 -1.564 -1.710 1.00 0.14 C ATOM 614 CG PHE A 42 16.968 -0.686 -0.733 1.00 0.12 C ATOM 615 CD1 PHE A 42 17.649 0.463 -1.190 1.00 0.12 C ATOM 616 CD2 PHE A 42 17.001 -1.021 0.636 1.00 0.12 C ATOM 617 CE1 PHE A 42 18.357 1.271 -0.281 1.00 0.13 C ATOM 618 CE2 PHE A 42 17.711 -0.212 1.543 1.00 0.14 C ATOM 619 CZ PHE A 42 18.388 0.934 1.085 1.00 0.14 C ATOM 0 H PHE A 42 13.857 -1.397 -0.691 1.00 0.13 H new ATOM 0 HA PHE A 42 15.396 0.214 -2.649 1.00 0.15 H new ATOM 0 HB2 PHE A 42 15.820 -2.441 -1.194 1.00 0.14 H new ATOM 0 HB3 PHE A 42 16.887 -1.925 -2.485 1.00 0.14 H new ATOM 0 HD1 PHE A 42 17.627 0.722 -2.238 1.00 0.12 H new ATOM 0 HD2 PHE A 42 16.481 -1.899 0.989 1.00 0.12 H new ATOM 0 HE1 PHE A 42 18.877 2.150 -0.632 1.00 0.13 H new ATOM 0 HE2 PHE A 42 17.736 -0.471 2.591 1.00 0.14 H new ATOM 0 HZ PHE A 42 18.931 1.555 1.782 1.00 0.14 H new ATOM 629 N GLN A 43 14.970 -1.089 -4.747 1.00 0.22 N ATOM 630 CA GLN A 43 14.581 -1.774 -6.018 1.00 0.26 C ATOM 631 C GLN A 43 15.787 -2.606 -6.477 1.00 0.28 C ATOM 632 O GLN A 43 16.870 -2.076 -6.650 1.00 0.28 O ATOM 633 CB GLN A 43 14.238 -0.712 -7.067 1.00 0.30 C ATOM 634 CG GLN A 43 12.990 0.057 -6.625 1.00 0.30 C ATOM 635 CD GLN A 43 12.853 1.333 -7.458 1.00 0.35 C ATOM 636 OE1 GLN A 43 12.695 2.410 -6.920 1.00 1.15 O ATOM 637 NE2 GLN A 43 12.908 1.256 -8.760 1.00 1.11 N ATOM 0 H GLN A 43 15.559 -0.266 -4.871 1.00 0.22 H new ATOM 0 HA GLN A 43 13.713 -2.418 -5.877 1.00 0.26 H new ATOM 0 HB2 GLN A 43 15.076 -0.026 -7.193 1.00 0.30 H new ATOM 0 HB3 GLN A 43 14.064 -1.184 -8.034 1.00 0.30 H new ATOM 0 HG2 GLN A 43 12.104 -0.566 -6.747 1.00 0.30 H new ATOM 0 HG3 GLN A 43 13.060 0.307 -5.566 1.00 0.30 H new ATOM 0 HE21 GLN A 43 13.041 0.351 -9.212 1.00 1.11 H new ATOM 0 HE22 GLN A 43 12.818 2.100 -9.325 1.00 1.11 H new ATOM 646 N THR A 44 15.637 -3.908 -6.629 1.00 0.29 N ATOM 647 CA THR A 44 16.823 -4.753 -7.019 1.00 0.31 C ATOM 648 C THR A 44 16.856 -5.050 -8.519 1.00 0.37 C ATOM 649 O THR A 44 16.276 -4.352 -9.327 1.00 0.40 O ATOM 650 CB THR A 44 16.769 -6.081 -6.268 1.00 0.31 C ATOM 651 OG1 THR A 44 15.887 -6.959 -6.944 1.00 0.35 O ATOM 652 CG2 THR A 44 16.269 -5.845 -4.840 1.00 0.26 C ATOM 0 H THR A 44 14.761 -4.415 -6.503 1.00 0.29 H new ATOM 0 HA THR A 44 17.719 -4.189 -6.761 1.00 0.31 H new ATOM 0 HB THR A 44 17.765 -6.521 -6.228 1.00 0.31 H new ATOM 0 HG1 THR A 44 16.218 -7.878 -6.868 1.00 0.35 H new ATOM 0 HG21 THR A 44 16.231 -6.795 -4.306 1.00 0.26 H new ATOM 0 HG22 THR A 44 16.948 -5.165 -4.325 1.00 0.26 H new ATOM 0 HG23 THR A 44 15.271 -5.407 -4.872 1.00 0.26 H new ATOM 660 N LYS A 45 17.564 -6.096 -8.884 1.00 0.42 N ATOM 661 CA LYS A 45 17.695 -6.490 -10.321 1.00 0.47 C ATOM 662 C LYS A 45 16.932 -7.794 -10.581 1.00 0.50 C ATOM 663 O LYS A 45 16.545 -8.076 -11.697 1.00 0.55 O ATOM 664 CB LYS A 45 19.178 -6.722 -10.646 1.00 0.49 C ATOM 665 CG LYS A 45 20.028 -5.590 -10.069 1.00 0.45 C ATOM 666 CD LYS A 45 21.503 -5.851 -10.393 1.00 0.49 C ATOM 667 CE LYS A 45 22.317 -4.578 -10.156 1.00 0.53 C ATOM 668 NZ LYS A 45 23.772 -4.900 -10.209 1.00 1.41 N ATOM 0 H LYS A 45 18.064 -6.702 -8.233 1.00 0.42 H new ATOM 0 HA LYS A 45 17.286 -5.695 -10.945 1.00 0.47 H new ATOM 0 HB2 LYS A 45 19.503 -7.677 -10.234 1.00 0.49 H new ATOM 0 HB3 LYS A 45 19.317 -6.777 -11.726 1.00 0.49 H new ATOM 0 HG2 LYS A 45 19.715 -4.634 -10.489 1.00 0.45 H new ATOM 0 HG3 LYS A 45 19.886 -5.526 -8.990 1.00 0.45 H new ATOM 0 HD2 LYS A 45 21.885 -6.659 -9.769 1.00 0.49 H new ATOM 0 HD3 LYS A 45 21.606 -6.172 -11.429 1.00 0.49 H new ATOM 0 HE2 LYS A 45 22.071 -3.831 -10.911 1.00 0.53 H new ATOM 0 HE3 LYS A 45 22.064 -4.147 -9.187 1.00 0.53 H new ATOM 0 HZ1 LYS A 45 24.325 -4.022 -10.133 1.00 1.41 H new ATOM 0 HZ2 LYS A 45 24.016 -5.533 -9.421 1.00 1.41 H new ATOM 0 HZ3 LYS A 45 23.991 -5.370 -11.111 1.00 1.41 H new ATOM 682 N ARG A 46 16.727 -8.599 -9.562 1.00 0.49 N ATOM 683 CA ARG A 46 16.002 -9.903 -9.746 1.00 0.53 C ATOM 684 C ARG A 46 14.876 -9.991 -8.717 1.00 0.48 C ATOM 685 O ARG A 46 14.741 -10.956 -7.995 1.00 0.49 O ATOM 686 CB ARG A 46 16.994 -11.069 -9.555 1.00 0.57 C ATOM 687 CG ARG A 46 16.467 -12.376 -10.203 1.00 0.68 C ATOM 688 CD ARG A 46 15.541 -13.148 -9.240 1.00 0.99 C ATOM 689 NE ARG A 46 15.667 -14.617 -9.500 1.00 1.58 N ATOM 690 CZ ARG A 46 15.549 -15.106 -10.707 1.00 2.19 C ATOM 691 NH1 ARG A 46 15.127 -14.354 -11.688 1.00 2.64 N ATOM 692 NH2 ARG A 46 15.799 -16.371 -10.921 1.00 2.86 N ATOM 0 H ARG A 46 17.031 -8.409 -8.607 1.00 0.49 H new ATOM 0 HA ARG A 46 15.579 -9.962 -10.749 1.00 0.53 H new ATOM 0 HB2 ARG A 46 17.956 -10.806 -9.995 1.00 0.57 H new ATOM 0 HB3 ARG A 46 17.165 -11.232 -8.491 1.00 0.57 H new ATOM 0 HG2 ARG A 46 15.925 -12.137 -11.118 1.00 0.68 H new ATOM 0 HG3 ARG A 46 17.308 -13.008 -10.486 1.00 0.68 H new ATOM 0 HD2 ARG A 46 15.807 -12.926 -8.206 1.00 0.99 H new ATOM 0 HD3 ARG A 46 14.508 -12.830 -9.379 1.00 0.99 H new ATOM 0 HE ARG A 46 15.848 -15.249 -8.720 1.00 1.58 H new ATOM 0 HH11 ARG A 46 14.887 -13.378 -11.515 1.00 2.64 H new ATOM 0 HH12 ARG A 46 15.038 -14.743 -12.627 1.00 2.64 H new ATOM 0 HH21 ARG A 46 16.085 -16.972 -10.148 1.00 2.86 H new ATOM 0 HH22 ARG A 46 15.708 -16.757 -11.861 1.00 2.86 H new ATOM 706 N SER A 47 14.057 -8.984 -8.657 1.00 0.44 N ATOM 707 CA SER A 47 12.926 -8.992 -7.703 1.00 0.41 C ATOM 708 C SER A 47 11.987 -7.851 -8.078 1.00 0.41 C ATOM 709 O SER A 47 11.486 -7.783 -9.182 1.00 0.45 O ATOM 710 CB SER A 47 13.436 -8.819 -6.265 1.00 0.38 C ATOM 711 OG SER A 47 13.833 -7.472 -6.054 1.00 0.99 O ATOM 0 H SER A 47 14.126 -8.147 -9.236 1.00 0.44 H new ATOM 0 HA SER A 47 12.398 -9.944 -7.753 1.00 0.41 H new ATOM 0 HB2 SER A 47 12.654 -9.092 -5.557 1.00 0.38 H new ATOM 0 HB3 SER A 47 14.277 -9.488 -6.085 1.00 0.38 H new ATOM 0 HG SER A 47 14.714 -7.324 -6.457 1.00 0.99 H new ATOM 717 N LYS A 48 11.760 -6.952 -7.180 1.00 0.37 N ATOM 718 CA LYS A 48 10.869 -5.802 -7.471 1.00 0.38 C ATOM 719 C LYS A 48 11.215 -4.690 -6.492 1.00 0.33 C ATOM 720 O LYS A 48 12.113 -3.894 -6.704 1.00 0.31 O ATOM 721 CB LYS A 48 9.395 -6.215 -7.261 1.00 0.44 C ATOM 722 CG LYS A 48 8.815 -6.866 -8.523 1.00 1.12 C ATOM 723 CD LYS A 48 7.289 -6.958 -8.374 1.00 1.24 C ATOM 724 CE LYS A 48 6.667 -7.773 -9.531 1.00 2.01 C ATOM 725 NZ LYS A 48 5.950 -6.847 -10.453 1.00 2.55 N ATOM 0 H LYS A 48 12.158 -6.961 -6.241 1.00 0.37 H new ATOM 0 HA LYS A 48 11.002 -5.473 -8.502 1.00 0.38 H new ATOM 0 HB2 LYS A 48 9.325 -6.911 -6.425 1.00 0.44 H new ATOM 0 HB3 LYS A 48 8.803 -5.339 -6.996 1.00 0.44 H new ATOM 0 HG2 LYS A 48 9.074 -6.279 -9.404 1.00 1.12 H new ATOM 0 HG3 LYS A 48 9.241 -7.859 -8.666 1.00 1.12 H new ATOM 0 HD2 LYS A 48 7.041 -7.425 -7.421 1.00 1.24 H new ATOM 0 HD3 LYS A 48 6.861 -5.956 -8.359 1.00 1.24 H new ATOM 0 HE2 LYS A 48 7.445 -8.313 -10.071 1.00 2.01 H new ATOM 0 HE3 LYS A 48 5.977 -8.519 -9.136 1.00 2.01 H new ATOM 0 HZ1 LYS A 48 5.530 -7.391 -11.233 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.199 -6.351 -9.932 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 6.621 -6.152 -10.838 1.00 2.55 H new ATOM 739 N GLN A 49 10.490 -4.655 -5.411 1.00 0.33 N ATOM 740 CA GLN A 49 10.702 -3.632 -4.359 1.00 0.30 C ATOM 741 C GLN A 49 10.915 -4.349 -3.019 1.00 0.25 C ATOM 742 O GLN A 49 10.334 -5.389 -2.767 1.00 0.26 O ATOM 743 CB GLN A 49 9.442 -2.767 -4.302 1.00 0.34 C ATOM 744 CG GLN A 49 9.482 -1.720 -5.420 1.00 0.85 C ATOM 745 CD GLN A 49 8.204 -0.882 -5.380 1.00 1.00 C ATOM 746 OE1 GLN A 49 7.370 -1.067 -4.516 1.00 1.60 O ATOM 747 NE2 GLN A 49 8.013 0.040 -6.284 1.00 1.68 N ATOM 0 H GLN A 49 9.738 -5.314 -5.210 1.00 0.33 H new ATOM 0 HA GLN A 49 11.572 -3.010 -4.570 1.00 0.30 H new ATOM 0 HB2 GLN A 49 8.555 -3.392 -4.408 1.00 0.34 H new ATOM 0 HB3 GLN A 49 9.371 -2.275 -3.332 1.00 0.34 H new ATOM 0 HG2 GLN A 49 10.355 -1.078 -5.300 1.00 0.85 H new ATOM 0 HG3 GLN A 49 9.578 -2.210 -6.389 1.00 0.85 H new ATOM 0 HE21 GLN A 49 8.713 0.196 -7.009 1.00 1.68 H new ATOM 0 HE22 GLN A 49 7.164 0.605 -6.265 1.00 1.68 H new ATOM 756 N VAL A 50 11.749 -3.813 -2.162 1.00 0.21 N ATOM 757 CA VAL A 50 12.008 -4.472 -0.840 1.00 0.18 C ATOM 758 C VAL A 50 12.002 -3.426 0.267 1.00 0.14 C ATOM 759 O VAL A 50 12.768 -2.490 0.244 1.00 0.13 O ATOM 760 CB VAL A 50 13.379 -5.155 -0.871 1.00 0.20 C ATOM 761 CG1 VAL A 50 13.526 -6.054 0.359 1.00 0.23 C ATOM 762 CG2 VAL A 50 13.509 -5.993 -2.153 1.00 0.30 C ATOM 0 H VAL A 50 12.263 -2.946 -2.319 1.00 0.21 H new ATOM 0 HA VAL A 50 11.229 -5.210 -0.650 1.00 0.18 H new ATOM 0 HB VAL A 50 14.165 -4.400 -0.860 1.00 0.20 H new ATOM 0 HG11 VAL A 50 14.501 -6.541 0.339 1.00 0.23 H new ATOM 0 HG12 VAL A 50 13.440 -5.451 1.263 1.00 0.23 H new ATOM 0 HG13 VAL A 50 12.742 -6.811 0.352 1.00 0.23 H new ATOM 0 HG21 VAL A 50 14.485 -6.478 -2.173 1.00 0.30 H new ATOM 0 HG22 VAL A 50 12.726 -6.751 -2.173 1.00 0.30 H new ATOM 0 HG23 VAL A 50 13.408 -5.345 -3.023 1.00 0.30 H new ATOM 772 N CYS A 51 11.154 -3.588 1.244 1.00 0.14 N ATOM 773 CA CYS A 51 11.101 -2.602 2.356 1.00 0.12 C ATOM 774 C CYS A 51 12.334 -2.773 3.241 1.00 0.11 C ATOM 775 O CYS A 51 12.895 -3.847 3.341 1.00 0.13 O ATOM 776 CB CYS A 51 9.839 -2.843 3.185 1.00 0.14 C ATOM 777 SG CYS A 51 8.376 -2.558 2.157 1.00 0.18 S ATOM 0 H CYS A 51 10.495 -4.363 1.319 1.00 0.14 H new ATOM 0 HA CYS A 51 11.082 -1.590 1.950 1.00 0.12 H new ATOM 0 HB2 CYS A 51 9.833 -3.863 3.569 1.00 0.14 H new ATOM 0 HB3 CYS A 51 9.825 -2.177 4.048 1.00 0.14 H new ATOM 782 N ALA A 52 12.771 -1.718 3.879 1.00 0.10 N ATOM 783 CA ALA A 52 13.982 -1.812 4.750 1.00 0.11 C ATOM 784 C ALA A 52 13.812 -0.901 5.969 1.00 0.13 C ATOM 785 O ALA A 52 13.337 0.214 5.864 1.00 0.13 O ATOM 786 CB ALA A 52 15.211 -1.366 3.953 1.00 0.10 C ATOM 0 H ALA A 52 12.341 -0.794 3.835 1.00 0.10 H new ATOM 0 HA ALA A 52 14.111 -2.842 5.083 1.00 0.11 H new ATOM 0 HB1 ALA A 52 16.097 -1.433 4.584 1.00 0.10 H new ATOM 0 HB2 ALA A 52 15.335 -2.012 3.084 1.00 0.10 H new ATOM 0 HB3 ALA A 52 15.077 -0.336 3.623 1.00 0.10 H new ATOM 792 N ASP A 53 14.202 -1.372 7.124 1.00 0.17 N ATOM 793 CA ASP A 53 14.072 -0.548 8.363 1.00 0.20 C ATOM 794 C ASP A 53 15.062 0.647 8.286 1.00 0.20 C ATOM 795 O ASP A 53 16.254 0.419 8.267 1.00 0.22 O ATOM 796 CB ASP A 53 14.437 -1.436 9.582 1.00 0.25 C ATOM 797 CG ASP A 53 13.169 -1.920 10.297 1.00 1.39 C ATOM 798 OD1 ASP A 53 12.549 -1.114 10.972 1.00 2.15 O ATOM 799 OD2 ASP A 53 12.846 -3.087 10.162 1.00 2.20 O ATOM 0 H ASP A 53 14.607 -2.297 7.264 1.00 0.17 H new ATOM 0 HA ASP A 53 13.054 -0.171 8.462 1.00 0.20 H new ATOM 0 HB2 ASP A 53 15.024 -2.293 9.252 1.00 0.25 H new ATOM 0 HB3 ASP A 53 15.060 -0.872 10.276 1.00 0.25 H new ATOM 804 N PRO A 54 14.582 1.885 8.259 1.00 0.21 N ATOM 805 CA PRO A 54 15.502 3.040 8.201 1.00 0.22 C ATOM 806 C PRO A 54 16.366 3.065 9.470 1.00 0.27 C ATOM 807 O PRO A 54 17.266 3.869 9.609 1.00 0.29 O ATOM 808 CB PRO A 54 14.588 4.283 8.128 1.00 0.24 C ATOM 809 CG PRO A 54 13.114 3.788 8.203 1.00 0.23 C ATOM 810 CD PRO A 54 13.142 2.245 8.280 1.00 0.21 C ATOM 0 HA PRO A 54 16.180 2.999 7.349 1.00 0.22 H new ATOM 0 HB2 PRO A 54 14.805 4.966 8.949 1.00 0.24 H new ATOM 0 HB3 PRO A 54 14.761 4.832 7.202 1.00 0.24 H new ATOM 0 HG2 PRO A 54 12.614 4.206 9.077 1.00 0.23 H new ATOM 0 HG3 PRO A 54 12.555 4.118 7.327 1.00 0.23 H new ATOM 0 HD2 PRO A 54 12.659 1.886 9.189 1.00 0.21 H new ATOM 0 HD3 PRO A 54 12.611 1.798 7.439 1.00 0.21 H new ATOM 818 N SER A 55 16.079 2.199 10.398 1.00 0.30 N ATOM 819 CA SER A 55 16.860 2.171 11.667 1.00 0.36 C ATOM 820 C SER A 55 18.214 1.496 11.434 1.00 0.36 C ATOM 821 O SER A 55 19.163 1.733 12.156 1.00 0.39 O ATOM 822 CB SER A 55 16.078 1.392 12.724 1.00 0.40 C ATOM 823 OG SER A 55 16.861 1.288 13.906 1.00 1.37 O ATOM 0 H SER A 55 15.334 1.505 10.334 1.00 0.30 H new ATOM 0 HA SER A 55 17.026 3.193 12.009 1.00 0.36 H new ATOM 0 HB2 SER A 55 15.136 1.896 12.941 1.00 0.40 H new ATOM 0 HB3 SER A 55 15.829 0.399 12.350 1.00 0.40 H new ATOM 0 HG SER A 55 16.362 0.790 14.587 1.00 1.37 H new ATOM 829 N GLU A 56 18.322 0.663 10.433 1.00 0.33 N ATOM 830 CA GLU A 56 19.628 -0.009 10.172 1.00 0.33 C ATOM 831 C GLU A 56 20.544 0.956 9.417 1.00 0.32 C ATOM 832 O GLU A 56 20.251 1.397 8.322 1.00 0.28 O ATOM 833 CB GLU A 56 19.404 -1.281 9.346 1.00 0.31 C ATOM 834 CG GLU A 56 18.725 -2.364 10.206 1.00 0.35 C ATOM 835 CD GLU A 56 19.002 -3.749 9.612 1.00 1.30 C ATOM 836 OE1 GLU A 56 18.768 -3.923 8.428 1.00 2.09 O ATOM 837 OE2 GLU A 56 19.445 -4.611 10.354 1.00 2.05 O ATOM 0 H GLU A 56 17.569 0.420 9.790 1.00 0.33 H new ATOM 0 HA GLU A 56 20.094 -0.286 11.117 1.00 0.33 H new ATOM 0 HB2 GLU A 56 18.785 -1.055 8.478 1.00 0.31 H new ATOM 0 HB3 GLU A 56 20.358 -1.651 8.969 1.00 0.31 H new ATOM 0 HG2 GLU A 56 19.098 -2.316 11.229 1.00 0.35 H new ATOM 0 HG3 GLU A 56 17.651 -2.186 10.250 1.00 0.35 H new ATOM 844 N SER A 57 21.644 1.304 10.022 1.00 0.37 N ATOM 845 CA SER A 57 22.602 2.262 9.399 1.00 0.38 C ATOM 846 C SER A 57 22.909 1.899 7.942 1.00 0.34 C ATOM 847 O SER A 57 23.035 2.768 7.103 1.00 0.32 O ATOM 848 CB SER A 57 23.904 2.260 10.200 1.00 0.44 C ATOM 849 OG SER A 57 24.333 0.918 10.393 1.00 1.42 O ATOM 0 H SER A 57 21.926 0.959 10.940 1.00 0.37 H new ATOM 0 HA SER A 57 22.142 3.250 9.409 1.00 0.38 H new ATOM 0 HB2 SER A 57 24.671 2.827 9.672 1.00 0.44 H new ATOM 0 HB3 SER A 57 23.753 2.748 11.163 1.00 0.44 H new ATOM 0 HG SER A 57 25.169 0.912 10.905 1.00 1.42 H new ATOM 855 N TRP A 58 23.060 0.643 7.624 1.00 0.34 N ATOM 856 CA TRP A 58 23.390 0.296 6.213 1.00 0.31 C ATOM 857 C TRP A 58 22.297 0.819 5.287 1.00 0.26 C ATOM 858 O TRP A 58 22.560 1.228 4.174 1.00 0.25 O ATOM 859 CB TRP A 58 23.588 -1.220 6.053 1.00 0.33 C ATOM 860 CG TRP A 58 22.287 -1.962 6.006 1.00 0.30 C ATOM 861 CD1 TRP A 58 21.812 -2.745 7.003 1.00 0.32 C ATOM 862 CD2 TRP A 58 21.308 -2.043 4.924 1.00 0.27 C ATOM 863 NE1 TRP A 58 20.614 -3.308 6.604 1.00 0.29 N ATOM 864 CE2 TRP A 58 20.254 -2.902 5.337 1.00 0.26 C ATOM 865 CE3 TRP A 58 21.228 -1.465 3.633 1.00 0.26 C ATOM 866 CZ2 TRP A 58 19.161 -3.179 4.505 1.00 0.25 C ATOM 867 CZ3 TRP A 58 20.128 -1.741 2.793 1.00 0.26 C ATOM 868 CH2 TRP A 58 19.097 -2.594 3.230 1.00 0.25 C ATOM 0 H TRP A 58 22.971 -0.145 8.266 1.00 0.34 H new ATOM 0 HA TRP A 58 24.331 0.773 5.939 1.00 0.31 H new ATOM 0 HB2 TRP A 58 24.149 -1.416 5.139 1.00 0.33 H new ATOM 0 HB3 TRP A 58 24.188 -1.595 6.882 1.00 0.33 H new ATOM 0 HD1 TRP A 58 22.292 -2.904 7.957 1.00 0.32 H new ATOM 0 HE1 TRP A 58 20.063 -3.947 7.178 1.00 0.29 H new ATOM 0 HE3 TRP A 58 22.014 -0.809 3.289 1.00 0.26 H new ATOM 0 HZ2 TRP A 58 18.374 -3.837 4.842 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 20.077 -1.296 1.810 1.00 0.26 H new ATOM 0 HH2 TRP A 58 18.256 -2.799 2.584 1.00 0.25 H new ATOM 879 N VAL A 59 21.080 0.848 5.741 1.00 0.23 N ATOM 880 CA VAL A 59 19.987 1.373 4.882 1.00 0.19 C ATOM 881 C VAL A 59 20.245 2.849 4.616 1.00 0.20 C ATOM 882 O VAL A 59 20.145 3.322 3.503 1.00 0.20 O ATOM 883 CB VAL A 59 18.658 1.206 5.617 1.00 0.19 C ATOM 884 CG1 VAL A 59 17.514 1.788 4.778 1.00 0.18 C ATOM 885 CG2 VAL A 59 18.427 -0.282 5.864 1.00 0.19 C ATOM 0 H VAL A 59 20.794 0.532 6.668 1.00 0.23 H new ATOM 0 HA VAL A 59 19.949 0.831 3.937 1.00 0.19 H new ATOM 0 HB VAL A 59 18.688 1.739 6.567 1.00 0.19 H new ATOM 0 HG11 VAL A 59 16.572 1.663 5.312 1.00 0.18 H new ATOM 0 HG12 VAL A 59 17.694 2.849 4.603 1.00 0.18 H new ATOM 0 HG13 VAL A 59 17.462 1.266 3.822 1.00 0.18 H new ATOM 0 HG21 VAL A 59 17.482 -0.421 6.389 1.00 0.19 H new ATOM 0 HG22 VAL A 59 18.394 -0.808 4.910 1.00 0.19 H new ATOM 0 HG23 VAL A 59 19.240 -0.681 6.470 1.00 0.19 H new ATOM 895 N GLN A 60 20.587 3.576 5.634 1.00 0.24 N ATOM 896 CA GLN A 60 20.864 5.025 5.455 1.00 0.27 C ATOM 897 C GLN A 60 22.089 5.192 4.545 1.00 0.27 C ATOM 898 O GLN A 60 22.130 6.051 3.687 1.00 0.29 O ATOM 899 CB GLN A 60 21.128 5.645 6.844 1.00 0.32 C ATOM 900 CG GLN A 60 20.589 7.078 6.915 1.00 1.22 C ATOM 901 CD GLN A 60 20.621 7.555 8.369 1.00 1.62 C ATOM 902 OE1 GLN A 60 20.329 6.798 9.275 1.00 2.20 O ATOM 903 NE2 GLN A 60 20.966 8.785 8.634 1.00 2.24 N ATOM 0 H GLN A 60 20.688 3.230 6.588 1.00 0.24 H new ATOM 0 HA GLN A 60 20.016 5.529 4.992 1.00 0.27 H new ATOM 0 HB2 GLN A 60 20.655 5.036 7.614 1.00 0.32 H new ATOM 0 HB3 GLN A 60 22.198 5.644 7.049 1.00 0.32 H new ATOM 0 HG2 GLN A 60 21.191 7.737 6.290 1.00 1.22 H new ATOM 0 HG3 GLN A 60 19.570 7.116 6.529 1.00 1.22 H new ATOM 0 HE21 GLN A 60 21.211 9.421 7.875 1.00 2.24 H new ATOM 0 HE22 GLN A 60 20.991 9.111 9.600 1.00 2.24 H new ATOM 912 N GLU A 61 23.086 4.373 4.738 1.00 0.28 N ATOM 913 CA GLU A 61 24.319 4.470 3.900 1.00 0.30 C ATOM 914 C GLU A 61 23.989 4.171 2.434 1.00 0.28 C ATOM 915 O GLU A 61 24.394 4.889 1.541 1.00 0.29 O ATOM 916 CB GLU A 61 25.354 3.458 4.400 1.00 0.31 C ATOM 917 CG GLU A 61 26.683 3.682 3.673 1.00 0.34 C ATOM 918 CD GLU A 61 27.791 2.896 4.379 1.00 1.15 C ATOM 919 OE1 GLU A 61 27.674 2.691 5.576 1.00 1.82 O ATOM 920 OE2 GLU A 61 28.737 2.515 3.710 1.00 1.94 O ATOM 0 H GLU A 61 23.101 3.636 5.443 1.00 0.28 H new ATOM 0 HA GLU A 61 24.720 5.481 3.976 1.00 0.30 H new ATOM 0 HB2 GLU A 61 25.493 3.566 5.476 1.00 0.31 H new ATOM 0 HB3 GLU A 61 24.999 2.442 4.225 1.00 0.31 H new ATOM 0 HG2 GLU A 61 26.600 3.361 2.635 1.00 0.34 H new ATOM 0 HG3 GLU A 61 26.928 4.744 3.660 1.00 0.34 H new ATOM 927 N TYR A 62 23.264 3.118 2.175 1.00 0.26 N ATOM 928 CA TYR A 62 22.921 2.780 0.762 1.00 0.25 C ATOM 929 C TYR A 62 22.096 3.918 0.151 1.00 0.26 C ATOM 930 O TYR A 62 22.239 4.242 -1.011 1.00 0.27 O ATOM 931 CB TYR A 62 22.112 1.471 0.715 1.00 0.23 C ATOM 932 CG TYR A 62 23.038 0.266 0.769 1.00 0.23 C ATOM 933 CD1 TYR A 62 24.040 0.172 1.759 1.00 0.26 C ATOM 934 CD2 TYR A 62 22.895 -0.768 -0.179 1.00 0.24 C ATOM 935 CE1 TYR A 62 24.890 -0.950 1.797 1.00 0.27 C ATOM 936 CE2 TYR A 62 23.745 -1.888 -0.140 1.00 0.25 C ATOM 937 CZ TYR A 62 24.744 -1.980 0.848 1.00 0.27 C ATOM 938 OH TYR A 62 25.578 -3.079 0.885 1.00 0.29 O ATOM 0 H TYR A 62 22.894 2.478 2.878 1.00 0.26 H new ATOM 0 HA TYR A 62 23.841 2.649 0.192 1.00 0.25 H new ATOM 0 HB2 TYR A 62 21.415 1.438 1.552 1.00 0.23 H new ATOM 0 HB3 TYR A 62 21.517 1.438 -0.197 1.00 0.23 H new ATOM 0 HD1 TYR A 62 24.155 0.961 2.488 1.00 0.26 H new ATOM 0 HD2 TYR A 62 22.130 -0.700 -0.938 1.00 0.24 H new ATOM 0 HE1 TYR A 62 25.655 -1.021 2.556 1.00 0.27 H new ATOM 0 HE2 TYR A 62 23.631 -2.678 -0.868 1.00 0.25 H new ATOM 0 HH TYR A 62 25.340 -3.695 0.160 1.00 0.29 H new ATOM 948 N VAL A 63 21.245 4.535 0.922 1.00 0.26 N ATOM 949 CA VAL A 63 20.434 5.653 0.377 1.00 0.27 C ATOM 950 C VAL A 63 21.375 6.800 0.029 1.00 0.31 C ATOM 951 O VAL A 63 21.254 7.430 -1.000 1.00 0.33 O ATOM 952 CB VAL A 63 19.412 6.102 1.426 1.00 0.28 C ATOM 953 CG1 VAL A 63 18.806 7.454 1.031 1.00 0.31 C ATOM 954 CG2 VAL A 63 18.297 5.059 1.515 1.00 0.24 C ATOM 0 H VAL A 63 21.078 4.313 1.903 1.00 0.26 H new ATOM 0 HA VAL A 63 19.896 5.335 -0.516 1.00 0.27 H new ATOM 0 HB VAL A 63 19.910 6.204 2.390 1.00 0.28 H new ATOM 0 HG11 VAL A 63 18.081 7.762 1.785 1.00 0.31 H new ATOM 0 HG12 VAL A 63 19.597 8.201 0.962 1.00 0.31 H new ATOM 0 HG13 VAL A 63 18.308 7.362 0.066 1.00 0.31 H new ATOM 0 HG21 VAL A 63 17.565 5.371 2.260 1.00 0.24 H new ATOM 0 HG22 VAL A 63 17.809 4.964 0.545 1.00 0.24 H new ATOM 0 HG23 VAL A 63 18.721 4.097 1.804 1.00 0.24 H new ATOM 964 N TYR A 64 22.320 7.063 0.884 1.00 0.33 N ATOM 965 CA TYR A 64 23.278 8.163 0.616 1.00 0.37 C ATOM 966 C TYR A 64 24.039 7.860 -0.673 1.00 0.37 C ATOM 967 O TYR A 64 24.249 8.720 -1.502 1.00 0.40 O ATOM 968 CB TYR A 64 24.265 8.261 1.786 1.00 0.39 C ATOM 969 CG TYR A 64 24.933 9.618 1.788 1.00 0.43 C ATOM 970 CD1 TYR A 64 24.200 10.762 2.156 1.00 0.45 C ATOM 971 CD2 TYR A 64 26.289 9.740 1.425 1.00 0.47 C ATOM 972 CE1 TYR A 64 24.821 12.026 2.162 1.00 0.49 C ATOM 973 CE2 TYR A 64 26.910 11.004 1.430 1.00 0.51 C ATOM 974 CZ TYR A 64 26.176 12.147 1.799 1.00 0.52 C ATOM 975 OH TYR A 64 26.785 13.386 1.804 1.00 0.57 O ATOM 0 H TYR A 64 22.469 6.561 1.759 1.00 0.33 H new ATOM 0 HA TYR A 64 22.744 9.107 0.509 1.00 0.37 H new ATOM 0 HB2 TYR A 64 23.741 8.103 2.729 1.00 0.39 H new ATOM 0 HB3 TYR A 64 25.017 7.476 1.704 1.00 0.39 H new ATOM 0 HD1 TYR A 64 23.160 10.670 2.434 1.00 0.45 H new ATOM 0 HD2 TYR A 64 26.853 8.863 1.143 1.00 0.47 H new ATOM 0 HE1 TYR A 64 24.258 12.903 2.445 1.00 0.49 H new ATOM 0 HE2 TYR A 64 27.949 11.096 1.151 1.00 0.51 H new ATOM 0 HH TYR A 64 27.721 13.292 1.529 1.00 0.57 H new ATOM 985 N ASP A 65 24.450 6.638 -0.842 1.00 0.36 N ATOM 986 CA ASP A 65 25.199 6.263 -2.073 1.00 0.37 C ATOM 987 C ASP A 65 24.307 6.468 -3.299 1.00 0.37 C ATOM 988 O ASP A 65 24.768 6.836 -4.361 1.00 0.40 O ATOM 989 CB ASP A 65 25.616 4.792 -1.981 1.00 0.36 C ATOM 990 CG ASP A 65 26.829 4.651 -1.058 1.00 0.38 C ATOM 991 OD1 ASP A 65 27.645 5.557 -1.038 1.00 1.21 O ATOM 992 OD2 ASP A 65 26.921 3.637 -0.386 1.00 1.07 O ATOM 0 H ASP A 65 24.300 5.878 -0.179 1.00 0.36 H new ATOM 0 HA ASP A 65 26.086 6.889 -2.166 1.00 0.37 H new ATOM 0 HB2 ASP A 65 24.788 4.193 -1.602 1.00 0.36 H new ATOM 0 HB3 ASP A 65 25.857 4.411 -2.973 1.00 0.36 H new ATOM 997 N LEU A 66 23.036 6.232 -3.158 1.00 0.34 N ATOM 998 CA LEU A 66 22.111 6.409 -4.309 1.00 0.34 C ATOM 999 C LEU A 66 21.936 7.903 -4.595 1.00 0.39 C ATOM 1000 O LEU A 66 21.701 8.306 -5.717 1.00 0.42 O ATOM 1001 CB LEU A 66 20.757 5.779 -3.959 1.00 0.31 C ATOM 1002 CG LEU A 66 20.812 4.249 -4.173 1.00 0.28 C ATOM 1003 CD1 LEU A 66 19.712 3.563 -3.357 1.00 0.24 C ATOM 1004 CD2 LEU A 66 20.598 3.911 -5.658 1.00 0.30 C ATOM 0 H LEU A 66 22.595 5.923 -2.292 1.00 0.34 H new ATOM 0 HA LEU A 66 22.519 5.924 -5.196 1.00 0.34 H new ATOM 0 HB2 LEU A 66 20.501 6.000 -2.923 1.00 0.31 H new ATOM 0 HB3 LEU A 66 19.974 6.213 -4.580 1.00 0.31 H new ATOM 0 HG LEU A 66 21.791 3.896 -3.850 1.00 0.28 H new ATOM 0 HD11 LEU A 66 19.760 2.486 -3.515 1.00 0.24 H new ATOM 0 HD12 LEU A 66 19.854 3.781 -2.299 1.00 0.24 H new ATOM 0 HD13 LEU A 66 18.738 3.934 -3.676 1.00 0.24 H new ATOM 0 HD21 LEU A 66 20.639 2.830 -5.795 1.00 0.30 H new ATOM 0 HD22 LEU A 66 19.624 4.281 -5.979 1.00 0.30 H new ATOM 0 HD23 LEU A 66 21.379 4.382 -6.255 1.00 0.30 H new ATOM 1016 N GLU A 67 22.053 8.727 -3.593 1.00 0.39 N ATOM 1017 CA GLU A 67 21.899 10.192 -3.815 1.00 0.44 C ATOM 1018 C GLU A 67 23.146 10.734 -4.519 1.00 0.49 C ATOM 1019 O GLU A 67 23.079 11.685 -5.271 1.00 0.53 O ATOM 1020 CB GLU A 67 21.722 10.907 -2.467 1.00 0.44 C ATOM 1021 CG GLU A 67 20.384 10.498 -1.814 1.00 0.41 C ATOM 1022 CD GLU A 67 19.846 11.645 -0.950 1.00 1.11 C ATOM 1023 OE1 GLU A 67 19.854 12.770 -1.423 1.00 1.91 O ATOM 1024 OE2 GLU A 67 19.435 11.378 0.167 1.00 1.72 O ATOM 0 H GLU A 67 22.248 8.451 -2.631 1.00 0.39 H new ATOM 0 HA GLU A 67 21.021 10.371 -4.435 1.00 0.44 H new ATOM 0 HB2 GLU A 67 22.550 10.656 -1.803 1.00 0.44 H new ATOM 0 HB3 GLU A 67 21.747 11.987 -2.614 1.00 0.44 H new ATOM 0 HG2 GLU A 67 19.658 10.242 -2.585 1.00 0.41 H new ATOM 0 HG3 GLU A 67 20.527 9.607 -1.202 1.00 0.41 H new ATOM 1031 N LEU A 68 24.282 10.135 -4.286 1.00 0.49 N ATOM 1032 CA LEU A 68 25.525 10.623 -4.952 1.00 0.54 C ATOM 1033 C LEU A 68 25.561 10.129 -6.398 1.00 0.55 C ATOM 1034 O LEU A 68 25.227 10.847 -7.320 1.00 0.60 O ATOM 1035 CB LEU A 68 26.760 10.102 -4.215 1.00 0.54 C ATOM 1036 CG LEU A 68 26.721 10.532 -2.745 1.00 0.54 C ATOM 1037 CD1 LEU A 68 27.782 9.747 -1.981 1.00 0.55 C ATOM 1038 CD2 LEU A 68 27.019 12.035 -2.616 1.00 0.59 C ATOM 0 H LEU A 68 24.404 9.333 -3.667 1.00 0.49 H new ATOM 0 HA LEU A 68 25.527 11.713 -4.932 1.00 0.54 H new ATOM 0 HB2 LEU A 68 26.801 9.015 -4.282 1.00 0.54 H new ATOM 0 HB3 LEU A 68 27.664 10.485 -4.689 1.00 0.54 H new ATOM 0 HG LEU A 68 25.729 10.335 -2.339 1.00 0.54 H new ATOM 0 HD11 LEU A 68 27.767 10.042 -0.932 1.00 0.55 H new ATOM 0 HD12 LEU A 68 27.573 8.680 -2.061 1.00 0.55 H new ATOM 0 HD13 LEU A 68 28.765 9.957 -2.403 1.00 0.55 H new ATOM 0 HD21 LEU A 68 26.987 12.323 -1.565 1.00 0.59 H new ATOM 0 HD22 LEU A 68 28.009 12.246 -3.020 1.00 0.59 H new ATOM 0 HD23 LEU A 68 26.272 12.603 -3.171 1.00 0.59 H new ATOM 1050 N ASN A 69 25.971 8.906 -6.605 1.00 0.61 N ATOM 1051 CA ASN A 69 26.041 8.357 -7.992 1.00 0.65 C ATOM 1052 C ASN A 69 24.698 7.710 -8.350 1.00 0.71 C ATOM 1053 O ASN A 69 24.290 7.834 -9.493 1.00 1.17 O ATOM 1054 CB ASN A 69 27.178 7.311 -8.057 1.00 0.81 C ATOM 1055 CG ASN A 69 27.910 7.397 -9.404 1.00 1.73 C ATOM 1056 OD1 ASN A 69 27.498 6.793 -10.375 1.00 2.51 O ATOM 1057 ND2 ASN A 69 28.987 8.129 -9.497 1.00 2.50 N ATOM 1058 OXT ASN A 69 24.103 7.103 -7.475 1.00 1.45 O ATOM 0 H ASN A 69 26.262 8.261 -5.871 1.00 0.61 H new ATOM 0 HA ASN A 69 26.246 9.155 -8.705 1.00 0.65 H new ATOM 0 HB2 ASN A 69 27.882 7.479 -7.242 1.00 0.81 H new ATOM 0 HB3 ASN A 69 26.768 6.310 -7.922 1.00 0.81 H new ATOM 0 HD21 ASN A 69 29.484 8.195 -10.385 1.00 2.50 H new ATOM 0 HD22 ASN A 69 29.332 8.635 -8.681 1.00 2.50 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 9.385 -18.196 -12.314 1.00 3.69 N ATOM 1067 CA ALA B 1 8.694 -16.928 -11.940 1.00 3.21 C ATOM 1068 C ALA B 1 8.945 -16.627 -10.454 1.00 2.70 C ATOM 1069 O ALA B 1 8.042 -16.744 -9.649 1.00 2.72 O ATOM 1070 CB ALA B 1 7.189 -17.082 -12.178 1.00 3.46 C ATOM 0 H1 ALA B 1 10.052 -18.012 -13.090 1.00 3.69 H new ATOM 0 H2 ALA B 1 9.904 -18.564 -11.491 1.00 3.69 H new ATOM 0 H3 ALA B 1 8.681 -18.897 -12.622 1.00 3.69 H new ATOM 0 HA ALA B 1 9.080 -16.110 -12.548 1.00 3.21 H new ATOM 0 HB1 ALA B 1 6.681 -16.157 -11.906 1.00 3.46 H new ATOM 0 HB2 ALA B 1 7.007 -17.299 -13.231 1.00 3.46 H new ATOM 0 HB3 ALA B 1 6.806 -17.900 -11.567 1.00 3.46 H new ATOM 1078 N PRO B 2 10.163 -16.254 -10.122 1.00 2.35 N ATOM 1079 CA PRO B 2 10.518 -15.949 -8.724 1.00 1.97 C ATOM 1080 C PRO B 2 9.670 -14.772 -8.218 1.00 1.70 C ATOM 1081 O PRO B 2 9.445 -13.807 -8.921 1.00 1.73 O ATOM 1082 CB PRO B 2 12.025 -15.594 -8.763 1.00 1.82 C ATOM 1083 CG PRO B 2 12.506 -15.762 -10.235 1.00 2.08 C ATOM 1084 CD PRO B 2 11.271 -16.112 -11.092 1.00 2.44 C ATOM 0 HA PRO B 2 10.328 -16.780 -8.045 1.00 1.97 H new ATOM 0 HB2 PRO B 2 12.187 -14.572 -8.421 1.00 1.82 H new ATOM 0 HB3 PRO B 2 12.590 -16.247 -8.098 1.00 1.82 H new ATOM 0 HG2 PRO B 2 12.973 -14.844 -10.593 1.00 2.08 H new ATOM 0 HG3 PRO B 2 13.256 -16.549 -10.305 1.00 2.08 H new ATOM 0 HD2 PRO B 2 11.061 -15.329 -11.820 1.00 2.44 H new ATOM 0 HD3 PRO B 2 11.427 -17.034 -11.652 1.00 2.44 H new ATOM 1092 N MET B 3 9.195 -14.851 -7.005 1.00 1.58 N ATOM 1093 CA MET B 3 8.360 -13.745 -6.457 1.00 1.46 C ATOM 1094 C MET B 3 9.266 -12.597 -6.003 1.00 1.12 C ATOM 1095 O MET B 3 10.421 -12.795 -5.682 1.00 0.94 O ATOM 1096 CB MET B 3 7.550 -14.266 -5.262 1.00 1.62 C ATOM 1097 CG MET B 3 7.109 -15.706 -5.529 1.00 2.03 C ATOM 1098 SD MET B 3 5.971 -16.238 -4.225 1.00 2.41 S ATOM 1099 CE MET B 3 6.459 -17.981 -4.186 1.00 3.28 C ATOM 0 H MET B 3 9.349 -15.634 -6.370 1.00 1.58 H new ATOM 0 HA MET B 3 7.680 -13.383 -7.228 1.00 1.46 H new ATOM 0 HB2 MET B 3 8.152 -14.222 -4.355 1.00 1.62 H new ATOM 0 HB3 MET B 3 6.678 -13.633 -5.097 1.00 1.62 H new ATOM 0 HG2 MET B 3 6.622 -15.774 -6.502 1.00 2.03 H new ATOM 0 HG3 MET B 3 7.977 -16.364 -5.560 1.00 2.03 H new ATOM 0 HE1 MET B 3 5.870 -18.507 -3.435 1.00 3.28 H new ATOM 0 HE2 MET B 3 6.284 -18.430 -5.164 1.00 3.28 H new ATOM 0 HE3 MET B 3 7.517 -18.057 -3.936 1.00 3.28 H new ATOM 1109 N GLY B 4 8.749 -11.400 -5.963 1.00 1.11 N ATOM 1110 CA GLY B 4 9.585 -10.251 -5.516 1.00 0.88 C ATOM 1111 C GLY B 4 10.189 -10.583 -4.153 1.00 0.61 C ATOM 1112 O GLY B 4 9.985 -11.658 -3.624 1.00 0.68 O ATOM 0 H GLY B 4 7.789 -11.169 -6.219 1.00 1.11 H new ATOM 0 HA2 GLY B 4 10.375 -10.054 -6.241 1.00 0.88 H new ATOM 0 HA3 GLY B 4 8.980 -9.347 -5.451 1.00 0.88 H new ATOM 1116 N SER B 5 10.931 -9.679 -3.573 1.00 0.45 N ATOM 1117 CA SER B 5 11.541 -9.965 -2.241 1.00 0.31 C ATOM 1118 C SER B 5 10.538 -9.601 -1.133 1.00 0.29 C ATOM 1119 O SER B 5 10.027 -10.458 -0.441 1.00 0.32 O ATOM 1120 CB SER B 5 12.843 -9.158 -2.094 1.00 0.51 C ATOM 1121 OG SER B 5 13.921 -10.054 -1.853 1.00 1.56 O ATOM 0 H SER B 5 11.141 -8.759 -3.961 1.00 0.45 H new ATOM 0 HA SER B 5 11.780 -11.025 -2.156 1.00 0.31 H new ATOM 0 HB2 SER B 5 13.030 -8.579 -2.998 1.00 0.51 H new ATOM 0 HB3 SER B 5 12.754 -8.447 -1.273 1.00 0.51 H new ATOM 0 HG SER B 5 14.754 -9.546 -1.760 1.00 1.56 H new ATOM 1127 N ASP B 6 10.255 -8.337 -0.962 1.00 0.25 N ATOM 1128 CA ASP B 6 9.288 -7.926 0.099 1.00 0.24 C ATOM 1129 C ASP B 6 8.752 -6.514 -0.231 1.00 0.22 C ATOM 1130 O ASP B 6 9.102 -5.550 0.423 1.00 0.20 O ATOM 1131 CB ASP B 6 10.010 -7.947 1.477 1.00 0.25 C ATOM 1132 CG ASP B 6 9.478 -9.094 2.351 1.00 1.29 C ATOM 1133 OD1 ASP B 6 9.133 -10.124 1.797 1.00 1.96 O ATOM 1134 OD2 ASP B 6 9.425 -8.917 3.557 1.00 2.10 O ATOM 0 H ASP B 6 10.650 -7.572 -1.509 1.00 0.25 H new ATOM 0 HA ASP B 6 8.444 -8.615 0.141 1.00 0.24 H new ATOM 0 HB2 ASP B 6 11.084 -8.064 1.329 1.00 0.25 H new ATOM 0 HB3 ASP B 6 9.860 -6.995 1.986 1.00 0.25 H new ATOM 1139 N PRO B 7 7.922 -6.422 -1.249 1.00 0.24 N ATOM 1140 CA PRO B 7 7.355 -5.124 -1.662 1.00 0.23 C ATOM 1141 C PRO B 7 6.447 -4.567 -0.543 1.00 0.22 C ATOM 1142 O PRO B 7 6.090 -5.291 0.365 1.00 0.22 O ATOM 1143 CB PRO B 7 6.540 -5.439 -2.942 1.00 0.28 C ATOM 1144 CG PRO B 7 6.687 -6.963 -3.228 1.00 0.30 C ATOM 1145 CD PRO B 7 7.495 -7.579 -2.066 1.00 0.29 C ATOM 0 HA PRO B 7 8.118 -4.368 -1.849 1.00 0.23 H new ATOM 0 HB2 PRO B 7 5.492 -5.174 -2.804 1.00 0.28 H new ATOM 0 HB3 PRO B 7 6.908 -4.854 -3.785 1.00 0.28 H new ATOM 0 HG2 PRO B 7 5.707 -7.434 -3.306 1.00 0.30 H new ATOM 0 HG3 PRO B 7 7.196 -7.127 -4.178 1.00 0.30 H new ATOM 0 HD2 PRO B 7 6.886 -8.271 -1.484 1.00 0.29 H new ATOM 0 HD3 PRO B 7 8.353 -8.141 -2.435 1.00 0.29 H new ATOM 1153 N PRO B 8 6.086 -3.302 -0.642 1.00 0.22 N ATOM 1154 CA PRO B 8 5.206 -2.668 0.361 1.00 0.23 C ATOM 1155 C PRO B 8 3.842 -3.380 0.372 1.00 0.24 C ATOM 1156 O PRO B 8 3.719 -4.507 -0.061 1.00 0.24 O ATOM 1157 CB PRO B 8 5.068 -1.198 -0.104 1.00 0.25 C ATOM 1158 CG PRO B 8 5.774 -1.080 -1.486 1.00 0.26 C ATOM 1159 CD PRO B 8 6.517 -2.410 -1.742 1.00 0.25 C ATOM 0 HA PRO B 8 5.602 -2.728 1.375 1.00 0.23 H new ATOM 0 HB2 PRO B 8 4.018 -0.918 -0.184 1.00 0.25 H new ATOM 0 HB3 PRO B 8 5.524 -0.522 0.619 1.00 0.25 H new ATOM 0 HG2 PRO B 8 5.045 -0.890 -2.274 1.00 0.26 H new ATOM 0 HG3 PRO B 8 6.473 -0.243 -1.490 1.00 0.26 H new ATOM 0 HD2 PRO B 8 6.257 -2.827 -2.715 1.00 0.25 H new ATOM 0 HD3 PRO B 8 7.598 -2.267 -1.735 1.00 0.25 H new ATOM 1167 N THR B 9 2.819 -2.725 0.858 1.00 0.25 N ATOM 1168 CA THR B 9 1.469 -3.364 0.889 1.00 0.26 C ATOM 1169 C THR B 9 0.391 -2.283 0.899 1.00 0.26 C ATOM 1170 O THR B 9 0.394 -1.393 1.727 1.00 0.27 O ATOM 1171 CB THR B 9 1.337 -4.224 2.145 1.00 0.27 C ATOM 1172 OG1 THR B 9 2.498 -5.030 2.290 1.00 0.26 O ATOM 1173 CG2 THR B 9 0.099 -5.120 2.029 1.00 0.30 C ATOM 0 H THR B 9 2.860 -1.778 1.234 1.00 0.25 H new ATOM 0 HA THR B 9 1.347 -3.991 0.005 1.00 0.26 H new ATOM 0 HB THR B 9 1.232 -3.578 3.017 1.00 0.27 H new ATOM 0 HG1 THR B 9 2.485 -5.468 3.167 1.00 0.26 H new ATOM 0 HG21 THR B 9 0.008 -5.732 2.926 1.00 0.30 H new ATOM 0 HG22 THR B 9 -0.791 -4.499 1.921 1.00 0.30 H new ATOM 0 HG23 THR B 9 0.198 -5.767 1.157 1.00 0.30 H new ATOM 1181 N ALA B 10 -0.532 -2.356 -0.017 1.00 0.25 N ATOM 1182 CA ALA B 10 -1.617 -1.342 -0.072 1.00 0.24 C ATOM 1183 C ALA B 10 -2.541 -1.506 1.137 1.00 0.24 C ATOM 1184 O ALA B 10 -3.590 -2.112 1.047 1.00 0.23 O ATOM 1185 CB ALA B 10 -2.423 -1.536 -1.357 1.00 0.24 C ATOM 0 H ALA B 10 -0.581 -3.080 -0.734 1.00 0.25 H new ATOM 0 HA ALA B 10 -1.180 -0.343 -0.057 1.00 0.24 H new ATOM 0 HB1 ALA B 10 -3.220 -0.794 -1.402 1.00 0.24 H new ATOM 0 HB2 ALA B 10 -1.767 -1.416 -2.219 1.00 0.24 H new ATOM 0 HB3 ALA B 10 -2.857 -2.536 -1.367 1.00 0.24 H new ATOM 1191 N CYS B 11 -2.163 -0.957 2.264 1.00 0.24 N ATOM 1192 CA CYS B 11 -3.014 -1.059 3.491 1.00 0.24 C ATOM 1193 C CYS B 11 -3.620 0.315 3.778 1.00 0.23 C ATOM 1194 O CYS B 11 -2.958 1.329 3.664 1.00 0.25 O ATOM 1195 CB CYS B 11 -2.150 -1.497 4.678 1.00 0.24 C ATOM 1196 SG CYS B 11 -1.264 -3.020 4.257 1.00 0.25 S ATOM 0 H CYS B 11 -1.294 -0.438 2.388 1.00 0.24 H new ATOM 0 HA CYS B 11 -3.806 -1.792 3.337 1.00 0.24 H new ATOM 0 HB2 CYS B 11 -1.440 -0.710 4.934 1.00 0.24 H new ATOM 0 HB3 CYS B 11 -2.776 -1.659 5.556 1.00 0.24 H new ATOM 1201 N CYS B 12 -4.871 0.364 4.137 1.00 0.21 N ATOM 1202 CA CYS B 12 -5.510 1.680 4.418 1.00 0.21 C ATOM 1203 C CYS B 12 -4.992 2.227 5.749 1.00 0.22 C ATOM 1204 O CYS B 12 -4.787 1.495 6.696 1.00 0.25 O ATOM 1205 CB CYS B 12 -7.031 1.509 4.495 1.00 0.19 C ATOM 1206 SG CYS B 12 -7.662 0.976 2.884 1.00 0.20 S ATOM 0 H CYS B 12 -5.478 -0.448 4.248 1.00 0.21 H new ATOM 0 HA CYS B 12 -5.264 2.377 3.617 1.00 0.21 H new ATOM 0 HB2 CYS B 12 -7.287 0.774 5.259 1.00 0.19 H new ATOM 0 HB3 CYS B 12 -7.499 2.449 4.788 1.00 0.19 H new ATOM 1211 N PHE B 13 -4.789 3.517 5.827 1.00 0.21 N ATOM 1212 CA PHE B 13 -4.293 4.136 7.095 1.00 0.22 C ATOM 1213 C PHE B 13 -5.476 4.786 7.811 1.00 0.20 C ATOM 1214 O PHE B 13 -5.436 5.057 8.995 1.00 0.21 O ATOM 1215 CB PHE B 13 -3.249 5.206 6.760 1.00 0.24 C ATOM 1216 CG PHE B 13 -3.913 6.338 6.013 1.00 0.24 C ATOM 1217 CD1 PHE B 13 -4.216 6.196 4.646 1.00 0.24 C ATOM 1218 CD2 PHE B 13 -4.236 7.533 6.685 1.00 0.26 C ATOM 1219 CE1 PHE B 13 -4.841 7.248 3.950 1.00 0.26 C ATOM 1220 CE2 PHE B 13 -4.861 8.585 5.990 1.00 0.28 C ATOM 1221 CZ PHE B 13 -5.164 8.442 4.622 1.00 0.28 C ATOM 0 H PHE B 13 -4.946 4.173 5.062 1.00 0.21 H new ATOM 0 HA PHE B 13 -3.840 3.378 7.734 1.00 0.22 H new ATOM 0 HB2 PHE B 13 -2.789 5.580 7.675 1.00 0.24 H new ATOM 0 HB3 PHE B 13 -2.451 4.775 6.155 1.00 0.24 H new ATOM 0 HD1 PHE B 13 -3.969 5.280 4.131 1.00 0.24 H new ATOM 0 HD2 PHE B 13 -4.004 7.642 7.734 1.00 0.26 H new ATOM 0 HE1 PHE B 13 -5.073 7.139 2.901 1.00 0.26 H new ATOM 0 HE2 PHE B 13 -5.108 9.501 6.505 1.00 0.28 H new ATOM 0 HZ PHE B 13 -5.644 9.249 4.088 1.00 0.28 H new ATOM 1231 N SER B 14 -6.532 5.035 7.087 1.00 0.17 N ATOM 1232 CA SER B 14 -7.737 5.664 7.691 1.00 0.16 C ATOM 1233 C SER B 14 -8.955 5.301 6.843 1.00 0.15 C ATOM 1234 O SER B 14 -8.974 4.285 6.176 1.00 0.14 O ATOM 1235 CB SER B 14 -7.564 7.182 7.718 1.00 0.16 C ATOM 1236 OG SER B 14 -7.381 7.658 6.390 1.00 0.19 O ATOM 0 H SER B 14 -6.611 4.827 6.092 1.00 0.17 H new ATOM 0 HA SER B 14 -7.873 5.304 8.711 1.00 0.16 H new ATOM 0 HB2 SER B 14 -8.439 7.651 8.167 1.00 0.16 H new ATOM 0 HB3 SER B 14 -6.706 7.451 8.334 1.00 0.16 H new ATOM 0 HG SER B 14 -6.428 7.638 6.164 1.00 0.19 H new ATOM 1242 N TYR B 15 -9.977 6.113 6.860 1.00 0.18 N ATOM 1243 CA TYR B 15 -11.192 5.799 6.050 1.00 0.19 C ATOM 1244 C TYR B 15 -11.926 7.099 5.720 1.00 0.24 C ATOM 1245 O TYR B 15 -11.711 8.116 6.347 1.00 0.30 O ATOM 1246 CB TYR B 15 -12.119 4.880 6.857 1.00 0.21 C ATOM 1247 CG TYR B 15 -11.292 3.867 7.609 1.00 0.20 C ATOM 1248 CD1 TYR B 15 -10.821 4.169 8.901 1.00 0.23 C ATOM 1249 CD2 TYR B 15 -10.987 2.626 7.021 1.00 0.18 C ATOM 1250 CE1 TYR B 15 -10.045 3.230 9.606 1.00 0.24 C ATOM 1251 CE2 TYR B 15 -10.210 1.686 7.726 1.00 0.20 C ATOM 1252 CZ TYR B 15 -9.740 1.987 9.018 1.00 0.22 C ATOM 1253 OH TYR B 15 -8.979 1.064 9.708 1.00 0.26 O ATOM 0 H TYR B 15 -10.025 6.978 7.398 1.00 0.18 H new ATOM 0 HA TYR B 15 -10.899 5.299 5.127 1.00 0.19 H new ATOM 0 HB2 TYR B 15 -12.715 5.469 7.554 1.00 0.21 H new ATOM 0 HB3 TYR B 15 -12.817 4.373 6.190 1.00 0.21 H new ATOM 0 HD1 TYR B 15 -11.055 5.122 9.352 1.00 0.23 H new ATOM 0 HD2 TYR B 15 -11.348 2.394 6.030 1.00 0.18 H new ATOM 0 HE1 TYR B 15 -9.684 3.462 10.597 1.00 0.24 H new ATOM 0 HE2 TYR B 15 -9.975 0.733 7.275 1.00 0.20 H new ATOM 0 HH TYR B 15 -8.863 0.260 9.159 1.00 0.26 H new ATOM 1263 N THR B 16 -12.799 7.076 4.748 1.00 0.22 N ATOM 1264 CA THR B 16 -13.546 8.319 4.409 1.00 0.28 C ATOM 1265 C THR B 16 -14.346 8.752 5.642 1.00 0.33 C ATOM 1266 O THR B 16 -14.005 8.406 6.756 1.00 0.37 O ATOM 1267 CB THR B 16 -14.475 8.064 3.212 1.00 0.27 C ATOM 1268 OG1 THR B 16 -15.239 9.231 2.944 1.00 0.36 O ATOM 1269 CG2 THR B 16 -15.414 6.895 3.511 1.00 0.26 C ATOM 0 H THR B 16 -13.025 6.259 4.180 1.00 0.22 H new ATOM 0 HA THR B 16 -12.854 9.113 4.129 1.00 0.28 H new ATOM 0 HB THR B 16 -13.868 7.817 2.341 1.00 0.27 H new ATOM 0 HG1 THR B 16 -15.830 9.067 2.179 1.00 0.36 H new ATOM 0 HG21 THR B 16 -16.067 6.725 2.655 1.00 0.26 H new ATOM 0 HG22 THR B 16 -14.827 5.997 3.704 1.00 0.26 H new ATOM 0 HG23 THR B 16 -16.018 7.129 4.387 1.00 0.26 H new ATOM 1277 N ALA B 17 -15.396 9.511 5.472 1.00 0.38 N ATOM 1278 CA ALA B 17 -16.191 9.960 6.659 1.00 0.45 C ATOM 1279 C ALA B 17 -17.674 10.038 6.295 1.00 0.48 C ATOM 1280 O ALA B 17 -18.496 10.420 7.104 1.00 0.63 O ATOM 1281 CB ALA B 17 -15.699 11.343 7.095 1.00 0.53 C ATOM 0 H ALA B 17 -15.738 9.839 4.569 1.00 0.38 H new ATOM 0 HA ALA B 17 -16.063 9.246 7.473 1.00 0.45 H new ATOM 0 HB1 ALA B 17 -16.273 11.678 7.959 1.00 0.53 H new ATOM 0 HB2 ALA B 17 -14.643 11.287 7.360 1.00 0.53 H new ATOM 0 HB3 ALA B 17 -15.830 12.051 6.276 1.00 0.53 H new ATOM 1287 N ARG B 18 -18.024 9.675 5.087 1.00 0.47 N ATOM 1288 CA ARG B 18 -19.457 9.725 4.659 1.00 0.48 C ATOM 1289 C ARG B 18 -19.788 8.465 3.855 1.00 0.40 C ATOM 1290 O ARG B 18 -19.017 8.029 3.024 1.00 0.36 O ATOM 1291 CB ARG B 18 -19.673 10.963 3.780 1.00 0.53 C ATOM 1292 CG ARG B 18 -19.681 12.245 4.660 1.00 0.71 C ATOM 1293 CD ARG B 18 -18.972 13.407 3.948 1.00 1.17 C ATOM 1294 NE ARG B 18 -19.867 13.971 2.900 1.00 1.90 N ATOM 1295 CZ ARG B 18 -19.582 15.119 2.351 1.00 2.49 C ATOM 1296 NH1 ARG B 18 -18.486 15.743 2.681 1.00 2.62 N ATOM 1297 NH2 ARG B 18 -20.387 15.637 1.466 1.00 3.48 N ATOM 0 H ARG B 18 -17.375 9.344 4.373 1.00 0.47 H new ATOM 0 HA ARG B 18 -20.104 9.778 5.534 1.00 0.48 H new ATOM 0 HB2 ARG B 18 -18.883 11.030 3.032 1.00 0.53 H new ATOM 0 HB3 ARG B 18 -20.616 10.876 3.241 1.00 0.53 H new ATOM 0 HG2 ARG B 18 -20.709 12.527 4.889 1.00 0.71 H new ATOM 0 HG3 ARG B 18 -19.188 12.041 5.610 1.00 0.71 H new ATOM 0 HD2 ARG B 18 -18.706 14.181 4.669 1.00 1.17 H new ATOM 0 HD3 ARG B 18 -18.043 13.058 3.498 1.00 1.17 H new ATOM 0 HE ARG B 18 -20.702 13.460 2.612 1.00 1.90 H new ATOM 0 HH11 ARG B 18 -17.853 15.333 3.368 1.00 2.62 H new ATOM 0 HH12 ARG B 18 -18.262 16.641 2.252 1.00 2.62 H new ATOM 0 HH21 ARG B 18 -21.240 15.144 1.203 1.00 3.48 H new ATOM 0 HH22 ARG B 18 -20.163 16.535 1.037 1.00 3.48 H new ATOM 1311 N LYS B 19 -20.927 7.877 4.097 1.00 0.39 N ATOM 1312 CA LYS B 19 -21.300 6.646 3.345 1.00 0.34 C ATOM 1313 C LYS B 19 -21.466 6.985 1.865 1.00 0.29 C ATOM 1314 O LYS B 19 -22.159 7.913 1.498 1.00 0.31 O ATOM 1315 CB LYS B 19 -22.620 6.081 3.904 1.00 0.39 C ATOM 1316 CG LYS B 19 -23.051 4.815 3.124 1.00 0.43 C ATOM 1317 CD LYS B 19 -24.573 4.594 3.206 1.00 0.66 C ATOM 1318 CE LYS B 19 -25.098 4.822 4.634 1.00 0.85 C ATOM 1319 NZ LYS B 19 -25.500 6.252 4.786 1.00 1.74 N ATOM 0 H LYS B 19 -21.614 8.195 4.781 1.00 0.39 H new ATOM 0 HA LYS B 19 -20.515 5.898 3.456 1.00 0.34 H new ATOM 0 HB2 LYS B 19 -22.499 5.839 4.960 1.00 0.39 H new ATOM 0 HB3 LYS B 19 -23.402 6.838 3.838 1.00 0.39 H new ATOM 0 HG2 LYS B 19 -22.751 4.910 2.080 1.00 0.43 H new ATOM 0 HG3 LYS B 19 -22.533 3.944 3.526 1.00 0.43 H new ATOM 0 HD2 LYS B 19 -25.078 5.273 2.519 1.00 0.66 H new ATOM 0 HD3 LYS B 19 -24.813 3.580 2.886 1.00 0.66 H new ATOM 0 HE2 LYS B 19 -25.949 4.170 4.830 1.00 0.85 H new ATOM 0 HE3 LYS B 19 -24.328 4.569 5.362 1.00 0.85 H new ATOM 0 HZ1 LYS B 19 -24.851 6.727 5.445 1.00 1.74 H new ATOM 0 HZ2 LYS B 19 -25.460 6.724 3.860 1.00 1.74 H new ATOM 0 HZ3 LYS B 19 -26.470 6.302 5.159 1.00 1.74 H new ATOM 1333 N LEU B 20 -20.850 6.216 1.011 1.00 0.25 N ATOM 1334 CA LEU B 20 -20.986 6.462 -0.446 1.00 0.24 C ATOM 1335 C LEU B 20 -22.380 5.967 -0.889 1.00 0.26 C ATOM 1336 O LEU B 20 -22.673 4.804 -0.695 1.00 0.26 O ATOM 1337 CB LEU B 20 -19.922 5.656 -1.203 1.00 0.23 C ATOM 1338 CG LEU B 20 -18.568 5.737 -0.493 1.00 0.20 C ATOM 1339 CD1 LEU B 20 -17.568 4.868 -1.252 1.00 0.20 C ATOM 1340 CD2 LEU B 20 -18.060 7.183 -0.477 1.00 0.24 C ATOM 0 H LEU B 20 -20.257 5.426 1.263 1.00 0.25 H new ATOM 0 HA LEU B 20 -20.862 7.524 -0.658 1.00 0.24 H new ATOM 0 HB2 LEU B 20 -20.235 4.615 -1.280 1.00 0.23 H new ATOM 0 HB3 LEU B 20 -19.827 6.036 -2.220 1.00 0.23 H new ATOM 0 HG LEU B 20 -18.678 5.390 0.534 1.00 0.20 H new ATOM 0 HD11 LEU B 20 -16.597 4.915 -0.759 1.00 0.20 H new ATOM 0 HD12 LEU B 20 -17.919 3.836 -1.265 1.00 0.20 H new ATOM 0 HD13 LEU B 20 -17.473 5.232 -2.275 1.00 0.20 H new ATOM 0 HD21 LEU B 20 -17.097 7.225 0.031 1.00 0.24 H new ATOM 0 HD22 LEU B 20 -17.946 7.540 -1.501 1.00 0.24 H new ATOM 0 HD23 LEU B 20 -18.776 7.814 0.050 1.00 0.24 H new ATOM 1352 N PRO B 21 -23.212 6.810 -1.473 1.00 0.30 N ATOM 1353 CA PRO B 21 -24.539 6.350 -1.911 1.00 0.34 C ATOM 1354 C PRO B 21 -24.378 5.155 -2.851 1.00 0.30 C ATOM 1355 O PRO B 21 -23.463 5.106 -3.646 1.00 0.29 O ATOM 1356 CB PRO B 21 -25.162 7.557 -2.647 1.00 0.40 C ATOM 1357 CG PRO B 21 -24.202 8.764 -2.449 1.00 0.41 C ATOM 1358 CD PRO B 21 -22.931 8.238 -1.746 1.00 0.34 C ATOM 0 HA PRO B 21 -25.169 6.024 -1.083 1.00 0.34 H new ATOM 0 HB2 PRO B 21 -25.289 7.337 -3.707 1.00 0.40 H new ATOM 0 HB3 PRO B 21 -26.151 7.783 -2.247 1.00 0.40 H new ATOM 0 HG2 PRO B 21 -23.950 9.215 -3.409 1.00 0.41 H new ATOM 0 HG3 PRO B 21 -24.679 9.539 -1.849 1.00 0.41 H new ATOM 0 HD2 PRO B 21 -22.052 8.354 -2.380 1.00 0.34 H new ATOM 0 HD3 PRO B 21 -22.734 8.785 -0.824 1.00 0.34 H new ATOM 1366 N ARG B 22 -25.262 4.199 -2.783 1.00 0.31 N ATOM 1367 CA ARG B 22 -25.156 3.028 -3.697 1.00 0.30 C ATOM 1368 C ARG B 22 -24.975 3.550 -5.124 1.00 0.32 C ATOM 1369 O ARG B 22 -24.362 2.923 -5.964 1.00 0.32 O ATOM 1370 CB ARG B 22 -26.439 2.196 -3.602 1.00 0.34 C ATOM 1371 CG ARG B 22 -26.228 0.821 -4.247 1.00 0.59 C ATOM 1372 CD ARG B 22 -27.423 -0.082 -3.919 1.00 1.27 C ATOM 1373 NE ARG B 22 -27.082 -1.513 -4.216 1.00 1.33 N ATOM 1374 CZ ARG B 22 -26.693 -1.893 -5.404 1.00 2.02 C ATOM 1375 NH1 ARG B 22 -26.756 -1.070 -6.417 1.00 2.86 N ATOM 1376 NH2 ARG B 22 -26.291 -3.121 -5.591 1.00 2.33 N ATOM 0 H ARG B 22 -26.051 4.178 -2.136 1.00 0.31 H new ATOM 0 HA ARG B 22 -24.308 2.401 -3.421 1.00 0.30 H new ATOM 0 HB2 ARG B 22 -26.726 2.075 -2.557 1.00 0.34 H new ATOM 0 HB3 ARG B 22 -27.257 2.717 -4.099 1.00 0.34 H new ATOM 0 HG2 ARG B 22 -26.122 0.926 -5.327 1.00 0.59 H new ATOM 0 HG3 ARG B 22 -25.306 0.371 -3.878 1.00 0.59 H new ATOM 0 HD2 ARG B 22 -27.693 0.026 -2.868 1.00 1.27 H new ATOM 0 HD3 ARG B 22 -28.291 0.223 -4.504 1.00 1.27 H new ATOM 0 HE ARG B 22 -27.156 -2.206 -3.472 1.00 1.33 H new ATOM 0 HH11 ARG B 22 -27.111 -0.123 -6.283 1.00 2.86 H new ATOM 0 HH12 ARG B 22 -26.450 -1.374 -7.341 1.00 2.86 H new ATOM 0 HH21 ARG B 22 -26.282 -3.779 -4.812 1.00 2.33 H new ATOM 0 HH22 ARG B 22 -25.986 -3.423 -6.517 1.00 2.33 H new ATOM 1390 N ASN B 23 -25.511 4.712 -5.386 1.00 0.34 N ATOM 1391 CA ASN B 23 -25.391 5.321 -6.740 1.00 0.38 C ATOM 1392 C ASN B 23 -23.955 5.830 -6.946 1.00 0.36 C ATOM 1393 O ASN B 23 -23.680 6.584 -7.858 1.00 0.39 O ATOM 1394 CB ASN B 23 -26.394 6.493 -6.838 1.00 0.43 C ATOM 1395 CG ASN B 23 -26.955 6.628 -8.260 1.00 1.47 C ATOM 1396 OD1 ASN B 23 -26.781 5.755 -9.090 1.00 2.12 O ATOM 1397 ND2 ASN B 23 -27.632 7.697 -8.576 1.00 2.42 N ATOM 0 H ASN B 23 -26.033 5.271 -4.711 1.00 0.34 H new ATOM 0 HA ASN B 23 -25.613 4.583 -7.511 1.00 0.38 H new ATOM 0 HB2 ASN B 23 -27.212 6.334 -6.135 1.00 0.43 H new ATOM 0 HB3 ASN B 23 -25.901 7.421 -6.549 1.00 0.43 H new ATOM 0 HD21 ASN B 23 -28.014 7.799 -9.516 1.00 2.42 H new ATOM 0 HD22 ASN B 23 -27.780 8.431 -7.883 1.00 2.42 H new ATOM 1404 N PHE B 24 -23.045 5.432 -6.094 1.00 0.33 N ATOM 1405 CA PHE B 24 -21.626 5.902 -6.217 1.00 0.32 C ATOM 1406 C PHE B 24 -20.688 4.732 -5.899 1.00 0.28 C ATOM 1407 O PHE B 24 -19.584 4.919 -5.427 1.00 0.27 O ATOM 1408 CB PHE B 24 -21.396 7.044 -5.207 1.00 0.31 C ATOM 1409 CG PHE B 24 -20.214 7.903 -5.616 1.00 0.33 C ATOM 1410 CD1 PHE B 24 -20.219 8.577 -6.857 1.00 0.36 C ATOM 1411 CD2 PHE B 24 -19.110 8.045 -4.749 1.00 0.32 C ATOM 1412 CE1 PHE B 24 -19.126 9.385 -7.224 1.00 0.39 C ATOM 1413 CE2 PHE B 24 -18.018 8.852 -5.119 1.00 0.34 C ATOM 1414 CZ PHE B 24 -18.025 9.520 -6.354 1.00 0.38 C ATOM 0 H PHE B 24 -23.222 4.799 -5.314 1.00 0.33 H new ATOM 0 HA PHE B 24 -21.428 6.261 -7.227 1.00 0.32 H new ATOM 0 HB2 PHE B 24 -22.292 7.661 -5.140 1.00 0.31 H new ATOM 0 HB3 PHE B 24 -21.221 6.627 -4.215 1.00 0.31 H new ATOM 0 HD1 PHE B 24 -21.061 8.473 -7.525 1.00 0.36 H new ATOM 0 HD2 PHE B 24 -19.103 7.533 -3.798 1.00 0.32 H new ATOM 0 HE1 PHE B 24 -19.131 9.902 -8.172 1.00 0.39 H new ATOM 0 HE2 PHE B 24 -17.174 8.958 -4.453 1.00 0.34 H new ATOM 0 HZ PHE B 24 -17.186 10.138 -6.638 1.00 0.38 H new ATOM 1424 N VAL B 25 -21.125 3.524 -6.153 1.00 0.28 N ATOM 1425 CA VAL B 25 -20.272 2.332 -5.861 1.00 0.26 C ATOM 1426 C VAL B 25 -20.571 1.231 -6.883 1.00 0.29 C ATOM 1427 O VAL B 25 -21.489 0.453 -6.721 1.00 0.30 O ATOM 1428 CB VAL B 25 -20.590 1.812 -4.451 1.00 0.23 C ATOM 1429 CG1 VAL B 25 -19.626 0.659 -4.068 1.00 0.21 C ATOM 1430 CG2 VAL B 25 -20.454 2.969 -3.448 1.00 0.21 C ATOM 0 H VAL B 25 -22.040 3.312 -6.552 1.00 0.28 H new ATOM 0 HA VAL B 25 -19.220 2.613 -5.921 1.00 0.26 H new ATOM 0 HB VAL B 25 -21.609 1.426 -4.430 1.00 0.23 H new ATOM 0 HG11 VAL B 25 -19.865 0.302 -3.066 1.00 0.21 H new ATOM 0 HG12 VAL B 25 -19.736 -0.159 -4.780 1.00 0.21 H new ATOM 0 HG13 VAL B 25 -18.598 1.022 -4.088 1.00 0.21 H new ATOM 0 HG21 VAL B 25 -20.678 2.608 -2.444 1.00 0.21 H new ATOM 0 HG22 VAL B 25 -19.436 3.357 -3.475 1.00 0.21 H new ATOM 0 HG23 VAL B 25 -21.152 3.764 -3.712 1.00 0.21 H new ATOM 1440 N VAL B 26 -19.801 1.162 -7.939 1.00 0.31 N ATOM 1441 CA VAL B 26 -20.036 0.117 -8.978 1.00 0.35 C ATOM 1442 C VAL B 26 -19.248 -1.145 -8.632 1.00 0.34 C ATOM 1443 O VAL B 26 -19.453 -2.190 -9.215 1.00 0.36 O ATOM 1444 CB VAL B 26 -19.567 0.641 -10.336 1.00 0.39 C ATOM 1445 CG1 VAL B 26 -20.416 1.847 -10.739 1.00 0.85 C ATOM 1446 CG2 VAL B 26 -18.094 1.055 -10.246 1.00 0.66 C ATOM 0 H VAL B 26 -19.017 1.787 -8.126 1.00 0.31 H new ATOM 0 HA VAL B 26 -21.100 -0.118 -9.016 1.00 0.35 H new ATOM 0 HB VAL B 26 -19.676 -0.144 -11.085 1.00 0.39 H new ATOM 0 HG11 VAL B 26 -20.082 2.220 -11.707 1.00 0.85 H new ATOM 0 HG12 VAL B 26 -21.462 1.549 -10.807 1.00 0.85 H new ATOM 0 HG13 VAL B 26 -20.310 2.633 -9.991 1.00 0.85 H new ATOM 0 HG21 VAL B 26 -17.761 1.428 -11.215 1.00 0.66 H new ATOM 0 HG22 VAL B 26 -17.981 1.839 -9.497 1.00 0.66 H new ATOM 0 HG23 VAL B 26 -17.490 0.193 -9.962 1.00 0.66 H new ATOM 1456 N ASP B 27 -18.345 -1.060 -7.697 1.00 0.31 N ATOM 1457 CA ASP B 27 -17.549 -2.266 -7.337 1.00 0.30 C ATOM 1458 C ASP B 27 -16.753 -1.989 -6.068 1.00 0.26 C ATOM 1459 O ASP B 27 -16.912 -0.965 -5.434 1.00 0.24 O ATOM 1460 CB ASP B 27 -16.581 -2.591 -8.478 1.00 0.34 C ATOM 1461 CG ASP B 27 -16.016 -3.999 -8.280 1.00 0.34 C ATOM 1462 OD1 ASP B 27 -16.788 -4.887 -7.958 1.00 1.02 O ATOM 1463 OD2 ASP B 27 -14.819 -4.165 -8.452 1.00 1.06 O ATOM 0 H ASP B 27 -18.124 -0.215 -7.170 1.00 0.31 H new ATOM 0 HA ASP B 27 -18.220 -3.109 -7.171 1.00 0.30 H new ATOM 0 HB2 ASP B 27 -17.096 -2.525 -9.436 1.00 0.34 H new ATOM 0 HB3 ASP B 27 -15.771 -1.862 -8.501 1.00 0.34 H new ATOM 1468 N TYR B 28 -15.892 -2.892 -5.691 1.00 0.26 N ATOM 1469 CA TYR B 28 -15.083 -2.674 -4.464 1.00 0.22 C ATOM 1470 C TYR B 28 -13.809 -3.510 -4.522 1.00 0.24 C ATOM 1471 O TYR B 28 -13.527 -4.182 -5.493 1.00 0.28 O ATOM 1472 CB TYR B 28 -15.900 -3.041 -3.220 1.00 0.19 C ATOM 1473 CG TYR B 28 -16.027 -4.546 -3.079 1.00 0.20 C ATOM 1474 CD1 TYR B 28 -16.701 -5.295 -4.064 1.00 0.24 C ATOM 1475 CD2 TYR B 28 -15.487 -5.195 -1.951 1.00 0.19 C ATOM 1476 CE1 TYR B 28 -16.831 -6.689 -3.923 1.00 0.26 C ATOM 1477 CE2 TYR B 28 -15.618 -6.588 -1.807 1.00 0.22 C ATOM 1478 CZ TYR B 28 -16.291 -7.337 -2.793 1.00 0.25 C ATOM 1479 OH TYR B 28 -16.421 -8.704 -2.653 1.00 0.28 O ATOM 0 H TYR B 28 -15.715 -3.770 -6.180 1.00 0.26 H new ATOM 0 HA TYR B 28 -14.810 -1.620 -4.405 1.00 0.22 H new ATOM 0 HB2 TYR B 28 -15.422 -2.628 -2.332 1.00 0.19 H new ATOM 0 HB3 TYR B 28 -16.892 -2.593 -3.286 1.00 0.19 H new ATOM 0 HD1 TYR B 28 -17.118 -4.799 -4.928 1.00 0.24 H new ATOM 0 HD2 TYR B 28 -14.971 -4.621 -1.195 1.00 0.19 H new ATOM 0 HE1 TYR B 28 -17.344 -7.263 -4.680 1.00 0.26 H new ATOM 0 HE2 TYR B 28 -15.203 -7.083 -0.942 1.00 0.22 H new ATOM 0 HH TYR B 28 -15.992 -8.990 -1.820 1.00 0.28 H new ATOM 1489 N TYR B 29 -13.037 -3.450 -3.483 1.00 0.21 N ATOM 1490 CA TYR B 29 -11.763 -4.205 -3.439 1.00 0.24 C ATOM 1491 C TYR B 29 -11.337 -4.330 -1.972 1.00 0.21 C ATOM 1492 O TYR B 29 -11.519 -3.418 -1.195 1.00 0.21 O ATOM 1493 CB TYR B 29 -10.719 -3.425 -4.257 1.00 0.27 C ATOM 1494 CG TYR B 29 -9.316 -3.841 -3.878 1.00 0.29 C ATOM 1495 CD1 TYR B 29 -8.867 -5.138 -4.179 1.00 0.35 C ATOM 1496 CD2 TYR B 29 -8.462 -2.930 -3.227 1.00 0.32 C ATOM 1497 CE1 TYR B 29 -7.560 -5.529 -3.828 1.00 0.37 C ATOM 1498 CE2 TYR B 29 -7.155 -3.319 -2.876 1.00 0.34 C ATOM 1499 CZ TYR B 29 -6.704 -4.619 -3.176 1.00 0.33 C ATOM 1500 OH TYR B 29 -5.422 -5.001 -2.832 1.00 0.36 O ATOM 0 H TYR B 29 -13.238 -2.900 -2.647 1.00 0.21 H new ATOM 0 HA TYR B 29 -11.866 -5.204 -3.862 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -10.880 -3.600 -5.321 1.00 0.27 H new ATOM 0 HB3 TYR B 29 -10.844 -2.355 -4.088 1.00 0.27 H new ATOM 0 HD1 TYR B 29 -9.523 -5.835 -4.679 1.00 0.35 H new ATOM 0 HD2 TYR B 29 -8.809 -1.934 -2.997 1.00 0.32 H new ATOM 0 HE1 TYR B 29 -7.214 -6.526 -4.058 1.00 0.37 H new ATOM 0 HE2 TYR B 29 -6.499 -2.621 -2.377 1.00 0.34 H new ATOM 0 HH TYR B 29 -4.966 -4.254 -2.391 1.00 0.36 H new ATOM 1510 N GLU B 30 -10.782 -5.446 -1.580 1.00 0.21 N ATOM 1511 CA GLU B 30 -10.353 -5.609 -0.154 1.00 0.19 C ATOM 1512 C GLU B 30 -8.849 -5.338 -0.047 1.00 0.19 C ATOM 1513 O GLU B 30 -8.113 -5.484 -1.003 1.00 0.21 O ATOM 1514 CB GLU B 30 -10.655 -7.037 0.307 1.00 0.20 C ATOM 1515 CG GLU B 30 -12.153 -7.179 0.588 1.00 0.22 C ATOM 1516 CD GLU B 30 -12.517 -8.662 0.685 1.00 0.77 C ATOM 1517 OE1 GLU B 30 -11.618 -9.480 0.591 1.00 1.41 O ATOM 1518 OE2 GLU B 30 -13.691 -8.954 0.850 1.00 1.53 O ATOM 0 H GLU B 30 -10.606 -6.251 -2.181 1.00 0.21 H new ATOM 0 HA GLU B 30 -10.895 -4.905 0.478 1.00 0.19 H new ATOM 0 HB2 GLU B 30 -10.349 -7.750 -0.459 1.00 0.20 H new ATOM 0 HB3 GLU B 30 -10.083 -7.269 1.205 1.00 0.20 H new ATOM 0 HG2 GLU B 30 -12.409 -6.669 1.517 1.00 0.22 H new ATOM 0 HG3 GLU B 30 -12.729 -6.704 -0.206 1.00 0.22 H new ATOM 1525 N THR B 31 -8.390 -4.935 1.106 1.00 0.18 N ATOM 1526 CA THR B 31 -6.935 -4.643 1.274 1.00 0.19 C ATOM 1527 C THR B 31 -6.134 -5.945 1.283 1.00 0.20 C ATOM 1528 O THR B 31 -6.633 -7.000 0.946 1.00 0.22 O ATOM 1529 CB THR B 31 -6.717 -3.916 2.604 1.00 0.19 C ATOM 1530 OG1 THR B 31 -7.388 -4.628 3.628 1.00 0.20 O ATOM 1531 CG2 THR B 31 -7.269 -2.491 2.511 1.00 0.19 C ATOM 0 H THR B 31 -8.959 -4.795 1.941 1.00 0.18 H new ATOM 0 HA THR B 31 -6.600 -4.020 0.445 1.00 0.19 H new ATOM 0 HB THR B 31 -5.652 -3.865 2.829 1.00 0.19 H new ATOM 0 HG1 THR B 31 -7.413 -5.581 3.401 1.00 0.20 H new ATOM 0 HG21 THR B 31 -7.112 -1.977 3.459 1.00 0.19 H new ATOM 0 HG22 THR B 31 -6.753 -1.952 1.717 1.00 0.19 H new ATOM 0 HG23 THR B 31 -8.336 -2.528 2.291 1.00 0.19 H new ATOM 1539 N SER B 32 -4.888 -5.870 1.668 1.00 0.21 N ATOM 1540 CA SER B 32 -4.036 -7.090 1.706 1.00 0.23 C ATOM 1541 C SER B 32 -4.272 -7.837 3.023 1.00 0.23 C ATOM 1542 O SER B 32 -5.360 -7.840 3.563 1.00 0.25 O ATOM 1543 CB SER B 32 -2.561 -6.677 1.588 1.00 0.24 C ATOM 1544 OG SER B 32 -1.843 -7.699 0.910 1.00 1.21 O ATOM 0 H SER B 32 -4.423 -5.010 1.959 1.00 0.21 H new ATOM 0 HA SER B 32 -4.292 -7.749 0.876 1.00 0.23 H new ATOM 0 HB2 SER B 32 -2.477 -5.735 1.045 1.00 0.24 H new ATOM 0 HB3 SER B 32 -2.136 -6.513 2.578 1.00 0.24 H new ATOM 0 HG SER B 32 -0.915 -7.710 1.224 1.00 1.21 H new ATOM 1550 N SER B 33 -3.254 -8.470 3.537 1.00 0.23 N ATOM 1551 CA SER B 33 -3.394 -9.227 4.819 1.00 0.24 C ATOM 1552 C SER B 33 -2.132 -9.026 5.651 1.00 0.24 C ATOM 1553 O SER B 33 -2.174 -8.963 6.864 1.00 0.24 O ATOM 1554 CB SER B 33 -3.553 -10.711 4.509 1.00 0.25 C ATOM 1555 OG SER B 33 -2.273 -11.278 4.262 1.00 0.26 O ATOM 0 H SER B 33 -2.322 -8.497 3.122 1.00 0.23 H new ATOM 0 HA SER B 33 -4.265 -8.869 5.368 1.00 0.24 H new ATOM 0 HB2 SER B 33 -4.034 -11.220 5.345 1.00 0.25 H new ATOM 0 HB3 SER B 33 -4.197 -10.846 3.640 1.00 0.25 H new ATOM 0 HG SER B 33 -2.371 -12.233 4.064 1.00 0.26 H new ATOM 1561 N LEU B 34 -1.008 -8.930 4.993 1.00 0.25 N ATOM 1562 CA LEU B 34 0.290 -8.735 5.707 1.00 0.25 C ATOM 1563 C LEU B 34 0.113 -7.744 6.861 1.00 0.25 C ATOM 1564 O LEU B 34 0.408 -8.043 8.002 1.00 0.26 O ATOM 1565 CB LEU B 34 1.330 -8.177 4.733 1.00 0.26 C ATOM 1566 CG LEU B 34 1.266 -8.927 3.399 1.00 0.26 C ATOM 1567 CD1 LEU B 34 2.405 -8.445 2.493 1.00 0.27 C ATOM 1568 CD2 LEU B 34 1.402 -10.437 3.646 1.00 0.26 C ATOM 0 H LEU B 34 -0.932 -8.979 3.977 1.00 0.25 H new ATOM 0 HA LEU B 34 0.622 -9.696 6.100 1.00 0.25 H new ATOM 0 HB2 LEU B 34 1.151 -7.114 4.569 1.00 0.26 H new ATOM 0 HB3 LEU B 34 2.327 -8.270 5.163 1.00 0.26 H new ATOM 0 HG LEU B 34 0.309 -8.731 2.916 1.00 0.26 H new ATOM 0 HD11 LEU B 34 2.363 -8.976 1.542 1.00 0.27 H new ATOM 0 HD12 LEU B 34 2.301 -7.375 2.315 1.00 0.27 H new ATOM 0 HD13 LEU B 34 3.362 -8.641 2.976 1.00 0.27 H new ATOM 0 HD21 LEU B 34 1.356 -10.967 2.695 1.00 0.26 H new ATOM 0 HD22 LEU B 34 2.357 -10.642 4.130 1.00 0.26 H new ATOM 0 HD23 LEU B 34 0.590 -10.775 4.289 1.00 0.26 H new ATOM 1580 N CYS B 35 -0.363 -6.567 6.569 1.00 0.25 N ATOM 1581 CA CYS B 35 -0.555 -5.557 7.646 1.00 0.25 C ATOM 1582 C CYS B 35 -1.713 -5.997 8.552 1.00 0.24 C ATOM 1583 O CYS B 35 -2.780 -6.342 8.092 1.00 0.23 O ATOM 1584 CB CYS B 35 -0.854 -4.188 7.022 1.00 0.25 C ATOM 1585 SG CYS B 35 -1.940 -4.385 5.586 1.00 0.23 S ATOM 0 H CYS B 35 -0.627 -6.261 5.633 1.00 0.25 H new ATOM 0 HA CYS B 35 0.353 -5.477 8.243 1.00 0.25 H new ATOM 0 HB2 CYS B 35 -1.326 -3.539 7.759 1.00 0.25 H new ATOM 0 HB3 CYS B 35 0.076 -3.705 6.721 1.00 0.25 H new ATOM 1590 N SER B 36 -1.492 -6.016 9.837 1.00 0.25 N ATOM 1591 CA SER B 36 -2.559 -6.453 10.786 1.00 0.25 C ATOM 1592 C SER B 36 -3.745 -5.466 10.784 1.00 0.24 C ATOM 1593 O SER B 36 -4.405 -5.299 11.790 1.00 0.25 O ATOM 1594 CB SER B 36 -1.951 -6.560 12.203 1.00 0.27 C ATOM 1595 OG SER B 36 -0.543 -6.381 12.117 1.00 1.35 O ATOM 0 H SER B 36 -0.612 -5.746 10.276 1.00 0.25 H new ATOM 0 HA SER B 36 -2.941 -7.424 10.471 1.00 0.25 H new ATOM 0 HB2 SER B 36 -2.387 -5.806 12.858 1.00 0.27 H new ATOM 0 HB3 SER B 36 -2.181 -7.532 12.639 1.00 0.27 H new ATOM 0 HG SER B 36 -0.150 -6.446 13.012 1.00 1.35 H new ATOM 1601 N GLN B 37 -4.037 -4.807 9.688 1.00 0.23 N ATOM 1602 CA GLN B 37 -5.189 -3.851 9.700 1.00 0.22 C ATOM 1603 C GLN B 37 -5.785 -3.693 8.294 1.00 0.21 C ATOM 1604 O GLN B 37 -5.714 -2.625 7.724 1.00 0.20 O ATOM 1605 CB GLN B 37 -4.708 -2.485 10.203 1.00 0.24 C ATOM 1606 CG GLN B 37 -3.398 -2.103 9.508 1.00 0.25 C ATOM 1607 CD GLN B 37 -2.927 -0.740 10.021 1.00 0.29 C ATOM 1608 OE1 GLN B 37 -2.705 -0.568 11.203 1.00 1.09 O ATOM 1609 NE2 GLN B 37 -2.768 0.243 9.177 1.00 1.07 N ATOM 0 H GLN B 37 -3.538 -4.887 8.802 1.00 0.23 H new ATOM 0 HA GLN B 37 -5.961 -4.245 10.361 1.00 0.22 H new ATOM 0 HB2 GLN B 37 -5.467 -1.728 10.007 1.00 0.24 H new ATOM 0 HB3 GLN B 37 -4.561 -2.517 11.283 1.00 0.24 H new ATOM 0 HG2 GLN B 37 -2.637 -2.859 9.702 1.00 0.25 H new ATOM 0 HG3 GLN B 37 -3.544 -2.067 8.428 1.00 0.25 H new ATOM 0 HE21 GLN B 37 -2.954 0.098 8.185 1.00 1.07 H new ATOM 0 HE22 GLN B 37 -2.457 1.156 9.510 1.00 1.07 H new ATOM 1618 N PRO B 38 -6.380 -4.748 7.777 1.00 0.20 N ATOM 1619 CA PRO B 38 -7.013 -4.702 6.444 1.00 0.19 C ATOM 1620 C PRO B 38 -8.277 -3.834 6.519 1.00 0.18 C ATOM 1621 O PRO B 38 -8.630 -3.313 7.558 1.00 0.19 O ATOM 1622 CB PRO B 38 -7.366 -6.174 6.127 1.00 0.19 C ATOM 1623 CG PRO B 38 -7.126 -6.998 7.426 1.00 0.20 C ATOM 1624 CD PRO B 38 -6.463 -6.057 8.458 1.00 0.22 C ATOM 0 HA PRO B 38 -6.371 -4.272 5.675 1.00 0.19 H new ATOM 0 HB2 PRO B 38 -8.404 -6.259 5.804 1.00 0.19 H new ATOM 0 HB3 PRO B 38 -6.747 -6.551 5.313 1.00 0.19 H new ATOM 0 HG2 PRO B 38 -8.068 -7.388 7.812 1.00 0.20 H new ATOM 0 HG3 PRO B 38 -6.485 -7.856 7.223 1.00 0.20 H new ATOM 0 HD2 PRO B 38 -7.055 -5.991 9.371 1.00 0.22 H new ATOM 0 HD3 PRO B 38 -5.475 -6.417 8.744 1.00 0.22 H new ATOM 1632 N ALA B 39 -8.958 -3.688 5.422 1.00 0.17 N ATOM 1633 CA ALA B 39 -10.196 -2.874 5.400 1.00 0.16 C ATOM 1634 C ALA B 39 -10.893 -3.111 4.065 1.00 0.15 C ATOM 1635 O ALA B 39 -10.314 -3.670 3.154 1.00 0.17 O ATOM 1636 CB ALA B 39 -9.837 -1.393 5.534 1.00 0.15 C ATOM 0 H ALA B 39 -8.704 -4.105 4.527 1.00 0.17 H new ATOM 0 HA ALA B 39 -10.850 -3.155 6.225 1.00 0.16 H new ATOM 0 HB1 ALA B 39 -10.748 -0.795 5.518 1.00 0.15 H new ATOM 0 HB2 ALA B 39 -9.312 -1.230 6.475 1.00 0.15 H new ATOM 0 HB3 ALA B 39 -9.194 -1.098 4.705 1.00 0.15 H new ATOM 1642 N VAL B 40 -12.113 -2.673 3.919 1.00 0.13 N ATOM 1643 CA VAL B 40 -12.813 -2.861 2.614 1.00 0.12 C ATOM 1644 C VAL B 40 -12.619 -1.581 1.812 1.00 0.11 C ATOM 1645 O VAL B 40 -12.609 -0.496 2.358 1.00 0.14 O ATOM 1646 CB VAL B 40 -14.308 -3.119 2.843 1.00 0.12 C ATOM 1647 CG1 VAL B 40 -15.080 -2.909 1.535 1.00 0.12 C ATOM 1648 CG2 VAL B 40 -14.502 -4.562 3.307 1.00 0.16 C ATOM 0 H VAL B 40 -12.654 -2.196 4.640 1.00 0.13 H new ATOM 0 HA VAL B 40 -12.406 -3.720 2.080 1.00 0.12 H new ATOM 0 HB VAL B 40 -14.680 -2.427 3.599 1.00 0.12 H new ATOM 0 HG11 VAL B 40 -16.141 -3.094 1.705 1.00 0.12 H new ATOM 0 HG12 VAL B 40 -14.941 -1.884 1.191 1.00 0.12 H new ATOM 0 HG13 VAL B 40 -14.708 -3.600 0.778 1.00 0.12 H new ATOM 0 HG21 VAL B 40 -15.563 -4.752 3.472 1.00 0.16 H new ATOM 0 HG22 VAL B 40 -14.126 -5.243 2.544 1.00 0.16 H new ATOM 0 HG23 VAL B 40 -13.956 -4.722 4.237 1.00 0.16 H new ATOM 1658 N VAL B 41 -12.437 -1.705 0.526 1.00 0.13 N ATOM 1659 CA VAL B 41 -12.209 -0.501 -0.332 1.00 0.14 C ATOM 1660 C VAL B 41 -13.306 -0.406 -1.395 1.00 0.14 C ATOM 1661 O VAL B 41 -13.480 -1.293 -2.199 1.00 0.17 O ATOM 1662 CB VAL B 41 -10.834 -0.631 -0.993 1.00 0.19 C ATOM 1663 CG1 VAL B 41 -10.348 0.739 -1.449 1.00 0.22 C ATOM 1664 CG2 VAL B 41 -9.838 -1.206 0.017 1.00 0.20 C ATOM 0 H VAL B 41 -12.436 -2.594 0.026 1.00 0.13 H new ATOM 0 HA VAL B 41 -12.241 0.405 0.273 1.00 0.14 H new ATOM 0 HB VAL B 41 -10.912 -1.293 -1.855 1.00 0.19 H new ATOM 0 HG11 VAL B 41 -9.369 0.640 -1.918 1.00 0.22 H new ATOM 0 HG12 VAL B 41 -11.055 1.155 -2.167 1.00 0.22 H new ATOM 0 HG13 VAL B 41 -10.272 1.403 -0.588 1.00 0.22 H new ATOM 0 HG21 VAL B 41 -8.858 -1.300 -0.451 1.00 0.20 H new ATOM 0 HG22 VAL B 41 -9.767 -0.540 0.877 1.00 0.20 H new ATOM 0 HG23 VAL B 41 -10.179 -2.188 0.345 1.00 0.20 H new ATOM 1674 N PHE B 42 -14.060 0.661 -1.398 1.00 0.13 N ATOM 1675 CA PHE B 42 -15.160 0.802 -2.401 1.00 0.15 C ATOM 1676 C PHE B 42 -14.665 1.543 -3.648 1.00 0.19 C ATOM 1677 O PHE B 42 -13.964 2.532 -3.565 1.00 0.21 O ATOM 1678 CB PHE B 42 -16.313 1.597 -1.778 1.00 0.14 C ATOM 1679 CG PHE B 42 -17.072 0.732 -0.791 1.00 0.12 C ATOM 1680 CD1 PHE B 42 -17.752 -0.423 -1.234 1.00 0.12 C ATOM 1681 CD2 PHE B 42 -17.109 1.087 0.573 1.00 0.12 C ATOM 1682 CE1 PHE B 42 -18.462 -1.218 -0.315 1.00 0.13 C ATOM 1683 CE2 PHE B 42 -17.822 0.291 1.489 1.00 0.14 C ATOM 1684 CZ PHE B 42 -18.497 -0.862 1.046 1.00 0.14 C ATOM 0 H PHE B 42 -13.963 1.442 -0.750 1.00 0.13 H new ATOM 0 HA PHE B 42 -15.496 -0.194 -2.690 1.00 0.15 H new ATOM 0 HB2 PHE B 42 -15.924 2.481 -1.273 1.00 0.14 H new ATOM 0 HB3 PHE B 42 -16.987 1.947 -2.560 1.00 0.14 H new ATOM 0 HD1 PHE B 42 -17.727 -0.697 -2.278 1.00 0.12 H new ATOM 0 HD2 PHE B 42 -16.590 1.970 0.915 1.00 0.12 H new ATOM 0 HE1 PHE B 42 -18.981 -2.102 -0.655 1.00 0.13 H new ATOM 0 HE2 PHE B 42 -17.851 0.565 2.533 1.00 0.14 H new ATOM 0 HZ PHE B 42 -19.042 -1.473 1.750 1.00 0.14 H new ATOM 1694 N GLN B 43 -15.063 1.078 -4.805 1.00 0.22 N ATOM 1695 CA GLN B 43 -14.671 1.746 -6.085 1.00 0.26 C ATOM 1696 C GLN B 43 -15.875 2.571 -6.558 1.00 0.28 C ATOM 1697 O GLN B 43 -16.958 2.038 -6.726 1.00 0.28 O ATOM 1698 CB GLN B 43 -14.325 0.668 -7.117 1.00 0.30 C ATOM 1699 CG GLN B 43 -13.078 -0.094 -6.661 1.00 0.30 C ATOM 1700 CD GLN B 43 -12.939 -1.381 -7.475 1.00 0.35 C ATOM 1701 OE1 GLN B 43 -12.782 -2.450 -6.921 1.00 1.15 O ATOM 1702 NE2 GLN B 43 -12.990 -1.324 -8.778 1.00 1.11 N ATOM 0 H GLN B 43 -15.651 0.252 -4.919 1.00 0.22 H new ATOM 0 HA GLN B 43 -13.804 2.393 -5.952 1.00 0.26 H new ATOM 0 HB2 GLN B 43 -15.162 -0.020 -7.234 1.00 0.30 H new ATOM 0 HB3 GLN B 43 -14.149 1.125 -8.091 1.00 0.30 H new ATOM 0 HG2 GLN B 43 -12.192 0.528 -6.790 1.00 0.30 H new ATOM 0 HG3 GLN B 43 -13.151 -0.329 -5.599 1.00 0.30 H new ATOM 0 HE21 GLN B 43 -13.122 -0.427 -9.244 1.00 1.11 H new ATOM 0 HE22 GLN B 43 -12.898 -2.177 -9.330 1.00 1.11 H new ATOM 1711 N THR B 44 -15.725 3.871 -6.728 1.00 0.29 N ATOM 1712 CA THR B 44 -16.910 4.709 -7.133 1.00 0.31 C ATOM 1713 C THR B 44 -16.939 4.985 -8.638 1.00 0.37 C ATOM 1714 O THR B 44 -16.356 4.276 -9.434 1.00 0.40 O ATOM 1715 CB THR B 44 -16.857 6.048 -6.401 1.00 0.31 C ATOM 1716 OG1 THR B 44 -15.973 6.918 -7.087 1.00 0.35 O ATOM 1717 CG2 THR B 44 -16.361 5.834 -4.968 1.00 0.26 C ATOM 0 H THR B 44 -14.850 4.380 -6.606 1.00 0.29 H new ATOM 0 HA THR B 44 -17.807 4.149 -6.870 1.00 0.31 H new ATOM 0 HB THR B 44 -17.854 6.488 -6.371 1.00 0.31 H new ATOM 0 HG1 THR B 44 -16.297 7.840 -7.011 1.00 0.35 H new ATOM 0 HG21 THR B 44 -16.324 6.792 -4.449 1.00 0.26 H new ATOM 0 HG22 THR B 44 -17.041 5.163 -4.444 1.00 0.26 H new ATOM 0 HG23 THR B 44 -15.364 5.395 -4.990 1.00 0.26 H new ATOM 1725 N LYS B 45 -17.646 6.028 -9.019 1.00 0.42 N ATOM 1726 CA LYS B 45 -17.772 6.400 -10.462 1.00 0.47 C ATOM 1727 C LYS B 45 -17.008 7.700 -10.738 1.00 0.50 C ATOM 1728 O LYS B 45 -16.619 7.967 -11.857 1.00 0.55 O ATOM 1729 CB LYS B 45 -19.254 6.628 -10.793 1.00 0.49 C ATOM 1730 CG LYS B 45 -20.106 5.505 -10.203 1.00 0.45 C ATOM 1731 CD LYS B 45 -21.580 5.760 -10.535 1.00 0.49 C ATOM 1732 CE LYS B 45 -22.395 4.491 -10.282 1.00 0.53 C ATOM 1733 NZ LYS B 45 -23.850 4.813 -10.344 1.00 1.41 N ATOM 0 H LYS B 45 -18.147 6.644 -8.378 1.00 0.42 H new ATOM 0 HA LYS B 45 -17.361 5.597 -11.074 1.00 0.47 H new ATOM 0 HB2 LYS B 45 -19.579 7.589 -10.394 1.00 0.49 H new ATOM 0 HB3 LYS B 45 -19.391 6.668 -11.874 1.00 0.49 H new ATOM 0 HG2 LYS B 45 -19.791 4.543 -10.608 1.00 0.45 H new ATOM 0 HG3 LYS B 45 -19.968 5.457 -9.123 1.00 0.45 H new ATOM 0 HD2 LYS B 45 -21.964 6.577 -9.924 1.00 0.49 H new ATOM 0 HD3 LYS B 45 -21.680 6.066 -11.576 1.00 0.49 H new ATOM 0 HE2 LYS B 45 -22.148 3.733 -11.025 1.00 0.53 H new ATOM 0 HE3 LYS B 45 -22.145 4.074 -9.306 1.00 0.53 H new ATOM 0 HZ1 LYS B 45 -24.404 3.941 -10.223 1.00 1.41 H new ATOM 0 HZ2 LYS B 45 -24.090 5.484 -9.586 1.00 1.41 H new ATOM 0 HZ3 LYS B 45 -24.072 5.239 -11.266 1.00 1.41 H new ATOM 1747 N ARG B 46 -16.806 8.520 -9.729 1.00 0.49 N ATOM 1748 CA ARG B 46 -16.080 9.821 -9.930 1.00 0.53 C ATOM 1749 C ARG B 46 -14.957 9.923 -8.899 1.00 0.48 C ATOM 1750 O ARG B 46 -14.824 10.898 -8.190 1.00 0.49 O ATOM 1751 CB ARG B 46 -17.074 10.991 -9.758 1.00 0.57 C ATOM 1752 CG ARG B 46 -16.545 12.288 -10.423 1.00 0.68 C ATOM 1753 CD ARG B 46 -15.621 13.072 -9.469 1.00 0.99 C ATOM 1754 NE ARG B 46 -15.746 14.538 -9.749 1.00 1.58 N ATOM 1755 CZ ARG B 46 -15.625 15.010 -10.963 1.00 2.19 C ATOM 1756 NH1 ARG B 46 -15.200 14.245 -11.932 1.00 2.64 N ATOM 1757 NH2 ARG B 46 -15.874 16.273 -11.195 1.00 2.86 N ATOM 0 H ARG B 46 -17.113 8.344 -8.772 1.00 0.49 H new ATOM 0 HA ARG B 46 -15.654 9.866 -10.932 1.00 0.53 H new ATOM 0 HB2 ARG B 46 -18.035 10.721 -10.197 1.00 0.57 H new ATOM 0 HB3 ARG B 46 -17.247 11.170 -8.697 1.00 0.57 H new ATOM 0 HG2 ARG B 46 -16.001 12.036 -11.334 1.00 0.68 H new ATOM 0 HG3 ARG B 46 -17.385 12.917 -10.717 1.00 0.68 H new ATOM 0 HD2 ARG B 46 -15.889 12.864 -8.433 1.00 0.99 H new ATOM 0 HD3 ARG B 46 -14.587 12.752 -9.601 1.00 0.99 H new ATOM 0 HE ARG B 46 -15.929 15.181 -8.978 1.00 1.58 H new ATOM 0 HH11 ARG B 46 -14.960 13.272 -11.745 1.00 2.64 H new ATOM 0 HH12 ARG B 46 -15.109 14.621 -12.876 1.00 2.64 H new ATOM 0 HH21 ARG B 46 -16.161 16.885 -10.431 1.00 2.86 H new ATOM 0 HH22 ARG B 46 -15.781 16.646 -12.140 1.00 2.86 H new ATOM 1771 N SER B 47 -14.139 8.918 -8.823 1.00 0.44 N ATOM 1772 CA SER B 47 -13.010 8.939 -7.866 1.00 0.41 C ATOM 1773 C SER B 47 -12.070 7.792 -8.222 1.00 0.41 C ATOM 1774 O SER B 47 -11.566 7.710 -9.324 1.00 0.45 O ATOM 1775 CB SER B 47 -13.525 8.787 -6.427 1.00 0.38 C ATOM 1776 OG SER B 47 -13.922 7.443 -6.198 1.00 0.99 O ATOM 0 H SER B 47 -14.206 8.073 -9.391 1.00 0.44 H new ATOM 0 HA SER B 47 -12.481 9.890 -7.929 1.00 0.41 H new ATOM 0 HB2 SER B 47 -12.746 9.071 -5.720 1.00 0.38 H new ATOM 0 HB3 SER B 47 -14.367 9.458 -6.260 1.00 0.38 H new ATOM 0 HG SER B 47 -14.802 7.289 -6.601 1.00 0.99 H new ATOM 1782 N LYS B 48 -11.846 6.906 -7.311 1.00 0.37 N ATOM 1783 CA LYS B 48 -10.954 5.754 -7.584 1.00 0.38 C ATOM 1784 C LYS B 48 -11.303 4.654 -6.590 1.00 0.33 C ATOM 1785 O LYS B 48 -12.200 3.856 -6.793 1.00 0.31 O ATOM 1786 CB LYS B 48 -9.481 6.168 -7.376 1.00 0.44 C ATOM 1787 CG LYS B 48 -8.897 6.801 -8.645 1.00 1.12 C ATOM 1788 CD LYS B 48 -7.371 6.897 -8.493 1.00 1.24 C ATOM 1789 CE LYS B 48 -6.747 7.695 -9.659 1.00 2.01 C ATOM 1790 NZ LYS B 48 -6.027 6.755 -10.566 1.00 2.55 N ATOM 0 H LYS B 48 -12.247 6.927 -6.373 1.00 0.37 H new ATOM 0 HA LYS B 48 -11.084 5.413 -8.611 1.00 0.38 H new ATOM 0 HB2 LYS B 48 -9.413 6.875 -6.549 1.00 0.44 H new ATOM 0 HB3 LYS B 48 -8.891 5.295 -7.098 1.00 0.44 H new ATOM 0 HG2 LYS B 48 -9.152 6.201 -9.518 1.00 1.12 H new ATOM 0 HG3 LYS B 48 -9.324 7.791 -8.803 1.00 1.12 H new ATOM 0 HD2 LYS B 48 -7.126 7.378 -7.546 1.00 1.24 H new ATOM 0 HD3 LYS B 48 -6.941 5.896 -8.462 1.00 1.24 H new ATOM 0 HE2 LYS B 48 -7.524 8.226 -10.209 1.00 2.01 H new ATOM 0 HE3 LYS B 48 -6.058 8.447 -9.274 1.00 2.01 H new ATOM 0 HZ1 LYS B 48 -5.605 7.287 -11.353 1.00 2.55 H new ATOM 0 HZ2 LYS B 48 -5.277 6.267 -10.036 1.00 2.55 H new ATOM 0 HZ3 LYS B 48 -6.697 6.054 -10.942 1.00 2.55 H new ATOM 1804 N GLN B 49 -10.581 4.635 -5.506 1.00 0.33 N ATOM 1805 CA GLN B 49 -10.796 3.626 -4.441 1.00 0.30 C ATOM 1806 C GLN B 49 -11.012 4.363 -3.111 1.00 0.25 C ATOM 1807 O GLN B 49 -10.432 5.406 -2.872 1.00 0.26 O ATOM 1808 CB GLN B 49 -9.537 2.761 -4.369 1.00 0.34 C ATOM 1809 CG GLN B 49 -9.573 1.699 -5.472 1.00 0.85 C ATOM 1810 CD GLN B 49 -8.296 0.862 -5.415 1.00 1.00 C ATOM 1811 OE1 GLN B 49 -7.463 1.060 -4.552 1.00 1.60 O ATOM 1812 NE2 GLN B 49 -8.102 -0.072 -6.306 1.00 1.68 N ATOM 0 H GLN B 49 -9.830 5.297 -5.312 1.00 0.33 H new ATOM 0 HA GLN B 49 -11.665 3.001 -4.646 1.00 0.30 H new ATOM 0 HB2 GLN B 49 -8.650 3.384 -4.480 1.00 0.34 H new ATOM 0 HB3 GLN B 49 -9.469 2.282 -3.392 1.00 0.34 H new ATOM 0 HG2 GLN B 49 -10.446 1.059 -5.347 1.00 0.85 H new ATOM 0 HG3 GLN B 49 -9.665 2.176 -6.448 1.00 0.85 H new ATOM 0 HE21 GLN B 49 -8.800 -0.239 -7.030 1.00 1.68 H new ATOM 0 HE22 GLN B 49 -7.252 -0.635 -6.278 1.00 1.68 H new ATOM 1821 N VAL B 50 -11.849 3.838 -2.249 1.00 0.21 N ATOM 1822 CA VAL B 50 -12.112 4.517 -0.938 1.00 0.18 C ATOM 1823 C VAL B 50 -12.109 3.487 0.184 1.00 0.14 C ATOM 1824 O VAL B 50 -12.875 2.550 0.172 1.00 0.13 O ATOM 1825 CB VAL B 50 -13.483 5.199 -0.982 1.00 0.20 C ATOM 1826 CG1 VAL B 50 -13.633 6.115 0.235 1.00 0.23 C ATOM 1827 CG2 VAL B 50 -13.609 6.018 -2.276 1.00 0.30 C ATOM 0 H VAL B 50 -12.362 2.969 -2.395 1.00 0.21 H new ATOM 0 HA VAL B 50 -11.334 5.259 -0.758 1.00 0.18 H new ATOM 0 HB VAL B 50 -14.269 4.444 -0.962 1.00 0.20 H new ATOM 0 HG11 VAL B 50 -14.608 6.602 0.206 1.00 0.23 H new ATOM 0 HG12 VAL B 50 -13.549 5.525 1.147 1.00 0.23 H new ATOM 0 HG13 VAL B 50 -12.849 6.872 0.219 1.00 0.23 H new ATOM 0 HG21 VAL B 50 -14.585 6.503 -2.306 1.00 0.30 H new ATOM 0 HG22 VAL B 50 -12.826 6.776 -2.305 1.00 0.30 H new ATOM 0 HG23 VAL B 50 -13.505 5.357 -3.136 1.00 0.30 H new ATOM 1837 N CYS B 51 -11.263 3.662 1.160 1.00 0.14 N ATOM 1838 CA CYS B 51 -11.214 2.691 2.287 1.00 0.12 C ATOM 1839 C CYS B 51 -12.449 2.875 3.166 1.00 0.11 C ATOM 1840 O CYS B 51 -13.010 3.950 3.249 1.00 0.13 O ATOM 1841 CB CYS B 51 -9.953 2.944 3.115 1.00 0.14 C ATOM 1842 SG CYS B 51 -8.488 2.645 2.096 1.00 0.18 S ATOM 0 H CYS B 51 -10.603 4.437 1.226 1.00 0.14 H new ATOM 0 HA CYS B 51 -11.195 1.673 1.897 1.00 0.12 H new ATOM 0 HB2 CYS B 51 -9.948 3.969 3.485 1.00 0.14 H new ATOM 0 HB3 CYS B 51 -9.941 2.291 3.987 1.00 0.14 H new ATOM 1847 N ALA B 52 -12.888 1.829 3.817 1.00 0.10 N ATOM 1848 CA ALA B 52 -14.101 1.935 4.684 1.00 0.11 C ATOM 1849 C ALA B 52 -13.935 1.041 5.916 1.00 0.13 C ATOM 1850 O ALA B 52 -13.460 -0.075 5.828 1.00 0.13 O ATOM 1851 CB ALA B 52 -15.328 1.479 3.890 1.00 0.10 C ATOM 0 H ALA B 52 -12.459 0.904 3.786 1.00 0.10 H new ATOM 0 HA ALA B 52 -14.230 2.969 5.003 1.00 0.11 H new ATOM 0 HB1 ALA B 52 -16.216 1.554 4.518 1.00 0.10 H new ATOM 0 HB2 ALA B 52 -15.449 2.113 3.012 1.00 0.10 H new ATOM 0 HB3 ALA B 52 -15.193 0.444 3.574 1.00 0.10 H new ATOM 1857 N ASP B 53 -14.328 1.529 7.063 1.00 0.17 N ATOM 1858 CA ASP B 53 -14.202 0.722 8.314 1.00 0.20 C ATOM 1859 C ASP B 53 -15.191 -0.474 8.251 1.00 0.20 C ATOM 1860 O ASP B 53 -16.383 -0.246 8.225 1.00 0.22 O ATOM 1861 CB ASP B 53 -14.569 1.627 9.519 1.00 0.25 C ATOM 1862 CG ASP B 53 -13.304 2.122 10.231 1.00 1.39 C ATOM 1863 OD1 ASP B 53 -12.685 1.325 10.919 1.00 2.15 O ATOM 1864 OD2 ASP B 53 -12.980 3.287 10.080 1.00 2.20 O ATOM 0 H ASP B 53 -14.733 2.457 7.188 1.00 0.17 H new ATOM 0 HA ASP B 53 -13.184 0.346 8.421 1.00 0.20 H new ATOM 0 HB2 ASP B 53 -15.155 2.479 9.175 1.00 0.25 H new ATOM 0 HB3 ASP B 53 -15.193 1.072 10.220 1.00 0.25 H new ATOM 1869 N PRO B 54 -14.711 -1.712 8.242 1.00 0.21 N ATOM 1870 CA PRO B 54 -15.631 -2.866 8.200 1.00 0.22 C ATOM 1871 C PRO B 54 -16.498 -2.875 9.465 1.00 0.27 C ATOM 1872 O PRO B 54 -17.399 -3.676 9.614 1.00 0.29 O ATOM 1873 CB PRO B 54 -14.717 -4.111 8.147 1.00 0.24 C ATOM 1874 CG PRO B 54 -13.243 -3.616 8.218 1.00 0.23 C ATOM 1875 CD PRO B 54 -13.272 -2.072 8.274 1.00 0.21 C ATOM 0 HA PRO B 54 -16.308 -2.835 7.346 1.00 0.22 H new ATOM 0 HB2 PRO B 54 -14.936 -4.782 8.977 1.00 0.24 H new ATOM 0 HB3 PRO B 54 -14.888 -4.673 7.229 1.00 0.24 H new ATOM 0 HG2 PRO B 54 -12.745 -4.022 9.098 1.00 0.23 H new ATOM 0 HG3 PRO B 54 -12.682 -3.957 7.348 1.00 0.23 H new ATOM 0 HD2 PRO B 54 -12.793 -1.701 9.180 1.00 0.21 H new ATOM 0 HD3 PRO B 54 -12.738 -1.637 7.430 1.00 0.21 H new ATOM 1883 N SER B 55 -16.214 -1.994 10.382 1.00 0.30 N ATOM 1884 CA SER B 55 -16.998 -1.950 11.648 1.00 0.36 C ATOM 1885 C SER B 55 -18.351 -1.279 11.402 1.00 0.36 C ATOM 1886 O SER B 55 -19.302 -1.504 12.124 1.00 0.39 O ATOM 1887 CB SER B 55 -16.220 -1.155 12.696 1.00 0.40 C ATOM 1888 OG SER B 55 -17.005 -1.036 13.875 1.00 1.37 O ATOM 0 H SER B 55 -15.470 -1.300 10.310 1.00 0.30 H new ATOM 0 HA SER B 55 -17.163 -2.967 12.004 1.00 0.36 H new ATOM 0 HB2 SER B 55 -15.278 -1.654 12.922 1.00 0.40 H new ATOM 0 HB3 SER B 55 -15.972 -0.167 12.309 1.00 0.40 H new ATOM 0 HG SER B 55 -16.508 -0.528 14.549 1.00 1.37 H new ATOM 1894 N GLU B 56 -18.457 -0.460 10.390 1.00 0.33 N ATOM 1895 CA GLU B 56 -19.762 0.209 10.115 1.00 0.33 C ATOM 1896 C GLU B 56 -20.676 -0.767 9.371 1.00 0.32 C ATOM 1897 O GLU B 56 -20.380 -1.223 8.283 1.00 0.28 O ATOM 1898 CB GLU B 56 -19.535 1.469 9.272 1.00 0.31 C ATOM 1899 CG GLU B 56 -18.859 2.565 10.118 1.00 0.35 C ATOM 1900 CD GLU B 56 -19.135 3.940 9.505 1.00 1.30 C ATOM 1901 OE1 GLU B 56 -18.897 4.098 8.319 1.00 2.09 O ATOM 1902 OE2 GLU B 56 -19.579 4.813 10.233 1.00 2.05 O ATOM 0 H GLU B 56 -17.702 -0.226 9.745 1.00 0.33 H new ATOM 0 HA GLU B 56 -20.231 0.500 11.055 1.00 0.33 H new ATOM 0 HB2 GLU B 56 -18.913 1.230 8.410 1.00 0.31 H new ATOM 0 HB3 GLU B 56 -20.487 1.833 8.887 1.00 0.31 H new ATOM 0 HG2 GLU B 56 -19.235 2.531 11.141 1.00 0.35 H new ATOM 0 HG3 GLU B 56 -17.785 2.388 10.167 1.00 0.35 H new ATOM 1909 N SER B 57 -21.778 -1.105 9.978 1.00 0.37 N ATOM 1910 CA SER B 57 -22.734 -2.073 9.366 1.00 0.38 C ATOM 1911 C SER B 57 -23.037 -1.730 7.904 1.00 0.34 C ATOM 1912 O SER B 57 -23.161 -2.611 7.076 1.00 0.32 O ATOM 1913 CB SER B 57 -24.038 -2.060 10.164 1.00 0.44 C ATOM 1914 OG SER B 57 -24.467 -0.715 10.337 1.00 1.42 O ATOM 0 H SER B 57 -22.063 -0.746 10.889 1.00 0.37 H new ATOM 0 HA SER B 57 -22.274 -3.061 9.391 1.00 0.38 H new ATOM 0 HB2 SER B 57 -24.803 -2.634 9.642 1.00 0.44 H new ATOM 0 HB3 SER B 57 -23.890 -2.535 11.134 1.00 0.44 H new ATOM 0 HG SER B 57 -25.304 -0.702 10.847 1.00 1.42 H new ATOM 1920 N TRP B 58 -23.187 -0.478 7.567 1.00 0.34 N ATOM 1921 CA TRP B 58 -23.513 -0.151 6.151 1.00 0.31 C ATOM 1922 C TRP B 58 -22.418 -0.688 5.235 1.00 0.26 C ATOM 1923 O TRP B 58 -22.677 -1.112 4.128 1.00 0.25 O ATOM 1924 CB TRP B 58 -23.711 1.362 5.969 1.00 0.33 C ATOM 1925 CG TRP B 58 -22.409 2.103 5.915 1.00 0.30 C ATOM 1926 CD1 TRP B 58 -21.937 2.900 6.902 1.00 0.32 C ATOM 1927 CD2 TRP B 58 -21.428 2.169 4.835 1.00 0.26 C ATOM 1928 NE1 TRP B 58 -20.738 3.458 6.498 1.00 0.29 N ATOM 1929 CE2 TRP B 58 -20.374 3.034 5.239 1.00 0.26 C ATOM 1930 CE3 TRP B 58 -21.344 1.573 3.553 1.00 0.26 C ATOM 1931 CZ2 TRP B 58 -19.279 3.299 4.405 1.00 0.25 C ATOM 1932 CZ3 TRP B 58 -20.241 1.837 2.711 1.00 0.26 C ATOM 1933 CH2 TRP B 58 -19.211 2.696 3.139 1.00 0.25 C ATOM 0 H TRP B 58 -23.100 0.319 8.198 1.00 0.34 H new ATOM 0 HA TRP B 58 -24.453 -0.632 5.881 1.00 0.31 H new ATOM 0 HB2 TRP B 58 -24.269 1.545 5.051 1.00 0.33 H new ATOM 0 HB3 TRP B 58 -24.313 1.749 6.791 1.00 0.33 H new ATOM 0 HD1 TRP B 58 -22.420 3.072 7.853 1.00 0.32 H new ATOM 0 HE1 TRP B 58 -20.189 4.105 7.064 1.00 0.29 H new ATOM 0 HE3 TRP B 58 -22.129 0.912 3.217 1.00 0.26 H new ATOM 0 HZ2 TRP B 58 -18.493 3.963 4.734 1.00 0.25 H new ATOM 0 HZ3 TRP B 58 -20.188 1.378 1.735 1.00 0.26 H new ATOM 0 HH2 TRP B 58 -18.368 2.891 2.493 1.00 0.25 H new ATOM 1944 N VAL B 59 -21.202 -0.710 5.693 1.00 0.23 N ATOM 1945 CA VAL B 59 -20.107 -1.247 4.845 1.00 0.19 C ATOM 1946 C VAL B 59 -20.364 -2.727 4.599 1.00 0.20 C ATOM 1947 O VAL B 59 -20.261 -3.216 3.492 1.00 0.20 O ATOM 1948 CB VAL B 59 -18.780 -1.070 5.581 1.00 0.19 C ATOM 1949 CG1 VAL B 59 -17.634 -1.663 4.753 1.00 0.18 C ATOM 1950 CG2 VAL B 59 -18.549 0.421 5.807 1.00 0.19 C ATOM 0 H VAL B 59 -20.919 -0.380 6.616 1.00 0.23 H new ATOM 0 HA VAL B 59 -20.067 -0.718 3.893 1.00 0.19 H new ATOM 0 HB VAL B 59 -18.813 -1.590 6.538 1.00 0.19 H new ATOM 0 HG11 VAL B 59 -16.693 -1.531 5.287 1.00 0.18 H new ATOM 0 HG12 VAL B 59 -17.814 -2.726 4.592 1.00 0.18 H new ATOM 0 HG13 VAL B 59 -17.579 -1.154 3.791 1.00 0.18 H new ATOM 0 HG21 VAL B 59 -17.605 0.567 6.332 1.00 0.19 H new ATOM 0 HG22 VAL B 59 -18.513 0.933 4.846 1.00 0.19 H new ATOM 0 HG23 VAL B 59 -19.364 0.829 6.405 1.00 0.19 H new ATOM 1960 N GLN B 60 -20.709 -3.439 5.626 1.00 0.24 N ATOM 1961 CA GLN B 60 -20.986 -4.891 5.466 1.00 0.27 C ATOM 1962 C GLN B 60 -22.208 -5.070 4.555 1.00 0.27 C ATOM 1963 O GLN B 60 -22.247 -5.942 3.711 1.00 0.29 O ATOM 1964 CB GLN B 60 -21.254 -5.492 6.864 1.00 0.32 C ATOM 1965 CG GLN B 60 -20.715 -6.923 6.957 1.00 1.22 C ATOM 1966 CD GLN B 60 -20.751 -7.379 8.417 1.00 1.62 C ATOM 1967 OE1 GLN B 60 -20.461 -6.609 9.313 1.00 2.20 O ATOM 1968 NE2 GLN B 60 -21.097 -8.604 8.698 1.00 2.24 N ATOM 0 H GLN B 60 -20.812 -3.080 6.575 1.00 0.24 H new ATOM 0 HA GLN B 60 -20.137 -5.402 5.012 1.00 0.27 H new ATOM 0 HB2 GLN B 60 -20.784 -4.872 7.627 1.00 0.32 H new ATOM 0 HB3 GLN B 60 -22.325 -5.489 7.066 1.00 0.32 H new ATOM 0 HG2 GLN B 60 -21.315 -7.591 6.340 1.00 1.22 H new ATOM 0 HG3 GLN B 60 -19.695 -6.966 6.575 1.00 1.22 H new ATOM 0 HE21 GLN B 60 -21.340 -9.250 7.947 1.00 2.24 H new ATOM 0 HE22 GLN B 60 -21.124 -8.916 9.669 1.00 2.24 H new ATOM 1977 N GLU B 61 -23.205 -4.249 4.733 1.00 0.28 N ATOM 1978 CA GLU B 61 -24.436 -4.357 3.894 1.00 0.30 C ATOM 1979 C GLU B 61 -24.102 -4.080 2.425 1.00 0.28 C ATOM 1980 O GLU B 61 -24.505 -4.810 1.541 1.00 0.29 O ATOM 1981 CB GLU B 61 -25.473 -3.339 4.377 1.00 0.31 C ATOM 1982 CG GLU B 61 -26.800 -3.572 3.650 1.00 0.34 C ATOM 1983 CD GLU B 61 -27.910 -2.777 4.341 1.00 1.15 C ATOM 1984 OE1 GLU B 61 -27.796 -2.554 5.535 1.00 1.82 O ATOM 1985 OE2 GLU B 61 -28.854 -2.405 3.664 1.00 1.94 O ATOM 0 H GLU B 61 -23.222 -3.502 5.428 1.00 0.28 H new ATOM 0 HA GLU B 61 -24.837 -5.366 3.984 1.00 0.30 H new ATOM 0 HB2 GLU B 61 -25.615 -3.433 5.454 1.00 0.31 H new ATOM 0 HB3 GLU B 61 -25.117 -2.326 4.190 1.00 0.31 H new ATOM 0 HG2 GLU B 61 -26.714 -3.265 2.608 1.00 0.34 H new ATOM 0 HG3 GLU B 61 -27.045 -4.634 3.651 1.00 0.34 H new ATOM 1992 N TYR B 62 -23.376 -3.030 2.153 1.00 0.26 N ATOM 1993 CA TYR B 62 -23.029 -2.712 0.736 1.00 0.25 C ATOM 1994 C TYR B 62 -22.203 -3.859 0.144 1.00 0.26 C ATOM 1995 O TYR B 62 -22.343 -4.199 -1.014 1.00 0.27 O ATOM 1996 CB TYR B 62 -22.220 -1.403 0.674 1.00 0.23 C ATOM 1997 CG TYR B 62 -23.147 -0.198 0.708 1.00 0.23 C ATOM 1998 CD1 TYR B 62 -24.151 -0.091 1.694 1.00 0.26 C ATOM 1999 CD2 TYR B 62 -23.000 0.823 -0.255 1.00 0.24 C ATOM 2000 CE1 TYR B 62 -25.001 1.032 1.713 1.00 0.27 C ATOM 2001 CE2 TYR B 62 -23.851 1.943 -0.233 1.00 0.25 C ATOM 2002 CZ TYR B 62 -24.852 2.049 0.750 1.00 0.27 C ATOM 2003 OH TYR B 62 -25.686 3.148 0.770 1.00 0.29 O ATOM 0 H TYR B 62 -23.008 -2.380 2.847 1.00 0.26 H new ATOM 0 HA TYR B 62 -23.946 -2.589 0.160 1.00 0.25 H new ATOM 0 HB2 TYR B 62 -21.526 -1.358 1.513 1.00 0.23 H new ATOM 0 HB3 TYR B 62 -21.621 -1.382 -0.237 1.00 0.23 H new ATOM 0 HD1 TYR B 62 -24.268 -0.870 2.433 1.00 0.26 H new ATOM 0 HD2 TYR B 62 -22.232 0.744 -1.011 1.00 0.24 H new ATOM 0 HE1 TYR B 62 -25.769 1.113 2.468 1.00 0.27 H new ATOM 0 HE2 TYR B 62 -23.736 2.722 -0.972 1.00 0.25 H new ATOM 0 HH TYR B 62 -25.447 3.754 0.038 1.00 0.29 H new ATOM 2013 N VAL B 63 -21.354 -4.465 0.926 1.00 0.26 N ATOM 2014 CA VAL B 63 -20.542 -5.590 0.399 1.00 0.27 C ATOM 2015 C VAL B 63 -21.482 -6.742 0.065 1.00 0.31 C ATOM 2016 O VAL B 63 -21.358 -7.387 -0.954 1.00 0.33 O ATOM 2017 CB VAL B 63 -19.522 -6.025 1.458 1.00 0.28 C ATOM 2018 CG1 VAL B 63 -18.916 -7.382 1.083 1.00 0.31 C ATOM 2019 CG2 VAL B 63 -18.407 -4.980 1.535 1.00 0.24 C ATOM 0 H VAL B 63 -21.189 -4.229 1.905 1.00 0.26 H new ATOM 0 HA VAL B 63 -20.001 -5.285 -0.497 1.00 0.27 H new ATOM 0 HB VAL B 63 -20.022 -6.114 2.422 1.00 0.28 H new ATOM 0 HG11 VAL B 63 -18.193 -7.680 1.843 1.00 0.31 H new ATOM 0 HG12 VAL B 63 -19.707 -8.129 1.022 1.00 0.31 H new ATOM 0 HG13 VAL B 63 -18.416 -7.303 0.118 1.00 0.31 H new ATOM 0 HG21 VAL B 63 -17.677 -5.282 2.286 1.00 0.24 H new ATOM 0 HG22 VAL B 63 -17.917 -4.899 0.565 1.00 0.24 H new ATOM 0 HG23 VAL B 63 -18.832 -4.014 1.809 1.00 0.24 H new ATOM 2029 N TYR B 64 -22.429 -6.993 0.921 1.00 0.33 N ATOM 2030 CA TYR B 64 -23.387 -8.096 0.666 1.00 0.37 C ATOM 2031 C TYR B 64 -24.144 -7.812 -0.629 1.00 0.37 C ATOM 2032 O TYR B 64 -24.352 -8.683 -1.447 1.00 0.40 O ATOM 2033 CB TYR B 64 -24.376 -8.178 1.835 1.00 0.39 C ATOM 2034 CG TYR B 64 -25.045 -9.535 1.854 1.00 0.44 C ATOM 2035 CD1 TYR B 64 -24.313 -10.673 2.240 1.00 0.45 C ATOM 2036 CD2 TYR B 64 -26.400 -9.661 1.488 1.00 0.47 C ATOM 2037 CE1 TYR B 64 -24.934 -11.937 2.262 1.00 0.50 C ATOM 2038 CE2 TYR B 64 -27.021 -10.925 1.510 1.00 0.51 C ATOM 2039 CZ TYR B 64 -26.288 -12.063 1.897 1.00 0.52 C ATOM 2040 OH TYR B 64 -26.897 -13.302 1.918 1.00 0.57 O ATOM 0 H TYR B 64 -22.580 -6.479 1.789 1.00 0.33 H new ATOM 0 HA TYR B 64 -22.853 -9.042 0.573 1.00 0.37 H new ATOM 0 HB2 TYR B 64 -23.854 -8.008 2.776 1.00 0.39 H new ATOM 0 HB3 TYR B 64 -25.128 -7.394 1.742 1.00 0.39 H new ATOM 0 HD1 TYR B 64 -23.274 -10.577 2.520 1.00 0.45 H new ATOM 0 HD2 TYR B 64 -26.962 -8.788 1.191 1.00 0.47 H new ATOM 0 HE1 TYR B 64 -24.371 -12.810 2.559 1.00 0.50 H new ATOM 0 HE2 TYR B 64 -28.060 -11.021 1.230 1.00 0.51 H new ATOM 0 HH TYR B 64 -27.832 -13.212 1.639 1.00 0.57 H new ATOM 2050 N ASP B 65 -24.554 -6.592 -0.817 1.00 0.36 N ATOM 2051 CA ASP B 65 -25.300 -6.235 -2.056 1.00 0.37 C ATOM 2052 C ASP B 65 -24.405 -6.457 -3.276 1.00 0.37 C ATOM 2053 O ASP B 65 -24.862 -6.839 -4.334 1.00 0.40 O ATOM 2054 CB ASP B 65 -25.717 -4.762 -1.986 1.00 0.36 C ATOM 2055 CG ASP B 65 -26.933 -4.608 -1.067 1.00 0.38 C ATOM 2056 OD1 ASP B 65 -27.749 -5.514 -1.037 1.00 1.20 O ATOM 2057 OD2 ASP B 65 -27.027 -3.585 -0.411 1.00 1.07 O ATOM 0 H ASP B 65 -24.405 -5.822 -0.165 1.00 0.36 H new ATOM 0 HA ASP B 65 -26.187 -6.863 -2.143 1.00 0.37 H new ATOM 0 HB2 ASP B 65 -24.890 -4.158 -1.613 1.00 0.36 H new ATOM 0 HB3 ASP B 65 -25.956 -4.395 -2.984 1.00 0.36 H new ATOM 2062 N LEU B 66 -23.134 -6.219 -3.134 1.00 0.34 N ATOM 2063 CA LEU B 66 -22.206 -6.413 -4.280 1.00 0.34 C ATOM 2064 C LEU B 66 -22.030 -7.910 -4.544 1.00 0.39 C ATOM 2065 O LEU B 66 -21.792 -8.330 -5.660 1.00 0.42 O ATOM 2066 CB LEU B 66 -20.852 -5.777 -3.935 1.00 0.31 C ATOM 2067 CG LEU B 66 -20.907 -4.251 -4.171 1.00 0.28 C ATOM 2068 CD1 LEU B 66 -19.809 -3.554 -3.362 1.00 0.24 C ATOM 2069 CD2 LEU B 66 -20.689 -3.933 -5.660 1.00 0.30 C ATOM 0 H LEU B 66 -22.696 -5.897 -2.271 1.00 0.34 H new ATOM 0 HA LEU B 66 -22.612 -5.941 -5.175 1.00 0.34 H new ATOM 0 HB2 LEU B 66 -20.599 -5.983 -2.895 1.00 0.31 H new ATOM 0 HB3 LEU B 66 -20.067 -6.220 -4.548 1.00 0.31 H new ATOM 0 HG LEU B 66 -21.887 -3.894 -3.856 1.00 0.28 H new ATOM 0 HD11 LEU B 66 -19.856 -2.479 -3.535 1.00 0.24 H new ATOM 0 HD12 LEU B 66 -19.954 -3.757 -2.301 1.00 0.24 H new ATOM 0 HD13 LEU B 66 -18.834 -3.929 -3.673 1.00 0.24 H new ATOM 0 HD21 LEU B 66 -20.730 -2.854 -5.812 1.00 0.30 H new ATOM 0 HD22 LEU B 66 -19.714 -4.306 -5.973 1.00 0.30 H new ATOM 0 HD23 LEU B 66 -21.468 -4.413 -6.252 1.00 0.30 H new ATOM 2081 N GLU B 67 -22.150 -8.719 -3.531 1.00 0.39 N ATOM 2082 CA GLU B 67 -21.995 -10.188 -3.732 1.00 0.44 C ATOM 2083 C GLU B 67 -23.240 -10.739 -4.432 1.00 0.49 C ATOM 2084 O GLU B 67 -23.171 -11.701 -5.170 1.00 0.53 O ATOM 2085 CB GLU B 67 -21.823 -10.883 -2.374 1.00 0.44 C ATOM 2086 CG GLU B 67 -20.486 -10.466 -1.723 1.00 0.41 C ATOM 2087 CD GLU B 67 -19.951 -11.600 -0.842 1.00 1.11 C ATOM 2088 OE1 GLU B 67 -19.957 -12.731 -1.299 1.00 1.91 O ATOM 2089 OE2 GLU B 67 -19.542 -11.317 0.272 1.00 1.72 O ATOM 0 H GLU B 67 -22.348 -8.429 -2.573 1.00 0.39 H new ATOM 0 HA GLU B 67 -21.115 -10.377 -4.347 1.00 0.44 H new ATOM 0 HB2 GLU B 67 -22.652 -10.622 -1.717 1.00 0.44 H new ATOM 0 HB3 GLU B 67 -21.849 -11.965 -2.506 1.00 0.44 H new ATOM 0 HG2 GLU B 67 -19.757 -10.221 -2.496 1.00 0.41 H new ATOM 0 HG3 GLU B 67 -20.629 -9.567 -1.124 1.00 0.41 H new ATOM 2096 N LEU B 68 -24.377 -10.137 -4.210 1.00 0.49 N ATOM 2097 CA LEU B 68 -25.618 -10.635 -4.873 1.00 0.54 C ATOM 2098 C LEU B 68 -25.650 -10.160 -6.326 1.00 0.55 C ATOM 2099 O LEU B 68 -25.314 -10.892 -7.236 1.00 0.60 O ATOM 2100 CB LEU B 68 -26.855 -10.103 -4.146 1.00 0.54 C ATOM 2101 CG LEU B 68 -26.820 -10.512 -2.670 1.00 0.54 C ATOM 2102 CD1 LEU B 68 -27.883 -9.716 -1.921 1.00 0.55 C ATOM 2103 CD2 LEU B 68 -27.119 -12.014 -2.521 1.00 0.59 C ATOM 0 H LEU B 68 -24.501 -9.327 -3.602 1.00 0.49 H new ATOM 0 HA LEU B 68 -25.620 -11.724 -4.839 1.00 0.54 H new ATOM 0 HB2 LEU B 68 -26.895 -9.017 -4.229 1.00 0.54 H new ATOM 0 HB3 LEU B 68 -27.758 -10.492 -4.617 1.00 0.54 H new ATOM 0 HG LEU B 68 -25.829 -10.309 -2.263 1.00 0.54 H new ATOM 0 HD11 LEU B 68 -27.872 -9.995 -0.867 1.00 0.55 H new ATOM 0 HD12 LEU B 68 -27.674 -8.650 -2.016 1.00 0.55 H new ATOM 0 HD13 LEU B 68 -28.864 -9.932 -2.343 1.00 0.55 H new ATOM 0 HD21 LEU B 68 -27.090 -12.288 -1.466 1.00 0.59 H new ATOM 0 HD22 LEU B 68 -28.108 -12.230 -2.925 1.00 0.59 H new ATOM 0 HD23 LEU B 68 -26.371 -12.590 -3.066 1.00 0.59 H new ATOM 2115 N ASN B 69 -26.060 -8.941 -6.551 1.00 0.61 N ATOM 2116 CA ASN B 69 -26.126 -8.412 -7.945 1.00 0.65 C ATOM 2117 C ASN B 69 -24.782 -7.770 -8.309 1.00 0.71 C ATOM 2118 O ASN B 69 -24.371 -7.909 -9.449 1.00 1.17 O ATOM 2119 CB ASN B 69 -27.262 -7.367 -8.030 1.00 0.81 C ATOM 2120 CG ASN B 69 -27.991 -7.471 -9.377 1.00 1.73 C ATOM 2121 OD1 ASN B 69 -27.576 -6.882 -10.355 1.00 2.51 O ATOM 2122 ND2 ASN B 69 -29.067 -8.205 -9.463 1.00 2.50 N ATOM 2123 OXT ASN B 69 -24.189 -7.151 -7.441 1.00 1.45 O ATOM 0 H ASN B 69 -26.353 -8.286 -5.827 1.00 0.61 H new ATOM 0 HA ASN B 69 -26.329 -9.221 -8.646 1.00 0.65 H new ATOM 0 HB2 ASN B 69 -27.969 -7.523 -7.215 1.00 0.81 H new ATOM 0 HB3 ASN B 69 -26.851 -6.365 -7.909 1.00 0.81 H new ATOM 0 HD21 ASN B 69 -29.560 -8.285 -10.352 1.00 2.50 H new ATOM 0 HD22 ASN B 69 -29.414 -8.699 -8.641 1.00 2.50 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.548 1.681 5.744 1.00 0.30 O HETATM 2134 O HOH A 202 4.227 5.603 6.415 1.00 0.22 O HETATM 2137 O HOH B 301 -6.589 -1.519 5.730 1.00 0.29 O HETATM 2140 O HOH B 302 -4.359 -5.472 6.474 1.00 0.22 O CONECT 131 520 CONECT 141 777 CONECT 520 131 CONECT 777 141 CONECT 1196 1585 CONECT 1206 1842 CONECT 1585 1196 CONECT 1842 1206 END