USER MOD reduce.3.24.130724 H: found=0, std=0, add=1278, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1278 hydrogens (0 hets) HEADER VIRAL PROTEIN 06-FEB-06 2FXP TITLE SOLUTION STRUCTURE OF THE SARS-CORONAVIRUS HR2 DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: SPIKE GLYCOPROTEIN; COMPND 3 CHAIN: A, B, C; COMPND 4 FRAGMENT: HR2 DOMAIN, RESIDUES 1140-1193; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; SOURCE 3 ORGANISM_TAXID: 227859; SOURCE 4 GENE: S; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PREFUSION INTERMEDIATE, TRIMER, COILED-COIL, VIRAL PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR M.CAFFREY,S.HAKANSSON-MCREYNOLDS,S.JIANG REVDAT 3 20-MAY-08 2FXP 1 JRNL VERSN REVDAT 2 06-FEB-07 2FXP 1 DBREF SEQADV REVDAT 1 07-MAR-06 2FXP 0 JRNL AUTH S.HAKANSSON-MCREYNOLDS,S.JIANG,L.RONG,M.CAFFREY JRNL TITL SOLUTION STRUCTURE OF THE SEVERE ACUTE RESPIRATORY JRNL TITL 2 SYNDROME-CORONAVIRUS HEPTAD REPEAT 2 DOMAIN IN THE JRNL TITL 3 PREFUSION STATE JRNL REF J.BIOL.CHEM. V. 281 11965 2006 JRNL REFN ISSN 0021-9258 JRNL PMID 16507566 JRNL DOI 10.1074/JBC.M601174200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2FXP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-FEB-06. REMARK 100 THE RCSB ID CODE IS RCSB036433. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 10 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM MONOMER, 10 MM PO4, PH REMARK 210 7.0, 30% TFE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 12C-FILTERED/13C-EDITED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS 1.0 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS 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 : 1 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 SER A 2 -74.71 -174.93 REMARK 500 PRO A 6 -165.10 -74.67 REMARK 500 SER A 14 -76.96 -69.29 REMARK 500 LYS A 49 -74.75 -99.26 REMARK 500 SER B 2 -74.71 -174.89 REMARK 500 PRO B 6 -165.05 -74.70 REMARK 500 SER B 14 -76.96 -69.28 REMARK 500 LYS B 49 -74.75 -99.29 REMARK 500 SER C 2 -74.75 -174.91 REMARK 500 PRO C 6 -165.05 -74.64 REMARK 500 SER C 14 -77.01 -69.26 REMARK 500 LYS C 49 -74.68 -99.31 REMARK 500 REMARK 500 REMARK: NULL DBREF 2FXP A 2 55 UNP P59594 SPIKE_CVHSA 1140 1193 DBREF 2FXP B 2 55 UNP P59594 SPIKE_CVHSA 1140 1193 DBREF 2FXP C 2 55 UNP P59594 SPIKE_CVHSA 1140 1193 SEQADV 2FXP GLY A 1 UNP P59594 CLONING ARTIFACT SEQADV 2FXP SER A 2 UNP P59594 CLONING ARTIFACT SEQADV 2FXP GLY B 1 UNP P59594 CLONING ARTIFACT SEQADV 2FXP SER B 2 UNP P59594 CLONING ARTIFACT SEQADV 2FXP GLY C 1 UNP P59594 CLONING ARTIFACT SEQADV 2FXP SER C 2 UNP P59594 CLONING ARTIFACT SEQRES 1 A 55 GLY SER HIS THR SER PRO ASP VAL ASP LEU GLY ASP ILE SEQRES 2 A 55 SER GLY ILE ASN ALA SER VAL VAL ASN ILE GLN LYS GLU SEQRES 3 A 55 ILE ASP ARG LEU ASN GLU VAL ALA LYS ASN LEU ASN GLU SEQRES 4 A 55 SER LEU ILE ASP LEU GLN GLU LEU GLY LYS TYR GLU GLN SEQRES 5 A 55 TYR ILE LYS SEQRES 1 B 55 GLY SER HIS THR SER PRO ASP VAL ASP LEU GLY ASP ILE SEQRES 2 B 55 SER GLY ILE ASN ALA SER VAL VAL ASN ILE GLN LYS GLU SEQRES 3 B 55 ILE ASP ARG LEU ASN GLU VAL ALA LYS ASN LEU ASN GLU SEQRES 4 B 55 SER LEU ILE ASP LEU GLN GLU LEU GLY LYS TYR GLU GLN SEQRES 5 B 55 TYR ILE LYS SEQRES 1 C 55 GLY SER HIS THR SER PRO ASP VAL ASP LEU GLY ASP ILE SEQRES 2 C 55 SER GLY ILE ASN ALA SER VAL VAL ASN ILE GLN LYS GLU SEQRES 3 C 55 ILE ASP ARG LEU ASN GLU VAL ALA LYS ASN LEU ASN GLU SEQRES 4 C 55 SER LEU ILE ASP LEU GLN GLU LEU GLY LYS TYR GLU GLN SEQRES 5 C 55 TYR ILE LYS HELIX 1 1 ASP A 9 SER A 14 1 6 HELIX 2 2 ILE A 16 GLY A 48 1 33 HELIX 3 3 ASP B 9 SER B 14 1 6 HELIX 4 4 ILE B 16 GLY B 48 1 33 HELIX 5 5 ASP C 9 SER C 14 1 6 HELIX 6 6 ILE C 16 GLY C 48 1 33 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 4 THR OG1 : rot -174:sc= -1.43 USER MOD Set 1.2: C 2 SER OG : rot -89:sc= 0.00315 USER MOD Set 1.3: C 3 HIS : no HD1:sc= -2.49 K(o=-3.9,f=0.95) USER MOD Set 2.1: A 4 THR OG1 : rot -175:sc= -1.44 USER MOD Set 2.2: B 2 SER OG : rot -90:sc= 0.0119 USER MOD Set 2.3: B 3 HIS : no HD1:sc= -2.57 K(o=-4,f=0.96) USER MOD Set 3.1: A 2 SER OG : rot -89:sc= 0.00539 USER MOD Set 3.2: A 3 HIS : no HD1:sc= -2.57 K(o=-4,f=0.92) USER MOD Set 3.3: C 4 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.256 K(o=-0.26,f=-2) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.105 K(o=-0.1,f=-0.63) USER MOD Single : A 38 ASN : amide:sc= -0.614 K(o=-0.61,f=-1.8) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0939 K(o=-0.094,f=-1.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.9) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -146:sc= -0.317 (180deg=-1.29!) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -0.254 K(o=-0.25,f=-2.1) USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.4!) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.62) USER MOD Single : B 38 ASN : amide:sc= -0.539 K(o=-0.54,f=-1.7) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 45 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.3!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= -0.849 K(o=-0.85,f=-2.8) USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 55 LYS NZ :NH3+ -148:sc= -0.315 (180deg=-1.31!) USER MOD Single : C 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 SER OG : rot 180:sc= 0 USER MOD Single : C 14 SER OG : rot 180:sc= 0 USER MOD Single : C 17 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : C 19 SER OG : rot 180:sc= 0 USER MOD Single : C 22 ASN : amide:sc= -0.26 K(o=-0.26,f=-2.1) USER MOD Single : C 24 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : C 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.2!) USER MOD Single : C 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 36 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.55) USER MOD Single : C 38 ASN : amide:sc= -0.596 K(o=-0.6,f=-1.9) USER MOD Single : C 40 SER OG : rot 180:sc= 0 USER MOD Single : C 45 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.3!) USER MOD Single : C 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 50 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= -0.836 K(o=-0.84,f=-2.7) USER MOD Single : C 53 TYR OH : rot 180:sc= 0 USER MOD Single : C 55 LYS NZ :NH3+ -150:sc= -0.287 (180deg=-1.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -50.970 -8.743 -14.744 1.00 12.26 N ATOM 2 CA GLY A 1 -50.445 -7.465 -15.299 1.00 11.80 C ATOM 3 C GLY A 1 -50.631 -6.299 -14.349 1.00 11.17 C ATOM 4 O GLY A 1 -51.694 -5.680 -14.315 1.00 11.38 O ATOM 0 H1 GLY A 1 -50.819 -9.508 -15.432 1.00 12.26 H new ATOM 0 H2 GLY A 1 -50.471 -8.968 -13.860 1.00 12.26 H new ATOM 0 H3 GLY A 1 -51.988 -8.646 -14.552 1.00 12.26 H new ATOM 0 HA2 GLY A 1 -49.385 -7.579 -15.525 1.00 11.80 H new ATOM 0 HA3 GLY A 1 -50.950 -7.247 -16.240 1.00 11.80 H new ATOM 10 N SER A 2 -49.594 -5.999 -13.574 1.00 10.59 N ATOM 11 CA SER A 2 -49.647 -4.900 -12.618 1.00 10.15 C ATOM 12 C SER A 2 -48.291 -4.693 -11.950 1.00 9.08 C ATOM 13 O SER A 2 -47.573 -3.743 -12.262 1.00 8.94 O ATOM 14 CB SER A 2 -50.716 -5.170 -11.557 1.00 10.75 C ATOM 15 OG SER A 2 -50.552 -4.317 -10.437 1.00 11.21 O ATOM 0 H SER A 2 -48.707 -6.502 -13.590 1.00 10.59 H new ATOM 0 HA SER A 2 -49.906 -3.991 -13.161 1.00 10.15 H new ATOM 0 HB2 SER A 2 -51.706 -5.022 -11.988 1.00 10.75 H new ATOM 0 HB3 SER A 2 -50.660 -6.210 -11.237 1.00 10.75 H new ATOM 0 HG SER A 2 -49.946 -4.737 -9.792 1.00 11.21 H new ATOM 21 N HIS A 3 -47.947 -5.588 -11.030 1.00 8.51 N ATOM 22 CA HIS A 3 -46.677 -5.504 -10.319 1.00 7.59 C ATOM 23 C HIS A 3 -45.579 -6.237 -11.081 1.00 7.15 C ATOM 24 O HIS A 3 -45.344 -7.426 -10.861 1.00 7.37 O ATOM 25 CB HIS A 3 -46.817 -6.088 -8.912 1.00 7.63 C ATOM 26 CG HIS A 3 -47.907 -5.453 -8.106 1.00 7.69 C ATOM 27 ND1 HIS A 3 -48.204 -4.108 -8.169 1.00 7.92 N ATOM 28 CD2 HIS A 3 -48.777 -5.987 -7.216 1.00 7.88 C ATOM 29 CE1 HIS A 3 -49.207 -3.841 -7.351 1.00 8.21 C ATOM 30 NE2 HIS A 3 -49.573 -4.964 -6.762 1.00 8.20 N ATOM 0 H HIS A 3 -48.530 -6.380 -10.759 1.00 8.51 H new ATOM 0 HA HIS A 3 -46.400 -4.453 -10.241 1.00 7.59 H new ATOM 0 HB2 HIS A 3 -47.010 -7.158 -8.989 1.00 7.63 H new ATOM 0 HB3 HIS A 3 -45.871 -5.972 -8.384 1.00 7.63 H new ATOM 0 HD2 HIS A 3 -48.834 -7.024 -6.919 1.00 7.88 H new ATOM 0 HE1 HIS A 3 -49.651 -2.870 -7.192 1.00 8.21 H new ATOM 0 HE2 HIS A 3 -50.326 -5.057 -6.080 1.00 8.20 H new ATOM 39 N THR A 4 -44.909 -5.521 -11.978 1.00 6.72 N ATOM 40 CA THR A 4 -43.836 -6.104 -12.774 1.00 6.39 C ATOM 41 C THR A 4 -42.471 -5.682 -12.241 1.00 5.36 C ATOM 42 O THR A 4 -42.354 -4.684 -11.530 1.00 5.23 O ATOM 43 CB THR A 4 -43.974 -5.686 -14.239 1.00 7.08 C ATOM 44 OG1 THR A 4 -45.328 -5.742 -14.651 1.00 7.48 O ATOM 45 CG2 THR A 4 -43.169 -6.550 -15.186 1.00 7.67 C ATOM 0 H THR A 4 -45.090 -4.536 -12.172 1.00 6.72 H new ATOM 0 HA THR A 4 -43.915 -7.189 -12.703 1.00 6.39 H new ATOM 0 HB THR A 4 -43.589 -4.667 -14.287 1.00 7.08 H new ATOM 0 HG1 THR A 4 -45.386 -5.548 -15.610 1.00 7.48 H new ATOM 0 HG21 THR A 4 -43.312 -6.200 -16.208 1.00 7.67 H new ATOM 0 HG22 THR A 4 -42.112 -6.489 -14.925 1.00 7.67 H new ATOM 0 HG23 THR A 4 -43.503 -7.585 -15.107 1.00 7.67 H new ATOM 53 N SER A 5 -41.442 -6.447 -12.589 1.00 4.84 N ATOM 54 CA SER A 5 -40.085 -6.151 -12.145 1.00 3.89 C ATOM 55 C SER A 5 -39.124 -6.094 -13.331 1.00 3.63 C ATOM 56 O SER A 5 -39.206 -6.914 -14.246 1.00 3.91 O ATOM 57 CB SER A 5 -39.613 -7.205 -11.142 1.00 3.77 C ATOM 58 OG SER A 5 -39.168 -8.376 -11.804 1.00 4.47 O ATOM 0 H SER A 5 -41.522 -7.277 -13.177 1.00 4.84 H new ATOM 0 HA SER A 5 -40.093 -5.175 -11.660 1.00 3.89 H new ATOM 0 HB2 SER A 5 -38.805 -6.797 -10.535 1.00 3.77 H new ATOM 0 HB3 SER A 5 -40.428 -7.455 -10.462 1.00 3.77 H new ATOM 0 HG SER A 5 -38.870 -9.033 -11.141 1.00 4.47 H new ATOM 64 N PRO A 6 -38.194 -5.122 -13.331 1.00 3.34 N ATOM 65 CA PRO A 6 -37.216 -4.965 -14.412 1.00 3.39 C ATOM 66 C PRO A 6 -36.118 -6.022 -14.353 1.00 3.24 C ATOM 67 O PRO A 6 -36.248 -7.027 -13.655 1.00 3.22 O ATOM 68 CB PRO A 6 -36.636 -3.574 -14.155 1.00 3.44 C ATOM 69 CG PRO A 6 -36.764 -3.381 -12.685 1.00 3.39 C ATOM 70 CD PRO A 6 -38.022 -4.100 -12.278 1.00 3.29 C ATOM 0 HA PRO A 6 -37.667 -5.080 -15.398 1.00 3.39 H new ATOM 0 HB2 PRO A 6 -35.595 -3.513 -14.474 1.00 3.44 H new ATOM 0 HB3 PRO A 6 -37.183 -2.808 -14.705 1.00 3.44 H new ATOM 0 HG2 PRO A 6 -35.897 -3.785 -12.162 1.00 3.39 H new ATOM 0 HG3 PRO A 6 -36.822 -2.322 -12.435 1.00 3.39 H new ATOM 0 HD2 PRO A 6 -37.924 -4.553 -11.292 1.00 3.29 H new ATOM 0 HD3 PRO A 6 -38.875 -3.422 -12.234 1.00 3.29 H new ATOM 78 N ASP A 7 -35.035 -5.787 -15.087 1.00 3.41 N ATOM 79 CA ASP A 7 -33.915 -6.719 -15.113 1.00 3.53 C ATOM 80 C ASP A 7 -32.944 -6.420 -13.977 1.00 3.08 C ATOM 81 O ASP A 7 -32.282 -5.382 -13.970 1.00 3.35 O ATOM 82 CB ASP A 7 -33.187 -6.641 -16.456 1.00 4.24 C ATOM 83 CG ASP A 7 -33.941 -7.351 -17.564 1.00 4.73 C ATOM 84 OD1 ASP A 7 -34.740 -8.258 -17.251 1.00 5.05 O ATOM 85 OD2 ASP A 7 -33.732 -6.999 -18.744 1.00 5.18 O ATOM 0 H ASP A 7 -34.910 -4.960 -15.671 1.00 3.41 H new ATOM 0 HA ASP A 7 -34.307 -7.728 -14.982 1.00 3.53 H new ATOM 0 HB2 ASP A 7 -33.045 -5.595 -16.729 1.00 4.24 H new ATOM 0 HB3 ASP A 7 -32.195 -7.082 -16.355 1.00 4.24 H new ATOM 90 N VAL A 8 -32.869 -7.332 -13.013 1.00 2.60 N ATOM 91 CA VAL A 8 -31.984 -7.159 -11.869 1.00 2.23 C ATOM 92 C VAL A 8 -30.614 -7.779 -12.128 1.00 2.23 C ATOM 93 O VAL A 8 -30.392 -8.961 -11.862 1.00 2.32 O ATOM 94 CB VAL A 8 -32.594 -7.776 -10.593 1.00 1.98 C ATOM 95 CG1 VAL A 8 -32.834 -9.268 -10.775 1.00 2.80 C ATOM 96 CG2 VAL A 8 -31.701 -7.513 -9.388 1.00 2.36 C ATOM 0 H VAL A 8 -33.410 -8.197 -13.002 1.00 2.60 H new ATOM 0 HA VAL A 8 -31.862 -6.086 -11.720 1.00 2.23 H new ATOM 0 HB VAL A 8 -33.557 -7.299 -10.412 1.00 1.98 H new ATOM 0 HG11 VAL A 8 -33.264 -9.681 -9.863 1.00 2.80 H new ATOM 0 HG12 VAL A 8 -33.522 -9.427 -11.605 1.00 2.80 H new ATOM 0 HG13 VAL A 8 -31.888 -9.765 -10.987 1.00 2.80 H new ATOM 0 HG21 VAL A 8 -32.150 -7.956 -8.499 1.00 2.36 H new ATOM 0 HG22 VAL A 8 -30.720 -7.956 -9.559 1.00 2.36 H new ATOM 0 HG23 VAL A 8 -31.594 -6.438 -9.242 1.00 2.36 H new ATOM 106 N ASP A 9 -29.695 -6.969 -12.641 1.00 2.32 N ATOM 107 CA ASP A 9 -28.342 -7.430 -12.928 1.00 2.39 C ATOM 108 C ASP A 9 -27.417 -7.126 -11.756 1.00 1.87 C ATOM 109 O ASP A 9 -26.928 -6.006 -11.615 1.00 1.64 O ATOM 110 CB ASP A 9 -27.811 -6.768 -14.201 1.00 2.89 C ATOM 111 CG ASP A 9 -28.611 -7.152 -15.430 1.00 3.42 C ATOM 112 OD1 ASP A 9 -28.611 -8.349 -15.788 1.00 3.76 O ATOM 113 OD2 ASP A 9 -29.236 -6.257 -16.035 1.00 3.95 O ATOM 0 H ASP A 9 -29.863 -5.989 -12.867 1.00 2.32 H new ATOM 0 HA ASP A 9 -28.372 -8.509 -13.080 1.00 2.39 H new ATOM 0 HB2 ASP A 9 -27.833 -5.685 -14.080 1.00 2.89 H new ATOM 0 HB3 ASP A 9 -26.769 -7.051 -14.347 1.00 2.89 H new ATOM 118 N LEU A 10 -27.186 -8.125 -10.913 1.00 1.87 N ATOM 119 CA LEU A 10 -26.327 -7.955 -9.748 1.00 1.57 C ATOM 120 C LEU A 10 -24.855 -7.994 -10.143 1.00 1.50 C ATOM 121 O LEU A 10 -24.018 -7.339 -9.521 1.00 1.41 O ATOM 122 CB LEU A 10 -26.620 -9.043 -8.714 1.00 1.94 C ATOM 123 CG LEU A 10 -26.507 -10.478 -9.237 1.00 2.78 C ATOM 124 CD1 LEU A 10 -25.226 -11.130 -8.740 1.00 3.41 C ATOM 125 CD2 LEU A 10 -27.720 -11.297 -8.819 1.00 3.40 C ATOM 0 H LEU A 10 -27.581 -9.060 -11.014 1.00 1.87 H new ATOM 0 HA LEU A 10 -26.538 -6.979 -9.311 1.00 1.57 H new ATOM 0 HB2 LEU A 10 -25.933 -8.922 -7.876 1.00 1.94 H new ATOM 0 HB3 LEU A 10 -27.627 -8.892 -8.325 1.00 1.94 H new ATOM 0 HG LEU A 10 -26.474 -10.444 -10.326 1.00 2.78 H new ATOM 0 HD11 LEU A 10 -25.164 -12.149 -9.122 1.00 3.41 H new ATOM 0 HD12 LEU A 10 -24.367 -10.558 -9.091 1.00 3.41 H new ATOM 0 HD13 LEU A 10 -25.227 -11.151 -7.650 1.00 3.41 H new ATOM 0 HD21 LEU A 10 -27.621 -12.314 -9.200 1.00 3.40 H new ATOM 0 HD22 LEU A 10 -27.785 -11.322 -7.731 1.00 3.40 H new ATOM 0 HD23 LEU A 10 -28.623 -10.843 -9.226 1.00 3.40 H new ATOM 137 N GLY A 11 -24.546 -8.762 -11.181 1.00 1.75 N ATOM 138 CA GLY A 11 -23.174 -8.865 -11.641 1.00 1.79 C ATOM 139 C GLY A 11 -22.762 -7.697 -12.518 1.00 1.62 C ATOM 140 O GLY A 11 -21.577 -7.512 -12.798 1.00 1.80 O ATOM 0 H GLY A 11 -25.220 -9.314 -11.712 1.00 1.75 H new ATOM 0 HA2 GLY A 11 -22.509 -8.919 -10.779 1.00 1.79 H new ATOM 0 HA3 GLY A 11 -23.050 -9.794 -12.198 1.00 1.79 H new ATOM 144 N ASP A 12 -23.740 -6.908 -12.957 1.00 1.60 N ATOM 145 CA ASP A 12 -23.467 -5.757 -13.810 1.00 1.77 C ATOM 146 C ASP A 12 -23.555 -4.452 -13.024 1.00 1.63 C ATOM 147 O ASP A 12 -22.705 -3.573 -13.168 1.00 1.88 O ATOM 148 CB ASP A 12 -24.448 -5.724 -14.984 1.00 2.20 C ATOM 149 CG ASP A 12 -24.397 -6.991 -15.815 1.00 2.76 C ATOM 150 OD1 ASP A 12 -23.328 -7.636 -15.850 1.00 3.34 O ATOM 151 OD2 ASP A 12 -25.427 -7.338 -16.431 1.00 3.14 O ATOM 0 H ASP A 12 -24.726 -7.045 -12.736 1.00 1.60 H new ATOM 0 HA ASP A 12 -22.451 -5.857 -14.192 1.00 1.77 H new ATOM 0 HB2 ASP A 12 -25.460 -5.582 -14.605 1.00 2.20 H new ATOM 0 HB3 ASP A 12 -24.222 -4.867 -15.619 1.00 2.20 H new ATOM 156 N ILE A 13 -24.590 -4.327 -12.197 1.00 1.35 N ATOM 157 CA ILE A 13 -24.784 -3.122 -11.396 1.00 1.28 C ATOM 158 C ILE A 13 -23.566 -2.830 -10.526 1.00 1.16 C ATOM 159 O ILE A 13 -23.243 -1.671 -10.265 1.00 1.31 O ATOM 160 CB ILE A 13 -26.027 -3.230 -10.493 1.00 1.19 C ATOM 161 CG1 ILE A 13 -25.903 -4.424 -9.539 1.00 1.21 C ATOM 162 CG2 ILE A 13 -27.288 -3.342 -11.337 1.00 1.83 C ATOM 163 CD1 ILE A 13 -25.739 -4.023 -8.089 1.00 1.53 C ATOM 0 H ILE A 13 -25.305 -5.043 -12.064 1.00 1.35 H new ATOM 0 HA ILE A 13 -24.929 -2.304 -12.102 1.00 1.28 H new ATOM 0 HB ILE A 13 -26.096 -2.323 -9.892 1.00 1.19 H new ATOM 0 HG12 ILE A 13 -26.790 -5.051 -9.636 1.00 1.21 H new ATOM 0 HG13 ILE A 13 -25.049 -5.031 -9.839 1.00 1.21 H new ATOM 0 HG21 ILE A 13 -28.157 -3.418 -10.684 1.00 1.83 H new ATOM 0 HG22 ILE A 13 -27.383 -2.458 -11.968 1.00 1.83 H new ATOM 0 HG23 ILE A 13 -27.228 -4.231 -11.965 1.00 1.83 H new ATOM 0 HD11 ILE A 13 -25.657 -4.917 -7.471 1.00 1.53 H new ATOM 0 HD12 ILE A 13 -24.837 -3.421 -7.978 1.00 1.53 H new ATOM 0 HD13 ILE A 13 -26.605 -3.441 -7.772 1.00 1.53 H new ATOM 175 N SER A 14 -22.894 -3.885 -10.082 1.00 1.01 N ATOM 176 CA SER A 14 -21.712 -3.735 -9.244 1.00 0.99 C ATOM 177 C SER A 14 -20.556 -3.147 -10.045 1.00 1.11 C ATOM 178 O SER A 14 -20.243 -1.962 -9.927 1.00 1.23 O ATOM 179 CB SER A 14 -21.306 -5.087 -8.651 1.00 1.00 C ATOM 180 OG SER A 14 -21.900 -5.286 -7.381 1.00 1.57 O ATOM 0 H SER A 14 -23.147 -4.851 -10.288 1.00 1.01 H new ATOM 0 HA SER A 14 -21.954 -3.051 -8.431 1.00 0.99 H new ATOM 0 HB2 SER A 14 -21.606 -5.888 -9.326 1.00 1.00 H new ATOM 0 HB3 SER A 14 -20.221 -5.137 -8.560 1.00 1.00 H new ATOM 0 HG SER A 14 -21.626 -6.157 -7.025 1.00 1.57 H new ATOM 186 N GLY A 15 -19.929 -3.985 -10.861 1.00 1.17 N ATOM 187 CA GLY A 15 -18.814 -3.540 -11.678 1.00 1.34 C ATOM 188 C GLY A 15 -17.568 -3.233 -10.865 1.00 1.28 C ATOM 189 O GLY A 15 -16.575 -2.746 -11.406 1.00 1.43 O ATOM 0 H GLY A 15 -20.173 -4.969 -10.972 1.00 1.17 H new ATOM 0 HA2 GLY A 15 -18.580 -4.309 -12.414 1.00 1.34 H new ATOM 0 HA3 GLY A 15 -19.109 -2.648 -12.231 1.00 1.34 H new ATOM 193 N ILE A 16 -17.616 -3.516 -9.566 1.00 1.10 N ATOM 194 CA ILE A 16 -16.478 -3.264 -8.689 1.00 1.09 C ATOM 195 C ILE A 16 -15.630 -4.518 -8.498 1.00 1.05 C ATOM 196 O ILE A 16 -14.477 -4.436 -8.076 1.00 1.02 O ATOM 197 CB ILE A 16 -16.930 -2.745 -7.310 1.00 1.11 C ATOM 198 CG1 ILE A 16 -17.846 -3.763 -6.624 1.00 1.25 C ATOM 199 CG2 ILE A 16 -17.635 -1.405 -7.455 1.00 1.62 C ATOM 200 CD1 ILE A 16 -17.113 -4.708 -5.698 1.00 2.04 C ATOM 0 H ILE A 16 -18.429 -3.919 -9.099 1.00 1.10 H new ATOM 0 HA ILE A 16 -15.875 -2.498 -9.177 1.00 1.09 H new ATOM 0 HB ILE A 16 -16.047 -2.607 -6.687 1.00 1.11 H new ATOM 0 HG12 ILE A 16 -18.608 -3.229 -6.056 1.00 1.25 H new ATOM 0 HG13 ILE A 16 -18.365 -4.344 -7.386 1.00 1.25 H new ATOM 0 HG21 ILE A 16 -17.949 -1.051 -6.473 1.00 1.62 H new ATOM 0 HG22 ILE A 16 -16.953 -0.681 -7.901 1.00 1.62 H new ATOM 0 HG23 ILE A 16 -18.510 -1.521 -8.095 1.00 1.62 H new ATOM 0 HD11 ILE A 16 -17.824 -5.400 -5.247 1.00 2.04 H new ATOM 0 HD12 ILE A 16 -16.370 -5.269 -6.264 1.00 2.04 H new ATOM 0 HD13 ILE A 16 -16.616 -4.137 -4.914 1.00 2.04 H new ATOM 212 N ASN A 17 -16.202 -5.679 -8.812 1.00 1.12 N ATOM 213 CA ASN A 17 -15.489 -6.945 -8.672 1.00 1.23 C ATOM 214 C ASN A 17 -14.105 -6.863 -9.309 1.00 1.31 C ATOM 215 O ASN A 17 -13.102 -7.221 -8.691 1.00 1.33 O ATOM 216 CB ASN A 17 -16.290 -8.081 -9.310 1.00 1.42 C ATOM 217 CG ASN A 17 -15.632 -9.433 -9.115 1.00 1.89 C ATOM 218 OD1 ASN A 17 -14.874 -9.636 -8.166 1.00 2.49 O ATOM 219 ND2 ASN A 17 -15.920 -10.367 -10.014 1.00 2.58 N ATOM 0 H ASN A 17 -17.155 -5.768 -9.164 1.00 1.12 H new ATOM 0 HA ASN A 17 -15.369 -7.149 -7.608 1.00 1.23 H new ATOM 0 HB2 ASN A 17 -17.291 -8.102 -8.880 1.00 1.42 H new ATOM 0 HB3 ASN A 17 -16.405 -7.886 -10.376 1.00 1.42 H new ATOM 0 HD21 ASN A 17 -15.508 -11.296 -9.934 1.00 2.58 H new ATOM 0 HD22 ASN A 17 -16.554 -10.155 -10.785 1.00 2.58 H new ATOM 226 N ALA A 18 -14.058 -6.380 -10.547 1.00 1.41 N ATOM 227 CA ALA A 18 -12.797 -6.241 -11.263 1.00 1.55 C ATOM 228 C ALA A 18 -11.877 -5.259 -10.548 1.00 1.42 C ATOM 229 O ALA A 18 -10.654 -5.391 -10.595 1.00 1.49 O ATOM 230 CB ALA A 18 -13.049 -5.789 -12.694 1.00 1.73 C ATOM 0 H ALA A 18 -14.878 -6.079 -11.073 1.00 1.41 H new ATOM 0 HA ALA A 18 -12.306 -7.214 -11.286 1.00 1.55 H new ATOM 0 HB1 ALA A 18 -12.098 -5.689 -13.217 1.00 1.73 H new ATOM 0 HB2 ALA A 18 -13.668 -6.526 -13.205 1.00 1.73 H new ATOM 0 HB3 ALA A 18 -13.562 -4.827 -12.687 1.00 1.73 H new ATOM 236 N SER A 19 -12.476 -4.276 -9.882 1.00 1.26 N ATOM 237 CA SER A 19 -11.713 -3.272 -9.151 1.00 1.16 C ATOM 238 C SER A 19 -11.108 -3.871 -7.886 1.00 1.01 C ATOM 239 O SER A 19 -9.960 -3.588 -7.542 1.00 1.02 O ATOM 240 CB SER A 19 -12.606 -2.083 -8.790 1.00 1.11 C ATOM 241 OG SER A 19 -13.005 -1.374 -9.951 1.00 1.75 O ATOM 0 H SER A 19 -13.488 -4.154 -9.834 1.00 1.26 H new ATOM 0 HA SER A 19 -10.904 -2.925 -9.794 1.00 1.16 H new ATOM 0 HB2 SER A 19 -13.487 -2.436 -8.254 1.00 1.11 H new ATOM 0 HB3 SER A 19 -12.071 -1.413 -8.117 1.00 1.11 H new ATOM 0 HG SER A 19 -13.576 -0.620 -9.694 1.00 1.75 H new ATOM 247 N VAL A 20 -11.886 -4.704 -7.200 1.00 0.94 N ATOM 248 CA VAL A 20 -11.424 -5.348 -5.976 1.00 0.91 C ATOM 249 C VAL A 20 -10.148 -6.142 -6.227 1.00 1.04 C ATOM 250 O VAL A 20 -9.167 -6.010 -5.495 1.00 1.01 O ATOM 251 CB VAL A 20 -12.495 -6.292 -5.395 1.00 0.98 C ATOM 252 CG1 VAL A 20 -12.100 -6.755 -4.001 1.00 1.66 C ATOM 253 CG2 VAL A 20 -13.854 -5.609 -5.372 1.00 1.51 C ATOM 0 H VAL A 20 -12.838 -4.948 -7.471 1.00 0.94 H new ATOM 0 HA VAL A 20 -11.224 -4.554 -5.256 1.00 0.91 H new ATOM 0 HB VAL A 20 -12.566 -7.169 -6.038 1.00 0.98 H new ATOM 0 HG11 VAL A 20 -12.868 -7.420 -3.607 1.00 1.66 H new ATOM 0 HG12 VAL A 20 -11.150 -7.287 -4.050 1.00 1.66 H new ATOM 0 HG13 VAL A 20 -11.999 -5.890 -3.345 1.00 1.66 H new ATOM 0 HG21 VAL A 20 -14.597 -6.291 -4.959 1.00 1.51 H new ATOM 0 HG22 VAL A 20 -13.800 -4.713 -4.754 1.00 1.51 H new ATOM 0 HG23 VAL A 20 -14.140 -5.333 -6.387 1.00 1.51 H new ATOM 263 N VAL A 21 -10.165 -6.963 -7.272 1.00 1.22 N ATOM 264 CA VAL A 21 -9.005 -7.770 -7.624 1.00 1.41 C ATOM 265 C VAL A 21 -7.826 -6.881 -8.000 1.00 1.41 C ATOM 266 O VAL A 21 -6.686 -7.149 -7.622 1.00 1.46 O ATOM 267 CB VAL A 21 -9.314 -8.722 -8.795 1.00 1.63 C ATOM 268 CG1 VAL A 21 -8.143 -9.660 -9.046 1.00 2.19 C ATOM 269 CG2 VAL A 21 -10.588 -9.510 -8.525 1.00 2.13 C ATOM 0 H VAL A 21 -10.968 -7.086 -7.888 1.00 1.22 H new ATOM 0 HA VAL A 21 -8.749 -8.365 -6.747 1.00 1.41 H new ATOM 0 HB VAL A 21 -9.469 -8.122 -9.692 1.00 1.63 H new ATOM 0 HG11 VAL A 21 -8.381 -10.324 -9.877 1.00 2.19 H new ATOM 0 HG12 VAL A 21 -7.255 -9.077 -9.290 1.00 2.19 H new ATOM 0 HG13 VAL A 21 -7.953 -10.252 -8.151 1.00 2.19 H new ATOM 0 HG21 VAL A 21 -10.788 -10.176 -9.364 1.00 2.13 H new ATOM 0 HG22 VAL A 21 -10.466 -10.098 -7.615 1.00 2.13 H new ATOM 0 HG23 VAL A 21 -11.423 -8.820 -8.402 1.00 2.13 H new ATOM 279 N ASN A 22 -8.113 -5.819 -8.747 1.00 1.39 N ATOM 280 CA ASN A 22 -7.082 -4.882 -9.176 1.00 1.45 C ATOM 281 C ASN A 22 -6.411 -4.222 -7.977 1.00 1.26 C ATOM 282 O ASN A 22 -5.185 -4.210 -7.869 1.00 1.30 O ATOM 283 CB ASN A 22 -7.681 -3.813 -10.088 1.00 1.54 C ATOM 284 CG ASN A 22 -7.926 -4.321 -11.495 1.00 1.94 C ATOM 285 OD1 ASN A 22 -8.252 -5.491 -11.697 1.00 2.45 O ATOM 286 ND2 ASN A 22 -7.769 -3.442 -12.478 1.00 2.37 N ATOM 0 H ASN A 22 -9.053 -5.586 -9.068 1.00 1.39 H new ATOM 0 HA ASN A 22 -6.328 -5.442 -9.729 1.00 1.45 H new ATOM 0 HB2 ASN A 22 -8.622 -3.463 -9.663 1.00 1.54 H new ATOM 0 HB3 ASN A 22 -7.010 -2.955 -10.127 1.00 1.54 H new ATOM 0 HD21 ASN A 22 -7.920 -3.727 -13.446 1.00 2.37 H new ATOM 0 HD22 ASN A 22 -7.498 -2.482 -12.265 1.00 2.37 H new ATOM 293 N ILE A 23 -7.222 -3.672 -7.076 1.00 1.07 N ATOM 294 CA ILE A 23 -6.698 -3.012 -5.887 1.00 0.89 C ATOM 295 C ILE A 23 -5.902 -3.994 -5.035 1.00 0.88 C ATOM 296 O ILE A 23 -4.895 -3.630 -4.428 1.00 0.82 O ATOM 297 CB ILE A 23 -7.825 -2.386 -5.038 1.00 0.73 C ATOM 298 CG1 ILE A 23 -7.238 -1.626 -3.847 1.00 1.19 C ATOM 299 CG2 ILE A 23 -8.799 -3.455 -4.564 1.00 1.60 C ATOM 300 CD1 ILE A 23 -6.568 -0.325 -4.231 1.00 1.65 C ATOM 0 H ILE A 23 -8.239 -3.671 -7.148 1.00 1.07 H new ATOM 0 HA ILE A 23 -6.041 -2.211 -6.226 1.00 0.89 H new ATOM 0 HB ILE A 23 -8.373 -1.680 -5.662 1.00 0.73 H new ATOM 0 HG12 ILE A 23 -8.033 -1.418 -3.131 1.00 1.19 H new ATOM 0 HG13 ILE A 23 -6.513 -2.263 -3.341 1.00 1.19 H new ATOM 0 HG21 ILE A 23 -9.585 -2.992 -3.967 1.00 1.60 H new ATOM 0 HG22 ILE A 23 -9.243 -3.951 -5.427 1.00 1.60 H new ATOM 0 HG23 ILE A 23 -8.268 -4.188 -3.957 1.00 1.60 H new ATOM 0 HD11 ILE A 23 -6.175 0.160 -3.337 1.00 1.65 H new ATOM 0 HD12 ILE A 23 -5.751 -0.527 -4.923 1.00 1.65 H new ATOM 0 HD13 ILE A 23 -7.295 0.331 -4.710 1.00 1.65 H new ATOM 312 N GLN A 24 -6.353 -5.244 -5.005 1.00 0.99 N ATOM 313 CA GLN A 24 -5.672 -6.279 -4.241 1.00 1.09 C ATOM 314 C GLN A 24 -4.256 -6.475 -4.768 1.00 1.21 C ATOM 315 O GLN A 24 -3.286 -6.415 -4.013 1.00 1.18 O ATOM 316 CB GLN A 24 -6.448 -7.596 -4.316 1.00 1.27 C ATOM 317 CG GLN A 24 -6.211 -8.509 -3.124 1.00 1.47 C ATOM 318 CD GLN A 24 -7.021 -9.788 -3.200 1.00 1.78 C ATOM 319 OE1 GLN A 24 -7.124 -10.410 -4.257 1.00 2.40 O ATOM 320 NE2 GLN A 24 -7.603 -10.188 -2.075 1.00 2.17 N ATOM 0 H GLN A 24 -7.186 -5.563 -5.500 1.00 0.99 H new ATOM 0 HA GLN A 24 -5.620 -5.964 -3.199 1.00 1.09 H new ATOM 0 HB2 GLN A 24 -7.513 -7.377 -4.390 1.00 1.27 H new ATOM 0 HB3 GLN A 24 -6.167 -8.122 -5.228 1.00 1.27 H new ATOM 0 HG2 GLN A 24 -5.151 -8.757 -3.066 1.00 1.47 H new ATOM 0 HG3 GLN A 24 -6.464 -7.977 -2.207 1.00 1.47 H new ATOM 0 HE21 GLN A 24 -7.491 -9.642 -1.221 1.00 2.17 H new ATOM 0 HE22 GLN A 24 -8.162 -11.041 -2.065 1.00 2.17 H new ATOM 329 N LYS A 25 -4.147 -6.697 -6.075 1.00 1.37 N ATOM 330 CA LYS A 25 -2.852 -6.886 -6.714 1.00 1.53 C ATOM 331 C LYS A 25 -2.014 -5.612 -6.605 1.00 1.41 C ATOM 332 O LYS A 25 -0.783 -5.657 -6.664 1.00 1.48 O ATOM 333 CB LYS A 25 -3.047 -7.289 -8.182 1.00 1.76 C ATOM 334 CG LYS A 25 -1.924 -6.847 -9.110 1.00 2.47 C ATOM 335 CD LYS A 25 -2.131 -5.418 -9.586 1.00 3.14 C ATOM 336 CE LYS A 25 -2.013 -5.309 -11.098 1.00 4.07 C ATOM 337 NZ LYS A 25 -3.245 -5.782 -11.787 1.00 4.68 N ATOM 0 H LYS A 25 -4.942 -6.750 -6.711 1.00 1.37 H new ATOM 0 HA LYS A 25 -2.317 -7.687 -6.204 1.00 1.53 H new ATOM 0 HB2 LYS A 25 -3.143 -8.373 -8.239 1.00 1.76 H new ATOM 0 HB3 LYS A 25 -3.986 -6.866 -8.540 1.00 1.76 H new ATOM 0 HG2 LYS A 25 -0.969 -6.925 -8.591 1.00 2.47 H new ATOM 0 HG3 LYS A 25 -1.875 -7.515 -9.970 1.00 2.47 H new ATOM 0 HD2 LYS A 25 -3.114 -5.068 -9.271 1.00 3.14 H new ATOM 0 HD3 LYS A 25 -1.395 -4.767 -9.115 1.00 3.14 H new ATOM 0 HE2 LYS A 25 -1.819 -4.272 -11.373 1.00 4.07 H new ATOM 0 HE3 LYS A 25 -1.159 -5.895 -11.439 1.00 4.07 H new ATOM 0 HZ1 LYS A 25 -3.124 -5.691 -12.816 1.00 4.68 H new ATOM 0 HZ2 LYS A 25 -3.417 -6.779 -11.545 1.00 4.68 H new ATOM 0 HZ3 LYS A 25 -4.056 -5.207 -11.482 1.00 4.68 H new ATOM 351 N GLU A 26 -2.688 -4.477 -6.440 1.00 1.24 N ATOM 352 CA GLU A 26 -2.003 -3.198 -6.323 1.00 1.16 C ATOM 353 C GLU A 26 -1.204 -3.146 -5.029 1.00 1.00 C ATOM 354 O GLU A 26 -0.008 -2.852 -5.039 1.00 1.01 O ATOM 355 CB GLU A 26 -3.009 -2.047 -6.366 1.00 1.08 C ATOM 356 CG GLU A 26 -2.445 -0.770 -6.969 1.00 1.37 C ATOM 357 CD GLU A 26 -3.470 -0.009 -7.787 1.00 1.78 C ATOM 358 OE1 GLU A 26 -4.681 -0.194 -7.542 1.00 2.40 O ATOM 359 OE2 GLU A 26 -3.062 0.771 -8.672 1.00 2.28 O ATOM 0 H GLU A 26 -3.705 -4.419 -6.385 1.00 1.24 H new ATOM 0 HA GLU A 26 -1.318 -3.094 -7.165 1.00 1.16 H new ATOM 0 HB2 GLU A 26 -3.880 -2.358 -6.943 1.00 1.08 H new ATOM 0 HB3 GLU A 26 -3.355 -1.839 -5.353 1.00 1.08 H new ATOM 0 HG2 GLU A 26 -2.074 -0.128 -6.170 1.00 1.37 H new ATOM 0 HG3 GLU A 26 -1.592 -1.017 -7.601 1.00 1.37 H new ATOM 366 N ILE A 27 -1.862 -3.448 -3.912 1.00 0.88 N ATOM 367 CA ILE A 27 -1.186 -3.445 -2.625 1.00 0.77 C ATOM 368 C ILE A 27 -0.006 -4.402 -2.661 1.00 0.93 C ATOM 369 O ILE A 27 1.084 -4.080 -2.191 1.00 0.90 O ATOM 370 CB ILE A 27 -2.140 -3.813 -1.466 1.00 0.72 C ATOM 371 CG1 ILE A 27 -1.788 -2.993 -0.228 1.00 0.60 C ATOM 372 CG2 ILE A 27 -2.089 -5.303 -1.147 1.00 0.91 C ATOM 373 CD1 ILE A 27 -2.983 -2.673 0.640 1.00 0.61 C ATOM 0 H ILE A 27 -2.851 -3.695 -3.875 1.00 0.88 H new ATOM 0 HA ILE A 27 -0.830 -2.432 -2.440 1.00 0.77 H new ATOM 0 HB ILE A 27 -3.158 -3.580 -1.778 1.00 0.72 H new ATOM 0 HG12 ILE A 27 -1.054 -3.540 0.364 1.00 0.60 H new ATOM 0 HG13 ILE A 27 -1.315 -2.062 -0.540 1.00 0.60 H new ATOM 0 HG21 ILE A 27 -2.773 -5.523 -0.327 1.00 0.91 H new ATOM 0 HG22 ILE A 27 -2.383 -5.874 -2.028 1.00 0.91 H new ATOM 0 HG23 ILE A 27 -1.075 -5.579 -0.858 1.00 0.91 H new ATOM 0 HD11 ILE A 27 -2.661 -2.089 1.502 1.00 0.61 H new ATOM 0 HD12 ILE A 27 -3.708 -2.099 0.063 1.00 0.61 H new ATOM 0 HD13 ILE A 27 -3.443 -3.600 0.982 1.00 0.61 H new ATOM 385 N ASP A 28 -0.225 -5.572 -3.257 1.00 1.11 N ATOM 386 CA ASP A 28 0.834 -6.560 -3.391 1.00 1.30 C ATOM 387 C ASP A 28 2.032 -5.909 -4.065 1.00 1.30 C ATOM 388 O ASP A 28 3.184 -6.212 -3.753 1.00 1.35 O ATOM 389 CB ASP A 28 0.353 -7.761 -4.207 1.00 1.53 C ATOM 390 CG ASP A 28 -0.151 -8.890 -3.330 1.00 1.80 C ATOM 391 OD1 ASP A 28 -1.160 -8.687 -2.623 1.00 2.24 O ATOM 392 OD2 ASP A 28 0.463 -9.978 -3.351 1.00 2.23 O ATOM 0 H ASP A 28 -1.122 -5.855 -3.652 1.00 1.11 H new ATOM 0 HA ASP A 28 1.119 -6.920 -2.402 1.00 1.30 H new ATOM 0 HB2 ASP A 28 -0.443 -7.444 -4.880 1.00 1.53 H new ATOM 0 HB3 ASP A 28 1.170 -8.125 -4.829 1.00 1.53 H new ATOM 397 N ARG A 29 1.739 -4.986 -4.980 1.00 1.28 N ATOM 398 CA ARG A 29 2.776 -4.256 -5.688 1.00 1.33 C ATOM 399 C ARG A 29 3.547 -3.370 -4.715 1.00 1.16 C ATOM 400 O ARG A 29 4.763 -3.219 -4.832 1.00 1.22 O ATOM 401 CB ARG A 29 2.163 -3.407 -6.806 1.00 1.39 C ATOM 402 CG ARG A 29 2.754 -3.692 -8.177 1.00 1.64 C ATOM 403 CD ARG A 29 1.988 -2.971 -9.274 1.00 2.01 C ATOM 404 NE ARG A 29 2.180 -3.598 -10.579 1.00 2.37 N ATOM 405 CZ ARG A 29 3.320 -3.549 -11.265 1.00 2.99 C ATOM 406 NH1 ARG A 29 4.371 -2.903 -10.773 1.00 3.48 N ATOM 407 NH2 ARG A 29 3.410 -4.147 -12.445 1.00 3.63 N ATOM 0 H ARG A 29 0.788 -4.729 -5.245 1.00 1.28 H new ATOM 0 HA ARG A 29 3.465 -4.972 -6.136 1.00 1.33 H new ATOM 0 HB2 ARG A 29 1.088 -3.585 -6.838 1.00 1.39 H new ATOM 0 HB3 ARG A 29 2.305 -2.352 -6.570 1.00 1.39 H new ATOM 0 HG2 ARG A 29 3.798 -3.381 -8.196 1.00 1.64 H new ATOM 0 HG3 ARG A 29 2.738 -4.765 -8.365 1.00 1.64 H new ATOM 0 HD2 ARG A 29 0.926 -2.962 -9.029 1.00 2.01 H new ATOM 0 HD3 ARG A 29 2.313 -1.932 -9.320 1.00 2.01 H new ATOM 0 HE ARG A 29 1.394 -4.103 -10.989 1.00 2.37 H new ATOM 0 HH11 ARG A 29 4.307 -2.442 -9.866 1.00 3.48 H new ATOM 0 HH12 ARG A 29 5.242 -2.868 -11.303 1.00 3.48 H new ATOM 0 HH21 ARG A 29 2.606 -4.645 -12.827 1.00 3.63 H new ATOM 0 HH22 ARG A 29 4.283 -4.109 -12.971 1.00 3.63 H new ATOM 421 N LEU A 30 2.836 -2.799 -3.739 1.00 0.95 N ATOM 422 CA LEU A 30 3.477 -1.949 -2.743 1.00 0.79 C ATOM 423 C LEU A 30 4.154 -2.808 -1.683 1.00 0.79 C ATOM 424 O LEU A 30 5.276 -2.529 -1.269 1.00 0.84 O ATOM 425 CB LEU A 30 2.472 -0.996 -2.090 1.00 0.64 C ATOM 426 CG LEU A 30 1.710 -0.083 -3.056 1.00 0.68 C ATOM 427 CD1 LEU A 30 1.084 1.078 -2.302 1.00 0.68 C ATOM 428 CD2 LEU A 30 2.631 0.432 -4.154 1.00 0.80 C ATOM 0 H LEU A 30 1.829 -2.910 -3.621 1.00 0.95 H new ATOM 0 HA LEU A 30 4.229 -1.344 -3.250 1.00 0.79 H new ATOM 0 HB2 LEU A 30 1.749 -1.587 -1.528 1.00 0.64 H new ATOM 0 HB3 LEU A 30 3.003 -0.373 -1.370 1.00 0.64 H new ATOM 0 HG LEU A 30 0.916 -0.666 -3.523 1.00 0.68 H new ATOM 0 HD11 LEU A 30 0.546 1.718 -3.001 1.00 0.68 H new ATOM 0 HD12 LEU A 30 0.390 0.694 -1.554 1.00 0.68 H new ATOM 0 HD13 LEU A 30 1.866 1.656 -1.809 1.00 0.68 H new ATOM 0 HD21 LEU A 30 2.068 1.078 -4.828 1.00 0.80 H new ATOM 0 HD22 LEU A 30 3.449 0.998 -3.707 1.00 0.80 H new ATOM 0 HD23 LEU A 30 3.036 -0.411 -4.714 1.00 0.80 H new ATOM 440 N ASN A 31 3.476 -3.875 -1.263 1.00 0.88 N ATOM 441 CA ASN A 31 4.037 -4.784 -0.270 1.00 0.96 C ATOM 442 C ASN A 31 5.442 -5.189 -0.692 1.00 1.04 C ATOM 443 O ASN A 31 6.387 -5.135 0.097 1.00 1.03 O ATOM 444 CB ASN A 31 3.153 -6.024 -0.118 1.00 1.11 C ATOM 445 CG ASN A 31 3.097 -6.523 1.313 1.00 1.45 C ATOM 446 OD1 ASN A 31 2.019 -6.760 1.858 1.00 2.08 O ATOM 447 ND2 ASN A 31 4.262 -6.683 1.930 1.00 1.99 N ATOM 0 H ASN A 31 2.545 -4.128 -1.593 1.00 0.88 H new ATOM 0 HA ASN A 31 4.081 -4.276 0.693 1.00 0.96 H new ATOM 0 HB2 ASN A 31 2.144 -5.791 -0.458 1.00 1.11 H new ATOM 0 HB3 ASN A 31 3.532 -6.818 -0.762 1.00 1.11 H new ATOM 0 HD21 ASN A 31 4.287 -7.015 2.894 1.00 1.99 H new ATOM 0 HD22 ASN A 31 5.132 -6.474 1.440 1.00 1.99 H new ATOM 454 N GLU A 32 5.572 -5.559 -1.961 1.00 1.15 N ATOM 455 CA GLU A 32 6.861 -5.936 -2.513 1.00 1.26 C ATOM 456 C GLU A 32 7.742 -4.700 -2.626 1.00 1.13 C ATOM 457 O GLU A 32 8.958 -4.771 -2.452 1.00 1.16 O ATOM 458 CB GLU A 32 6.687 -6.588 -3.886 1.00 1.45 C ATOM 459 CG GLU A 32 6.451 -8.088 -3.822 1.00 1.86 C ATOM 460 CD GLU A 32 6.857 -8.797 -5.099 1.00 2.27 C ATOM 461 OE1 GLU A 32 7.882 -8.404 -5.696 1.00 2.68 O ATOM 462 OE2 GLU A 32 6.151 -9.745 -5.502 1.00 2.90 O ATOM 0 H GLU A 32 4.798 -5.605 -2.624 1.00 1.15 H new ATOM 0 HA GLU A 32 7.335 -6.660 -1.850 1.00 1.26 H new ATOM 0 HB2 GLU A 32 5.847 -6.118 -4.398 1.00 1.45 H new ATOM 0 HB3 GLU A 32 7.576 -6.394 -4.486 1.00 1.45 H new ATOM 0 HG2 GLU A 32 7.012 -8.505 -2.985 1.00 1.86 H new ATOM 0 HG3 GLU A 32 5.396 -8.278 -3.625 1.00 1.86 H new ATOM 469 N VAL A 33 7.111 -3.558 -2.902 1.00 1.03 N ATOM 470 CA VAL A 33 7.834 -2.301 -3.018 1.00 0.96 C ATOM 471 C VAL A 33 8.534 -1.981 -1.701 1.00 0.80 C ATOM 472 O VAL A 33 9.685 -1.550 -1.691 1.00 0.81 O ATOM 473 CB VAL A 33 6.901 -1.138 -3.460 1.00 0.94 C ATOM 474 CG1 VAL A 33 6.481 -0.241 -2.296 1.00 0.86 C ATOM 475 CG2 VAL A 33 7.569 -0.313 -4.549 1.00 1.20 C ATOM 0 H VAL A 33 6.104 -3.482 -3.048 1.00 1.03 H new ATOM 0 HA VAL A 33 8.588 -2.412 -3.797 1.00 0.96 H new ATOM 0 HB VAL A 33 5.991 -1.592 -3.852 1.00 0.94 H new ATOM 0 HG11 VAL A 33 5.831 0.553 -2.664 1.00 0.86 H new ATOM 0 HG12 VAL A 33 5.945 -0.834 -1.555 1.00 0.86 H new ATOM 0 HG13 VAL A 33 7.367 0.199 -1.838 1.00 0.86 H new ATOM 0 HG21 VAL A 33 6.906 0.498 -4.850 1.00 1.20 H new ATOM 0 HG22 VAL A 33 8.502 0.103 -4.169 1.00 1.20 H new ATOM 0 HG23 VAL A 33 7.779 -0.948 -5.410 1.00 1.20 H new ATOM 485 N ALA A 34 7.842 -2.227 -0.588 1.00 0.69 N ATOM 486 CA ALA A 34 8.422 -1.990 0.725 1.00 0.60 C ATOM 487 C ALA A 34 9.562 -2.971 0.962 1.00 0.73 C ATOM 488 O ALA A 34 10.560 -2.642 1.600 1.00 0.72 O ATOM 489 CB ALA A 34 7.376 -2.118 1.823 1.00 0.56 C ATOM 0 H ALA A 34 6.888 -2.587 -0.573 1.00 0.69 H new ATOM 0 HA ALA A 34 8.808 -0.971 0.754 1.00 0.60 H new ATOM 0 HB1 ALA A 34 7.841 -1.935 2.792 1.00 0.56 H new ATOM 0 HB2 ALA A 34 6.584 -1.388 1.657 1.00 0.56 H new ATOM 0 HB3 ALA A 34 6.953 -3.122 1.807 1.00 0.56 H new ATOM 495 N LYS A 35 9.404 -4.182 0.427 1.00 0.90 N ATOM 496 CA LYS A 35 10.421 -5.219 0.561 1.00 1.06 C ATOM 497 C LYS A 35 11.733 -4.758 -0.062 1.00 1.07 C ATOM 498 O LYS A 35 12.792 -4.844 0.559 1.00 1.10 O ATOM 499 CB LYS A 35 9.951 -6.519 -0.096 1.00 1.24 C ATOM 500 CG LYS A 35 9.370 -7.521 0.888 1.00 1.46 C ATOM 501 CD LYS A 35 9.104 -8.863 0.225 1.00 1.92 C ATOM 502 CE LYS A 35 8.894 -9.963 1.253 1.00 2.38 C ATOM 503 NZ LYS A 35 9.984 -10.976 1.214 1.00 3.01 N ATOM 0 H LYS A 35 8.580 -4.467 -0.103 1.00 0.90 H new ATOM 0 HA LYS A 35 10.585 -5.406 1.622 1.00 1.06 H new ATOM 0 HB2 LYS A 35 9.199 -6.285 -0.850 1.00 1.24 H new ATOM 0 HB3 LYS A 35 10.792 -6.978 -0.616 1.00 1.24 H new ATOM 0 HG2 LYS A 35 10.060 -7.656 1.721 1.00 1.46 H new ATOM 0 HG3 LYS A 35 8.442 -7.129 1.303 1.00 1.46 H new ATOM 0 HD2 LYS A 35 8.223 -8.786 -0.412 1.00 1.92 H new ATOM 0 HD3 LYS A 35 9.943 -9.123 -0.421 1.00 1.92 H new ATOM 0 HE2 LYS A 35 8.843 -9.524 2.249 1.00 2.38 H new ATOM 0 HE3 LYS A 35 7.937 -10.452 1.071 1.00 2.38 H new ATOM 0 HZ1 LYS A 35 9.803 -11.708 1.930 1.00 3.01 H new ATOM 0 HZ2 LYS A 35 10.017 -11.414 0.271 1.00 3.01 H new ATOM 0 HZ3 LYS A 35 10.894 -10.514 1.413 1.00 3.01 H new ATOM 517 N ASN A 36 11.649 -4.248 -1.286 1.00 1.07 N ATOM 518 CA ASN A 36 12.828 -3.750 -1.984 1.00 1.12 C ATOM 519 C ASN A 36 13.396 -2.560 -1.223 1.00 0.96 C ATOM 520 O ASN A 36 14.616 -2.410 -1.077 1.00 0.99 O ATOM 521 CB ASN A 36 12.474 -3.346 -3.418 1.00 1.19 C ATOM 522 CG ASN A 36 13.368 -4.013 -4.444 1.00 1.53 C ATOM 523 OD1 ASN A 36 14.547 -4.260 -4.191 1.00 1.97 O ATOM 524 ND2 ASN A 36 12.809 -4.309 -5.612 1.00 2.13 N ATOM 0 H ASN A 36 10.780 -4.169 -1.814 1.00 1.07 H new ATOM 0 HA ASN A 36 13.577 -4.541 -2.031 1.00 1.12 H new ATOM 0 HB2 ASN A 36 11.435 -3.608 -3.620 1.00 1.19 H new ATOM 0 HB3 ASN A 36 12.555 -2.264 -3.518 1.00 1.19 H new ATOM 0 HD21 ASN A 36 13.361 -4.759 -6.342 1.00 2.13 H new ATOM 0 HD22 ASN A 36 11.828 -4.086 -5.779 1.00 2.13 H new ATOM 531 N LEU A 37 12.492 -1.734 -0.704 1.00 0.80 N ATOM 532 CA LEU A 37 12.888 -0.578 0.078 1.00 0.65 C ATOM 533 C LEU A 37 13.625 -1.059 1.316 1.00 0.66 C ATOM 534 O LEU A 37 14.711 -0.581 1.633 1.00 0.65 O ATOM 535 CB LEU A 37 11.664 0.244 0.485 1.00 0.51 C ATOM 536 CG LEU A 37 10.994 1.027 -0.646 1.00 0.60 C ATOM 537 CD1 LEU A 37 9.873 1.893 -0.096 1.00 0.47 C ATOM 538 CD2 LEU A 37 12.012 1.880 -1.389 1.00 0.79 C ATOM 0 H LEU A 37 11.484 -1.847 -0.813 1.00 0.80 H new ATOM 0 HA LEU A 37 13.538 0.059 -0.522 1.00 0.65 H new ATOM 0 HB2 LEU A 37 10.927 -0.427 0.926 1.00 0.51 H new ATOM 0 HB3 LEU A 37 11.962 0.946 1.264 1.00 0.51 H new ATOM 0 HG LEU A 37 10.569 0.314 -1.352 1.00 0.60 H new ATOM 0 HD11 LEU A 37 9.405 2.444 -0.912 1.00 0.47 H new ATOM 0 HD12 LEU A 37 9.129 1.261 0.388 1.00 0.47 H new ATOM 0 HD13 LEU A 37 10.280 2.596 0.631 1.00 0.47 H new ATOM 0 HD21 LEU A 37 11.513 2.428 -2.189 1.00 0.79 H new ATOM 0 HD22 LEU A 37 12.470 2.586 -0.696 1.00 0.79 H new ATOM 0 HD23 LEU A 37 12.783 1.238 -1.815 1.00 0.79 H new ATOM 550 N ASN A 38 13.024 -2.041 1.986 1.00 0.75 N ATOM 551 CA ASN A 38 13.602 -2.642 3.182 1.00 0.85 C ATOM 552 C ASN A 38 15.018 -3.134 2.910 1.00 0.95 C ATOM 553 O ASN A 38 15.878 -3.117 3.792 1.00 0.98 O ATOM 554 CB ASN A 38 12.738 -3.813 3.644 1.00 1.00 C ATOM 555 CG ASN A 38 12.696 -3.945 5.154 1.00 1.13 C ATOM 556 OD1 ASN A 38 11.627 -3.910 5.763 1.00 1.69 O ATOM 557 ND2 ASN A 38 13.865 -4.097 5.767 1.00 1.62 N ATOM 0 H ASN A 38 12.125 -2.440 1.714 1.00 0.75 H new ATOM 0 HA ASN A 38 13.639 -1.882 3.963 1.00 0.85 H new ATOM 0 HB2 ASN A 38 11.724 -3.683 3.266 1.00 1.00 H new ATOM 0 HB3 ASN A 38 13.123 -4.737 3.213 1.00 1.00 H new ATOM 0 HD21 ASN A 38 13.900 -4.190 6.782 1.00 1.62 H new ATOM 0 HD22 ASN A 38 14.727 -4.121 5.222 1.00 1.62 H new ATOM 564 N GLU A 39 15.254 -3.571 1.677 1.00 1.03 N ATOM 565 CA GLU A 39 16.565 -4.070 1.285 1.00 1.16 C ATOM 566 C GLU A 39 17.602 -2.965 1.411 1.00 1.06 C ATOM 567 O GLU A 39 18.592 -3.094 2.136 1.00 1.11 O ATOM 568 CB GLU A 39 16.528 -4.595 -0.151 1.00 1.28 C ATOM 569 CG GLU A 39 17.278 -5.904 -0.341 1.00 1.62 C ATOM 570 CD GLU A 39 17.229 -6.401 -1.773 1.00 2.07 C ATOM 571 OE1 GLU A 39 16.342 -5.951 -2.528 1.00 2.56 O ATOM 572 OE2 GLU A 39 18.079 -7.241 -2.139 1.00 2.62 O ATOM 0 H GLU A 39 14.555 -3.589 0.934 1.00 1.03 H new ATOM 0 HA GLU A 39 16.839 -4.890 1.948 1.00 1.16 H new ATOM 0 HB2 GLU A 39 15.489 -4.734 -0.451 1.00 1.28 H new ATOM 0 HB3 GLU A 39 16.954 -3.843 -0.815 1.00 1.28 H new ATOM 0 HG2 GLU A 39 18.318 -5.770 -0.042 1.00 1.62 H new ATOM 0 HG3 GLU A 39 16.852 -6.661 0.317 1.00 1.62 H new ATOM 579 N SER A 40 17.360 -1.863 0.721 1.00 0.94 N ATOM 580 CA SER A 40 18.276 -0.732 0.784 1.00 0.86 C ATOM 581 C SER A 40 18.522 -0.341 2.242 1.00 0.74 C ATOM 582 O SER A 40 19.605 0.132 2.607 1.00 0.74 O ATOM 583 CB SER A 40 17.713 0.453 0.005 1.00 0.80 C ATOM 584 OG SER A 40 17.289 0.060 -1.289 1.00 1.34 O ATOM 0 H SER A 40 16.549 -1.726 0.118 1.00 0.94 H new ATOM 0 HA SER A 40 19.224 -1.022 0.331 1.00 0.86 H new ATOM 0 HB2 SER A 40 16.874 0.884 0.550 1.00 0.80 H new ATOM 0 HB3 SER A 40 18.472 1.231 -0.079 1.00 0.80 H new ATOM 0 HG SER A 40 16.931 0.838 -1.766 1.00 1.34 H new ATOM 590 N LEU A 41 17.506 -0.556 3.077 1.00 0.69 N ATOM 591 CA LEU A 41 17.608 -0.238 4.493 1.00 0.66 C ATOM 592 C LEU A 41 18.537 -1.222 5.189 1.00 0.81 C ATOM 593 O LEU A 41 19.161 -0.891 6.196 1.00 0.84 O ATOM 594 CB LEU A 41 16.233 -0.229 5.160 1.00 0.66 C ATOM 595 CG LEU A 41 15.068 0.149 4.247 1.00 0.57 C ATOM 596 CD1 LEU A 41 13.818 0.439 5.062 1.00 0.72 C ATOM 597 CD2 LEU A 41 15.425 1.344 3.378 1.00 0.62 C ATOM 0 H LEU A 41 16.608 -0.948 2.795 1.00 0.69 H new ATOM 0 HA LEU A 41 18.027 0.764 4.586 1.00 0.66 H new ATOM 0 HB2 LEU A 41 16.042 -1.219 5.575 1.00 0.66 H new ATOM 0 HB3 LEU A 41 16.258 0.468 5.997 1.00 0.66 H new ATOM 0 HG LEU A 41 14.864 -0.699 3.593 1.00 0.57 H new ATOM 0 HD11 LEU A 41 13.001 0.706 4.392 1.00 0.72 H new ATOM 0 HD12 LEU A 41 13.543 -0.447 5.634 1.00 0.72 H new ATOM 0 HD13 LEU A 41 14.013 1.266 5.745 1.00 0.72 H new ATOM 0 HD21 LEU A 41 14.579 1.593 2.737 1.00 0.62 H new ATOM 0 HD22 LEU A 41 15.663 2.197 4.013 1.00 0.62 H new ATOM 0 HD23 LEU A 41 16.289 1.099 2.760 1.00 0.62 H new ATOM 609 N ILE A 42 18.670 -2.425 4.634 1.00 0.95 N ATOM 610 CA ILE A 42 19.586 -3.394 5.216 1.00 1.12 C ATOM 611 C ILE A 42 21.001 -2.872 5.020 1.00 1.08 C ATOM 612 O ILE A 42 21.885 -3.079 5.851 1.00 1.15 O ATOM 613 CB ILE A 42 19.444 -4.810 4.602 1.00 1.30 C ATOM 614 CG1 ILE A 42 20.170 -4.925 3.255 1.00 1.74 C ATOM 615 CG2 ILE A 42 17.977 -5.174 4.448 1.00 1.61 C ATOM 616 CD1 ILE A 42 21.474 -5.689 3.338 1.00 2.17 C ATOM 0 H ILE A 42 18.169 -2.743 3.805 1.00 0.95 H new ATOM 0 HA ILE A 42 19.347 -3.503 6.274 1.00 1.12 H new ATOM 0 HB ILE A 42 19.915 -5.514 5.287 1.00 1.30 H new ATOM 0 HG12 ILE A 42 19.514 -5.418 2.538 1.00 1.74 H new ATOM 0 HG13 ILE A 42 20.368 -3.924 2.871 1.00 1.74 H new ATOM 0 HG21 ILE A 42 17.893 -6.171 4.016 1.00 1.61 H new ATOM 0 HG22 ILE A 42 17.494 -5.160 5.425 1.00 1.61 H new ATOM 0 HG23 ILE A 42 17.490 -4.452 3.793 1.00 1.61 H new ATOM 0 HD11 ILE A 42 21.934 -5.732 2.351 1.00 2.17 H new ATOM 0 HD12 ILE A 42 22.148 -5.185 4.031 1.00 2.17 H new ATOM 0 HD13 ILE A 42 21.281 -6.701 3.693 1.00 2.17 H new ATOM 628 N ASP A 43 21.183 -2.152 3.913 1.00 0.99 N ATOM 629 CA ASP A 43 22.466 -1.542 3.590 1.00 0.97 C ATOM 630 C ASP A 43 22.854 -0.541 4.673 1.00 0.83 C ATOM 631 O ASP A 43 23.898 -0.675 5.312 1.00 0.87 O ATOM 632 CB ASP A 43 22.399 -0.836 2.232 1.00 0.95 C ATOM 633 CG ASP A 43 23.392 -1.402 1.235 1.00 1.15 C ATOM 634 OD1 ASP A 43 23.456 -2.642 1.100 1.00 1.80 O ATOM 635 OD2 ASP A 43 24.104 -0.605 0.589 1.00 1.51 O ATOM 0 H ASP A 43 20.452 -1.978 3.224 1.00 0.99 H new ATOM 0 HA ASP A 43 23.220 -2.328 3.539 1.00 0.97 H new ATOM 0 HB2 ASP A 43 21.391 -0.927 1.828 1.00 0.95 H new ATOM 0 HB3 ASP A 43 22.593 0.228 2.369 1.00 0.95 H new ATOM 640 N LEU A 44 21.998 0.463 4.882 1.00 0.71 N ATOM 641 CA LEU A 44 22.256 1.482 5.902 1.00 0.62 C ATOM 642 C LEU A 44 22.522 0.831 7.255 1.00 0.75 C ATOM 643 O LEU A 44 23.312 1.335 8.055 1.00 0.79 O ATOM 644 CB LEU A 44 21.081 2.458 6.008 1.00 0.65 C ATOM 645 CG LEU A 44 19.731 1.827 6.339 1.00 0.84 C ATOM 646 CD1 LEU A 44 19.656 1.456 7.814 1.00 1.06 C ATOM 647 CD2 LEU A 44 18.597 2.770 5.966 1.00 1.80 C ATOM 0 H LEU A 44 21.129 0.591 4.364 1.00 0.71 H new ATOM 0 HA LEU A 44 23.142 2.041 5.602 1.00 0.62 H new ATOM 0 HB2 LEU A 44 21.314 3.198 6.773 1.00 0.65 H new ATOM 0 HB3 LEU A 44 20.990 2.994 5.063 1.00 0.65 H new ATOM 0 HG LEU A 44 19.627 0.914 5.753 1.00 0.84 H new ATOM 0 HD11 LEU A 44 18.686 1.008 8.028 1.00 1.06 H new ATOM 0 HD12 LEU A 44 20.445 0.742 8.050 1.00 1.06 H new ATOM 0 HD13 LEU A 44 19.784 2.352 8.421 1.00 1.06 H new ATOM 0 HD21 LEU A 44 17.642 2.304 6.209 1.00 1.80 H new ATOM 0 HD22 LEU A 44 18.699 3.701 6.524 1.00 1.80 H new ATOM 0 HD23 LEU A 44 18.636 2.982 4.897 1.00 1.80 H new ATOM 659 N GLN A 45 21.870 -0.302 7.497 1.00 0.89 N ATOM 660 CA GLN A 45 22.047 -1.031 8.745 1.00 1.08 C ATOM 661 C GLN A 45 23.491 -1.497 8.880 1.00 1.16 C ATOM 662 O GLN A 45 24.068 -1.468 9.967 1.00 1.29 O ATOM 663 CB GLN A 45 21.099 -2.230 8.802 1.00 1.24 C ATOM 664 CG GLN A 45 19.819 -1.957 9.575 1.00 1.55 C ATOM 665 CD GLN A 45 19.189 -3.221 10.125 1.00 2.05 C ATOM 666 OE1 GLN A 45 19.886 -4.164 10.499 1.00 2.53 O ATOM 667 NE2 GLN A 45 17.862 -3.247 10.177 1.00 2.69 N ATOM 0 H GLN A 45 21.215 -0.734 6.845 1.00 0.89 H new ATOM 0 HA GLN A 45 21.813 -0.363 9.574 1.00 1.08 H new ATOM 0 HB2 GLN A 45 20.843 -2.529 7.786 1.00 1.24 H new ATOM 0 HB3 GLN A 45 21.618 -3.072 9.261 1.00 1.24 H new ATOM 0 HG2 GLN A 45 20.034 -1.275 10.398 1.00 1.55 H new ATOM 0 HG3 GLN A 45 19.105 -1.454 8.923 1.00 1.55 H new ATOM 0 HE21 GLN A 45 17.323 -2.443 9.856 1.00 2.69 H new ATOM 0 HE22 GLN A 45 17.382 -4.071 10.538 1.00 2.69 H new ATOM 676 N GLU A 46 24.072 -1.918 7.761 1.00 1.12 N ATOM 677 CA GLU A 46 25.453 -2.380 7.741 1.00 1.24 C ATOM 678 C GLU A 46 26.409 -1.201 7.595 1.00 1.06 C ATOM 679 O GLU A 46 27.540 -1.240 8.080 1.00 1.15 O ATOM 680 CB GLU A 46 25.667 -3.372 6.596 1.00 1.38 C ATOM 681 CG GLU A 46 27.002 -4.097 6.660 1.00 1.59 C ATOM 682 CD GLU A 46 27.337 -4.818 5.369 1.00 2.32 C ATOM 683 OE1 GLU A 46 26.403 -5.106 4.591 1.00 2.86 O ATOM 684 OE2 GLU A 46 28.532 -5.094 5.136 1.00 2.91 O ATOM 0 H GLU A 46 23.605 -1.948 6.855 1.00 1.12 H new ATOM 0 HA GLU A 46 25.659 -2.883 8.686 1.00 1.24 H new ATOM 0 HB2 GLU A 46 24.863 -4.108 6.609 1.00 1.38 H new ATOM 0 HB3 GLU A 46 25.597 -2.840 5.647 1.00 1.38 H new ATOM 0 HG2 GLU A 46 27.791 -3.379 6.886 1.00 1.59 H new ATOM 0 HG3 GLU A 46 26.982 -4.816 7.479 1.00 1.59 H new ATOM 691 N LEU A 47 25.943 -0.150 6.924 1.00 0.87 N ATOM 692 CA LEU A 47 26.752 1.046 6.717 1.00 0.75 C ATOM 693 C LEU A 47 27.189 1.639 8.052 1.00 0.77 C ATOM 694 O LEU A 47 28.289 2.177 8.175 1.00 0.84 O ATOM 695 CB LEU A 47 25.966 2.088 5.917 1.00 0.66 C ATOM 696 CG LEU A 47 25.780 1.765 4.432 1.00 0.85 C ATOM 697 CD1 LEU A 47 25.082 2.913 3.720 1.00 0.90 C ATOM 698 CD2 LEU A 47 27.121 1.469 3.779 1.00 1.12 C ATOM 0 H LEU A 47 25.010 -0.104 6.515 1.00 0.87 H new ATOM 0 HA LEU A 47 27.641 0.762 6.154 1.00 0.75 H new ATOM 0 HB2 LEU A 47 24.983 2.207 6.373 1.00 0.66 H new ATOM 0 HB3 LEU A 47 26.475 3.048 6.003 1.00 0.66 H new ATOM 0 HG LEU A 47 25.153 0.877 4.349 1.00 0.85 H new ATOM 0 HD11 LEU A 47 24.958 2.666 2.666 1.00 0.90 H new ATOM 0 HD12 LEU A 47 24.104 3.080 4.171 1.00 0.90 H new ATOM 0 HD13 LEU A 47 25.683 3.818 3.812 1.00 0.90 H new ATOM 0 HD21 LEU A 47 26.970 1.242 2.724 1.00 1.12 H new ATOM 0 HD22 LEU A 47 27.771 2.339 3.873 1.00 1.12 H new ATOM 0 HD23 LEU A 47 27.585 0.614 4.271 1.00 1.12 H new ATOM 710 N GLY A 48 26.317 1.534 9.050 1.00 0.89 N ATOM 711 CA GLY A 48 26.628 2.062 10.366 1.00 1.05 C ATOM 712 C GLY A 48 27.139 0.999 11.322 1.00 1.14 C ATOM 713 O GLY A 48 27.283 1.253 12.518 1.00 1.40 O ATOM 0 H GLY A 48 25.401 1.093 8.971 1.00 0.89 H new ATOM 0 HA2 GLY A 48 27.378 2.847 10.269 1.00 1.05 H new ATOM 0 HA3 GLY A 48 25.735 2.524 10.787 1.00 1.05 H new ATOM 717 N LYS A 49 27.411 -0.195 10.801 1.00 1.21 N ATOM 718 CA LYS A 49 27.904 -1.292 11.627 1.00 1.53 C ATOM 719 C LYS A 49 29.418 -1.434 11.509 1.00 1.56 C ATOM 720 O LYS A 49 30.159 -1.069 12.421 1.00 1.72 O ATOM 721 CB LYS A 49 27.221 -2.604 11.231 1.00 1.90 C ATOM 722 CG LYS A 49 27.671 -3.798 12.058 1.00 2.40 C ATOM 723 CD LYS A 49 28.427 -4.812 11.214 1.00 2.77 C ATOM 724 CE LYS A 49 28.122 -6.236 11.648 1.00 3.37 C ATOM 725 NZ LYS A 49 28.614 -7.237 10.660 1.00 3.87 N ATOM 0 H LYS A 49 27.299 -0.426 9.814 1.00 1.21 H new ATOM 0 HA LYS A 49 27.664 -1.064 12.665 1.00 1.53 H new ATOM 0 HB2 LYS A 49 26.142 -2.488 11.333 1.00 1.90 H new ATOM 0 HB3 LYS A 49 27.422 -2.805 10.179 1.00 1.90 H new ATOM 0 HG2 LYS A 49 28.308 -3.457 12.874 1.00 2.40 H new ATOM 0 HG3 LYS A 49 26.802 -4.276 12.510 1.00 2.40 H new ATOM 0 HD2 LYS A 49 28.160 -4.685 10.165 1.00 2.77 H new ATOM 0 HD3 LYS A 49 29.498 -4.628 11.295 1.00 2.77 H new ATOM 0 HE2 LYS A 49 28.583 -6.426 12.617 1.00 3.37 H new ATOM 0 HE3 LYS A 49 27.046 -6.353 11.778 1.00 3.37 H new ATOM 0 HZ1 LYS A 49 28.386 -8.195 10.994 1.00 3.87 H new ATOM 0 HZ2 LYS A 49 28.156 -7.072 9.741 1.00 3.87 H new ATOM 0 HZ3 LYS A 49 29.644 -7.143 10.555 1.00 3.87 H new ATOM 739 N TYR A 50 29.868 -1.972 10.383 1.00 1.75 N ATOM 740 CA TYR A 50 31.293 -2.171 10.144 1.00 2.10 C ATOM 741 C TYR A 50 31.861 -1.071 9.252 1.00 1.99 C ATOM 742 O TYR A 50 33.001 -0.641 9.430 1.00 2.12 O ATOM 743 CB TYR A 50 31.537 -3.537 9.500 1.00 2.88 C ATOM 744 CG TYR A 50 32.962 -4.025 9.631 1.00 3.47 C ATOM 745 CD1 TYR A 50 34.005 -3.356 9.002 1.00 3.92 C ATOM 746 CD2 TYR A 50 33.265 -5.154 10.381 1.00 4.11 C ATOM 747 CE1 TYR A 50 35.309 -3.798 9.117 1.00 4.69 C ATOM 748 CE2 TYR A 50 34.566 -5.603 10.501 1.00 4.85 C ATOM 749 CZ TYR A 50 35.584 -4.922 9.868 1.00 5.03 C ATOM 750 OH TYR A 50 36.882 -5.365 9.984 1.00 5.91 O ATOM 0 H TYR A 50 29.266 -2.279 9.619 1.00 1.75 H new ATOM 0 HA TYR A 50 31.802 -2.130 11.107 1.00 2.10 H new ATOM 0 HB2 TYR A 50 30.869 -4.268 9.955 1.00 2.88 H new ATOM 0 HB3 TYR A 50 31.277 -3.482 8.443 1.00 2.88 H new ATOM 0 HD1 TYR A 50 33.793 -2.476 8.413 1.00 3.92 H new ATOM 0 HD2 TYR A 50 32.470 -5.690 10.879 1.00 4.11 H new ATOM 0 HE1 TYR A 50 36.108 -3.267 8.622 1.00 4.69 H new ATOM 0 HE2 TYR A 50 34.784 -6.483 11.088 1.00 4.85 H new ATOM 0 HH TYR A 50 36.905 -6.167 10.547 1.00 5.91 H new ATOM 760 N GLU A 51 31.061 -0.622 8.290 1.00 2.14 N ATOM 761 CA GLU A 51 31.486 0.424 7.365 1.00 2.53 C ATOM 762 C GLU A 51 32.003 1.650 8.113 1.00 2.23 C ATOM 763 O GLU A 51 32.894 2.350 7.632 1.00 2.62 O ATOM 764 CB GLU A 51 30.327 0.823 6.449 1.00 3.24 C ATOM 765 CG GLU A 51 30.284 0.041 5.147 1.00 3.86 C ATOM 766 CD GLU A 51 30.991 0.757 4.012 1.00 4.47 C ATOM 767 OE1 GLU A 51 30.343 1.585 3.338 1.00 4.97 O ATOM 768 OE2 GLU A 51 32.192 0.490 3.798 1.00 4.88 O ATOM 0 H GLU A 51 30.114 -0.966 8.130 1.00 2.14 H new ATOM 0 HA GLU A 51 32.301 0.025 6.762 1.00 2.53 H new ATOM 0 HB2 GLU A 51 29.387 0.678 6.982 1.00 3.24 H new ATOM 0 HB3 GLU A 51 30.404 1.886 6.222 1.00 3.24 H new ATOM 0 HG2 GLU A 51 30.745 -0.935 5.299 1.00 3.86 H new ATOM 0 HG3 GLU A 51 29.245 -0.137 4.868 1.00 3.86 H new ATOM 775 N GLN A 52 31.441 1.906 9.290 1.00 1.94 N ATOM 776 CA GLN A 52 31.853 3.050 10.096 1.00 2.26 C ATOM 777 C GLN A 52 32.887 2.648 11.147 1.00 2.45 C ATOM 778 O GLN A 52 33.153 3.399 12.084 1.00 3.15 O ATOM 779 CB GLN A 52 30.638 3.689 10.775 1.00 2.64 C ATOM 780 CG GLN A 52 30.007 2.817 11.849 1.00 3.05 C ATOM 781 CD GLN A 52 30.018 3.473 13.216 1.00 3.69 C ATOM 782 OE1 GLN A 52 29.034 3.414 13.953 1.00 4.04 O ATOM 783 NE2 GLN A 52 31.135 4.103 13.561 1.00 4.36 N ATOM 0 H GLN A 52 30.702 1.339 9.706 1.00 1.94 H new ATOM 0 HA GLN A 52 32.314 3.778 9.428 1.00 2.26 H new ATOM 0 HB2 GLN A 52 30.939 4.637 11.220 1.00 2.64 H new ATOM 0 HB3 GLN A 52 29.888 3.917 10.018 1.00 2.64 H new ATOM 0 HG2 GLN A 52 28.979 2.589 11.568 1.00 3.05 H new ATOM 0 HG3 GLN A 52 30.541 1.868 11.901 1.00 3.05 H new ATOM 0 HE21 GLN A 52 31.927 4.127 12.918 1.00 4.36 H new ATOM 0 HE22 GLN A 52 31.201 4.563 14.469 1.00 4.36 H new ATOM 792 N TYR A 53 33.472 1.464 10.983 1.00 2.21 N ATOM 793 CA TYR A 53 34.479 0.976 11.919 1.00 2.82 C ATOM 794 C TYR A 53 35.673 1.926 11.974 1.00 2.86 C ATOM 795 O TYR A 53 36.401 1.969 12.966 1.00 3.68 O ATOM 796 CB TYR A 53 34.944 -0.425 11.518 1.00 3.17 C ATOM 797 CG TYR A 53 35.806 -1.099 12.561 1.00 3.86 C ATOM 798 CD1 TYR A 53 37.175 -0.872 12.611 1.00 4.49 C ATOM 799 CD2 TYR A 53 35.249 -1.962 13.496 1.00 4.40 C ATOM 800 CE1 TYR A 53 37.966 -1.486 13.564 1.00 5.38 C ATOM 801 CE2 TYR A 53 36.033 -2.580 14.452 1.00 5.30 C ATOM 802 CZ TYR A 53 37.390 -2.338 14.482 1.00 5.69 C ATOM 803 OH TYR A 53 38.174 -2.951 15.432 1.00 6.72 O ATOM 0 H TYR A 53 33.266 0.827 10.213 1.00 2.21 H new ATOM 0 HA TYR A 53 34.027 0.929 12.910 1.00 2.82 H new ATOM 0 HB2 TYR A 53 34.070 -1.047 11.324 1.00 3.17 H new ATOM 0 HB3 TYR A 53 35.502 -0.360 10.584 1.00 3.17 H new ATOM 0 HD1 TYR A 53 37.629 -0.205 11.893 1.00 4.49 H new ATOM 0 HD2 TYR A 53 34.186 -2.153 13.476 1.00 4.40 H new ATOM 0 HE1 TYR A 53 39.029 -1.299 13.589 1.00 5.38 H new ATOM 0 HE2 TYR A 53 35.585 -3.249 15.172 1.00 5.30 H new ATOM 0 HH TYR A 53 37.614 -3.518 16.002 1.00 6.72 H new ATOM 813 N ILE A 54 35.864 2.688 10.901 1.00 2.38 N ATOM 814 CA ILE A 54 36.966 3.643 10.823 1.00 2.89 C ATOM 815 C ILE A 54 36.726 4.831 11.746 1.00 3.84 C ATOM 816 O ILE A 54 35.652 5.431 11.736 1.00 4.05 O ATOM 817 CB ILE A 54 37.173 4.159 9.382 1.00 2.81 C ATOM 818 CG1 ILE A 54 35.828 4.468 8.719 1.00 3.38 C ATOM 819 CG2 ILE A 54 37.951 3.141 8.562 1.00 3.37 C ATOM 820 CD1 ILE A 54 35.953 5.258 7.437 1.00 4.06 C ATOM 0 H ILE A 54 35.270 2.663 10.072 1.00 2.38 H new ATOM 0 HA ILE A 54 37.864 3.112 11.139 1.00 2.89 H new ATOM 0 HB ILE A 54 37.750 5.082 9.427 1.00 2.81 H new ATOM 0 HG12 ILE A 54 35.312 3.531 8.510 1.00 3.38 H new ATOM 0 HG13 ILE A 54 35.206 5.025 9.420 1.00 3.38 H new ATOM 0 HG21 ILE A 54 38.089 3.519 7.549 1.00 3.37 H new ATOM 0 HG22 ILE A 54 38.925 2.971 9.022 1.00 3.37 H new ATOM 0 HG23 ILE A 54 37.398 2.203 8.527 1.00 3.37 H new ATOM 0 HD11 ILE A 54 34.961 5.440 7.024 1.00 4.06 H new ATOM 0 HD12 ILE A 54 36.441 6.211 7.643 1.00 4.06 H new ATOM 0 HD13 ILE A 54 36.548 4.694 6.719 1.00 4.06 H new ATOM 832 N LYS A 55 37.734 5.166 12.545 1.00 4.76 N ATOM 833 CA LYS A 55 37.632 6.283 13.477 1.00 5.93 C ATOM 834 C LYS A 55 38.988 6.954 13.673 1.00 6.65 C ATOM 835 O LYS A 55 39.146 7.684 14.674 1.00 7.05 O ATOM 836 CB LYS A 55 37.084 5.807 14.825 1.00 6.51 C ATOM 837 CG LYS A 55 37.644 4.467 15.274 1.00 7.03 C ATOM 838 CD LYS A 55 39.078 4.596 15.765 1.00 7.81 C ATOM 839 CE LYS A 55 40.067 4.060 14.743 1.00 8.52 C ATOM 840 NZ LYS A 55 39.753 2.659 14.347 1.00 9.19 N ATOM 841 OXT LYS A 55 39.880 6.742 12.825 1.00 7.09 O ATOM 0 H LYS A 55 38.631 4.680 12.566 1.00 4.76 H new ATOM 0 HA LYS A 55 36.943 7.013 13.053 1.00 5.93 H new ATOM 0 HB2 LYS A 55 37.308 6.557 15.584 1.00 6.51 H new ATOM 0 HB3 LYS A 55 35.998 5.734 14.760 1.00 6.51 H new ATOM 0 HG2 LYS A 55 37.021 4.060 16.071 1.00 7.03 H new ATOM 0 HG3 LYS A 55 37.605 3.759 14.446 1.00 7.03 H new ATOM 0 HD2 LYS A 55 39.300 5.643 15.973 1.00 7.81 H new ATOM 0 HD3 LYS A 55 39.193 4.053 16.703 1.00 7.81 H new ATOM 0 HE2 LYS A 55 40.057 4.698 13.859 1.00 8.52 H new ATOM 0 HE3 LYS A 55 41.075 4.103 15.156 1.00 8.52 H new ATOM 0 HZ1 LYS A 55 40.637 2.145 14.158 1.00 9.19 H new ATOM 0 HZ2 LYS A 55 39.236 2.188 15.117 1.00 9.19 H new ATOM 0 HZ3 LYS A 55 39.166 2.664 13.489 1.00 9.19 H new TER 855 LYS A 55 ATOM 856 N GLY B 1 -50.734 -13.702 -11.406 1.00 12.26 N ATOM 857 CA GLY B 1 -49.763 -14.720 -11.895 1.00 11.80 C ATOM 858 C GLY B 1 -49.244 -14.407 -13.284 1.00 11.17 C ATOM 859 O GLY B 1 -49.881 -14.745 -14.282 1.00 11.38 O ATOM 0 H1 GLY B 1 -51.059 -13.962 -10.453 1.00 12.26 H new ATOM 0 H2 GLY B 1 -50.273 -12.770 -11.373 1.00 12.26 H new ATOM 0 H3 GLY B 1 -51.549 -13.662 -12.051 1.00 12.26 H new ATOM 0 HA2 GLY B 1 -48.924 -14.779 -11.202 1.00 11.80 H new ATOM 0 HA3 GLY B 1 -50.241 -15.700 -11.901 1.00 11.80 H new ATOM 865 N SER B 2 -48.086 -13.759 -13.349 1.00 10.59 N ATOM 866 CA SER B 2 -47.482 -13.400 -14.627 1.00 10.15 C ATOM 867 C SER B 2 -46.104 -12.779 -14.422 1.00 9.08 C ATOM 868 O SER B 2 -45.081 -13.417 -14.672 1.00 8.94 O ATOM 869 CB SER B 2 -48.386 -12.427 -15.387 1.00 10.75 C ATOM 870 OG SER B 2 -47.682 -11.794 -16.442 1.00 11.21 O ATOM 0 H SER B 2 -47.547 -13.472 -12.532 1.00 10.59 H new ATOM 0 HA SER B 2 -47.366 -14.311 -15.215 1.00 10.15 H new ATOM 0 HB2 SER B 2 -49.245 -12.963 -15.790 1.00 10.75 H new ATOM 0 HB3 SER B 2 -48.773 -11.674 -14.701 1.00 10.75 H new ATOM 0 HG SER B 2 -47.268 -10.970 -16.111 1.00 11.21 H new ATOM 876 N HIS B 3 -46.085 -11.531 -13.966 1.00 8.51 N ATOM 877 CA HIS B 3 -44.832 -10.823 -13.727 1.00 7.59 C ATOM 878 C HIS B 3 -44.325 -11.081 -12.312 1.00 7.15 C ATOM 879 O HIS B 3 -44.640 -10.336 -11.384 1.00 7.37 O ATOM 880 CB HIS B 3 -45.020 -9.322 -13.950 1.00 7.63 C ATOM 881 CG HIS B 3 -45.560 -8.980 -15.304 1.00 7.69 C ATOM 882 ND1 HIS B 3 -45.203 -9.660 -16.450 1.00 7.92 N ATOM 883 CD2 HIS B 3 -46.437 -8.025 -15.694 1.00 7.88 C ATOM 884 CE1 HIS B 3 -45.836 -9.137 -17.485 1.00 8.21 C ATOM 885 NE2 HIS B 3 -46.591 -8.144 -17.053 1.00 8.20 N ATOM 0 H HIS B 3 -46.923 -10.989 -13.754 1.00 8.51 H new ATOM 0 HA HIS B 3 -44.090 -11.197 -14.433 1.00 7.59 H new ATOM 0 HB2 HIS B 3 -45.696 -8.932 -13.189 1.00 7.63 H new ATOM 0 HB3 HIS B 3 -44.062 -8.820 -13.813 1.00 7.63 H new ATOM 0 HD2 HIS B 3 -46.925 -7.304 -15.055 1.00 7.88 H new ATOM 0 HE1 HIS B 3 -45.750 -9.466 -18.510 1.00 8.21 H new ATOM 0 HE2 HIS B 3 -47.192 -7.560 -17.635 1.00 8.20 H new ATOM 894 N THR B 4 -43.540 -12.141 -12.155 1.00 6.72 N ATOM 895 CA THR B 4 -42.989 -12.498 -10.853 1.00 6.39 C ATOM 896 C THR B 4 -41.523 -12.091 -10.751 1.00 5.36 C ATOM 897 O THR B 4 -40.853 -11.890 -11.764 1.00 5.23 O ATOM 898 CB THR B 4 -43.130 -14.001 -10.611 1.00 7.08 C ATOM 899 OG1 THR B 4 -44.398 -14.462 -11.041 1.00 7.48 O ATOM 900 CG2 THR B 4 -42.967 -14.391 -9.158 1.00 7.67 C ATOM 0 H THR B 4 -43.271 -12.768 -12.913 1.00 6.72 H new ATOM 0 HA THR B 4 -43.551 -11.959 -10.090 1.00 6.39 H new ATOM 0 HB THR B 4 -42.327 -14.462 -11.186 1.00 7.08 H new ATOM 0 HG1 THR B 4 -44.505 -15.404 -10.792 1.00 7.48 H new ATOM 0 HG21 THR B 4 -43.079 -15.470 -9.056 1.00 7.67 H new ATOM 0 HG22 THR B 4 -41.977 -14.094 -8.810 1.00 7.67 H new ATOM 0 HG23 THR B 4 -43.727 -13.890 -8.559 1.00 7.67 H new ATOM 908 N SER B 5 -41.031 -11.971 -9.523 1.00 4.84 N ATOM 909 CA SER B 5 -39.643 -11.589 -9.290 1.00 3.89 C ATOM 910 C SER B 5 -38.950 -12.587 -8.364 1.00 3.63 C ATOM 911 O SER B 5 -39.537 -13.046 -7.384 1.00 3.91 O ATOM 912 CB SER B 5 -39.574 -10.185 -8.687 1.00 3.77 C ATOM 913 OG SER B 5 -39.826 -10.215 -7.293 1.00 4.47 O ATOM 0 H SER B 5 -41.572 -12.133 -8.674 1.00 4.84 H new ATOM 0 HA SER B 5 -39.126 -11.592 -10.250 1.00 3.89 H new ATOM 0 HB2 SER B 5 -38.590 -9.754 -8.873 1.00 3.77 H new ATOM 0 HB3 SER B 5 -40.302 -9.539 -9.177 1.00 3.77 H new ATOM 0 HG SER B 5 -39.774 -9.306 -6.932 1.00 4.47 H new ATOM 919 N PRO B 6 -37.686 -12.938 -8.663 1.00 3.34 N ATOM 920 CA PRO B 6 -36.918 -13.886 -7.851 1.00 3.39 C ATOM 921 C PRO B 6 -36.441 -13.268 -6.541 1.00 3.24 C ATOM 922 O PRO B 6 -36.920 -12.211 -6.132 1.00 3.22 O ATOM 923 CB PRO B 6 -35.727 -14.226 -8.749 1.00 3.44 C ATOM 924 CG PRO B 6 -35.534 -13.012 -9.588 1.00 3.39 C ATOM 925 CD PRO B 6 -36.908 -12.439 -9.814 1.00 3.29 C ATOM 0 HA PRO B 6 -37.510 -14.752 -7.557 1.00 3.39 H new ATOM 0 HB2 PRO B 6 -34.837 -14.447 -8.160 1.00 3.44 H new ATOM 0 HB3 PRO B 6 -35.930 -15.104 -9.362 1.00 3.44 H new ATOM 0 HG2 PRO B 6 -34.888 -12.291 -9.087 1.00 3.39 H new ATOM 0 HG3 PRO B 6 -35.056 -13.264 -10.535 1.00 3.39 H new ATOM 0 HD2 PRO B 6 -36.888 -11.350 -9.843 1.00 3.29 H new ATOM 0 HD3 PRO B 6 -37.332 -12.775 -10.760 1.00 3.29 H new ATOM 933 N ASP B 7 -35.493 -13.932 -5.887 1.00 3.41 N ATOM 934 CA ASP B 7 -34.952 -13.443 -4.625 1.00 3.53 C ATOM 935 C ASP B 7 -33.799 -12.479 -4.876 1.00 3.08 C ATOM 936 O ASP B 7 -32.737 -12.876 -5.357 1.00 3.35 O ATOM 937 CB ASP B 7 -34.477 -14.612 -3.760 1.00 4.24 C ATOM 938 CG ASP B 7 -35.626 -15.350 -3.103 1.00 4.73 C ATOM 939 OD1 ASP B 7 -36.700 -14.738 -2.925 1.00 5.05 O ATOM 940 OD2 ASP B 7 -35.453 -16.540 -2.766 1.00 5.18 O ATOM 0 H ASP B 7 -35.084 -14.809 -6.210 1.00 3.41 H new ATOM 0 HA ASP B 7 -35.743 -12.912 -4.096 1.00 3.53 H new ATOM 0 HB2 ASP B 7 -33.907 -15.308 -4.376 1.00 4.24 H new ATOM 0 HB3 ASP B 7 -33.801 -14.240 -2.990 1.00 4.24 H new ATOM 945 N VAL B 8 -34.016 -11.208 -4.555 1.00 2.60 N ATOM 946 CA VAL B 8 -32.995 -10.188 -4.755 1.00 2.23 C ATOM 947 C VAL B 8 -32.125 -10.023 -3.512 1.00 2.23 C ATOM 948 O VAL B 8 -32.441 -9.242 -2.615 1.00 2.32 O ATOM 949 CB VAL B 8 -33.628 -8.829 -5.121 1.00 1.98 C ATOM 950 CG1 VAL B 8 -34.558 -8.349 -4.016 1.00 2.80 C ATOM 951 CG2 VAL B 8 -32.550 -7.794 -5.411 1.00 2.36 C ATOM 0 H VAL B 8 -34.888 -10.861 -4.156 1.00 2.60 H new ATOM 0 HA VAL B 8 -32.369 -10.522 -5.582 1.00 2.23 H new ATOM 0 HB VAL B 8 -34.222 -8.963 -6.025 1.00 1.98 H new ATOM 0 HG11 VAL B 8 -34.992 -7.389 -4.297 1.00 2.80 H new ATOM 0 HG12 VAL B 8 -35.355 -9.078 -3.868 1.00 2.80 H new ATOM 0 HG13 VAL B 8 -33.994 -8.235 -3.090 1.00 2.80 H new ATOM 0 HG21 VAL B 8 -33.018 -6.843 -5.667 1.00 2.36 H new ATOM 0 HG22 VAL B 8 -31.923 -7.664 -4.529 1.00 2.36 H new ATOM 0 HG23 VAL B 8 -31.936 -8.132 -6.246 1.00 2.36 H new ATOM 961 N ASP B 9 -31.021 -10.761 -3.472 1.00 2.32 N ATOM 962 CA ASP B 9 -30.096 -10.694 -2.347 1.00 2.39 C ATOM 963 C ASP B 9 -28.975 -9.703 -2.640 1.00 1.87 C ATOM 964 O ASP B 9 -28.008 -10.033 -3.323 1.00 1.64 O ATOM 965 CB ASP B 9 -29.510 -12.076 -2.054 1.00 2.89 C ATOM 966 CG ASP B 9 -30.567 -13.071 -1.616 1.00 3.42 C ATOM 967 OD1 ASP B 9 -31.175 -12.858 -0.546 1.00 3.76 O ATOM 968 OD2 ASP B 9 -30.786 -14.064 -2.342 1.00 3.95 O ATOM 0 H ASP B 9 -30.745 -11.413 -4.206 1.00 2.32 H new ATOM 0 HA ASP B 9 -30.646 -10.354 -1.470 1.00 2.39 H new ATOM 0 HB2 ASP B 9 -29.009 -12.452 -2.946 1.00 2.89 H new ATOM 0 HB3 ASP B 9 -28.752 -11.989 -1.275 1.00 2.89 H new ATOM 973 N LEU B 10 -29.115 -8.488 -2.125 1.00 1.87 N ATOM 974 CA LEU B 10 -28.115 -7.450 -2.343 1.00 1.57 C ATOM 975 C LEU B 10 -26.905 -7.656 -1.439 1.00 1.50 C ATOM 976 O LEU B 10 -25.779 -7.320 -1.806 1.00 1.41 O ATOM 977 CB LEU B 10 -28.724 -6.070 -2.094 1.00 1.94 C ATOM 978 CG LEU B 10 -29.369 -5.888 -0.716 1.00 2.78 C ATOM 979 CD1 LEU B 10 -28.480 -5.043 0.184 1.00 3.41 C ATOM 980 CD2 LEU B 10 -30.748 -5.258 -0.850 1.00 3.40 C ATOM 0 H LEU B 10 -29.909 -8.197 -1.555 1.00 1.87 H new ATOM 0 HA LEU B 10 -27.782 -7.513 -3.379 1.00 1.57 H new ATOM 0 HB2 LEU B 10 -27.945 -5.318 -2.216 1.00 1.94 H new ATOM 0 HB3 LEU B 10 -29.476 -5.877 -2.859 1.00 1.94 H new ATOM 0 HG LEU B 10 -29.484 -6.871 -0.259 1.00 2.78 H new ATOM 0 HD11 LEU B 10 -28.955 -4.925 1.158 1.00 3.41 H new ATOM 0 HD12 LEU B 10 -27.515 -5.535 0.308 1.00 3.41 H new ATOM 0 HD13 LEU B 10 -28.332 -4.062 -0.268 1.00 3.41 H new ATOM 0 HD21 LEU B 10 -31.190 -5.137 0.139 1.00 3.40 H new ATOM 0 HD22 LEU B 10 -30.658 -4.283 -1.329 1.00 3.40 H new ATOM 0 HD23 LEU B 10 -31.385 -5.902 -1.456 1.00 3.40 H new ATOM 992 N GLY B 11 -27.143 -8.213 -0.258 1.00 1.75 N ATOM 993 CA GLY B 11 -26.060 -8.457 0.677 1.00 1.79 C ATOM 994 C GLY B 11 -25.286 -9.723 0.355 1.00 1.62 C ATOM 995 O GLY B 11 -24.207 -9.951 0.901 1.00 1.80 O ATOM 0 H GLY B 11 -28.065 -8.500 0.069 1.00 1.75 H new ATOM 0 HA2 GLY B 11 -25.378 -7.606 0.668 1.00 1.79 H new ATOM 0 HA3 GLY B 11 -26.465 -8.530 1.686 1.00 1.79 H new ATOM 999 N ASP B 12 -25.838 -10.551 -0.529 1.00 1.60 N ATOM 1000 CA ASP B 12 -25.190 -11.799 -0.914 1.00 1.77 C ATOM 1001 C ASP B 12 -24.545 -11.686 -2.293 1.00 1.63 C ATOM 1002 O ASP B 12 -23.415 -12.130 -2.497 1.00 1.88 O ATOM 1003 CB ASP B 12 -26.203 -12.945 -0.906 1.00 2.20 C ATOM 1004 CG ASP B 12 -26.869 -13.118 0.445 1.00 2.76 C ATOM 1005 OD1 ASP B 12 -26.240 -12.769 1.466 1.00 3.34 O ATOM 1006 OD2 ASP B 12 -28.019 -13.603 0.482 1.00 3.14 O ATOM 0 H ASP B 12 -26.731 -10.379 -0.991 1.00 1.60 H new ATOM 0 HA ASP B 12 -24.405 -12.006 -0.187 1.00 1.77 H new ATOM 0 HB2 ASP B 12 -26.965 -12.758 -1.662 1.00 2.20 H new ATOM 0 HB3 ASP B 12 -25.701 -13.872 -1.182 1.00 2.20 H new ATOM 1011 N ILE B 13 -25.270 -11.094 -3.239 1.00 1.35 N ATOM 1012 CA ILE B 13 -24.762 -10.933 -4.599 1.00 1.28 C ATOM 1013 C ILE B 13 -23.436 -10.181 -4.612 1.00 1.16 C ATOM 1014 O ILE B 13 -22.577 -10.435 -5.456 1.00 1.31 O ATOM 1015 CB ILE B 13 -25.767 -10.188 -5.499 1.00 1.19 C ATOM 1016 CG1 ILE B 13 -26.073 -8.797 -4.934 1.00 1.21 C ATOM 1017 CG2 ILE B 13 -27.043 -11.001 -5.655 1.00 1.83 C ATOM 1018 CD1 ILE B 13 -25.532 -7.668 -5.784 1.00 1.53 C ATOM 0 H ILE B 13 -26.207 -10.719 -3.090 1.00 1.35 H new ATOM 0 HA ILE B 13 -24.611 -11.938 -4.992 1.00 1.28 H new ATOM 0 HB ILE B 13 -25.319 -10.060 -6.484 1.00 1.19 H new ATOM 0 HG12 ILE B 13 -27.153 -8.683 -4.836 1.00 1.21 H new ATOM 0 HG13 ILE B 13 -25.652 -8.720 -3.931 1.00 1.21 H new ATOM 0 HG21 ILE B 13 -27.743 -10.461 -6.293 1.00 1.83 H new ATOM 0 HG22 ILE B 13 -26.808 -11.964 -6.108 1.00 1.83 H new ATOM 0 HG23 ILE B 13 -27.494 -11.161 -4.676 1.00 1.83 H new ATOM 0 HD11 ILE B 13 -25.785 -6.713 -5.324 1.00 1.53 H new ATOM 0 HD12 ILE B 13 -24.448 -7.758 -5.861 1.00 1.53 H new ATOM 0 HD13 ILE B 13 -25.972 -7.719 -6.780 1.00 1.53 H new ATOM 1030 N SER B 14 -23.274 -9.257 -3.672 1.00 1.01 N ATOM 1031 CA SER B 14 -22.049 -8.474 -3.580 1.00 0.99 C ATOM 1032 C SER B 14 -20.884 -9.349 -3.133 1.00 1.11 C ATOM 1033 O SER B 14 -20.043 -9.743 -3.941 1.00 1.23 O ATOM 1034 CB SER B 14 -22.236 -7.309 -2.604 1.00 1.00 C ATOM 1035 OG SER B 14 -22.662 -6.139 -3.281 1.00 1.57 O ATOM 0 H SER B 14 -23.974 -9.033 -2.965 1.00 1.01 H new ATOM 0 HA SER B 14 -21.823 -8.074 -4.568 1.00 0.99 H new ATOM 0 HB2 SER B 14 -22.969 -7.581 -1.845 1.00 1.00 H new ATOM 0 HB3 SER B 14 -21.298 -7.111 -2.085 1.00 1.00 H new ATOM 0 HG SER B 14 -22.776 -5.411 -2.635 1.00 1.57 H new ATOM 1041 N GLY B 15 -20.845 -9.649 -1.841 1.00 1.17 N ATOM 1042 CA GLY B 15 -19.784 -10.478 -1.297 1.00 1.34 C ATOM 1043 C GLY B 15 -18.434 -9.781 -1.284 1.00 1.28 C ATOM 1044 O GLY B 15 -17.420 -10.393 -0.949 1.00 1.43 O ATOM 0 H GLY B 15 -21.532 -9.332 -1.157 1.00 1.17 H new ATOM 0 HA2 GLY B 15 -20.045 -10.772 -0.280 1.00 1.34 H new ATOM 0 HA3 GLY B 15 -19.709 -11.393 -1.884 1.00 1.34 H new ATOM 1048 N ILE B 16 -18.417 -8.501 -1.647 1.00 1.10 N ATOM 1049 CA ILE B 16 -17.179 -7.732 -1.671 1.00 1.09 C ATOM 1050 C ILE B 16 -16.992 -6.931 -0.386 1.00 1.05 C ATOM 1051 O ILE B 16 -15.886 -6.490 -0.077 1.00 1.02 O ATOM 1052 CB ILE B 16 -17.131 -6.773 -2.876 1.00 1.11 C ATOM 1053 CG1 ILE B 16 -18.303 -5.789 -2.829 1.00 1.25 C ATOM 1054 CG2 ILE B 16 -17.145 -7.560 -4.177 1.00 1.62 C ATOM 1055 CD1 ILE B 16 -17.967 -4.479 -2.152 1.00 2.04 C ATOM 0 H ILE B 16 -19.246 -7.977 -1.928 1.00 1.10 H new ATOM 0 HA ILE B 16 -16.368 -8.455 -1.760 1.00 1.09 H new ATOM 0 HB ILE B 16 -16.204 -6.201 -2.827 1.00 1.11 H new ATOM 0 HG12 ILE B 16 -18.638 -5.587 -3.846 1.00 1.25 H new ATOM 0 HG13 ILE B 16 -19.137 -6.255 -2.305 1.00 1.25 H new ATOM 0 HG21 ILE B 16 -17.111 -6.870 -5.020 1.00 1.62 H new ATOM 0 HG22 ILE B 16 -16.278 -8.220 -4.213 1.00 1.62 H new ATOM 0 HG23 ILE B 16 -18.056 -8.155 -4.232 1.00 1.62 H new ATOM 0 HD11 ILE B 16 -18.844 -3.832 -2.156 1.00 2.04 H new ATOM 0 HD12 ILE B 16 -17.661 -4.669 -1.123 1.00 2.04 H new ATOM 0 HD13 ILE B 16 -17.154 -3.990 -2.688 1.00 2.04 H new ATOM 1067 N ASN B 17 -18.078 -6.744 0.364 1.00 1.12 N ATOM 1068 CA ASN B 17 -18.022 -5.994 1.616 1.00 1.23 C ATOM 1069 C ASN B 17 -16.868 -6.478 2.489 1.00 1.31 C ATOM 1070 O ASN B 17 -16.069 -5.680 2.978 1.00 1.33 O ATOM 1071 CB ASN B 17 -19.343 -6.128 2.375 1.00 1.42 C ATOM 1072 CG ASN B 17 -19.368 -5.295 3.642 1.00 1.89 C ATOM 1073 OD1 ASN B 17 -18.661 -4.294 3.754 1.00 2.49 O ATOM 1074 ND2 ASN B 17 -20.184 -5.707 4.605 1.00 2.58 N ATOM 0 H ASN B 17 -19.004 -7.101 0.126 1.00 1.12 H new ATOM 0 HA ASN B 17 -17.855 -4.944 1.375 1.00 1.23 H new ATOM 0 HB2 ASN B 17 -20.164 -5.823 1.726 1.00 1.42 H new ATOM 0 HB3 ASN B 17 -19.509 -7.175 2.628 1.00 1.42 H new ATOM 0 HD21 ASN B 17 -20.243 -5.187 5.481 1.00 2.58 H new ATOM 0 HD22 ASN B 17 -20.752 -6.543 4.469 1.00 2.58 H new ATOM 1081 N ALA B 18 -16.784 -7.792 2.672 1.00 1.41 N ATOM 1082 CA ALA B 18 -15.723 -8.382 3.477 1.00 1.55 C ATOM 1083 C ALA B 18 -14.359 -8.101 2.860 1.00 1.42 C ATOM 1084 O ALA B 18 -13.358 -7.978 3.566 1.00 1.49 O ATOM 1085 CB ALA B 18 -15.942 -9.881 3.623 1.00 1.73 C ATOM 0 H ALA B 18 -17.437 -8.467 2.274 1.00 1.41 H new ATOM 0 HA ALA B 18 -15.750 -7.928 4.467 1.00 1.55 H new ATOM 0 HB1 ALA B 18 -15.142 -10.309 4.227 1.00 1.73 H new ATOM 0 HB2 ALA B 18 -16.900 -10.063 4.109 1.00 1.73 H new ATOM 0 HB3 ALA B 18 -15.941 -10.347 2.637 1.00 1.73 H new ATOM 1091 N SER B 19 -14.327 -7.997 1.534 1.00 1.26 N ATOM 1092 CA SER B 19 -13.088 -7.725 0.817 1.00 1.16 C ATOM 1093 C SER B 19 -12.653 -6.278 1.024 1.00 1.01 C ATOM 1094 O SER B 19 -11.469 -5.997 1.209 1.00 1.02 O ATOM 1095 CB SER B 19 -13.263 -8.010 -0.676 1.00 1.12 C ATOM 1096 OG SER B 19 -13.452 -9.394 -0.913 1.00 1.75 O ATOM 0 H SER B 19 -15.147 -8.097 0.935 1.00 1.26 H new ATOM 0 HA SER B 19 -12.313 -8.381 1.214 1.00 1.16 H new ATOM 0 HB2 SER B 19 -14.118 -7.453 -1.058 1.00 1.12 H new ATOM 0 HB3 SER B 19 -12.386 -7.661 -1.221 1.00 1.12 H new ATOM 0 HG SER B 19 -13.563 -9.549 -1.874 1.00 1.75 H new ATOM 1102 N VAL B 20 -13.619 -5.364 0.995 1.00 0.94 N ATOM 1103 CA VAL B 20 -13.336 -3.946 1.184 1.00 0.91 C ATOM 1104 C VAL B 20 -12.627 -3.706 2.511 1.00 1.04 C ATOM 1105 O VAL B 20 -11.602 -3.026 2.566 1.00 1.01 O ATOM 1106 CB VAL B 20 -14.624 -3.102 1.145 1.00 0.98 C ATOM 1107 CG1 VAL B 20 -14.291 -1.619 1.091 1.00 1.66 C ATOM 1108 CG2 VAL B 20 -15.491 -3.504 -0.039 1.00 1.51 C ATOM 0 H VAL B 20 -14.604 -5.581 0.842 1.00 0.94 H new ATOM 0 HA VAL B 20 -12.688 -3.640 0.363 1.00 0.91 H new ATOM 0 HB VAL B 20 -15.187 -3.291 2.059 1.00 0.98 H new ATOM 0 HG11 VAL B 20 -15.214 -1.040 1.064 1.00 1.66 H new ATOM 0 HG12 VAL B 20 -13.715 -1.343 1.974 1.00 1.66 H new ATOM 0 HG13 VAL B 20 -13.705 -1.410 0.196 1.00 1.66 H new ATOM 0 HG21 VAL B 20 -16.396 -2.897 -0.050 1.00 1.51 H new ATOM 0 HG22 VAL B 20 -14.938 -3.347 -0.965 1.00 1.51 H new ATOM 0 HG23 VAL B 20 -15.761 -4.556 0.048 1.00 1.51 H new ATOM 1118 N VAL B 21 -13.176 -4.274 3.579 1.00 1.22 N ATOM 1119 CA VAL B 21 -12.590 -4.127 4.905 1.00 1.41 C ATOM 1120 C VAL B 21 -11.202 -4.756 4.950 1.00 1.41 C ATOM 1121 O VAL B 21 -10.275 -4.200 5.539 1.00 1.46 O ATOM 1122 CB VAL B 21 -13.473 -4.776 5.988 1.00 1.63 C ATOM 1123 CG1 VAL B 21 -12.923 -4.480 7.375 1.00 2.19 C ATOM 1124 CG2 VAL B 21 -14.912 -4.295 5.865 1.00 2.13 C ATOM 0 H VAL B 21 -14.025 -4.839 3.552 1.00 1.22 H new ATOM 0 HA VAL B 21 -12.516 -3.059 5.108 1.00 1.41 H new ATOM 0 HB VAL B 21 -13.461 -5.856 5.840 1.00 1.63 H new ATOM 0 HG11 VAL B 21 -13.560 -4.947 8.126 1.00 2.19 H new ATOM 0 HG12 VAL B 21 -11.912 -4.879 7.458 1.00 2.19 H new ATOM 0 HG13 VAL B 21 -12.902 -3.402 7.536 1.00 2.19 H new ATOM 0 HG21 VAL B 21 -15.520 -4.764 6.638 1.00 2.13 H new ATOM 0 HG22 VAL B 21 -14.945 -3.212 5.985 1.00 2.13 H new ATOM 0 HG23 VAL B 21 -15.303 -4.564 4.884 1.00 2.13 H new ATOM 1134 N ASN B 22 -11.068 -5.918 4.319 1.00 1.39 N ATOM 1135 CA ASN B 22 -9.795 -6.628 4.280 1.00 1.45 C ATOM 1136 C ASN B 22 -8.727 -5.793 3.581 1.00 1.26 C ATOM 1137 O ASN B 22 -7.635 -5.595 4.113 1.00 1.30 O ATOM 1138 CB ASN B 22 -9.955 -7.969 3.565 1.00 1.54 C ATOM 1139 CG ASN B 22 -10.611 -9.018 4.441 1.00 1.94 C ATOM 1140 OD1 ASN B 22 -11.469 -8.706 5.267 1.00 2.45 O ATOM 1141 ND2 ASN B 22 -10.209 -10.271 4.264 1.00 2.37 N ATOM 0 H ASN B 22 -11.827 -6.389 3.827 1.00 1.39 H new ATOM 0 HA ASN B 22 -9.478 -6.807 5.307 1.00 1.45 H new ATOM 0 HB2 ASN B 22 -10.552 -7.828 2.664 1.00 1.54 H new ATOM 0 HB3 ASN B 22 -8.976 -8.327 3.246 1.00 1.54 H new ATOM 0 HD21 ASN B 22 -10.614 -11.021 4.824 1.00 2.37 H new ATOM 0 HD22 ASN B 22 -9.495 -10.484 3.568 1.00 2.37 H new ATOM 1148 N ILE B 23 -9.048 -5.306 2.386 1.00 1.07 N ATOM 1149 CA ILE B 23 -8.110 -4.494 1.622 1.00 0.89 C ATOM 1150 C ILE B 23 -7.747 -3.228 2.389 1.00 0.88 C ATOM 1151 O ILE B 23 -6.609 -2.761 2.333 1.00 0.82 O ATOM 1152 CB ILE B 23 -8.680 -4.113 0.238 1.00 0.73 C ATOM 1153 CG1 ILE B 23 -7.640 -3.337 -0.573 1.00 1.19 C ATOM 1154 CG2 ILE B 23 -9.957 -3.300 0.387 1.00 1.60 C ATOM 1155 CD1 ILE B 23 -6.506 -4.200 -1.085 1.00 1.65 C ATOM 0 H ILE B 23 -9.947 -5.459 1.928 1.00 1.07 H new ATOM 0 HA ILE B 23 -7.214 -5.096 1.470 1.00 0.89 H new ATOM 0 HB ILE B 23 -8.922 -5.031 -0.298 1.00 0.73 H new ATOM 0 HG12 ILE B 23 -8.134 -2.860 -1.420 1.00 1.19 H new ATOM 0 HG13 ILE B 23 -7.228 -2.540 0.047 1.00 1.19 H new ATOM 0 HG21 ILE B 23 -10.341 -3.042 -0.600 1.00 1.60 H new ATOM 0 HG22 ILE B 23 -10.702 -3.887 0.925 1.00 1.60 H new ATOM 0 HG23 ILE B 23 -9.744 -2.387 0.943 1.00 1.60 H new ATOM 0 HD11 ILE B 23 -5.807 -3.584 -1.651 1.00 1.65 H new ATOM 0 HD12 ILE B 23 -5.987 -4.657 -0.242 1.00 1.65 H new ATOM 0 HD13 ILE B 23 -6.906 -4.981 -1.731 1.00 1.65 H new ATOM 1167 N GLN B 24 -8.717 -2.685 3.118 1.00 0.99 N ATOM 1168 CA GLN B 24 -8.492 -1.484 3.909 1.00 1.09 C ATOM 1169 C GLN B 24 -7.423 -1.743 4.964 1.00 1.21 C ATOM 1170 O GLN B 24 -6.437 -1.012 5.059 1.00 1.18 O ATOM 1171 CB GLN B 24 -9.791 -1.033 4.578 1.00 1.27 C ATOM 1172 CG GLN B 24 -9.835 0.456 4.880 1.00 1.47 C ATOM 1173 CD GLN B 24 -11.148 0.887 5.504 1.00 1.78 C ATOM 1174 OE1 GLN B 24 -11.681 0.212 6.385 1.00 2.40 O ATOM 1175 NE2 GLN B 24 -11.677 2.017 5.049 1.00 2.17 N ATOM 0 H GLN B 24 -9.664 -3.058 3.176 1.00 0.99 H new ATOM 0 HA GLN B 24 -8.149 -0.691 3.245 1.00 1.09 H new ATOM 0 HB2 GLN B 24 -10.631 -1.289 3.932 1.00 1.27 H new ATOM 0 HB3 GLN B 24 -9.923 -1.588 5.507 1.00 1.27 H new ATOM 0 HG2 GLN B 24 -9.016 0.711 5.553 1.00 1.47 H new ATOM 0 HG3 GLN B 24 -9.675 1.015 3.958 1.00 1.47 H new ATOM 0 HE21 GLN B 24 -11.201 2.545 4.318 1.00 2.17 H new ATOM 0 HE22 GLN B 24 -12.559 2.357 5.431 1.00 2.17 H new ATOM 1184 N LYS B 25 -7.622 -2.800 5.746 1.00 1.37 N ATOM 1185 CA LYS B 25 -6.672 -3.173 6.785 1.00 1.53 C ATOM 1186 C LYS B 25 -5.332 -3.569 6.165 1.00 1.41 C ATOM 1187 O LYS B 25 -4.286 -3.494 6.814 1.00 1.48 O ATOM 1188 CB LYS B 25 -7.245 -4.319 7.631 1.00 1.76 C ATOM 1189 CG LYS B 25 -6.194 -5.245 8.228 1.00 2.47 C ATOM 1190 CD LYS B 25 -5.780 -6.323 7.238 1.00 3.14 C ATOM 1191 CE LYS B 25 -5.847 -7.709 7.860 1.00 4.07 C ATOM 1192 NZ LYS B 25 -7.244 -8.220 7.927 1.00 4.68 N ATOM 0 H LYS B 25 -8.434 -3.413 5.678 1.00 1.37 H new ATOM 0 HA LYS B 25 -6.502 -2.315 7.435 1.00 1.53 H new ATOM 0 HB2 LYS B 25 -7.840 -3.895 8.440 1.00 1.76 H new ATOM 0 HB3 LYS B 25 -7.922 -4.908 7.012 1.00 1.76 H new ATOM 0 HG2 LYS B 25 -5.320 -4.664 8.523 1.00 2.47 H new ATOM 0 HG3 LYS B 25 -6.587 -5.710 9.132 1.00 2.47 H new ATOM 0 HD2 LYS B 25 -6.430 -6.284 6.364 1.00 3.14 H new ATOM 0 HD3 LYS B 25 -4.766 -6.128 6.890 1.00 3.14 H new ATOM 0 HE2 LYS B 25 -5.236 -8.398 7.278 1.00 4.07 H new ATOM 0 HE3 LYS B 25 -5.423 -7.677 8.864 1.00 4.07 H new ATOM 0 HZ1 LYS B 25 -7.247 -9.167 8.357 1.00 4.68 H new ATOM 0 HZ2 LYS B 25 -7.822 -7.576 8.504 1.00 4.68 H new ATOM 0 HZ3 LYS B 25 -7.640 -8.275 6.967 1.00 4.68 H new ATOM 1206 N GLU B 26 -5.369 -3.986 4.902 1.00 1.24 N ATOM 1207 CA GLU B 26 -4.160 -4.389 4.201 1.00 1.16 C ATOM 1208 C GLU B 26 -3.249 -3.190 3.989 1.00 1.00 C ATOM 1209 O GLU B 26 -2.069 -3.225 4.342 1.00 1.01 O ATOM 1210 CB GLU B 26 -4.509 -5.028 2.855 1.00 1.08 C ATOM 1211 CG GLU B 26 -3.512 -6.083 2.406 1.00 1.37 C ATOM 1212 CD GLU B 26 -4.174 -7.240 1.683 1.00 1.78 C ATOM 1213 OE1 GLU B 26 -5.282 -7.046 1.140 1.00 2.40 O ATOM 1214 OE2 GLU B 26 -3.584 -8.341 1.661 1.00 2.29 O ATOM 0 H GLU B 26 -6.222 -4.052 4.347 1.00 1.24 H new ATOM 0 HA GLU B 26 -3.637 -5.125 4.811 1.00 1.16 H new ATOM 0 HB2 GLU B 26 -5.498 -5.480 2.923 1.00 1.08 H new ATOM 0 HB3 GLU B 26 -4.566 -4.248 2.096 1.00 1.08 H new ATOM 0 HG2 GLU B 26 -2.773 -5.624 1.749 1.00 1.37 H new ATOM 0 HG3 GLU B 26 -2.974 -6.462 3.275 1.00 1.37 H new ATOM 1221 N ILE B 27 -3.800 -2.118 3.426 1.00 0.88 N ATOM 1222 CA ILE B 27 -3.020 -0.912 3.195 1.00 0.77 C ATOM 1223 C ILE B 27 -2.440 -0.416 4.509 1.00 0.93 C ATOM 1224 O ILE B 27 -1.270 -0.045 4.584 1.00 0.90 O ATOM 1225 CB ILE B 27 -3.855 0.202 2.523 1.00 0.72 C ATOM 1226 CG1 ILE B 27 -2.985 0.972 1.533 1.00 0.60 C ATOM 1227 CG2 ILE B 27 -4.456 1.153 3.552 1.00 0.91 C ATOM 1228 CD1 ILE B 27 -3.754 1.499 0.343 1.00 0.61 C ATOM 0 H ILE B 27 -4.773 -2.062 3.125 1.00 0.88 H new ATOM 0 HA ILE B 27 -2.211 -1.166 2.510 1.00 0.77 H new ATOM 0 HB ILE B 27 -4.682 -0.269 1.991 1.00 0.72 H new ATOM 0 HG12 ILE B 27 -2.512 1.807 2.049 1.00 0.60 H new ATOM 0 HG13 ILE B 27 -2.185 0.321 1.180 1.00 0.60 H new ATOM 0 HG21 ILE B 27 -5.036 1.922 3.042 1.00 0.91 H new ATOM 0 HG22 ILE B 27 -5.106 0.596 4.226 1.00 0.91 H new ATOM 0 HG23 ILE B 27 -3.656 1.622 4.125 1.00 0.91 H new ATOM 0 HD11 ILE B 27 -3.075 2.036 -0.320 1.00 0.61 H new ATOM 0 HD12 ILE B 27 -4.205 0.666 -0.196 1.00 0.61 H new ATOM 0 HD13 ILE B 27 -4.537 2.176 0.686 1.00 0.61 H new ATOM 1240 N ASP B 28 -3.261 -0.446 5.556 1.00 1.11 N ATOM 1241 CA ASP B 28 -2.815 -0.034 6.878 1.00 1.30 C ATOM 1242 C ASP B 28 -1.565 -0.820 7.242 1.00 1.30 C ATOM 1243 O ASP B 28 -0.654 -0.306 7.892 1.00 1.35 O ATOM 1244 CB ASP B 28 -3.913 -0.269 7.917 1.00 1.53 C ATOM 1245 CG ASP B 28 -4.750 0.970 8.164 1.00 1.80 C ATOM 1246 OD1 ASP B 28 -5.433 1.423 7.222 1.00 2.24 O ATOM 1247 OD2 ASP B 28 -4.722 1.489 9.300 1.00 2.23 O ATOM 0 H ASP B 28 -4.234 -0.750 5.512 1.00 1.11 H new ATOM 0 HA ASP B 28 -2.589 1.032 6.867 1.00 1.30 H new ATOM 0 HB2 ASP B 28 -4.560 -1.080 7.581 1.00 1.53 H new ATOM 0 HB3 ASP B 28 -3.459 -0.590 8.855 1.00 1.53 H new ATOM 1252 N ARG B 29 -1.526 -2.071 6.787 1.00 1.28 N ATOM 1253 CA ARG B 29 -0.385 -2.937 7.028 1.00 1.33 C ATOM 1254 C ARG B 29 0.842 -2.395 6.302 1.00 1.16 C ATOM 1255 O ARG B 29 1.958 -2.461 6.819 1.00 1.22 O ATOM 1256 CB ARG B 29 -0.689 -4.364 6.564 1.00 1.39 C ATOM 1257 CG ARG B 29 -0.506 -5.408 7.653 1.00 1.64 C ATOM 1258 CD ARG B 29 -1.001 -6.774 7.204 1.00 2.01 C ATOM 1259 NE ARG B 29 -1.314 -7.641 8.337 1.00 2.37 N ATOM 1260 CZ ARG B 29 -0.396 -8.175 9.139 1.00 2.99 C ATOM 1261 NH1 ARG B 29 0.893 -7.932 8.937 1.00 3.48 N ATOM 1262 NH2 ARG B 29 -0.768 -8.953 10.146 1.00 3.63 N ATOM 0 H ARG B 29 -2.276 -2.504 6.248 1.00 1.28 H new ATOM 0 HA ARG B 29 -0.182 -2.959 8.099 1.00 1.33 H new ATOM 0 HB2 ARG B 29 -1.715 -4.408 6.199 1.00 1.39 H new ATOM 0 HB3 ARG B 29 -0.040 -4.610 5.723 1.00 1.39 H new ATOM 0 HG2 ARG B 29 0.548 -5.473 7.923 1.00 1.64 H new ATOM 0 HG3 ARG B 29 -1.046 -5.100 8.548 1.00 1.64 H new ATOM 0 HD2 ARG B 29 -1.889 -6.652 6.584 1.00 2.01 H new ATOM 0 HD3 ARG B 29 -0.242 -7.249 6.583 1.00 2.01 H new ATOM 0 HE ARG B 29 -2.295 -7.850 8.525 1.00 2.37 H new ATOM 0 HH11 ARG B 29 1.184 -7.333 8.164 1.00 3.48 H new ATOM 0 HH12 ARG B 29 1.593 -8.344 9.555 1.00 3.48 H new ATOM 0 HH21 ARG B 29 -1.757 -9.142 10.306 1.00 3.63 H new ATOM 0 HH22 ARG B 29 -0.065 -9.362 10.761 1.00 3.63 H new ATOM 1276 N LEU B 30 0.630 -1.842 5.106 1.00 0.95 N ATOM 1277 CA LEU B 30 1.730 -1.276 4.335 1.00 0.79 C ATOM 1278 C LEU B 30 2.077 0.110 4.863 1.00 0.79 C ATOM 1279 O LEU B 30 3.248 0.453 5.009 1.00 0.84 O ATOM 1280 CB LEU B 30 1.391 -1.204 2.844 1.00 0.64 C ATOM 1281 CG LEU B 30 1.008 -2.538 2.194 1.00 0.68 C ATOM 1282 CD1 LEU B 30 1.111 -2.437 0.681 1.00 0.68 C ATOM 1283 CD2 LEU B 30 1.891 -3.666 2.711 1.00 0.80 C ATOM 0 H LEU B 30 -0.284 -1.776 4.657 1.00 0.95 H new ATOM 0 HA LEU B 30 2.593 -1.932 4.449 1.00 0.79 H new ATOM 0 HB2 LEU B 30 0.567 -0.503 2.709 1.00 0.64 H new ATOM 0 HB3 LEU B 30 2.249 -0.793 2.313 1.00 0.64 H new ATOM 0 HG LEU B 30 -0.024 -2.764 2.461 1.00 0.68 H new ATOM 0 HD11 LEU B 30 0.836 -3.392 0.233 1.00 0.68 H new ATOM 0 HD12 LEU B 30 0.436 -1.660 0.321 1.00 0.68 H new ATOM 0 HD13 LEU B 30 2.134 -2.187 0.402 1.00 0.68 H new ATOM 0 HD21 LEU B 30 1.600 -4.603 2.235 1.00 0.80 H new ATOM 0 HD22 LEU B 30 2.933 -3.448 2.477 1.00 0.80 H new ATOM 0 HD23 LEU B 30 1.772 -3.755 3.791 1.00 0.80 H new ATOM 1295 N ASN B 31 1.051 0.900 5.174 1.00 0.88 N ATOM 1296 CA ASN B 31 1.263 2.239 5.714 1.00 0.96 C ATOM 1297 C ASN B 31 2.241 2.165 6.878 1.00 1.04 C ATOM 1298 O ASN B 31 3.207 2.927 6.952 1.00 1.03 O ATOM 1299 CB ASN B 31 -0.062 2.848 6.175 1.00 1.11 C ATOM 1300 CG ASN B 31 -0.133 4.340 5.916 1.00 1.45 C ATOM 1301 OD1 ASN B 31 -1.106 4.838 5.348 1.00 2.08 O ATOM 1302 ND2 ASN B 31 0.900 5.064 6.333 1.00 1.99 N ATOM 0 H ASN B 31 0.072 0.638 5.062 1.00 0.88 H new ATOM 0 HA ASN B 31 1.677 2.876 4.933 1.00 0.96 H new ATOM 0 HB2 ASN B 31 -0.885 2.353 5.660 1.00 1.11 H new ATOM 0 HB3 ASN B 31 -0.194 2.660 7.241 1.00 1.11 H new ATOM 0 HD21 ASN B 31 0.907 6.073 6.187 1.00 1.99 H new ATOM 0 HD22 ASN B 31 1.686 4.610 6.799 1.00 1.99 H new ATOM 1309 N GLU B 32 1.997 1.210 7.768 1.00 1.15 N ATOM 1310 CA GLU B 32 2.867 0.997 8.911 1.00 1.26 C ATOM 1311 C GLU B 32 4.194 0.424 8.435 1.00 1.13 C ATOM 1312 O GLU B 32 5.249 0.716 8.998 1.00 1.16 O ATOM 1313 CB GLU B 32 2.211 0.048 9.916 1.00 1.45 C ATOM 1314 CG GLU B 32 1.318 0.751 10.924 1.00 1.86 C ATOM 1315 CD GLU B 32 1.156 -0.036 12.209 1.00 2.27 C ATOM 1316 OE1 GLU B 32 2.146 -0.654 12.656 1.00 2.68 O ATOM 1317 OE2 GLU B 32 0.040 -0.037 12.770 1.00 2.90 O ATOM 0 H GLU B 32 1.203 0.572 7.717 1.00 1.15 H new ATOM 0 HA GLU B 32 3.042 1.951 9.408 1.00 1.26 H new ATOM 0 HB2 GLU B 32 1.621 -0.691 9.374 1.00 1.45 H new ATOM 0 HB3 GLU B 32 2.990 -0.496 10.451 1.00 1.45 H new ATOM 0 HG2 GLU B 32 1.737 1.731 11.153 1.00 1.86 H new ATOM 0 HG3 GLU B 32 0.337 0.919 10.479 1.00 1.86 H new ATOM 1324 N VAL B 33 4.133 -0.386 7.377 1.00 1.03 N ATOM 1325 CA VAL B 33 5.332 -0.984 6.810 1.00 0.96 C ATOM 1326 C VAL B 33 6.284 0.108 6.336 1.00 0.80 C ATOM 1327 O VAL B 33 7.491 0.026 6.553 1.00 0.81 O ATOM 1328 CB VAL B 33 4.992 -1.977 5.662 1.00 0.94 C ATOM 1329 CG1 VAL B 33 5.213 -1.375 4.275 1.00 0.86 C ATOM 1330 CG2 VAL B 33 5.800 -3.256 5.817 1.00 1.20 C ATOM 0 H VAL B 33 3.268 -0.639 6.900 1.00 1.03 H new ATOM 0 HA VAL B 33 5.827 -1.563 7.590 1.00 0.96 H new ATOM 0 HB VAL B 33 3.929 -2.204 5.742 1.00 0.94 H new ATOM 0 HG11 VAL B 33 4.960 -2.113 3.514 1.00 0.86 H new ATOM 0 HG12 VAL B 33 4.579 -0.497 4.154 1.00 0.86 H new ATOM 0 HG13 VAL B 33 6.258 -1.086 4.166 1.00 0.86 H new ATOM 0 HG21 VAL B 33 5.553 -3.943 5.007 1.00 1.20 H new ATOM 0 HG22 VAL B 33 6.864 -3.021 5.782 1.00 1.20 H new ATOM 0 HG23 VAL B 33 5.563 -3.722 6.773 1.00 1.20 H new ATOM 1340 N ALA B 34 5.729 1.149 5.716 1.00 0.69 N ATOM 1341 CA ALA B 34 6.537 2.266 5.249 1.00 0.60 C ATOM 1342 C ALA B 34 7.111 3.013 6.445 1.00 0.73 C ATOM 1343 O ALA B 34 8.229 3.522 6.397 1.00 0.72 O ATOM 1344 CB ALA B 34 5.725 3.210 4.374 1.00 0.56 C ATOM 0 H ALA B 34 4.730 1.239 5.528 1.00 0.69 H new ATOM 0 HA ALA B 34 7.352 1.873 4.641 1.00 0.60 H new ATOM 0 HB1 ALA B 34 6.358 4.033 4.042 1.00 0.56 H new ATOM 0 HB2 ALA B 34 5.349 2.668 3.506 1.00 0.56 H new ATOM 0 HB3 ALA B 34 4.886 3.606 4.946 1.00 0.56 H new ATOM 1350 N LYS B 35 6.333 3.060 7.527 1.00 0.90 N ATOM 1351 CA LYS B 35 6.759 3.729 8.750 1.00 1.06 C ATOM 1352 C LYS B 35 8.028 3.083 9.293 1.00 1.07 C ATOM 1353 O LYS B 35 9.004 3.767 9.600 1.00 1.10 O ATOM 1354 CB LYS B 35 5.649 3.680 9.802 1.00 1.24 C ATOM 1355 CG LYS B 35 4.819 4.952 9.869 1.00 1.46 C ATOM 1356 CD LYS B 35 3.866 4.934 11.054 1.00 1.92 C ATOM 1357 CE LYS B 35 3.322 6.322 11.355 1.00 2.38 C ATOM 1358 NZ LYS B 35 3.798 6.833 12.670 1.00 3.01 N ATOM 0 H LYS B 35 5.404 2.641 7.578 1.00 0.90 H new ATOM 0 HA LYS B 35 6.970 4.773 8.516 1.00 1.06 H new ATOM 0 HB2 LYS B 35 4.992 2.838 9.586 1.00 1.24 H new ATOM 0 HB3 LYS B 35 6.094 3.494 10.780 1.00 1.24 H new ATOM 0 HG2 LYS B 35 5.480 5.815 9.945 1.00 1.46 H new ATOM 0 HG3 LYS B 35 4.251 5.066 8.946 1.00 1.46 H new ATOM 0 HD2 LYS B 35 3.039 4.255 10.846 1.00 1.92 H new ATOM 0 HD3 LYS B 35 4.383 4.547 11.932 1.00 1.92 H new ATOM 0 HE2 LYS B 35 3.627 7.010 10.566 1.00 2.38 H new ATOM 0 HE3 LYS B 35 2.232 6.294 11.350 1.00 2.38 H new ATOM 0 HZ1 LYS B 35 3.405 7.781 12.837 1.00 3.01 H new ATOM 0 HZ2 LYS B 35 3.486 6.191 13.426 1.00 3.01 H new ATOM 0 HZ3 LYS B 35 4.837 6.885 12.667 1.00 3.01 H new ATOM 1372 N ASN B 36 8.012 1.758 9.387 1.00 1.07 N ATOM 1373 CA ASN B 36 9.172 1.017 9.870 1.00 1.12 C ATOM 1374 C ASN B 36 10.331 1.216 8.904 1.00 0.96 C ATOM 1375 O ASN B 36 11.488 1.386 9.311 1.00 0.99 O ATOM 1376 CB ASN B 36 8.840 -0.472 10.005 1.00 1.19 C ATOM 1377 CG ASN B 36 9.161 -1.012 11.385 1.00 1.53 C ATOM 1378 OD1 ASN B 36 10.113 -0.574 12.030 1.00 1.97 O ATOM 1379 ND2 ASN B 36 8.365 -1.970 11.845 1.00 2.13 N ATOM 0 H ASN B 36 7.212 1.177 9.136 1.00 1.07 H new ATOM 0 HA ASN B 36 9.453 1.391 10.855 1.00 1.12 H new ATOM 0 HB2 ASN B 36 7.782 -0.626 9.794 1.00 1.19 H new ATOM 0 HB3 ASN B 36 9.399 -1.036 9.258 1.00 1.19 H new ATOM 0 HD21 ASN B 36 8.532 -2.373 12.767 1.00 2.13 H new ATOM 0 HD22 ASN B 36 7.587 -2.303 11.276 1.00 2.13 H new ATOM 1386 N LEU B 37 10.002 1.233 7.615 1.00 0.80 N ATOM 1387 CA LEU B 37 10.999 1.450 6.585 1.00 0.65 C ATOM 1388 C LEU B 37 11.600 2.832 6.776 1.00 0.66 C ATOM 1389 O LEU B 37 12.817 2.997 6.793 1.00 0.65 O ATOM 1390 CB LEU B 37 10.371 1.341 5.194 1.00 0.51 C ATOM 1391 CG LEU B 37 9.985 -0.074 4.759 1.00 0.60 C ATOM 1392 CD1 LEU B 37 9.488 -0.066 3.323 1.00 0.47 C ATOM 1393 CD2 LEU B 37 11.161 -1.026 4.912 1.00 0.79 C ATOM 0 H LEU B 37 9.053 1.099 7.265 1.00 0.80 H new ATOM 0 HA LEU B 37 11.775 0.689 6.666 1.00 0.65 H new ATOM 0 HB2 LEU B 37 9.480 1.968 5.166 1.00 0.51 H new ATOM 0 HB3 LEU B 37 11.071 1.749 4.465 1.00 0.51 H new ATOM 0 HG LEU B 37 9.180 -0.425 5.405 1.00 0.60 H new ATOM 0 HD11 LEU B 37 9.217 -1.079 3.026 1.00 0.47 H new ATOM 0 HD12 LEU B 37 8.615 0.581 3.244 1.00 0.47 H new ATOM 0 HD13 LEU B 37 10.276 0.305 2.667 1.00 0.47 H new ATOM 0 HD21 LEU B 37 10.863 -2.026 4.597 1.00 0.79 H new ATOM 0 HD22 LEU B 37 11.990 -0.682 4.293 1.00 0.79 H new ATOM 0 HD23 LEU B 37 11.474 -1.053 5.956 1.00 0.79 H new ATOM 1405 N ASN B 38 10.717 3.814 6.953 1.00 0.75 N ATOM 1406 CA ASN B 38 11.117 5.198 7.177 1.00 0.85 C ATOM 1407 C ASN B 38 12.086 5.297 8.349 1.00 0.95 C ATOM 1408 O ASN B 38 12.974 6.151 8.369 1.00 0.98 O ATOM 1409 CB ASN B 38 9.886 6.055 7.461 1.00 1.00 C ATOM 1410 CG ASN B 38 10.010 7.456 6.895 1.00 1.13 C ATOM 1411 OD1 ASN B 38 9.181 7.890 6.095 1.00 1.69 O ATOM 1412 ND2 ASN B 38 11.049 8.172 7.309 1.00 1.62 N ATOM 0 H ASN B 38 9.707 3.671 6.945 1.00 0.75 H new ATOM 0 HA ASN B 38 11.616 5.560 6.278 1.00 0.85 H new ATOM 0 HB2 ASN B 38 9.006 5.572 7.037 1.00 1.00 H new ATOM 0 HB3 ASN B 38 9.729 6.114 8.538 1.00 1.00 H new ATOM 0 HD21 ASN B 38 11.184 9.122 6.963 1.00 1.62 H new ATOM 0 HD22 ASN B 38 11.712 7.772 7.973 1.00 1.62 H new ATOM 1419 N GLU B 39 11.908 4.413 9.325 1.00 1.03 N ATOM 1420 CA GLU B 39 12.765 4.400 10.504 1.00 1.16 C ATOM 1421 C GLU B 39 14.201 4.111 10.100 1.00 1.06 C ATOM 1422 O GLU B 39 15.113 4.901 10.363 1.00 1.11 O ATOM 1423 CB GLU B 39 12.278 3.349 11.504 1.00 1.28 C ATOM 1424 CG GLU B 39 12.297 3.827 12.947 1.00 1.62 C ATOM 1425 CD GLU B 39 11.815 2.768 13.918 1.00 2.07 C ATOM 1426 OE1 GLU B 39 11.138 1.817 13.473 1.00 2.56 O ATOM 1427 OE2 GLU B 39 12.113 2.889 15.125 1.00 2.62 O ATOM 0 H GLU B 39 11.180 3.698 9.323 1.00 1.03 H new ATOM 0 HA GLU B 39 12.721 5.380 10.979 1.00 1.16 H new ATOM 0 HB2 GLU B 39 11.262 3.053 11.241 1.00 1.28 H new ATOM 0 HB3 GLU B 39 12.902 2.460 11.416 1.00 1.28 H new ATOM 0 HG2 GLU B 39 13.311 4.125 13.214 1.00 1.62 H new ATOM 0 HG3 GLU B 39 11.669 4.713 13.041 1.00 1.62 H new ATOM 1434 N SER B 40 14.402 2.985 9.437 1.00 0.94 N ATOM 1435 CA SER B 40 15.737 2.619 8.982 1.00 0.86 C ATOM 1436 C SER B 40 16.346 3.765 8.175 1.00 0.74 C ATOM 1437 O SER B 40 17.565 3.975 8.176 1.00 0.74 O ATOM 1438 CB SER B 40 15.681 1.348 8.138 1.00 0.80 C ATOM 1439 OG SER B 40 14.939 0.332 8.792 1.00 1.34 O ATOM 0 H SER B 40 13.670 2.314 9.203 1.00 0.94 H new ATOM 0 HA SER B 40 16.365 2.428 9.852 1.00 0.86 H new ATOM 0 HB2 SER B 40 15.227 1.569 7.172 1.00 0.80 H new ATOM 0 HB3 SER B 40 16.693 0.994 7.941 1.00 0.80 H new ATOM 0 HG SER B 40 14.917 -0.470 8.230 1.00 1.34 H new ATOM 1445 N LEU B 41 15.481 4.517 7.495 1.00 0.69 N ATOM 1446 CA LEU B 41 15.925 5.647 6.693 1.00 0.66 C ATOM 1447 C LEU B 41 16.381 6.786 7.594 1.00 0.81 C ATOM 1448 O LEU B 41 17.227 7.591 7.207 1.00 0.84 O ATOM 1449 CB LEU B 41 14.826 6.117 5.741 1.00 0.66 C ATOM 1450 CG LEU B 41 13.850 5.035 5.285 1.00 0.57 C ATOM 1451 CD1 LEU B 41 13.013 5.523 4.115 1.00 0.72 C ATOM 1452 CD2 LEU B 41 14.590 3.760 4.914 1.00 0.62 C ATOM 0 H LEU B 41 14.473 4.362 7.486 1.00 0.69 H new ATOM 0 HA LEU B 41 16.770 5.321 6.087 1.00 0.66 H new ATOM 0 HB2 LEU B 41 14.260 6.911 6.229 1.00 0.66 H new ATOM 0 HB3 LEU B 41 15.295 6.555 4.860 1.00 0.66 H new ATOM 0 HG LEU B 41 13.182 4.813 6.117 1.00 0.57 H new ATOM 0 HD11 LEU B 41 12.325 4.736 3.807 1.00 0.72 H new ATOM 0 HD12 LEU B 41 12.446 6.404 4.416 1.00 0.72 H new ATOM 0 HD13 LEU B 41 13.667 5.780 3.282 1.00 0.72 H new ATOM 0 HD21 LEU B 41 13.874 3.004 4.592 1.00 0.62 H new ATOM 0 HD22 LEU B 41 15.288 3.967 4.103 1.00 0.62 H new ATOM 0 HD23 LEU B 41 15.140 3.393 5.781 1.00 0.62 H new ATOM 1464 N ILE B 42 15.857 6.838 8.817 1.00 0.95 N ATOM 1465 CA ILE B 42 16.291 7.867 9.748 1.00 1.12 C ATOM 1466 C ILE B 42 17.742 7.583 10.110 1.00 1.08 C ATOM 1467 O ILE B 42 18.539 8.494 10.336 1.00 1.15 O ATOM 1468 CB ILE B 42 15.420 7.937 11.027 1.00 1.30 C ATOM 1469 CG1 ILE B 42 15.804 6.850 12.042 1.00 1.74 C ATOM 1470 CG2 ILE B 42 13.947 7.834 10.669 1.00 1.61 C ATOM 1471 CD1 ILE B 42 16.600 7.378 13.216 1.00 2.17 C ATOM 0 H ILE B 42 15.150 6.196 9.176 1.00 0.95 H new ATOM 0 HA ILE B 42 16.185 8.838 9.264 1.00 1.12 H new ATOM 0 HB ILE B 42 15.605 8.902 11.498 1.00 1.30 H new ATOM 0 HG12 ILE B 42 14.897 6.373 12.413 1.00 1.74 H new ATOM 0 HG13 ILE B 42 16.385 6.079 11.536 1.00 1.74 H new ATOM 0 HG21 ILE B 42 13.347 7.885 11.578 1.00 1.61 H new ATOM 0 HG22 ILE B 42 13.675 8.657 10.008 1.00 1.61 H new ATOM 0 HG23 ILE B 42 13.761 6.886 10.164 1.00 1.61 H new ATOM 0 HD11 ILE B 42 16.837 6.557 13.893 1.00 2.17 H new ATOM 0 HD12 ILE B 42 17.524 7.830 12.855 1.00 2.17 H new ATOM 0 HD13 ILE B 42 16.013 8.128 13.746 1.00 2.17 H new ATOM 1483 N ASP B 43 18.073 6.292 10.121 1.00 0.99 N ATOM 1484 CA ASP B 43 19.430 5.846 10.407 1.00 0.96 C ATOM 1485 C ASP B 43 20.392 6.400 9.361 1.00 0.83 C ATOM 1486 O ASP B 43 21.335 7.120 9.691 1.00 0.87 O ATOM 1487 CB ASP B 43 19.501 4.315 10.416 1.00 0.95 C ATOM 1488 CG ASP B 43 19.959 3.764 11.753 1.00 1.15 C ATOM 1489 OD1 ASP B 43 19.419 4.201 12.791 1.00 1.80 O ATOM 1490 OD2 ASP B 43 20.857 2.896 11.761 1.00 1.51 O ATOM 0 H ASP B 43 17.414 5.536 9.934 1.00 0.99 H new ATOM 0 HA ASP B 43 19.716 6.216 11.392 1.00 0.96 H new ATOM 0 HB2 ASP B 43 18.519 3.907 10.175 1.00 0.95 H new ATOM 0 HB3 ASP B 43 20.185 3.981 9.635 1.00 0.95 H new ATOM 1495 N LEU B 44 20.142 6.065 8.093 1.00 0.71 N ATOM 1496 CA LEU B 44 20.989 6.544 6.999 1.00 0.62 C ATOM 1497 C LEU B 44 21.117 8.062 7.045 1.00 0.75 C ATOM 1498 O LEU B 44 22.158 8.620 6.694 1.00 0.79 O ATOM 1499 CB LEU B 44 20.432 6.102 5.643 1.00 0.65 C ATOM 1500 CG LEU B 44 19.008 6.560 5.338 1.00 0.84 C ATOM 1501 CD1 LEU B 44 18.986 8.033 4.953 1.00 1.06 C ATOM 1502 CD2 LEU B 44 18.402 5.709 4.232 1.00 1.80 C ATOM 0 H LEU B 44 19.367 5.469 7.800 1.00 0.71 H new ATOM 0 HA LEU B 44 21.979 6.105 7.124 1.00 0.62 H new ATOM 0 HB2 LEU B 44 21.091 6.476 4.859 1.00 0.65 H new ATOM 0 HB3 LEU B 44 20.464 5.014 5.594 1.00 0.65 H new ATOM 0 HG LEU B 44 18.407 6.435 6.239 1.00 0.84 H new ATOM 0 HD11 LEU B 44 17.962 8.338 4.740 1.00 1.06 H new ATOM 0 HD12 LEU B 44 19.379 8.630 5.776 1.00 1.06 H new ATOM 0 HD13 LEU B 44 19.602 8.187 4.067 1.00 1.06 H new ATOM 0 HD21 LEU B 44 17.387 6.048 4.027 1.00 1.80 H new ATOM 0 HD22 LEU B 44 19.005 5.802 3.329 1.00 1.80 H new ATOM 0 HD23 LEU B 44 18.379 4.666 4.547 1.00 1.80 H new ATOM 1514 N GLN B 45 20.057 8.725 7.496 1.00 0.89 N ATOM 1515 CA GLN B 45 20.055 10.177 7.604 1.00 1.08 C ATOM 1516 C GLN B 45 21.120 10.631 8.596 1.00 1.16 C ATOM 1517 O GLN B 45 21.796 11.637 8.383 1.00 1.29 O ATOM 1518 CB GLN B 45 18.678 10.679 8.044 1.00 1.24 C ATOM 1519 CG GLN B 45 17.801 11.135 6.890 1.00 1.55 C ATOM 1520 CD GLN B 45 16.743 12.132 7.320 1.00 2.05 C ATOM 1521 OE1 GLN B 45 16.969 12.945 8.216 1.00 2.53 O ATOM 1522 NE2 GLN B 45 15.580 12.074 6.682 1.00 2.69 N ATOM 0 H GLN B 45 19.189 8.279 7.792 1.00 0.89 H new ATOM 0 HA GLN B 45 20.282 10.598 6.624 1.00 1.08 H new ATOM 0 HB2 GLN B 45 18.167 9.884 8.586 1.00 1.24 H new ATOM 0 HB3 GLN B 45 18.808 11.507 8.741 1.00 1.24 H new ATOM 0 HG2 GLN B 45 18.427 11.585 6.119 1.00 1.55 H new ATOM 0 HG3 GLN B 45 17.317 10.267 6.442 1.00 1.55 H new ATOM 0 HE21 GLN B 45 15.436 11.383 5.945 1.00 2.69 H new ATOM 0 HE22 GLN B 45 14.830 12.720 6.929 1.00 2.69 H new ATOM 1531 N GLU B 46 21.268 9.870 9.676 1.00 1.12 N ATOM 1532 CA GLU B 46 22.256 10.179 10.700 1.00 1.24 C ATOM 1533 C GLU B 46 23.618 9.608 10.318 1.00 1.06 C ATOM 1534 O GLU B 46 24.658 10.157 10.682 1.00 1.15 O ATOM 1535 CB GLU B 46 21.815 9.619 12.053 1.00 1.38 C ATOM 1536 CG GLU B 46 22.654 10.114 13.220 1.00 1.59 C ATOM 1537 CD GLU B 46 22.422 9.312 14.487 1.00 2.32 C ATOM 1538 OE1 GLU B 46 21.359 8.665 14.594 1.00 2.86 O ATOM 1539 OE2 GLU B 46 23.304 9.332 15.371 1.00 2.91 O ATOM 0 H GLU B 46 20.715 9.034 9.863 1.00 1.12 H new ATOM 0 HA GLU B 46 22.340 11.263 10.778 1.00 1.24 H new ATOM 0 HB2 GLU B 46 20.773 9.888 12.226 1.00 1.38 H new ATOM 0 HB3 GLU B 46 21.862 8.531 12.019 1.00 1.38 H new ATOM 0 HG2 GLU B 46 23.709 10.064 12.951 1.00 1.59 H new ATOM 0 HG3 GLU B 46 22.423 11.162 13.410 1.00 1.59 H new ATOM 1546 N LEU B 47 23.601 8.502 9.577 1.00 0.87 N ATOM 1547 CA LEU B 47 24.832 7.856 9.138 1.00 0.75 C ATOM 1548 C LEU B 47 25.685 8.821 8.321 1.00 0.77 C ATOM 1549 O LEU B 47 26.914 8.787 8.383 1.00 0.84 O ATOM 1550 CB LEU B 47 24.513 6.611 8.306 1.00 0.66 C ATOM 1551 CG LEU B 47 23.984 5.415 9.101 1.00 0.85 C ATOM 1552 CD1 LEU B 47 23.803 4.209 8.192 1.00 0.90 C ATOM 1553 CD2 LEU B 47 24.922 5.081 10.251 1.00 1.12 C ATOM 0 H LEU B 47 22.748 8.036 9.269 1.00 0.87 H new ATOM 0 HA LEU B 47 25.393 7.557 10.023 1.00 0.75 H new ATOM 0 HB2 LEU B 47 23.776 6.878 7.549 1.00 0.66 H new ATOM 0 HB3 LEU B 47 25.416 6.305 7.778 1.00 0.66 H new ATOM 0 HG LEU B 47 23.012 5.681 9.517 1.00 0.85 H new ATOM 0 HD11 LEU B 47 23.426 3.368 8.774 1.00 0.90 H new ATOM 0 HD12 LEU B 47 23.091 4.452 7.403 1.00 0.90 H new ATOM 0 HD13 LEU B 47 24.761 3.942 7.747 1.00 0.90 H new ATOM 0 HD21 LEU B 47 24.529 4.228 10.805 1.00 1.12 H new ATOM 0 HD22 LEU B 47 25.908 4.835 9.857 1.00 1.12 H new ATOM 0 HD23 LEU B 47 25.002 5.940 10.917 1.00 1.12 H new ATOM 1565 N GLY B 48 25.021 9.681 7.555 1.00 0.89 N ATOM 1566 CA GLY B 48 25.730 10.646 6.735 1.00 1.05 C ATOM 1567 C GLY B 48 25.822 12.016 7.385 1.00 1.14 C ATOM 1568 O GLY B 48 26.241 12.982 6.746 1.00 1.40 O ATOM 0 H GLY B 48 24.004 9.727 7.488 1.00 0.89 H new ATOM 0 HA2 GLY B 48 26.735 10.276 6.534 1.00 1.05 H new ATOM 0 HA3 GLY B 48 25.226 10.738 5.773 1.00 1.05 H new ATOM 1572 N LYS B 49 25.429 12.106 8.653 1.00 1.21 N ATOM 1573 CA LYS B 49 25.470 13.373 9.375 1.00 1.53 C ATOM 1574 C LYS B 49 26.709 13.463 10.260 1.00 1.56 C ATOM 1575 O LYS B 49 27.660 14.178 9.945 1.00 1.72 O ATOM 1576 CB LYS B 49 24.207 13.544 10.222 1.00 1.90 C ATOM 1577 CG LYS B 49 24.166 14.852 10.998 1.00 2.40 C ATOM 1578 CD LYS B 49 24.232 14.615 12.499 1.00 2.77 C ATOM 1579 CE LYS B 49 23.367 15.609 13.257 1.00 3.37 C ATOM 1580 NZ LYS B 49 23.188 15.216 14.682 1.00 3.87 N ATOM 0 H LYS B 49 25.080 11.319 9.200 1.00 1.21 H new ATOM 0 HA LYS B 49 25.517 14.176 8.640 1.00 1.53 H new ATOM 0 HB2 LYS B 49 23.334 13.489 9.572 1.00 1.90 H new ATOM 0 HB3 LYS B 49 24.135 12.713 10.923 1.00 1.90 H new ATOM 0 HG2 LYS B 49 25.000 15.484 10.692 1.00 2.40 H new ATOM 0 HG3 LYS B 49 23.251 15.392 10.754 1.00 2.40 H new ATOM 0 HD2 LYS B 49 23.904 13.600 12.723 1.00 2.77 H new ATOM 0 HD3 LYS B 49 25.265 14.698 12.837 1.00 2.77 H new ATOM 0 HE2 LYS B 49 23.822 16.598 13.208 1.00 3.37 H new ATOM 0 HE3 LYS B 49 22.392 15.683 12.776 1.00 3.37 H new ATOM 0 HZ1 LYS B 49 22.592 15.919 15.164 1.00 3.87 H new ATOM 0 HZ2 LYS B 49 22.730 14.283 14.730 1.00 3.87 H new ATOM 0 HZ3 LYS B 49 24.116 15.170 15.149 1.00 3.87 H new ATOM 1594 N TYR B 50 26.688 12.738 11.370 1.00 1.75 N ATOM 1595 CA TYR B 50 27.806 12.738 12.308 1.00 2.10 C ATOM 1596 C TYR B 50 28.682 11.503 12.120 1.00 1.99 C ATOM 1597 O TYR B 50 29.903 11.570 12.261 1.00 2.12 O ATOM 1598 CB TYR B 50 27.289 12.792 13.747 1.00 2.88 C ATOM 1599 CG TYR B 50 28.327 13.250 14.747 1.00 3.47 C ATOM 1600 CD1 TYR B 50 29.456 12.483 15.004 1.00 3.92 C ATOM 1601 CD2 TYR B 50 28.176 14.447 15.436 1.00 4.11 C ATOM 1602 CE1 TYR B 50 30.406 12.896 15.919 1.00 4.69 C ATOM 1603 CE2 TYR B 50 29.122 14.867 16.351 1.00 4.85 C ATOM 1604 CZ TYR B 50 30.235 14.088 16.589 1.00 5.03 C ATOM 1605 OH TYR B 50 31.179 14.503 17.501 1.00 5.91 O ATOM 0 H TYR B 50 25.908 12.141 11.645 1.00 1.75 H new ATOM 0 HA TYR B 50 28.411 13.622 12.109 1.00 2.10 H new ATOM 0 HB2 TYR B 50 26.432 13.465 13.791 1.00 2.88 H new ATOM 0 HB3 TYR B 50 26.933 11.803 14.033 1.00 2.88 H new ATOM 0 HD1 TYR B 50 29.594 11.549 14.480 1.00 3.92 H new ATOM 0 HD2 TYR B 50 27.305 15.059 15.253 1.00 4.11 H new ATOM 0 HE1 TYR B 50 31.278 12.288 16.108 1.00 4.69 H new ATOM 0 HE2 TYR B 50 28.991 15.801 16.877 1.00 4.85 H new ATOM 0 HH TYR B 50 30.908 15.364 17.884 1.00 5.91 H new ATOM 1615 N GLU B 51 28.051 10.376 11.806 1.00 2.14 N ATOM 1616 CA GLU B 51 28.773 9.123 11.605 1.00 2.53 C ATOM 1617 C GLU B 51 29.904 9.290 10.593 1.00 2.23 C ATOM 1618 O GLU B 51 30.937 8.628 10.690 1.00 2.62 O ATOM 1619 CB GLU B 51 27.812 8.029 11.137 1.00 3.24 C ATOM 1620 CG GLU B 51 27.221 7.211 12.274 1.00 3.86 C ATOM 1621 CD GLU B 51 28.005 5.943 12.550 1.00 4.47 C ATOM 1622 OE1 GLU B 51 27.725 4.917 11.895 1.00 4.96 O ATOM 1623 OE2 GLU B 51 28.899 5.976 13.422 1.00 4.88 O ATOM 0 H GLU B 51 27.041 10.304 11.685 1.00 2.14 H new ATOM 0 HA GLU B 51 29.212 8.833 12.560 1.00 2.53 H new ATOM 0 HB2 GLU B 51 27.001 8.487 10.571 1.00 3.24 H new ATOM 0 HB3 GLU B 51 28.339 7.361 10.456 1.00 3.24 H new ATOM 0 HG2 GLU B 51 27.192 7.820 13.178 1.00 3.86 H new ATOM 0 HG3 GLU B 51 26.191 6.951 12.032 1.00 3.86 H new ATOM 1630 N GLN B 52 29.704 10.177 9.623 1.00 1.94 N ATOM 1631 CA GLN B 52 30.713 10.422 8.598 1.00 2.26 C ATOM 1632 C GLN B 52 31.583 11.628 8.951 1.00 2.45 C ATOM 1633 O GLN B 52 32.301 12.153 8.101 1.00 3.15 O ATOM 1634 CB GLN B 52 30.048 10.637 7.236 1.00 2.64 C ATOM 1635 CG GLN B 52 29.249 11.928 7.141 1.00 3.05 C ATOM 1636 CD GLN B 52 29.763 12.856 6.058 1.00 3.69 C ATOM 1637 OE1 GLN B 52 28.984 13.454 5.315 1.00 4.04 O ATOM 1638 NE2 GLN B 52 31.082 12.981 5.962 1.00 4.35 N ATOM 0 H GLN B 52 28.856 10.736 9.525 1.00 1.94 H new ATOM 0 HA GLN B 52 31.356 9.543 8.547 1.00 2.26 H new ATOM 0 HB2 GLN B 52 30.816 10.638 6.463 1.00 2.64 H new ATOM 0 HB3 GLN B 52 29.387 9.795 7.028 1.00 2.64 H new ATOM 0 HG2 GLN B 52 28.204 11.690 6.944 1.00 3.05 H new ATOM 0 HG3 GLN B 52 29.283 12.443 8.101 1.00 3.05 H new ATOM 0 HE21 GLN B 52 31.691 12.467 6.599 1.00 4.35 H new ATOM 0 HE22 GLN B 52 31.486 13.591 5.252 1.00 4.35 H new ATOM 1647 N TYR B 53 31.520 12.060 10.209 1.00 2.21 N ATOM 1648 CA TYR B 53 32.310 13.199 10.663 1.00 2.82 C ATOM 1649 C TYR B 53 33.802 12.929 10.484 1.00 2.86 C ATOM 1650 O TYR B 53 34.602 13.858 10.375 1.00 3.68 O ATOM 1651 CB TYR B 53 32.006 13.504 12.131 1.00 3.17 C ATOM 1652 CG TYR B 53 32.598 14.809 12.613 1.00 3.86 C ATOM 1653 CD1 TYR B 53 33.907 14.872 13.074 1.00 4.49 C ATOM 1654 CD2 TYR B 53 31.848 15.978 12.606 1.00 4.40 C ATOM 1655 CE1 TYR B 53 34.452 16.063 13.514 1.00 5.38 C ATOM 1656 CE2 TYR B 53 32.385 17.173 13.045 1.00 5.30 C ATOM 1657 CZ TYR B 53 33.687 17.211 13.498 1.00 5.69 C ATOM 1658 OH TYR B 53 34.226 18.399 13.935 1.00 6.72 O ATOM 0 H TYR B 53 30.932 11.639 10.928 1.00 2.21 H new ATOM 0 HA TYR B 53 32.040 14.064 10.057 1.00 2.82 H new ATOM 0 HB2 TYR B 53 30.925 13.531 12.272 1.00 3.17 H new ATOM 0 HB3 TYR B 53 32.388 12.691 12.749 1.00 3.17 H new ATOM 0 HD1 TYR B 53 34.509 13.975 13.089 1.00 4.49 H new ATOM 0 HD2 TYR B 53 30.828 15.953 12.252 1.00 4.40 H new ATOM 0 HE1 TYR B 53 35.472 16.095 13.869 1.00 5.38 H new ATOM 0 HE2 TYR B 53 31.788 18.073 13.033 1.00 5.30 H new ATOM 0 HH TYR B 53 33.556 19.110 13.857 1.00 6.72 H new ATOM 1668 N ILE B 54 34.166 11.651 10.452 1.00 2.38 N ATOM 1669 CA ILE B 54 35.560 11.253 10.283 1.00 2.89 C ATOM 1670 C ILE B 54 36.038 11.527 8.862 1.00 3.84 C ATOM 1671 O ILE B 54 35.377 11.158 7.892 1.00 4.05 O ATOM 1672 CB ILE B 54 35.770 9.757 10.605 1.00 2.81 C ATOM 1673 CG1 ILE B 54 34.642 8.912 10.008 1.00 3.38 C ATOM 1674 CG2 ILE B 54 35.856 9.547 12.109 1.00 3.37 C ATOM 1675 CD1 ILE B 54 34.931 7.428 10.012 1.00 4.06 C ATOM 0 H ILE B 54 33.514 10.872 10.541 1.00 2.38 H new ATOM 0 HA ILE B 54 36.144 11.849 10.985 1.00 2.89 H new ATOM 0 HB ILE B 54 36.710 9.436 10.156 1.00 2.81 H new ATOM 0 HG12 ILE B 54 33.725 9.097 10.568 1.00 3.38 H new ATOM 0 HG13 ILE B 54 34.460 9.236 8.983 1.00 3.38 H new ATOM 0 HG21 ILE B 54 36.004 8.488 12.321 1.00 3.37 H new ATOM 0 HG22 ILE B 54 36.694 10.118 12.509 1.00 3.37 H new ATOM 0 HG23 ILE B 54 34.931 9.885 12.577 1.00 3.37 H new ATOM 0 HD11 ILE B 54 34.089 6.892 9.575 1.00 4.06 H new ATOM 0 HD12 ILE B 54 35.830 7.231 9.427 1.00 4.06 H new ATOM 0 HD13 ILE B 54 35.083 7.090 11.037 1.00 4.06 H new ATOM 1687 N LYS B 55 37.190 12.179 8.746 1.00 4.76 N ATOM 1688 CA LYS B 55 37.756 12.503 7.442 1.00 5.93 C ATOM 1689 C LYS B 55 39.281 12.499 7.494 1.00 6.65 C ATOM 1690 O LYS B 55 39.905 13.080 6.581 1.00 7.05 O ATOM 1691 CB LYS B 55 37.254 13.869 6.966 1.00 6.51 C ATOM 1692 CG LYS B 55 37.186 14.914 8.068 1.00 7.03 C ATOM 1693 CD LYS B 55 38.570 15.419 8.445 1.00 7.80 C ATOM 1694 CE LYS B 55 39.036 14.833 9.768 1.00 8.52 C ATOM 1695 NZ LYS B 55 38.053 15.075 10.860 1.00 9.19 N ATOM 1696 OXT LYS B 55 39.838 11.914 8.447 1.00 7.09 O ATOM 0 H LYS B 55 37.750 12.493 9.539 1.00 4.76 H new ATOM 0 HA LYS B 55 37.432 11.739 6.735 1.00 5.93 H new ATOM 0 HB2 LYS B 55 37.910 14.231 6.174 1.00 6.51 H new ATOM 0 HB3 LYS B 55 36.263 13.750 6.529 1.00 6.51 H new ATOM 0 HG2 LYS B 55 36.569 15.751 7.740 1.00 7.03 H new ATOM 0 HG3 LYS B 55 36.702 14.487 8.946 1.00 7.03 H new ATOM 0 HD2 LYS B 55 39.280 15.158 7.660 1.00 7.80 H new ATOM 0 HD3 LYS B 55 38.555 16.507 8.513 1.00 7.80 H new ATOM 0 HE2 LYS B 55 39.195 13.761 9.654 1.00 8.52 H new ATOM 0 HE3 LYS B 55 39.996 15.271 10.041 1.00 8.52 H new ATOM 0 HZ1 LYS B 55 38.557 15.179 11.764 1.00 9.19 H new ATOM 0 HZ2 LYS B 55 37.518 15.944 10.659 1.00 9.19 H new ATOM 0 HZ3 LYS B 55 37.396 14.271 10.921 1.00 9.19 H new TER 1710 LYS B 55 ATOM 1711 N GLY C 1 -52.343 -8.502 -8.926 1.00 12.26 N ATOM 1712 CA GLY C 1 -52.040 -8.400 -7.472 1.00 11.80 C ATOM 1713 C GLY C 1 -51.644 -9.733 -6.867 1.00 11.17 C ATOM 1714 O GLY C 1 -52.503 -10.528 -6.485 1.00 11.38 O ATOM 0 H1 GLY C 1 -52.608 -7.565 -9.292 1.00 12.26 H new ATOM 0 H2 GLY C 1 -51.502 -8.846 -9.432 1.00 12.26 H new ATOM 0 H3 GLY C 1 -53.130 -9.166 -9.071 1.00 12.26 H new ATOM 0 HA2 GLY C 1 -51.233 -7.682 -7.322 1.00 11.80 H new ATOM 0 HA3 GLY C 1 -52.914 -8.012 -6.948 1.00 11.80 H new ATOM 1720 N SER C 2 -50.341 -9.978 -6.780 1.00 10.59 N ATOM 1721 CA SER C 2 -49.834 -11.224 -6.218 1.00 10.15 C ATOM 1722 C SER C 2 -48.312 -11.197 -6.121 1.00 9.08 C ATOM 1723 O SER C 2 -47.751 -11.047 -5.036 1.00 8.94 O ATOM 1724 CB SER C 2 -50.282 -12.412 -7.070 1.00 10.75 C ATOM 1725 OG SER C 2 -49.528 -13.573 -6.766 1.00 11.21 O ATOM 0 H SER C 2 -49.617 -9.330 -7.091 1.00 10.59 H new ATOM 0 HA SER C 2 -50.242 -11.333 -5.213 1.00 10.15 H new ATOM 0 HB2 SER C 2 -51.341 -12.607 -6.899 1.00 10.75 H new ATOM 0 HB3 SER C 2 -50.170 -12.168 -8.126 1.00 10.75 H new ATOM 0 HG SER C 2 -48.726 -13.599 -7.329 1.00 11.21 H new ATOM 1731 N HIS C 3 -47.649 -11.344 -7.264 1.00 8.51 N ATOM 1732 CA HIS C 3 -46.191 -11.336 -7.308 1.00 7.59 C ATOM 1733 C HIS C 3 -45.661 -9.916 -7.475 1.00 7.15 C ATOM 1734 O HIS C 3 -45.454 -9.447 -8.594 1.00 7.37 O ATOM 1735 CB HIS C 3 -45.690 -12.218 -8.452 1.00 7.63 C ATOM 1736 CG HIS C 3 -46.201 -13.624 -8.392 1.00 7.69 C ATOM 1737 ND1 HIS C 3 -46.372 -14.313 -7.209 1.00 7.92 N ATOM 1738 CD2 HIS C 3 -46.580 -14.473 -9.376 1.00 7.88 C ATOM 1739 CE1 HIS C 3 -46.833 -15.523 -7.469 1.00 8.21 C ATOM 1740 NE2 HIS C 3 -46.969 -15.645 -8.776 1.00 8.20 N ATOM 0 H HIS C 3 -48.098 -11.470 -8.171 1.00 8.51 H new ATOM 0 HA HIS C 3 -45.821 -11.734 -6.363 1.00 7.59 H new ATOM 0 HB2 HIS C 3 -45.988 -11.772 -9.401 1.00 7.63 H new ATOM 0 HB3 HIS C 3 -44.600 -12.235 -8.436 1.00 7.63 H new ATOM 0 HD2 HIS C 3 -46.577 -14.267 -10.436 1.00 7.88 H new ATOM 0 HE1 HIS C 3 -47.060 -16.283 -6.736 1.00 8.21 H new ATOM 0 HE2 HIS C 3 -47.308 -16.475 -9.262 1.00 8.20 H new ATOM 1749 N THR C 4 -45.444 -9.236 -6.354 1.00 6.72 N ATOM 1750 CA THR C 4 -44.939 -7.868 -6.375 1.00 6.39 C ATOM 1751 C THR C 4 -43.454 -7.831 -6.027 1.00 5.36 C ATOM 1752 O THR C 4 -42.924 -8.764 -5.425 1.00 5.23 O ATOM 1753 CB THR C 4 -45.725 -6.996 -5.394 1.00 7.08 C ATOM 1754 OG1 THR C 4 -47.109 -7.285 -5.465 1.00 7.48 O ATOM 1755 CG2 THR C 4 -45.551 -5.513 -5.641 1.00 7.67 C ATOM 0 H THR C 4 -45.610 -9.610 -5.420 1.00 6.72 H new ATOM 0 HA THR C 4 -45.068 -7.476 -7.384 1.00 6.39 H new ATOM 0 HB THR C 4 -45.323 -7.233 -4.409 1.00 7.08 H new ATOM 0 HG1 THR C 4 -47.595 -6.718 -4.830 1.00 7.48 H new ATOM 0 HG21 THR C 4 -46.135 -4.952 -4.911 1.00 7.67 H new ATOM 0 HG22 THR C 4 -44.498 -5.249 -5.544 1.00 7.67 H new ATOM 0 HG23 THR C 4 -45.895 -5.269 -6.646 1.00 7.67 H new ATOM 1763 N SER C 5 -42.789 -6.746 -6.410 1.00 4.84 N ATOM 1764 CA SER C 5 -41.366 -6.587 -6.138 1.00 3.89 C ATOM 1765 C SER C 5 -41.089 -5.258 -5.438 1.00 3.63 C ATOM 1766 O SER C 5 -41.671 -4.231 -5.788 1.00 3.91 O ATOM 1767 CB SER C 5 -40.564 -6.668 -7.438 1.00 3.77 C ATOM 1768 OG SER C 5 -40.595 -5.433 -8.134 1.00 4.47 O ATOM 0 H SER C 5 -43.213 -5.964 -6.910 1.00 4.84 H new ATOM 0 HA SER C 5 -41.057 -7.397 -5.477 1.00 3.89 H new ATOM 0 HB2 SER C 5 -39.532 -6.938 -7.216 1.00 3.77 H new ATOM 0 HB3 SER C 5 -40.971 -7.456 -8.071 1.00 3.77 H new ATOM 0 HG SER C 5 -40.074 -5.510 -8.960 1.00 4.47 H new ATOM 1774 N PRO C 6 -40.192 -5.258 -4.435 1.00 3.34 N ATOM 1775 CA PRO C 6 -39.842 -4.045 -3.689 1.00 3.39 C ATOM 1776 C PRO C 6 -38.947 -3.110 -4.496 1.00 3.24 C ATOM 1777 O PRO C 6 -38.814 -3.258 -5.711 1.00 3.22 O ATOM 1778 CB PRO C 6 -39.092 -4.591 -2.474 1.00 3.44 C ATOM 1779 CG PRO C 6 -38.482 -5.862 -2.951 1.00 3.39 C ATOM 1780 CD PRO C 6 -39.448 -6.438 -3.951 1.00 3.29 C ATOM 0 HA PRO C 6 -40.718 -3.448 -3.435 1.00 3.39 H new ATOM 0 HB2 PRO C 6 -38.331 -3.891 -2.130 1.00 3.44 H new ATOM 0 HB3 PRO C 6 -39.767 -4.765 -1.636 1.00 3.44 H new ATOM 0 HG2 PRO C 6 -37.510 -5.680 -3.408 1.00 3.39 H new ATOM 0 HG3 PRO C 6 -38.321 -6.552 -2.123 1.00 3.39 H new ATOM 0 HD2 PRO C 6 -38.928 -6.945 -4.764 1.00 3.29 H new ATOM 0 HD3 PRO C 6 -40.112 -7.170 -3.491 1.00 3.29 H new ATOM 1788 N ASP C 7 -38.332 -2.150 -3.813 1.00 3.41 N ATOM 1789 CA ASP C 7 -37.448 -1.195 -4.470 1.00 3.53 C ATOM 1790 C ASP C 7 -36.029 -1.747 -4.548 1.00 3.08 C ATOM 1791 O ASP C 7 -35.357 -1.906 -3.529 1.00 3.35 O ATOM 1792 CB ASP C 7 -37.450 0.137 -3.717 1.00 4.24 C ATOM 1793 CG ASP C 7 -38.700 0.951 -3.985 1.00 4.73 C ATOM 1794 OD1 ASP C 7 -39.328 0.744 -5.045 1.00 5.05 O ATOM 1795 OD2 ASP C 7 -39.053 1.795 -3.135 1.00 5.18 O ATOM 0 H ASP C 7 -38.429 -2.013 -2.807 1.00 3.41 H new ATOM 0 HA ASP C 7 -37.815 -1.028 -5.483 1.00 3.53 H new ATOM 0 HB2 ASP C 7 -37.366 -0.054 -2.647 1.00 4.24 H new ATOM 0 HB3 ASP C 7 -36.573 0.716 -4.007 1.00 4.24 H new ATOM 1800 N VAL C 8 -35.582 -2.045 -5.763 1.00 2.60 N ATOM 1801 CA VAL C 8 -34.246 -2.587 -5.970 1.00 2.23 C ATOM 1802 C VAL C 8 -33.227 -1.476 -6.212 1.00 2.23 C ATOM 1803 O VAL C 8 -33.009 -1.051 -7.346 1.00 2.32 O ATOM 1804 CB VAL C 8 -34.221 -3.573 -7.157 1.00 1.98 C ATOM 1805 CG1 VAL C 8 -34.648 -2.882 -8.443 1.00 2.80 C ATOM 1806 CG2 VAL C 8 -32.840 -4.197 -7.308 1.00 2.36 C ATOM 0 H VAL C 8 -36.125 -1.920 -6.618 1.00 2.60 H new ATOM 0 HA VAL C 8 -33.975 -3.121 -5.059 1.00 2.23 H new ATOM 0 HB VAL C 8 -34.934 -4.372 -6.952 1.00 1.98 H new ATOM 0 HG11 VAL C 8 -34.623 -3.597 -9.266 1.00 2.80 H new ATOM 0 HG12 VAL C 8 -35.661 -2.495 -8.329 1.00 2.80 H new ATOM 0 HG13 VAL C 8 -33.967 -2.058 -8.657 1.00 2.80 H new ATOM 0 HG21 VAL C 8 -32.843 -4.889 -8.150 1.00 2.36 H new ATOM 0 HG22 VAL C 8 -32.104 -3.413 -7.486 1.00 2.36 H new ATOM 0 HG23 VAL C 8 -32.583 -4.736 -6.396 1.00 2.36 H new ATOM 1816 N ASP C 9 -32.600 -1.016 -5.135 1.00 2.32 N ATOM 1817 CA ASP C 9 -31.596 0.037 -5.225 1.00 2.39 C ATOM 1818 C ASP C 9 -30.200 -0.567 -5.321 1.00 1.87 C ATOM 1819 O ASP C 9 -29.608 -0.945 -4.312 1.00 1.64 O ATOM 1820 CB ASP C 9 -31.684 0.964 -4.012 1.00 2.89 C ATOM 1821 CG ASP C 9 -33.005 1.705 -3.944 1.00 3.42 C ATOM 1822 OD1 ASP C 9 -33.281 2.511 -4.857 1.00 3.76 O ATOM 1823 OD2 ASP C 9 -33.764 1.479 -2.977 1.00 3.95 O ATOM 0 H ASP C 9 -32.770 -1.356 -4.189 1.00 2.32 H new ATOM 0 HA ASP C 9 -31.789 0.620 -6.126 1.00 2.39 H new ATOM 0 HB2 ASP C 9 -31.551 0.380 -3.101 1.00 2.89 H new ATOM 0 HB3 ASP C 9 -30.868 1.685 -4.050 1.00 2.89 H new ATOM 1828 N LEU C 10 -29.682 -0.661 -6.540 1.00 1.87 N ATOM 1829 CA LEU C 10 -28.358 -1.229 -6.762 1.00 1.57 C ATOM 1830 C LEU C 10 -27.265 -0.225 -6.412 1.00 1.50 C ATOM 1831 O LEU C 10 -26.179 -0.604 -5.973 1.00 1.41 O ATOM 1832 CB LEU C 10 -28.213 -1.673 -8.218 1.00 1.94 C ATOM 1833 CG LEU C 10 -28.490 -0.582 -9.257 1.00 2.78 C ATOM 1834 CD1 LEU C 10 -27.190 -0.078 -9.864 1.00 3.41 C ATOM 1835 CD2 LEU C 10 -29.421 -1.102 -10.343 1.00 3.40 C ATOM 0 H LEU C 10 -30.157 -0.352 -7.388 1.00 1.87 H new ATOM 0 HA LEU C 10 -28.247 -2.095 -6.110 1.00 1.57 H new ATOM 0 HB2 LEU C 10 -27.201 -2.049 -8.369 1.00 1.94 H new ATOM 0 HB3 LEU C 10 -28.893 -2.506 -8.398 1.00 1.94 H new ATOM 0 HG LEU C 10 -28.980 0.252 -8.755 1.00 2.78 H new ATOM 0 HD11 LEU C 10 -27.408 0.696 -10.600 1.00 3.41 H new ATOM 0 HD12 LEU C 10 -26.558 0.336 -9.078 1.00 3.41 H new ATOM 0 HD13 LEU C 10 -26.671 -0.904 -10.350 1.00 3.41 H new ATOM 0 HD21 LEU C 10 -29.606 -0.313 -11.072 1.00 3.40 H new ATOM 0 HD22 LEU C 10 -28.959 -1.955 -10.841 1.00 3.40 H new ATOM 0 HD23 LEU C 10 -30.365 -1.411 -9.895 1.00 3.40 H new ATOM 1847 N GLY C 11 -27.559 1.054 -6.606 1.00 1.75 N ATOM 1848 CA GLY C 11 -26.590 2.090 -6.301 1.00 1.79 C ATOM 1849 C GLY C 11 -26.549 2.434 -4.823 1.00 1.62 C ATOM 1850 O GLY C 11 -25.633 3.116 -4.365 1.00 1.80 O ATOM 0 H GLY C 11 -28.450 1.393 -6.969 1.00 1.75 H new ATOM 0 HA2 GLY C 11 -25.601 1.763 -6.622 1.00 1.79 H new ATOM 0 HA3 GLY C 11 -26.830 2.987 -6.872 1.00 1.79 H new ATOM 1854 N ASP C 12 -27.545 1.965 -4.074 1.00 1.60 N ATOM 1855 CA ASP C 12 -27.615 2.234 -2.642 1.00 1.77 C ATOM 1856 C ASP C 12 -27.201 1.010 -1.829 1.00 1.63 C ATOM 1857 O ASP C 12 -26.451 1.125 -0.860 1.00 1.88 O ATOM 1858 CB ASP C 12 -29.031 2.662 -2.253 1.00 2.20 C ATOM 1859 CG ASP C 12 -29.496 3.885 -3.019 1.00 2.76 C ATOM 1860 OD1 ASP C 12 -28.635 4.695 -3.423 1.00 3.34 O ATOM 1861 OD2 ASP C 12 -30.721 4.033 -3.215 1.00 3.13 O ATOM 0 H ASP C 12 -28.312 1.398 -4.435 1.00 1.60 H new ATOM 0 HA ASP C 12 -26.920 3.043 -2.419 1.00 1.77 H new ATOM 0 HB2 ASP C 12 -29.720 1.838 -2.437 1.00 2.20 H new ATOM 0 HB3 ASP C 12 -29.063 2.872 -1.184 1.00 2.20 H new ATOM 1866 N ILE C 13 -27.697 -0.160 -2.223 1.00 1.35 N ATOM 1867 CA ILE C 13 -27.378 -1.399 -1.521 1.00 1.28 C ATOM 1868 C ILE C 13 -25.873 -1.629 -1.455 1.00 1.16 C ATOM 1869 O ILE C 13 -25.364 -2.194 -0.487 1.00 1.31 O ATOM 1870 CB ILE C 13 -28.041 -2.620 -2.186 1.00 1.19 C ATOM 1871 CG1 ILE C 13 -27.580 -2.762 -3.641 1.00 1.21 C ATOM 1872 CG2 ILE C 13 -29.556 -2.509 -2.109 1.00 1.83 C ATOM 1873 CD1 ILE C 13 -26.707 -3.974 -3.882 1.00 1.53 C ATOM 0 H ILE C 13 -28.320 -0.276 -3.023 1.00 1.35 H new ATOM 0 HA ILE C 13 -27.772 -1.289 -0.510 1.00 1.28 H new ATOM 0 HB ILE C 13 -27.734 -3.515 -1.645 1.00 1.19 H new ATOM 0 HG12 ILE C 13 -28.456 -2.821 -4.287 1.00 1.21 H new ATOM 0 HG13 ILE C 13 -27.031 -1.866 -3.929 1.00 1.21 H new ATOM 0 HG21 ILE C 13 -30.009 -3.379 -2.583 1.00 1.83 H new ATOM 0 HG22 ILE C 13 -29.865 -2.463 -1.065 1.00 1.83 H new ATOM 0 HG23 ILE C 13 -29.881 -1.605 -2.624 1.00 1.83 H new ATOM 0 HD11 ILE C 13 -26.418 -4.011 -4.932 1.00 1.53 H new ATOM 0 HD12 ILE C 13 -25.813 -3.908 -3.262 1.00 1.53 H new ATOM 0 HD13 ILE C 13 -27.260 -4.878 -3.626 1.00 1.53 H new ATOM 1885 N SER C 14 -25.164 -1.188 -2.488 1.00 1.01 N ATOM 1886 CA SER C 14 -23.718 -1.347 -2.541 1.00 0.99 C ATOM 1887 C SER C 14 -23.041 -0.458 -1.504 1.00 1.11 C ATOM 1888 O SER C 14 -22.607 -0.930 -0.453 1.00 1.23 O ATOM 1889 CB SER C 14 -23.197 -1.011 -3.941 1.00 1.00 C ATOM 1890 OG SER C 14 -23.125 -2.172 -4.751 1.00 1.57 O ATOM 0 H SER C 14 -25.568 -0.718 -3.298 1.00 1.01 H new ATOM 0 HA SER C 14 -23.480 -2.386 -2.316 1.00 0.99 H new ATOM 0 HB2 SER C 14 -23.852 -0.277 -4.410 1.00 1.00 H new ATOM 0 HB3 SER C 14 -22.210 -0.555 -3.865 1.00 1.00 H new ATOM 0 HG SER C 14 -22.791 -1.930 -5.640 1.00 1.57 H new ATOM 1896 N GLY C 15 -22.957 0.831 -1.810 1.00 1.17 N ATOM 1897 CA GLY C 15 -22.336 1.776 -0.900 1.00 1.34 C ATOM 1898 C GLY C 15 -20.832 1.596 -0.792 1.00 1.28 C ATOM 1899 O GLY C 15 -20.181 2.255 0.019 1.00 1.42 O ATOM 0 H GLY C 15 -23.309 1.240 -2.675 1.00 1.17 H new ATOM 0 HA2 GLY C 15 -22.552 2.790 -1.236 1.00 1.34 H new ATOM 0 HA3 GLY C 15 -22.781 1.666 0.089 1.00 1.34 H new ATOM 1903 N ILE C 16 -20.275 0.705 -1.609 1.00 1.10 N ATOM 1904 CA ILE C 16 -18.840 0.450 -1.594 1.00 1.09 C ATOM 1905 C ILE C 16 -18.117 1.256 -2.669 1.00 1.05 C ATOM 1906 O ILE C 16 -16.900 1.431 -2.609 1.00 1.02 O ATOM 1907 CB ILE C 16 -18.529 -1.047 -1.789 1.00 1.11 C ATOM 1908 CG1 ILE C 16 -19.088 -1.545 -3.124 1.00 1.25 C ATOM 1909 CG2 ILE C 16 -19.097 -1.858 -0.635 1.00 1.62 C ATOM 1910 CD1 ILE C 16 -18.087 -1.494 -4.257 1.00 2.04 C ATOM 0 H ILE C 16 -20.796 0.149 -2.288 1.00 1.10 H new ATOM 0 HA ILE C 16 -18.480 0.762 -0.614 1.00 1.09 H new ATOM 0 HB ILE C 16 -17.447 -1.176 -1.804 1.00 1.11 H new ATOM 0 HG12 ILE C 16 -19.435 -2.571 -3.003 1.00 1.25 H new ATOM 0 HG13 ILE C 16 -19.957 -0.944 -3.391 1.00 1.25 H new ATOM 0 HG21 ILE C 16 -18.870 -2.913 -0.786 1.00 1.62 H new ATOM 0 HG22 ILE C 16 -18.651 -1.521 0.301 1.00 1.62 H new ATOM 0 HG23 ILE C 16 -20.178 -1.722 -0.592 1.00 1.62 H new ATOM 0 HD11 ILE C 16 -18.553 -1.862 -5.171 1.00 2.04 H new ATOM 0 HD12 ILE C 16 -17.758 -0.466 -4.406 1.00 2.04 H new ATOM 0 HD13 ILE C 16 -17.228 -2.118 -4.012 1.00 2.04 H new ATOM 1922 N ASN C 17 -18.869 1.746 -3.654 1.00 1.12 N ATOM 1923 CA ASN C 17 -18.289 2.533 -4.738 1.00 1.23 C ATOM 1924 C ASN C 17 -17.378 3.628 -4.189 1.00 1.31 C ATOM 1925 O ASN C 17 -16.237 3.779 -4.627 1.00 1.32 O ATOM 1926 CB ASN C 17 -19.394 3.155 -5.594 1.00 1.42 C ATOM 1927 CG ASN C 17 -18.843 3.911 -6.787 1.00 1.89 C ATOM 1928 OD1 ASN C 17 -17.744 3.628 -7.264 1.00 2.49 O ATOM 1929 ND2 ASN C 17 -19.606 4.882 -7.276 1.00 2.58 N ATOM 0 H ASN C 17 -19.878 1.612 -3.722 1.00 1.12 H new ATOM 0 HA ASN C 17 -17.692 1.865 -5.358 1.00 1.23 H new ATOM 0 HB2 ASN C 17 -20.065 2.370 -5.943 1.00 1.42 H new ATOM 0 HB3 ASN C 17 -19.988 3.833 -4.980 1.00 1.42 H new ATOM 0 HD21 ASN C 17 -19.287 5.426 -8.078 1.00 2.58 H new ATOM 0 HD22 ASN C 17 -20.511 5.083 -6.850 1.00 2.58 H new ATOM 1936 N ALA C 18 -17.888 4.382 -3.221 1.00 1.41 N ATOM 1937 CA ALA C 18 -17.118 5.455 -2.606 1.00 1.55 C ATOM 1938 C ALA C 18 -15.886 4.899 -1.902 1.00 1.42 C ATOM 1939 O ALA C 18 -14.852 5.561 -1.821 1.00 1.49 O ATOM 1940 CB ALA C 18 -17.984 6.232 -1.626 1.00 1.73 C ATOM 0 H ALA C 18 -18.830 4.270 -2.846 1.00 1.41 H new ATOM 0 HA ALA C 18 -16.786 6.133 -3.392 1.00 1.55 H new ATOM 0 HB1 ALA C 18 -17.395 7.030 -1.174 1.00 1.73 H new ATOM 0 HB2 ALA C 18 -18.835 6.663 -2.154 1.00 1.73 H new ATOM 0 HB3 ALA C 18 -18.343 5.560 -0.846 1.00 1.73 H new ATOM 1946 N SER C 19 -16.004 3.673 -1.399 1.00 1.26 N ATOM 1947 CA SER C 19 -14.900 3.021 -0.706 1.00 1.16 C ATOM 1948 C SER C 19 -13.818 2.600 -1.694 1.00 1.01 C ATOM 1949 O SER C 19 -12.626 2.744 -1.422 1.00 1.02 O ATOM 1950 CB SER C 19 -15.404 1.802 0.069 1.00 1.11 C ATOM 1951 OG SER C 19 -16.246 2.189 1.140 1.00 1.75 O ATOM 0 H SER C 19 -16.854 3.112 -1.459 1.00 1.26 H new ATOM 0 HA SER C 19 -14.470 3.734 -0.003 1.00 1.16 H new ATOM 0 HB2 SER C 19 -15.948 1.139 -0.604 1.00 1.11 H new ATOM 0 HB3 SER C 19 -14.556 1.237 0.456 1.00 1.11 H new ATOM 0 HG SER C 19 -16.555 1.391 1.618 1.00 1.75 H new ATOM 1957 N VAL C 20 -14.241 2.084 -2.845 1.00 0.94 N ATOM 1958 CA VAL C 20 -13.308 1.647 -3.876 1.00 0.91 C ATOM 1959 C VAL C 20 -12.382 2.785 -4.290 1.00 1.04 C ATOM 1960 O VAL C 20 -11.164 2.621 -4.342 1.00 1.01 O ATOM 1961 CB VAL C 20 -14.046 1.124 -5.123 1.00 0.98 C ATOM 1962 CG1 VAL C 20 -13.074 0.446 -6.076 1.00 1.66 C ATOM 1963 CG2 VAL C 20 -15.163 0.172 -4.723 1.00 1.51 C ATOM 0 H VAL C 20 -15.224 1.959 -3.086 1.00 0.94 H new ATOM 0 HA VAL C 20 -12.720 0.835 -3.447 1.00 0.91 H new ATOM 0 HB VAL C 20 -14.492 1.974 -5.640 1.00 0.98 H new ATOM 0 HG11 VAL C 20 -13.615 0.084 -6.950 1.00 1.66 H new ATOM 0 HG12 VAL C 20 -12.314 1.161 -6.390 1.00 1.66 H new ATOM 0 HG13 VAL C 20 -12.596 -0.393 -5.571 1.00 1.66 H new ATOM 0 HG21 VAL C 20 -15.673 -0.187 -5.617 1.00 1.51 H new ATOM 0 HG22 VAL C 20 -14.743 -0.675 -4.180 1.00 1.51 H new ATOM 0 HG23 VAL C 20 -15.875 0.695 -4.084 1.00 1.51 H new ATOM 1973 N VAL C 21 -12.970 3.942 -4.576 1.00 1.22 N ATOM 1974 CA VAL C 21 -12.196 5.109 -4.975 1.00 1.41 C ATOM 1975 C VAL C 21 -11.269 5.550 -3.848 1.00 1.40 C ATOM 1976 O VAL C 21 -10.115 5.909 -4.082 1.00 1.46 O ATOM 1977 CB VAL C 21 -13.110 6.286 -5.367 1.00 1.63 C ATOM 1978 CG1 VAL C 21 -12.289 7.440 -5.924 1.00 2.19 C ATOM 1979 CG2 VAL C 21 -14.161 5.838 -6.371 1.00 2.13 C ATOM 0 H VAL C 21 -13.978 4.095 -4.539 1.00 1.22 H new ATOM 0 HA VAL C 21 -11.604 4.821 -5.844 1.00 1.41 H new ATOM 0 HB VAL C 21 -13.623 6.635 -4.471 1.00 1.63 H new ATOM 0 HG11 VAL C 21 -12.953 8.261 -6.195 1.00 2.19 H new ATOM 0 HG12 VAL C 21 -11.580 7.780 -5.169 1.00 2.19 H new ATOM 0 HG13 VAL C 21 -11.745 7.106 -6.808 1.00 2.19 H new ATOM 0 HG21 VAL C 21 -14.796 6.684 -6.635 1.00 2.13 H new ATOM 0 HG22 VAL C 21 -13.670 5.460 -7.267 1.00 2.13 H new ATOM 0 HG23 VAL C 21 -14.771 5.049 -5.931 1.00 2.13 H new ATOM 1989 N ASN C 22 -11.785 5.517 -2.623 1.00 1.39 N ATOM 1990 CA ASN C 22 -11.008 5.908 -1.453 1.00 1.45 C ATOM 1991 C ASN C 22 -9.790 5.007 -1.281 1.00 1.26 C ATOM 1992 O ASN C 22 -8.666 5.489 -1.137 1.00 1.30 O ATOM 1993 CB ASN C 22 -11.875 5.852 -0.196 1.00 1.54 C ATOM 1994 CG ASN C 22 -12.808 7.043 -0.082 1.00 1.94 C ATOM 1995 OD1 ASN C 22 -13.291 7.566 -1.086 1.00 2.45 O ATOM 1996 ND2 ASN C 22 -13.064 7.477 1.146 1.00 2.37 N ATOM 0 H ASN C 22 -12.739 5.223 -2.415 1.00 1.39 H new ATOM 0 HA ASN C 22 -10.664 6.931 -1.605 1.00 1.45 H new ATOM 0 HB2 ASN C 22 -12.462 4.934 -0.204 1.00 1.54 H new ATOM 0 HB3 ASN C 22 -11.232 5.812 0.684 1.00 1.54 H new ATOM 0 HD21 ASN C 22 -13.684 8.275 1.286 1.00 2.37 H new ATOM 0 HD22 ASN C 22 -12.641 7.012 1.950 1.00 2.37 H new ATOM 2003 N ILE C 23 -10.019 3.696 -1.296 1.00 1.07 N ATOM 2004 CA ILE C 23 -8.934 2.736 -1.140 1.00 0.89 C ATOM 2005 C ILE C 23 -7.916 2.889 -2.264 1.00 0.88 C ATOM 2006 O ILE C 23 -6.714 2.731 -2.053 1.00 0.82 O ATOM 2007 CB ILE C 23 -9.457 1.284 -1.111 1.00 0.73 C ATOM 2008 CG1 ILE C 23 -8.307 0.306 -0.859 1.00 1.19 C ATOM 2009 CG2 ILE C 23 -10.173 0.943 -2.410 1.00 1.60 C ATOM 2010 CD1 ILE C 23 -7.792 0.333 0.564 1.00 1.65 C ATOM 0 H ILE C 23 -10.942 3.278 -1.414 1.00 1.07 H new ATOM 0 HA ILE C 23 -8.453 2.946 -0.185 1.00 0.89 H new ATOM 0 HB ILE C 23 -10.173 1.194 -0.294 1.00 0.73 H new ATOM 0 HG12 ILE C 23 -8.641 -0.704 -1.097 1.00 1.19 H new ATOM 0 HG13 ILE C 23 -7.487 0.539 -1.538 1.00 1.19 H new ATOM 0 HG21 ILE C 23 -10.533 -0.085 -2.368 1.00 1.60 H new ATOM 0 HG22 ILE C 23 -11.017 1.618 -2.548 1.00 1.60 H new ATOM 0 HG23 ILE C 23 -9.482 1.051 -3.246 1.00 1.60 H new ATOM 0 HD11 ILE C 23 -6.978 -0.385 0.670 1.00 1.65 H new ATOM 0 HD12 ILE C 23 -7.427 1.333 0.800 1.00 1.65 H new ATOM 0 HD13 ILE C 23 -8.599 0.070 1.248 1.00 1.65 H new ATOM 2022 N GLN C 24 -8.405 3.213 -3.457 1.00 0.98 N ATOM 2023 CA GLN C 24 -7.534 3.404 -4.609 1.00 1.09 C ATOM 2024 C GLN C 24 -6.567 4.553 -4.351 1.00 1.21 C ATOM 2025 O GLN C 24 -5.352 4.399 -4.479 1.00 1.18 O ATOM 2026 CB GLN C 24 -8.362 3.687 -5.864 1.00 1.27 C ATOM 2027 CG GLN C 24 -7.664 3.290 -7.155 1.00 1.47 C ATOM 2028 CD GLN C 24 -8.519 3.540 -8.381 1.00 1.78 C ATOM 2029 OE1 GLN C 24 -9.169 4.579 -8.497 1.00 2.40 O ATOM 2030 NE2 GLN C 24 -8.523 2.586 -9.305 1.00 2.17 N ATOM 0 H GLN C 24 -9.397 3.348 -3.650 1.00 0.98 H new ATOM 0 HA GLN C 24 -6.963 2.489 -4.767 1.00 1.09 H new ATOM 0 HB2 GLN C 24 -9.309 3.152 -5.793 1.00 1.27 H new ATOM 0 HB3 GLN C 24 -8.599 4.750 -5.901 1.00 1.27 H new ATOM 0 HG2 GLN C 24 -6.732 3.848 -7.246 1.00 1.47 H new ATOM 0 HG3 GLN C 24 -7.399 2.234 -7.111 1.00 1.47 H new ATOM 0 HE21 GLN C 24 -7.969 1.741 -9.168 1.00 2.17 H new ATOM 0 HE22 GLN C 24 -9.080 2.699 -10.152 1.00 2.17 H new ATOM 2039 N LYS C 25 -7.117 5.702 -3.972 1.00 1.37 N ATOM 2040 CA LYS C 25 -6.309 6.877 -3.677 1.00 1.53 C ATOM 2041 C LYS C 25 -5.413 6.618 -2.465 1.00 1.41 C ATOM 2042 O LYS C 25 -4.370 7.255 -2.300 1.00 1.48 O ATOM 2043 CB LYS C 25 -7.218 8.091 -3.436 1.00 1.75 C ATOM 2044 CG LYS C 25 -6.643 9.127 -2.480 1.00 2.47 C ATOM 2045 CD LYS C 25 -6.927 8.760 -1.031 1.00 3.14 C ATOM 2046 CE LYS C 25 -7.539 9.924 -0.269 1.00 4.07 C ATOM 2047 NZ LYS C 25 -8.986 10.090 -0.575 1.00 4.68 N ATOM 0 H LYS C 25 -8.121 5.843 -3.862 1.00 1.37 H new ATOM 0 HA LYS C 25 -5.667 7.090 -4.532 1.00 1.53 H new ATOM 0 HB2 LYS C 25 -7.423 8.571 -4.393 1.00 1.75 H new ATOM 0 HB3 LYS C 25 -8.173 7.742 -3.043 1.00 1.75 H new ATOM 0 HG2 LYS C 25 -5.567 9.208 -2.633 1.00 2.47 H new ATOM 0 HG3 LYS C 25 -7.071 10.105 -2.700 1.00 2.47 H new ATOM 0 HD2 LYS C 25 -7.604 7.906 -0.997 1.00 3.14 H new ATOM 0 HD3 LYS C 25 -6.001 8.452 -0.545 1.00 3.14 H new ATOM 0 HE2 LYS C 25 -7.411 9.764 0.802 1.00 4.07 H new ATOM 0 HE3 LYS C 25 -7.007 10.842 -0.520 1.00 4.07 H new ATOM 0 HZ1 LYS C 25 -9.365 10.894 -0.035 1.00 4.68 H new ATOM 0 HZ2 LYS C 25 -9.107 10.268 -1.592 1.00 4.68 H new ATOM 0 HZ3 LYS C 25 -9.498 9.224 -0.311 1.00 4.68 H new ATOM 2061 N GLU C 26 -5.824 5.674 -1.623 1.00 1.24 N ATOM 2062 CA GLU C 26 -5.058 5.334 -0.433 1.00 1.16 C ATOM 2063 C GLU C 26 -3.736 4.691 -0.824 1.00 1.00 C ATOM 2064 O GLU C 26 -2.670 5.124 -0.383 1.00 1.01 O ATOM 2065 CB GLU C 26 -5.857 4.388 0.465 1.00 1.08 C ATOM 2066 CG GLU C 26 -5.542 4.543 1.944 1.00 1.37 C ATOM 2067 CD GLU C 26 -6.763 4.355 2.823 1.00 1.77 C ATOM 2068 OE1 GLU C 26 -7.719 3.688 2.376 1.00 2.40 O ATOM 2069 OE2 GLU C 26 -6.763 4.876 3.959 1.00 2.28 O ATOM 0 H GLU C 26 -6.681 5.134 -1.744 1.00 1.24 H new ATOM 0 HA GLU C 26 -4.854 6.251 0.120 1.00 1.16 H new ATOM 0 HB2 GLU C 26 -6.921 4.564 0.308 1.00 1.08 H new ATOM 0 HB3 GLU C 26 -5.656 3.359 0.165 1.00 1.08 H new ATOM 0 HG2 GLU C 26 -4.780 3.817 2.227 1.00 1.37 H new ATOM 0 HG3 GLU C 26 -5.121 5.533 2.120 1.00 1.37 H new ATOM 2076 N ILE C 27 -3.802 3.664 -1.668 1.00 0.88 N ATOM 2077 CA ILE C 27 -2.594 2.991 -2.119 1.00 0.77 C ATOM 2078 C ILE C 27 -1.664 3.992 -2.784 1.00 0.93 C ATOM 2079 O ILE C 27 -0.459 3.995 -2.540 1.00 0.90 O ATOM 2080 CB ILE C 27 -2.904 1.824 -3.083 1.00 0.72 C ATOM 2081 CG1 ILE C 27 -1.931 0.674 -2.832 1.00 0.60 C ATOM 2082 CG2 ILE C 27 -2.837 2.265 -4.541 1.00 0.91 C ATOM 2083 CD1 ILE C 27 -2.531 -0.688 -3.094 1.00 0.61 C ATOM 0 H ILE C 27 -4.670 3.286 -2.048 1.00 0.88 H new ATOM 0 HA ILE C 27 -2.105 2.564 -1.243 1.00 0.77 H new ATOM 0 HB ILE C 27 -3.922 1.487 -2.889 1.00 0.72 H new ATOM 0 HG12 ILE C 27 -1.054 0.805 -3.466 1.00 0.60 H new ATOM 0 HG13 ILE C 27 -1.586 0.718 -1.799 1.00 0.60 H new ATOM 0 HG21 ILE C 27 -3.061 1.417 -5.188 1.00 0.91 H new ATOM 0 HG22 ILE C 27 -3.565 3.057 -4.715 1.00 0.91 H new ATOM 0 HG23 ILE C 27 -1.837 2.637 -4.763 1.00 0.91 H new ATOM 0 HD11 ILE C 27 -1.786 -1.458 -2.896 1.00 0.61 H new ATOM 0 HD12 ILE C 27 -3.391 -0.839 -2.441 1.00 0.61 H new ATOM 0 HD13 ILE C 27 -2.850 -0.751 -4.134 1.00 0.61 H new ATOM 2095 N ASP C 28 -2.243 4.867 -3.603 1.00 1.11 N ATOM 2096 CA ASP C 28 -1.468 5.901 -4.272 1.00 1.30 C ATOM 2097 C ASP C 28 -0.688 6.684 -3.227 1.00 1.30 C ATOM 2098 O ASP C 28 0.441 7.115 -3.463 1.00 1.35 O ATOM 2099 CB ASP C 28 -2.385 6.836 -5.063 1.00 1.52 C ATOM 2100 CG ASP C 28 -2.503 6.433 -6.520 1.00 1.79 C ATOM 2101 OD1 ASP C 28 -3.028 5.331 -6.790 1.00 2.23 O ATOM 2102 OD2 ASP C 28 -2.072 7.217 -7.391 1.00 2.23 O ATOM 0 H ASP C 28 -3.240 4.879 -3.817 1.00 1.11 H new ATOM 0 HA ASP C 28 -0.776 5.437 -4.975 1.00 1.30 H new ATOM 0 HB2 ASP C 28 -3.376 6.839 -4.608 1.00 1.52 H new ATOM 0 HB3 ASP C 28 -2.002 7.855 -5.000 1.00 1.52 H new ATOM 2107 N ARG C 29 -1.302 6.838 -2.056 1.00 1.28 N ATOM 2108 CA ARG C 29 -0.673 7.538 -0.949 1.00 1.33 C ATOM 2109 C ARG C 29 0.544 6.757 -0.464 1.00 1.16 C ATOM 2110 O ARG C 29 1.564 7.344 -0.101 1.00 1.21 O ATOM 2111 CB ARG C 29 -1.669 7.732 0.197 1.00 1.39 C ATOM 2112 CG ARG C 29 -1.835 9.183 0.618 1.00 1.64 C ATOM 2113 CD ARG C 29 -2.967 9.347 1.619 1.00 2.01 C ATOM 2114 NE ARG C 29 -3.479 10.715 1.647 1.00 2.37 N ATOM 2115 CZ ARG C 29 -2.807 11.747 2.152 1.00 2.99 C ATOM 2116 NH1 ARG C 29 -1.598 11.572 2.671 1.00 3.47 N ATOM 2117 NH2 ARG C 29 -3.346 12.959 2.138 1.00 3.63 N ATOM 0 H ARG C 29 -2.237 6.485 -1.853 1.00 1.28 H new ATOM 0 HA ARG C 29 -0.349 8.520 -1.294 1.00 1.33 H new ATOM 0 HB2 ARG C 29 -2.639 7.336 -0.104 1.00 1.39 H new ATOM 0 HB3 ARG C 29 -1.340 7.148 1.057 1.00 1.39 H new ATOM 0 HG2 ARG C 29 -0.905 9.544 1.057 1.00 1.64 H new ATOM 0 HG3 ARG C 29 -2.033 9.797 -0.260 1.00 1.64 H new ATOM 0 HD2 ARG C 29 -3.776 8.662 1.366 1.00 2.01 H new ATOM 0 HD3 ARG C 29 -2.615 9.071 2.613 1.00 2.01 H new ATOM 0 HE ARG C 29 -4.405 10.889 1.257 1.00 2.37 H new ATOM 0 HH11 ARG C 29 -1.178 10.642 2.684 1.00 3.47 H new ATOM 0 HH12 ARG C 29 -1.088 12.367 3.056 1.00 3.47 H new ATOM 0 HH21 ARG C 29 -4.275 13.100 1.740 1.00 3.63 H new ATOM 0 HH22 ARG C 29 -2.832 13.750 2.525 1.00 3.63 H new ATOM 2131 N LEU C 30 0.441 5.426 -0.477 1.00 0.95 N ATOM 2132 CA LEU C 30 1.553 4.583 -0.052 1.00 0.79 C ATOM 2133 C LEU C 30 2.576 4.468 -1.174 1.00 0.79 C ATOM 2134 O LEU C 30 3.780 4.547 -0.939 1.00 0.84 O ATOM 2135 CB LEU C 30 1.071 3.192 0.369 1.00 0.64 C ATOM 2136 CG LEU C 30 0.022 3.172 1.486 1.00 0.68 C ATOM 2137 CD1 LEU C 30 -0.062 1.787 2.107 1.00 0.68 C ATOM 2138 CD2 LEU C 30 0.345 4.211 2.551 1.00 0.80 C ATOM 0 H LEU C 30 -0.391 4.917 -0.774 1.00 0.95 H new ATOM 0 HA LEU C 30 2.020 5.050 0.815 1.00 0.79 H new ATOM 0 HB2 LEU C 30 0.657 2.689 -0.505 1.00 0.64 H new ATOM 0 HB3 LEU C 30 1.933 2.609 0.693 1.00 0.64 H new ATOM 0 HG LEU C 30 -0.946 3.420 1.050 1.00 0.68 H new ATOM 0 HD11 LEU C 30 -0.811 1.788 2.899 1.00 0.68 H new ATOM 0 HD12 LEU C 30 -0.343 1.062 1.343 1.00 0.68 H new ATOM 0 HD13 LEU C 30 0.908 1.516 2.525 1.00 0.68 H new ATOM 0 HD21 LEU C 30 -0.413 4.178 3.333 1.00 0.80 H new ATOM 0 HD22 LEU C 30 1.322 3.997 2.984 1.00 0.80 H new ATOM 0 HD23 LEU C 30 0.358 5.203 2.100 1.00 0.80 H new ATOM 2150 N ASN C 31 2.093 4.304 -2.405 1.00 0.88 N ATOM 2151 CA ASN C 31 2.979 4.209 -3.559 1.00 0.96 C ATOM 2152 C ASN C 31 3.969 5.365 -3.533 1.00 1.04 C ATOM 2153 O ASN C 31 5.177 5.176 -3.686 1.00 1.03 O ATOM 2154 CB ASN C 31 2.172 4.233 -4.859 1.00 1.11 C ATOM 2155 CG ASN C 31 2.765 3.333 -5.925 1.00 1.45 C ATOM 2156 OD1 ASN C 31 2.064 2.521 -6.528 1.00 2.08 O ATOM 2157 ND2 ASN C 31 4.064 3.473 -6.163 1.00 1.99 N ATOM 0 H ASN C 31 1.100 4.235 -2.626 1.00 0.88 H new ATOM 0 HA ASN C 31 3.523 3.266 -3.513 1.00 0.96 H new ATOM 0 HB2 ASN C 31 1.148 3.922 -4.653 1.00 1.11 H new ATOM 0 HB3 ASN C 31 2.125 5.255 -5.235 1.00 1.11 H new ATOM 0 HD21 ASN C 31 4.518 2.894 -6.870 1.00 1.99 H new ATOM 0 HD22 ASN C 31 4.607 4.159 -5.639 1.00 1.99 H new ATOM 2164 N GLU C 32 3.442 6.562 -3.300 1.00 1.14 N ATOM 2165 CA GLU C 32 4.270 7.751 -3.211 1.00 1.26 C ATOM 2166 C GLU C 32 5.093 7.697 -1.932 1.00 1.13 C ATOM 2167 O GLU C 32 6.233 8.161 -1.892 1.00 1.15 O ATOM 2168 CB GLU C 32 3.404 9.012 -3.229 1.00 1.45 C ATOM 2169 CG GLU C 32 3.097 9.520 -4.628 1.00 1.86 C ATOM 2170 CD GLU C 32 2.778 11.002 -4.653 1.00 2.27 C ATOM 2171 OE1 GLU C 32 3.421 11.760 -3.898 1.00 2.68 O ATOM 2172 OE2 GLU C 32 1.885 11.404 -5.428 1.00 2.90 O ATOM 0 H GLU C 32 2.445 6.731 -3.170 1.00 1.14 H new ATOM 0 HA GLU C 32 4.938 7.785 -4.072 1.00 1.26 H new ATOM 0 HB2 GLU C 32 2.466 8.806 -2.713 1.00 1.45 H new ATOM 0 HB3 GLU C 32 3.910 9.798 -2.669 1.00 1.45 H new ATOM 0 HG2 GLU C 32 3.951 9.325 -5.277 1.00 1.86 H new ATOM 0 HG3 GLU C 32 2.253 8.963 -5.036 1.00 1.86 H new ATOM 2179 N VAL C 33 4.509 7.108 -0.887 1.00 1.03 N ATOM 2180 CA VAL C 33 5.195 6.974 0.388 1.00 0.96 C ATOM 2181 C VAL C 33 6.465 6.148 0.212 1.00 0.80 C ATOM 2182 O VAL C 33 7.513 6.484 0.760 1.00 0.81 O ATOM 2183 CB VAL C 33 4.270 6.361 1.478 1.00 0.94 C ATOM 2184 CG1 VAL C 33 4.539 4.876 1.718 1.00 0.86 C ATOM 2185 CG2 VAL C 33 4.404 7.139 2.779 1.00 1.19 C ATOM 0 H VAL C 33 3.566 6.719 -0.903 1.00 1.03 H new ATOM 0 HA VAL C 33 5.471 7.971 0.732 1.00 0.96 H new ATOM 0 HB VAL C 33 3.248 6.440 1.108 1.00 0.94 H new ATOM 0 HG11 VAL C 33 3.864 4.504 2.488 1.00 0.86 H new ATOM 0 HG12 VAL C 33 4.375 4.322 0.793 1.00 0.86 H new ATOM 0 HG13 VAL C 33 5.570 4.741 2.043 1.00 0.86 H new ATOM 0 HG21 VAL C 33 3.752 6.700 3.534 1.00 1.19 H new ATOM 0 HG22 VAL C 33 5.437 7.097 3.123 1.00 1.19 H new ATOM 0 HG23 VAL C 33 4.119 8.178 2.613 1.00 1.19 H new ATOM 2195 N ALA C 34 6.373 5.084 -0.586 1.00 0.69 N ATOM 2196 CA ALA C 34 7.530 4.242 -0.854 1.00 0.60 C ATOM 2197 C ALA C 34 8.553 5.026 -1.663 1.00 0.73 C ATOM 2198 O ALA C 34 9.759 4.855 -1.497 1.00 0.72 O ATOM 2199 CB ALA C 34 7.131 2.972 -1.591 1.00 0.56 C ATOM 0 H ALA C 34 5.515 4.790 -1.053 1.00 0.69 H new ATOM 0 HA ALA C 34 7.970 3.946 0.098 1.00 0.60 H new ATOM 0 HB1 ALA C 34 8.017 2.365 -1.776 1.00 0.56 H new ATOM 0 HB2 ALA C 34 6.424 2.406 -0.984 1.00 0.56 H new ATOM 0 HB3 ALA C 34 6.666 3.234 -2.541 1.00 0.56 H new ATOM 2205 N LYS C 35 8.053 5.902 -2.536 1.00 0.90 N ATOM 2206 CA LYS C 35 8.916 6.732 -3.369 1.00 1.06 C ATOM 2207 C LYS C 35 9.802 7.614 -2.499 1.00 1.07 C ATOM 2208 O LYS C 35 11.018 7.669 -2.687 1.00 1.10 O ATOM 2209 CB LYS C 35 8.077 7.595 -4.315 1.00 1.24 C ATOM 2210 CG LYS C 35 7.953 7.017 -5.715 1.00 1.46 C ATOM 2211 CD LYS C 35 7.286 7.998 -6.666 1.00 1.92 C ATOM 2212 CE LYS C 35 7.499 7.601 -8.119 1.00 2.38 C ATOM 2213 NZ LYS C 35 8.345 8.589 -8.845 1.00 3.01 N ATOM 0 H LYS C 35 7.055 6.053 -2.682 1.00 0.90 H new ATOM 0 HA LYS C 35 9.552 6.078 -3.966 1.00 1.06 H new ATOM 0 HB2 LYS C 35 7.080 7.719 -3.892 1.00 1.24 H new ATOM 0 HB3 LYS C 35 8.522 8.588 -4.379 1.00 1.24 H new ATOM 0 HG2 LYS C 35 8.943 6.759 -6.092 1.00 1.46 H new ATOM 0 HG3 LYS C 35 7.375 6.094 -5.679 1.00 1.46 H new ATOM 0 HD2 LYS C 35 6.218 8.043 -6.453 1.00 1.92 H new ATOM 0 HD3 LYS C 35 7.687 8.998 -6.499 1.00 1.92 H new ATOM 0 HE2 LYS C 35 7.970 6.619 -8.162 1.00 2.38 H new ATOM 0 HE3 LYS C 35 6.533 7.514 -8.617 1.00 2.38 H new ATOM 0 HZ1 LYS C 35 8.467 8.283 -9.831 1.00 3.01 H new ATOM 0 HZ2 LYS C 35 7.884 9.521 -8.826 1.00 3.01 H new ATOM 0 HZ3 LYS C 35 9.276 8.654 -8.385 1.00 3.01 H new ATOM 2227 N ASN C 36 9.188 8.286 -1.532 1.00 1.07 N ATOM 2228 CA ASN C 36 9.926 9.146 -0.616 1.00 1.12 C ATOM 2229 C ASN C 36 10.890 8.298 0.201 1.00 0.96 C ATOM 2230 O ASN C 36 12.038 8.687 0.451 1.00 0.99 O ATOM 2231 CB ASN C 36 8.965 9.900 0.307 1.00 1.19 C ATOM 2232 CG ASN C 36 9.195 11.398 0.283 1.00 1.53 C ATOM 2233 OD1 ASN C 36 10.325 11.862 0.127 1.00 1.97 O ATOM 2234 ND2 ASN C 36 8.122 12.165 0.438 1.00 2.13 N ATOM 0 H ASN C 36 8.183 8.252 -1.363 1.00 1.07 H new ATOM 0 HA ASN C 36 10.489 9.882 -1.190 1.00 1.12 H new ATOM 0 HB2 ASN C 36 7.938 9.688 0.009 1.00 1.19 H new ATOM 0 HB3 ASN C 36 9.083 9.534 1.327 1.00 1.19 H new ATOM 0 HD21 ASN C 36 8.216 13.181 0.431 1.00 2.13 H new ATOM 0 HD22 ASN C 36 7.204 11.738 0.564 1.00 2.13 H new ATOM 2241 N LEU C 37 10.422 7.113 0.583 1.00 0.80 N ATOM 2242 CA LEU C 37 11.243 6.185 1.336 1.00 0.65 C ATOM 2243 C LEU C 37 12.438 5.793 0.484 1.00 0.66 C ATOM 2244 O LEU C 37 13.580 5.842 0.933 1.00 0.65 O ATOM 2245 CB LEU C 37 10.440 4.939 1.715 1.00 0.51 C ATOM 2246 CG LEU C 37 9.382 5.146 2.800 1.00 0.60 C ATOM 2247 CD1 LEU C 37 8.742 3.819 3.173 1.00 0.47 C ATOM 2248 CD2 LEU C 37 9.989 5.809 4.028 1.00 0.79 C ATOM 0 H LEU C 37 9.480 6.778 0.381 1.00 0.80 H new ATOM 0 HA LEU C 37 11.579 6.663 2.256 1.00 0.65 H new ATOM 0 HB2 LEU C 37 9.948 4.558 0.820 1.00 0.51 H new ATOM 0 HB3 LEU C 37 11.134 4.168 2.050 1.00 0.51 H new ATOM 0 HG LEU C 37 8.610 5.806 2.405 1.00 0.60 H new ATOM 0 HD11 LEU C 37 7.991 3.982 3.946 1.00 0.47 H new ATOM 0 HD12 LEU C 37 8.268 3.383 2.293 1.00 0.47 H new ATOM 0 HD13 LEU C 37 9.507 3.139 3.548 1.00 0.47 H new ATOM 0 HD21 LEU C 37 9.218 5.946 4.786 1.00 0.79 H new ATOM 0 HD22 LEU C 37 10.783 5.178 4.428 1.00 0.79 H new ATOM 0 HD23 LEU C 37 10.402 6.779 3.751 1.00 0.79 H new ATOM 2260 N ASN C 38 12.149 5.437 -0.767 1.00 0.75 N ATOM 2261 CA ASN C 38 13.174 5.057 -1.731 1.00 0.85 C ATOM 2262 C ASN C 38 14.238 6.142 -1.846 1.00 0.95 C ATOM 2263 O ASN C 38 15.413 5.858 -2.083 1.00 0.98 O ATOM 2264 CB ASN C 38 12.539 4.822 -3.099 1.00 1.00 C ATOM 2265 CG ASN C 38 13.214 3.705 -3.870 1.00 1.13 C ATOM 2266 OD1 ASN C 38 12.575 2.727 -4.257 1.00 1.69 O ATOM 2267 ND2 ASN C 38 14.515 3.846 -4.098 1.00 1.62 N ATOM 0 H ASN C 38 11.199 5.405 -1.138 1.00 0.75 H new ATOM 0 HA ASN C 38 13.646 4.138 -1.383 1.00 0.85 H new ATOM 0 HB2 ASN C 38 11.483 4.583 -2.969 1.00 1.00 H new ATOM 0 HB3 ASN C 38 12.588 5.742 -3.681 1.00 1.00 H new ATOM 0 HD21 ASN C 38 15.024 3.127 -4.612 1.00 1.62 H new ATOM 0 HD22 ASN C 38 15.005 4.674 -3.759 1.00 1.62 H new ATOM 2274 N GLU C 39 13.814 7.390 -1.672 1.00 1.03 N ATOM 2275 CA GLU C 39 14.728 8.521 -1.757 1.00 1.16 C ATOM 2276 C GLU C 39 15.790 8.415 -0.675 1.00 1.06 C ATOM 2277 O GLU C 39 16.992 8.377 -0.955 1.00 1.10 O ATOM 2278 CB GLU C 39 13.962 9.837 -1.615 1.00 1.28 C ATOM 2279 CG GLU C 39 14.412 10.913 -2.590 1.00 1.62 C ATOM 2280 CD GLU C 39 13.640 12.208 -2.427 1.00 2.07 C ATOM 2281 OE1 GLU C 39 12.542 12.174 -1.832 1.00 2.56 O ATOM 2282 OE2 GLU C 39 14.133 13.256 -2.894 1.00 2.62 O ATOM 0 H GLU C 39 12.846 7.642 -1.472 1.00 1.03 H new ATOM 0 HA GLU C 39 15.214 8.505 -2.733 1.00 1.16 H new ATOM 0 HB2 GLU C 39 12.899 9.646 -1.763 1.00 1.28 H new ATOM 0 HB3 GLU C 39 14.081 10.208 -0.597 1.00 1.28 H new ATOM 0 HG2 GLU C 39 15.475 11.107 -2.446 1.00 1.62 H new ATOM 0 HG3 GLU C 39 14.290 10.548 -3.610 1.00 1.62 H new ATOM 2289 N SER C 40 15.345 8.342 0.569 1.00 0.94 N ATOM 2290 CA SER C 40 16.274 8.216 1.684 1.00 0.86 C ATOM 2291 C SER C 40 17.221 7.039 1.443 1.00 0.74 C ATOM 2292 O SER C 40 18.383 7.053 1.867 1.00 0.74 O ATOM 2293 CB SER C 40 15.512 8.024 2.992 1.00 0.80 C ATOM 2294 OG SER C 40 14.487 8.993 3.134 1.00 1.34 O ATOM 0 H SER C 40 14.360 8.367 0.832 1.00 0.94 H new ATOM 0 HA SER C 40 16.861 9.132 1.758 1.00 0.86 H new ATOM 0 HB2 SER C 40 15.078 7.025 3.020 1.00 0.80 H new ATOM 0 HB3 SER C 40 16.203 8.095 3.832 1.00 0.80 H new ATOM 0 HG SER C 40 14.013 8.847 3.979 1.00 1.34 H new ATOM 2300 N LEU C 41 16.715 6.024 0.745 1.00 0.69 N ATOM 2301 CA LEU C 41 17.511 4.845 0.436 1.00 0.66 C ATOM 2302 C LEU C 41 18.570 5.181 -0.604 1.00 0.81 C ATOM 2303 O LEU C 41 19.626 4.553 -0.649 1.00 0.84 O ATOM 2304 CB LEU C 41 16.630 3.692 -0.042 1.00 0.66 C ATOM 2305 CG LEU C 41 15.208 3.681 0.515 1.00 0.57 C ATOM 2306 CD1 LEU C 41 14.533 2.348 0.241 1.00 0.72 C ATOM 2307 CD2 LEU C 41 15.208 3.982 2.005 1.00 0.62 C ATOM 0 H LEU C 41 15.761 5.997 0.385 1.00 0.69 H new ATOM 0 HA LEU C 41 18.010 4.523 1.350 1.00 0.66 H new ATOM 0 HB2 LEU C 41 16.576 3.725 -1.130 1.00 0.66 H new ATOM 0 HB3 LEU C 41 17.114 2.752 0.224 1.00 0.66 H new ATOM 0 HG LEU C 41 14.642 4.463 0.009 1.00 0.57 H new ATOM 0 HD11 LEU C 41 13.521 2.362 0.646 1.00 0.72 H new ATOM 0 HD12 LEU C 41 14.491 2.176 -0.834 1.00 0.72 H new ATOM 0 HD13 LEU C 41 15.102 1.548 0.714 1.00 0.72 H new ATOM 0 HD21 LEU C 41 14.184 3.969 2.379 1.00 0.62 H new ATOM 0 HD22 LEU C 41 15.795 3.228 2.529 1.00 0.62 H new ATOM 0 HD23 LEU C 41 15.644 4.966 2.177 1.00 0.62 H new ATOM 2319 N ILE C 42 18.315 6.203 -1.419 1.00 0.95 N ATOM 2320 CA ILE C 42 19.309 6.614 -2.399 1.00 1.12 C ATOM 2321 C ILE C 42 20.497 7.189 -1.641 1.00 1.08 C ATOM 2322 O ILE C 42 21.649 7.055 -2.054 1.00 1.15 O ATOM 2323 CB ILE C 42 18.768 7.647 -3.418 1.00 1.30 C ATOM 2324 CG1 ILE C 42 18.746 9.068 -2.836 1.00 1.74 C ATOM 2325 CG2 ILE C 42 17.381 7.245 -3.891 1.00 1.61 C ATOM 2326 CD1 ILE C 42 19.858 9.950 -3.363 1.00 2.17 C ATOM 0 H ILE C 42 17.452 6.747 -1.420 1.00 0.95 H new ATOM 0 HA ILE C 42 19.597 5.742 -2.986 1.00 1.12 H new ATOM 0 HB ILE C 42 19.447 7.654 -4.271 1.00 1.30 H new ATOM 0 HG12 ILE C 42 17.786 9.531 -3.064 1.00 1.74 H new ATOM 0 HG13 ILE C 42 18.822 9.009 -1.750 1.00 1.74 H new ATOM 0 HG21 ILE C 42 17.013 7.980 -4.607 1.00 1.61 H new ATOM 0 HG22 ILE C 42 17.429 6.266 -4.368 1.00 1.61 H new ATOM 0 HG23 ILE C 42 16.704 7.200 -3.038 1.00 1.61 H new ATOM 0 HD11 ILE C 42 19.783 10.939 -2.911 1.00 2.17 H new ATOM 0 HD12 ILE C 42 20.822 9.508 -3.112 1.00 2.17 H new ATOM 0 HD13 ILE C 42 19.770 10.038 -4.446 1.00 2.17 H new ATOM 2338 N ASP C 43 20.188 7.802 -0.499 1.00 0.99 N ATOM 2339 CA ASP C 43 21.207 8.374 0.371 1.00 0.96 C ATOM 2340 C ASP C 43 22.152 7.279 0.856 1.00 0.83 C ATOM 2341 O ASP C 43 23.358 7.335 0.615 1.00 0.87 O ATOM 2342 CB ASP C 43 20.559 9.068 1.574 1.00 0.95 C ATOM 2343 CG ASP C 43 20.899 10.544 1.642 1.00 1.15 C ATOM 2344 OD1 ASP C 43 20.783 11.229 0.603 1.00 1.80 O ATOM 2345 OD2 ASP C 43 21.281 11.016 2.733 1.00 1.51 O ATOM 0 H ASP C 43 19.234 7.914 -0.156 1.00 0.99 H new ATOM 0 HA ASP C 43 21.772 9.113 -0.197 1.00 0.96 H new ATOM 0 HB2 ASP C 43 19.477 8.949 1.519 1.00 0.95 H new ATOM 0 HB3 ASP C 43 20.887 8.580 2.492 1.00 0.95 H new ATOM 2350 N LEU C 44 21.592 6.275 1.536 1.00 0.71 N ATOM 2351 CA LEU C 44 22.395 5.161 2.045 1.00 0.62 C ATOM 2352 C LEU C 44 23.219 4.538 0.924 1.00 0.75 C ATOM 2353 O LEU C 44 24.336 4.068 1.146 1.00 0.79 O ATOM 2354 CB LEU C 44 21.505 4.100 2.698 1.00 0.65 C ATOM 2355 CG LEU C 44 20.429 3.500 1.796 1.00 0.84 C ATOM 2356 CD1 LEU C 44 21.038 2.500 0.822 1.00 1.06 C ATOM 2357 CD2 LEU C 44 19.343 2.840 2.631 1.00 1.80 C ATOM 0 H LEU C 44 20.596 6.211 1.745 1.00 0.71 H new ATOM 0 HA LEU C 44 23.074 5.554 2.802 1.00 0.62 H new ATOM 0 HB2 LEU C 44 22.140 3.293 3.063 1.00 0.65 H new ATOM 0 HB3 LEU C 44 21.020 4.543 3.568 1.00 0.65 H new ATOM 0 HG LEU C 44 19.978 4.306 1.218 1.00 0.84 H new ATOM 0 HD11 LEU C 44 20.254 2.085 0.189 1.00 1.06 H new ATOM 0 HD12 LEU C 44 21.778 3.003 0.200 1.00 1.06 H new ATOM 0 HD13 LEU C 44 21.518 1.696 1.379 1.00 1.06 H new ATOM 0 HD21 LEU C 44 18.584 2.418 1.973 1.00 1.80 H new ATOM 0 HD22 LEU C 44 19.781 2.046 3.236 1.00 1.80 H new ATOM 0 HD23 LEU C 44 18.884 3.583 3.284 1.00 1.80 H new ATOM 2369 N GLN C 45 22.667 4.553 -0.285 1.00 0.89 N ATOM 2370 CA GLN C 45 23.356 4.004 -1.445 1.00 1.08 C ATOM 2371 C GLN C 45 24.641 4.779 -1.707 1.00 1.16 C ATOM 2372 O GLN C 45 25.668 4.201 -2.062 1.00 1.29 O ATOM 2373 CB GLN C 45 22.450 4.053 -2.677 1.00 1.24 C ATOM 2374 CG GLN C 45 21.727 2.744 -2.952 1.00 1.55 C ATOM 2375 CD GLN C 45 21.330 2.592 -4.407 1.00 2.05 C ATOM 2376 OE1 GLN C 45 22.036 3.049 -5.306 1.00 2.53 O ATOM 2377 NE2 GLN C 45 20.194 1.948 -4.647 1.00 2.69 N ATOM 0 H GLN C 45 21.745 4.940 -0.486 1.00 0.89 H new ATOM 0 HA GLN C 45 23.607 2.963 -1.240 1.00 1.08 H new ATOM 0 HB2 GLN C 45 21.713 4.845 -2.545 1.00 1.24 H new ATOM 0 HB3 GLN C 45 23.049 4.318 -3.548 1.00 1.24 H new ATOM 0 HG2 GLN C 45 22.369 1.911 -2.666 1.00 1.55 H new ATOM 0 HG3 GLN C 45 20.835 2.688 -2.328 1.00 1.55 H new ATOM 0 HE21 GLN C 45 19.640 1.585 -3.871 1.00 2.69 H new ATOM 0 HE22 GLN C 45 19.876 1.816 -5.607 1.00 2.69 H new ATOM 2386 N GLU C 46 24.575 6.093 -1.517 1.00 1.12 N ATOM 2387 CA GLU C 46 25.732 6.955 -1.719 1.00 1.24 C ATOM 2388 C GLU C 46 26.599 6.987 -0.465 1.00 1.06 C ATOM 2389 O GLU C 46 27.816 7.158 -0.543 1.00 1.15 O ATOM 2390 CB GLU C 46 25.283 8.372 -2.082 1.00 1.38 C ATOM 2391 CG GLU C 46 26.417 9.265 -2.559 1.00 1.59 C ATOM 2392 CD GLU C 46 26.028 10.730 -2.599 1.00 2.32 C ATOM 2393 OE1 GLU C 46 24.814 11.021 -2.659 1.00 2.86 O ATOM 2394 OE2 GLU C 46 26.936 11.587 -2.571 1.00 2.91 O ATOM 0 H GLU C 46 23.731 6.584 -1.223 1.00 1.12 H new ATOM 0 HA GLU C 46 26.322 6.551 -2.542 1.00 1.24 H new ATOM 0 HB2 GLU C 46 24.524 8.315 -2.862 1.00 1.38 H new ATOM 0 HB3 GLU C 46 24.813 8.830 -1.212 1.00 1.38 H new ATOM 0 HG2 GLU C 46 27.276 9.139 -1.900 1.00 1.59 H new ATOM 0 HG3 GLU C 46 26.730 8.949 -3.554 1.00 1.59 H new ATOM 2401 N LEU C 47 25.963 6.816 0.691 1.00 0.87 N ATOM 2402 CA LEU C 47 26.674 6.820 1.964 1.00 0.75 C ATOM 2403 C LEU C 47 27.747 5.736 1.984 1.00 0.77 C ATOM 2404 O LEU C 47 28.814 5.914 2.572 1.00 0.84 O ATOM 2405 CB LEU C 47 25.695 6.604 3.121 1.00 0.66 C ATOM 2406 CG LEU C 47 24.793 7.798 3.443 1.00 0.85 C ATOM 2407 CD1 LEU C 47 23.942 7.508 4.670 1.00 0.90 C ATOM 2408 CD2 LEU C 47 25.626 9.053 3.655 1.00 1.12 C ATOM 0 H LEU C 47 24.956 6.673 0.771 1.00 0.87 H new ATOM 0 HA LEU C 47 27.155 7.791 2.082 1.00 0.75 H new ATOM 0 HB2 LEU C 47 25.065 5.746 2.887 1.00 0.66 H new ATOM 0 HB3 LEU C 47 26.264 6.348 4.015 1.00 0.66 H new ATOM 0 HG LEU C 47 24.128 7.966 2.596 1.00 0.85 H new ATOM 0 HD11 LEU C 47 23.307 8.368 4.884 1.00 0.90 H new ATOM 0 HD12 LEU C 47 23.318 6.634 4.482 1.00 0.90 H new ATOM 0 HD13 LEU C 47 24.590 7.314 5.525 1.00 0.90 H new ATOM 0 HD21 LEU C 47 24.968 9.892 3.883 1.00 1.12 H new ATOM 0 HD22 LEU C 47 26.315 8.896 4.485 1.00 1.12 H new ATOM 0 HD23 LEU C 47 26.192 9.271 2.749 1.00 1.12 H new ATOM 2420 N GLY C 48 27.455 4.613 1.336 1.00 0.89 N ATOM 2421 CA GLY C 48 28.403 3.515 1.288 1.00 1.05 C ATOM 2422 C GLY C 48 29.214 3.493 0.004 1.00 1.14 C ATOM 2423 O GLY C 48 29.936 2.531 -0.261 1.00 1.40 O ATOM 0 H GLY C 48 26.578 4.444 0.843 1.00 0.89 H new ATOM 0 HA2 GLY C 48 29.080 3.588 2.139 1.00 1.05 H new ATOM 0 HA3 GLY C 48 27.865 2.572 1.389 1.00 1.05 H new ATOM 2427 N LYS C 49 29.098 4.550 -0.797 1.00 1.21 N ATOM 2428 CA LYS C 49 29.829 4.634 -2.057 1.00 1.53 C ATOM 2429 C LYS C 49 31.082 5.491 -1.912 1.00 1.56 C ATOM 2430 O LYS C 49 32.199 4.974 -1.869 1.00 1.72 O ATOM 2431 CB LYS C 49 28.928 5.202 -3.156 1.00 1.90 C ATOM 2432 CG LYS C 49 29.614 5.309 -4.510 1.00 2.40 C ATOM 2433 CD LYS C 49 29.781 6.758 -4.941 1.00 2.77 C ATOM 2434 CE LYS C 49 29.599 6.917 -6.442 1.00 3.37 C ATOM 2435 NZ LYS C 49 29.468 8.347 -6.838 1.00 3.87 N ATOM 0 H LYS C 49 28.507 5.357 -0.596 1.00 1.21 H new ATOM 0 HA LYS C 49 30.138 3.626 -2.334 1.00 1.53 H new ATOM 0 HB2 LYS C 49 28.046 4.570 -3.254 1.00 1.90 H new ATOM 0 HB3 LYS C 49 28.580 6.190 -2.855 1.00 1.90 H new ATOM 0 HG2 LYS C 49 30.591 4.828 -4.462 1.00 2.40 H new ATOM 0 HG3 LYS C 49 29.030 4.772 -5.257 1.00 2.40 H new ATOM 0 HD2 LYS C 49 29.055 7.380 -4.417 1.00 2.77 H new ATOM 0 HD3 LYS C 49 30.771 7.112 -4.654 1.00 2.77 H new ATOM 0 HE2 LYS C 49 30.450 6.474 -6.960 1.00 3.37 H new ATOM 0 HE3 LYS C 49 28.712 6.370 -6.760 1.00 3.37 H new ATOM 0 HZ1 LYS C 49 29.346 8.412 -7.869 1.00 3.87 H new ATOM 0 HZ2 LYS C 49 28.641 8.764 -6.364 1.00 3.87 H new ATOM 0 HZ3 LYS C 49 30.325 8.865 -6.558 1.00 3.87 H new ATOM 2449 N TYR C 50 30.889 6.801 -1.842 1.00 1.75 N ATOM 2450 CA TYR C 50 32.002 7.735 -1.709 1.00 2.10 C ATOM 2451 C TYR C 50 32.167 8.192 -0.263 1.00 1.99 C ATOM 2452 O TYR C 50 33.285 8.395 0.211 1.00 2.12 O ATOM 2453 CB TYR C 50 31.787 8.948 -2.615 1.00 2.88 C ATOM 2454 CG TYR C 50 33.052 9.727 -2.897 1.00 3.47 C ATOM 2455 CD1 TYR C 50 33.720 10.396 -1.879 1.00 3.92 C ATOM 2456 CD2 TYR C 50 33.577 9.795 -4.181 1.00 4.11 C ATOM 2457 CE1 TYR C 50 34.875 11.110 -2.132 1.00 4.69 C ATOM 2458 CE2 TYR C 50 34.733 10.507 -4.443 1.00 4.85 C ATOM 2459 CZ TYR C 50 35.377 11.163 -3.415 1.00 5.03 C ATOM 2460 OH TYR C 50 36.528 11.873 -3.671 1.00 5.91 O ATOM 0 H TYR C 50 29.970 7.243 -1.875 1.00 1.75 H new ATOM 0 HA TYR C 50 32.912 7.217 -2.011 1.00 2.10 H new ATOM 0 HB2 TYR C 50 31.358 8.613 -3.560 1.00 2.88 H new ATOM 0 HB3 TYR C 50 31.057 9.612 -2.151 1.00 2.88 H new ATOM 0 HD1 TYR C 50 33.330 10.357 -0.873 1.00 3.92 H new ATOM 0 HD2 TYR C 50 33.074 9.283 -4.988 1.00 4.11 H new ATOM 0 HE1 TYR C 50 35.382 11.624 -1.329 1.00 4.69 H new ATOM 0 HE2 TYR C 50 35.129 10.549 -5.447 1.00 4.85 H new ATOM 0 HH TYR C 50 36.747 11.808 -4.624 1.00 5.91 H new ATOM 2470 N GLU C 51 31.046 8.358 0.433 1.00 2.14 N ATOM 2471 CA GLU C 51 31.065 8.799 1.824 1.00 2.53 C ATOM 2472 C GLU C 51 31.982 7.921 2.672 1.00 2.23 C ATOM 2473 O GLU C 51 32.591 8.392 3.633 1.00 2.62 O ATOM 2474 CB GLU C 51 29.649 8.785 2.403 1.00 3.24 C ATOM 2475 CG GLU C 51 28.919 10.110 2.258 1.00 3.86 C ATOM 2476 CD GLU C 51 29.055 10.989 3.486 1.00 4.47 C ATOM 2477 OE1 GLU C 51 28.238 10.836 4.419 1.00 4.96 O ATOM 2478 OE2 GLU C 51 29.978 11.829 3.516 1.00 4.88 O ATOM 0 H GLU C 51 30.113 8.194 0.056 1.00 2.14 H new ATOM 0 HA GLU C 51 31.453 9.817 1.846 1.00 2.53 H new ATOM 0 HB2 GLU C 51 29.071 8.005 1.908 1.00 3.24 H new ATOM 0 HB3 GLU C 51 29.700 8.522 3.459 1.00 3.24 H new ATOM 0 HG2 GLU C 51 29.309 10.642 1.390 1.00 3.86 H new ATOM 0 HG3 GLU C 51 27.863 9.920 2.067 1.00 3.86 H new ATOM 2485 N GLN C 52 32.077 6.645 2.313 1.00 1.94 N ATOM 2486 CA GLN C 52 32.923 5.710 3.048 1.00 2.26 C ATOM 2487 C GLN C 52 34.295 5.565 2.390 1.00 2.45 C ATOM 2488 O GLN C 52 35.042 4.636 2.697 1.00 3.15 O ATOM 2489 CB GLN C 52 32.243 4.342 3.149 1.00 2.64 C ATOM 2490 CG GLN C 52 32.131 3.614 1.819 1.00 3.05 C ATOM 2491 CD GLN C 52 32.853 2.281 1.819 1.00 3.69 C ATOM 2492 OE1 GLN C 52 32.342 1.285 1.306 1.00 4.04 O ATOM 2493 NE2 GLN C 52 34.049 2.255 2.396 1.00 4.36 N ATOM 0 H GLN C 52 31.581 6.235 1.521 1.00 1.94 H new ATOM 0 HA GLN C 52 33.069 6.112 4.051 1.00 2.26 H new ATOM 0 HB2 GLN C 52 32.802 3.719 3.848 1.00 2.64 H new ATOM 0 HB3 GLN C 52 31.245 4.473 3.567 1.00 2.64 H new ATOM 0 HG2 GLN C 52 31.079 3.453 1.585 1.00 3.05 H new ATOM 0 HG3 GLN C 52 32.540 4.244 1.029 1.00 3.05 H new ATOM 0 HE21 GLN C 52 34.435 3.104 2.809 1.00 4.36 H new ATOM 0 HE22 GLN C 52 34.582 1.386 2.426 1.00 4.36 H new ATOM 2502 N TYR C 53 34.624 6.488 1.490 1.00 2.21 N ATOM 2503 CA TYR C 53 35.910 6.456 0.802 1.00 2.82 C ATOM 2504 C TYR C 53 37.061 6.546 1.800 1.00 2.86 C ATOM 2505 O TYR C 53 38.176 6.106 1.519 1.00 3.68 O ATOM 2506 CB TYR C 53 36.001 7.602 -0.207 1.00 3.17 C ATOM 2507 CG TYR C 53 37.195 7.503 -1.130 1.00 3.86 C ATOM 2508 CD1 TYR C 53 38.435 8.000 -0.748 1.00 4.49 C ATOM 2509 CD2 TYR C 53 37.082 6.912 -2.382 1.00 4.40 C ATOM 2510 CE1 TYR C 53 39.528 7.911 -1.588 1.00 5.38 C ATOM 2511 CE2 TYR C 53 38.170 6.819 -3.227 1.00 5.30 C ATOM 2512 CZ TYR C 53 39.391 7.320 -2.826 1.00 5.69 C ATOM 2513 OH TYR C 53 40.477 7.228 -3.665 1.00 6.72 O ATOM 0 H TYR C 53 34.020 7.265 1.221 1.00 2.21 H new ATOM 0 HA TYR C 53 35.987 5.508 0.270 1.00 2.82 H new ATOM 0 HB2 TYR C 53 35.090 7.621 -0.806 1.00 3.17 H new ATOM 0 HB3 TYR C 53 36.047 8.548 0.333 1.00 3.17 H new ATOM 0 HD1 TYR C 53 38.546 8.463 0.221 1.00 4.49 H new ATOM 0 HD2 TYR C 53 36.128 6.519 -2.700 1.00 4.40 H new ATOM 0 HE1 TYR C 53 40.485 8.302 -1.276 1.00 5.38 H new ATOM 0 HE2 TYR C 53 38.066 6.356 -4.197 1.00 5.30 H new ATOM 0 HH TYR C 53 40.211 6.784 -4.497 1.00 6.72 H new ATOM 2523 N ILE C 54 36.781 7.118 2.967 1.00 2.38 N ATOM 2524 CA ILE C 54 37.789 7.266 4.012 1.00 2.89 C ATOM 2525 C ILE C 54 38.125 5.919 4.641 1.00 3.84 C ATOM 2526 O ILE C 54 37.235 5.161 5.023 1.00 4.05 O ATOM 2527 CB ILE C 54 37.324 8.236 5.120 1.00 2.81 C ATOM 2528 CG1 ILE C 54 35.859 7.981 5.483 1.00 3.38 C ATOM 2529 CG2 ILE C 54 37.522 9.678 4.678 1.00 3.37 C ATOM 2530 CD1 ILE C 54 35.423 8.670 6.757 1.00 4.06 C ATOM 0 H ILE C 54 35.863 7.487 3.213 1.00 2.38 H new ATOM 0 HA ILE C 54 38.678 7.678 3.535 1.00 2.89 H new ATOM 0 HB ILE C 54 37.930 8.059 6.009 1.00 2.81 H new ATOM 0 HG12 ILE C 54 35.226 8.318 4.662 1.00 3.38 H new ATOM 0 HG13 ILE C 54 35.701 6.908 5.588 1.00 3.38 H new ATOM 0 HG21 ILE C 54 37.190 10.350 5.469 1.00 3.37 H new ATOM 0 HG22 ILE C 54 38.578 9.854 4.472 1.00 3.37 H new ATOM 0 HG23 ILE C 54 36.940 9.865 3.775 1.00 3.37 H new ATOM 0 HD11 ILE C 54 34.374 8.445 6.952 1.00 4.06 H new ATOM 0 HD12 ILE C 54 36.031 8.315 7.589 1.00 4.06 H new ATOM 0 HD13 ILE C 54 35.549 9.747 6.649 1.00 4.06 H new ATOM 2542 N LYS C 55 39.418 5.626 4.744 1.00 4.76 N ATOM 2543 CA LYS C 55 39.873 4.368 5.326 1.00 5.93 C ATOM 2544 C LYS C 55 41.209 4.550 6.037 1.00 6.65 C ATOM 2545 O LYS C 55 41.891 3.533 6.283 1.00 7.05 O ATOM 2546 CB LYS C 55 39.998 3.293 4.243 1.00 6.51 C ATOM 2547 CG LYS C 55 40.586 3.805 2.937 1.00 7.03 C ATOM 2548 CD LYS C 55 42.084 4.038 3.052 1.00 7.81 C ATOM 2549 CE LYS C 55 42.412 5.519 3.157 1.00 8.52 C ATOM 2550 NZ LYS C 55 41.826 6.298 2.032 1.00 9.19 N ATOM 2551 OXT LYS C 55 41.563 5.708 6.343 1.00 7.09 O ATOM 0 H LYS C 55 40.169 6.242 4.432 1.00 4.76 H new ATOM 0 HA LYS C 55 39.133 4.048 6.059 1.00 5.93 H new ATOM 0 HB2 LYS C 55 40.622 2.482 4.619 1.00 6.51 H new ATOM 0 HB3 LYS C 55 39.012 2.872 4.047 1.00 6.51 H new ATOM 0 HG2 LYS C 55 40.389 3.086 2.142 1.00 7.03 H new ATOM 0 HG3 LYS C 55 40.093 4.735 2.655 1.00 7.03 H new ATOM 0 HD2 LYS C 55 42.468 3.516 3.929 1.00 7.81 H new ATOM 0 HD3 LYS C 55 42.587 3.614 2.183 1.00 7.81 H new ATOM 0 HE2 LYS C 55 42.035 5.908 4.103 1.00 8.52 H new ATOM 0 HE3 LYS C 55 43.494 5.652 3.166 1.00 8.52 H new ATOM 0 HZ1 LYS C 55 42.429 7.121 1.828 1.00 9.19 H new ATOM 0 HZ2 LYS C 55 41.766 5.695 1.187 1.00 9.19 H new ATOM 0 HZ3 LYS C 55 40.874 6.623 2.294 1.00 9.19 H new TER 2565 LYS C 55 END