HEADER COMPLEX (TRANSFERASE/PEPTIDE) 04-AUG-96 1NLP TITLE STRUCTURE OF SIGNAL TRANSDUCTION PROTEIN, NMR, MINIMIZED TITLE 2 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: C-SRC; COMPND 3 CHAIN: C; COMPND 4 FRAGMENT: SH3 DOMAIN; COMPND 5 EC: 2.7.1.112; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: NL2 (MN8-MN1-PLPPLP); COMPND 9 CHAIN: N; COMPND 10 ENGINEERED: YES; COMPND 11 OTHER_DETAILS: LIGAND NL2 CONTAINS NON-PEPTIDE ELEMENTS SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 GENE: CHICKEN; SOURCE 6 EXPRESSION_SYSTEM: GST-FUSION; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PGEX-2T; SOURCE 8 EXPRESSION_SYSTEM_GENE: CHICKEN; SOURCE 9 MOL_ID: 2 KEYWDS SRC, SH3 DOMAIN, LIGANDS, NON-PEPTIDE ELEMENTS, COMPLEX KEYWDS 2 (TRANSFERASE/PEPTIDE) EXPDTA SOLUTION NMR AUTHOR S.FENG,T.M.KAPOOR,F.SHIRAI,A.P.COMBS,S.L.SCHREIBER REVDAT 2 24-FEB-09 1NLP 1 VERSN REVDAT 1 27-JAN-97 1NLP 0 JRNL AUTH S.FENG,T.M.KAPOOR,F.SHIRAI,A.P.COMBS,S.L.SCHREIBER JRNL TITL MOLECULAR BASIS FOR THE BINDING OF SH3 LIGANDS JRNL TITL 2 WITH NON-PEPTIDE ELEMENTS IDENTIFIED BY JRNL TITL 3 COMBINATORIAL SYNTHESIS. JRNL REF CHEM.BIOL. V. 3 661 1996 JRNL REFN ISSN 1074-5521 JRNL PMID 8807900 JRNL DOI 10.1016/S1074-5521(96)90134-9 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH A.P.COMBS,T.M.KAPOOR,S.FENG,J.K.CHEN, REMARK 1 AUTH 2 L.F.DAUDE-SNOW,S.L.SCHREIBER REMARK 1 TITL PROTEIN STRUCTURE-BASED COMBINATORIAL CHEMISTRY: REMARK 1 TITL 2 DISCOVERY OF NON-PEPTIDE BINDING ELEMENTS TO SRC REMARK 1 TITL 3 SH3 DOMAIN REMARK 1 REF J.AM.CHEM.SOC. V. 118 287 1996 REMARK 1 REFN ISSN 0002-7863 REMARK 1 REFERENCE 2 REMARK 1 AUTH S.FENG,C.KASAHARA,R.J.RICKLES,S.L.SCHREIBER REMARK 1 TITL SPECIFIC INTERACTIONS OUTSIDE THE PROLINE-RICH REMARK 1 TITL 2 CORE OF TWO CLASSES OF SRC HOMOLOGY 3 LIGANDS REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 92 12408 1995 REMARK 1 REFN ISSN 0027-8424 REMARK 1 REFERENCE 3 REMARK 1 AUTH H.YU,J.K.CHEN,S.FENG,D.C.DALGARNO,A.W.BRAUER, REMARK 1 AUTH 2 S.L.SCHREIBER REMARK 1 TITL STRUCTURAL BASIS FOR THE BINDING OF PROLINE-RICH REMARK 1 TITL 2 PEPTIDES TO SH3 DOMAINS REMARK 1 REF CELL(CAMBRIDGE,MASS.) V. 76 933 1994 REMARK 1 REFN ISSN 0092-8674 REMARK 1 REFERENCE 4 REMARK 1 AUTH S.FENG,J.K.CHEN,H.YU,J.A.SIMON,S.L.SCHREIBER REMARK 1 TITL TWO BINDING ORIENTATIONS FOR PEPTIDES TO THE SRC REMARK 1 TITL 2 SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR REMARK 1 TITL 3 SH3-LIGAND INTERACTIONS REMARK 1 REF SCIENCE V. 266 1241 1994 REMARK 1 REFN ISSN 0036-8075 REMARK 1 REFERENCE 5 REMARK 1 AUTH H.YU,M.K.ROSEN,T.B.SHIN,C.SEIDEL-DUGAN,J.S.BRUGGE, REMARK 1 AUTH 2 S.L.SCHREIBER REMARK 1 TITL SOLUTION STRUCTURE OF THE SH3 DOMAIN OF SRC AND REMARK 1 TITL 2 IDENTIFICATION OF ITS LIGAND-BINDING SITE REMARK 1 REF SCIENCE V. 258 1665 1992 REMARK 1 REFN ISSN 0036-8075 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NLP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 GLY C 1 REMARK 465 SER C 2 REMARK 465 HIS C 3 REMARK 465 MET C 4 REMARK 465 GLY C 5 REMARK 465 GLY C 6 REMARK 465 VAL C 7 REMARK 465 THR C 8 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 LEU C 13 -31.34 -38.76 REMARK 500 VAL C 35 -74.78 -113.38 REMARK 500 TYR C 55 174.75 -50.15 REMARK 500 LEU N 79 150.85 -43.00 REMARK 500 REMARK 500 REMARK: NULL DBREF 1NLP C 1 64 UNP P00525 SRC_AVISR 77 140 DBREF 1NLP N 72 81 PDB 1NLP 1NLP 72 81 SEQADV 1NLP SER C 2 UNP P00525 ALA 78 CONFLICT SEQADV 1NLP HIS C 3 UNP P00525 LEU 79 CONFLICT SEQADV 1NLP MET C 4 UNP P00525 ALA 80 CONFLICT SEQRES 1 C 64 GLY SER HIS MET GLY GLY VAL THR THR PHE VAL ALA LEU SEQRES 2 C 64 TYR ASP TYR GLU SER ARG THR GLU THR ASP LEU SER PHE SEQRES 3 C 64 LYS LYS GLY GLU ARG LEU GLN ILE VAL ASN ASN THR GLU SEQRES 4 C 64 GLY ASP TRP TRP LEU ALA HIS SER LEU THR THR GLY GLN SEQRES 5 C 64 THR GLY TYR ILE PRO SER ASN TYR VAL ALA PRO SER SEQRES 1 N 10 ACE MN8 MN1 PRO LEU PRO PRO LEU PRO NH2 HET ACE N 72 6 HET MN8 N 73 36 HET MN1 N 74 17 HET NH2 N 81 3 HETNAM ACE ACETYL GROUP HETNAM MN8 2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE HETNAM MN1 4-CARBOXYPIPERIDINE HETNAM NH2 AMINO GROUP FORMUL 2 ACE C2 H4 O FORMUL 2 MN8 C16 H18 N2 O2 S FORMUL 2 MN1 C6 H11 N O2 FORMUL 2 NH2 H2 N HELIX 1 1 SER C 58 TYR C 60 5 3 SHEET 1 A 3 GLN C 52 PRO C 57 0 SHEET 2 A 3 TRP C 42 SER C 47 -1 N SER C 47 O GLN C 52 SHEET 3 A 3 LEU C 32 ASN C 36 -1 N ASN C 36 O LEU C 44 LINK C ACE N 72 N11 MN8 N 73 1555 1555 1.31 LINK C1 MN8 N 73 N1 MN1 N 74 1555 1555 1.32 LINK C MN1 N 74 N PRO N 75 1555 1555 1.31 LINK N NH2 N 81 C PRO N 80 1555 1555 1.31 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 ATOM 1 N THR C 9 53.762 8.263 -8.197 1.00 1.31 N ATOM 2 CA THR C 9 52.494 7.515 -8.432 1.00 0.77 C ATOM 3 C THR C 9 52.801 6.023 -8.567 1.00 0.62 C ATOM 4 O THR C 9 53.232 5.559 -9.603 1.00 0.75 O ATOM 5 CB THR C 9 51.833 8.019 -9.717 1.00 1.28 C ATOM 6 OG1 THR C 9 52.063 9.414 -9.850 1.00 1.56 O ATOM 7 CG2 THR C 9 50.329 7.751 -9.658 1.00 1.77 C ATOM 8 HA THR C 9 51.826 7.671 -7.598 1.00 1.00 H ATOM 9 HB THR C 9 52.254 7.501 -10.566 1.00 1.70 H ATOM 10 HG1 THR C 9 52.385 9.578 -10.740 1.00 2.07 H ATOM 11 HG21 THR C 9 50.124 7.017 -8.892 1.00 2.13 H ATOM 12 HG22 THR C 9 49.808 8.668 -9.425 1.00 2.09 H ATOM 13 HG23 THR C 9 49.991 7.378 -10.614 1.00 2.31 H ATOM 14 N PHE C 10 52.584 5.268 -7.525 1.00 0.49 N ATOM 15 CA PHE C 10 52.865 3.807 -7.593 1.00 0.37 C ATOM 16 C PHE C 10 51.548 3.038 -7.738 1.00 0.33 C ATOM 17 O PHE C 10 50.477 3.610 -7.707 1.00 0.40 O ATOM 18 CB PHE C 10 53.572 3.366 -6.310 1.00 0.42 C ATOM 19 CG PHE C 10 55.066 3.521 -6.475 1.00 0.43 C ATOM 20 CD1 PHE C 10 55.581 4.586 -7.224 1.00 1.19 C ATOM 21 CD2 PHE C 10 55.936 2.600 -5.879 1.00 1.37 C ATOM 22 CE1 PHE C 10 56.966 4.729 -7.377 1.00 1.21 C ATOM 23 CE2 PHE C 10 57.321 2.744 -6.032 1.00 1.37 C ATOM 24 CZ PHE C 10 57.835 3.808 -6.781 1.00 0.49 C ATOM 25 H PHE C 10 52.238 5.663 -6.698 1.00 0.58 H ATOM 26 HA PHE C 10 53.498 3.600 -8.442 1.00 0.35 H ATOM 27 HB2 PHE C 10 53.236 3.978 -5.486 1.00 0.50 H ATOM 28 HB3 PHE C 10 53.339 2.333 -6.109 1.00 0.44 H ATOM 29 HD1 PHE C 10 54.910 5.296 -7.683 1.00 2.07 H ATOM 30 HD2 PHE C 10 55.539 1.778 -5.300 1.00 2.27 H ATOM 31 HE1 PHE C 10 57.363 5.550 -7.955 1.00 2.11 H ATOM 32 HE2 PHE C 10 57.993 2.034 -5.574 1.00 2.26 H ATOM 33 HZ PHE C 10 58.903 3.919 -6.898 1.00 0.53 H ATOM 34 N VAL C 11 51.623 1.744 -7.894 1.00 0.34 N ATOM 35 CA VAL C 11 50.380 0.933 -8.040 1.00 0.37 C ATOM 36 C VAL C 11 50.428 -0.242 -7.061 1.00 0.32 C ATOM 37 O VAL C 11 51.427 -0.921 -6.942 1.00 0.34 O ATOM 38 CB VAL C 11 50.284 0.401 -9.471 1.00 0.44 C ATOM 39 CG1 VAL C 11 48.990 -0.399 -9.633 1.00 0.58 C ATOM 40 CG2 VAL C 11 50.283 1.576 -10.451 1.00 0.57 C ATOM 41 H VAL C 11 52.498 1.304 -7.914 1.00 0.39 H ATOM 42 HA VAL C 11 49.519 1.548 -7.824 1.00 0.42 H ATOM 43 HB VAL C 11 51.130 -0.240 -9.674 1.00 0.49 H ATOM 44 HG11 VAL C 11 48.231 0.010 -8.982 1.00 1.12 H ATOM 45 HG12 VAL C 11 48.655 -0.339 -10.658 1.00 1.26 H ATOM 46 HG13 VAL C 11 49.169 -1.431 -9.372 1.00 1.16 H ATOM 47 HG21 VAL C 11 49.802 2.427 -9.991 1.00 1.10 H ATOM 48 HG22 VAL C 11 51.300 1.832 -10.707 1.00 1.01 H ATOM 49 HG23 VAL C 11 49.745 1.298 -11.345 1.00 1.36 H ATOM 50 N ALA C 12 49.361 -0.486 -6.354 1.00 0.32 N ATOM 51 CA ALA C 12 49.360 -1.614 -5.380 1.00 0.32 C ATOM 52 C ALA C 12 49.145 -2.939 -6.115 1.00 0.32 C ATOM 53 O ALA C 12 48.026 -3.349 -6.352 1.00 0.36 O ATOM 54 CB ALA C 12 48.237 -1.412 -4.362 1.00 0.35 C ATOM 55 H ALA C 12 48.564 0.074 -6.458 1.00 0.36 H ATOM 56 HA ALA C 12 50.309 -1.641 -4.864 1.00 0.33 H ATOM 57 HB1 ALA C 12 47.333 -1.121 -4.875 1.00 1.06 H ATOM 58 HB2 ALA C 12 48.068 -2.335 -3.827 1.00 1.12 H ATOM 59 HB3 ALA C 12 48.519 -0.638 -3.663 1.00 1.05 H ATOM 60 N LEU C 13 50.211 -3.611 -6.466 1.00 0.31 N ATOM 61 CA LEU C 13 50.086 -4.919 -7.173 1.00 0.35 C ATOM 62 C LEU C 13 48.918 -5.708 -6.589 1.00 0.34 C ATOM 63 O LEU C 13 48.270 -6.471 -7.277 1.00 0.37 O ATOM 64 CB LEU C 13 51.379 -5.716 -6.991 1.00 0.40 C ATOM 65 CG LEU C 13 52.517 -5.018 -7.738 1.00 0.52 C ATOM 66 CD1 LEU C 13 53.842 -5.706 -7.409 1.00 0.67 C ATOM 67 CD2 LEU C 13 52.262 -5.100 -9.244 1.00 0.67 C ATOM 68 H LEU C 13 51.098 -3.256 -6.258 1.00 0.32 H ATOM 69 HA LEU C 13 49.913 -4.756 -8.221 1.00 0.37 H ATOM 70 HB2 LEU C 13 51.620 -5.777 -5.940 1.00 0.45 H ATOM 71 HB3 LEU C 13 51.248 -6.711 -7.389 1.00 0.41 H ATOM 72 HG LEU C 13 52.564 -3.982 -7.435 1.00 0.57 H ATOM 73 HD11 LEU C 13 53.670 -6.496 -6.692 1.00 1.12 H ATOM 74 HD12 LEU C 13 54.265 -6.125 -8.310 1.00 1.34 H ATOM 75 HD13 LEU C 13 54.529 -4.985 -6.991 1.00 1.25 H ATOM 76 HD21 LEU C 13 51.477 -5.818 -9.437 1.00 1.33 H ATOM 77 HD22 LEU C 13 51.961 -4.131 -9.613 1.00 1.20 H ATOM 78 HD23 LEU C 13 53.166 -5.412 -9.746 1.00 1.20 H ATOM 79 N TYR C 14 48.643 -5.537 -5.326 1.00 0.34 N ATOM 80 CA TYR C 14 47.516 -6.295 -4.715 1.00 0.37 C ATOM 81 C TYR C 14 46.917 -5.513 -3.549 1.00 0.36 C ATOM 82 O TYR C 14 47.519 -4.599 -3.024 1.00 0.36 O ATOM 83 CB TYR C 14 48.047 -7.631 -4.206 1.00 0.39 C ATOM 84 CG TYR C 14 49.001 -8.194 -5.226 1.00 0.44 C ATOM 85 CD1 TYR C 14 48.498 -8.840 -6.360 1.00 1.39 C ATOM 86 CD2 TYR C 14 50.385 -8.069 -5.046 1.00 1.20 C ATOM 87 CE1 TYR C 14 49.376 -9.365 -7.312 1.00 1.45 C ATOM 88 CE2 TYR C 14 51.260 -8.592 -5.999 1.00 1.22 C ATOM 89 CZ TYR C 14 50.758 -9.241 -7.133 1.00 0.64 C ATOM 90 OH TYR C 14 51.626 -9.756 -8.075 1.00 0.77 O ATOM 91 H TYR C 14 49.179 -4.918 -4.782 1.00 0.34 H ATOM 92 HA TYR C 14 46.755 -6.473 -5.459 1.00 0.42 H ATOM 93 HB2 TYR C 14 48.564 -7.482 -3.268 1.00 0.36 H ATOM 94 HB3 TYR C 14 47.226 -8.317 -4.062 1.00 0.48 H ATOM 95 HD1 TYR C 14 47.432 -8.934 -6.499 1.00 2.27 H ATOM 96 HD2 TYR C 14 50.780 -7.569 -4.171 1.00 2.09 H ATOM 97 HE1 TYR C 14 48.987 -9.866 -8.182 1.00 2.35 H ATOM 98 HE2 TYR C 14 52.326 -8.499 -5.853 1.00 2.09 H ATOM 99 HH TYR C 14 52.306 -10.250 -7.613 1.00 1.16 H ATOM 100 N ASP C 15 45.737 -5.880 -3.130 1.00 0.43 N ATOM 101 CA ASP C 15 45.104 -5.171 -1.987 1.00 0.43 C ATOM 102 C ASP C 15 45.934 -5.444 -0.737 1.00 0.39 C ATOM 103 O ASP C 15 46.111 -6.578 -0.338 1.00 0.43 O ATOM 104 CB ASP C 15 43.678 -5.690 -1.769 1.00 0.50 C ATOM 105 CG ASP C 15 42.947 -5.805 -3.109 1.00 0.98 C ATOM 106 OD1 ASP C 15 43.225 -6.743 -3.837 1.00 1.91 O ATOM 107 OD2 ASP C 15 42.111 -4.959 -3.380 1.00 1.21 O ATOM 108 H ASP C 15 45.276 -6.628 -3.561 1.00 0.51 H ATOM 109 HA ASP C 15 45.084 -4.111 -2.184 1.00 0.44 H ATOM 110 HB2 ASP C 15 43.720 -6.662 -1.299 1.00 0.72 H ATOM 111 HB3 ASP C 15 43.142 -5.006 -1.127 1.00 0.83 H ATOM 112 N TYR C 16 46.458 -4.426 -0.116 1.00 0.36 N ATOM 113 CA TYR C 16 47.282 -4.666 1.095 1.00 0.33 C ATOM 114 C TYR C 16 46.435 -4.478 2.352 1.00 0.34 C ATOM 115 O TYR C 16 45.846 -3.437 2.567 1.00 0.38 O ATOM 116 CB TYR C 16 48.468 -3.704 1.114 1.00 0.31 C ATOM 117 CG TYR C 16 49.110 -3.701 2.470 1.00 0.31 C ATOM 118 CD1 TYR C 16 49.569 -4.900 3.003 1.00 1.10 C ATOM 119 CD2 TYR C 16 49.256 -2.510 3.184 1.00 1.06 C ATOM 120 CE1 TYR C 16 50.177 -4.921 4.263 1.00 1.14 C ATOM 121 CE2 TYR C 16 49.864 -2.522 4.444 1.00 1.04 C ATOM 122 CZ TYR C 16 50.325 -3.730 4.985 1.00 0.35 C ATOM 123 OH TYR C 16 50.925 -3.745 6.228 1.00 0.39 O ATOM 124 H TYR C 16 46.318 -3.516 -0.450 1.00 0.39 H ATOM 125 HA TYR C 16 47.651 -5.674 1.062 1.00 0.33 H ATOM 126 HB2 TYR C 16 49.196 -4.036 0.394 1.00 0.30 H ATOM 127 HB3 TYR C 16 48.136 -2.707 0.866 1.00 0.32 H ATOM 128 HD1 TYR C 16 49.454 -5.809 2.434 1.00 1.86 H ATOM 129 HD2 TYR C 16 48.898 -1.583 2.763 1.00 1.84 H ATOM 130 HE1 TYR C 16 50.531 -5.853 4.678 1.00 1.93 H ATOM 131 HE2 TYR C 16 49.981 -1.602 4.996 1.00 1.81 H ATOM 132 HH TYR C 16 50.321 -4.165 6.844 1.00 0.86 H ATOM 133 N GLU C 17 46.378 -5.481 3.184 1.00 0.34 N ATOM 134 CA GLU C 17 45.578 -5.368 4.438 1.00 0.37 C ATOM 135 C GLU C 17 46.498 -4.949 5.588 1.00 0.37 C ATOM 136 O GLU C 17 47.125 -5.772 6.225 1.00 0.58 O ATOM 137 CB GLU C 17 44.930 -6.717 4.763 1.00 0.43 C ATOM 138 CG GLU C 17 45.910 -7.849 4.448 1.00 1.48 C ATOM 139 CD GLU C 17 45.366 -9.165 5.008 1.00 2.04 C ATOM 140 OE1 GLU C 17 44.472 -9.723 4.394 1.00 2.73 O ATOM 141 OE2 GLU C 17 45.853 -9.591 6.042 1.00 2.49 O ATOM 142 H GLU C 17 46.868 -6.309 2.985 1.00 0.35 H ATOM 143 HA GLU C 17 44.808 -4.623 4.305 1.00 0.39 H ATOM 144 HB2 GLU C 17 44.671 -6.747 5.811 1.00 1.08 H ATOM 145 HB3 GLU C 17 44.038 -6.839 4.168 1.00 1.11 H ATOM 146 HG2 GLU C 17 46.028 -7.935 3.377 1.00 2.14 H ATOM 147 HG3 GLU C 17 46.866 -7.635 4.900 1.00 2.12 H ATOM 148 N SER C 18 46.587 -3.673 5.854 1.00 0.43 N ATOM 149 CA SER C 18 47.471 -3.196 6.956 1.00 0.45 C ATOM 150 C SER C 18 46.974 -3.743 8.297 1.00 0.48 C ATOM 151 O SER C 18 45.828 -4.122 8.439 1.00 0.62 O ATOM 152 CB SER C 18 47.451 -1.667 6.994 1.00 0.58 C ATOM 153 OG SER C 18 46.547 -1.231 8.001 1.00 1.44 O ATOM 154 H SER C 18 46.076 -3.027 5.325 1.00 0.62 H ATOM 155 HA SER C 18 48.480 -3.537 6.781 1.00 0.53 H ATOM 156 HB2 SER C 18 48.438 -1.298 7.220 1.00 1.13 H ATOM 157 HB3 SER C 18 47.141 -1.288 6.029 1.00 1.14 H ATOM 158 HG SER C 18 46.175 -0.391 7.723 1.00 1.74 H ATOM 159 N ARG C 19 47.831 -3.786 9.282 1.00 0.63 N ATOM 160 CA ARG C 19 47.410 -4.308 10.614 1.00 0.83 C ATOM 161 C ARG C 19 47.714 -3.270 11.700 1.00 0.80 C ATOM 162 O ARG C 19 47.169 -3.319 12.785 1.00 1.02 O ATOM 163 CB ARG C 19 48.173 -5.599 10.921 1.00 1.08 C ATOM 164 CG ARG C 19 47.730 -6.698 9.952 1.00 1.39 C ATOM 165 CD ARG C 19 48.961 -7.416 9.395 1.00 1.92 C ATOM 166 NE ARG C 19 48.525 -8.542 8.521 1.00 2.62 N ATOM 167 CZ ARG C 19 48.091 -9.654 9.051 1.00 3.23 C ATOM 168 NH1 ARG C 19 48.041 -9.787 10.350 1.00 3.32 N ATOM 169 NH2 ARG C 19 47.709 -10.635 8.280 1.00 4.22 N ATOM 170 H ARG C 19 48.750 -3.477 9.144 1.00 0.74 H ATOM 171 HA ARG C 19 46.350 -4.513 10.601 1.00 0.97 H ATOM 172 HB2 ARG C 19 49.234 -5.426 10.810 1.00 1.27 H ATOM 173 HB3 ARG C 19 47.963 -5.909 11.933 1.00 1.39 H ATOM 174 HG2 ARG C 19 47.105 -7.407 10.475 1.00 1.73 H ATOM 175 HG3 ARG C 19 47.174 -6.258 9.138 1.00 1.97 H ATOM 176 HD2 ARG C 19 49.554 -6.721 8.818 1.00 2.35 H ATOM 177 HD3 ARG C 19 49.553 -7.803 10.212 1.00 2.38 H ATOM 178 HE ARG C 19 48.564 -8.447 7.546 1.00 3.09 H ATOM 179 HH11 ARG C 19 48.335 -9.037 10.942 1.00 2.99 H ATOM 180 HH12 ARG C 19 47.706 -10.639 10.752 1.00 4.05 H ATOM 181 HH21 ARG C 19 47.750 -10.535 7.286 1.00 4.58 H ATOM 182 HH22 ARG C 19 47.376 -11.488 8.684 1.00 4.81 H ATOM 183 N THR C 20 48.579 -2.332 11.422 1.00 0.74 N ATOM 184 CA THR C 20 48.910 -1.301 12.446 1.00 0.87 C ATOM 185 C THR C 20 48.269 0.031 12.056 1.00 0.99 C ATOM 186 O THR C 20 47.673 0.161 11.004 1.00 1.17 O ATOM 187 CB THR C 20 50.429 -1.131 12.533 1.00 1.00 C ATOM 188 OG1 THR C 20 50.729 0.122 13.132 1.00 1.20 O ATOM 189 CG2 THR C 20 51.037 -1.187 11.131 1.00 1.02 C ATOM 190 H THR C 20 49.010 -2.306 10.544 1.00 0.76 H ATOM 191 HA THR C 20 48.528 -1.614 13.406 1.00 1.06 H ATOM 192 HB THR C 20 50.846 -1.925 13.133 1.00 1.28 H ATOM 193 HG1 THR C 20 51.006 -0.041 14.037 1.00 1.44 H ATOM 194 HG21 THR C 20 50.582 -0.428 10.511 1.00 1.46 H ATOM 195 HG22 THR C 20 52.101 -1.011 11.193 1.00 1.55 H ATOM 196 HG23 THR C 20 50.858 -2.160 10.699 1.00 1.43 H ATOM 197 N GLU C 21 48.382 1.022 12.897 1.00 1.30 N ATOM 198 CA GLU C 21 47.776 2.345 12.578 1.00 1.61 C ATOM 199 C GLU C 21 48.782 3.204 11.808 1.00 1.26 C ATOM 200 O GLU C 21 48.593 4.392 11.637 1.00 1.74 O ATOM 201 CB GLU C 21 47.393 3.054 13.880 1.00 2.17 C ATOM 202 CG GLU C 21 45.908 2.825 14.169 1.00 2.79 C ATOM 203 CD GLU C 21 45.539 3.485 15.499 1.00 3.42 C ATOM 204 OE1 GLU C 21 46.134 4.501 15.819 1.00 4.00 O ATOM 205 OE2 GLU C 21 44.668 2.963 16.176 1.00 3.79 O ATOM 206 H GLU C 21 48.864 0.895 13.741 1.00 1.50 H ATOM 207 HA GLU C 21 46.892 2.200 11.975 1.00 1.84 H ATOM 208 HB2 GLU C 21 47.984 2.657 14.692 1.00 2.53 H ATOM 209 HB3 GLU C 21 47.579 4.113 13.782 1.00 2.51 H ATOM 210 HG2 GLU C 21 45.316 3.257 13.375 1.00 3.06 H ATOM 211 HG3 GLU C 21 45.712 1.765 14.229 1.00 3.27 H ATOM 212 N THR C 22 49.850 2.617 11.340 1.00 0.66 N ATOM 213 CA THR C 22 50.861 3.407 10.581 1.00 0.49 C ATOM 214 C THR C 22 50.661 3.189 9.082 1.00 0.40 C ATOM 215 O THR C 22 50.673 4.121 8.304 1.00 0.69 O ATOM 216 CB THR C 22 52.270 2.952 10.967 1.00 0.72 C ATOM 217 OG1 THR C 22 52.223 1.606 11.421 1.00 1.20 O ATOM 218 CG2 THR C 22 52.819 3.848 12.076 1.00 0.86 C ATOM 219 H THR C 22 49.986 1.657 11.486 1.00 0.76 H ATOM 220 HA THR C 22 50.745 4.456 10.811 1.00 0.69 H ATOM 221 HB THR C 22 52.918 3.019 10.104 1.00 1.05 H ATOM 222 HG1 THR C 22 53.033 1.171 11.145 1.00 1.43 H ATOM 223 HG21 THR C 22 51.999 4.270 12.638 1.00 1.27 H ATOM 224 HG22 THR C 22 53.444 3.262 12.735 1.00 1.39 H ATOM 225 HG23 THR C 22 53.404 4.645 11.638 1.00 1.40 H ATOM 226 N ASP C 23 50.491 1.963 8.667 1.00 0.48 N ATOM 227 CA ASP C 23 50.309 1.691 7.215 1.00 0.42 C ATOM 228 C ASP C 23 48.821 1.618 6.869 1.00 0.43 C ATOM 229 O ASP C 23 48.000 1.229 7.675 1.00 0.55 O ATOM 230 CB ASP C 23 50.982 0.364 6.854 1.00 0.52 C ATOM 231 CG ASP C 23 52.294 0.228 7.629 1.00 1.10 C ATOM 232 OD1 ASP C 23 52.234 0.131 8.844 1.00 1.68 O ATOM 233 OD2 ASP C 23 53.336 0.222 6.995 1.00 2.00 O ATOM 234 H ASP C 23 50.495 1.223 9.309 1.00 0.81 H ATOM 235 HA ASP C 23 50.763 2.485 6.648 1.00 0.42 H ATOM 236 HB2 ASP C 23 50.325 -0.454 7.110 1.00 1.09 H ATOM 237 HB3 ASP C 23 51.189 0.342 5.795 1.00 1.14 H ATOM 238 N LEU C 24 48.475 1.984 5.663 1.00 0.39 N ATOM 239 CA LEU C 24 47.048 1.934 5.242 1.00 0.46 C ATOM 240 C LEU C 24 46.837 0.714 4.344 1.00 0.44 C ATOM 241 O LEU C 24 47.768 0.192 3.764 1.00 0.54 O ATOM 242 CB LEU C 24 46.697 3.199 4.453 1.00 0.53 C ATOM 243 CG LEU C 24 46.382 4.344 5.417 1.00 0.60 C ATOM 244 CD1 LEU C 24 46.436 5.673 4.661 1.00 1.65 C ATOM 245 CD2 LEU C 24 44.981 4.151 5.997 1.00 1.25 C ATOM 246 H LEU C 24 49.160 2.288 5.031 1.00 0.37 H ATOM 247 HA LEU C 24 46.413 1.860 6.112 1.00 0.51 H ATOM 248 HB2 LEU C 24 47.533 3.476 3.827 1.00 0.64 H ATOM 249 HB3 LEU C 24 45.833 3.008 3.834 1.00 0.63 H ATOM 250 HG LEU C 24 47.109 4.353 6.217 1.00 1.30 H ATOM 251 HD11 LEU C 24 47.400 5.779 4.188 1.00 2.24 H ATOM 252 HD12 LEU C 24 45.661 5.689 3.908 1.00 2.08 H ATOM 253 HD13 LEU C 24 46.281 6.487 5.353 1.00 2.27 H ATOM 254 HD21 LEU C 24 44.325 3.764 5.231 1.00 1.87 H ATOM 255 HD22 LEU C 24 45.025 3.454 6.820 1.00 1.82 H ATOM 256 HD23 LEU C 24 44.604 5.101 6.348 1.00 1.83 H ATOM 257 N SER C 25 45.623 0.260 4.218 1.00 0.39 N ATOM 258 CA SER C 25 45.359 -0.919 3.350 1.00 0.38 C ATOM 259 C SER C 25 44.892 -0.434 1.978 1.00 0.40 C ATOM 260 O SER C 25 44.056 0.441 1.875 1.00 0.44 O ATOM 261 CB SER C 25 44.266 -1.781 3.980 1.00 0.41 C ATOM 262 OG SER C 25 43.846 -1.186 5.201 1.00 0.44 O ATOM 263 H SER C 25 44.883 0.697 4.689 1.00 0.42 H ATOM 264 HA SER C 25 46.263 -1.499 3.242 1.00 0.36 H ATOM 265 HB2 SER C 25 43.426 -1.846 3.310 1.00 0.44 H ATOM 266 HB3 SER C 25 44.652 -2.772 4.165 1.00 0.41 H ATOM 267 HG SER C 25 42.920 -1.401 5.333 1.00 0.84 H ATOM 268 N PHE C 26 45.415 -0.991 0.920 1.00 0.39 N ATOM 269 CA PHE C 26 44.974 -0.543 -0.430 1.00 0.42 C ATOM 270 C PHE C 26 44.418 -1.729 -1.218 1.00 0.43 C ATOM 271 O PHE C 26 44.331 -2.833 -0.719 1.00 0.43 O ATOM 272 CB PHE C 26 46.138 0.086 -1.203 1.00 0.40 C ATOM 273 CG PHE C 26 47.423 -0.675 -0.983 1.00 0.37 C ATOM 274 CD1 PHE C 26 47.599 -1.924 -1.580 1.00 1.30 C ATOM 275 CD2 PHE C 26 48.455 -0.110 -0.224 1.00 1.21 C ATOM 276 CE1 PHE C 26 48.807 -2.613 -1.422 1.00 1.28 C ATOM 277 CE2 PHE C 26 49.660 -0.802 -0.057 1.00 1.22 C ATOM 278 CZ PHE C 26 49.837 -2.052 -0.659 1.00 0.33 C ATOM 279 H PHE C 26 46.084 -1.701 1.015 1.00 0.37 H ATOM 280 HA PHE C 26 44.192 0.194 -0.314 1.00 0.45 H ATOM 281 HB2 PHE C 26 45.908 0.067 -2.257 1.00 0.41 H ATOM 282 HB3 PHE C 26 46.269 1.109 -0.884 1.00 0.42 H ATOM 283 HD1 PHE C 26 46.801 -2.360 -2.158 1.00 2.21 H ATOM 284 HD2 PHE C 26 48.318 0.854 0.241 1.00 2.11 H ATOM 285 HE1 PHE C 26 48.942 -3.578 -1.885 1.00 2.18 H ATOM 286 HE2 PHE C 26 50.454 -0.370 0.532 1.00 2.14 H ATOM 287 HZ PHE C 26 50.769 -2.583 -0.536 1.00 0.33 H ATOM 288 N LYS C 27 44.030 -1.503 -2.445 1.00 0.49 N ATOM 289 CA LYS C 27 43.468 -2.611 -3.267 1.00 0.53 C ATOM 290 C LYS C 27 44.350 -2.843 -4.497 1.00 0.48 C ATOM 291 O LYS C 27 45.256 -2.082 -4.777 1.00 0.50 O ATOM 292 CB LYS C 27 42.053 -2.241 -3.714 1.00 0.62 C ATOM 293 CG LYS C 27 41.074 -2.508 -2.570 1.00 1.13 C ATOM 294 CD LYS C 27 39.691 -2.821 -3.142 1.00 1.53 C ATOM 295 CE LYS C 27 38.645 -1.949 -2.449 1.00 2.34 C ATOM 296 NZ LYS C 27 37.291 -2.284 -2.973 1.00 3.15 N ATOM 297 H LYS C 27 44.102 -0.602 -2.823 1.00 0.52 H ATOM 298 HA LYS C 27 43.431 -3.511 -2.675 1.00 0.58 H ATOM 299 HB2 LYS C 27 42.021 -1.194 -3.980 1.00 1.07 H ATOM 300 HB3 LYS C 27 41.776 -2.840 -4.569 1.00 1.07 H ATOM 301 HG2 LYS C 27 41.422 -3.349 -1.987 1.00 1.70 H ATOM 302 HG3 LYS C 27 41.010 -1.634 -1.939 1.00 1.83 H ATOM 303 HD2 LYS C 27 39.687 -2.617 -4.203 1.00 2.10 H ATOM 304 HD3 LYS C 27 39.459 -3.862 -2.975 1.00 1.83 H ATOM 305 HE2 LYS C 27 38.673 -2.130 -1.384 1.00 2.61 H ATOM 306 HE3 LYS C 27 38.858 -0.908 -2.643 1.00 2.87 H ATOM 307 HZ1 LYS C 27 37.364 -3.082 -3.636 1.00 3.69 H ATOM 308 HZ2 LYS C 27 36.669 -2.546 -2.181 1.00 3.51 H ATOM 309 HZ3 LYS C 27 36.896 -1.460 -3.468 1.00 3.39 H ATOM 310 N LYS C 28 44.092 -3.889 -5.235 1.00 0.49 N ATOM 311 CA LYS C 28 44.913 -4.172 -6.445 1.00 0.50 C ATOM 312 C LYS C 28 44.538 -3.189 -7.555 1.00 0.48 C ATOM 313 O LYS C 28 43.389 -3.072 -7.932 1.00 0.66 O ATOM 314 CB LYS C 28 44.647 -5.603 -6.917 1.00 0.61 C ATOM 315 CG LYS C 28 45.452 -5.880 -8.188 1.00 0.89 C ATOM 316 CD LYS C 28 44.523 -6.434 -9.270 1.00 1.33 C ATOM 317 CE LYS C 28 45.237 -7.551 -10.032 1.00 2.07 C ATOM 318 NZ LYS C 28 44.271 -8.231 -10.941 1.00 2.81 N ATOM 319 H LYS C 28 43.357 -4.489 -4.993 1.00 0.55 H ATOM 320 HA LYS C 28 45.960 -4.061 -6.203 1.00 0.51 H ATOM 321 HB2 LYS C 28 44.942 -6.297 -6.144 1.00 0.77 H ATOM 322 HB3 LYS C 28 43.595 -5.723 -7.128 1.00 0.74 H ATOM 323 HG2 LYS C 28 45.904 -4.962 -8.535 1.00 1.16 H ATOM 324 HG3 LYS C 28 46.224 -6.603 -7.975 1.00 1.38 H ATOM 325 HD2 LYS C 28 43.628 -6.826 -8.809 1.00 1.74 H ATOM 326 HD3 LYS C 28 44.259 -5.644 -9.957 1.00 1.92 H ATOM 327 HE2 LYS C 28 46.044 -7.131 -10.615 1.00 2.56 H ATOM 328 HE3 LYS C 28 45.636 -8.268 -9.330 1.00 2.43 H ATOM 329 HZ1 LYS C 28 43.383 -8.409 -10.432 1.00 3.19 H ATOM 330 HZ2 LYS C 28 44.081 -7.623 -11.763 1.00 3.19 H ATOM 331 HZ3 LYS C 28 44.675 -9.134 -11.263 1.00 3.17 H ATOM 332 N GLY C 29 45.499 -2.481 -8.081 1.00 0.50 N ATOM 333 CA GLY C 29 45.196 -1.505 -9.165 1.00 0.57 C ATOM 334 C GLY C 29 45.013 -0.113 -8.559 1.00 0.53 C ATOM 335 O GLY C 29 44.936 0.875 -9.262 1.00 0.60 O ATOM 336 H GLY C 29 46.419 -2.589 -7.762 1.00 0.62 H ATOM 337 HA2 GLY C 29 46.014 -1.488 -9.871 1.00 0.63 H ATOM 338 HA3 GLY C 29 44.288 -1.797 -9.670 1.00 0.65 H ATOM 339 N GLU C 30 44.943 -0.025 -7.259 1.00 0.50 N ATOM 340 CA GLU C 30 44.766 1.305 -6.612 1.00 0.53 C ATOM 341 C GLU C 30 46.049 2.122 -6.772 1.00 0.45 C ATOM 342 O GLU C 30 47.141 1.591 -6.749 1.00 0.49 O ATOM 343 CB GLU C 30 44.465 1.114 -5.124 1.00 0.62 C ATOM 344 CG GLU C 30 44.120 2.466 -4.496 1.00 0.77 C ATOM 345 CD GLU C 30 43.175 2.253 -3.312 1.00 1.04 C ATOM 346 OE1 GLU C 30 43.572 1.579 -2.376 1.00 1.13 O ATOM 347 OE2 GLU C 30 42.070 2.768 -3.362 1.00 1.87 O ATOM 348 H GLU C 30 45.007 -0.834 -6.708 1.00 0.52 H ATOM 349 HA GLU C 30 43.945 1.827 -7.081 1.00 0.62 H ATOM 350 HB2 GLU C 30 43.629 0.439 -5.010 1.00 0.91 H ATOM 351 HB3 GLU C 30 45.332 0.701 -4.631 1.00 0.94 H ATOM 352 HG2 GLU C 30 45.026 2.945 -4.153 1.00 1.15 H ATOM 353 HG3 GLU C 30 43.638 3.092 -5.231 1.00 1.20 H ATOM 354 N ARG C 31 45.927 3.411 -6.934 1.00 0.50 N ATOM 355 CA ARG C 31 47.142 4.258 -7.094 1.00 0.50 C ATOM 356 C ARG C 31 47.447 4.966 -5.773 1.00 0.44 C ATOM 357 O ARG C 31 46.566 5.489 -5.120 1.00 0.60 O ATOM 358 CB ARG C 31 46.898 5.300 -8.188 1.00 0.67 C ATOM 359 CG ARG C 31 46.287 4.620 -9.415 1.00 0.97 C ATOM 360 CD ARG C 31 46.852 5.256 -10.686 1.00 1.31 C ATOM 361 NE ARG C 31 45.926 6.322 -11.161 1.00 1.97 N ATOM 362 CZ ARG C 31 46.030 6.789 -12.376 1.00 2.71 C ATOM 363 NH1 ARG C 31 46.947 6.326 -13.182 1.00 3.06 N ATOM 364 NH2 ARG C 31 45.215 7.722 -12.785 1.00 3.62 N ATOM 365 H ARG C 31 45.037 3.821 -6.949 1.00 0.63 H ATOM 366 HA ARG C 31 47.980 3.635 -7.371 1.00 0.50 H ATOM 367 HB2 ARG C 31 46.219 6.056 -7.818 1.00 0.83 H ATOM 368 HB3 ARG C 31 47.835 5.760 -8.462 1.00 0.77 H ATOM 369 HG2 ARG C 31 46.528 3.567 -9.399 1.00 1.62 H ATOM 370 HG3 ARG C 31 45.215 4.744 -9.399 1.00 1.57 H ATOM 371 HD2 ARG C 31 47.819 5.687 -10.474 1.00 1.85 H ATOM 372 HD3 ARG C 31 46.955 4.501 -11.451 1.00 1.92 H ATOM 373 HE ARG C 31 45.236 6.673 -10.559 1.00 2.39 H ATOM 374 HH11 ARG C 31 47.573 5.611 -12.872 1.00 2.87 H ATOM 375 HH12 ARG C 31 47.022 6.686 -14.112 1.00 3.86 H ATOM 376 HH21 ARG C 31 44.512 8.078 -12.169 1.00 3.90 H ATOM 377 HH22 ARG C 31 45.293 8.082 -13.715 1.00 4.26 H ATOM 378 N LEU C 32 48.689 4.988 -5.375 1.00 0.36 N ATOM 379 CA LEU C 32 49.049 5.663 -4.096 1.00 0.38 C ATOM 380 C LEU C 32 50.279 6.545 -4.314 1.00 0.40 C ATOM 381 O LEU C 32 51.259 6.127 -4.899 1.00 0.61 O ATOM 382 CB LEU C 32 49.361 4.609 -3.032 1.00 0.49 C ATOM 383 CG LEU C 32 48.121 3.748 -2.786 1.00 0.63 C ATOM 384 CD1 LEU C 32 48.348 2.348 -3.359 1.00 0.88 C ATOM 385 CD2 LEU C 32 47.863 3.645 -1.281 1.00 0.72 C ATOM 386 H LEU C 32 49.385 4.560 -5.916 1.00 0.42 H ATOM 387 HA LEU C 32 48.222 6.274 -3.766 1.00 0.43 H ATOM 388 HB2 LEU C 32 50.173 3.983 -3.373 1.00 0.64 H ATOM 389 HB3 LEU C 32 49.645 5.098 -2.113 1.00 0.62 H ATOM 390 HG LEU C 32 47.267 4.201 -3.269 1.00 0.90 H ATOM 391 HD11 LEU C 32 48.898 2.424 -4.286 1.00 1.50 H ATOM 392 HD12 LEU C 32 48.913 1.757 -2.653 1.00 1.32 H ATOM 393 HD13 LEU C 32 47.395 1.875 -3.544 1.00 1.32 H ATOM 394 HD21 LEU C 32 48.705 4.057 -0.743 1.00 1.34 H ATOM 395 HD22 LEU C 32 46.970 4.198 -1.030 1.00 1.23 H ATOM 396 HD23 LEU C 32 47.734 2.609 -1.007 1.00 1.30 H ATOM 397 N GLN C 33 50.238 7.762 -3.848 1.00 0.38 N ATOM 398 CA GLN C 33 51.406 8.668 -4.028 1.00 0.45 C ATOM 399 C GLN C 33 52.521 8.256 -3.065 1.00 0.44 C ATOM 400 O GLN C 33 52.360 8.294 -1.861 1.00 0.79 O ATOM 401 CB GLN C 33 50.983 10.109 -3.735 1.00 0.55 C ATOM 402 CG GLN C 33 51.575 11.040 -4.794 1.00 1.16 C ATOM 403 CD GLN C 33 51.445 12.491 -4.327 1.00 1.71 C ATOM 404 OE1 GLN C 33 52.238 13.334 -4.696 1.00 2.31 O ATOM 405 NE2 GLN C 33 50.471 12.819 -3.523 1.00 2.38 N ATOM 406 H GLN C 33 49.438 8.080 -3.378 1.00 0.48 H ATOM 407 HA GLN C 33 51.763 8.597 -5.045 1.00 0.50 H ATOM 408 HB2 GLN C 33 49.905 10.178 -3.756 1.00 0.92 H ATOM 409 HB3 GLN C 33 51.344 10.399 -2.760 1.00 1.03 H ATOM 410 HG2 GLN C 33 52.618 10.800 -4.941 1.00 1.95 H ATOM 411 HG3 GLN C 33 51.041 10.915 -5.724 1.00 1.51 H ATOM 412 HE21 GLN C 33 49.832 12.138 -3.225 1.00 2.62 H ATOM 413 HE22 GLN C 33 50.378 13.745 -3.217 1.00 2.99 H ATOM 414 N ILE C 34 53.650 7.861 -3.584 1.00 0.45 N ATOM 415 CA ILE C 34 54.772 7.444 -2.697 1.00 0.42 C ATOM 416 C ILE C 34 55.384 8.676 -2.026 1.00 0.39 C ATOM 417 O ILE C 34 55.535 9.717 -2.635 1.00 0.51 O ATOM 418 CB ILE C 34 55.842 6.733 -3.528 1.00 0.47 C ATOM 419 CG1 ILE C 34 55.300 5.385 -4.010 1.00 0.61 C ATOM 420 CG2 ILE C 34 57.087 6.502 -2.669 1.00 0.51 C ATOM 421 CD1 ILE C 34 54.862 4.549 -2.805 1.00 0.54 C ATOM 422 H ILE C 34 53.760 7.836 -4.558 1.00 0.74 H ATOM 423 HA ILE C 34 54.400 6.771 -1.939 1.00 0.41 H ATOM 424 HB ILE C 34 56.102 7.345 -4.380 1.00 0.51 H ATOM 425 HG12 ILE C 34 54.454 5.550 -4.662 1.00 0.81 H ATOM 426 HG13 ILE C 34 56.072 4.858 -4.550 1.00 0.89 H ATOM 427 HG21 ILE C 34 56.788 6.212 -1.673 1.00 1.25 H ATOM 428 HG22 ILE C 34 57.687 5.718 -3.107 1.00 1.10 H ATOM 429 HG23 ILE C 34 57.665 7.413 -2.620 1.00 1.08 H ATOM 430 HD11 ILE C 34 55.605 4.626 -2.025 1.00 1.11 H ATOM 431 HD12 ILE C 34 53.915 4.916 -2.438 1.00 1.33 H ATOM 432 HD13 ILE C 34 54.758 3.516 -3.103 1.00 1.00 H ATOM 433 N VAL C 35 55.740 8.565 -0.775 1.00 0.35 N ATOM 434 CA VAL C 35 56.345 9.727 -0.064 1.00 0.37 C ATOM 435 C VAL C 35 57.801 9.411 0.275 1.00 0.42 C ATOM 436 O VAL C 35 58.718 9.910 -0.347 1.00 0.51 O ATOM 437 CB VAL C 35 55.569 9.999 1.227 1.00 0.38 C ATOM 438 CG1 VAL C 35 56.083 11.289 1.869 1.00 0.48 C ATOM 439 CG2 VAL C 35 54.081 10.150 0.904 1.00 0.41 C ATOM 440 H VAL C 35 55.611 7.716 -0.304 1.00 0.39 H ATOM 441 HA VAL C 35 56.305 10.598 -0.697 1.00 0.40 H ATOM 442 HB VAL C 35 55.710 9.176 1.913 1.00 0.38 H ATOM 443 HG11 VAL C 35 57.157 11.235 1.975 1.00 1.13 H ATOM 444 HG12 VAL C 35 55.825 12.131 1.244 1.00 1.01 H ATOM 445 HG13 VAL C 35 55.631 11.412 2.842 1.00 1.23 H ATOM 446 HG21 VAL C 35 53.758 9.317 0.298 1.00 1.10 H ATOM 447 HG22 VAL C 35 53.514 10.170 1.823 1.00 1.09 H ATOM 448 HG23 VAL C 35 53.922 11.072 0.364 1.00 1.09 H ATOM 449 N ASN C 36 58.019 8.583 1.256 1.00 0.45 N ATOM 450 CA ASN C 36 59.412 8.226 1.639 1.00 0.54 C ATOM 451 C ASN C 36 59.655 6.750 1.323 1.00 0.47 C ATOM 452 O ASN C 36 59.035 5.874 1.894 1.00 0.43 O ATOM 453 CB ASN C 36 59.609 8.467 3.137 1.00 0.66 C ATOM 454 CG ASN C 36 60.915 9.230 3.364 1.00 1.19 C ATOM 455 OD1 ASN C 36 61.792 9.219 2.523 1.00 1.80 O ATOM 456 ND2 ASN C 36 61.083 9.896 4.473 1.00 1.86 N ATOM 457 H ASN C 36 57.263 8.192 1.740 1.00 0.45 H ATOM 458 HA ASN C 36 60.107 8.834 1.080 1.00 0.62 H ATOM 459 HB2 ASN C 36 58.781 9.047 3.519 1.00 1.07 H ATOM 460 HB3 ASN C 36 59.653 7.520 3.652 1.00 0.91 H ATOM 461 HD21 ASN C 36 60.376 9.904 5.151 1.00 2.25 H ATOM 462 HD22 ASN C 36 61.916 10.387 4.629 1.00 2.33 H ATOM 463 N ASN C 37 60.548 6.468 0.414 1.00 0.56 N ATOM 464 CA ASN C 37 60.826 5.049 0.059 1.00 0.57 C ATOM 465 C ASN C 37 62.330 4.782 0.143 1.00 0.72 C ATOM 466 O ASN C 37 62.910 4.165 -0.729 1.00 1.22 O ATOM 467 CB ASN C 37 60.338 4.775 -1.365 1.00 0.74 C ATOM 468 CG ASN C 37 60.980 5.778 -2.325 1.00 1.26 C ATOM 469 OD1 ASN C 37 61.932 6.448 -1.975 1.00 1.96 O ATOM 470 ND2 ASN C 37 60.497 5.912 -3.530 1.00 1.97 N ATOM 471 H ASN C 37 61.034 7.190 -0.037 1.00 0.67 H ATOM 472 HA ASN C 37 60.307 4.401 0.747 1.00 0.55 H ATOM 473 HB2 ASN C 37 60.614 3.771 -1.654 1.00 1.06 H ATOM 474 HB3 ASN C 37 59.264 4.880 -1.405 1.00 1.30 H ATOM 475 HD21 ASN C 37 59.729 5.373 -3.813 1.00 2.30 H ATOM 476 HD22 ASN C 37 60.901 6.552 -4.152 1.00 2.55 H ATOM 477 N THR C 38 62.966 5.240 1.185 1.00 0.92 N ATOM 478 CA THR C 38 64.432 5.010 1.323 1.00 1.09 C ATOM 479 C THR C 38 64.736 4.499 2.732 1.00 1.37 C ATOM 480 O THR C 38 65.874 4.464 3.158 1.00 1.86 O ATOM 481 CB THR C 38 65.179 6.324 1.084 1.00 1.28 C ATOM 482 OG1 THR C 38 66.579 6.077 1.086 1.00 1.48 O ATOM 483 CG2 THR C 38 64.832 7.319 2.193 1.00 1.46 C ATOM 484 H THR C 38 62.480 5.735 1.878 1.00 1.31 H ATOM 485 HA THR C 38 64.751 4.277 0.597 1.00 1.14 H ATOM 486 HB THR C 38 64.887 6.738 0.132 1.00 1.32 H ATOM 487 HG1 THR C 38 67.006 6.791 0.608 1.00 1.85 H ATOM 488 HG21 THR C 38 63.761 7.357 2.319 1.00 1.82 H ATOM 489 HG22 THR C 38 65.292 7.002 3.118 1.00 1.86 H ATOM 490 HG23 THR C 38 65.199 8.298 1.926 1.00 1.82 H ATOM 491 N GLU C 39 63.729 4.101 3.460 1.00 1.46 N ATOM 492 CA GLU C 39 63.961 3.593 4.841 1.00 1.87 C ATOM 493 C GLU C 39 64.193 2.083 4.796 1.00 1.30 C ATOM 494 O GLU C 39 65.171 1.577 5.311 1.00 1.76 O ATOM 495 CB GLU C 39 62.738 3.894 5.708 1.00 2.52 C ATOM 496 CG GLU C 39 63.082 3.653 7.179 1.00 3.45 C ATOM 497 CD GLU C 39 63.794 4.882 7.746 1.00 4.04 C ATOM 498 OE1 GLU C 39 63.109 5.825 8.107 1.00 4.51 O ATOM 499 OE2 GLU C 39 65.012 4.860 7.809 1.00 4.47 O ATOM 500 H GLU C 39 62.819 4.137 3.098 1.00 1.53 H ATOM 501 HA GLU C 39 64.828 4.075 5.260 1.00 2.37 H ATOM 502 HB2 GLU C 39 62.445 4.925 5.570 1.00 2.84 H ATOM 503 HB3 GLU C 39 61.924 3.247 5.420 1.00 2.57 H ATOM 504 HG2 GLU C 39 62.174 3.472 7.736 1.00 3.92 H ATOM 505 HG3 GLU C 39 63.731 2.794 7.260 1.00 3.78 H ATOM 506 N GLY C 40 63.300 1.361 4.183 1.00 0.85 N ATOM 507 CA GLY C 40 63.462 -0.118 4.101 1.00 0.58 C ATOM 508 C GLY C 40 62.407 -0.697 3.157 1.00 0.49 C ATOM 509 O GLY C 40 62.196 -0.203 2.067 1.00 0.58 O ATOM 510 H GLY C 40 62.522 1.794 3.777 1.00 1.30 H ATOM 511 HA2 GLY C 40 64.449 -0.351 3.727 1.00 0.77 H ATOM 512 HA3 GLY C 40 63.337 -0.549 5.083 1.00 0.87 H ATOM 513 N ASP C 41 61.743 -1.742 3.567 1.00 0.39 N ATOM 514 CA ASP C 41 60.702 -2.354 2.694 1.00 0.35 C ATOM 515 C ASP C 41 59.348 -1.706 2.981 1.00 0.32 C ATOM 516 O ASP C 41 58.312 -2.225 2.615 1.00 0.52 O ATOM 517 CB ASP C 41 60.616 -3.854 2.982 1.00 0.40 C ATOM 518 CG ASP C 41 61.945 -4.521 2.622 1.00 0.80 C ATOM 519 OD1 ASP C 41 62.913 -4.285 3.326 1.00 1.51 O ATOM 520 OD2 ASP C 41 61.971 -5.256 1.649 1.00 1.42 O ATOM 521 H ASP C 41 61.930 -2.126 4.449 1.00 0.40 H ATOM 522 HA ASP C 41 60.964 -2.201 1.658 1.00 0.38 H ATOM 523 HB2 ASP C 41 60.407 -4.007 4.032 1.00 0.60 H ATOM 524 HB3 ASP C 41 59.825 -4.289 2.390 1.00 0.55 H ATOM 525 N TRP C 42 59.343 -0.579 3.637 1.00 0.33 N ATOM 526 CA TRP C 42 58.050 0.092 3.946 1.00 0.31 C ATOM 527 C TRP C 42 58.154 1.585 3.628 1.00 0.31 C ATOM 528 O TRP C 42 58.980 2.292 4.170 1.00 0.40 O ATOM 529 CB TRP C 42 57.721 -0.104 5.427 1.00 0.32 C ATOM 530 CG TRP C 42 57.255 -1.509 5.642 1.00 0.29 C ATOM 531 CD1 TRP C 42 58.039 -2.536 6.046 1.00 0.30 C ATOM 532 CD2 TRP C 42 55.918 -2.059 5.466 1.00 0.29 C ATOM 533 NE1 TRP C 42 57.266 -3.681 6.132 1.00 0.30 N ATOM 534 CE2 TRP C 42 55.952 -3.438 5.784 1.00 0.29 C ATOM 535 CE3 TRP C 42 54.691 -1.501 5.066 1.00 0.33 C ATOM 536 CZ2 TRP C 42 54.807 -4.234 5.707 1.00 0.32 C ATOM 537 CZ3 TRP C 42 53.538 -2.299 4.988 1.00 0.36 C ATOM 538 CH2 TRP C 42 53.597 -3.662 5.307 1.00 0.35 C ATOM 539 H TRP C 42 60.187 -0.175 3.927 1.00 0.51 H ATOM 540 HA TRP C 42 57.268 -0.348 3.345 1.00 0.30 H ATOM 541 HB2 TRP C 42 58.604 0.080 6.021 1.00 0.35 H ATOM 542 HB3 TRP C 42 56.940 0.582 5.718 1.00 0.35 H ATOM 543 HD1 TRP C 42 59.095 -2.473 6.266 1.00 0.34 H ATOM 544 HE1 TRP C 42 57.593 -4.565 6.405 1.00 0.34 H ATOM 545 HE3 TRP C 42 54.635 -0.451 4.818 1.00 0.36 H ATOM 546 HZ2 TRP C 42 54.857 -5.284 5.953 1.00 0.34 H ATOM 547 HZ3 TRP C 42 52.601 -1.859 4.679 1.00 0.42 H ATOM 548 HH2 TRP C 42 52.707 -4.271 5.244 1.00 0.40 H ATOM 549 N TRP C 43 57.321 2.065 2.746 1.00 0.30 N ATOM 550 CA TRP C 43 57.362 3.509 2.377 1.00 0.31 C ATOM 551 C TRP C 43 56.066 4.183 2.825 1.00 0.31 C ATOM 552 O TRP C 43 55.050 3.540 2.993 1.00 0.31 O ATOM 553 CB TRP C 43 57.491 3.633 0.860 1.00 0.33 C ATOM 554 CG TRP C 43 58.498 2.652 0.359 1.00 0.33 C ATOM 555 CD1 TRP C 43 59.581 2.216 1.045 1.00 0.38 C ATOM 556 CD2 TRP C 43 58.531 1.981 -0.926 1.00 0.34 C ATOM 557 NE1 TRP C 43 60.280 1.323 0.251 1.00 0.42 N ATOM 558 CE2 TRP C 43 59.668 1.143 -0.974 1.00 0.39 C ATOM 559 CE3 TRP C 43 57.687 2.022 -2.044 1.00 0.34 C ATOM 560 CZ2 TRP C 43 59.959 0.371 -2.099 1.00 0.44 C ATOM 561 CZ3 TRP C 43 57.972 1.247 -3.179 1.00 0.38 C ATOM 562 CH2 TRP C 43 59.107 0.422 -3.207 1.00 0.42 C ATOM 563 H TRP C 43 56.667 1.473 2.320 1.00 0.33 H ATOM 564 HA TRP C 43 58.206 3.984 2.854 1.00 0.33 H ATOM 565 HB2 TRP C 43 56.534 3.429 0.407 1.00 0.33 H ATOM 566 HB3 TRP C 43 57.801 4.630 0.598 1.00 0.37 H ATOM 567 HD1 TRP C 43 59.858 2.520 2.044 1.00 0.40 H ATOM 568 HE1 TRP C 43 61.106 0.862 0.510 1.00 0.47 H ATOM 569 HE3 TRP C 43 56.812 2.657 -2.027 1.00 0.34 H ATOM 570 HZ2 TRP C 43 60.834 -0.262 -2.114 1.00 0.50 H ATOM 571 HZ3 TRP C 43 57.313 1.284 -4.033 1.00 0.40 H ATOM 572 HH2 TRP C 43 59.322 -0.172 -4.083 1.00 0.47 H ATOM 573 N LEU C 44 56.086 5.476 3.010 1.00 0.32 N ATOM 574 CA LEU C 44 54.843 6.181 3.435 1.00 0.33 C ATOM 575 C LEU C 44 54.080 6.645 2.194 1.00 0.35 C ATOM 576 O LEU C 44 54.521 7.516 1.473 1.00 0.53 O ATOM 577 CB LEU C 44 55.198 7.382 4.316 1.00 0.36 C ATOM 578 CG LEU C 44 53.913 8.014 4.854 1.00 0.40 C ATOM 579 CD1 LEU C 44 53.265 7.070 5.869 1.00 0.87 C ATOM 580 CD2 LEU C 44 54.247 9.341 5.538 1.00 0.84 C ATOM 581 H LEU C 44 56.912 5.981 2.857 1.00 0.33 H ATOM 582 HA LEU C 44 54.226 5.502 3.994 1.00 0.33 H ATOM 583 HB2 LEU C 44 55.810 7.051 5.147 1.00 0.37 H ATOM 584 HB3 LEU C 44 55.741 8.111 3.733 1.00 0.37 H ATOM 585 HG LEU C 44 53.228 8.189 4.037 1.00 0.55 H ATOM 586 HD11 LEU C 44 53.389 6.049 5.542 1.00 1.44 H ATOM 587 HD12 LEU C 44 53.736 7.198 6.832 1.00 1.53 H ATOM 588 HD13 LEU C 44 52.213 7.295 5.951 1.00 1.31 H ATOM 589 HD21 LEU C 44 55.301 9.549 5.427 1.00 1.52 H ATOM 590 HD22 LEU C 44 53.673 10.135 5.083 1.00 1.37 H ATOM 591 HD23 LEU C 44 54.002 9.276 6.588 1.00 1.27 H ATOM 592 N ALA C 45 52.941 6.062 1.928 1.00 0.34 N ATOM 593 CA ALA C 45 52.165 6.467 0.721 1.00 0.36 C ATOM 594 C ALA C 45 51.026 7.407 1.121 1.00 0.32 C ATOM 595 O ALA C 45 50.739 7.596 2.286 1.00 0.42 O ATOM 596 CB ALA C 45 51.581 5.223 0.050 1.00 0.50 C ATOM 597 H ALA C 45 52.602 5.353 2.516 1.00 0.46 H ATOM 598 HA ALA C 45 52.819 6.974 0.028 1.00 0.39 H ATOM 599 HB1 ALA C 45 50.990 4.671 0.766 1.00 1.12 H ATOM 600 HB2 ALA C 45 50.957 5.520 -0.780 1.00 1.24 H ATOM 601 HB3 ALA C 45 52.385 4.598 -0.310 1.00 1.04 H ATOM 602 N HIS C 46 50.373 7.995 0.155 1.00 0.34 N ATOM 603 CA HIS C 46 49.249 8.922 0.462 1.00 0.39 C ATOM 604 C HIS C 46 48.090 8.640 -0.499 1.00 0.49 C ATOM 605 O HIS C 46 48.179 8.894 -1.684 1.00 0.57 O ATOM 606 CB HIS C 46 49.722 10.370 0.292 1.00 0.53 C ATOM 607 CG HIS C 46 48.533 11.291 0.244 1.00 0.69 C ATOM 608 ND1 HIS C 46 47.807 11.623 1.377 1.00 0.96 N ATOM 609 CD2 HIS C 46 47.930 11.956 -0.795 1.00 0.96 C ATOM 610 CE1 HIS C 46 46.819 12.453 0.996 1.00 1.06 C ATOM 611 NE2 HIS C 46 46.848 12.689 -0.318 1.00 1.05 N ATOM 612 H HIS C 46 50.624 7.823 -0.776 1.00 0.43 H ATOM 613 HA HIS C 46 48.920 8.766 1.479 1.00 0.43 H ATOM 614 HB2 HIS C 46 50.353 10.641 1.125 1.00 0.58 H ATOM 615 HB3 HIS C 46 50.282 10.458 -0.627 1.00 0.59 H ATOM 616 HD1 HIS C 46 47.982 11.311 2.289 1.00 1.21 H ATOM 617 HD2 HIS C 46 48.248 11.917 -1.827 1.00 1.25 H ATOM 618 HE1 HIS C 46 46.089 12.876 1.671 1.00 1.32 H ATOM 619 N SER C 47 47.005 8.116 0.001 1.00 0.61 N ATOM 620 CA SER C 47 45.845 7.818 -0.885 1.00 0.79 C ATOM 621 C SER C 47 45.258 9.126 -1.419 1.00 0.83 C ATOM 622 O SER C 47 44.938 10.026 -0.668 1.00 0.89 O ATOM 623 CB SER C 47 44.776 7.067 -0.091 1.00 0.96 C ATOM 624 OG SER C 47 45.303 5.819 0.341 1.00 1.10 O ATOM 625 H SER C 47 46.953 7.918 0.959 1.00 0.64 H ATOM 626 HA SER C 47 46.173 7.207 -1.714 1.00 0.88 H ATOM 627 HB2 SER C 47 44.489 7.648 0.770 1.00 1.09 H ATOM 628 HB3 SER C 47 43.909 6.906 -0.719 1.00 1.21 H ATOM 629 HG SER C 47 44.573 5.201 0.422 1.00 1.47 H ATOM 630 N LEU C 48 45.111 9.238 -2.711 1.00 1.06 N ATOM 631 CA LEU C 48 44.543 10.488 -3.291 1.00 1.23 C ATOM 632 C LEU C 48 43.021 10.359 -3.386 1.00 1.38 C ATOM 633 O LEU C 48 42.323 11.317 -3.653 1.00 1.54 O ATOM 634 CB LEU C 48 45.123 10.711 -4.690 1.00 1.51 C ATOM 635 CG LEU C 48 46.646 10.820 -4.600 1.00 1.39 C ATOM 636 CD1 LEU C 48 47.259 10.561 -5.978 1.00 1.75 C ATOM 637 CD2 LEU C 48 47.029 12.224 -4.128 1.00 1.47 C ATOM 638 H LEU C 48 45.374 8.500 -3.300 1.00 1.25 H ATOM 639 HA LEU C 48 44.795 11.326 -2.658 1.00 1.16 H ATOM 640 HB2 LEU C 48 44.857 9.880 -5.326 1.00 1.77 H ATOM 641 HB3 LEU C 48 44.723 11.624 -5.103 1.00 1.76 H ATOM 642 HG LEU C 48 47.018 10.087 -3.898 1.00 1.27 H ATOM 643 HD11 LEU C 48 46.472 10.356 -6.689 1.00 2.15 H ATOM 644 HD12 LEU C 48 47.812 11.433 -6.295 1.00 2.14 H ATOM 645 HD13 LEU C 48 47.924 9.713 -5.922 1.00 1.97 H ATOM 646 HD21 LEU C 48 46.596 12.957 -4.792 1.00 1.81 H ATOM 647 HD22 LEU C 48 46.657 12.382 -3.126 1.00 1.92 H ATOM 648 HD23 LEU C 48 48.104 12.325 -4.133 1.00 1.77 H ATOM 649 N THR C 49 42.502 9.182 -3.168 1.00 1.49 N ATOM 650 CA THR C 49 41.026 8.992 -3.245 1.00 1.75 C ATOM 651 C THR C 49 40.349 9.824 -2.154 1.00 1.72 C ATOM 652 O THR C 49 39.543 10.690 -2.430 1.00 1.88 O ATOM 653 CB THR C 49 40.692 7.513 -3.041 1.00 1.99 C ATOM 654 OG1 THR C 49 41.578 6.718 -3.816 1.00 2.06 O ATOM 655 CG2 THR C 49 39.250 7.248 -3.477 1.00 2.48 C ATOM 656 H THR C 49 43.082 8.422 -2.954 1.00 1.51 H ATOM 657 HA THR C 49 40.672 9.312 -4.214 1.00 1.92 H ATOM 658 HB THR C 49 40.800 7.260 -1.997 1.00 1.95 H ATOM 659 HG1 THR C 49 41.932 6.029 -3.249 1.00 2.57 H ATOM 660 HG21 THR C 49 38.851 8.130 -3.954 1.00 2.98 H ATOM 661 HG22 THR C 49 39.230 6.422 -4.172 1.00 2.69 H ATOM 662 HG23 THR C 49 38.652 7.005 -2.611 1.00 2.69 H ATOM 663 N THR C 50 40.669 9.568 -0.915 1.00 1.70 N ATOM 664 CA THR C 50 40.044 10.344 0.192 1.00 1.84 C ATOM 665 C THR C 50 41.023 11.414 0.680 1.00 1.58 C ATOM 666 O THR C 50 40.647 12.538 0.946 1.00 1.88 O ATOM 667 CB THR C 50 39.703 9.400 1.347 1.00 2.12 C ATOM 668 OG1 THR C 50 39.020 10.124 2.361 1.00 2.59 O ATOM 669 CG2 THR C 50 40.990 8.806 1.919 1.00 2.50 C ATOM 670 H THR C 50 41.322 8.865 -0.713 1.00 1.71 H ATOM 671 HA THR C 50 39.141 10.818 -0.165 1.00 2.10 H ATOM 672 HB THR C 50 39.072 8.602 0.987 1.00 2.55 H ATOM 673 HG1 THR C 50 38.150 9.734 2.469 1.00 2.96 H ATOM 674 HG21 THR C 50 41.601 8.426 1.113 1.00 2.83 H ATOM 675 HG22 THR C 50 41.534 9.571 2.453 1.00 2.76 H ATOM 676 HG23 THR C 50 40.745 8.000 2.596 1.00 2.99 H ATOM 677 N GLY C 51 42.277 11.074 0.798 1.00 1.33 N ATOM 678 CA GLY C 51 43.279 12.072 1.267 1.00 1.21 C ATOM 679 C GLY C 51 43.840 11.638 2.623 1.00 1.21 C ATOM 680 O GLY C 51 43.812 12.381 3.584 1.00 1.91 O ATOM 681 H GLY C 51 42.561 10.162 0.577 1.00 1.48 H ATOM 682 HA2 GLY C 51 44.084 12.139 0.548 1.00 1.10 H ATOM 683 HA3 GLY C 51 42.807 13.037 1.369 1.00 1.40 H ATOM 684 N GLN C 52 44.350 10.441 2.707 1.00 0.89 N ATOM 685 CA GLN C 52 44.915 9.959 3.999 1.00 0.94 C ATOM 686 C GLN C 52 46.344 9.466 3.774 1.00 0.76 C ATOM 687 O GLN C 52 46.794 9.329 2.654 1.00 0.81 O ATOM 688 CB GLN C 52 44.058 8.810 4.536 1.00 1.20 C ATOM 689 CG GLN C 52 42.768 9.372 5.137 1.00 1.54 C ATOM 690 CD GLN C 52 42.335 8.501 6.318 1.00 2.20 C ATOM 691 OE1 GLN C 52 42.372 8.934 7.453 1.00 2.74 O ATOM 692 NE2 GLN C 52 41.923 7.283 6.098 1.00 2.88 N ATOM 693 H GLN C 52 44.365 9.858 1.920 1.00 1.16 H ATOM 694 HA GLN C 52 44.921 10.769 4.714 1.00 1.09 H ATOM 695 HB2 GLN C 52 43.815 8.135 3.728 1.00 1.26 H ATOM 696 HB3 GLN C 52 44.606 8.278 5.299 1.00 1.34 H ATOM 697 HG2 GLN C 52 42.940 10.383 5.477 1.00 1.98 H ATOM 698 HG3 GLN C 52 41.991 9.371 4.388 1.00 1.68 H ATOM 699 HE21 GLN C 52 41.893 6.933 5.183 1.00 3.05 H ATOM 700 HE22 GLN C 52 41.643 6.717 6.848 1.00 3.52 H ATOM 701 N THR C 53 47.063 9.197 4.829 1.00 0.68 N ATOM 702 CA THR C 53 48.462 8.713 4.667 1.00 0.57 C ATOM 703 C THR C 53 48.626 7.370 5.378 1.00 0.46 C ATOM 704 O THR C 53 47.994 7.103 6.380 1.00 0.57 O ATOM 705 CB THR C 53 49.434 9.732 5.272 1.00 0.71 C ATOM 706 OG1 THR C 53 49.536 10.857 4.410 1.00 0.95 O ATOM 707 CG2 THR C 53 50.812 9.088 5.440 1.00 0.71 C ATOM 708 H THR C 53 46.684 9.313 5.725 1.00 0.78 H ATOM 709 HA THR C 53 48.678 8.590 3.617 1.00 0.58 H ATOM 710 HB THR C 53 49.069 10.048 6.237 1.00 0.87 H ATOM 711 HG1 THR C 53 49.595 11.644 4.957 1.00 1.39 H ATOM 712 HG21 THR C 53 51.031 8.475 4.578 1.00 1.25 H ATOM 713 HG22 THR C 53 51.562 9.858 5.535 1.00 1.22 H ATOM 714 HG23 THR C 53 50.814 8.471 6.328 1.00 1.22 H ATOM 715 N GLY C 54 49.478 6.525 4.867 1.00 0.36 N ATOM 716 CA GLY C 54 49.690 5.202 5.513 1.00 0.40 C ATOM 717 C GLY C 54 50.820 4.457 4.801 1.00 0.34 C ATOM 718 O GLY C 54 50.823 4.314 3.594 1.00 0.35 O ATOM 719 H GLY C 54 49.981 6.763 4.061 1.00 0.35 H ATOM 720 HA2 GLY C 54 49.951 5.347 6.551 1.00 0.50 H ATOM 721 HA3 GLY C 54 48.784 4.620 5.446 1.00 0.50 H ATOM 722 N TYR C 55 51.776 3.975 5.543 1.00 0.34 N ATOM 723 CA TYR C 55 52.898 3.230 4.922 1.00 0.33 C ATOM 724 C TYR C 55 52.343 2.156 3.990 1.00 0.29 C ATOM 725 O TYR C 55 51.149 1.942 3.909 1.00 0.29 O ATOM 726 CB TYR C 55 53.736 2.574 6.017 1.00 0.39 C ATOM 727 CG TYR C 55 54.792 3.544 6.484 1.00 0.47 C ATOM 728 CD1 TYR C 55 54.416 4.713 7.153 1.00 1.27 C ATOM 729 CD2 TYR C 55 56.146 3.277 6.249 1.00 1.40 C ATOM 730 CE1 TYR C 55 55.391 5.616 7.587 1.00 1.39 C ATOM 731 CE2 TYR C 55 57.123 4.181 6.682 1.00 1.61 C ATOM 732 CZ TYR C 55 56.745 5.351 7.352 1.00 1.08 C ATOM 733 OH TYR C 55 57.708 6.243 7.780 1.00 1.43 O ATOM 734 H TYR C 55 51.752 4.096 6.513 1.00 0.39 H ATOM 735 HA TYR C 55 53.512 3.908 4.359 1.00 0.34 H ATOM 736 HB2 TYR C 55 53.098 2.307 6.847 1.00 0.51 H ATOM 737 HB3 TYR C 55 54.209 1.688 5.626 1.00 0.58 H ATOM 738 HD1 TYR C 55 53.371 4.919 7.333 1.00 2.13 H ATOM 739 HD2 TYR C 55 56.436 2.375 5.732 1.00 2.22 H ATOM 740 HE1 TYR C 55 55.098 6.517 8.102 1.00 2.21 H ATOM 741 HE2 TYR C 55 58.167 3.976 6.501 1.00 2.50 H ATOM 742 HH TYR C 55 57.311 6.812 8.443 1.00 1.59 H ATOM 743 N ILE C 56 53.204 1.481 3.285 1.00 0.28 N ATOM 744 CA ILE C 56 52.742 0.420 2.352 1.00 0.25 C ATOM 745 C ILE C 56 53.902 -0.542 2.084 1.00 0.23 C ATOM 746 O ILE C 56 55.040 -0.124 2.005 1.00 0.24 O ATOM 747 CB ILE C 56 52.298 1.064 1.037 1.00 0.27 C ATOM 748 CG1 ILE C 56 53.356 2.073 0.583 1.00 0.35 C ATOM 749 CG2 ILE C 56 50.966 1.788 1.244 1.00 0.34 C ATOM 750 CD1 ILE C 56 53.769 1.767 -0.857 1.00 0.88 C ATOM 751 H ILE C 56 54.161 1.675 3.368 1.00 0.31 H ATOM 752 HA ILE C 56 51.913 -0.116 2.792 1.00 0.25 H ATOM 753 HB ILE C 56 52.180 0.299 0.283 1.00 0.28 H ATOM 754 HG12 ILE C 56 52.947 3.072 0.636 1.00 0.95 H ATOM 755 HG13 ILE C 56 54.220 2.003 1.226 1.00 0.92 H ATOM 756 HG21 ILE C 56 50.311 1.173 1.843 1.00 1.08 H ATOM 757 HG22 ILE C 56 51.140 2.727 1.748 1.00 1.01 H ATOM 758 HG23 ILE C 56 50.506 1.976 0.284 1.00 0.99 H ATOM 759 HD11 ILE C 56 52.897 1.493 -1.432 1.00 1.37 H ATOM 760 HD12 ILE C 56 54.228 2.642 -1.294 1.00 1.53 H ATOM 761 HD13 ILE C 56 54.475 0.950 -0.863 1.00 1.56 H ATOM 762 N PRO C 57 53.582 -1.802 1.946 1.00 0.21 N ATOM 763 CA PRO C 57 54.588 -2.844 1.677 1.00 0.21 C ATOM 764 C PRO C 57 55.060 -2.756 0.221 1.00 0.20 C ATOM 765 O PRO C 57 54.275 -2.813 -0.704 1.00 0.21 O ATOM 766 CB PRO C 57 53.842 -4.148 1.966 1.00 0.21 C ATOM 767 CG PRO C 57 52.335 -3.826 1.850 1.00 0.22 C ATOM 768 CD PRO C 57 52.195 -2.303 2.038 1.00 0.22 C ATOM 769 HA PRO C 57 55.424 -2.742 2.351 1.00 0.22 H ATOM 770 HB2 PRO C 57 54.120 -4.900 1.244 1.00 0.22 H ATOM 771 HB3 PRO C 57 54.064 -4.490 2.964 1.00 0.23 H ATOM 772 HG2 PRO C 57 51.966 -4.119 0.877 1.00 0.22 H ATOM 773 HG3 PRO C 57 51.789 -4.339 2.625 1.00 0.24 H ATOM 774 HD2 PRO C 57 51.582 -1.881 1.252 1.00 0.24 H ATOM 775 HD3 PRO C 57 51.778 -2.077 3.009 1.00 0.24 H ATOM 776 N SER C 58 56.341 -2.588 0.023 1.00 0.22 N ATOM 777 CA SER C 58 56.891 -2.455 -1.360 1.00 0.23 C ATOM 778 C SER C 58 56.627 -3.714 -2.192 1.00 0.24 C ATOM 779 O SER C 58 56.547 -3.654 -3.403 1.00 0.27 O ATOM 780 CB SER C 58 58.399 -2.223 -1.277 1.00 0.29 C ATOM 781 OG SER C 58 59.071 -3.474 -1.345 1.00 0.67 O ATOM 782 H SER C 58 56.945 -2.524 0.792 1.00 0.25 H ATOM 783 HA SER C 58 56.433 -1.607 -1.842 1.00 0.23 H ATOM 784 HB2 SER C 58 58.716 -1.606 -2.100 1.00 0.51 H ATOM 785 HB3 SER C 58 58.635 -1.727 -0.345 1.00 0.55 H ATOM 786 HG SER C 58 59.794 -3.458 -0.713 1.00 0.88 H ATOM 787 N ASN C 59 56.511 -4.854 -1.572 1.00 0.27 N ATOM 788 CA ASN C 59 56.281 -6.096 -2.355 1.00 0.32 C ATOM 789 C ASN C 59 54.856 -6.113 -2.920 1.00 0.31 C ATOM 790 O ASN C 59 54.579 -6.791 -3.887 1.00 0.38 O ATOM 791 CB ASN C 59 56.491 -7.301 -1.442 1.00 0.37 C ATOM 792 CG ASN C 59 55.375 -7.349 -0.403 1.00 0.34 C ATOM 793 OD1 ASN C 59 54.796 -6.334 -0.079 1.00 0.35 O ATOM 794 ND2 ASN C 59 55.047 -8.491 0.134 1.00 0.39 N ATOM 795 H ASN C 59 56.591 -4.901 -0.598 1.00 0.28 H ATOM 796 HA ASN C 59 56.988 -6.140 -3.170 1.00 0.34 H ATOM 797 HB2 ASN C 59 56.478 -8.202 -2.029 1.00 0.42 H ATOM 798 HB3 ASN C 59 57.443 -7.211 -0.940 1.00 0.39 H ATOM 799 HD21 ASN C 59 55.516 -9.310 -0.130 1.00 0.47 H ATOM 800 HD22 ASN C 59 54.330 -8.531 0.802 1.00 0.39 H ATOM 801 N TYR C 60 53.952 -5.372 -2.335 1.00 0.28 N ATOM 802 CA TYR C 60 52.553 -5.360 -2.857 1.00 0.29 C ATOM 803 C TYR C 60 52.363 -4.156 -3.781 1.00 0.28 C ATOM 804 O TYR C 60 51.289 -3.935 -4.309 1.00 0.35 O ATOM 805 CB TYR C 60 51.567 -5.257 -1.691 1.00 0.28 C ATOM 806 CG TYR C 60 51.112 -6.636 -1.279 1.00 0.28 C ATOM 807 CD1 TYR C 60 52.057 -7.612 -0.945 1.00 1.10 C ATOM 808 CD2 TYR C 60 49.744 -6.939 -1.225 1.00 1.19 C ATOM 809 CE1 TYR C 60 51.638 -8.889 -0.557 1.00 1.10 C ATOM 810 CE2 TYR C 60 49.325 -8.218 -0.837 1.00 1.22 C ATOM 811 CZ TYR C 60 50.272 -9.193 -0.503 1.00 0.38 C ATOM 812 OH TYR C 60 49.860 -10.452 -0.120 1.00 0.45 O ATOM 813 H TYR C 60 54.192 -4.822 -1.560 1.00 0.29 H ATOM 814 HA TYR C 60 52.366 -6.270 -3.407 1.00 0.33 H ATOM 815 HB2 TYR C 60 52.050 -4.776 -0.858 1.00 0.31 H ATOM 816 HB3 TYR C 60 50.711 -4.673 -1.996 1.00 0.29 H ATOM 817 HD1 TYR C 60 53.111 -7.379 -0.986 1.00 1.94 H ATOM 818 HD2 TYR C 60 49.014 -6.186 -1.482 1.00 2.02 H ATOM 819 HE1 TYR C 60 52.368 -9.643 -0.301 1.00 1.93 H ATOM 820 HE2 TYR C 60 48.270 -8.454 -0.795 1.00 2.06 H ATOM 821 HH TYR C 60 49.332 -10.362 0.677 1.00 0.90 H ATOM 822 N VAL C 61 53.396 -3.377 -3.980 1.00 0.24 N ATOM 823 CA VAL C 61 53.278 -2.188 -4.870 1.00 0.25 C ATOM 824 C VAL C 61 54.385 -2.222 -5.920 1.00 0.33 C ATOM 825 O VAL C 61 55.326 -2.985 -5.827 1.00 0.50 O ATOM 826 CB VAL C 61 53.403 -0.907 -4.044 1.00 0.24 C ATOM 827 CG1 VAL C 61 54.688 -0.946 -3.218 1.00 0.49 C ATOM 828 CG2 VAL C 61 53.446 0.306 -4.969 1.00 0.47 C ATOM 829 H VAL C 61 54.251 -3.576 -3.544 1.00 0.24 H ATOM 830 HA VAL C 61 52.318 -2.203 -5.362 1.00 0.33 H ATOM 831 HB VAL C 61 52.555 -0.825 -3.392 1.00 0.46 H ATOM 832 HG11 VAL C 61 55.492 -1.340 -3.822 1.00 1.07 H ATOM 833 HG12 VAL C 61 54.940 0.055 -2.893 1.00 1.18 H ATOM 834 HG13 VAL C 61 54.543 -1.578 -2.356 1.00 1.20 H ATOM 835 HG21 VAL C 61 52.622 0.255 -5.666 1.00 1.11 H ATOM 836 HG22 VAL C 61 53.367 1.208 -4.382 1.00 1.04 H ATOM 837 HG23 VAL C 61 54.378 0.310 -5.513 1.00 1.25 H ATOM 838 N ALA C 62 54.275 -1.396 -6.918 1.00 0.33 N ATOM 839 CA ALA C 62 55.314 -1.366 -7.986 1.00 0.42 C ATOM 840 C ALA C 62 55.375 0.037 -8.598 1.00 0.45 C ATOM 841 O ALA C 62 54.388 0.744 -8.622 1.00 0.51 O ATOM 842 CB ALA C 62 54.956 -2.382 -9.073 1.00 0.59 C ATOM 843 H ALA C 62 53.505 -0.793 -6.964 1.00 0.37 H ATOM 844 HA ALA C 62 56.275 -1.616 -7.561 1.00 0.47 H ATOM 845 HB1 ALA C 62 54.562 -3.276 -8.614 1.00 1.29 H ATOM 846 HB2 ALA C 62 54.213 -1.957 -9.731 1.00 1.05 H ATOM 847 HB3 ALA C 62 55.841 -2.628 -9.640 1.00 1.20 H ATOM 848 N PRO C 63 56.539 0.396 -9.077 1.00 0.54 N ATOM 849 CA PRO C 63 56.770 1.711 -9.701 1.00 0.64 C ATOM 850 C PRO C 63 56.218 1.730 -11.129 1.00 0.73 C ATOM 851 O PRO C 63 56.679 1.010 -11.992 1.00 0.90 O ATOM 852 CB PRO C 63 58.296 1.843 -9.704 1.00 0.77 C ATOM 853 CG PRO C 63 58.858 0.404 -9.618 1.00 0.79 C ATOM 854 CD PRO C 63 57.732 -0.476 -9.042 1.00 0.64 C ATOM 855 HA PRO C 63 56.332 2.497 -9.109 1.00 0.66 H ATOM 856 HB2 PRO C 63 58.623 2.320 -10.618 1.00 0.85 H ATOM 857 HB3 PRO C 63 58.622 2.412 -8.848 1.00 0.84 H ATOM 858 HG2 PRO C 63 59.136 0.057 -10.604 1.00 0.86 H ATOM 859 HG3 PRO C 63 59.713 0.378 -8.961 1.00 0.90 H ATOM 860 HD2 PRO C 63 57.583 -1.351 -9.660 1.00 0.69 H ATOM 861 HD3 PRO C 63 57.955 -0.760 -8.026 1.00 0.66 H ATOM 862 N SER C 64 55.234 2.549 -11.384 1.00 0.89 N ATOM 863 CA SER C 64 54.656 2.612 -12.756 1.00 1.05 C ATOM 864 C SER C 64 55.018 3.952 -13.401 1.00 1.74 C ATOM 865 O SER C 64 54.875 4.965 -12.736 1.00 2.40 O ATOM 866 CB SER C 64 53.135 2.481 -12.673 1.00 1.89 C ATOM 867 OG SER C 64 52.566 2.815 -13.932 1.00 2.50 O ATOM 868 OXT SER C 64 55.431 3.942 -14.548 1.00 2.39 O ATOM 869 H SER C 64 54.877 3.121 -10.674 1.00 1.05 H ATOM 870 HA SER C 64 55.055 1.806 -13.353 1.00 1.43 H ATOM 871 HB2 SER C 64 52.872 1.466 -12.424 1.00 2.36 H ATOM 872 HB3 SER C 64 52.758 3.147 -11.908 1.00 2.46 H ATOM 873 HG SER C 64 52.649 2.051 -14.508 1.00 3.01 H TER 874 SER C 64 HETATM 875 C ACE N 72 57.985 3.924 11.537 1.00 0.93 C HETATM 876 O ACE N 72 58.632 4.326 12.483 1.00 1.03 O HETATM 877 CH3 ACE N 72 57.792 4.807 10.297 1.00 0.99 C HETATM 878 H1 ACE N 72 58.490 5.630 10.330 1.00 1.39 H HETATM 879 H2 ACE N 72 56.782 5.191 10.282 1.00 1.52 H HETATM 880 H3 ACE N 72 57.968 4.221 9.407 1.00 1.38 H HETATM 881 C1 MN8 N 73 59.697 -2.522 12.676 1.00 0.73 C HETATM 882 O1 MN8 N 73 60.463 -2.826 13.568 1.00 0.81 O HETATM 883 C2 MN8 N 73 59.581 -1.181 12.275 1.00 0.73 C HETATM 884 C3 MN8 N 73 60.416 -0.519 11.435 1.00 0.82 C HETATM 885 C4 MN8 N 73 61.643 -1.011 10.726 1.00 0.95 C HETATM 886 C5 MN8 N 73 61.348 -1.152 9.232 1.00 1.02 C HETATM 887 C6 MN8 N 73 62.783 -0.011 10.929 1.00 1.19 C HETATM 888 S7 MN8 N 73 59.864 1.112 11.251 1.00 0.85 S HETATM 889 C8 MN8 N 73 58.549 0.749 12.331 1.00 0.76 C HETATM 890 N9 MN8 N 73 58.521 -0.485 12.793 1.00 0.73 N HETATM 891 C10 MN8 N 73 57.564 1.831 12.663 1.00 0.82 C HETATM 892 N11 MN8 N 73 57.416 2.741 11.496 1.00 0.83 N HETATM 893 C12 MN8 N 73 56.634 2.322 10.285 1.00 0.83 C HETATM 894 C13 MN8 N 73 55.911 1.003 10.500 1.00 0.81 C HETATM 895 C14 MN8 N 73 55.702 0.484 11.789 1.00 0.84 C HETATM 896 C15 MN8 N 73 56.211 1.219 12.995 1.00 0.87 C HETATM 897 C16 MN8 N 73 55.020 -0.728 11.954 1.00 0.87 C HETATM 898 C17 MN8 N 73 54.546 -1.424 10.839 1.00 0.89 C HETATM 899 C18 MN8 N 73 54.753 -0.911 9.555 1.00 0.86 C HETATM 900 C19 MN8 N 73 55.433 0.300 9.386 1.00 0.82 C HETATM 901 H4 MN8 N 73 61.930 -1.972 11.129 1.00 1.00 H HETATM 902 H51 MN8 N 73 62.277 -1.229 8.687 1.00 1.48 H HETATM 903 H52 MN8 N 73 60.800 -0.287 8.889 1.00 1.42 H HETATM 904 H53 MN8 N 73 60.758 -2.041 9.064 1.00 1.49 H HETATM 905 H61 MN8 N 73 63.730 -0.526 10.857 1.00 1.65 H HETATM 906 H62 MN8 N 73 62.694 0.443 11.905 1.00 1.59 H HETATM 907 H63 MN8 N 73 62.730 0.754 10.169 1.00 1.53 H HETATM 908 H10 MN8 N 73 57.921 2.393 13.514 1.00 0.87 H HETATM 909 H121 MN8 N 73 55.906 3.087 10.053 1.00 0.91 H HETATM 910 H122 MN8 N 73 57.310 2.219 9.451 1.00 0.84 H HETATM 911 H151 MN8 N 73 55.515 2.001 13.262 1.00 0.94 H HETATM 912 H152 MN8 N 73 56.318 0.531 13.821 1.00 0.90 H HETATM 913 H16 MN8 N 73 54.858 -1.125 12.945 1.00 0.92 H HETATM 914 H17 MN8 N 73 54.021 -2.357 10.969 1.00 0.95 H HETATM 915 H18 MN8 N 73 54.387 -1.449 8.693 1.00 0.91 H HETATM 916 H19 MN8 N 73 55.591 0.695 8.393 1.00 0.83 H HETATM 917 N1 MN1 N 74 58.949 -3.399 12.036 1.00 0.66 N HETATM 918 C2 MN1 N 74 58.010 -2.997 10.940 1.00 0.58 C HETATM 919 C3 MN1 N 74 58.297 -3.868 9.715 1.00 0.49 C HETATM 920 C4 MN1 N 74 58.190 -5.342 10.117 1.00 0.53 C HETATM 921 C MN1 N 74 58.373 -6.224 8.876 1.00 0.49 C HETATM 922 O1 MN1 N 74 58.910 -5.783 7.879 1.00 0.45 O HETATM 923 C5 MN1 N 74 59.293 -5.648 11.134 1.00 0.64 C HETATM 924 C6 MN1 N 74 59.029 -4.838 12.405 1.00 0.71 C HETATM 925 H21 MN1 N 74 56.996 -3.171 11.272 1.00 0.61 H HETATM 926 H22 MN1 N 74 58.143 -1.957 10.691 1.00 0.60 H HETATM 927 H31 MN1 N 74 57.588 -3.645 8.932 1.00 0.45 H HETATM 928 H32 MN1 N 74 59.303 -3.679 9.369 1.00 0.50 H HETATM 929 H4 MN1 N 74 57.223 -5.529 10.562 1.00 0.57 H HETATM 930 H51 MN1 N 74 59.299 -6.702 11.361 1.00 0.70 H HETATM 931 H52 MN1 N 74 60.246 -5.354 10.715 1.00 0.63 H HETATM 932 H61 MN1 N 74 58.086 -5.142 12.835 1.00 0.75 H HETATM 933 H62 MN1 N 74 59.828 -4.991 13.114 1.00 0.79 H ATOM 934 N PRO N 75 57.917 -7.448 8.976 1.00 0.56 N ATOM 935 CA PRO N 75 58.014 -8.423 7.877 1.00 0.58 C ATOM 936 C PRO N 75 56.931 -8.155 6.828 1.00 0.50 C ATOM 937 O PRO N 75 55.806 -7.832 7.153 1.00 0.61 O ATOM 938 CB PRO N 75 57.780 -9.768 8.569 1.00 0.72 C ATOM 939 CG PRO N 75 57.010 -9.458 9.875 1.00 0.76 C ATOM 940 CD PRO N 75 57.261 -7.972 10.192 1.00 0.67 C ATOM 941 HA PRO N 75 58.995 -8.402 7.431 1.00 0.60 H ATOM 942 HB2 PRO N 75 57.192 -10.415 7.931 1.00 0.75 H ATOM 943 HB3 PRO N 75 58.723 -10.235 8.805 1.00 0.80 H ATOM 944 HG2 PRO N 75 55.953 -9.636 9.731 1.00 0.78 H ATOM 945 HG3 PRO N 75 57.384 -10.071 10.680 1.00 0.87 H ATOM 946 HD2 PRO N 75 56.324 -7.461 10.371 1.00 0.66 H ATOM 947 HD3 PRO N 75 57.915 -7.872 11.042 1.00 0.72 H ATOM 948 N LEU N 76 57.261 -8.286 5.573 1.00 0.46 N ATOM 949 CA LEU N 76 56.249 -8.039 4.508 1.00 0.39 C ATOM 950 C LEU N 76 55.245 -9.196 4.479 1.00 0.42 C ATOM 951 O LEU N 76 55.526 -10.269 4.975 1.00 0.50 O ATOM 952 CB LEU N 76 56.949 -7.939 3.151 1.00 0.41 C ATOM 953 CG LEU N 76 57.748 -6.637 3.083 1.00 0.41 C ATOM 954 CD1 LEU N 76 59.058 -6.881 2.333 1.00 0.61 C ATOM 955 CD2 LEU N 76 56.929 -5.575 2.346 1.00 0.43 C ATOM 956 H LEU N 76 58.174 -8.548 5.330 1.00 0.58 H ATOM 957 HA LEU N 76 55.728 -7.116 4.713 1.00 0.36 H ATOM 958 HB2 LEU N 76 57.618 -8.779 3.028 1.00 0.48 H ATOM 959 HB3 LEU N 76 56.212 -7.948 2.363 1.00 0.41 H ATOM 960 HG LEU N 76 57.966 -6.296 4.085 1.00 0.43 H ATOM 961 HD11 LEU N 76 59.092 -7.904 1.989 1.00 1.09 H ATOM 962 HD12 LEU N 76 59.117 -6.214 1.485 1.00 1.26 H ATOM 963 HD13 LEU N 76 59.892 -6.696 2.994 1.00 1.23 H ATOM 964 HD21 LEU N 76 55.943 -5.513 2.783 1.00 1.12 H ATOM 965 HD22 LEU N 76 57.421 -4.617 2.431 1.00 1.11 H ATOM 966 HD23 LEU N 76 56.845 -5.845 1.304 1.00 1.10 H ATOM 967 N PRO N 77 54.102 -8.938 3.897 1.00 0.39 N ATOM 968 CA PRO N 77 53.027 -9.939 3.782 1.00 0.46 C ATOM 969 C PRO N 77 53.344 -10.938 2.663 1.00 0.48 C ATOM 970 O PRO N 77 54.234 -10.713 1.867 1.00 0.50 O ATOM 971 CB PRO N 77 51.792 -9.102 3.439 1.00 0.48 C ATOM 972 CG PRO N 77 52.317 -7.781 2.828 1.00 0.42 C ATOM 973 CD PRO N 77 53.776 -7.627 3.298 1.00 0.35 C ATOM 974 HA PRO N 77 52.879 -10.449 4.720 1.00 0.53 H ATOM 975 HB2 PRO N 77 51.177 -9.628 2.721 1.00 0.53 H ATOM 976 HB3 PRO N 77 51.226 -8.890 4.332 1.00 0.54 H ATOM 977 HG2 PRO N 77 52.277 -7.831 1.748 1.00 0.42 H ATOM 978 HG3 PRO N 77 51.731 -6.948 3.183 1.00 0.46 H ATOM 979 HD2 PRO N 77 54.423 -7.419 2.458 1.00 0.34 H ATOM 980 HD3 PRO N 77 53.855 -6.849 4.041 1.00 0.35 H ATOM 981 N PRO N 78 52.602 -12.015 2.642 1.00 0.53 N ATOM 982 CA PRO N 78 52.775 -13.078 1.637 1.00 0.59 C ATOM 983 C PRO N 78 52.140 -12.670 0.303 1.00 0.56 C ATOM 984 O PRO N 78 50.951 -12.816 0.101 1.00 0.57 O ATOM 985 CB PRO N 78 52.036 -14.272 2.250 1.00 0.68 C ATOM 986 CG PRO N 78 51.023 -13.686 3.263 1.00 0.69 C ATOM 987 CD PRO N 78 51.524 -12.274 3.618 1.00 0.60 C ATOM 988 HA PRO N 78 53.817 -13.317 1.507 1.00 0.64 H ATOM 989 HB2 PRO N 78 51.517 -14.824 1.477 1.00 0.70 H ATOM 990 HB3 PRO N 78 52.732 -14.916 2.764 1.00 0.76 H ATOM 991 HG2 PRO N 78 50.041 -13.632 2.813 1.00 0.71 H ATOM 992 HG3 PRO N 78 50.992 -14.296 4.152 1.00 0.79 H ATOM 993 HD2 PRO N 78 50.727 -11.552 3.507 1.00 0.60 H ATOM 994 HD3 PRO N 78 51.919 -12.254 4.622 1.00 0.65 H ATOM 995 N LEU N 79 52.927 -12.165 -0.611 1.00 0.61 N ATOM 996 CA LEU N 79 52.373 -11.756 -1.933 1.00 0.64 C ATOM 997 C LEU N 79 51.391 -12.826 -2.426 1.00 0.65 C ATOM 998 O LEU N 79 51.523 -13.986 -2.092 1.00 0.69 O ATOM 999 CB LEU N 79 53.520 -11.590 -2.931 1.00 0.75 C ATOM 1000 CG LEU N 79 53.956 -10.120 -2.955 1.00 0.70 C ATOM 1001 CD1 LEU N 79 55.153 -9.952 -3.884 1.00 0.68 C ATOM 1002 CD2 LEU N 79 52.816 -9.260 -3.482 1.00 0.84 C ATOM 1003 H LEU N 79 53.884 -12.061 -0.428 1.00 0.68 H ATOM 1004 HA LEU N 79 51.851 -10.816 -1.835 1.00 0.63 H ATOM 1005 HB2 LEU N 79 54.353 -12.210 -2.630 1.00 0.86 H ATOM 1006 HB3 LEU N 79 53.189 -11.882 -3.916 1.00 0.86 H ATOM 1007 HG LEU N 79 54.221 -9.801 -1.960 1.00 1.04 H ATOM 1008 HD11 LEU N 79 55.427 -10.910 -4.297 1.00 1.28 H ATOM 1009 HD12 LEU N 79 54.883 -9.276 -4.686 1.00 1.19 H ATOM 1010 HD13 LEU N 79 55.984 -9.543 -3.330 1.00 1.22 H ATOM 1011 HD21 LEU N 79 52.542 -9.616 -4.456 1.00 1.27 H ATOM 1012 HD22 LEU N 79 51.968 -9.326 -2.822 1.00 1.40 H ATOM 1013 HD23 LEU N 79 53.138 -8.234 -3.552 1.00 1.36 H ATOM 1014 N PRO N 80 50.425 -12.393 -3.195 1.00 0.67 N ATOM 1015 CA PRO N 80 49.383 -13.279 -3.744 1.00 0.72 C ATOM 1016 C PRO N 80 49.934 -14.091 -4.920 1.00 0.81 C ATOM 1017 O PRO N 80 49.729 -15.286 -5.003 1.00 1.29 O ATOM 1018 CB PRO N 80 48.297 -12.302 -4.211 1.00 0.75 C ATOM 1019 CG PRO N 80 49.000 -10.948 -4.432 1.00 0.77 C ATOM 1020 CD PRO N 80 50.287 -10.981 -3.595 1.00 0.72 C ATOM 1021 HA PRO N 80 48.991 -13.928 -2.979 1.00 0.72 H ATOM 1022 HB2 PRO N 80 47.856 -12.647 -5.138 1.00 0.82 H ATOM 1023 HB3 PRO N 80 47.540 -12.193 -3.450 1.00 0.75 H ATOM 1024 HG2 PRO N 80 49.243 -10.829 -5.478 1.00 0.84 H ATOM 1025 HG3 PRO N 80 48.367 -10.140 -4.100 1.00 0.80 H ATOM 1026 HD2 PRO N 80 51.127 -10.678 -4.197 1.00 0.78 H ATOM 1027 HD3 PRO N 80 50.193 -10.352 -2.723 1.00 0.72 H HETATM 1028 N NH2 N 81 50.632 -13.487 -5.842 1.00 1.43 N HETATM 1029 HN1 NH2 N 81 50.798 -12.523 -5.778 1.00 2.11 H HETATM 1030 HN2 NH2 N 81 50.990 -13.997 -6.599 1.00 1.51 H TER 1031 NH2 N 81 CONECT 875 876 877 892 CONECT 876 875 CONECT 877 875 878 879 880 CONECT 878 877 CONECT 879 877 CONECT 880 877 CONECT 881 882 883 917 CONECT 882 881 CONECT 883 881 884 890 CONECT 884 883 885 888 CONECT 885 884 886 887 901 CONECT 886 885 902 903 904 CONECT 887 885 905 906 907 CONECT 888 884 889 CONECT 889 888 890 891 CONECT 890 883 889 CONECT 891 889 892 896 908 CONECT 892 875 891 893 CONECT 893 892 894 909 910 CONECT 894 893 895 900 CONECT 895 894 896 897 CONECT 896 891 895 911 912 CONECT 897 895 898 913 CONECT 898 897 899 914 CONECT 899 898 900 915 CONECT 900 894 899 916 CONECT 901 885 CONECT 902 886 CONECT 903 886 CONECT 904 886 CONECT 905 887 CONECT 906 887 CONECT 907 887 CONECT 908 891 CONECT 909 893 CONECT 910 893 CONECT 911 896 CONECT 912 896 CONECT 913 897 CONECT 914 898 CONECT 915 899 CONECT 916 900 CONECT 917 881 918 924 CONECT 918 917 919 925 926 CONECT 919 918 920 927 928 CONECT 920 919 921 923 929 CONECT 921 920 922 934 CONECT 922 921 CONECT 923 920 924 930 931 CONECT 924 917 923 932 933 CONECT 925 918 CONECT 926 918 CONECT 927 919 CONECT 928 919 CONECT 929 920 CONECT 930 923 CONECT 931 923 CONECT 932 924 CONECT 933 924 CONECT 934 921 CONECT 1016 1028 CONECT 1028 1016 1029 1030 CONECT 1029 1028 CONECT 1030 1028 MASTER 114 0 4 1 3 0 0 6 1029 2 64 6 END