USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 943 hydrogens (0 hets) HEADER SIGNALING PROTEIN 10-NOV-05 2EYV TITLE SH2 DOMAIN OF CT10-REGULATED KINASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: V-CRK SARCOMA VIRUS CT10 ONCOGENE HOMOLOG COMPND 3 ISOFORM A; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: SH2 DOMAIN; COMPND 6 SYNONYM: CT10-REGULATED KINASE; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PPRO EX-HTB KEYWDS SH2, SIGNALING PROTEIN EXPDTA SOLUTION NMR AUTHOR Y.KOBASHIGAWA,S.TANAKA,F.INAGAKI REVDAT 3 08-JUL-08 2EYV 1 JRNL VERSN REVDAT 2 05-JUN-07 2EYV 1 JRNL REVDAT 1 10-NOV-06 2EYV 0 JRNL AUTH Y.KOBASHIGAWA,M.SAKAI,M.NAITO,M.YOKOCHI,H.KUMETA, JRNL AUTH 2 Y.MAKINO,K.OGURA,S.TANAKA,F.INAGAKI JRNL TITL STRUCTURAL BASIS FOR THE TRANSFORMING ACTIVITY OF JRNL TITL 2 HUMAN CANCER-RELATED SIGNALING ADAPTOR PROTEIN CRK. JRNL REF NAT.STRUCT.MOL.BIOL. V. 14 503 2007 JRNL REFN ISSN 1545-9993 JRNL PMID 17515907 JRNL DOI 10.1038/NSMB1241 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA 2.0 REMARK 3 AUTHORS : GUETNTERT P. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2EYV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 16-NOV-05. REMARK 100 THE RCSB ID CODE IS RCSB035262. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : 250MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.0MM SH2 U-15N, 13C REMARK 210 PHOSPHATE BUFFER NA; 200MM REMARK 210 NACL;90%H2O, 10%D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 13C-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XEASY, OLIVIA, NMRPIPE, CYANA REMARK 210 2.0 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 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 MET A 4 163.16 -43.26 REMARK 500 TRP A 15 -71.32 -118.96 REMARK 500 SER A 19 -175.48 -53.27 REMARK 500 LEU A 27 36.48 -90.23 REMARK 500 HIS A 32 -33.66 -33.04 REMARK 500 SER A 41 -65.68 -130.17 REMARK 500 ASN A 54 42.14 36.19 REMARK 500 GLN A 77 139.84 -177.78 REMARK 500 PRO A 80 -164.55 -69.75 REMARK 500 ASP A 110 -72.96 -134.98 REMARK 500 GLU A 116 152.95 -35.20 REMARK 500 SER A 119 141.52 -38.74 REMARK 500 ARG A 122 37.81 -95.51 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2EYW RELATED DB: PDB REMARK 900 RELATED ID: 2EYX RELATED DB: PDB REMARK 900 RELATED ID: 2EYY RELATED DB: PDB REMARK 900 RELATED ID: 2EYZ RELATED DB: PDB DBREF 2EYV A 6 124 GB 41327712 NP_058431 6 124 SEQADV 2EYV GLY A 2 GB 41327712 EXPRESSION TAG SEQADV 2EYV ALA A 3 GB 41327712 EXPRESSION TAG SEQADV 2EYV MET A 4 GB 41327712 EXPRESSION TAG SEQADV 2EYV GLY A 5 GB 41327712 EXPRESSION TAG SEQADV 2EYV ARG A 125 GB 41327712 EXPRESSION TAG SEQRES 1 A 124 GLY ALA MET GLY ASP SER GLU GLU ARG SER SER TRP TYR SEQRES 2 A 124 TRP GLY ARG LEU SER ARG GLN GLU ALA VAL ALA LEU LEU SEQRES 3 A 124 GLN GLY GLN ARG HIS GLY VAL PHE LEU VAL ARG ASP SER SEQRES 4 A 124 SER THR SER PRO GLY ASP TYR VAL LEU SER VAL SER GLU SEQRES 5 A 124 ASN SER ARG VAL SER HIS TYR ILE ILE ASN SER SER GLY SEQRES 6 A 124 PRO ARG PRO PRO VAL PRO PRO SER PRO ALA GLN PRO PRO SEQRES 7 A 124 PRO GLY VAL SER PRO SER ARG LEU ARG ILE GLY ASP GLN SEQRES 8 A 124 GLU PHE ASP SER LEU PRO ALA LEU LEU GLU PHE TYR LYS SEQRES 9 A 124 ILE HIS TYR LEU ASP THR THR THR LEU ILE GLU PRO VAL SEQRES 10 A 124 SER ARG SER ARG GLN GLY ARG HELIX 1 1 SER A 19 LEU A 27 1 9 HELIX 2 2 SER A 96 TYR A 104 1 9 SHEET 1 A 5 PHE A 35 ARG A 38 0 SHEET 2 A 5 TYR A 47 GLU A 53 -1 O SER A 50 N LEU A 36 SHEET 3 A 5 ARG A 56 ASN A 63 -1 O ILE A 62 N TYR A 47 SHEET 4 A 5 LEU A 87 ILE A 89 -1 O ARG A 88 N ASN A 63 SHEET 5 A 5 GLN A 92 PHE A 94 -1 O PHE A 94 N LEU A 87 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 119 SER OG : rot -98:sc= 0.375 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 74 SER OG : rot -128:sc=-0.000577 USER MOD Set 2.2: A 77 GLN : amide:sc= 1.04 K(o=1,f=-2.8) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 120:sc= -1.22 USER MOD Single : A 11 SER OG : rot -25:sc= 0.484 USER MOD Single : A 12 SER OG : rot -56:sc= 0.932 USER MOD Single : A 14 TYR OH : rot -140:sc= -0.0627 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -4.17! C(o=-4.2!,f=-4.8!) USER MOD Single : A 30 GLN : amide:sc= -8.43! C(o=-8.4!,f=-3.4!) USER MOD Single : A 32 HIS : no HD1:sc= -0.9 K(o=-0.9,f=-0.23) USER MOD Single : A 40 SER OG : rot -169:sc= -5.65! USER MOD Single : A 41 SER OG : rot -170:sc= -0.213 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 140:sc=-0.000985 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0721 USER MOD Single : A 52 SER OG : rot -101:sc= 1.45 USER MOD Single : A 54 ASN : amide:sc= -4.55 K(o=-4.5,f=-7.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=-0.39) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.019) USER MOD Single : A 64 SER OG : rot 56:sc= 0.659 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.09 K(o=1.1,f=-0.2) USER MOD Single : A 96 SER OG : rot -24:sc= 0.335! USER MOD Single : A 104 TYR OH : rot 130:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-7e-05) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -57:sc= 0.723 USER MOD Single : A 112 THR OG1 : rot -150:sc= -0.108 USER MOD Single : A 113 THR OG1 : rot -52:sc= 1.36 USER MOD Single : A 123 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 2 2.072 0.001 -1.247 1.00 55.03 C ATOM 3 C GLY A 2 1.689 1.159 -2.148 1.00 65.31 C ATOM 4 O GLY A 2 0.672 1.815 -1.929 1.00 32.12 O ATOM 0 HA2 GLY A 2 3.139 0.050 -1.031 1.00 55.03 H new ATOM 0 HA3 GLY A 2 1.896 -0.938 -1.772 1.00 55.03 H new ATOM 8 N ALA A 3 2.508 1.411 -3.164 1.00 4.31 N ATOM 9 CA ALA A 3 2.251 2.497 -4.101 1.00 53.51 C ATOM 10 C ALA A 3 3.020 2.294 -5.402 1.00 54.11 C ATOM 11 O ALA A 3 3.943 1.483 -5.468 1.00 75.31 O ATOM 12 CB ALA A 3 2.616 3.834 -3.473 1.00 42.31 C ATOM 0 H ALA A 3 3.355 0.877 -3.359 1.00 4.31 H new ATOM 0 HA ALA A 3 1.186 2.497 -4.335 1.00 53.51 H new ATOM 0 HB1 ALA A 3 2.419 4.636 -4.184 1.00 42.31 H new ATOM 0 HB2 ALA A 3 2.018 3.990 -2.575 1.00 42.31 H new ATOM 0 HB3 ALA A 3 3.673 3.835 -3.209 1.00 42.31 H new ATOM 18 N MET A 4 2.633 3.036 -6.435 1.00 34.41 N ATOM 19 CA MET A 4 3.287 2.936 -7.734 1.00 51.14 C ATOM 20 C MET A 4 4.803 2.872 -7.576 1.00 73.13 C ATOM 21 O MET A 4 5.341 3.209 -6.523 1.00 24.52 O ATOM 22 CB MET A 4 2.904 4.128 -8.615 1.00 23.55 C ATOM 23 CG MET A 4 3.365 5.466 -8.060 1.00 31.34 C ATOM 24 SD MET A 4 2.883 6.854 -9.104 1.00 75.13 S ATOM 25 CE MET A 4 4.336 7.893 -8.979 1.00 11.12 C ATOM 0 H MET A 4 1.870 3.712 -6.397 1.00 34.41 H new ATOM 0 HA MET A 4 2.950 2.016 -8.213 1.00 51.14 H new ATOM 0 HB2 MET A 4 3.332 3.988 -9.607 1.00 23.55 H new ATOM 0 HB3 MET A 4 1.821 4.147 -8.735 1.00 23.55 H new ATOM 0 HG2 MET A 4 2.948 5.604 -7.063 1.00 31.34 H new ATOM 0 HG3 MET A 4 4.450 5.456 -7.953 1.00 31.34 H new ATOM 0 HE1 MET A 4 4.191 8.795 -9.574 1.00 11.12 H new ATOM 0 HE2 MET A 4 4.498 8.168 -7.937 1.00 11.12 H new ATOM 0 HE3 MET A 4 5.205 7.350 -9.351 1.00 11.12 H new ATOM 35 N GLY A 5 5.486 2.437 -8.631 1.00 74.30 N ATOM 36 CA GLY A 5 6.933 2.336 -8.588 1.00 13.02 C ATOM 37 C GLY A 5 7.468 1.271 -9.525 1.00 1.54 C ATOM 38 O GLY A 5 8.009 0.259 -9.080 1.00 44.01 O ATOM 0 H GLY A 5 5.063 2.153 -9.514 1.00 74.30 H new ATOM 0 HA2 GLY A 5 7.369 3.300 -8.851 1.00 13.02 H new ATOM 0 HA3 GLY A 5 7.248 2.111 -7.569 1.00 13.02 H new ATOM 42 N ASP A 6 7.316 1.499 -10.825 1.00 32.15 N ATOM 43 CA ASP A 6 7.788 0.551 -11.827 1.00 74.21 C ATOM 44 C ASP A 6 8.941 1.141 -12.633 1.00 74.00 C ATOM 45 O ASP A 6 9.284 2.313 -12.478 1.00 33.13 O ATOM 46 CB ASP A 6 6.645 0.155 -12.763 1.00 72.22 C ATOM 47 CG ASP A 6 5.541 -0.596 -12.044 1.00 63.23 C ATOM 48 OD1 ASP A 6 5.863 -1.463 -11.205 1.00 3.41 O ATOM 49 OD2 ASP A 6 4.356 -0.318 -12.322 1.00 34.12 O ATOM 0 H ASP A 6 6.870 2.332 -11.209 1.00 32.15 H new ATOM 0 HA ASP A 6 8.148 -0.338 -11.309 1.00 74.21 H new ATOM 0 HB2 ASP A 6 6.230 1.051 -13.224 1.00 72.22 H new ATOM 0 HB3 ASP A 6 7.037 -0.466 -13.569 1.00 72.22 H new ATOM 54 N SER A 7 9.535 0.321 -13.493 1.00 63.24 N ATOM 55 CA SER A 7 10.653 0.760 -14.320 1.00 42.04 C ATOM 56 C SER A 7 10.183 1.104 -15.731 1.00 24.04 C ATOM 57 O SER A 7 10.740 1.986 -16.383 1.00 40.22 O ATOM 58 CB SER A 7 11.729 -0.326 -14.380 1.00 31.23 C ATOM 59 OG SER A 7 13.018 0.241 -14.534 1.00 63.13 O ATOM 0 H SER A 7 9.261 -0.651 -13.636 1.00 63.24 H new ATOM 0 HA SER A 7 11.077 1.657 -13.868 1.00 42.04 H new ATOM 0 HB2 SER A 7 11.698 -0.924 -13.469 1.00 31.23 H new ATOM 0 HB3 SER A 7 11.523 -1.000 -15.211 1.00 31.23 H new ATOM 0 HG SER A 7 13.581 -0.014 -13.773 1.00 63.13 H new ATOM 65 N GLU A 8 9.155 0.400 -16.193 1.00 50.02 N ATOM 66 CA GLU A 8 8.611 0.630 -17.526 1.00 54.13 C ATOM 67 C GLU A 8 7.725 1.873 -17.545 1.00 63.24 C ATOM 68 O GLU A 8 7.610 2.549 -18.567 1.00 72.20 O ATOM 69 CB GLU A 8 7.809 -0.588 -17.991 1.00 42.33 C ATOM 70 CG GLU A 8 6.659 -0.948 -17.067 1.00 33.44 C ATOM 71 CD GLU A 8 6.238 -2.399 -17.197 1.00 61.45 C ATOM 72 OE1 GLU A 8 7.023 -3.284 -16.795 1.00 54.35 O ATOM 73 OE2 GLU A 8 5.123 -2.650 -17.702 1.00 24.00 O ATOM 0 H GLU A 8 8.683 -0.334 -15.665 1.00 50.02 H new ATOM 0 HA GLU A 8 9.446 0.789 -18.209 1.00 54.13 H new ATOM 0 HB2 GLU A 8 7.415 -0.394 -18.989 1.00 42.33 H new ATOM 0 HB3 GLU A 8 8.479 -1.444 -18.074 1.00 42.33 H new ATOM 0 HG2 GLU A 8 6.951 -0.749 -16.036 1.00 33.44 H new ATOM 0 HG3 GLU A 8 5.807 -0.305 -17.287 1.00 33.44 H new ATOM 80 N GLU A 9 7.102 2.166 -16.408 1.00 42.02 N ATOM 81 CA GLU A 9 6.226 3.326 -16.295 1.00 42.21 C ATOM 82 C GLU A 9 7.038 4.616 -16.220 1.00 64.05 C ATOM 83 O GLU A 9 7.647 4.920 -15.194 1.00 51.34 O ATOM 84 CB GLU A 9 5.334 3.200 -15.059 1.00 14.53 C ATOM 85 CG GLU A 9 4.059 4.023 -15.142 1.00 52.11 C ATOM 86 CD GLU A 9 3.088 3.490 -16.178 1.00 14.44 C ATOM 87 OE1 GLU A 9 3.353 3.667 -17.385 1.00 63.42 O ATOM 88 OE2 GLU A 9 2.062 2.898 -15.781 1.00 44.11 O ATOM 0 H GLU A 9 7.188 1.617 -15.553 1.00 42.02 H new ATOM 0 HA GLU A 9 5.598 3.363 -17.185 1.00 42.21 H new ATOM 0 HB2 GLU A 9 5.071 2.152 -14.916 1.00 14.53 H new ATOM 0 HB3 GLU A 9 5.900 3.509 -14.180 1.00 14.53 H new ATOM 0 HG2 GLU A 9 3.574 4.034 -14.166 1.00 52.11 H new ATOM 0 HG3 GLU A 9 4.312 5.055 -15.384 1.00 52.11 H new ATOM 95 N ARG A 10 7.043 5.369 -17.315 1.00 41.42 N ATOM 96 CA ARG A 10 7.781 6.625 -17.375 1.00 45.13 C ATOM 97 C ARG A 10 7.195 7.648 -16.406 1.00 72.44 C ATOM 98 O ARG A 10 7.917 8.472 -15.846 1.00 31.13 O ATOM 99 CB ARG A 10 7.762 7.185 -18.799 1.00 14.54 C ATOM 100 CG ARG A 10 6.369 7.538 -19.295 1.00 70.00 C ATOM 101 CD ARG A 10 5.799 6.441 -20.181 1.00 44.43 C ATOM 102 NE ARG A 10 4.345 6.355 -20.079 1.00 41.21 N ATOM 103 CZ ARG A 10 3.571 5.837 -21.026 1.00 62.22 C ATOM 104 NH1 ARG A 10 4.110 5.361 -22.140 1.00 70.51 N ATOM 105 NH2 ARG A 10 2.256 5.794 -20.860 1.00 35.42 N ATOM 0 H ARG A 10 6.544 5.131 -18.172 1.00 41.42 H new ATOM 0 HA ARG A 10 8.812 6.425 -17.084 1.00 45.13 H new ATOM 0 HB2 ARG A 10 8.389 8.075 -18.839 1.00 14.54 H new ATOM 0 HB3 ARG A 10 8.205 6.453 -19.474 1.00 14.54 H new ATOM 0 HG2 ARG A 10 5.708 7.699 -18.443 1.00 70.00 H new ATOM 0 HG3 ARG A 10 6.406 8.474 -19.852 1.00 70.00 H new ATOM 0 HD2 ARG A 10 6.079 6.630 -21.217 1.00 44.43 H new ATOM 0 HD3 ARG A 10 6.239 5.484 -19.901 1.00 44.43 H new ATOM 0 HE ARG A 10 3.899 6.712 -19.234 1.00 41.21 H new ATOM 0 HH11 ARG A 10 5.121 5.392 -22.271 1.00 70.51 H new ATOM 0 HH12 ARG A 10 3.514 4.964 -22.866 1.00 70.51 H new ATOM 0 HH21 ARG A 10 1.838 6.159 -20.004 1.00 35.42 H new ATOM 0 HH22 ARG A 10 1.663 5.396 -21.588 1.00 35.42 H new ATOM 119 N SER A 11 5.881 7.588 -16.215 1.00 72.01 N ATOM 120 CA SER A 11 5.196 8.511 -15.318 1.00 3.23 C ATOM 121 C SER A 11 5.606 8.265 -13.869 1.00 30.31 C ATOM 122 O SER A 11 5.217 9.007 -12.967 1.00 41.13 O ATOM 123 CB SER A 11 3.680 8.367 -15.463 1.00 21.45 C ATOM 124 OG SER A 11 2.998 9.295 -14.638 1.00 1.43 O ATOM 0 H SER A 11 5.270 6.910 -16.670 1.00 72.01 H new ATOM 0 HA SER A 11 5.484 9.526 -15.592 1.00 3.23 H new ATOM 0 HB2 SER A 11 3.395 8.523 -16.503 1.00 21.45 H new ATOM 0 HB3 SER A 11 3.381 7.353 -15.199 1.00 21.45 H new ATOM 0 HG SER A 11 3.572 9.547 -13.885 1.00 1.43 H new ATOM 130 N SER A 12 6.394 7.216 -13.654 1.00 10.14 N ATOM 131 CA SER A 12 6.854 6.868 -12.314 1.00 62.04 C ATOM 132 C SER A 12 8.243 7.442 -12.051 1.00 10.10 C ATOM 133 O SER A 12 8.517 7.959 -10.968 1.00 44.21 O ATOM 134 CB SER A 12 6.876 5.348 -12.139 1.00 4.41 C ATOM 135 OG SER A 12 8.070 4.792 -12.662 1.00 22.13 O ATOM 0 H SER A 12 6.727 6.593 -14.390 1.00 10.14 H new ATOM 0 HA SER A 12 6.159 7.300 -11.594 1.00 62.04 H new ATOM 0 HB2 SER A 12 6.788 5.099 -11.081 1.00 4.41 H new ATOM 0 HB3 SER A 12 6.015 4.908 -12.643 1.00 4.41 H new ATOM 0 HG SER A 12 8.168 5.053 -13.601 1.00 22.13 H new ATOM 141 N TRP A 13 9.114 7.347 -13.049 1.00 23.34 N ATOM 142 CA TRP A 13 10.475 7.856 -12.926 1.00 4.33 C ATOM 143 C TRP A 13 10.686 9.069 -13.825 1.00 50.04 C ATOM 144 O TRP A 13 11.792 9.310 -14.310 1.00 21.15 O ATOM 145 CB TRP A 13 11.485 6.763 -13.278 1.00 61.32 C ATOM 146 CG TRP A 13 11.064 5.919 -14.443 1.00 60.21 C ATOM 147 CD1 TRP A 13 10.383 4.736 -14.394 1.00 62.15 C ATOM 148 CD2 TRP A 13 11.298 6.193 -15.829 1.00 22.43 C ATOM 149 NE1 TRP A 13 10.180 4.258 -15.667 1.00 20.24 N ATOM 150 CE2 TRP A 13 10.731 5.134 -16.564 1.00 70.53 C ATOM 151 CE3 TRP A 13 11.930 7.230 -16.520 1.00 14.12 C ATOM 152 CZ2 TRP A 13 10.779 5.084 -17.955 1.00 11.01 C ATOM 153 CZ3 TRP A 13 11.977 7.179 -17.900 1.00 14.31 C ATOM 154 CH2 TRP A 13 11.404 6.113 -18.606 1.00 15.03 C ATOM 0 H TRP A 13 8.902 6.922 -13.952 1.00 23.34 H new ATOM 0 HA TRP A 13 10.629 8.163 -11.891 1.00 4.33 H new ATOM 0 HB2 TRP A 13 12.447 7.225 -13.502 1.00 61.32 H new ATOM 0 HB3 TRP A 13 11.634 6.122 -12.409 1.00 61.32 H new ATOM 0 HD1 TRP A 13 10.053 4.248 -13.489 1.00 62.15 H new ATOM 0 HE1 TRP A 13 9.697 3.391 -15.905 1.00 20.24 H new ATOM 0 HE3 TRP A 13 12.374 8.057 -15.985 1.00 14.12 H new ATOM 0 HZ2 TRP A 13 10.339 4.262 -18.501 1.00 11.01 H new ATOM 0 HZ3 TRP A 13 12.464 7.975 -18.444 1.00 14.31 H new ATOM 0 HH2 TRP A 13 11.457 6.103 -19.685 1.00 15.03 H new ATOM 165 N TYR A 14 9.619 9.829 -14.045 1.00 42.41 N ATOM 166 CA TYR A 14 9.688 11.017 -14.889 1.00 34.50 C ATOM 167 C TYR A 14 8.897 12.168 -14.275 1.00 32.31 C ATOM 168 O TYR A 14 7.756 11.993 -13.847 1.00 31.31 O ATOM 169 CB TYR A 14 9.153 10.705 -16.288 1.00 21.01 C ATOM 170 CG TYR A 14 9.548 11.728 -17.329 1.00 22.02 C ATOM 171 CD1 TYR A 14 10.844 12.228 -17.383 1.00 73.32 C ATOM 172 CD2 TYR A 14 8.626 12.196 -18.257 1.00 64.41 C ATOM 173 CE1 TYR A 14 11.209 13.163 -18.332 1.00 2.01 C ATOM 174 CE2 TYR A 14 8.983 13.130 -19.210 1.00 64.42 C ATOM 175 CZ TYR A 14 10.276 13.610 -19.243 1.00 52.45 C ATOM 176 OH TYR A 14 10.635 14.542 -20.190 1.00 70.15 O ATOM 0 H TYR A 14 8.696 9.644 -13.651 1.00 42.41 H new ATOM 0 HA TYR A 14 10.733 11.318 -14.965 1.00 34.50 H new ATOM 0 HB2 TYR A 14 9.517 9.725 -16.597 1.00 21.01 H new ATOM 0 HB3 TYR A 14 8.066 10.642 -16.246 1.00 21.01 H new ATOM 0 HD1 TYR A 14 11.578 11.880 -16.671 1.00 73.32 H new ATOM 0 HD2 TYR A 14 7.613 11.823 -18.233 1.00 64.41 H new ATOM 0 HE1 TYR A 14 12.220 13.542 -18.360 1.00 2.01 H new ATOM 0 HE2 TYR A 14 8.254 13.482 -19.925 1.00 64.42 H new ATOM 0 HH TYR A 14 9.909 15.190 -20.303 1.00 70.15 H new ATOM 186 N TRP A 15 9.511 13.344 -14.236 1.00 45.23 N ATOM 187 CA TRP A 15 8.866 14.526 -13.675 1.00 73.35 C ATOM 188 C TRP A 15 8.724 15.620 -14.728 1.00 22.13 C ATOM 189 O TRP A 15 7.622 15.908 -15.193 1.00 65.12 O ATOM 190 CB TRP A 15 9.664 15.050 -12.481 1.00 21.12 C ATOM 191 CG TRP A 15 10.169 13.963 -11.581 1.00 33.04 C ATOM 192 CD1 TRP A 15 11.472 13.682 -11.286 1.00 63.44 C ATOM 193 CD2 TRP A 15 9.378 13.012 -10.859 1.00 62.45 C ATOM 194 NE1 TRP A 15 11.540 12.613 -10.426 1.00 32.42 N ATOM 195 CE2 TRP A 15 10.269 12.184 -10.148 1.00 12.00 C ATOM 196 CE3 TRP A 15 8.005 12.780 -10.744 1.00 21.51 C ATOM 197 CZ2 TRP A 15 9.829 11.143 -9.335 1.00 73.21 C ATOM 198 CZ3 TRP A 15 7.570 11.746 -9.937 1.00 71.50 C ATOM 199 CH2 TRP A 15 8.479 10.938 -9.241 1.00 0.15 C ATOM 0 H TRP A 15 10.455 13.505 -14.586 1.00 45.23 H new ATOM 0 HA TRP A 15 7.869 14.240 -13.339 1.00 73.35 H new ATOM 0 HB2 TRP A 15 10.510 15.632 -12.846 1.00 21.12 H new ATOM 0 HB3 TRP A 15 9.036 15.728 -11.903 1.00 21.12 H new ATOM 0 HD1 TRP A 15 12.324 14.221 -11.672 1.00 63.44 H new ATOM 0 HE1 TRP A 15 12.398 12.205 -10.055 1.00 32.42 H new ATOM 0 HE3 TRP A 15 7.297 13.398 -11.276 1.00 21.51 H new ATOM 0 HZ2 TRP A 15 10.528 10.519 -8.798 1.00 73.21 H new ATOM 0 HZ3 TRP A 15 6.511 11.557 -9.841 1.00 71.50 H new ATOM 0 HH2 TRP A 15 8.107 10.138 -8.618 1.00 0.15 H new ATOM 210 N GLY A 16 9.847 16.227 -15.099 1.00 5.10 N ATOM 211 CA GLY A 16 9.826 17.283 -16.094 1.00 52.03 C ATOM 212 C GLY A 16 11.168 17.974 -16.236 1.00 14.03 C ATOM 213 O GLY A 16 12.207 17.399 -15.911 1.00 73.14 O ATOM 0 H GLY A 16 10.771 16.006 -14.728 1.00 5.10 H new ATOM 0 HA2 GLY A 16 9.533 16.865 -17.057 1.00 52.03 H new ATOM 0 HA3 GLY A 16 9.069 18.019 -15.822 1.00 52.03 H new ATOM 217 N ARG A 17 11.146 19.210 -16.723 1.00 2.44 N ATOM 218 CA ARG A 17 12.371 19.979 -16.909 1.00 52.31 C ATOM 219 C ARG A 17 12.821 20.612 -15.595 1.00 60.25 C ATOM 220 O ARG A 17 12.061 21.334 -14.949 1.00 40.22 O ATOM 221 CB ARG A 17 12.160 21.066 -17.965 1.00 1.11 C ATOM 222 CG ARG A 17 13.442 21.770 -18.378 1.00 50.52 C ATOM 223 CD ARG A 17 13.326 22.364 -19.773 1.00 44.15 C ATOM 224 NE ARG A 17 12.563 23.609 -19.777 1.00 73.12 N ATOM 225 CZ ARG A 17 11.920 24.074 -20.843 1.00 23.21 C ATOM 226 NH1 ARG A 17 11.949 23.400 -21.985 1.00 2.24 N ATOM 227 NH2 ARG A 17 11.247 25.215 -20.768 1.00 33.53 N ATOM 0 H ARG A 17 10.294 19.700 -16.996 1.00 2.44 H new ATOM 0 HA ARG A 17 13.150 19.297 -17.249 1.00 52.31 H new ATOM 0 HB2 ARG A 17 11.700 20.620 -18.847 1.00 1.11 H new ATOM 0 HB3 ARG A 17 11.458 21.805 -17.579 1.00 1.11 H new ATOM 0 HG2 ARG A 17 13.671 22.560 -17.663 1.00 50.52 H new ATOM 0 HG3 ARG A 17 14.272 21.064 -18.350 1.00 50.52 H new ATOM 0 HD2 ARG A 17 14.323 22.549 -20.172 1.00 44.15 H new ATOM 0 HD3 ARG A 17 12.846 21.643 -20.435 1.00 44.15 H new ATOM 0 HE ARG A 17 12.521 24.152 -18.914 1.00 73.12 H new ATOM 0 HH11 ARG A 17 12.466 22.523 -22.046 1.00 2.24 H new ATOM 0 HH12 ARG A 17 11.455 23.759 -22.802 1.00 2.24 H new ATOM 0 HH21 ARG A 17 11.223 25.736 -19.892 1.00 33.53 H new ATOM 0 HH22 ARG A 17 10.754 25.571 -21.587 1.00 33.53 H new ATOM 241 N LEU A 18 14.061 20.335 -15.206 1.00 54.00 N ATOM 242 CA LEU A 18 14.613 20.876 -13.969 1.00 13.30 C ATOM 243 C LEU A 18 16.066 21.297 -14.160 1.00 24.13 C ATOM 244 O LEU A 18 16.947 20.457 -14.344 1.00 21.32 O ATOM 245 CB LEU A 18 14.512 19.842 -12.847 1.00 22.42 C ATOM 246 CG LEU A 18 13.237 19.887 -12.004 1.00 41.10 C ATOM 247 CD1 LEU A 18 13.263 18.803 -10.938 1.00 31.11 C ATOM 248 CD2 LEU A 18 13.067 21.259 -11.368 1.00 51.11 C ATOM 0 H LEU A 18 14.703 19.739 -15.729 1.00 54.00 H new ATOM 0 HA LEU A 18 14.032 21.757 -13.695 1.00 13.30 H new ATOM 0 HB2 LEU A 18 14.597 18.849 -13.287 1.00 22.42 H new ATOM 0 HB3 LEU A 18 15.367 19.971 -12.183 1.00 22.42 H new ATOM 0 HG LEU A 18 12.385 19.703 -12.658 1.00 41.10 H new ATOM 0 HD11 LEU A 18 12.348 18.851 -10.348 1.00 31.11 H new ATOM 0 HD12 LEU A 18 13.337 17.826 -11.415 1.00 31.11 H new ATOM 0 HD13 LEU A 18 14.123 18.955 -10.286 1.00 31.11 H new ATOM 0 HD21 LEU A 18 12.155 21.273 -10.772 1.00 51.11 H new ATOM 0 HD22 LEU A 18 13.923 21.471 -10.727 1.00 51.11 H new ATOM 0 HD23 LEU A 18 13.002 22.017 -12.149 1.00 51.11 H new ATOM 260 N SER A 19 16.310 22.603 -14.112 1.00 65.41 N ATOM 261 CA SER A 19 17.657 23.135 -14.281 1.00 44.22 C ATOM 262 C SER A 19 18.631 22.469 -13.314 1.00 35.44 C ATOM 263 O SER A 19 18.264 21.547 -12.584 1.00 41.10 O ATOM 264 CB SER A 19 17.661 24.649 -14.064 1.00 11.54 C ATOM 265 OG SER A 19 17.335 25.337 -15.259 1.00 13.21 O ATOM 0 H SER A 19 15.593 23.312 -13.958 1.00 65.41 H new ATOM 0 HA SER A 19 17.980 22.920 -15.300 1.00 44.22 H new ATOM 0 HB2 SER A 19 16.945 24.909 -13.284 1.00 11.54 H new ATOM 0 HB3 SER A 19 18.643 24.967 -13.714 1.00 11.54 H new ATOM 0 HG SER A 19 17.343 26.303 -15.093 1.00 13.21 H new ATOM 271 N ARG A 20 19.872 22.942 -13.314 1.00 25.33 N ATOM 272 CA ARG A 20 20.900 22.392 -12.437 1.00 74.34 C ATOM 273 C ARG A 20 20.603 22.723 -10.978 1.00 4.03 C ATOM 274 O ARG A 20 20.690 21.859 -10.106 1.00 33.31 O ATOM 275 CB ARG A 20 22.276 22.935 -12.826 1.00 11.33 C ATOM 276 CG ARG A 20 22.359 24.453 -12.807 1.00 73.11 C ATOM 277 CD ARG A 20 23.661 24.947 -13.416 1.00 44.23 C ATOM 278 NE ARG A 20 23.897 24.378 -14.740 1.00 62.24 N ATOM 279 CZ ARG A 20 24.521 23.223 -14.943 1.00 72.42 C ATOM 280 NH1 ARG A 20 24.968 22.517 -13.913 1.00 44.45 N ATOM 281 NH2 ARG A 20 24.697 22.770 -16.178 1.00 43.31 N ATOM 0 H ARG A 20 20.191 23.705 -13.911 1.00 25.33 H new ATOM 0 HA ARG A 20 20.900 21.308 -12.552 1.00 74.34 H new ATOM 0 HB2 ARG A 20 23.023 22.530 -12.144 1.00 11.33 H new ATOM 0 HB3 ARG A 20 22.529 22.578 -13.824 1.00 11.33 H new ATOM 0 HG2 ARG A 20 21.517 24.871 -13.358 1.00 73.11 H new ATOM 0 HG3 ARG A 20 22.278 24.810 -11.780 1.00 73.11 H new ATOM 0 HD2 ARG A 20 23.638 26.034 -13.488 1.00 44.23 H new ATOM 0 HD3 ARG A 20 24.490 24.689 -12.757 1.00 44.23 H new ATOM 0 HE ARG A 20 23.564 24.896 -15.553 1.00 62.24 H new ATOM 0 HH11 ARG A 20 24.833 22.861 -12.962 1.00 44.45 H new ATOM 0 HH12 ARG A 20 25.447 21.630 -14.072 1.00 44.45 H new ATOM 0 HH21 ARG A 20 24.353 23.309 -16.973 1.00 43.31 H new ATOM 0 HH22 ARG A 20 25.176 21.883 -16.332 1.00 43.31 H new ATOM 295 N GLN A 21 20.255 23.979 -10.720 1.00 53.54 N ATOM 296 CA GLN A 21 19.947 24.424 -9.366 1.00 41.43 C ATOM 297 C GLN A 21 18.598 23.880 -8.908 1.00 2.23 C ATOM 298 O GLN A 21 18.426 23.526 -7.742 1.00 71.21 O ATOM 299 CB GLN A 21 19.944 25.953 -9.297 1.00 61.53 C ATOM 300 CG GLN A 21 18.926 26.601 -10.221 1.00 40.22 C ATOM 301 CD GLN A 21 19.140 28.095 -10.368 1.00 70.25 C ATOM 302 OE1 GLN A 21 19.760 28.553 -11.329 1.00 15.11 O ATOM 303 NE2 GLN A 21 18.627 28.863 -9.415 1.00 11.50 N ATOM 0 H GLN A 21 20.179 24.707 -11.431 1.00 53.54 H new ATOM 0 HA GLN A 21 20.719 24.039 -8.700 1.00 41.43 H new ATOM 0 HB2 GLN A 21 19.740 26.262 -8.272 1.00 61.53 H new ATOM 0 HB3 GLN A 21 20.938 26.322 -9.549 1.00 61.53 H new ATOM 0 HG2 GLN A 21 18.981 26.131 -11.203 1.00 40.22 H new ATOM 0 HG3 GLN A 21 17.923 26.417 -9.836 1.00 40.22 H new ATOM 0 HE21 GLN A 21 18.121 28.440 -8.637 1.00 11.50 H new ATOM 0 HE22 GLN A 21 18.739 29.876 -9.461 1.00 11.50 H new ATOM 312 N GLU A 22 17.645 23.818 -9.833 1.00 24.44 N ATOM 313 CA GLU A 22 16.311 23.318 -9.521 1.00 64.54 C ATOM 314 C GLU A 22 16.342 21.815 -9.256 1.00 51.02 C ATOM 315 O GLU A 22 15.799 21.339 -8.260 1.00 33.11 O ATOM 316 CB GLU A 22 15.347 23.624 -10.669 1.00 10.50 C ATOM 317 CG GLU A 22 15.377 25.076 -11.118 1.00 21.14 C ATOM 318 CD GLU A 22 14.972 26.036 -10.016 1.00 30.43 C ATOM 319 OE1 GLU A 22 13.832 25.922 -9.518 1.00 64.22 O ATOM 320 OE2 GLU A 22 15.796 26.901 -9.651 1.00 33.42 O ATOM 0 H GLU A 22 17.772 24.107 -10.803 1.00 24.44 H new ATOM 0 HA GLU A 22 15.963 23.822 -8.619 1.00 64.54 H new ATOM 0 HB2 GLU A 22 15.591 22.985 -11.518 1.00 10.50 H new ATOM 0 HB3 GLU A 22 14.334 23.369 -10.359 1.00 10.50 H new ATOM 0 HG2 GLU A 22 16.381 25.326 -11.461 1.00 21.14 H new ATOM 0 HG3 GLU A 22 14.708 25.203 -11.969 1.00 21.14 H new ATOM 327 N ALA A 23 16.981 21.074 -10.156 1.00 14.22 N ATOM 328 CA ALA A 23 17.084 19.627 -10.019 1.00 75.41 C ATOM 329 C ALA A 23 17.812 19.247 -8.735 1.00 25.04 C ATOM 330 O ALA A 23 17.419 18.311 -8.039 1.00 33.21 O ATOM 331 CB ALA A 23 17.793 19.032 -11.226 1.00 71.44 C ATOM 0 H ALA A 23 17.435 21.452 -10.987 1.00 14.22 H new ATOM 0 HA ALA A 23 16.074 19.219 -9.967 1.00 75.41 H new ATOM 0 HB1 ALA A 23 17.863 17.950 -11.110 1.00 71.44 H new ATOM 0 HB2 ALA A 23 17.230 19.265 -12.130 1.00 71.44 H new ATOM 0 HB3 ALA A 23 18.795 19.454 -11.304 1.00 71.44 H new ATOM 337 N VAL A 24 18.878 19.979 -8.426 1.00 1.22 N ATOM 338 CA VAL A 24 19.662 19.719 -7.224 1.00 41.33 C ATOM 339 C VAL A 24 18.925 20.188 -5.975 1.00 31.11 C ATOM 340 O VAL A 24 18.961 19.529 -4.937 1.00 21.55 O ATOM 341 CB VAL A 24 21.035 20.415 -7.288 1.00 53.24 C ATOM 342 CG1 VAL A 24 21.816 20.175 -6.005 1.00 53.24 C ATOM 343 CG2 VAL A 24 21.820 19.933 -8.499 1.00 21.14 C ATOM 0 H VAL A 24 19.218 20.757 -8.991 1.00 1.22 H new ATOM 0 HA VAL A 24 19.811 18.641 -7.171 1.00 41.33 H new ATOM 0 HB VAL A 24 20.875 21.488 -7.391 1.00 53.24 H new ATOM 0 HG11 VAL A 24 22.783 20.674 -6.069 1.00 53.24 H new ATOM 0 HG12 VAL A 24 21.257 20.574 -5.159 1.00 53.24 H new ATOM 0 HG13 VAL A 24 21.969 19.105 -5.867 1.00 53.24 H new ATOM 0 HG21 VAL A 24 22.787 20.435 -8.529 1.00 21.14 H new ATOM 0 HG22 VAL A 24 21.972 18.856 -8.429 1.00 21.14 H new ATOM 0 HG23 VAL A 24 21.264 20.163 -9.408 1.00 21.14 H new ATOM 353 N ALA A 25 18.256 21.331 -6.083 1.00 53.02 N ATOM 354 CA ALA A 25 17.507 21.887 -4.963 1.00 2.12 C ATOM 355 C ALA A 25 16.736 20.799 -4.224 1.00 21.24 C ATOM 356 O ALA A 25 16.748 20.742 -2.993 1.00 71.12 O ATOM 357 CB ALA A 25 16.558 22.972 -5.449 1.00 74.11 C ATOM 0 H ALA A 25 18.217 21.890 -6.935 1.00 53.02 H new ATOM 0 HA ALA A 25 18.219 22.329 -4.266 1.00 2.12 H new ATOM 0 HB1 ALA A 25 16.005 23.378 -4.602 1.00 74.11 H new ATOM 0 HB2 ALA A 25 17.130 23.769 -5.925 1.00 74.11 H new ATOM 0 HB3 ALA A 25 15.858 22.548 -6.169 1.00 74.11 H new ATOM 363 N LEU A 26 16.066 19.937 -4.981 1.00 11.24 N ATOM 364 CA LEU A 26 15.288 18.850 -4.397 1.00 32.01 C ATOM 365 C LEU A 26 16.071 17.542 -4.429 1.00 22.42 C ATOM 366 O LEU A 26 15.903 16.684 -3.561 1.00 24.30 O ATOM 367 CB LEU A 26 13.965 18.684 -5.146 1.00 73.23 C ATOM 368 CG LEU A 26 14.004 17.793 -6.388 1.00 70.42 C ATOM 369 CD1 LEU A 26 12.668 17.094 -6.586 1.00 53.14 C ATOM 370 CD2 LEU A 26 14.369 18.609 -7.619 1.00 51.23 C ATOM 0 H LEU A 26 16.046 19.970 -6.000 1.00 11.24 H new ATOM 0 HA LEU A 26 15.081 19.102 -3.357 1.00 32.01 H new ATOM 0 HB2 LEU A 26 13.228 18.277 -4.454 1.00 73.23 H new ATOM 0 HB3 LEU A 26 13.612 19.672 -5.443 1.00 73.23 H new ATOM 0 HG LEU A 26 14.770 17.032 -6.241 1.00 70.42 H new ATOM 0 HD11 LEU A 26 12.715 16.464 -7.475 1.00 53.14 H new ATOM 0 HD12 LEU A 26 12.448 16.477 -5.715 1.00 53.14 H new ATOM 0 HD13 LEU A 26 11.882 17.839 -6.710 1.00 53.14 H new ATOM 0 HD21 LEU A 26 14.392 17.958 -8.493 1.00 51.23 H new ATOM 0 HD22 LEU A 26 13.626 19.393 -7.769 1.00 51.23 H new ATOM 0 HD23 LEU A 26 15.351 19.061 -7.478 1.00 51.23 H new ATOM 382 N LEU A 27 16.929 17.396 -5.433 1.00 34.11 N ATOM 383 CA LEU A 27 17.741 16.193 -5.577 1.00 73.31 C ATOM 384 C LEU A 27 19.071 16.343 -4.847 1.00 23.05 C ATOM 385 O LEU A 27 20.103 15.858 -5.311 1.00 13.31 O ATOM 386 CB LEU A 27 17.989 15.896 -7.057 1.00 22.51 C ATOM 387 CG LEU A 27 18.563 14.515 -7.377 1.00 45.11 C ATOM 388 CD1 LEU A 27 17.553 13.427 -7.049 1.00 12.23 C ATOM 389 CD2 LEU A 27 18.979 14.436 -8.839 1.00 54.10 C ATOM 0 H LEU A 27 17.080 18.096 -6.159 1.00 34.11 H new ATOM 0 HA LEU A 27 17.196 15.361 -5.132 1.00 73.31 H new ATOM 0 HB2 LEU A 27 17.046 16.009 -7.593 1.00 22.51 H new ATOM 0 HB3 LEU A 27 18.671 16.651 -7.449 1.00 22.51 H new ATOM 0 HG LEU A 27 19.447 14.359 -6.759 1.00 45.11 H new ATOM 0 HD11 LEU A 27 17.980 12.452 -7.283 1.00 12.23 H new ATOM 0 HD12 LEU A 27 17.305 13.469 -5.989 1.00 12.23 H new ATOM 0 HD13 LEU A 27 16.650 13.579 -7.640 1.00 12.23 H new ATOM 0 HD21 LEU A 27 19.385 13.446 -9.049 1.00 54.10 H new ATOM 0 HD22 LEU A 27 18.111 14.614 -9.474 1.00 54.10 H new ATOM 0 HD23 LEU A 27 19.739 15.191 -9.042 1.00 54.10 H new ATOM 401 N GLN A 28 19.039 17.016 -3.701 1.00 34.33 N ATOM 402 CA GLN A 28 20.242 17.228 -2.905 1.00 62.15 C ATOM 403 C GLN A 28 20.554 16.003 -2.053 1.00 22.34 C ATOM 404 O GLN A 28 20.553 16.072 -0.824 1.00 55.13 O ATOM 405 CB GLN A 28 20.078 18.458 -2.011 1.00 51.03 C ATOM 406 CG GLN A 28 21.393 18.999 -1.473 1.00 54.12 C ATOM 407 CD GLN A 28 22.460 17.929 -1.356 1.00 32.33 C ATOM 408 OE1 GLN A 28 22.581 17.268 -0.324 1.00 63.40 O ATOM 409 NE2 GLN A 28 23.240 17.752 -2.415 1.00 64.12 N ATOM 0 H GLN A 28 18.193 17.424 -3.303 1.00 34.33 H new ATOM 0 HA GLN A 28 21.075 17.394 -3.589 1.00 62.15 H new ATOM 0 HB2 GLN A 28 19.576 19.243 -2.576 1.00 51.03 H new ATOM 0 HB3 GLN A 28 19.429 18.204 -1.173 1.00 51.03 H new ATOM 0 HG2 GLN A 28 21.750 19.793 -2.129 1.00 54.12 H new ATOM 0 HG3 GLN A 28 21.224 19.447 -0.494 1.00 54.12 H new ATOM 0 HE21 GLN A 28 23.104 18.322 -3.250 1.00 64.12 H new ATOM 0 HE22 GLN A 28 23.975 17.045 -2.394 1.00 64.12 H new ATOM 418 N GLY A 29 20.822 14.880 -2.713 1.00 54.12 N ATOM 419 CA GLY A 29 21.131 13.655 -1.999 1.00 42.14 C ATOM 420 C GLY A 29 20.175 13.395 -0.852 1.00 41.12 C ATOM 421 O GLY A 29 20.532 13.568 0.313 1.00 44.45 O ATOM 0 H GLY A 29 20.831 14.797 -3.730 1.00 54.12 H new ATOM 0 HA2 GLY A 29 21.097 12.815 -2.693 1.00 42.14 H new ATOM 0 HA3 GLY A 29 22.149 13.710 -1.614 1.00 42.14 H new ATOM 425 N GLN A 30 18.956 12.980 -1.182 1.00 64.33 N ATOM 426 CA GLN A 30 17.946 12.698 -0.170 1.00 14.02 C ATOM 427 C GLN A 30 18.180 11.333 0.468 1.00 73.40 C ATOM 428 O GLN A 30 18.549 11.239 1.639 1.00 62.45 O ATOM 429 CB GLN A 30 16.547 12.753 -0.786 1.00 52.22 C ATOM 430 CG GLN A 30 15.949 14.151 -0.814 1.00 71.40 C ATOM 431 CD GLN A 30 16.792 15.131 -1.605 1.00 65.33 C ATOM 432 OE1 GLN A 30 16.979 16.278 -1.198 1.00 32.54 O ATOM 433 NE2 GLN A 30 17.308 14.683 -2.744 1.00 44.31 N ATOM 0 H GLN A 30 18.645 12.832 -2.142 1.00 64.33 H new ATOM 0 HA GLN A 30 18.024 13.459 0.606 1.00 14.02 H new ATOM 0 HB2 GLN A 30 16.592 12.366 -1.804 1.00 52.22 H new ATOM 0 HB3 GLN A 30 15.885 12.095 -0.223 1.00 52.22 H new ATOM 0 HG2 GLN A 30 14.950 14.106 -1.247 1.00 71.40 H new ATOM 0 HG3 GLN A 30 15.838 14.515 0.207 1.00 71.40 H new ATOM 0 HE21 GLN A 30 17.128 13.725 -3.044 1.00 44.31 H new ATOM 0 HE22 GLN A 30 17.885 15.297 -3.319 1.00 44.31 H new ATOM 442 N ARG A 31 17.962 10.277 -0.309 1.00 74.23 N ATOM 443 CA ARG A 31 18.147 8.916 0.180 1.00 3.25 C ATOM 444 C ARG A 31 19.547 8.406 -0.150 1.00 32.21 C ATOM 445 O ARG A 31 20.248 8.981 -0.983 1.00 23.32 O ATOM 446 CB ARG A 31 17.097 7.985 -0.427 1.00 74.00 C ATOM 447 CG ARG A 31 16.709 6.829 0.481 1.00 42.20 C ATOM 448 CD ARG A 31 15.802 5.839 -0.233 1.00 44.43 C ATOM 449 NE ARG A 31 14.389 6.148 -0.032 1.00 42.35 N ATOM 450 CZ ARG A 31 13.416 5.253 -0.160 1.00 51.41 C ATOM 451 NH1 ARG A 31 13.702 4.000 -0.486 1.00 14.31 N ATOM 452 NH2 ARG A 31 12.154 5.611 0.039 1.00 13.10 N ATOM 0 H ARG A 31 17.657 10.338 -1.280 1.00 74.23 H new ATOM 0 HA ARG A 31 18.029 8.927 1.263 1.00 3.25 H new ATOM 0 HB2 ARG A 31 16.205 8.564 -0.665 1.00 74.00 H new ATOM 0 HB3 ARG A 31 17.478 7.585 -1.367 1.00 74.00 H new ATOM 0 HG2 ARG A 31 17.608 6.318 0.825 1.00 42.20 H new ATOM 0 HG3 ARG A 31 16.203 7.214 1.366 1.00 42.20 H new ATOM 0 HD2 ARG A 31 16.026 5.846 -1.300 1.00 44.43 H new ATOM 0 HD3 ARG A 31 16.008 4.832 0.130 1.00 44.43 H new ATOM 0 HE ARG A 31 14.135 7.103 0.220 1.00 42.35 H new ATOM 0 HH11 ARG A 31 14.671 3.721 -0.639 1.00 14.31 H new ATOM 0 HH12 ARG A 31 12.953 3.315 -0.584 1.00 14.31 H new ATOM 0 HH21 ARG A 31 11.931 6.574 0.290 1.00 13.10 H new ATOM 0 HH22 ARG A 31 11.407 4.923 -0.059 1.00 13.10 H new ATOM 466 N HIS A 32 19.947 7.323 0.509 1.00 21.11 N ATOM 467 CA HIS A 32 21.263 6.735 0.285 1.00 31.44 C ATOM 468 C HIS A 32 21.698 6.912 -1.166 1.00 51.42 C ATOM 469 O HIS A 32 22.883 7.078 -1.454 1.00 35.32 O ATOM 470 CB HIS A 32 21.249 5.249 0.648 1.00 42.33 C ATOM 471 CG HIS A 32 20.570 4.957 1.950 1.00 74.31 C ATOM 472 ND1 HIS A 32 19.956 3.753 2.225 1.00 61.33 N ATOM 473 CD2 HIS A 32 20.410 5.720 3.057 1.00 64.45 C ATOM 474 CE1 HIS A 32 19.447 3.788 3.443 1.00 4.44 C ATOM 475 NE2 HIS A 32 19.710 4.971 3.970 1.00 72.00 N ATOM 0 H HIS A 32 19.379 6.835 1.202 1.00 21.11 H new ATOM 0 HA HIS A 32 21.978 7.252 0.925 1.00 31.44 H new ATOM 0 HB2 HIS A 32 20.749 4.694 -0.146 1.00 42.33 H new ATOM 0 HB3 HIS A 32 22.275 4.885 0.693 1.00 42.33 H new ATOM 0 HD2 HIS A 32 20.767 6.730 3.196 1.00 64.45 H new ATOM 0 HE1 HIS A 32 18.908 2.987 3.926 1.00 4.44 H new ATOM 0 HE2 HIS A 32 19.437 5.278 4.904 1.00 72.00 H new ATOM 483 N GLY A 33 20.730 6.876 -2.078 1.00 5.23 N ATOM 484 CA GLY A 33 21.034 7.034 -3.488 1.00 71.31 C ATOM 485 C GLY A 33 19.793 6.979 -4.358 1.00 25.34 C ATOM 486 O GLY A 33 19.300 5.898 -4.680 1.00 32.00 O ATOM 0 H GLY A 33 19.742 6.740 -1.865 1.00 5.23 H new ATOM 0 HA2 GLY A 33 21.541 7.987 -3.643 1.00 71.31 H new ATOM 0 HA3 GLY A 33 21.726 6.251 -3.797 1.00 71.31 H new ATOM 490 N VAL A 34 19.287 8.147 -4.738 1.00 14.34 N ATOM 491 CA VAL A 34 18.096 8.228 -5.575 1.00 14.24 C ATOM 492 C VAL A 34 18.405 8.901 -6.907 1.00 51.40 C ATOM 493 O VAL A 34 19.197 9.842 -6.971 1.00 21.33 O ATOM 494 CB VAL A 34 16.966 9.003 -4.870 1.00 42.33 C ATOM 495 CG1 VAL A 34 16.669 8.395 -3.508 1.00 64.33 C ATOM 496 CG2 VAL A 34 17.332 10.474 -4.738 1.00 21.00 C ATOM 0 H VAL A 34 19.683 9.051 -4.480 1.00 14.34 H new ATOM 0 HA VAL A 34 17.766 7.205 -5.756 1.00 14.24 H new ATOM 0 HB VAL A 34 16.064 8.929 -5.478 1.00 42.33 H new ATOM 0 HG11 VAL A 34 15.868 8.956 -3.026 1.00 64.33 H new ATOM 0 HG12 VAL A 34 16.361 7.357 -3.632 1.00 64.33 H new ATOM 0 HG13 VAL A 34 17.565 8.436 -2.888 1.00 64.33 H new ATOM 0 HG21 VAL A 34 16.523 11.007 -4.238 1.00 21.00 H new ATOM 0 HG22 VAL A 34 18.246 10.570 -4.153 1.00 21.00 H new ATOM 0 HG23 VAL A 34 17.489 10.900 -5.729 1.00 21.00 H new ATOM 506 N PHE A 35 17.774 8.414 -7.970 1.00 41.13 N ATOM 507 CA PHE A 35 17.982 8.968 -9.303 1.00 40.31 C ATOM 508 C PHE A 35 16.737 9.707 -9.785 1.00 40.21 C ATOM 509 O PHE A 35 15.620 9.406 -9.362 1.00 52.55 O ATOM 510 CB PHE A 35 18.343 7.856 -10.290 1.00 42.52 C ATOM 511 CG PHE A 35 19.768 7.394 -10.177 1.00 73.12 C ATOM 512 CD1 PHE A 35 20.360 7.228 -8.936 1.00 33.14 C ATOM 513 CD2 PHE A 35 20.515 7.126 -11.313 1.00 30.22 C ATOM 514 CE1 PHE A 35 21.670 6.802 -8.828 1.00 43.01 C ATOM 515 CE2 PHE A 35 21.826 6.699 -11.211 1.00 53.35 C ATOM 516 CZ PHE A 35 22.404 6.538 -9.968 1.00 5.43 C ATOM 0 H PHE A 35 17.114 7.637 -7.935 1.00 41.13 H new ATOM 0 HA PHE A 35 18.807 9.678 -9.249 1.00 40.31 H new ATOM 0 HB2 PHE A 35 17.680 7.007 -10.126 1.00 42.52 H new ATOM 0 HB3 PHE A 35 18.163 8.210 -11.305 1.00 42.52 H new ATOM 0 HD1 PHE A 35 19.791 7.434 -8.042 1.00 33.14 H new ATOM 0 HD2 PHE A 35 20.068 7.252 -12.288 1.00 30.22 H new ATOM 0 HE1 PHE A 35 22.119 6.676 -7.854 1.00 43.01 H new ATOM 0 HE2 PHE A 35 22.398 6.492 -12.104 1.00 53.35 H new ATOM 0 HZ PHE A 35 23.429 6.206 -9.887 1.00 5.43 H new ATOM 526 N LEU A 36 16.938 10.676 -10.672 1.00 33.12 N ATOM 527 CA LEU A 36 15.832 11.459 -11.212 1.00 42.52 C ATOM 528 C LEU A 36 16.032 11.729 -12.700 1.00 42.31 C ATOM 529 O LEU A 36 17.153 11.957 -13.155 1.00 41.13 O ATOM 530 CB LEU A 36 15.701 12.782 -10.455 1.00 42.45 C ATOM 531 CG LEU A 36 15.077 13.942 -11.233 1.00 64.33 C ATOM 532 CD1 LEU A 36 14.352 14.889 -10.290 1.00 20.51 C ATOM 533 CD2 LEU A 36 16.142 14.687 -12.025 1.00 61.31 C ATOM 0 H LEU A 36 17.856 10.938 -11.032 1.00 33.12 H new ATOM 0 HA LEU A 36 14.915 10.883 -11.086 1.00 42.52 H new ATOM 0 HB2 LEU A 36 15.103 12.608 -9.560 1.00 42.45 H new ATOM 0 HB3 LEU A 36 16.693 13.086 -10.122 1.00 42.45 H new ATOM 0 HG LEU A 36 14.350 13.534 -11.935 1.00 64.33 H new ATOM 0 HD11 LEU A 36 13.915 15.708 -10.862 1.00 20.51 H new ATOM 0 HD12 LEU A 36 13.562 14.349 -9.768 1.00 20.51 H new ATOM 0 HD13 LEU A 36 15.058 15.291 -9.564 1.00 20.51 H new ATOM 0 HD21 LEU A 36 15.680 15.509 -12.572 1.00 61.31 H new ATOM 0 HD22 LEU A 36 16.893 15.083 -11.342 1.00 61.31 H new ATOM 0 HD23 LEU A 36 16.616 14.004 -12.729 1.00 61.31 H new ATOM 545 N VAL A 37 14.937 11.704 -13.453 1.00 62.03 N ATOM 546 CA VAL A 37 14.991 11.949 -14.890 1.00 5.15 C ATOM 547 C VAL A 37 14.551 13.370 -15.222 1.00 15.25 C ATOM 548 O VAL A 37 13.421 13.764 -14.931 1.00 52.34 O ATOM 549 CB VAL A 37 14.105 10.955 -15.663 1.00 21.55 C ATOM 550 CG1 VAL A 37 14.074 11.305 -17.142 1.00 41.13 C ATOM 551 CG2 VAL A 37 14.596 9.530 -15.454 1.00 4.02 C ATOM 0 H VAL A 37 14.002 11.517 -13.092 1.00 62.03 H new ATOM 0 HA VAL A 37 16.028 11.812 -15.195 1.00 5.15 H new ATOM 0 HB VAL A 37 13.088 11.025 -15.277 1.00 21.55 H new ATOM 0 HG11 VAL A 37 13.443 10.591 -17.672 1.00 41.13 H new ATOM 0 HG12 VAL A 37 13.672 12.310 -17.270 1.00 41.13 H new ATOM 0 HG13 VAL A 37 15.085 11.265 -17.547 1.00 41.13 H new ATOM 0 HG21 VAL A 37 13.958 8.841 -16.007 1.00 4.02 H new ATOM 0 HG22 VAL A 37 15.622 9.442 -15.812 1.00 4.02 H new ATOM 0 HG23 VAL A 37 14.560 9.285 -14.393 1.00 4.02 H new ATOM 561 N ARG A 38 15.449 14.135 -15.832 1.00 5.41 N ATOM 562 CA ARG A 38 15.154 15.514 -16.203 1.00 75.12 C ATOM 563 C ARG A 38 14.636 15.592 -17.637 1.00 31.35 C ATOM 564 O ARG A 38 15.031 14.801 -18.494 1.00 2.24 O ATOM 565 CB ARG A 38 16.402 16.384 -16.053 1.00 4.43 C ATOM 566 CG ARG A 38 16.102 17.872 -15.971 1.00 53.14 C ATOM 567 CD ARG A 38 17.317 18.707 -16.343 1.00 1.25 C ATOM 568 NE ARG A 38 18.342 18.674 -15.303 1.00 22.11 N ATOM 569 CZ ARG A 38 19.400 19.478 -15.287 1.00 74.23 C ATOM 570 NH1 ARG A 38 19.570 20.373 -16.250 1.00 53.50 N ATOM 571 NH2 ARG A 38 20.289 19.387 -14.307 1.00 42.10 N ATOM 0 H ARG A 38 16.388 13.823 -16.080 1.00 5.41 H new ATOM 0 HA ARG A 38 14.378 15.886 -15.533 1.00 75.12 H new ATOM 0 HB2 ARG A 38 16.940 16.081 -15.155 1.00 4.43 H new ATOM 0 HB3 ARG A 38 17.065 16.202 -16.899 1.00 4.43 H new ATOM 0 HG2 ARG A 38 15.275 18.115 -16.638 1.00 53.14 H new ATOM 0 HG3 ARG A 38 15.781 18.124 -14.960 1.00 53.14 H new ATOM 0 HD2 ARG A 38 17.738 18.338 -17.279 1.00 1.25 H new ATOM 0 HD3 ARG A 38 17.009 19.738 -16.516 1.00 1.25 H new ATOM 0 HE ARG A 38 18.240 17.997 -14.547 1.00 22.11 H new ATOM 0 HH11 ARG A 38 18.888 20.445 -17.005 1.00 53.50 H new ATOM 0 HH12 ARG A 38 20.383 20.989 -16.236 1.00 53.50 H new ATOM 0 HH21 ARG A 38 20.161 18.699 -13.565 1.00 42.10 H new ATOM 0 HH22 ARG A 38 21.101 20.005 -14.296 1.00 42.10 H new ATOM 585 N ASP A 39 13.750 16.549 -17.889 1.00 32.33 N ATOM 586 CA ASP A 39 13.178 16.730 -19.218 1.00 1.40 C ATOM 587 C ASP A 39 14.029 17.685 -20.050 1.00 0.25 C ATOM 588 O ASP A 39 13.837 18.900 -20.007 1.00 43.43 O ATOM 589 CB ASP A 39 11.748 17.262 -19.113 1.00 72.21 C ATOM 590 CG ASP A 39 11.084 17.409 -20.468 1.00 41.21 C ATOM 591 OD1 ASP A 39 11.797 17.713 -21.447 1.00 54.43 O ATOM 592 OD2 ASP A 39 9.852 17.221 -20.549 1.00 51.13 O ATOM 0 H ASP A 39 13.412 17.211 -17.191 1.00 32.33 H new ATOM 0 HA ASP A 39 13.161 15.760 -19.715 1.00 1.40 H new ATOM 0 HB2 ASP A 39 11.157 16.587 -18.493 1.00 72.21 H new ATOM 0 HB3 ASP A 39 11.759 18.229 -18.610 1.00 72.21 H new ATOM 597 N SER A 40 14.970 17.127 -20.804 1.00 62.20 N ATOM 598 CA SER A 40 15.854 17.929 -21.642 1.00 20.03 C ATOM 599 C SER A 40 15.053 18.906 -22.496 1.00 41.55 C ATOM 600 O SER A 40 13.865 18.702 -22.744 1.00 53.21 O ATOM 601 CB SER A 40 16.701 17.024 -22.539 1.00 54.32 C ATOM 602 OG SER A 40 17.040 15.820 -21.874 1.00 71.33 O ATOM 0 H SER A 40 15.140 16.122 -20.852 1.00 62.20 H new ATOM 0 HA SER A 40 16.514 18.501 -20.989 1.00 20.03 H new ATOM 0 HB2 SER A 40 16.152 16.796 -23.453 1.00 54.32 H new ATOM 0 HB3 SER A 40 17.610 17.548 -22.835 1.00 54.32 H new ATOM 0 HG SER A 40 17.718 15.339 -22.393 1.00 71.33 H new ATOM 608 N SER A 41 15.713 19.970 -22.944 1.00 63.55 N ATOM 609 CA SER A 41 15.063 20.982 -23.768 1.00 62.25 C ATOM 610 C SER A 41 15.889 21.279 -25.016 1.00 42.22 C ATOM 611 O SER A 41 15.463 21.003 -26.138 1.00 65.23 O ATOM 612 CB SER A 41 14.853 22.266 -22.964 1.00 53.23 C ATOM 613 OG SER A 41 14.152 23.235 -23.725 1.00 43.20 O ATOM 0 H SER A 41 16.697 20.153 -22.750 1.00 63.55 H new ATOM 0 HA SER A 41 14.093 20.594 -24.079 1.00 62.25 H new ATOM 0 HB2 SER A 41 14.297 22.042 -22.054 1.00 53.23 H new ATOM 0 HB3 SER A 41 15.818 22.669 -22.657 1.00 53.23 H new ATOM 0 HG SER A 41 14.167 24.094 -23.254 1.00 43.20 H new ATOM 619 N THR A 42 17.075 21.845 -24.812 1.00 52.35 N ATOM 620 CA THR A 42 17.961 22.182 -25.919 1.00 43.12 C ATOM 621 C THR A 42 17.954 21.089 -26.982 1.00 10.03 C ATOM 622 O THR A 42 17.633 21.341 -28.143 1.00 15.01 O ATOM 623 CB THR A 42 19.407 22.401 -25.434 1.00 52.34 C ATOM 624 OG1 THR A 42 19.446 23.462 -24.473 1.00 54.13 O ATOM 625 CG2 THR A 42 20.324 22.734 -26.601 1.00 64.43 C ATOM 0 H THR A 42 17.444 22.079 -23.890 1.00 52.35 H new ATOM 0 HA THR A 42 17.586 23.109 -26.353 1.00 43.12 H new ATOM 0 HB THR A 42 19.755 21.478 -24.970 1.00 52.34 H new ATOM 0 HG1 THR A 42 20.368 23.594 -24.168 1.00 54.13 H new ATOM 0 HG21 THR A 42 21.339 22.884 -26.234 1.00 64.43 H new ATOM 0 HG22 THR A 42 20.315 21.912 -27.317 1.00 64.43 H new ATOM 0 HG23 THR A 42 19.976 23.644 -27.089 1.00 64.43 H new ATOM 633 N SER A 43 18.310 19.874 -26.577 1.00 14.03 N ATOM 634 CA SER A 43 18.347 18.742 -27.496 1.00 12.45 C ATOM 635 C SER A 43 17.044 18.639 -28.283 1.00 22.21 C ATOM 636 O SER A 43 15.960 18.933 -27.780 1.00 33.34 O ATOM 637 CB SER A 43 18.597 17.443 -26.728 1.00 34.12 C ATOM 638 OG SER A 43 19.976 17.269 -26.455 1.00 22.12 O ATOM 0 H SER A 43 18.577 19.648 -25.619 1.00 14.03 H new ATOM 0 HA SER A 43 19.164 18.902 -28.199 1.00 12.45 H new ATOM 0 HB2 SER A 43 18.037 17.456 -25.793 1.00 34.12 H new ATOM 0 HB3 SER A 43 18.228 16.597 -27.308 1.00 34.12 H new ATOM 0 HG SER A 43 20.088 16.911 -25.550 1.00 22.12 H new ATOM 644 N PRO A 44 17.152 18.211 -29.549 1.00 72.35 N ATOM 645 CA PRO A 44 15.993 18.058 -30.434 1.00 63.55 C ATOM 646 C PRO A 44 15.093 16.900 -30.016 1.00 64.32 C ATOM 647 O PRO A 44 13.929 16.832 -30.409 1.00 45.10 O ATOM 648 CB PRO A 44 16.625 17.777 -31.800 1.00 51.44 C ATOM 649 CG PRO A 44 17.956 17.186 -31.488 1.00 71.31 C ATOM 650 CD PRO A 44 18.413 17.843 -30.215 1.00 32.30 C ATOM 0 HA PRO A 44 15.350 18.938 -30.419 1.00 63.55 H new ATOM 0 HB2 PRO A 44 16.014 17.089 -32.385 1.00 51.44 H new ATOM 0 HB3 PRO A 44 16.725 18.691 -32.385 1.00 51.44 H new ATOM 0 HG2 PRO A 44 17.884 16.105 -31.365 1.00 71.31 H new ATOM 0 HG3 PRO A 44 18.663 17.369 -32.297 1.00 71.31 H new ATOM 0 HD2 PRO A 44 19.007 17.164 -29.603 1.00 32.30 H new ATOM 0 HD3 PRO A 44 19.032 18.718 -30.414 1.00 32.30 H new ATOM 658 N GLY A 45 15.641 15.990 -29.216 1.00 33.30 N ATOM 659 CA GLY A 45 14.873 14.847 -28.758 1.00 34.14 C ATOM 660 C GLY A 45 15.686 13.916 -27.879 1.00 55.55 C ATOM 661 O GLY A 45 15.691 12.703 -28.087 1.00 43.14 O ATOM 0 H GLY A 45 16.602 16.024 -28.877 1.00 33.30 H new ATOM 0 HA2 GLY A 45 14.002 15.197 -28.203 1.00 34.14 H new ATOM 0 HA3 GLY A 45 14.501 14.294 -29.621 1.00 34.14 H new ATOM 665 N ASP A 46 16.375 14.485 -26.897 1.00 11.33 N ATOM 666 CA ASP A 46 17.196 13.699 -25.984 1.00 20.52 C ATOM 667 C ASP A 46 16.653 13.776 -24.560 1.00 42.33 C ATOM 668 O ASP A 46 15.810 14.619 -24.252 1.00 5.33 O ATOM 669 CB ASP A 46 18.645 14.187 -26.018 1.00 21.23 C ATOM 670 CG ASP A 46 19.277 14.029 -27.387 1.00 2.43 C ATOM 671 OD1 ASP A 46 18.610 14.359 -28.390 1.00 62.10 O ATOM 672 OD2 ASP A 46 20.439 13.578 -27.455 1.00 21.53 O ATOM 0 H ASP A 46 16.381 15.488 -26.713 1.00 11.33 H new ATOM 0 HA ASP A 46 17.163 12.659 -26.310 1.00 20.52 H new ATOM 0 HB2 ASP A 46 18.679 15.236 -25.724 1.00 21.23 H new ATOM 0 HB3 ASP A 46 19.230 13.632 -25.285 1.00 21.23 H new ATOM 677 N TYR A 47 17.141 12.892 -23.698 1.00 34.43 N ATOM 678 CA TYR A 47 16.702 12.858 -22.308 1.00 31.44 C ATOM 679 C TYR A 47 17.892 12.959 -21.358 1.00 72.22 C ATOM 680 O TYR A 47 18.932 12.338 -21.579 1.00 12.21 O ATOM 681 CB TYR A 47 15.920 11.573 -22.029 1.00 25.42 C ATOM 682 CG TYR A 47 14.765 11.348 -22.978 1.00 41.30 C ATOM 683 CD1 TYR A 47 13.510 11.884 -22.715 1.00 63.24 C ATOM 684 CD2 TYR A 47 14.929 10.602 -24.138 1.00 71.44 C ATOM 685 CE1 TYR A 47 12.452 11.681 -23.580 1.00 31.35 C ATOM 686 CE2 TYR A 47 13.876 10.395 -25.009 1.00 65.41 C ATOM 687 CZ TYR A 47 12.640 10.936 -24.725 1.00 70.31 C ATOM 688 OH TYR A 47 11.588 10.732 -25.589 1.00 45.31 O ATOM 0 H TYR A 47 17.841 12.189 -23.937 1.00 34.43 H new ATOM 0 HA TYR A 47 16.051 13.716 -22.138 1.00 31.44 H new ATOM 0 HB2 TYR A 47 16.600 10.723 -22.090 1.00 25.42 H new ATOM 0 HB3 TYR A 47 15.540 11.604 -21.008 1.00 25.42 H new ATOM 0 HD1 TYR A 47 13.359 12.469 -21.820 1.00 63.24 H new ATOM 0 HD2 TYR A 47 15.896 10.176 -24.363 1.00 71.44 H new ATOM 0 HE1 TYR A 47 11.483 12.104 -23.361 1.00 31.35 H new ATOM 0 HE2 TYR A 47 14.021 9.813 -25.907 1.00 65.41 H new ATOM 0 HH TYR A 47 11.888 10.188 -26.347 1.00 45.31 H new ATOM 698 N VAL A 48 17.730 13.746 -20.299 1.00 62.12 N ATOM 699 CA VAL A 48 18.789 13.928 -19.314 1.00 1.43 C ATOM 700 C VAL A 48 18.500 13.137 -18.043 1.00 73.12 C ATOM 701 O VAL A 48 17.397 13.198 -17.498 1.00 72.11 O ATOM 702 CB VAL A 48 18.967 15.414 -18.950 1.00 44.41 C ATOM 703 CG1 VAL A 48 20.021 15.576 -17.865 1.00 44.23 C ATOM 704 CG2 VAL A 48 19.333 16.224 -20.185 1.00 13.42 C ATOM 0 H VAL A 48 16.876 14.267 -20.102 1.00 62.12 H new ATOM 0 HA VAL A 48 19.709 13.559 -19.767 1.00 1.43 H new ATOM 0 HB VAL A 48 18.021 15.791 -18.563 1.00 44.41 H new ATOM 0 HG11 VAL A 48 20.133 16.632 -17.621 1.00 44.23 H new ATOM 0 HG12 VAL A 48 19.713 15.029 -16.974 1.00 44.23 H new ATOM 0 HG13 VAL A 48 20.973 15.183 -18.221 1.00 44.23 H new ATOM 0 HG21 VAL A 48 19.455 17.272 -19.910 1.00 13.42 H new ATOM 0 HG22 VAL A 48 20.266 15.848 -20.604 1.00 13.42 H new ATOM 0 HG23 VAL A 48 18.540 16.134 -20.927 1.00 13.42 H new ATOM 714 N LEU A 49 19.497 12.394 -17.576 1.00 10.24 N ATOM 715 CA LEU A 49 19.351 11.590 -16.367 1.00 74.25 C ATOM 716 C LEU A 49 20.215 12.141 -15.238 1.00 64.33 C ATOM 717 O LEU A 49 21.423 12.316 -15.397 1.00 44.11 O ATOM 718 CB LEU A 49 19.728 10.135 -16.651 1.00 62.21 C ATOM 719 CG LEU A 49 19.901 9.235 -15.427 1.00 15.23 C ATOM 720 CD1 LEU A 49 18.567 9.028 -14.725 1.00 24.21 C ATOM 721 CD2 LEU A 49 20.508 7.899 -15.828 1.00 33.21 C ATOM 0 H LEU A 49 20.415 12.331 -18.016 1.00 10.24 H new ATOM 0 HA LEU A 49 18.308 11.634 -16.054 1.00 74.25 H new ATOM 0 HB2 LEU A 49 18.960 9.700 -17.291 1.00 62.21 H new ATOM 0 HB3 LEU A 49 20.659 10.126 -17.218 1.00 62.21 H new ATOM 0 HG LEU A 49 20.582 9.726 -14.732 1.00 15.23 H new ATOM 0 HD11 LEU A 49 18.709 8.385 -13.856 1.00 24.21 H new ATOM 0 HD12 LEU A 49 18.172 9.991 -14.403 1.00 24.21 H new ATOM 0 HD13 LEU A 49 17.863 8.559 -15.412 1.00 24.21 H new ATOM 0 HD21 LEU A 49 20.624 7.272 -14.944 1.00 33.21 H new ATOM 0 HD22 LEU A 49 19.852 7.401 -16.543 1.00 33.21 H new ATOM 0 HD23 LEU A 49 21.483 8.065 -16.285 1.00 33.21 H new ATOM 733 N SER A 50 19.589 12.410 -14.097 1.00 72.13 N ATOM 734 CA SER A 50 20.301 12.942 -12.941 1.00 52.35 C ATOM 735 C SER A 50 20.440 11.882 -11.853 1.00 54.12 C ATOM 736 O SER A 50 19.477 11.192 -11.516 1.00 45.01 O ATOM 737 CB SER A 50 19.571 14.167 -12.386 1.00 60.11 C ATOM 738 OG SER A 50 20.481 15.076 -11.792 1.00 14.45 O ATOM 0 H SER A 50 18.590 12.268 -13.948 1.00 72.13 H new ATOM 0 HA SER A 50 21.299 13.238 -13.264 1.00 52.35 H new ATOM 0 HB2 SER A 50 19.027 14.665 -13.189 1.00 60.11 H new ATOM 0 HB3 SER A 50 18.833 13.852 -11.648 1.00 60.11 H new ATOM 0 HG SER A 50 19.991 15.851 -11.446 1.00 14.45 H new ATOM 744 N VAL A 51 21.645 11.758 -11.307 1.00 1.21 N ATOM 745 CA VAL A 51 21.912 10.783 -10.256 1.00 14.41 C ATOM 746 C VAL A 51 22.484 11.457 -9.014 1.00 11.12 C ATOM 747 O VAL A 51 23.347 12.330 -9.110 1.00 74.12 O ATOM 748 CB VAL A 51 22.892 9.696 -10.734 1.00 72.04 C ATOM 749 CG1 VAL A 51 22.532 9.233 -12.138 1.00 23.10 C ATOM 750 CG2 VAL A 51 24.323 10.210 -10.684 1.00 32.53 C ATOM 0 H VAL A 51 22.452 12.321 -11.575 1.00 1.21 H new ATOM 0 HA VAL A 51 20.958 10.317 -10.007 1.00 14.41 H new ATOM 0 HB VAL A 51 22.814 8.840 -10.064 1.00 72.04 H new ATOM 0 HG11 VAL A 51 23.235 8.465 -12.459 1.00 23.10 H new ATOM 0 HG12 VAL A 51 21.522 8.823 -12.138 1.00 23.10 H new ATOM 0 HG13 VAL A 51 22.580 10.079 -12.824 1.00 23.10 H new ATOM 0 HG21 VAL A 51 25.002 9.429 -11.025 1.00 32.53 H new ATOM 0 HG22 VAL A 51 24.419 11.082 -11.331 1.00 32.53 H new ATOM 0 HG23 VAL A 51 24.574 10.488 -9.660 1.00 32.53 H new ATOM 760 N SER A 52 21.998 11.045 -7.847 1.00 41.50 N ATOM 761 CA SER A 52 22.459 11.612 -6.585 1.00 31.44 C ATOM 762 C SER A 52 23.365 10.630 -5.848 1.00 4.21 C ATOM 763 O SER A 52 23.071 9.438 -5.767 1.00 52.21 O ATOM 764 CB SER A 52 21.266 11.982 -5.702 1.00 14.31 C ATOM 765 OG SER A 52 20.659 10.826 -5.152 1.00 70.42 O ATOM 0 H SER A 52 21.286 10.321 -7.749 1.00 41.50 H new ATOM 0 HA SER A 52 23.031 12.513 -6.807 1.00 31.44 H new ATOM 0 HB2 SER A 52 21.595 12.641 -4.898 1.00 14.31 H new ATOM 0 HB3 SER A 52 20.534 12.537 -6.289 1.00 14.31 H new ATOM 0 HG SER A 52 19.854 10.603 -5.665 1.00 70.42 H new ATOM 771 N GLU A 53 24.470 11.142 -5.313 1.00 34.44 N ATOM 772 CA GLU A 53 25.420 10.310 -4.583 1.00 51.32 C ATOM 773 C GLU A 53 26.330 11.166 -3.707 1.00 24.32 C ATOM 774 O GLU A 53 26.613 12.319 -4.027 1.00 54.33 O ATOM 775 CB GLU A 53 26.262 9.484 -5.558 1.00 35.10 C ATOM 776 CG GLU A 53 27.292 8.600 -4.875 1.00 14.12 C ATOM 777 CD GLU A 53 28.540 8.404 -5.713 1.00 0.41 C ATOM 778 OE1 GLU A 53 28.802 9.249 -6.594 1.00 42.22 O ATOM 779 OE2 GLU A 53 29.255 7.406 -5.487 1.00 20.43 O ATOM 0 H GLU A 53 24.729 12.127 -5.371 1.00 34.44 H new ATOM 0 HA GLU A 53 24.855 9.635 -3.940 1.00 51.32 H new ATOM 0 HB2 GLU A 53 25.600 8.859 -6.158 1.00 35.10 H new ATOM 0 HB3 GLU A 53 26.773 10.158 -6.245 1.00 35.10 H new ATOM 0 HG2 GLU A 53 27.568 9.043 -3.918 1.00 14.12 H new ATOM 0 HG3 GLU A 53 26.847 7.629 -4.661 1.00 14.12 H new ATOM 786 N ASN A 54 26.786 10.590 -2.599 1.00 11.54 N ATOM 787 CA ASN A 54 27.663 11.300 -1.675 1.00 24.24 C ATOM 788 C ASN A 54 27.281 12.774 -1.585 1.00 3.13 C ATOM 789 O ASN A 54 28.146 13.650 -1.567 1.00 11.03 O ATOM 790 CB ASN A 54 29.121 11.165 -2.118 1.00 45.45 C ATOM 791 CG ASN A 54 29.339 11.644 -3.541 1.00 61.51 C ATOM 792 OD1 ASN A 54 29.095 12.807 -3.861 1.00 75.10 O ATOM 793 ND2 ASN A 54 29.801 10.745 -4.403 1.00 20.01 N ATOM 0 H ASN A 54 26.563 9.635 -2.320 1.00 11.54 H new ATOM 0 HA ASN A 54 27.547 10.853 -0.688 1.00 24.24 H new ATOM 0 HB2 ASN A 54 29.758 11.737 -1.443 1.00 45.45 H new ATOM 0 HB3 ASN A 54 29.427 10.122 -2.037 1.00 45.45 H new ATOM 0 HD21 ASN A 54 29.967 11.008 -5.374 1.00 20.01 H new ATOM 0 HD22 ASN A 54 29.989 9.792 -4.094 1.00 20.01 H new ATOM 800 N SER A 55 25.980 13.040 -1.528 1.00 42.11 N ATOM 801 CA SER A 55 25.483 14.408 -1.443 1.00 52.22 C ATOM 802 C SER A 55 25.844 15.196 -2.699 1.00 1.55 C ATOM 803 O SER A 55 26.256 16.354 -2.621 1.00 13.22 O ATOM 804 CB SER A 55 26.054 15.105 -0.207 1.00 44.53 C ATOM 805 OG SER A 55 25.607 14.481 0.983 1.00 13.04 O ATOM 0 H SER A 55 25.251 12.326 -1.539 1.00 42.11 H new ATOM 0 HA SER A 55 24.397 14.369 -1.359 1.00 52.22 H new ATOM 0 HB2 SER A 55 27.143 15.084 -0.245 1.00 44.53 H new ATOM 0 HB3 SER A 55 25.755 16.153 -0.206 1.00 44.53 H new ATOM 0 HG SER A 55 25.988 14.944 1.758 1.00 13.04 H new ATOM 811 N ARG A 56 25.687 14.560 -3.855 1.00 1.23 N ATOM 812 CA ARG A 56 25.998 15.200 -5.127 1.00 54.33 C ATOM 813 C ARG A 56 24.882 14.963 -6.142 1.00 5.15 C ATOM 814 O ARG A 56 23.869 14.337 -5.831 1.00 21.12 O ATOM 815 CB ARG A 56 27.323 14.672 -5.678 1.00 64.01 C ATOM 816 CG ARG A 56 28.546 15.304 -5.033 1.00 31.33 C ATOM 817 CD ARG A 56 28.752 16.733 -5.509 1.00 54.03 C ATOM 818 NE ARG A 56 29.477 16.789 -6.775 1.00 65.23 N ATOM 819 CZ ARG A 56 29.617 17.897 -7.494 1.00 4.20 C ATOM 820 NH1 ARG A 56 29.084 19.036 -7.073 1.00 63.22 N ATOM 821 NH2 ARG A 56 30.292 17.868 -8.636 1.00 44.00 N ATOM 0 H ARG A 56 25.346 13.602 -3.937 1.00 1.23 H new ATOM 0 HA ARG A 56 26.087 16.272 -4.953 1.00 54.33 H new ATOM 0 HB2 ARG A 56 27.363 13.593 -5.532 1.00 64.01 H new ATOM 0 HB3 ARG A 56 27.357 14.850 -6.753 1.00 64.01 H new ATOM 0 HG2 ARG A 56 28.433 15.293 -3.949 1.00 31.33 H new ATOM 0 HG3 ARG A 56 29.430 14.710 -5.267 1.00 31.33 H new ATOM 0 HD2 ARG A 56 27.784 17.220 -5.624 1.00 54.03 H new ATOM 0 HD3 ARG A 56 29.302 17.292 -4.751 1.00 54.03 H new ATOM 0 HE ARG A 56 29.899 15.930 -7.127 1.00 65.23 H new ATOM 0 HH11 ARG A 56 28.565 19.063 -6.195 1.00 63.22 H new ATOM 0 HH12 ARG A 56 29.193 19.886 -7.627 1.00 63.22 H new ATOM 0 HH21 ARG A 56 30.704 16.994 -8.963 1.00 44.00 H new ATOM 0 HH22 ARG A 56 30.399 18.720 -9.187 1.00 44.00 H new ATOM 835 N VAL A 57 25.076 15.468 -7.356 1.00 5.33 N ATOM 836 CA VAL A 57 24.088 15.311 -8.416 1.00 1.20 C ATOM 837 C VAL A 57 24.744 15.367 -9.791 1.00 52.12 C ATOM 838 O VAL A 57 25.124 16.437 -10.266 1.00 53.31 O ATOM 839 CB VAL A 57 22.999 16.398 -8.334 1.00 25.30 C ATOM 840 CG1 VAL A 57 22.039 16.281 -9.507 1.00 72.05 C ATOM 841 CG2 VAL A 57 22.253 16.305 -7.012 1.00 31.42 C ATOM 0 H VAL A 57 25.909 15.989 -7.630 1.00 5.33 H new ATOM 0 HA VAL A 57 23.626 14.334 -8.276 1.00 1.20 H new ATOM 0 HB VAL A 57 23.480 17.375 -8.386 1.00 25.30 H new ATOM 0 HG11 VAL A 57 21.277 17.057 -9.432 1.00 72.05 H new ATOM 0 HG12 VAL A 57 22.589 16.401 -10.440 1.00 72.05 H new ATOM 0 HG13 VAL A 57 21.562 15.301 -9.490 1.00 72.05 H new ATOM 0 HG21 VAL A 57 21.488 17.080 -6.971 1.00 31.42 H new ATOM 0 HG22 VAL A 57 21.782 15.325 -6.928 1.00 31.42 H new ATOM 0 HG23 VAL A 57 22.954 16.443 -6.188 1.00 31.42 H new ATOM 851 N SER A 58 24.873 14.207 -10.427 1.00 21.24 N ATOM 852 CA SER A 58 25.486 14.123 -11.747 1.00 62.40 C ATOM 853 C SER A 58 24.421 14.035 -12.836 1.00 2.21 C ATOM 854 O SER A 58 23.363 13.436 -12.639 1.00 43.22 O ATOM 855 CB SER A 58 26.413 12.908 -11.826 1.00 21.13 C ATOM 856 OG SER A 58 27.742 13.257 -11.480 1.00 42.41 O ATOM 0 H SER A 58 24.561 13.312 -10.049 1.00 21.24 H new ATOM 0 HA SER A 58 26.071 15.029 -11.907 1.00 62.40 H new ATOM 0 HB2 SER A 58 26.053 12.127 -11.156 1.00 21.13 H new ATOM 0 HB3 SER A 58 26.393 12.496 -12.835 1.00 21.13 H new ATOM 0 HG SER A 58 28.314 12.463 -11.537 1.00 42.41 H new ATOM 862 N HIS A 59 24.709 14.637 -13.986 1.00 15.33 N ATOM 863 CA HIS A 59 23.776 14.628 -15.108 1.00 23.25 C ATOM 864 C HIS A 59 24.367 13.878 -16.298 1.00 14.00 C ATOM 865 O HIS A 59 25.526 14.082 -16.660 1.00 33.22 O ATOM 866 CB HIS A 59 23.422 16.058 -15.516 1.00 11.05 C ATOM 867 CG HIS A 59 24.592 16.844 -16.021 1.00 2.21 C ATOM 868 ND1 HIS A 59 25.516 17.438 -15.187 1.00 43.14 N ATOM 869 CD2 HIS A 59 24.987 17.131 -17.283 1.00 42.33 C ATOM 870 CE1 HIS A 59 26.428 18.058 -15.915 1.00 60.12 C ATOM 871 NE2 HIS A 59 26.130 17.887 -17.191 1.00 22.45 N ATOM 0 H HIS A 59 25.580 15.137 -14.165 1.00 15.33 H new ATOM 0 HA HIS A 59 22.868 14.114 -14.791 1.00 23.25 H new ATOM 0 HB2 HIS A 59 22.655 16.027 -16.290 1.00 11.05 H new ATOM 0 HB3 HIS A 59 22.990 16.575 -14.659 1.00 11.05 H new ATOM 0 HD2 HIS A 59 24.495 16.823 -18.194 1.00 42.33 H new ATOM 0 HE1 HIS A 59 27.273 18.611 -15.532 1.00 60.12 H new ATOM 0 HE2 HIS A 59 26.662 18.256 -17.979 1.00 22.45 H new ATOM 879 N TYR A 60 23.563 13.010 -16.902 1.00 55.30 N ATOM 880 CA TYR A 60 24.006 12.228 -18.049 1.00 63.25 C ATOM 881 C TYR A 60 23.010 12.335 -19.200 1.00 45.43 C ATOM 882 O TYR A 60 21.815 12.100 -19.025 1.00 34.12 O ATOM 883 CB TYR A 60 24.189 10.762 -17.654 1.00 31.43 C ATOM 884 CG TYR A 60 25.172 10.557 -16.524 1.00 5.44 C ATOM 885 CD1 TYR A 60 26.520 10.855 -16.687 1.00 32.25 C ATOM 886 CD2 TYR A 60 24.754 10.068 -15.292 1.00 71.13 C ATOM 887 CE1 TYR A 60 27.422 10.669 -15.657 1.00 11.00 C ATOM 888 CE2 TYR A 60 25.649 9.880 -14.257 1.00 12.34 C ATOM 889 CZ TYR A 60 26.982 10.182 -14.444 1.00 34.10 C ATOM 890 OH TYR A 60 27.877 9.997 -13.415 1.00 72.35 O ATOM 0 H TYR A 60 22.601 12.830 -16.616 1.00 55.30 H new ATOM 0 HA TYR A 60 24.963 12.630 -18.382 1.00 63.25 H new ATOM 0 HB2 TYR A 60 23.223 10.350 -17.363 1.00 31.43 H new ATOM 0 HB3 TYR A 60 24.527 10.199 -18.524 1.00 31.43 H new ATOM 0 HD1 TYR A 60 26.868 11.238 -17.635 1.00 32.25 H new ATOM 0 HD2 TYR A 60 23.711 9.831 -15.141 1.00 71.13 H new ATOM 0 HE1 TYR A 60 28.466 10.904 -15.801 1.00 11.00 H new ATOM 0 HE2 TYR A 60 25.307 9.499 -13.306 1.00 12.34 H new ATOM 0 HH TYR A 60 27.405 9.649 -12.630 1.00 72.35 H new ATOM 900 N ILE A 61 23.513 12.692 -20.377 1.00 61.04 N ATOM 901 CA ILE A 61 22.669 12.829 -21.558 1.00 1.21 C ATOM 902 C ILE A 61 22.474 11.486 -22.253 1.00 41.24 C ATOM 903 O ILE A 61 23.440 10.778 -22.540 1.00 1.25 O ATOM 904 CB ILE A 61 23.265 13.833 -22.562 1.00 40.14 C ATOM 905 CG1 ILE A 61 23.295 15.238 -21.956 1.00 70.41 C ATOM 906 CG2 ILE A 61 22.465 13.826 -23.856 1.00 70.24 C ATOM 907 CD1 ILE A 61 21.952 15.700 -21.435 1.00 61.25 C ATOM 0 H ILE A 61 24.500 12.892 -20.538 1.00 61.04 H new ATOM 0 HA ILE A 61 21.704 13.201 -21.215 1.00 1.21 H new ATOM 0 HB ILE A 61 24.288 13.533 -22.788 1.00 40.14 H new ATOM 0 HG12 ILE A 61 24.018 15.258 -21.141 1.00 70.41 H new ATOM 0 HG13 ILE A 61 23.645 15.943 -22.710 1.00 70.41 H new ATOM 0 HG21 ILE A 61 22.898 14.541 -24.556 1.00 70.24 H new ATOM 0 HG22 ILE A 61 22.490 12.828 -24.294 1.00 70.24 H new ATOM 0 HG23 ILE A 61 21.432 14.104 -23.647 1.00 70.24 H new ATOM 0 HD11 ILE A 61 22.048 16.703 -21.020 1.00 61.25 H new ATOM 0 HD12 ILE A 61 21.230 15.713 -22.251 1.00 61.25 H new ATOM 0 HD13 ILE A 61 21.609 15.017 -20.658 1.00 61.25 H new ATOM 919 N ILE A 62 21.219 11.143 -22.524 1.00 4.01 N ATOM 920 CA ILE A 62 20.898 9.886 -23.189 1.00 1.31 C ATOM 921 C ILE A 62 20.464 10.123 -24.631 1.00 74.03 C ATOM 922 O ILE A 62 19.524 10.874 -24.892 1.00 24.41 O ATOM 923 CB ILE A 62 19.783 9.126 -22.447 1.00 22.21 C ATOM 924 CG1 ILE A 62 20.246 8.744 -21.039 1.00 71.14 C ATOM 925 CG2 ILE A 62 19.375 7.887 -23.230 1.00 41.24 C ATOM 926 CD1 ILE A 62 19.873 9.761 -19.984 1.00 13.21 C ATOM 0 H ILE A 62 20.408 11.718 -22.293 1.00 4.01 H new ATOM 0 HA ILE A 62 21.806 9.283 -23.180 1.00 1.31 H new ATOM 0 HB ILE A 62 18.915 9.779 -22.359 1.00 22.21 H new ATOM 0 HG12 ILE A 62 19.813 7.780 -20.772 1.00 71.14 H new ATOM 0 HG13 ILE A 62 21.329 8.617 -21.043 1.00 71.14 H new ATOM 0 HG21 ILE A 62 18.586 7.360 -22.693 1.00 41.24 H new ATOM 0 HG22 ILE A 62 19.010 8.182 -24.214 1.00 41.24 H new ATOM 0 HG23 ILE A 62 20.237 7.229 -23.345 1.00 41.24 H new ATOM 0 HD11 ILE A 62 20.233 9.425 -19.011 1.00 13.21 H new ATOM 0 HD12 ILE A 62 20.328 10.721 -20.227 1.00 13.21 H new ATOM 0 HD13 ILE A 62 18.789 9.871 -19.952 1.00 13.21 H new ATOM 938 N ASN A 63 21.153 9.476 -25.565 1.00 61.50 N ATOM 939 CA ASN A 63 20.838 9.614 -26.982 1.00 54.41 C ATOM 940 C ASN A 63 19.850 8.540 -27.427 1.00 41.14 C ATOM 941 O ASN A 63 19.954 7.381 -27.025 1.00 44.43 O ATOM 942 CB ASN A 63 22.114 9.529 -27.821 1.00 23.51 C ATOM 943 CG ASN A 63 22.907 10.821 -27.801 1.00 41.21 C ATOM 944 OD1 ASN A 63 23.400 11.276 -28.834 1.00 14.24 O ATOM 945 ND2 ASN A 63 23.034 11.419 -26.622 1.00 41.23 N ATOM 0 H ASN A 63 21.934 8.850 -25.366 1.00 61.50 H new ATOM 0 HA ASN A 63 20.378 10.590 -27.132 1.00 54.41 H new ATOM 0 HB2 ASN A 63 22.738 8.717 -27.447 1.00 23.51 H new ATOM 0 HB3 ASN A 63 21.853 9.282 -28.850 1.00 23.51 H new ATOM 0 HD21 ASN A 63 23.557 12.291 -26.546 1.00 41.23 H new ATOM 0 HD22 ASN A 63 22.609 11.006 -25.792 1.00 41.23 H new ATOM 952 N SER A 64 18.892 8.933 -28.261 1.00 1.43 N ATOM 953 CA SER A 64 17.884 8.005 -28.759 1.00 15.44 C ATOM 954 C SER A 64 17.788 8.072 -30.280 1.00 32.02 C ATOM 955 O SER A 64 16.863 8.671 -30.829 1.00 21.20 O ATOM 956 CB SER A 64 16.521 8.318 -28.136 1.00 62.44 C ATOM 957 OG SER A 64 16.108 9.637 -28.448 1.00 65.12 O ATOM 0 H SER A 64 18.793 9.888 -28.606 1.00 1.43 H new ATOM 0 HA SER A 64 18.183 6.996 -28.476 1.00 15.44 H new ATOM 0 HB2 SER A 64 15.780 7.606 -28.499 1.00 62.44 H new ATOM 0 HB3 SER A 64 16.576 8.197 -27.054 1.00 62.44 H new ATOM 0 HG SER A 64 16.098 9.755 -29.421 1.00 65.12 H new ATOM 963 N SER A 65 18.751 7.452 -30.955 1.00 12.43 N ATOM 964 CA SER A 65 18.779 7.444 -32.413 1.00 35.24 C ATOM 965 C SER A 65 17.368 7.327 -32.982 1.00 51.41 C ATOM 966 O SER A 65 16.884 8.232 -33.661 1.00 14.14 O ATOM 967 CB SER A 65 19.643 6.288 -32.921 1.00 12.05 C ATOM 968 OG SER A 65 20.216 6.595 -34.180 1.00 21.14 O ATOM 0 H SER A 65 19.522 6.949 -30.516 1.00 12.43 H new ATOM 0 HA SER A 65 19.211 8.386 -32.749 1.00 35.24 H new ATOM 0 HB2 SER A 65 20.433 6.076 -32.200 1.00 12.05 H new ATOM 0 HB3 SER A 65 19.037 5.386 -33.004 1.00 12.05 H new ATOM 0 HG SER A 65 20.765 5.841 -34.482 1.00 21.14 H new ATOM 974 N GLY A 66 16.713 6.205 -32.700 1.00 63.23 N ATOM 975 CA GLY A 66 15.365 5.989 -33.192 1.00 11.14 C ATOM 976 C GLY A 66 15.131 6.631 -34.545 1.00 2.13 C ATOM 977 O GLY A 66 14.326 7.551 -34.688 1.00 75.14 O ATOM 0 H GLY A 66 17.092 5.442 -32.140 1.00 63.23 H new ATOM 0 HA2 GLY A 66 15.175 4.918 -33.264 1.00 11.14 H new ATOM 0 HA3 GLY A 66 14.651 6.392 -32.474 1.00 11.14 H new ATOM 981 N PRO A 67 15.849 6.143 -35.567 1.00 42.43 N ATOM 982 CA PRO A 67 15.734 6.662 -36.934 1.00 21.14 C ATOM 983 C PRO A 67 14.397 6.310 -37.577 1.00 11.15 C ATOM 984 O PRO A 67 14.157 5.159 -37.943 1.00 44.40 O ATOM 985 CB PRO A 67 16.882 5.970 -37.673 1.00 73.14 C ATOM 986 CG PRO A 67 17.127 4.718 -36.905 1.00 23.42 C ATOM 987 CD PRO A 67 16.828 5.048 -35.469 1.00 21.23 C ATOM 0 HA PRO A 67 15.785 7.750 -36.963 1.00 21.14 H new ATOM 0 HB2 PRO A 67 16.614 5.754 -38.707 1.00 73.14 H new ATOM 0 HB3 PRO A 67 17.772 6.599 -37.699 1.00 73.14 H new ATOM 0 HG2 PRO A 67 16.488 3.910 -37.261 1.00 23.42 H new ATOM 0 HG3 PRO A 67 18.158 4.384 -37.022 1.00 23.42 H new ATOM 0 HD2 PRO A 67 16.419 4.190 -34.936 1.00 21.23 H new ATOM 0 HD3 PRO A 67 17.725 5.358 -34.933 1.00 21.23 H new ATOM 995 N ARG A 68 13.529 7.308 -37.711 1.00 24.22 N ATOM 996 CA ARG A 68 12.216 7.103 -38.309 1.00 72.21 C ATOM 997 C ARG A 68 12.343 6.507 -39.708 1.00 54.12 C ATOM 998 O ARG A 68 11.836 5.423 -39.996 1.00 72.41 O ATOM 999 CB ARG A 68 11.449 8.425 -38.374 1.00 3.12 C ATOM 1000 CG ARG A 68 10.501 8.522 -39.558 1.00 0.13 C ATOM 1001 CD ARG A 68 9.194 7.793 -39.286 1.00 44.11 C ATOM 1002 NE ARG A 68 8.298 7.828 -40.439 1.00 24.11 N ATOM 1003 CZ ARG A 68 6.978 7.717 -40.347 1.00 11.12 C ATOM 1004 NH1 ARG A 68 6.403 7.566 -39.162 1.00 30.23 N ATOM 1005 NH2 ARG A 68 6.229 7.758 -41.442 1.00 5.22 N ATOM 0 H ARG A 68 13.712 8.266 -37.413 1.00 24.22 H new ATOM 0 HA ARG A 68 11.665 6.402 -37.682 1.00 72.21 H new ATOM 0 HB2 ARG A 68 10.880 8.551 -37.453 1.00 3.12 H new ATOM 0 HB3 ARG A 68 12.163 9.247 -38.423 1.00 3.12 H new ATOM 0 HG2 ARG A 68 10.296 9.570 -39.776 1.00 0.13 H new ATOM 0 HG3 ARG A 68 10.977 8.099 -40.443 1.00 0.13 H new ATOM 0 HD2 ARG A 68 9.405 6.757 -39.022 1.00 44.11 H new ATOM 0 HD3 ARG A 68 8.698 8.246 -38.428 1.00 44.11 H new ATOM 0 HE ARG A 68 8.709 7.944 -41.365 1.00 24.11 H new ATOM 0 HH11 ARG A 68 6.975 7.535 -38.318 1.00 30.23 H new ATOM 0 HH12 ARG A 68 5.389 7.481 -39.094 1.00 30.23 H new ATOM 0 HH21 ARG A 68 6.667 7.875 -42.356 1.00 5.22 H new ATOM 0 HH22 ARG A 68 5.215 7.673 -41.370 1.00 5.22 H new ATOM 1019 N PRO A 69 13.035 7.232 -40.600 1.00 34.23 N ATOM 1020 CA PRO A 69 13.244 6.795 -41.983 1.00 62.12 C ATOM 1021 C PRO A 69 14.186 5.599 -42.077 1.00 41.41 C ATOM 1022 O PRO A 69 15.280 5.594 -41.512 1.00 40.53 O ATOM 1023 CB PRO A 69 13.869 8.022 -42.652 1.00 22.21 C ATOM 1024 CG PRO A 69 14.522 8.768 -41.540 1.00 13.11 C ATOM 1025 CD PRO A 69 13.666 8.534 -40.326 1.00 23.53 C ATOM 0 HA PRO A 69 12.317 6.464 -42.450 1.00 62.12 H new ATOM 0 HB2 PRO A 69 14.593 7.732 -43.413 1.00 22.21 H new ATOM 0 HB3 PRO A 69 13.113 8.631 -43.147 1.00 22.21 H new ATOM 0 HG2 PRO A 69 15.539 8.412 -41.375 1.00 13.11 H new ATOM 0 HG3 PRO A 69 14.590 9.831 -41.770 1.00 13.11 H new ATOM 0 HD2 PRO A 69 14.261 8.508 -39.413 1.00 23.53 H new ATOM 0 HD3 PRO A 69 12.923 9.322 -40.200 1.00 23.53 H new ATOM 1033 N PRO A 70 13.754 4.561 -42.808 1.00 22.33 N ATOM 1034 CA PRO A 70 14.545 3.340 -42.993 1.00 51.45 C ATOM 1035 C PRO A 70 15.772 3.572 -43.869 1.00 54.11 C ATOM 1036 O PRO A 70 15.727 4.348 -44.824 1.00 65.32 O ATOM 1037 CB PRO A 70 13.567 2.386 -43.684 1.00 44.12 C ATOM 1038 CG PRO A 70 12.594 3.277 -44.376 1.00 71.51 C ATOM 1039 CD PRO A 70 12.461 4.498 -43.509 1.00 31.20 C ATOM 0 HA PRO A 70 14.937 2.961 -42.049 1.00 51.45 H new ATOM 0 HB2 PRO A 70 14.081 1.736 -44.392 1.00 44.12 H new ATOM 0 HB3 PRO A 70 13.068 1.739 -42.962 1.00 44.12 H new ATOM 0 HG2 PRO A 70 12.948 3.542 -45.372 1.00 71.51 H new ATOM 0 HG3 PRO A 70 11.632 2.781 -44.502 1.00 71.51 H new ATOM 0 HD2 PRO A 70 12.282 5.395 -44.102 1.00 31.20 H new ATOM 0 HD3 PRO A 70 11.629 4.406 -42.811 1.00 31.20 H new ATOM 1047 N VAL A 71 16.866 2.894 -43.538 1.00 1.41 N ATOM 1048 CA VAL A 71 18.105 3.025 -44.295 1.00 50.44 C ATOM 1049 C VAL A 71 18.814 1.682 -44.426 1.00 10.21 C ATOM 1050 O VAL A 71 19.424 1.180 -43.482 1.00 20.32 O ATOM 1051 CB VAL A 71 19.062 4.037 -43.636 1.00 73.40 C ATOM 1052 CG1 VAL A 71 18.534 5.454 -43.797 1.00 2.21 C ATOM 1053 CG2 VAL A 71 19.264 3.698 -42.167 1.00 24.20 C ATOM 0 H VAL A 71 16.919 2.248 -42.750 1.00 1.41 H new ATOM 0 HA VAL A 71 17.833 3.387 -45.287 1.00 50.44 H new ATOM 0 HB VAL A 71 20.029 3.977 -44.136 1.00 73.40 H new ATOM 0 HG11 VAL A 71 19.223 6.155 -43.325 1.00 2.21 H new ATOM 0 HG12 VAL A 71 18.445 5.691 -44.857 1.00 2.21 H new ATOM 0 HG13 VAL A 71 17.555 5.534 -43.324 1.00 2.21 H new ATOM 0 HG21 VAL A 71 19.943 4.422 -41.716 1.00 24.20 H new ATOM 0 HG22 VAL A 71 18.304 3.730 -41.651 1.00 24.20 H new ATOM 0 HG23 VAL A 71 19.690 2.699 -42.079 1.00 24.20 H new ATOM 1063 N PRO A 72 18.734 1.085 -45.624 1.00 71.22 N ATOM 1064 CA PRO A 72 19.363 -0.208 -45.908 1.00 21.54 C ATOM 1065 C PRO A 72 20.885 -0.117 -45.946 1.00 13.22 C ATOM 1066 O PRO A 72 21.461 0.803 -46.527 1.00 11.23 O ATOM 1067 CB PRO A 72 18.815 -0.575 -47.289 1.00 54.40 C ATOM 1068 CG PRO A 72 18.469 0.731 -47.918 1.00 2.13 C ATOM 1069 CD PRO A 72 18.023 1.626 -46.795 1.00 3.32 C ATOM 0 HA PRO A 72 19.142 -0.946 -45.137 1.00 21.54 H new ATOM 0 HB2 PRO A 72 19.556 -1.114 -47.879 1.00 54.40 H new ATOM 0 HB3 PRO A 72 17.940 -1.220 -47.209 1.00 54.40 H new ATOM 0 HG2 PRO A 72 19.329 1.155 -48.436 1.00 2.13 H new ATOM 0 HG3 PRO A 72 17.678 0.610 -48.658 1.00 2.13 H new ATOM 0 HD2 PRO A 72 18.289 2.667 -46.981 1.00 3.32 H new ATOM 0 HD3 PRO A 72 16.942 1.592 -46.660 1.00 3.32 H new ATOM 1077 N PRO A 73 21.553 -1.092 -45.313 1.00 62.51 N ATOM 1078 CA PRO A 73 23.017 -1.144 -45.262 1.00 23.33 C ATOM 1079 C PRO A 73 23.634 -1.467 -46.618 1.00 70.43 C ATOM 1080 O PRO A 73 24.828 -1.261 -46.833 1.00 24.22 O ATOM 1081 CB PRO A 73 23.298 -2.272 -44.265 1.00 15.42 C ATOM 1082 CG PRO A 73 22.089 -3.140 -44.326 1.00 32.33 C ATOM 1083 CD PRO A 73 20.931 -2.221 -44.600 1.00 2.43 C ATOM 0 HA PRO A 73 23.448 -0.185 -44.975 1.00 23.33 H new ATOM 0 HB2 PRO A 73 24.197 -2.825 -44.536 1.00 15.42 H new ATOM 0 HB3 PRO A 73 23.455 -1.882 -43.259 1.00 15.42 H new ATOM 0 HG2 PRO A 73 22.186 -3.890 -45.111 1.00 32.33 H new ATOM 0 HG3 PRO A 73 21.947 -3.677 -43.388 1.00 32.33 H new ATOM 0 HD2 PRO A 73 20.167 -2.707 -45.206 1.00 2.43 H new ATOM 0 HD3 PRO A 73 20.448 -1.897 -43.678 1.00 2.43 H new ATOM 1091 N SER A 74 22.812 -1.974 -47.531 1.00 73.43 N ATOM 1092 CA SER A 74 23.278 -2.329 -48.867 1.00 33.12 C ATOM 1093 C SER A 74 22.943 -1.229 -49.869 1.00 41.50 C ATOM 1094 O SER A 74 22.014 -0.443 -49.680 1.00 70.12 O ATOM 1095 CB SER A 74 22.650 -3.650 -49.315 1.00 20.53 C ATOM 1096 OG SER A 74 21.241 -3.623 -49.164 1.00 3.04 O ATOM 0 H SER A 74 21.820 -2.148 -47.370 1.00 73.43 H new ATOM 0 HA SER A 74 24.361 -2.444 -48.828 1.00 33.12 H new ATOM 0 HB2 SER A 74 22.903 -3.841 -50.358 1.00 20.53 H new ATOM 0 HB3 SER A 74 23.066 -4.471 -48.730 1.00 20.53 H new ATOM 0 HG SER A 74 20.952 -4.407 -48.651 1.00 3.04 H new ATOM 1102 N PRO A 75 23.718 -1.169 -50.962 1.00 25.01 N ATOM 1103 CA PRO A 75 23.524 -0.170 -52.017 1.00 5.33 C ATOM 1104 C PRO A 75 22.248 -0.410 -52.816 1.00 21.35 C ATOM 1105 O PRO A 75 21.623 0.531 -53.303 1.00 1.01 O ATOM 1106 CB PRO A 75 24.756 -0.351 -52.908 1.00 75.31 C ATOM 1107 CG PRO A 75 25.181 -1.761 -52.684 1.00 74.53 C ATOM 1108 CD PRO A 75 24.844 -2.073 -51.252 1.00 71.13 C ATOM 0 HA PRO A 75 23.419 0.836 -51.611 1.00 5.33 H new ATOM 0 HB2 PRO A 75 24.517 -0.171 -53.956 1.00 75.31 H new ATOM 0 HB3 PRO A 75 25.547 0.349 -52.637 1.00 75.31 H new ATOM 0 HG2 PRO A 75 24.662 -2.437 -53.363 1.00 74.53 H new ATOM 0 HG3 PRO A 75 26.249 -1.881 -52.869 1.00 74.53 H new ATOM 0 HD2 PRO A 75 24.563 -3.118 -51.124 1.00 71.13 H new ATOM 0 HD3 PRO A 75 25.690 -1.887 -50.590 1.00 71.13 H new ATOM 1116 N ALA A 76 21.867 -1.677 -52.945 1.00 53.33 N ATOM 1117 CA ALA A 76 20.663 -2.040 -53.683 1.00 22.30 C ATOM 1118 C ALA A 76 19.805 -3.017 -52.886 1.00 60.13 C ATOM 1119 O ALA A 76 20.112 -4.206 -52.810 1.00 22.44 O ATOM 1120 CB ALA A 76 21.032 -2.638 -55.033 1.00 31.03 C ATOM 0 H ALA A 76 22.374 -2.468 -52.549 1.00 53.33 H new ATOM 0 HA ALA A 76 20.079 -1.134 -53.847 1.00 22.30 H new ATOM 0 HB1 ALA A 76 20.124 -2.905 -55.573 1.00 31.03 H new ATOM 0 HB2 ALA A 76 21.598 -1.908 -55.612 1.00 31.03 H new ATOM 0 HB3 ALA A 76 21.639 -3.530 -54.882 1.00 31.03 H new ATOM 1126 N GLN A 77 18.730 -2.507 -52.295 1.00 13.20 N ATOM 1127 CA GLN A 77 17.829 -3.335 -51.503 1.00 35.32 C ATOM 1128 C GLN A 77 16.651 -2.517 -50.984 1.00 51.42 C ATOM 1129 O GLN A 77 16.797 -1.367 -50.570 1.00 4.50 O ATOM 1130 CB GLN A 77 18.581 -3.968 -50.331 1.00 10.54 C ATOM 1131 CG GLN A 77 18.011 -5.307 -49.893 1.00 71.24 C ATOM 1132 CD GLN A 77 18.914 -6.036 -48.918 1.00 45.41 C ATOM 1133 OE1 GLN A 77 19.620 -5.413 -48.124 1.00 14.15 O ATOM 1134 NE2 GLN A 77 18.898 -7.362 -48.973 1.00 61.31 N ATOM 0 H GLN A 77 18.462 -1.524 -52.350 1.00 13.20 H new ATOM 0 HA GLN A 77 17.443 -4.125 -52.147 1.00 35.32 H new ATOM 0 HB2 GLN A 77 19.626 -4.102 -50.611 1.00 10.54 H new ATOM 0 HB3 GLN A 77 18.563 -3.281 -49.485 1.00 10.54 H new ATOM 0 HG2 GLN A 77 17.037 -5.149 -49.431 1.00 71.24 H new ATOM 0 HG3 GLN A 77 17.850 -5.933 -50.770 1.00 71.24 H new ATOM 0 HE21 GLN A 77 18.298 -7.837 -49.647 1.00 61.31 H new ATOM 0 HE22 GLN A 77 19.486 -7.906 -48.341 1.00 61.31 H new ATOM 1143 N PRO A 78 15.454 -3.121 -51.007 1.00 33.10 N ATOM 1144 CA PRO A 78 14.227 -2.466 -50.542 1.00 63.14 C ATOM 1145 C PRO A 78 14.210 -2.273 -49.030 1.00 25.01 C ATOM 1146 O PRO A 78 14.629 -3.142 -48.264 1.00 54.23 O ATOM 1147 CB PRO A 78 13.123 -3.436 -50.970 1.00 22.31 C ATOM 1148 CG PRO A 78 13.794 -4.764 -51.046 1.00 22.25 C ATOM 1149 CD PRO A 78 15.205 -4.491 -51.487 1.00 43.34 C ATOM 0 HA PRO A 78 14.117 -1.464 -50.957 1.00 63.14 H new ATOM 0 HB2 PRO A 78 12.304 -3.447 -50.250 1.00 22.31 H new ATOM 0 HB3 PRO A 78 12.698 -3.152 -51.932 1.00 22.31 H new ATOM 0 HG2 PRO A 78 13.778 -5.265 -50.078 1.00 22.25 H new ATOM 0 HG3 PRO A 78 13.284 -5.419 -51.753 1.00 22.25 H new ATOM 0 HD2 PRO A 78 15.907 -5.203 -51.052 1.00 43.34 H new ATOM 0 HD3 PRO A 78 15.308 -4.562 -52.570 1.00 43.34 H new ATOM 1157 N PRO A 79 13.716 -1.108 -48.587 1.00 14.33 N ATOM 1158 CA PRO A 79 13.632 -0.774 -47.162 1.00 34.22 C ATOM 1159 C PRO A 79 12.585 -1.609 -46.432 1.00 13.32 C ATOM 1160 O PRO A 79 11.448 -1.756 -46.882 1.00 44.45 O ATOM 1161 CB PRO A 79 13.230 0.703 -47.166 1.00 72.13 C ATOM 1162 CG PRO A 79 12.530 0.901 -48.467 1.00 1.15 C ATOM 1163 CD PRO A 79 13.200 -0.026 -49.443 1.00 35.33 C ATOM 0 HA PRO A 79 14.569 -0.973 -46.641 1.00 34.22 H new ATOM 0 HB2 PRO A 79 12.577 0.938 -46.325 1.00 72.13 H new ATOM 0 HB3 PRO A 79 14.102 1.351 -47.083 1.00 72.13 H new ATOM 0 HG2 PRO A 79 11.468 0.672 -48.378 1.00 1.15 H new ATOM 0 HG3 PRO A 79 12.606 1.937 -48.797 1.00 1.15 H new ATOM 0 HD2 PRO A 79 12.498 -0.402 -50.187 1.00 35.33 H new ATOM 0 HD3 PRO A 79 14.002 0.474 -49.986 1.00 35.33 H new ATOM 1171 N PRO A 80 12.974 -2.169 -45.277 1.00 15.12 N ATOM 1172 CA PRO A 80 12.082 -2.998 -44.459 1.00 44.44 C ATOM 1173 C PRO A 80 10.972 -2.183 -43.804 1.00 44.10 C ATOM 1174 O PRO A 80 10.714 -1.044 -44.191 1.00 31.03 O ATOM 1175 CB PRO A 80 13.016 -3.581 -43.396 1.00 64.04 C ATOM 1176 CG PRO A 80 14.136 -2.603 -43.298 1.00 62.31 C ATOM 1177 CD PRO A 80 14.313 -2.036 -44.679 1.00 51.05 C ATOM 0 HA PRO A 80 11.567 -3.752 -45.054 1.00 44.44 H new ATOM 0 HB2 PRO A 80 12.505 -3.695 -42.440 1.00 64.04 H new ATOM 0 HB3 PRO A 80 13.377 -4.568 -43.684 1.00 64.04 H new ATOM 0 HG2 PRO A 80 13.905 -1.816 -42.580 1.00 62.31 H new ATOM 0 HG3 PRO A 80 15.050 -3.089 -42.956 1.00 62.31 H new ATOM 0 HD2 PRO A 80 14.638 -0.996 -44.648 1.00 51.05 H new ATOM 0 HD3 PRO A 80 15.063 -2.587 -45.246 1.00 51.05 H new ATOM 1185 N GLY A 81 10.319 -2.775 -42.809 1.00 12.33 N ATOM 1186 CA GLY A 81 9.244 -2.089 -42.115 1.00 43.54 C ATOM 1187 C GLY A 81 9.328 -2.252 -40.611 1.00 34.23 C ATOM 1188 O GLY A 81 9.037 -1.320 -39.860 1.00 72.45 O ATOM 0 H GLY A 81 10.515 -3.717 -42.471 1.00 12.33 H new ATOM 0 HA2 GLY A 81 9.273 -1.028 -42.365 1.00 43.54 H new ATOM 0 HA3 GLY A 81 8.286 -2.473 -42.466 1.00 43.54 H new ATOM 1192 N VAL A 82 9.724 -3.441 -40.167 1.00 44.23 N ATOM 1193 CA VAL A 82 9.845 -3.724 -38.742 1.00 55.01 C ATOM 1194 C VAL A 82 11.275 -3.513 -38.259 1.00 31.54 C ATOM 1195 O VAL A 82 12.142 -4.363 -38.464 1.00 32.13 O ATOM 1196 CB VAL A 82 9.412 -5.166 -38.418 1.00 33.20 C ATOM 1197 CG1 VAL A 82 7.911 -5.328 -38.605 1.00 31.31 C ATOM 1198 CG2 VAL A 82 10.175 -6.158 -39.282 1.00 62.15 C ATOM 0 H VAL A 82 9.966 -4.224 -40.774 1.00 44.23 H new ATOM 0 HA VAL A 82 9.184 -3.029 -38.224 1.00 55.01 H new ATOM 0 HB VAL A 82 9.648 -5.372 -37.374 1.00 33.20 H new ATOM 0 HG11 VAL A 82 7.624 -6.353 -38.371 1.00 31.31 H new ATOM 0 HG12 VAL A 82 7.385 -4.643 -37.939 1.00 31.31 H new ATOM 0 HG13 VAL A 82 7.647 -5.104 -39.638 1.00 31.31 H new ATOM 0 HG21 VAL A 82 9.856 -7.172 -39.040 1.00 62.15 H new ATOM 0 HG22 VAL A 82 9.972 -5.956 -40.334 1.00 62.15 H new ATOM 0 HG23 VAL A 82 11.244 -6.059 -39.093 1.00 62.15 H new ATOM 1208 N SER A 83 11.515 -2.376 -37.615 1.00 12.41 N ATOM 1209 CA SER A 83 12.842 -2.051 -37.104 1.00 74.24 C ATOM 1210 C SER A 83 12.766 -1.578 -35.656 1.00 54.41 C ATOM 1211 O SER A 83 12.077 -0.612 -35.327 1.00 52.53 O ATOM 1212 CB SER A 83 13.495 -0.974 -37.972 1.00 5.45 C ATOM 1213 OG SER A 83 14.839 -0.750 -37.580 1.00 40.03 O ATOM 0 H SER A 83 10.808 -1.664 -37.434 1.00 12.41 H new ATOM 0 HA SER A 83 13.450 -2.955 -37.140 1.00 74.24 H new ATOM 0 HB2 SER A 83 13.464 -1.277 -39.019 1.00 5.45 H new ATOM 0 HB3 SER A 83 12.930 -0.045 -37.892 1.00 5.45 H new ATOM 0 HG SER A 83 15.235 -0.059 -38.151 1.00 40.03 H new ATOM 1219 N PRO A 84 13.491 -2.274 -34.768 1.00 15.10 N ATOM 1220 CA PRO A 84 13.523 -1.944 -33.340 1.00 41.31 C ATOM 1221 C PRO A 84 14.259 -0.637 -33.064 1.00 21.11 C ATOM 1222 O PRO A 84 15.166 -0.256 -33.804 1.00 11.10 O ATOM 1223 CB PRO A 84 14.277 -3.123 -32.720 1.00 74.24 C ATOM 1224 CG PRO A 84 15.120 -3.657 -33.826 1.00 42.12 C ATOM 1225 CD PRO A 84 14.335 -3.437 -35.089 1.00 52.25 C ATOM 0 HA PRO A 84 12.522 -1.799 -32.933 1.00 41.31 H new ATOM 0 HB2 PRO A 84 14.888 -2.803 -31.876 1.00 74.24 H new ATOM 0 HB3 PRO A 84 13.588 -3.881 -32.346 1.00 74.24 H new ATOM 0 HG2 PRO A 84 16.080 -3.142 -33.869 1.00 42.12 H new ATOM 0 HG3 PRO A 84 15.333 -4.716 -33.678 1.00 42.12 H new ATOM 0 HD2 PRO A 84 14.988 -3.237 -35.938 1.00 52.25 H new ATOM 0 HD3 PRO A 84 13.735 -4.310 -35.347 1.00 52.25 H new ATOM 1233 N SER A 85 13.863 0.045 -31.994 1.00 3.01 N ATOM 1234 CA SER A 85 14.484 1.311 -31.622 1.00 54.20 C ATOM 1235 C SER A 85 15.805 1.076 -30.897 1.00 44.33 C ATOM 1236 O SER A 85 16.040 0.002 -30.344 1.00 62.11 O ATOM 1237 CB SER A 85 13.540 2.125 -30.734 1.00 73.53 C ATOM 1238 OG SER A 85 12.706 2.965 -31.512 1.00 52.45 O ATOM 0 H SER A 85 13.115 -0.258 -31.370 1.00 3.01 H new ATOM 0 HA SER A 85 14.685 1.871 -32.536 1.00 54.20 H new ATOM 0 HB2 SER A 85 12.926 1.451 -30.136 1.00 73.53 H new ATOM 0 HB3 SER A 85 14.121 2.729 -30.037 1.00 73.53 H new ATOM 0 HG SER A 85 12.111 3.473 -30.922 1.00 52.45 H new ATOM 1244 N ARG A 86 16.665 2.090 -30.905 1.00 64.40 N ATOM 1245 CA ARG A 86 17.964 1.994 -30.250 1.00 4.20 C ATOM 1246 C ARG A 86 18.187 3.175 -29.309 1.00 72.21 C ATOM 1247 O ARG A 86 17.884 4.319 -29.649 1.00 44.35 O ATOM 1248 CB ARG A 86 19.083 1.942 -31.293 1.00 35.33 C ATOM 1249 CG ARG A 86 18.963 0.772 -32.255 1.00 70.44 C ATOM 1250 CD ARG A 86 20.066 0.797 -33.302 1.00 75.24 C ATOM 1251 NE ARG A 86 19.675 1.551 -34.491 1.00 30.05 N ATOM 1252 CZ ARG A 86 18.983 1.030 -35.497 1.00 72.33 C ATOM 1253 NH1 ARG A 86 18.606 -0.241 -35.460 1.00 25.14 N ATOM 1254 NH2 ARG A 86 18.665 1.780 -36.544 1.00 41.15 N ATOM 0 H ARG A 86 16.486 2.986 -31.357 1.00 64.40 H new ATOM 0 HA ARG A 86 17.980 1.075 -29.664 1.00 4.20 H new ATOM 0 HB2 ARG A 86 19.081 2.871 -31.862 1.00 35.33 H new ATOM 0 HB3 ARG A 86 20.043 1.884 -30.781 1.00 35.33 H new ATOM 0 HG2 ARG A 86 19.009 -0.164 -31.699 1.00 70.44 H new ATOM 0 HG3 ARG A 86 17.991 0.803 -32.748 1.00 70.44 H new ATOM 0 HD2 ARG A 86 20.965 1.239 -32.872 1.00 75.24 H new ATOM 0 HD3 ARG A 86 20.318 -0.224 -33.587 1.00 75.24 H new ATOM 0 HE ARG A 86 19.949 2.532 -34.551 1.00 30.05 H new ATOM 0 HH11 ARG A 86 18.848 -0.821 -34.657 1.00 25.14 H new ATOM 0 HH12 ARG A 86 18.074 -0.638 -36.235 1.00 25.14 H new ATOM 0 HH21 ARG A 86 18.952 2.758 -36.577 1.00 41.15 H new ATOM 0 HH22 ARG A 86 18.133 1.378 -37.316 1.00 41.15 H new ATOM 1268 N LEU A 87 18.716 2.889 -28.125 1.00 23.02 N ATOM 1269 CA LEU A 87 18.979 3.927 -27.134 1.00 21.33 C ATOM 1270 C LEU A 87 20.394 3.802 -26.576 1.00 75.25 C ATOM 1271 O LEU A 87 20.831 2.713 -26.205 1.00 31.32 O ATOM 1272 CB LEU A 87 17.961 3.842 -25.995 1.00 71.14 C ATOM 1273 CG LEU A 87 17.821 5.092 -25.125 1.00 61.54 C ATOM 1274 CD1 LEU A 87 16.730 6.001 -25.669 1.00 32.24 C ATOM 1275 CD2 LEU A 87 17.528 4.707 -23.683 1.00 20.25 C ATOM 0 H LEU A 87 18.971 1.947 -27.827 1.00 23.02 H new ATOM 0 HA LEU A 87 18.886 4.895 -27.626 1.00 21.33 H new ATOM 0 HB2 LEU A 87 16.986 3.610 -26.423 1.00 71.14 H new ATOM 0 HB3 LEU A 87 18.234 3.005 -25.352 1.00 71.14 H new ATOM 0 HG LEU A 87 18.765 5.637 -25.150 1.00 61.54 H new ATOM 0 HD11 LEU A 87 16.645 6.885 -25.037 1.00 32.24 H new ATOM 0 HD12 LEU A 87 16.982 6.304 -26.685 1.00 32.24 H new ATOM 0 HD13 LEU A 87 15.780 5.466 -25.675 1.00 32.24 H new ATOM 0 HD21 LEU A 87 17.431 5.609 -23.078 1.00 20.25 H new ATOM 0 HD22 LEU A 87 16.598 4.140 -23.640 1.00 20.25 H new ATOM 0 HD23 LEU A 87 18.344 4.096 -23.296 1.00 20.25 H new ATOM 1287 N ARG A 88 21.103 4.924 -26.520 1.00 12.24 N ATOM 1288 CA ARG A 88 22.467 4.941 -26.007 1.00 24.55 C ATOM 1289 C ARG A 88 22.634 6.019 -24.940 1.00 23.10 C ATOM 1290 O ARG A 88 22.109 7.125 -25.074 1.00 21.42 O ATOM 1291 CB ARG A 88 23.460 5.177 -27.146 1.00 25.11 C ATOM 1292 CG ARG A 88 24.843 5.594 -26.672 1.00 21.11 C ATOM 1293 CD ARG A 88 25.916 5.210 -27.678 1.00 64.44 C ATOM 1294 NE ARG A 88 25.857 6.033 -28.883 1.00 2.41 N ATOM 1295 CZ ARG A 88 26.846 6.115 -29.767 1.00 13.25 C ATOM 1296 NH1 ARG A 88 27.964 5.427 -29.581 1.00 75.34 N ATOM 1297 NH2 ARG A 88 26.717 6.887 -30.838 1.00 71.34 N ATOM 0 H ARG A 88 20.755 5.834 -26.824 1.00 12.24 H new ATOM 0 HA ARG A 88 22.669 3.971 -25.553 1.00 24.55 H new ATOM 0 HB2 ARG A 88 23.547 4.264 -27.736 1.00 25.11 H new ATOM 0 HB3 ARG A 88 23.064 5.947 -27.808 1.00 25.11 H new ATOM 0 HG2 ARG A 88 24.864 6.672 -26.510 1.00 21.11 H new ATOM 0 HG3 ARG A 88 25.057 5.123 -25.712 1.00 21.11 H new ATOM 0 HD2 ARG A 88 26.898 5.313 -27.217 1.00 64.44 H new ATOM 0 HD3 ARG A 88 25.799 4.161 -27.950 1.00 64.44 H new ATOM 0 HE ARG A 88 25.010 6.575 -29.056 1.00 2.41 H new ATOM 0 HH11 ARG A 88 28.066 4.833 -28.758 1.00 75.34 H new ATOM 0 HH12 ARG A 88 28.722 5.492 -30.261 1.00 75.34 H new ATOM 0 HH21 ARG A 88 25.858 7.418 -30.983 1.00 71.34 H new ATOM 0 HH22 ARG A 88 27.476 6.950 -31.516 1.00 71.34 H new ATOM 1311 N ILE A 89 23.368 5.689 -23.882 1.00 52.03 N ATOM 1312 CA ILE A 89 23.604 6.629 -22.794 1.00 11.32 C ATOM 1313 C ILE A 89 25.092 6.745 -22.480 1.00 72.41 C ATOM 1314 O ILE A 89 25.770 5.742 -22.260 1.00 41.11 O ATOM 1315 CB ILE A 89 22.852 6.212 -21.516 1.00 62.31 C ATOM 1316 CG1 ILE A 89 23.222 7.137 -20.355 1.00 40.11 C ATOM 1317 CG2 ILE A 89 23.165 4.764 -21.167 1.00 54.20 C ATOM 1318 CD1 ILE A 89 22.228 7.104 -19.216 1.00 15.22 C ATOM 0 H ILE A 89 23.809 4.778 -23.756 1.00 52.03 H new ATOM 0 HA ILE A 89 23.229 7.597 -23.127 1.00 11.32 H new ATOM 0 HB ILE A 89 21.781 6.299 -21.697 1.00 62.31 H new ATOM 0 HG12 ILE A 89 24.205 6.857 -19.977 1.00 40.11 H new ATOM 0 HG13 ILE A 89 23.303 8.159 -20.727 1.00 40.11 H new ATOM 0 HG21 ILE A 89 22.627 4.483 -20.262 1.00 54.20 H new ATOM 0 HG22 ILE A 89 22.856 4.117 -21.988 1.00 54.20 H new ATOM 0 HG23 ILE A 89 24.237 4.653 -21.001 1.00 54.20 H new ATOM 0 HD11 ILE A 89 22.554 7.783 -18.429 1.00 15.22 H new ATOM 0 HD12 ILE A 89 21.248 7.413 -19.579 1.00 15.22 H new ATOM 0 HD13 ILE A 89 22.164 6.091 -18.818 1.00 15.22 H new ATOM 1330 N GLY A 90 25.593 7.976 -22.460 1.00 22.04 N ATOM 1331 CA GLY A 90 26.997 8.200 -22.170 1.00 3.41 C ATOM 1332 C GLY A 90 27.912 7.412 -23.086 1.00 74.24 C ATOM 1333 O GLY A 90 28.071 7.753 -24.259 1.00 31.34 O ATOM 0 H GLY A 90 25.052 8.822 -22.639 1.00 22.04 H new ATOM 0 HA2 GLY A 90 27.219 9.263 -22.266 1.00 3.41 H new ATOM 0 HA3 GLY A 90 27.199 7.924 -21.135 1.00 3.41 H new ATOM 1337 N ASP A 91 28.515 6.356 -22.552 1.00 0.13 N ATOM 1338 CA ASP A 91 29.419 5.517 -23.329 1.00 62.15 C ATOM 1339 C ASP A 91 28.911 4.080 -23.389 1.00 75.03 C ATOM 1340 O ASP A 91 29.671 3.154 -23.672 1.00 54.42 O ATOM 1341 CB ASP A 91 30.824 5.549 -22.726 1.00 64.14 C ATOM 1342 CG ASP A 91 31.226 6.937 -22.268 1.00 21.14 C ATOM 1343 OD1 ASP A 91 31.029 7.897 -23.041 1.00 11.11 O ATOM 1344 OD2 ASP A 91 31.738 7.063 -21.135 1.00 64.24 O ATOM 0 H ASP A 91 28.394 6.061 -21.583 1.00 0.13 H new ATOM 0 HA ASP A 91 29.458 5.912 -24.344 1.00 62.15 H new ATOM 0 HB2 ASP A 91 30.869 4.863 -21.880 1.00 64.14 H new ATOM 0 HB3 ASP A 91 31.541 5.191 -23.465 1.00 64.14 H new ATOM 1349 N GLN A 92 27.621 3.902 -23.120 1.00 41.41 N ATOM 1350 CA GLN A 92 27.012 2.578 -23.142 1.00 22.32 C ATOM 1351 C GLN A 92 25.738 2.578 -23.980 1.00 61.11 C ATOM 1352 O GLN A 92 25.082 3.608 -24.127 1.00 54.23 O ATOM 1353 CB GLN A 92 26.700 2.113 -21.718 1.00 40.32 C ATOM 1354 CG GLN A 92 27.900 2.161 -20.786 1.00 31.21 C ATOM 1355 CD GLN A 92 28.864 1.014 -21.017 1.00 32.34 C ATOM 1356 OE1 GLN A 92 28.684 -0.081 -20.482 1.00 10.45 O ATOM 1357 NE2 GLN A 92 29.895 1.258 -21.817 1.00 11.42 N ATOM 0 H GLN A 92 26.978 4.658 -22.884 1.00 41.41 H new ATOM 0 HA GLN A 92 27.723 1.887 -23.595 1.00 22.32 H new ATOM 0 HB2 GLN A 92 25.906 2.736 -21.307 1.00 40.32 H new ATOM 0 HB3 GLN A 92 26.318 1.093 -21.753 1.00 40.32 H new ATOM 0 HG2 GLN A 92 28.425 3.106 -20.925 1.00 31.21 H new ATOM 0 HG3 GLN A 92 27.554 2.137 -19.753 1.00 31.21 H new ATOM 0 HE21 GLN A 92 30.006 2.180 -22.239 1.00 11.42 H new ATOM 0 HE22 GLN A 92 30.576 0.524 -22.009 1.00 11.42 H new ATOM 1366 N GLU A 93 25.395 1.416 -24.527 1.00 62.13 N ATOM 1367 CA GLU A 93 24.200 1.284 -25.352 1.00 31.31 C ATOM 1368 C GLU A 93 23.173 0.376 -24.680 1.00 42.33 C ATOM 1369 O GLU A 93 23.519 -0.460 -23.845 1.00 41.15 O ATOM 1370 CB GLU A 93 24.563 0.728 -26.731 1.00 3.24 C ATOM 1371 CG GLU A 93 23.671 1.241 -27.848 1.00 53.21 C ATOM 1372 CD GLU A 93 23.678 0.334 -29.063 1.00 41.54 C ATOM 1373 OE1 GLU A 93 23.710 -0.901 -28.883 1.00 5.42 O ATOM 1374 OE2 GLU A 93 23.651 0.861 -30.196 1.00 22.13 O ATOM 0 H GLU A 93 25.927 0.553 -24.414 1.00 62.13 H new ATOM 0 HA GLU A 93 23.761 2.275 -25.472 1.00 31.31 H new ATOM 0 HB2 GLU A 93 25.598 0.986 -26.956 1.00 3.24 H new ATOM 0 HB3 GLU A 93 24.505 -0.360 -26.702 1.00 3.24 H new ATOM 0 HG2 GLU A 93 22.651 1.338 -27.477 1.00 53.21 H new ATOM 0 HG3 GLU A 93 24.000 2.238 -28.142 1.00 53.21 H new ATOM 1381 N PHE A 94 21.908 0.548 -25.050 1.00 45.34 N ATOM 1382 CA PHE A 94 20.830 -0.253 -24.483 1.00 63.24 C ATOM 1383 C PHE A 94 19.680 -0.396 -25.475 1.00 75.43 C ATOM 1384 O PHE A 94 19.771 0.052 -26.618 1.00 45.11 O ATOM 1385 CB PHE A 94 20.324 0.380 -23.186 1.00 21.55 C ATOM 1386 CG PHE A 94 21.240 0.161 -22.015 1.00 50.43 C ATOM 1387 CD1 PHE A 94 22.285 1.036 -21.764 1.00 13.21 C ATOM 1388 CD2 PHE A 94 21.056 -0.918 -21.166 1.00 51.04 C ATOM 1389 CE1 PHE A 94 23.129 0.837 -20.688 1.00 43.22 C ATOM 1390 CE2 PHE A 94 21.897 -1.122 -20.089 1.00 2.13 C ATOM 1391 CZ PHE A 94 22.935 -0.242 -19.849 1.00 34.41 C ATOM 0 H PHE A 94 21.605 1.235 -25.740 1.00 45.34 H new ATOM 0 HA PHE A 94 21.224 -1.246 -24.265 1.00 63.24 H new ATOM 0 HB2 PHE A 94 20.194 1.451 -23.340 1.00 21.55 H new ATOM 0 HB3 PHE A 94 19.342 -0.029 -22.950 1.00 21.55 H new ATOM 0 HD1 PHE A 94 22.441 1.882 -22.416 1.00 13.21 H new ATOM 0 HD2 PHE A 94 20.245 -1.608 -21.348 1.00 51.04 H new ATOM 0 HE1 PHE A 94 23.940 1.526 -20.503 1.00 43.22 H new ATOM 0 HE2 PHE A 94 21.743 -1.968 -19.436 1.00 2.13 H new ATOM 0 HZ PHE A 94 23.593 -0.398 -19.007 1.00 34.41 H new ATOM 1401 N ASP A 95 18.597 -1.025 -25.030 1.00 2.44 N ATOM 1402 CA ASP A 95 17.428 -1.227 -25.877 1.00 34.23 C ATOM 1403 C ASP A 95 16.433 -0.082 -25.714 1.00 5.44 C ATOM 1404 O ASP A 95 15.817 0.362 -26.683 1.00 24.53 O ATOM 1405 CB ASP A 95 16.752 -2.557 -25.540 1.00 33.30 C ATOM 1406 CG ASP A 95 17.749 -3.686 -25.366 1.00 40.23 C ATOM 1407 OD1 ASP A 95 18.242 -4.204 -26.390 1.00 21.03 O ATOM 1408 OD2 ASP A 95 18.036 -4.051 -24.207 1.00 31.51 O ATOM 0 H ASP A 95 18.505 -1.404 -24.087 1.00 2.44 H new ATOM 0 HA ASP A 95 17.762 -1.249 -26.914 1.00 34.23 H new ATOM 0 HB2 ASP A 95 16.172 -2.444 -24.624 1.00 33.30 H new ATOM 0 HB3 ASP A 95 16.050 -2.815 -26.333 1.00 33.30 H new ATOM 1413 N SER A 96 16.282 0.393 -24.481 1.00 72.41 N ATOM 1414 CA SER A 96 15.359 1.483 -24.190 1.00 12.30 C ATOM 1415 C SER A 96 15.674 2.116 -22.838 1.00 25.31 C ATOM 1416 O SER A 96 16.628 1.725 -22.164 1.00 24.32 O ATOM 1417 CB SER A 96 13.916 0.976 -24.204 1.00 34.31 C ATOM 1418 OG SER A 96 13.643 0.247 -25.388 1.00 32.41 O ATOM 0 H SER A 96 16.787 0.040 -23.668 1.00 72.41 H new ATOM 0 HA SER A 96 15.477 2.242 -24.964 1.00 12.30 H new ATOM 0 HB2 SER A 96 13.742 0.342 -23.335 1.00 34.31 H new ATOM 0 HB3 SER A 96 13.230 1.820 -24.126 1.00 34.31 H new ATOM 0 HG SER A 96 14.259 0.530 -26.096 1.00 32.41 H new ATOM 1424 N LEU A 97 14.867 3.096 -22.447 1.00 71.55 N ATOM 1425 CA LEU A 97 15.058 3.784 -21.176 1.00 24.14 C ATOM 1426 C LEU A 97 14.981 2.804 -20.009 1.00 42.11 C ATOM 1427 O LEU A 97 15.813 2.815 -19.101 1.00 54.01 O ATOM 1428 CB LEU A 97 14.008 4.882 -21.004 1.00 53.33 C ATOM 1429 CG LEU A 97 14.267 6.184 -21.764 1.00 24.15 C ATOM 1430 CD1 LEU A 97 15.551 6.839 -21.277 1.00 32.23 C ATOM 1431 CD2 LEU A 97 14.334 5.923 -23.261 1.00 43.53 C ATOM 0 H LEU A 97 14.074 3.432 -22.993 1.00 71.55 H new ATOM 0 HA LEU A 97 16.050 4.236 -21.182 1.00 24.14 H new ATOM 0 HB2 LEU A 97 13.043 4.486 -21.320 1.00 53.33 H new ATOM 0 HB3 LEU A 97 13.925 5.115 -19.942 1.00 53.33 H new ATOM 0 HG LEU A 97 13.439 6.866 -21.571 1.00 24.15 H new ATOM 0 HD11 LEU A 97 15.720 7.764 -21.829 1.00 32.23 H new ATOM 0 HD12 LEU A 97 15.465 7.061 -20.213 1.00 32.23 H new ATOM 0 HD13 LEU A 97 16.389 6.162 -21.440 1.00 32.23 H new ATOM 0 HD21 LEU A 97 14.519 6.860 -23.786 1.00 43.53 H new ATOM 0 HD22 LEU A 97 15.142 5.223 -23.472 1.00 43.53 H new ATOM 0 HD23 LEU A 97 13.389 5.498 -23.599 1.00 43.53 H new ATOM 1443 N PRO A 98 13.961 1.934 -20.033 1.00 54.23 N ATOM 1444 CA PRO A 98 13.752 0.929 -18.987 1.00 10.34 C ATOM 1445 C PRO A 98 14.814 -0.165 -19.014 1.00 14.04 C ATOM 1446 O PRO A 98 15.071 -0.818 -18.003 1.00 5.42 O ATOM 1447 CB PRO A 98 12.376 0.348 -19.322 1.00 2.00 C ATOM 1448 CG PRO A 98 12.215 0.577 -20.785 1.00 71.22 C ATOM 1449 CD PRO A 98 12.932 1.864 -21.085 1.00 11.13 C ATOM 0 HA PRO A 98 13.815 1.361 -17.988 1.00 10.34 H new ATOM 0 HB2 PRO A 98 12.325 -0.713 -19.079 1.00 2.00 H new ATOM 0 HB3 PRO A 98 11.588 0.843 -18.755 1.00 2.00 H new ATOM 0 HG2 PRO A 98 12.638 -0.248 -21.358 1.00 71.22 H new ATOM 0 HG3 PRO A 98 11.161 0.645 -21.056 1.00 71.22 H new ATOM 0 HD2 PRO A 98 13.375 1.854 -22.081 1.00 11.13 H new ATOM 0 HD3 PRO A 98 12.257 2.719 -21.045 1.00 11.13 H new ATOM 1457 N ALA A 99 15.426 -0.360 -20.177 1.00 5.23 N ATOM 1458 CA ALA A 99 16.462 -1.373 -20.334 1.00 60.41 C ATOM 1459 C ALA A 99 17.710 -1.011 -19.537 1.00 24.32 C ATOM 1460 O ALA A 99 18.266 -1.845 -18.821 1.00 20.42 O ATOM 1461 CB ALA A 99 16.806 -1.552 -21.805 1.00 63.13 C ATOM 0 H ALA A 99 15.222 0.170 -21.024 1.00 5.23 H new ATOM 0 HA ALA A 99 16.076 -2.315 -19.945 1.00 60.41 H new ATOM 0 HB1 ALA A 99 17.581 -2.311 -21.908 1.00 63.13 H new ATOM 0 HB2 ALA A 99 15.916 -1.865 -22.351 1.00 63.13 H new ATOM 0 HB3 ALA A 99 17.167 -0.608 -22.212 1.00 63.13 H new ATOM 1467 N LEU A 100 18.147 0.237 -19.666 1.00 24.45 N ATOM 1468 CA LEU A 100 19.332 0.709 -18.957 1.00 52.40 C ATOM 1469 C LEU A 100 19.014 0.988 -17.491 1.00 44.44 C ATOM 1470 O LEU A 100 19.827 0.717 -16.606 1.00 71.24 O ATOM 1471 CB LEU A 100 19.877 1.974 -19.622 1.00 42.23 C ATOM 1472 CG LEU A 100 18.957 3.195 -19.599 1.00 74.04 C ATOM 1473 CD1 LEU A 100 19.479 4.239 -18.625 1.00 42.43 C ATOM 1474 CD2 LEU A 100 18.820 3.786 -20.995 1.00 34.10 C ATOM 0 H LEU A 100 17.699 0.940 -20.254 1.00 24.45 H new ATOM 0 HA LEU A 100 20.089 -0.074 -19.003 1.00 52.40 H new ATOM 0 HB2 LEU A 100 20.814 2.241 -19.134 1.00 42.23 H new ATOM 0 HB3 LEU A 100 20.113 1.741 -20.660 1.00 42.23 H new ATOM 0 HG LEU A 100 17.970 2.876 -19.263 1.00 74.04 H new ATOM 0 HD11 LEU A 100 18.811 5.100 -18.623 1.00 42.43 H new ATOM 0 HD12 LEU A 100 19.524 3.812 -17.623 1.00 42.43 H new ATOM 0 HD13 LEU A 100 20.477 4.554 -18.930 1.00 42.43 H new ATOM 0 HD21 LEU A 100 18.162 4.654 -20.960 1.00 34.10 H new ATOM 0 HD22 LEU A 100 19.801 4.089 -21.360 1.00 34.10 H new ATOM 0 HD23 LEU A 100 18.399 3.038 -21.667 1.00 34.10 H new ATOM 1486 N LEU A 101 17.827 1.530 -17.241 1.00 45.14 N ATOM 1487 CA LEU A 101 17.401 1.844 -15.882 1.00 53.01 C ATOM 1488 C LEU A 101 17.241 0.573 -15.054 1.00 63.12 C ATOM 1489 O LEU A 101 17.521 0.563 -13.856 1.00 64.41 O ATOM 1490 CB LEU A 101 16.082 2.619 -15.907 1.00 1.03 C ATOM 1491 CG LEU A 101 16.141 4.025 -16.506 1.00 73.50 C ATOM 1492 CD1 LEU A 101 14.739 4.551 -16.771 1.00 33.23 C ATOM 1493 CD2 LEU A 101 16.901 4.966 -15.584 1.00 13.55 C ATOM 0 H LEU A 101 17.143 1.761 -17.961 1.00 45.14 H new ATOM 0 HA LEU A 101 18.171 2.462 -15.420 1.00 53.01 H new ATOM 0 HB2 LEU A 101 15.352 2.037 -16.469 1.00 1.03 H new ATOM 0 HB3 LEU A 101 15.710 2.696 -14.885 1.00 1.03 H new ATOM 0 HG LEU A 101 16.673 3.973 -17.456 1.00 73.50 H new ATOM 0 HD11 LEU A 101 14.801 5.552 -17.197 1.00 33.23 H new ATOM 0 HD12 LEU A 101 14.229 3.890 -17.471 1.00 33.23 H new ATOM 0 HD13 LEU A 101 14.182 4.589 -15.835 1.00 33.23 H new ATOM 0 HD21 LEU A 101 16.933 5.962 -16.026 1.00 13.55 H new ATOM 0 HD22 LEU A 101 16.398 5.014 -14.618 1.00 13.55 H new ATOM 0 HD23 LEU A 101 17.918 4.598 -15.446 1.00 13.55 H new ATOM 1505 N GLU A 102 16.792 -0.497 -15.703 1.00 33.15 N ATOM 1506 CA GLU A 102 16.597 -1.774 -15.025 1.00 51.34 C ATOM 1507 C GLU A 102 17.928 -2.494 -14.829 1.00 73.12 C ATOM 1508 O GLU A 102 18.172 -3.096 -13.784 1.00 21.45 O ATOM 1509 CB GLU A 102 15.638 -2.659 -15.824 1.00 41.04 C ATOM 1510 CG GLU A 102 14.230 -2.097 -15.922 1.00 73.42 C ATOM 1511 CD GLU A 102 13.335 -2.566 -14.791 1.00 0.40 C ATOM 1512 OE1 GLU A 102 13.698 -2.343 -13.617 1.00 45.10 O ATOM 1513 OE2 GLU A 102 12.272 -3.155 -15.079 1.00 44.41 O ATOM 0 H GLU A 102 16.557 -0.505 -16.695 1.00 33.15 H new ATOM 0 HA GLU A 102 16.164 -1.574 -14.045 1.00 51.34 H new ATOM 0 HB2 GLU A 102 16.036 -2.796 -16.829 1.00 41.04 H new ATOM 0 HB3 GLU A 102 15.595 -3.645 -15.361 1.00 41.04 H new ATOM 0 HG2 GLU A 102 14.276 -1.008 -15.916 1.00 73.42 H new ATOM 0 HG3 GLU A 102 13.790 -2.392 -16.875 1.00 73.42 H new ATOM 1520 N PHE A 103 18.785 -2.428 -15.843 1.00 34.12 N ATOM 1521 CA PHE A 103 20.090 -3.075 -15.783 1.00 42.15 C ATOM 1522 C PHE A 103 21.010 -2.355 -14.802 1.00 11.42 C ATOM 1523 O PHE A 103 21.936 -2.950 -14.250 1.00 73.24 O ATOM 1524 CB PHE A 103 20.732 -3.105 -17.172 1.00 75.14 C ATOM 1525 CG PHE A 103 21.654 -4.272 -17.382 1.00 12.05 C ATOM 1526 CD1 PHE A 103 21.162 -5.567 -17.396 1.00 75.12 C ATOM 1527 CD2 PHE A 103 23.013 -4.074 -17.564 1.00 11.21 C ATOM 1528 CE1 PHE A 103 22.008 -6.642 -17.588 1.00 23.53 C ATOM 1529 CE2 PHE A 103 23.865 -5.145 -17.756 1.00 75.42 C ATOM 1530 CZ PHE A 103 23.361 -6.431 -17.769 1.00 62.41 C ATOM 0 H PHE A 103 18.599 -1.933 -16.715 1.00 34.12 H new ATOM 0 HA PHE A 103 19.945 -4.097 -15.434 1.00 42.15 H new ATOM 0 HB2 PHE A 103 19.946 -3.133 -17.926 1.00 75.14 H new ATOM 0 HB3 PHE A 103 21.288 -2.180 -17.326 1.00 75.14 H new ATOM 0 HD1 PHE A 103 20.105 -5.738 -17.255 1.00 75.12 H new ATOM 0 HD2 PHE A 103 23.412 -3.070 -17.556 1.00 11.21 H new ATOM 0 HE1 PHE A 103 21.612 -7.647 -17.597 1.00 23.53 H new ATOM 0 HE2 PHE A 103 24.923 -4.977 -17.896 1.00 75.42 H new ATOM 0 HZ PHE A 103 24.024 -7.270 -17.920 1.00 62.41 H new ATOM 1540 N TYR A 104 20.748 -1.070 -14.589 1.00 41.23 N ATOM 1541 CA TYR A 104 21.553 -0.267 -13.677 1.00 3.50 C ATOM 1542 C TYR A 104 20.829 -0.058 -12.351 1.00 13.23 C ATOM 1543 O TYR A 104 21.378 0.522 -11.414 1.00 30.15 O ATOM 1544 CB TYR A 104 21.882 1.087 -14.310 1.00 32.31 C ATOM 1545 CG TYR A 104 23.125 1.067 -15.170 1.00 60.02 C ATOM 1546 CD1 TYR A 104 24.300 0.481 -14.715 1.00 74.23 C ATOM 1547 CD2 TYR A 104 23.125 1.634 -16.439 1.00 34.11 C ATOM 1548 CE1 TYR A 104 25.438 0.461 -15.498 1.00 12.33 C ATOM 1549 CE2 TYR A 104 24.258 1.618 -17.229 1.00 32.31 C ATOM 1550 CZ TYR A 104 25.412 1.031 -16.754 1.00 31.33 C ATOM 1551 OH TYR A 104 26.543 1.012 -17.537 1.00 4.13 O ATOM 0 H TYR A 104 19.984 -0.563 -15.036 1.00 41.23 H new ATOM 0 HA TYR A 104 22.481 -0.805 -13.483 1.00 3.50 H new ATOM 0 HB2 TYR A 104 21.036 1.410 -14.916 1.00 32.31 H new ATOM 0 HB3 TYR A 104 22.009 1.827 -13.520 1.00 32.31 H new ATOM 0 HD1 TYR A 104 24.324 0.034 -13.732 1.00 74.23 H new ATOM 0 HD2 TYR A 104 22.223 2.095 -16.814 1.00 34.11 H new ATOM 0 HE1 TYR A 104 26.343 0.002 -15.129 1.00 12.33 H new ATOM 0 HE2 TYR A 104 24.240 2.063 -18.213 1.00 32.31 H new ATOM 0 HH TYR A 104 26.318 0.675 -18.429 1.00 4.13 H new ATOM 1561 N LYS A 105 19.591 -0.535 -12.279 1.00 31.31 N ATOM 1562 CA LYS A 105 18.789 -0.404 -11.068 1.00 71.42 C ATOM 1563 C LYS A 105 19.456 -1.114 -9.894 1.00 73.44 C ATOM 1564 O LYS A 105 19.097 -0.892 -8.738 1.00 33.23 O ATOM 1565 CB LYS A 105 17.388 -0.977 -11.295 1.00 61.24 C ATOM 1566 CG LYS A 105 17.189 -2.356 -10.690 1.00 63.12 C ATOM 1567 CD LYS A 105 15.741 -2.804 -10.787 1.00 74.11 C ATOM 1568 CE LYS A 105 15.632 -4.317 -10.904 1.00 55.43 C ATOM 1569 NZ LYS A 105 14.226 -4.756 -11.122 1.00 75.13 N ATOM 0 H LYS A 105 19.121 -1.016 -13.046 1.00 31.31 H new ATOM 0 HA LYS A 105 18.707 0.656 -10.829 1.00 71.42 H new ATOM 0 HB2 LYS A 105 16.652 -0.294 -10.871 1.00 61.24 H new ATOM 0 HB3 LYS A 105 17.195 -1.028 -12.367 1.00 61.24 H new ATOM 0 HG2 LYS A 105 17.828 -3.075 -11.203 1.00 63.12 H new ATOM 0 HG3 LYS A 105 17.498 -2.344 -9.645 1.00 63.12 H new ATOM 0 HD2 LYS A 105 15.195 -2.466 -9.906 1.00 74.11 H new ATOM 0 HD3 LYS A 105 15.272 -2.336 -11.652 1.00 74.11 H new ATOM 0 HE2 LYS A 105 16.253 -4.663 -11.730 1.00 55.43 H new ATOM 0 HE3 LYS A 105 16.021 -4.780 -9.997 1.00 55.43 H new ATOM 0 HZ1 LYS A 105 14.194 -5.793 -11.197 1.00 75.13 H new ATOM 0 HZ2 LYS A 105 13.638 -4.448 -10.321 1.00 75.13 H new ATOM 0 HZ3 LYS A 105 13.863 -4.334 -12.001 1.00 75.13 H new ATOM 1583 N ILE A 106 20.428 -1.967 -10.200 1.00 31.14 N ATOM 1584 CA ILE A 106 21.146 -2.707 -9.169 1.00 51.21 C ATOM 1585 C ILE A 106 22.649 -2.685 -9.424 1.00 23.25 C ATOM 1586 O ILE A 106 23.433 -3.195 -8.622 1.00 30.00 O ATOM 1587 CB ILE A 106 20.671 -4.170 -9.092 1.00 13.32 C ATOM 1588 CG1 ILE A 106 20.943 -4.888 -10.415 1.00 41.01 C ATOM 1589 CG2 ILE A 106 19.190 -4.228 -8.746 1.00 62.12 C ATOM 1590 CD1 ILE A 106 19.878 -4.650 -11.462 1.00 73.12 C ATOM 0 H ILE A 106 20.736 -2.163 -11.152 1.00 31.14 H new ATOM 0 HA ILE A 106 20.933 -2.214 -8.220 1.00 51.21 H new ATOM 0 HB ILE A 106 21.229 -4.677 -8.304 1.00 13.32 H new ATOM 0 HG12 ILE A 106 21.906 -4.559 -10.806 1.00 41.01 H new ATOM 0 HG13 ILE A 106 21.024 -5.959 -10.228 1.00 41.01 H new ATOM 0 HG21 ILE A 106 18.869 -5.268 -8.695 1.00 62.12 H new ATOM 0 HG22 ILE A 106 19.023 -3.749 -7.781 1.00 62.12 H new ATOM 0 HG23 ILE A 106 18.616 -3.708 -9.513 1.00 62.12 H new ATOM 0 HD11 ILE A 106 20.137 -5.189 -12.373 1.00 73.12 H new ATOM 0 HD12 ILE A 106 18.917 -5.005 -11.091 1.00 73.12 H new ATOM 0 HD13 ILE A 106 19.812 -3.584 -11.678 1.00 73.12 H new ATOM 1602 N HIS A 107 23.046 -2.090 -10.544 1.00 71.00 N ATOM 1603 CA HIS A 107 24.457 -1.999 -10.903 1.00 74.35 C ATOM 1604 C HIS A 107 24.915 -0.545 -10.940 1.00 44.32 C ATOM 1605 O HIS A 107 24.099 0.372 -11.040 1.00 21.30 O ATOM 1606 CB HIS A 107 24.702 -2.658 -12.261 1.00 61.12 C ATOM 1607 CG HIS A 107 24.707 -4.155 -12.208 1.00 44.14 C ATOM 1608 ND1 HIS A 107 24.279 -4.946 -13.253 1.00 73.31 N ATOM 1609 CD2 HIS A 107 25.094 -5.005 -11.229 1.00 3.13 C ATOM 1610 CE1 HIS A 107 24.400 -6.218 -12.918 1.00 21.24 C ATOM 1611 NE2 HIS A 107 24.893 -6.281 -11.694 1.00 23.11 N ATOM 0 H HIS A 107 22.411 -1.664 -11.219 1.00 71.00 H new ATOM 0 HA HIS A 107 25.035 -2.524 -10.143 1.00 74.35 H new ATOM 0 HB2 HIS A 107 23.932 -2.330 -12.959 1.00 61.12 H new ATOM 0 HB3 HIS A 107 25.658 -2.313 -12.656 1.00 61.12 H new ATOM 0 HD2 HIS A 107 25.488 -4.731 -10.262 1.00 3.13 H new ATOM 0 HE1 HIS A 107 24.140 -7.063 -13.539 1.00 21.24 H new ATOM 0 HE2 HIS A 107 25.092 -7.138 -11.178 1.00 23.11 H new ATOM 1619 N TYR A 108 26.225 -0.340 -10.858 1.00 63.52 N ATOM 1620 CA TYR A 108 26.792 1.003 -10.879 1.00 23.32 C ATOM 1621 C TYR A 108 26.971 1.497 -12.311 1.00 62.42 C ATOM 1622 O TYR A 108 27.463 0.769 -13.175 1.00 31.22 O ATOM 1623 CB TYR A 108 28.136 1.023 -10.149 1.00 24.10 C ATOM 1624 CG TYR A 108 28.128 0.260 -8.844 1.00 21.23 C ATOM 1625 CD1 TYR A 108 28.263 -1.123 -8.824 1.00 2.25 C ATOM 1626 CD2 TYR A 108 27.986 0.922 -7.630 1.00 63.13 C ATOM 1627 CE1 TYR A 108 28.255 -1.824 -7.633 1.00 44.03 C ATOM 1628 CE2 TYR A 108 27.979 0.229 -6.435 1.00 51.01 C ATOM 1629 CZ TYR A 108 28.113 -1.144 -6.442 1.00 2.31 C ATOM 1630 OH TYR A 108 28.106 -1.838 -5.254 1.00 64.40 O ATOM 0 H TYR A 108 26.914 -1.087 -10.776 1.00 63.52 H new ATOM 0 HA TYR A 108 26.098 1.671 -10.368 1.00 23.32 H new ATOM 0 HB2 TYR A 108 28.901 0.602 -10.802 1.00 24.10 H new ATOM 0 HB3 TYR A 108 28.418 2.057 -9.954 1.00 24.10 H new ATOM 0 HD1 TYR A 108 28.376 -1.659 -9.755 1.00 2.25 H new ATOM 0 HD2 TYR A 108 27.879 1.997 -7.621 1.00 63.13 H new ATOM 0 HE1 TYR A 108 28.359 -2.899 -7.635 1.00 44.03 H new ATOM 0 HE2 TYR A 108 27.869 0.759 -5.500 1.00 51.01 H new ATOM 0 HH TYR A 108 27.999 -1.210 -4.509 1.00 64.40 H new ATOM 1640 N LEU A 109 26.569 2.739 -12.556 1.00 21.20 N ATOM 1641 CA LEU A 109 26.685 3.333 -13.883 1.00 71.14 C ATOM 1642 C LEU A 109 28.025 4.043 -14.047 1.00 53.40 C ATOM 1643 O LEU A 109 28.656 3.964 -15.101 1.00 51.10 O ATOM 1644 CB LEU A 109 25.540 4.318 -14.125 1.00 34.25 C ATOM 1645 CG LEU A 109 25.640 5.656 -13.392 1.00 12.22 C ATOM 1646 CD1 LEU A 109 24.853 6.728 -14.129 1.00 15.51 C ATOM 1647 CD2 LEU A 109 25.145 5.518 -11.959 1.00 52.34 C ATOM 0 H LEU A 109 26.160 3.354 -11.853 1.00 21.20 H new ATOM 0 HA LEU A 109 26.627 2.531 -14.619 1.00 71.14 H new ATOM 0 HB2 LEU A 109 25.478 4.516 -15.195 1.00 34.25 H new ATOM 0 HB3 LEU A 109 24.606 3.837 -13.835 1.00 34.25 H new ATOM 0 HG LEU A 109 26.687 5.957 -13.366 1.00 12.22 H new ATOM 0 HD11 LEU A 109 24.936 7.673 -13.593 1.00 15.51 H new ATOM 0 HD12 LEU A 109 25.253 6.846 -15.136 1.00 15.51 H new ATOM 0 HD13 LEU A 109 23.805 6.434 -14.187 1.00 15.51 H new ATOM 0 HD21 LEU A 109 25.224 6.480 -11.453 1.00 52.34 H new ATOM 0 HD22 LEU A 109 24.104 5.194 -11.963 1.00 52.34 H new ATOM 0 HD23 LEU A 109 25.752 4.781 -11.434 1.00 52.34 H new ATOM 1659 N ASP A 110 28.453 4.735 -12.997 1.00 45.33 N ATOM 1660 CA ASP A 110 29.720 5.457 -13.023 1.00 43.21 C ATOM 1661 C ASP A 110 30.509 5.216 -11.740 1.00 4.10 C ATOM 1662 O ASP A 110 31.511 4.500 -11.739 1.00 61.30 O ATOM 1663 CB ASP A 110 29.474 6.955 -13.212 1.00 4.05 C ATOM 1664 CG ASP A 110 29.237 7.325 -14.663 1.00 30.35 C ATOM 1665 OD1 ASP A 110 28.249 6.833 -15.246 1.00 34.35 O ATOM 1666 OD2 ASP A 110 30.040 8.105 -15.215 1.00 41.44 O ATOM 0 H ASP A 110 27.942 4.811 -12.118 1.00 45.33 H new ATOM 0 HA ASP A 110 30.305 5.084 -13.863 1.00 43.21 H new ATOM 0 HB2 ASP A 110 28.611 7.256 -12.618 1.00 4.05 H new ATOM 0 HB3 ASP A 110 30.332 7.511 -12.834 1.00 4.05 H new ATOM 1671 N THR A 111 30.052 5.820 -10.647 1.00 40.25 N ATOM 1672 CA THR A 111 30.716 5.673 -9.358 1.00 52.44 C ATOM 1673 C THR A 111 29.706 5.416 -8.246 1.00 72.41 C ATOM 1674 O THR A 111 29.934 5.774 -7.090 1.00 71.31 O ATOM 1675 CB THR A 111 31.542 6.925 -9.006 1.00 70.21 C ATOM 1676 OG1 THR A 111 32.332 6.677 -7.838 1.00 45.21 O ATOM 1677 CG2 THR A 111 30.635 8.122 -8.766 1.00 51.22 C ATOM 0 H THR A 111 29.224 6.416 -10.629 1.00 40.25 H new ATOM 0 HA THR A 111 31.385 4.817 -9.443 1.00 52.44 H new ATOM 0 HB THR A 111 32.198 7.149 -9.847 1.00 70.21 H new ATOM 0 HG1 THR A 111 31.746 6.419 -7.096 1.00 45.21 H new ATOM 0 HG21 THR A 111 31.241 8.994 -8.519 1.00 51.22 H new ATOM 0 HG22 THR A 111 30.056 8.326 -9.667 1.00 51.22 H new ATOM 0 HG23 THR A 111 29.957 7.905 -7.940 1.00 51.22 H new ATOM 1685 N THR A 112 28.587 4.791 -8.602 1.00 23.04 N ATOM 1686 CA THR A 112 27.542 4.485 -7.633 1.00 53.45 C ATOM 1687 C THR A 112 26.420 3.675 -8.273 1.00 22.32 C ATOM 1688 O THR A 112 26.256 3.677 -9.493 1.00 73.13 O ATOM 1689 CB THR A 112 26.948 5.769 -7.024 1.00 2.34 C ATOM 1690 OG1 THR A 112 26.353 5.479 -5.754 1.00 25.03 O ATOM 1691 CG2 THR A 112 25.906 6.377 -7.950 1.00 40.03 C ATOM 0 H THR A 112 28.382 4.487 -9.554 1.00 23.04 H new ATOM 0 HA THR A 112 28.007 3.897 -6.842 1.00 53.45 H new ATOM 0 HB THR A 112 27.756 6.488 -6.891 1.00 2.34 H new ATOM 0 HG1 THR A 112 25.608 6.095 -5.593 1.00 25.03 H new ATOM 0 HG21 THR A 112 25.501 7.282 -7.498 1.00 40.03 H new ATOM 0 HG22 THR A 112 26.368 6.624 -8.906 1.00 40.03 H new ATOM 0 HG23 THR A 112 25.100 5.661 -8.111 1.00 40.03 H new ATOM 1699 N THR A 113 25.649 2.981 -7.441 1.00 51.30 N ATOM 1700 CA THR A 113 24.543 2.165 -7.925 1.00 53.33 C ATOM 1701 C THR A 113 23.290 3.008 -8.138 1.00 63.25 C ATOM 1702 O THR A 113 23.323 4.232 -8.004 1.00 34.21 O ATOM 1703 CB THR A 113 24.218 1.021 -6.946 1.00 53.43 C ATOM 1704 OG1 THR A 113 25.310 0.826 -6.041 1.00 60.03 O ATOM 1705 CG2 THR A 113 23.938 -0.271 -7.698 1.00 72.10 C ATOM 0 H THR A 113 25.771 2.968 -6.428 1.00 51.30 H new ATOM 0 HA THR A 113 24.858 1.739 -8.878 1.00 53.33 H new ATOM 0 HB THR A 113 23.326 1.296 -6.383 1.00 53.43 H new ATOM 0 HG1 THR A 113 26.141 0.720 -6.549 1.00 60.03 H new ATOM 0 HG21 THR A 113 23.711 -1.065 -6.986 1.00 72.10 H new ATOM 0 HG22 THR A 113 23.087 -0.127 -8.364 1.00 72.10 H new ATOM 0 HG23 THR A 113 24.815 -0.549 -8.283 1.00 72.10 H new ATOM 1713 N LEU A 114 22.187 2.346 -8.471 1.00 5.01 N ATOM 1714 CA LEU A 114 20.922 3.035 -8.702 1.00 64.31 C ATOM 1715 C LEU A 114 19.827 2.479 -7.798 1.00 11.34 C ATOM 1716 O LEU A 114 19.679 1.265 -7.659 1.00 63.32 O ATOM 1717 CB LEU A 114 20.506 2.900 -10.168 1.00 2.11 C ATOM 1718 CG LEU A 114 19.653 4.037 -10.730 1.00 53.34 C ATOM 1719 CD1 LEU A 114 19.354 3.803 -12.203 1.00 64.31 C ATOM 1720 CD2 LEU A 114 18.361 4.177 -9.938 1.00 71.43 C ATOM 0 H LEU A 114 22.143 1.334 -8.587 1.00 5.01 H new ATOM 0 HA LEU A 114 21.062 4.090 -8.466 1.00 64.31 H new ATOM 0 HB2 LEU A 114 21.408 2.815 -10.775 1.00 2.11 H new ATOM 0 HB3 LEU A 114 19.954 1.967 -10.284 1.00 2.11 H new ATOM 0 HG LEU A 114 20.215 4.966 -10.637 1.00 53.34 H new ATOM 0 HD11 LEU A 114 18.746 4.623 -12.585 1.00 64.31 H new ATOM 0 HD12 LEU A 114 20.289 3.754 -12.761 1.00 64.31 H new ATOM 0 HD13 LEU A 114 18.812 2.864 -12.320 1.00 64.31 H new ATOM 0 HD21 LEU A 114 17.767 4.991 -10.352 1.00 71.43 H new ATOM 0 HD22 LEU A 114 17.795 3.247 -9.998 1.00 71.43 H new ATOM 0 HD23 LEU A 114 18.595 4.393 -8.895 1.00 71.43 H new ATOM 1732 N ILE A 115 19.061 3.376 -7.186 1.00 55.11 N ATOM 1733 CA ILE A 115 17.976 2.975 -6.298 1.00 5.20 C ATOM 1734 C ILE A 115 16.676 3.683 -6.663 1.00 43.32 C ATOM 1735 O ILE A 115 16.636 4.484 -7.597 1.00 13.14 O ATOM 1736 CB ILE A 115 18.315 3.275 -4.826 1.00 20.23 C ATOM 1737 CG1 ILE A 115 19.831 3.275 -4.618 1.00 51.11 C ATOM 1738 CG2 ILE A 115 17.650 2.257 -3.912 1.00 30.44 C ATOM 1739 CD1 ILE A 115 20.246 3.578 -3.195 1.00 51.45 C ATOM 0 H ILE A 115 19.171 4.385 -7.289 1.00 55.11 H new ATOM 0 HA ILE A 115 17.848 1.900 -6.422 1.00 5.20 H new ATOM 0 HB ILE A 115 17.933 4.265 -4.575 1.00 20.23 H new ATOM 0 HG12 ILE A 115 20.229 2.301 -4.904 1.00 51.11 H new ATOM 0 HG13 ILE A 115 20.281 4.012 -5.284 1.00 51.11 H new ATOM 0 HG21 ILE A 115 17.899 2.482 -2.875 1.00 30.44 H new ATOM 0 HG22 ILE A 115 16.569 2.301 -4.044 1.00 30.44 H new ATOM 0 HG23 ILE A 115 18.005 1.257 -4.162 1.00 30.44 H new ATOM 0 HD11 ILE A 115 21.333 3.561 -3.122 1.00 51.45 H new ATOM 0 HD12 ILE A 115 19.878 4.564 -2.911 1.00 51.45 H new ATOM 0 HD13 ILE A 115 19.826 2.827 -2.526 1.00 51.45 H new ATOM 1751 N GLU A 116 15.616 3.383 -5.919 1.00 42.22 N ATOM 1752 CA GLU A 116 14.314 3.992 -6.165 1.00 3.52 C ATOM 1753 C GLU A 116 14.469 5.438 -6.627 1.00 52.52 C ATOM 1754 O GLU A 116 15.446 6.117 -6.310 1.00 14.34 O ATOM 1755 CB GLU A 116 13.455 3.939 -4.900 1.00 53.01 C ATOM 1756 CG GLU A 116 13.964 4.831 -3.780 1.00 73.31 C ATOM 1757 CD GLU A 116 12.848 5.345 -2.891 1.00 21.32 C ATOM 1758 OE1 GLU A 116 11.863 4.605 -2.686 1.00 41.15 O ATOM 1759 OE2 GLU A 116 12.961 6.487 -2.399 1.00 50.21 O ATOM 0 H GLU A 116 15.633 2.723 -5.142 1.00 42.22 H new ATOM 0 HA GLU A 116 13.820 3.427 -6.955 1.00 3.52 H new ATOM 0 HB2 GLU A 116 12.435 4.232 -5.151 1.00 53.01 H new ATOM 0 HB3 GLU A 116 13.413 2.910 -4.543 1.00 53.01 H new ATOM 0 HG2 GLU A 116 14.679 4.275 -3.174 1.00 73.31 H new ATOM 0 HG3 GLU A 116 14.500 5.677 -4.210 1.00 73.31 H new ATOM 1766 N PRO A 117 13.482 5.922 -7.397 1.00 21.24 N ATOM 1767 CA PRO A 117 13.485 7.291 -7.920 1.00 13.22 C ATOM 1768 C PRO A 117 13.272 8.331 -6.824 1.00 64.44 C ATOM 1769 O PRO A 117 12.630 8.057 -5.811 1.00 33.42 O ATOM 1770 CB PRO A 117 12.309 7.299 -8.899 1.00 74.14 C ATOM 1771 CG PRO A 117 11.399 6.227 -8.407 1.00 73.13 C ATOM 1772 CD PRO A 117 12.288 5.169 -7.815 1.00 33.23 C ATOM 0 HA PRO A 117 14.440 7.551 -8.377 1.00 13.22 H new ATOM 0 HB2 PRO A 117 11.810 8.268 -8.910 1.00 74.14 H new ATOM 0 HB3 PRO A 117 12.641 7.100 -9.918 1.00 74.14 H new ATOM 0 HG2 PRO A 117 10.705 6.616 -7.662 1.00 73.13 H new ATOM 0 HG3 PRO A 117 10.798 5.821 -9.221 1.00 73.13 H new ATOM 0 HD2 PRO A 117 11.812 4.670 -6.971 1.00 33.23 H new ATOM 0 HD3 PRO A 117 12.534 4.397 -8.544 1.00 33.23 H new ATOM 1780 N VAL A 118 13.816 9.525 -7.035 1.00 2.10 N ATOM 1781 CA VAL A 118 13.685 10.607 -6.066 1.00 33.51 C ATOM 1782 C VAL A 118 12.234 11.056 -5.938 1.00 13.41 C ATOM 1783 O VAL A 118 11.500 11.109 -6.925 1.00 1.51 O ATOM 1784 CB VAL A 118 14.554 11.817 -6.455 1.00 13.33 C ATOM 1785 CG1 VAL A 118 13.837 12.682 -7.480 1.00 54.12 C ATOM 1786 CG2 VAL A 118 14.917 12.630 -5.221 1.00 64.31 C ATOM 0 H VAL A 118 14.352 9.768 -7.868 1.00 2.10 H new ATOM 0 HA VAL A 118 14.028 10.217 -5.107 1.00 33.51 H new ATOM 0 HB VAL A 118 15.476 11.450 -6.906 1.00 13.33 H new ATOM 0 HG11 VAL A 118 14.467 13.532 -7.743 1.00 54.12 H new ATOM 0 HG12 VAL A 118 13.632 12.093 -8.374 1.00 54.12 H new ATOM 0 HG13 VAL A 118 12.898 13.042 -7.059 1.00 54.12 H new ATOM 0 HG21 VAL A 118 15.531 13.481 -5.514 1.00 64.31 H new ATOM 0 HG22 VAL A 118 14.007 12.988 -4.740 1.00 64.31 H new ATOM 0 HG23 VAL A 118 15.474 12.004 -4.524 1.00 64.31 H new ATOM 1796 N SER A 119 11.826 11.380 -4.715 1.00 10.11 N ATOM 1797 CA SER A 119 10.461 11.823 -4.456 1.00 72.34 C ATOM 1798 C SER A 119 9.960 12.723 -5.581 1.00 54.43 C ATOM 1799 O SER A 119 10.708 13.540 -6.118 1.00 5.35 O ATOM 1800 CB SER A 119 10.387 12.566 -3.121 1.00 44.24 C ATOM 1801 OG SER A 119 9.148 13.238 -2.979 1.00 40.45 O ATOM 0 H SER A 119 12.422 11.344 -3.888 1.00 10.11 H new ATOM 0 HA SER A 119 9.822 10.941 -4.408 1.00 72.34 H new ATOM 0 HB2 SER A 119 10.517 11.860 -2.301 1.00 44.24 H new ATOM 0 HB3 SER A 119 11.204 13.285 -3.056 1.00 44.24 H new ATOM 0 HG SER A 119 9.256 14.179 -3.230 1.00 40.45 H new ATOM 1807 N ARG A 120 8.688 12.568 -5.933 1.00 74.43 N ATOM 1808 CA ARG A 120 8.085 13.365 -6.995 1.00 5.01 C ATOM 1809 C ARG A 120 7.896 14.812 -6.548 1.00 21.55 C ATOM 1810 O ARG A 120 7.874 15.728 -7.369 1.00 2.00 O ATOM 1811 CB ARG A 120 6.739 12.768 -7.410 1.00 25.25 C ATOM 1812 CG ARG A 120 5.691 12.806 -6.309 1.00 65.23 C ATOM 1813 CD ARG A 120 4.877 14.089 -6.360 1.00 1.02 C ATOM 1814 NE ARG A 120 4.004 14.229 -5.197 1.00 42.43 N ATOM 1815 CZ ARG A 120 2.899 14.966 -5.193 1.00 74.41 C ATOM 1816 NH1 ARG A 120 2.533 15.624 -6.284 1.00 55.21 N ATOM 1817 NH2 ARG A 120 2.156 15.044 -4.096 1.00 62.31 N ATOM 0 H ARG A 120 8.054 11.897 -5.498 1.00 74.43 H new ATOM 0 HA ARG A 120 8.759 13.352 -7.851 1.00 5.01 H new ATOM 0 HB2 ARG A 120 6.362 13.310 -8.277 1.00 25.25 H new ATOM 0 HB3 ARG A 120 6.890 11.734 -7.721 1.00 25.25 H new ATOM 0 HG2 ARG A 120 5.026 11.948 -6.408 1.00 65.23 H new ATOM 0 HG3 ARG A 120 6.179 12.721 -5.338 1.00 65.23 H new ATOM 0 HD2 ARG A 120 5.551 14.944 -6.413 1.00 1.02 H new ATOM 0 HD3 ARG A 120 4.275 14.101 -7.269 1.00 1.02 H new ATOM 0 HE ARG A 120 4.257 13.734 -4.342 1.00 42.43 H new ATOM 0 HH11 ARG A 120 3.100 15.565 -7.130 1.00 55.21 H new ATOM 0 HH12 ARG A 120 1.684 16.189 -6.278 1.00 55.21 H new ATOM 0 HH21 ARG A 120 2.433 14.538 -3.255 1.00 62.31 H new ATOM 0 HH22 ARG A 120 1.308 15.610 -4.094 1.00 62.31 H new ATOM 1831 N SER A 121 7.759 15.008 -5.240 1.00 41.11 N ATOM 1832 CA SER A 121 7.567 16.342 -4.684 1.00 1.23 C ATOM 1833 C SER A 121 8.854 16.854 -4.042 1.00 75.43 C ATOM 1834 O SER A 121 9.796 16.092 -3.823 1.00 12.33 O ATOM 1835 CB SER A 121 6.439 16.329 -3.650 1.00 51.45 C ATOM 1836 OG SER A 121 6.759 15.489 -2.556 1.00 25.24 O ATOM 0 H SER A 121 7.777 14.260 -4.546 1.00 41.11 H new ATOM 0 HA SER A 121 7.296 17.013 -5.499 1.00 1.23 H new ATOM 0 HB2 SER A 121 6.257 17.343 -3.293 1.00 51.45 H new ATOM 0 HB3 SER A 121 5.516 15.986 -4.118 1.00 51.45 H new ATOM 0 HG SER A 121 6.023 15.500 -1.909 1.00 25.24 H new ATOM 1842 N ARG A 122 8.885 18.148 -3.745 1.00 14.55 N ATOM 1843 CA ARG A 122 10.055 18.763 -3.130 1.00 11.14 C ATOM 1844 C ARG A 122 9.900 18.831 -1.613 1.00 73.01 C ATOM 1845 O ARG A 122 10.307 19.806 -0.982 1.00 31.43 O ATOM 1846 CB ARG A 122 10.275 20.168 -3.694 1.00 23.12 C ATOM 1847 CG ARG A 122 10.602 20.184 -5.178 1.00 70.21 C ATOM 1848 CD ARG A 122 10.495 21.586 -5.757 1.00 71.21 C ATOM 1849 NE ARG A 122 11.656 22.406 -5.423 1.00 11.22 N ATOM 1850 CZ ARG A 122 11.601 23.722 -5.252 1.00 42.42 C ATOM 1851 NH1 ARG A 122 10.448 24.364 -5.384 1.00 23.14 N ATOM 1852 NH2 ARG A 122 12.701 24.400 -4.949 1.00 63.31 N ATOM 0 H ARG A 122 8.113 18.792 -3.920 1.00 14.55 H new ATOM 0 HA ARG A 122 10.923 18.145 -3.362 1.00 11.14 H new ATOM 0 HB2 ARG A 122 9.379 20.764 -3.522 1.00 23.12 H new ATOM 0 HB3 ARG A 122 11.087 20.647 -3.147 1.00 23.12 H new ATOM 0 HG2 ARG A 122 11.611 19.801 -5.334 1.00 70.21 H new ATOM 0 HG3 ARG A 122 9.922 19.517 -5.709 1.00 70.21 H new ATOM 0 HD2 ARG A 122 10.395 21.524 -6.841 1.00 71.21 H new ATOM 0 HD3 ARG A 122 9.592 22.066 -5.380 1.00 71.21 H new ATOM 0 HE ARG A 122 12.558 21.943 -5.315 1.00 11.22 H new ATOM 0 HH11 ARG A 122 9.600 23.847 -5.617 1.00 23.14 H new ATOM 0 HH12 ARG A 122 10.409 25.375 -5.252 1.00 23.14 H new ATOM 0 HH21 ARG A 122 13.590 23.910 -4.847 1.00 63.31 H new ATOM 0 HH22 ARG A 122 12.657 25.411 -4.818 1.00 63.31 H new ATOM 1866 N GLN A 123 9.308 17.790 -1.037 1.00 22.42 N ATOM 1867 CA GLN A 123 9.098 17.732 0.405 1.00 44.40 C ATOM 1868 C GLN A 123 9.028 16.287 0.888 1.00 51.51 C ATOM 1869 O GLN A 123 8.297 15.471 0.329 1.00 64.51 O ATOM 1870 CB GLN A 123 7.815 18.473 0.785 1.00 72.33 C ATOM 1871 CG GLN A 123 7.575 18.545 2.284 1.00 33.50 C ATOM 1872 CD GLN A 123 8.734 19.173 3.031 1.00 24.13 C ATOM 1873 OE1 GLN A 123 9.271 20.201 2.617 1.00 60.22 O ATOM 1874 NE2 GLN A 123 9.128 18.557 4.140 1.00 12.21 N ATOM 0 H GLN A 123 8.965 16.975 -1.546 1.00 22.42 H new ATOM 0 HA GLN A 123 9.946 18.216 0.890 1.00 44.40 H new ATOM 0 HB2 GLN A 123 7.858 19.485 0.383 1.00 72.33 H new ATOM 0 HB3 GLN A 123 6.966 17.978 0.313 1.00 72.33 H new ATOM 0 HG2 GLN A 123 6.670 19.121 2.476 1.00 33.50 H new ATOM 0 HG3 GLN A 123 7.401 17.540 2.669 1.00 33.50 H new ATOM 0 HE21 GLN A 123 8.655 17.707 4.447 1.00 12.21 H new ATOM 0 HE22 GLN A 123 9.904 18.934 4.685 1.00 12.21 H new ATOM 1883 N GLY A 124 9.793 15.979 1.931 1.00 64.15 N ATOM 1884 CA GLY A 124 9.803 14.632 2.471 1.00 42.03 C ATOM 1885 C GLY A 124 8.581 14.338 3.318 1.00 2.21 C ATOM 1886 O GLY A 124 8.433 14.879 4.414 1.00 21.21 O ATOM 0 H GLY A 124 10.406 16.638 2.411 1.00 64.15 H new ATOM 0 HA2 GLY A 124 9.854 13.916 1.651 1.00 42.03 H new ATOM 0 HA3 GLY A 124 10.701 14.492 3.073 1.00 42.03 H new ATOM 1890 N ARG A 125 7.703 13.481 2.809 1.00 34.33 N ATOM 1891 CA ARG A 125 6.486 13.118 3.526 1.00 54.42 C ATOM 1892 C ARG A 125 6.512 11.648 3.934 1.00 4.53 C ATOM 1893 O ARG A 125 6.667 10.763 3.093 1.00 52.10 O ATOM 1894 CB ARG A 125 5.256 13.396 2.659 1.00 62.53 C ATOM 1895 CG ARG A 125 4.994 14.875 2.428 1.00 23.12 C ATOM 1896 CD ARG A 125 3.524 15.143 2.146 1.00 44.10 C ATOM 1897 NE ARG A 125 3.046 14.401 0.983 1.00 70.22 N ATOM 1898 CZ ARG A 125 1.770 14.352 0.616 1.00 62.11 C ATOM 1899 NH1 ARG A 125 0.850 14.999 1.317 1.00 0.34 N ATOM 1900 NH2 ARG A 125 1.413 13.655 -0.455 1.00 72.20 N ATOM 0 H ARG A 125 7.811 13.025 1.903 1.00 34.33 H new ATOM 0 HA ARG A 125 6.431 13.726 4.429 1.00 54.42 H new ATOM 0 HB2 ARG A 125 5.383 12.904 1.695 1.00 62.53 H new ATOM 0 HB3 ARG A 125 4.381 12.950 3.132 1.00 62.53 H new ATOM 0 HG2 ARG A 125 5.307 15.442 3.305 1.00 23.12 H new ATOM 0 HG3 ARG A 125 5.596 15.226 1.590 1.00 23.12 H new ATOM 0 HD2 ARG A 125 2.932 14.869 3.019 1.00 44.10 H new ATOM 0 HD3 ARG A 125 3.375 16.210 1.981 1.00 44.10 H new ATOM 0 HE ARG A 125 3.729 13.892 0.422 1.00 70.22 H new ATOM 0 HH11 ARG A 125 1.121 15.536 2.141 1.00 0.34 H new ATOM 0 HH12 ARG A 125 -0.129 14.960 1.033 1.00 0.34 H new ATOM 0 HH21 ARG A 125 2.118 13.156 -0.997 1.00 72.20 H new ATOM 0 HH22 ARG A 125 0.433 13.618 -0.736 1.00 72.20 H new TER 1914 ARG A 125 END