HEADER SIGNALING PROTEIN 16-JUL-08 SMS20032 TITLE SOLUTION STRUCTURE OF GELATINASE BIOSYNTHESIS-ACTIVATING PHEROMONE TITLE 2 (GBAP), A 11-RESIDUE PEPTIDE LACTONE, FROM THE GRAM-POSITIVE TITLE 3 BACTERIUM ENTEROCOCCUS FAECALIS COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN FSRB; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 220-230; COMPND 5 SYNONYM: AGRBFS; COMPND 6 ENGINEERED: YES; COMPND 7 OTHER_DETAILS: GELATINASE BIOSYNTHESIS-ACTIVATING PHEROMONE (GBAP) SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS OG1RF; SOURCE 4 ORGANISM_TAXID: 474186; SOURCE 5 OTHER_DETAILS: CHEMICAL SYNTHESIZED KEYWDS A 11-RESIDUE PEPTIDE LACTONE, SIGNALING PROTEIN EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR K.NAGATA,K.NISHIGUCHI,Y.KAMEDA,K.SONOMOTO,J.NAKAYAMA,M.TANOKURA JRNL AUTH K.NISHIGUCHI,K.NAGATA,M.TANOKURA,K.SONOMOTO,J.NAKAYAMA JRNL TITL STRUCTURE-ACTIVITY RELATIONSHIP OF GELATINASE JRNL TITL 2 BIOSYNTHESIS-ACTIVATING PHEROMONE OF ENTEROCOCCUS FAECALIS JRNL REF J.BACTERIOL. V. 191 641 2009 JRNL REFN ISSN 0021-9193 JRNL PMID 18996993 JRNL DOI 10.1128/JB.01029-08 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA, CNS REMARK 3 AUTHORS : GUNTERT, MUMENTHALER AND WUTHRICH (CYANA), REMARK 3 BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: CYANA (DISTANCE RESTRAINTS WERE USED TO REMARK 3 MIMICK THE ESTER BOND), CNS (ENERGY MINIMIZATION WAS PERFORMED IN REMARK 3 THE PRESENCE OF THE ESTER BOND) REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 16-SEP-10. REMARK 100 THE BMRB ID CODE IS SMS20032. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 1.5MM GBAP; 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D DQF-COSY; 2D 1H-1H TOCSY; 2D REMARK 210 1H-1H NOESY; 2D 1H-15N HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR, NMRPIPE, NMRDRAW, SPARKY, REMARK 210 CYANA REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS, ENERGY REMARK 210 MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 1 ILE A 6 -149.33 -70.39 REMARK 500 1 PHE A 7 -84.14 -41.68 REMARK 500 2 ILE A 6 -145.47 -67.81 REMARK 500 2 PHE A 7 -83.29 -49.36 REMARK 500 3 ILE A 6 -144.25 -64.09 REMARK 500 3 PHE A 7 -75.54 -53.91 REMARK 500 4 ILE A 6 -144.90 -68.44 REMARK 500 4 PHE A 7 -85.69 -47.89 REMARK 500 5 ILE A 6 -143.36 -67.87 REMARK 500 5 PHE A 7 -83.15 -50.23 REMARK 500 6 ILE A 6 -140.87 -62.73 REMARK 500 6 PHE A 7 -74.49 -59.26 REMARK 500 7 ILE A 6 -141.82 -67.26 REMARK 500 7 PHE A 7 -84.63 -54.27 REMARK 500 8 ILE A 6 -137.82 -63.03 REMARK 500 8 PHE A 7 -75.52 -62.38 REMARK 500 9 ILE A 6 -134.62 -62.59 REMARK 500 9 PHE A 7 -72.48 -67.42 REMARK 500 10 ILE A 6 -139.13 -63.70 REMARK 500 10 PHE A 7 -75.57 -57.30 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SMS20032 RELATED DB: BMRB DBREF A 1 11 UNP Q9RQG4 FSRB_ENTFA 220 230 SEQRES 1 A 11 GLN ASN SER PRO ASN ILE PHE GLY GLN TRP MET LINK OG SER A 3 C MET A 11 1555 1555 1.41 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 MODEL 1 ATOM 1 N GLN A 1 5.845 -6.157 1.796 1.00 63.13 N ATOM 2 CA GLN A 1 6.164 -4.704 1.859 1.00 54.12 C ATOM 3 C GLN A 1 5.880 -4.129 3.250 1.00 72.11 C ATOM 4 O GLN A 1 5.557 -4.862 4.187 1.00 55.41 O ATOM 5 CB GLN A 1 5.330 -3.982 0.792 1.00 72.10 C ATOM 6 CG GLN A 1 6.165 -3.211 -0.227 1.00 72.52 C ATOM 7 CD GLN A 1 6.203 -3.883 -1.591 1.00 30.21 C ATOM 8 OE1 GLN A 1 5.654 -4.969 -1.775 1.00 74.01 O ATOM 9 NE2 GLN A 1 6.854 -3.240 -2.559 1.00 73.34 N ATOM 10 H1 GLN A 1 6.553 -6.663 2.364 1.00 51.34 H ATOM 11 H2 GLN A 1 5.888 -6.445 0.797 1.00 0.00 H ATOM 12 H3 GLN A 1 4.889 -6.290 2.184 1.00 0.00 H ATOM 13 HA GLN A 1 7.212 -4.577 1.636 1.00 50.14 H ATOM 14 HB2 GLN A 1 4.741 -4.713 0.259 1.00 53.54 H ATOM 15 HB3 GLN A 1 4.665 -3.286 1.281 1.00 70.10 H ATOM 16 HG2 GLN A 1 5.743 -2.223 -0.343 1.00 33.01 H ATOM 17 HG3 GLN A 1 7.176 -3.127 0.145 1.00 53.01 H ATOM 18 HE21 GLN A 1 7.268 -2.377 -2.347 1.00 50.11 H ATOM 19 HE22 GLN A 1 6.893 -3.656 -3.447 1.00 53.54 H ATOM 20 N ASN A 2 6.016 -2.811 3.371 1.00 73.34 N ATOM 21 CA ASN A 2 5.788 -2.111 4.636 1.00 30.51 C ATOM 22 C ASN A 2 4.316 -1.737 4.826 1.00 52.53 C ATOM 23 O ASN A 2 3.779 -1.838 5.929 1.00 73.24 O ATOM 24 CB ASN A 2 6.622 -0.825 4.664 1.00 14.51 C ATOM 25 CG ASN A 2 7.389 -0.639 5.957 1.00 72.54 C ATOM 26 OD1 ASN A 2 6.802 -0.486 7.029 1.00 74.34 O ATOM 27 ND2 ASN A 2 8.712 -0.640 5.855 1.00 31.21 N ATOM 28 H ASN A 2 6.284 -2.291 2.587 1.00 44.31 H ATOM 29 HA ASN A 2 6.105 -2.753 5.444 1.00 55.41 H ATOM 30 HB2 ASN A 2 7.331 -0.845 3.850 1.00 31.43 H ATOM 31 HB3 ASN A 2 5.963 0.022 4.537 1.00 12.13 H ATOM 32 HD21 ASN A 2 9.106 -0.761 4.966 1.00 2.42 H ATOM 33 HD22 ASN A 2 9.240 -0.521 6.672 1.00 32.43 H ATOM 34 N SER A 3 3.693 -1.251 3.750 1.00 2.53 N ATOM 35 CA SER A 3 2.301 -0.792 3.796 1.00 31.43 C ATOM 36 C SER A 3 1.321 -1.750 3.104 1.00 55.23 C ATOM 37 O SER A 3 1.727 -2.690 2.420 1.00 11.50 O ATOM 38 CB SER A 3 2.220 0.592 3.159 1.00 23.54 C ATOM 39 OG SER A 3 3.353 0.833 2.350 1.00 12.02 O ATOM 40 H SER A 3 4.195 -1.160 2.914 1.00 54.01 H ATOM 41 HA SER A 3 2.019 -0.707 4.835 1.00 34.40 H ATOM 42 HB2 SER A 3 1.336 0.655 2.545 1.00 33.55 H ATOM 43 HB3 SER A 3 2.178 1.342 3.935 1.00 31.34 H ATOM 44 N PRO A 4 -0.003 -1.515 3.301 1.00 43.13 N ATOM 45 CA PRO A 4 -1.081 -2.349 2.735 1.00 4.13 C ATOM 46 C PRO A 4 -1.124 -2.398 1.221 1.00 65.24 C ATOM 47 O PRO A 4 -0.887 -1.401 0.543 1.00 23.40 O ATOM 48 CB PRO A 4 -2.371 -1.661 3.219 1.00 23.21 C ATOM 49 CG PRO A 4 -1.954 -0.283 3.586 1.00 24.51 C ATOM 50 CD PRO A 4 -0.560 -0.421 4.122 1.00 40.25 C ATOM 51 HA PRO A 4 -1.048 -3.352 3.125 1.00 34.43 H ATOM 52 HB2 PRO A 4 -3.099 -1.649 2.415 1.00 54.22 H ATOM 53 HB3 PRO A 4 -2.777 -2.191 4.066 1.00 40.11 H ATOM 54 HG2 PRO A 4 -1.964 0.350 2.707 1.00 10.13 H ATOM 55 HG3 PRO A 4 -2.615 0.114 4.342 1.00 10.33 H ATOM 56 HD2 PRO A 4 -0.010 0.495 3.981 1.00 73.53 H ATOM 57 HD3 PRO A 4 -0.582 -0.697 5.165 1.00 34.30 H ATOM 58 N ASN A 5 -1.524 -3.552 0.702 1.00 64.13 N ATOM 59 CA ASN A 5 -1.708 -3.719 -0.700 1.00 5.11 C ATOM 60 C ASN A 5 -3.003 -3.025 -1.042 1.00 24.53 C ATOM 61 O ASN A 5 -3.993 -3.659 -1.405 1.00 61.45 O ATOM 62 CB ASN A 5 -1.772 -5.201 -1.072 1.00 64.35 C ATOM 63 CG ASN A 5 -2.036 -6.122 0.105 1.00 75.21 C ATOM 64 OD1 ASN A 5 -3.182 -6.477 0.389 1.00 32.43 O ATOM 65 ND2 ASN A 5 -0.973 -6.511 0.795 1.00 64.52 N ATOM 66 H ASN A 5 -1.765 -4.283 1.280 1.00 2.31 H ATOM 67 HA ASN A 5 -0.891 -3.246 -1.210 1.00 33.02 H ATOM 68 HB2 ASN A 5 -2.563 -5.337 -1.782 1.00 44.43 H ATOM 69 HB3 ASN A 5 -0.834 -5.479 -1.514 1.00 32.13 H ATOM 70 HD21 ASN A 5 -0.094 -6.183 0.513 1.00 43.45 H ATOM 71 HD22 ASN A 5 -1.110 -7.117 1.553 1.00 53.02 H ATOM 72 N ILE A 6 -2.990 -1.707 -0.897 1.00 62.42 N ATOM 73 CA ILE A 6 -4.153 -0.922 -1.162 1.00 3.04 C ATOM 74 C ILE A 6 -4.402 -0.918 -2.649 1.00 65.02 C ATOM 75 O ILE A 6 -4.060 -1.866 -3.361 1.00 71.44 O ATOM 76 CB ILE A 6 -4.045 0.543 -0.652 1.00 14.21 C ATOM 77 CG1 ILE A 6 -3.002 0.708 0.427 1.00 1.02 C ATOM 78 CG2 ILE A 6 -5.382 1.077 -0.169 1.00 25.32 C ATOM 79 CD1 ILE A 6 -1.834 1.440 -0.117 1.00 2.10 C ATOM 80 H ILE A 6 -2.178 -1.263 -0.616 1.00 40.12 H ATOM 81 HA ILE A 6 -4.968 -1.378 -0.668 1.00 5.03 H ATOM 82 HB ILE A 6 -3.746 1.149 -1.487 1.00 22.14 H ATOM 83 HG12 ILE A 6 -3.410 1.277 1.253 1.00 31.54 H ATOM 84 HG13 ILE A 6 -2.669 -0.249 0.777 1.00 15.22 H ATOM 85 HG21 ILE A 6 -5.324 1.294 0.889 1.00 32.51 H ATOM 86 HG22 ILE A 6 -6.147 0.340 -0.343 1.00 12.14 H ATOM 87 HG23 ILE A 6 -5.619 1.987 -0.709 1.00 22.04 H ATOM 88 HD11 ILE A 6 -1.966 1.548 -1.193 1.00 74.53 H ATOM 89 HD12 ILE A 6 -0.943 0.878 0.086 1.00 1.43 H ATOM 90 HD13 ILE A 6 -1.787 2.407 0.335 1.00 30.20 H ATOM 91 N PHE A 7 -4.964 0.164 -3.100 1.00 34.54 N ATOM 92 CA PHE A 7 -5.253 0.377 -4.488 1.00 61.31 C ATOM 93 C PHE A 7 -4.109 -0.098 -5.363 1.00 1.25 C ATOM 94 O PHE A 7 -4.100 -1.226 -5.858 1.00 35.13 O ATOM 95 CB PHE A 7 -5.504 1.870 -4.659 1.00 75.10 C ATOM 96 CG PHE A 7 -6.885 2.268 -4.211 1.00 24.03 C ATOM 97 CD1 PHE A 7 -7.948 1.383 -4.338 1.00 54.31 C ATOM 98 CD2 PHE A 7 -7.115 3.500 -3.617 1.00 72.54 C ATOM 99 CE1 PHE A 7 -9.204 1.713 -3.879 1.00 4.54 C ATOM 100 CE2 PHE A 7 -8.377 3.838 -3.166 1.00 35.30 C ATOM 101 CZ PHE A 7 -9.419 2.942 -3.293 1.00 53.03 C ATOM 102 H PHE A 7 -5.173 0.869 -2.471 1.00 60.34 H ATOM 103 HA PHE A 7 -6.133 -0.165 -4.744 1.00 34.43 H ATOM 104 HB2 PHE A 7 -4.782 2.409 -4.041 1.00 51.41 H ATOM 105 HB3 PHE A 7 -5.370 2.145 -5.685 1.00 24.11 H ATOM 106 HD1 PHE A 7 -7.784 0.421 -4.801 1.00 33.51 H ATOM 107 HD2 PHE A 7 -6.300 4.204 -3.519 1.00 4.04 H ATOM 108 HE1 PHE A 7 -10.019 1.011 -3.984 1.00 72.04 H ATOM 109 HE2 PHE A 7 -8.548 4.801 -2.706 1.00 44.51 H ATOM 110 HZ PHE A 7 -10.398 3.198 -2.926 1.00 50.32 H ATOM 111 N GLY A 8 -3.145 0.765 -5.518 1.00 33.11 N ATOM 112 CA GLY A 8 -1.984 0.450 -6.304 1.00 51.02 C ATOM 113 C GLY A 8 -0.752 1.028 -5.677 1.00 24.10 C ATOM 114 O GLY A 8 0.091 1.609 -6.357 1.00 21.45 O ATOM 115 H GLY A 8 -3.218 1.631 -5.075 1.00 50.41 H ATOM 116 HA2 GLY A 8 -1.881 -0.624 -6.368 1.00 23.21 H ATOM 117 HA3 GLY A 8 -2.105 0.860 -7.292 1.00 51.32 H ATOM 118 N GLN A 9 -0.662 0.893 -4.362 1.00 42.01 N ATOM 119 CA GLN A 9 0.426 1.414 -3.633 1.00 33.11 C ATOM 120 C GLN A 9 0.705 0.567 -2.425 1.00 3.40 C ATOM 121 O GLN A 9 -0.174 0.308 -1.613 1.00 74.52 O ATOM 122 CB GLN A 9 0.108 2.803 -3.175 1.00 65.42 C ATOM 123 CG GLN A 9 -1.266 3.325 -3.573 1.00 51.21 C ATOM 124 CD GLN A 9 -1.294 3.898 -4.979 1.00 31.13 C ATOM 125 OE1 GLN A 9 -0.256 4.245 -5.541 1.00 1.21 O ATOM 126 NE2 GLN A 9 -2.489 4.009 -5.552 1.00 62.45 N ATOM 127 H GLN A 9 -1.356 0.450 -3.863 1.00 0.13 H ATOM 128 HA GLN A 9 1.295 1.436 -4.271 1.00 75.41 H ATOM 129 HB2 GLN A 9 0.169 2.812 -2.103 1.00 34.11 H ATOM 130 HB3 GLN A 9 0.846 3.441 -3.584 1.00 35.02 H ATOM 131 HG2 GLN A 9 -1.979 2.518 -3.515 1.00 52.32 H ATOM 132 HG3 GLN A 9 -1.550 4.104 -2.881 1.00 52.23 H ATOM 133 HE21 GLN A 9 -3.275 3.717 -5.043 1.00 33.44 H ATOM 134 HE22 GLN A 9 -2.536 4.379 -6.457 1.00 55.35 H ATOM 135 N TRP A 10 1.931 0.145 -2.329 1.00 1.34 N ATOM 136 CA TRP A 10 2.414 -0.675 -1.257 1.00 45.44 C ATOM 137 C TRP A 10 3.148 0.200 -0.249 1.00 34.42 C ATOM 138 O TRP A 10 4.042 -0.225 0.482 1.00 43.52 O ATOM 139 CB TRP A 10 3.303 -1.696 -1.899 1.00 61.12 C ATOM 140 CG TRP A 10 2.716 -2.262 -3.181 1.00 41.04 C ATOM 141 CD1 TRP A 10 3.373 -2.751 -4.281 1.00 63.01 C ATOM 142 CD2 TRP A 10 1.331 -2.336 -3.491 1.00 43.21 C ATOM 143 NE1 TRP A 10 2.459 -3.095 -5.263 1.00 14.11 N ATOM 144 CE2 TRP A 10 1.194 -2.846 -4.792 1.00 74.11 C ATOM 145 CE3 TRP A 10 0.199 -2.007 -2.778 1.00 53.14 C ATOM 146 CZ2 TRP A 10 -0.061 -3.016 -5.387 1.00 33.15 C ATOM 147 CZ3 TRP A 10 -1.031 -2.168 -3.354 1.00 50.31 C ATOM 148 CH2 TRP A 10 -1.158 -2.662 -4.642 1.00 52.32 C ATOM 149 H TRP A 10 2.555 0.393 -3.016 1.00 65.44 H ATOM 150 HA TRP A 10 1.587 -1.162 -0.766 1.00 73.15 H ATOM 151 HB2 TRP A 10 4.233 -1.216 -2.137 1.00 45.21 H ATOM 152 HB3 TRP A 10 3.443 -2.466 -1.213 1.00 74.42 H ATOM 153 HD1 TRP A 10 4.445 -2.837 -4.361 1.00 40.35 H ATOM 154 HE1 TRP A 10 2.681 -3.460 -6.150 1.00 22.15 H ATOM 155 HE3 TRP A 10 0.278 -1.638 -1.776 1.00 1.42 H ATOM 156 HZ2 TRP A 10 -0.179 -3.396 -6.391 1.00 64.30 H ATOM 157 HZ3 TRP A 10 -1.917 -1.902 -2.808 1.00 50.22 H ATOM 158 HH2 TRP A 10 -2.147 -2.750 -5.042 1.00 73.31 H ATOM 159 N MET A 11 2.712 1.437 -0.280 1.00 71.43 N ATOM 160 CA MET A 11 3.194 2.552 0.539 1.00 50.00 C ATOM 161 C MET A 11 3.409 2.199 2.011 1.00 0.51 C ATOM 162 O MET A 11 3.635 3.085 2.841 1.00 43.21 O ATOM 163 CB MET A 11 2.192 3.702 0.425 1.00 71.32 C ATOM 164 CG MET A 11 0.731 3.310 0.683 1.00 25.14 C ATOM 165 SD MET A 11 -0.022 4.281 2.004 1.00 40.24 S ATOM 166 CE MET A 11 -0.385 5.786 1.107 1.00 71.45 C ATOM 167 H MET A 11 2.018 1.615 -0.917 1.00 10.33 H ATOM 168 HA MET A 11 4.133 2.885 0.129 1.00 54.14 H ATOM 169 HB2 MET A 11 2.473 4.466 1.131 1.00 52.42 H ATOM 170 HB3 MET A 11 2.251 4.110 -0.570 1.00 45.00 H ATOM 171 HG2 MET A 11 0.160 3.481 -0.226 1.00 12.22 H ATOM 172 HG3 MET A 11 0.679 2.263 0.942 1.00 64.13 H ATOM 173 HE1 MET A 11 -1.098 5.566 0.326 1.00 50.33 H ATOM 174 HE2 MET A 11 0.529 6.171 0.664 1.00 70.41 H ATOM 175 HE3 MET A 11 -0.805 6.522 1.781 1.00 20.42 H TER 176 MET A 11 ENDMDL MODEL 2 ATOM 1 N GLN A 1 5.490 -3.298 0.139 1.00 64.42 N ATOM 2 CA GLN A 1 5.855 -4.449 1.015 1.00 64.15 C ATOM 3 C GLN A 1 5.513 -4.170 2.481 1.00 74.54 C ATOM 4 O GLN A 1 4.941 -5.021 3.164 1.00 75.21 O ATOM 5 CB GLN A 1 7.353 -4.750 0.853 1.00 21.22 C ATOM 6 CG GLN A 1 7.628 -6.166 0.365 1.00 51.02 C ATOM 7 CD GLN A 1 8.874 -6.771 0.982 1.00 60.43 C ATOM 8 OE1 GLN A 1 8.790 -7.590 1.897 1.00 65.31 O ATOM 9 NE2 GLN A 1 10.037 -6.376 0.479 1.00 64.42 N ATOM 10 H1 GLN A 1 6.193 -3.237 -0.625 1.00 71.43 H ATOM 11 H2 GLN A 1 5.493 -2.437 0.722 1.00 0.00 H ATOM 12 H3 GLN A 1 4.541 -3.485 -0.243 1.00 0.00 H ATOM 13 HA GLN A 1 5.289 -5.308 0.690 1.00 24.54 H ATOM 14 HB2 GLN A 1 7.773 -4.059 0.138 1.00 31.23 H ATOM 15 HB3 GLN A 1 7.844 -4.617 1.804 1.00 23.24 H ATOM 16 HG2 GLN A 1 6.783 -6.789 0.616 1.00 42.12 H ATOM 17 HG3 GLN A 1 7.749 -6.145 -0.709 1.00 1.14 H ATOM 18 HE21 GLN A 1 10.025 -5.723 -0.252 1.00 50.14 H ATOM 19 HE22 GLN A 1 10.857 -6.753 0.857 1.00 1.03 H ATOM 20 N ASN A 2 5.855 -2.976 2.961 1.00 44.22 N ATOM 21 CA ASN A 2 5.570 -2.593 4.337 1.00 74.00 C ATOM 22 C ASN A 2 4.110 -2.152 4.476 1.00 34.42 C ATOM 23 O ASN A 2 3.354 -2.714 5.268 1.00 42.42 O ATOM 24 CB ASN A 2 6.515 -1.465 4.779 1.00 2.10 C ATOM 25 CG ASN A 2 7.199 -1.760 6.102 1.00 23.14 C ATOM 26 OD1 ASN A 2 7.600 -2.893 6.369 1.00 52.51 O ATOM 27 ND2 ASN A 2 7.340 -0.737 6.937 1.00 44.31 N ATOM 28 H ASN A 2 6.306 -2.334 2.372 1.00 61.34 H ATOM 29 HA ASN A 2 5.734 -3.455 4.966 1.00 53.44 H ATOM 30 HB2 ASN A 2 7.279 -1.332 4.028 1.00 40.33 H ATOM 31 HB3 ASN A 2 5.955 -0.547 4.882 1.00 12.21 H ATOM 32 HD21 ASN A 2 6.998 0.139 6.659 1.00 53.43 H ATOM 33 HD22 ASN A 2 7.781 -0.898 7.799 1.00 73.43 H ATOM 34 N SER A 3 3.718 -1.146 3.690 1.00 42.11 N ATOM 35 CA SER A 3 2.348 -0.627 3.719 1.00 74.40 C ATOM 36 C SER A 3 1.357 -1.607 3.076 1.00 22.03 C ATOM 37 O SER A 3 1.756 -2.576 2.428 1.00 13.21 O ATOM 38 CB SER A 3 2.270 0.732 3.017 1.00 54.01 C ATOM 39 OG SER A 3 3.499 1.439 3.114 1.00 54.02 O ATOM 40 H SER A 3 4.365 -0.741 3.075 1.00 23.43 H ATOM 41 HA SER A 3 2.072 -0.497 4.755 1.00 32.23 H ATOM 42 HB2 SER A 3 2.028 0.587 1.977 1.00 4.21 H ATOM 43 HB3 SER A 3 1.500 1.326 3.482 1.00 34.24 H ATOM 44 N PRO A 4 0.041 -1.364 3.264 1.00 31.15 N ATOM 45 CA PRO A 4 -1.025 -2.230 2.723 1.00 64.31 C ATOM 46 C PRO A 4 -1.048 -2.308 1.207 1.00 4.22 C ATOM 47 O PRO A 4 -0.767 -1.327 0.518 1.00 52.33 O ATOM 48 CB PRO A 4 -2.325 -1.555 3.188 1.00 52.41 C ATOM 49 CG PRO A 4 -1.944 -0.168 3.567 1.00 73.52 C ATOM 50 CD PRO A 4 -0.513 -0.234 4.033 1.00 73.10 C ATOM 51 HA PRO A 4 -0.972 -3.226 3.134 1.00 72.44 H ATOM 52 HB2 PRO A 4 -3.038 -1.547 2.371 1.00 15.20 H ATOM 53 HB3 PRO A 4 -2.740 -2.095 4.023 1.00 64.14 H ATOM 54 HG2 PRO A 4 -2.032 0.483 2.704 1.00 64.11 H ATOM 55 HG3 PRO A 4 -2.585 0.179 4.361 1.00 75.14 H ATOM 56 HD2 PRO A 4 -0.005 0.683 3.793 1.00 4.40 H ATOM 57 HD3 PRO A 4 -0.465 -0.428 5.095 1.00 1.53 H ATOM 58 N ASN A 5 -1.464 -3.461 0.692 1.00 20.23 N ATOM 59 CA ASN A 5 -1.612 -3.637 -0.712 1.00 31.45 C ATOM 60 C ASN A 5 -2.932 -3.008 -1.073 1.00 65.33 C ATOM 61 O ASN A 5 -3.898 -3.685 -1.427 1.00 32.40 O ATOM 62 CB ASN A 5 -1.587 -5.114 -1.096 1.00 13.22 C ATOM 63 CG ASN A 5 -1.825 -6.069 0.073 1.00 4.01 C ATOM 64 OD1 ASN A 5 -2.897 -6.658 0.198 1.00 72.34 O ATOM 65 ND2 ASN A 5 -0.821 -6.221 0.933 1.00 41.24 N ATOM 66 H ASN A 5 -1.730 -4.181 1.271 1.00 22.44 H ATOM 67 HA ASN A 5 -0.818 -3.113 -1.207 1.00 63.01 H ATOM 68 HB2 ASN A 5 -2.355 -5.284 -1.824 1.00 71.32 H ATOM 69 HB3 ASN A 5 -0.626 -5.334 -1.524 1.00 62.20 H ATOM 70 HD21 ASN A 5 0.007 -5.720 0.774 1.00 41.25 H ATOM 71 HD22 ASN A 5 -0.946 -6.831 1.689 1.00 14.23 H ATOM 72 N ILE A 6 -2.966 -1.698 -0.940 1.00 14.20 N ATOM 73 CA ILE A 6 -4.153 -0.954 -1.211 1.00 73.34 C ATOM 74 C ILE A 6 -4.446 -1.017 -2.695 1.00 32.43 C ATOM 75 O ILE A 6 -4.153 -2.003 -3.377 1.00 73.33 O ATOM 76 CB ILE A 6 -4.060 0.522 -0.754 1.00 23.50 C ATOM 77 CG1 ILE A 6 -3.036 0.752 0.321 1.00 43.25 C ATOM 78 CG2 ILE A 6 -5.399 1.031 -0.293 1.00 61.22 C ATOM 79 CD1 ILE A 6 -1.980 1.649 -0.208 1.00 74.20 C ATOM 80 H ILE A 6 -2.173 -1.224 -0.657 1.00 4.35 H ATOM 81 HA ILE A 6 -4.948 -1.396 -0.671 1.00 73.23 H ATOM 82 HB ILE A 6 -3.767 1.110 -1.600 1.00 4.20 H ATOM 83 HG12 ILE A 6 -3.499 1.233 1.173 1.00 65.10 H ATOM 84 HG13 ILE A 6 -2.585 -0.171 0.629 1.00 14.11 H ATOM 85 HG21 ILE A 6 -5.592 1.990 -0.754 1.00 3.30 H ATOM 86 HG22 ILE A 6 -5.389 1.142 0.779 1.00 72.44 H ATOM 87 HG23 ILE A 6 -6.158 0.325 -0.578 1.00 11.03 H ATOM 88 HD11 ILE A 6 -2.128 2.633 0.191 1.00 30.34 H ATOM 89 HD12 ILE A 6 -2.065 1.686 -1.297 1.00 64.32 H ATOM 90 HD13 ILE A 6 -1.021 1.273 0.068 1.00 31.40 H ATOM 91 N PHE A 7 -4.973 0.058 -3.190 1.00 24.30 N ATOM 92 CA PHE A 7 -5.275 0.217 -4.581 1.00 33.01 C ATOM 93 C PHE A 7 -4.075 -0.171 -5.437 1.00 22.42 C ATOM 94 O PHE A 7 -3.953 -1.303 -5.909 1.00 33.30 O ATOM 95 CB PHE A 7 -5.657 1.676 -4.752 1.00 71.42 C ATOM 96 CG PHE A 7 -7.071 1.913 -4.309 1.00 3.30 C ATOM 97 CD1 PHE A 7 -8.087 1.095 -4.766 1.00 15.35 C ATOM 98 CD2 PHE A 7 -7.374 2.911 -3.395 1.00 73.15 C ATOM 99 CE1 PHE A 7 -9.383 1.260 -4.321 1.00 45.22 C ATOM 100 CE2 PHE A 7 -8.673 3.089 -2.954 1.00 74.22 C ATOM 101 CZ PHE A 7 -9.676 2.261 -3.416 1.00 32.23 C ATOM 102 H PHE A 7 -5.145 0.796 -2.597 1.00 23.20 H ATOM 103 HA PHE A 7 -6.106 -0.400 -4.834 1.00 0.34 H ATOM 104 HB2 PHE A 7 -4.999 2.279 -4.123 1.00 23.15 H ATOM 105 HB3 PHE A 7 -5.549 1.968 -5.773 1.00 35.24 H ATOM 106 HD1 PHE A 7 -7.859 0.316 -5.480 1.00 73.32 H ATOM 107 HD2 PHE A 7 -6.591 3.561 -3.035 1.00 63.44 H ATOM 108 HE1 PHE A 7 -10.167 0.610 -4.687 1.00 71.44 H ATOM 109 HE2 PHE A 7 -8.903 3.869 -2.245 1.00 4.45 H ATOM 110 HZ PHE A 7 -10.681 2.384 -3.058 1.00 61.01 H ATOM 111 N GLY A 8 -3.180 0.768 -5.590 1.00 32.41 N ATOM 112 CA GLY A 8 -1.972 0.531 -6.343 1.00 14.32 C ATOM 113 C GLY A 8 -0.792 1.128 -5.633 1.00 25.13 C ATOM 114 O GLY A 8 0.082 1.735 -6.250 1.00 13.23 O ATOM 115 H GLY A 8 -3.330 1.629 -5.162 1.00 15.12 H ATOM 116 HA2 GLY A 8 -1.823 -0.536 -6.444 1.00 25.15 H ATOM 117 HA3 GLY A 8 -2.060 0.976 -7.320 1.00 63.14 H ATOM 118 N GLN A 9 -0.784 0.982 -4.316 1.00 50.11 N ATOM 119 CA GLN A 9 0.249 1.518 -3.513 1.00 43.12 C ATOM 120 C GLN A 9 0.529 0.610 -2.354 1.00 43.32 C ATOM 121 O GLN A 9 -0.349 0.295 -1.560 1.00 3.23 O ATOM 122 CB GLN A 9 -0.146 2.861 -2.998 1.00 13.23 C ATOM 123 CG GLN A 9 -1.513 3.354 -3.464 1.00 65.21 C ATOM 124 CD GLN A 9 -1.490 3.881 -4.888 1.00 25.51 C ATOM 125 OE1 GLN A 9 -0.429 4.205 -5.422 1.00 25.31 O ATOM 126 NE2 GLN A 9 -2.660 3.971 -5.511 1.00 4.05 N ATOM 127 H GLN A 9 -1.497 0.519 -3.869 1.00 73.15 H ATOM 128 HA GLN A 9 1.138 1.615 -4.120 1.00 5.35 H ATOM 129 HB2 GLN A 9 -0.148 2.812 -1.927 1.00 63.52 H ATOM 130 HB3 GLN A 9 0.591 3.545 -3.330 1.00 63.34 H ATOM 131 HG2 GLN A 9 -2.214 2.535 -3.409 1.00 45.42 H ATOM 132 HG3 GLN A 9 -1.836 4.148 -2.807 1.00 15.44 H ATOM 133 HE21 GLN A 9 -3.467 3.696 -5.028 1.00 13.43 H ATOM 134 HE22 GLN A 9 -2.669 4.310 -6.432 1.00 4.25 H ATOM 135 N TRP A 10 1.749 0.175 -2.293 1.00 74.12 N ATOM 136 CA TRP A 10 2.212 -0.726 -1.282 1.00 63.12 C ATOM 137 C TRP A 10 2.915 0.017 -0.168 1.00 50.30 C ATOM 138 O TRP A 10 3.513 -0.581 0.724 1.00 42.13 O ATOM 139 CB TRP A 10 3.130 -1.692 -1.973 1.00 15.13 C ATOM 140 CG TRP A 10 2.566 -2.198 -3.277 1.00 73.23 C ATOM 141 CD1 TRP A 10 3.236 -2.634 -4.384 1.00 65.54 C ATOM 142 CD2 TRP A 10 1.186 -2.270 -3.594 1.00 1.30 C ATOM 143 NE1 TRP A 10 2.333 -2.952 -5.381 1.00 31.35 N ATOM 144 CE2 TRP A 10 1.061 -2.732 -4.911 1.00 40.03 C ATOM 145 CE3 TRP A 10 0.048 -1.977 -2.876 1.00 70.42 C ATOM 146 CZ2 TRP A 10 -0.190 -2.894 -5.512 1.00 51.43 C ATOM 147 CZ3 TRP A 10 -1.172 -2.128 -3.457 1.00 75.41 C ATOM 148 CH2 TRP A 10 -1.294 -2.576 -4.757 1.00 43.43 C ATOM 149 H TRP A 10 2.370 0.452 -2.972 1.00 25.23 H ATOM 150 HA TRP A 10 1.379 -1.256 -0.867 1.00 60.41 H ATOM 151 HB2 TRP A 10 4.055 -1.185 -2.180 1.00 14.21 H ATOM 152 HB3 TRP A 10 3.284 -2.496 -1.331 1.00 24.14 H ATOM 153 HD1 TRP A 10 4.310 -2.707 -4.460 1.00 13.02 H ATOM 154 HE1 TRP A 10 2.562 -3.279 -6.277 1.00 13.03 H ATOM 155 HE3 TRP A 10 0.116 -1.642 -1.866 1.00 71.22 H ATOM 156 HZ2 TRP A 10 -0.300 -3.241 -6.530 1.00 41.42 H ATOM 157 HZ3 TRP A 10 -2.061 -1.887 -2.905 1.00 33.33 H ATOM 158 HH2 TRP A 10 -2.278 -2.664 -5.154 1.00 73.30 H ATOM 159 N MET A 11 2.809 1.331 -0.239 1.00 51.33 N ATOM 160 CA MET A 11 3.384 2.243 0.728 1.00 42.35 C ATOM 161 C MET A 11 4.132 1.506 1.848 1.00 54.04 C ATOM 162 O MET A 11 5.229 0.994 1.630 1.00 43.34 O ATOM 163 CB MET A 11 2.295 3.179 1.288 1.00 35.13 C ATOM 164 CG MET A 11 0.824 2.758 1.075 1.00 33.12 C ATOM 165 SD MET A 11 -0.319 3.900 1.877 1.00 73.44 S ATOM 166 CE MET A 11 0.416 4.023 3.512 1.00 41.42 C ATOM 167 H MET A 11 2.310 1.702 -0.974 1.00 40.54 H ATOM 168 HA MET A 11 4.106 2.848 0.199 1.00 2.40 H ATOM 169 HB2 MET A 11 2.454 3.275 2.342 1.00 72.32 H ATOM 170 HB3 MET A 11 2.430 4.146 0.822 1.00 41.44 H ATOM 171 HG2 MET A 11 0.600 2.741 0.016 1.00 21.31 H ATOM 172 HG3 MET A 11 0.659 1.772 1.486 1.00 2.21 H ATOM 173 HE1 MET A 11 -0.205 4.639 4.149 1.00 51.55 H ATOM 174 HE2 MET A 11 1.397 4.470 3.436 1.00 71.43 H ATOM 175 HE3 MET A 11 0.501 3.033 3.940 1.00 20.03 H TER 176 MET A 11 ENDMDL MODEL 3 ATOM 1 N GLN A 1 6.887 0.965 7.938 1.00 11.00 N ATOM 2 CA GLN A 1 7.564 1.050 6.616 1.00 43.05 C ATOM 3 C GLN A 1 6.689 0.470 5.503 1.00 21.21 C ATOM 4 O GLN A 1 6.121 1.210 4.700 1.00 22.31 O ATOM 5 CB GLN A 1 8.896 0.293 6.690 1.00 52.53 C ATOM 6 CG GLN A 1 10.047 1.128 7.235 1.00 22.33 C ATOM 7 CD GLN A 1 11.304 1.012 6.391 1.00 4.34 C ATOM 8 OE1 GLN A 1 11.377 0.193 5.475 1.00 64.42 O ATOM 9 NE2 GLN A 1 12.306 1.832 6.698 1.00 14.51 N ATOM 10 H1 GLN A 1 7.619 1.001 8.675 1.00 1.00 H ATOM 11 H2 GLN A 1 6.365 0.066 7.969 1.00 0.00 H ATOM 12 H3 GLN A 1 6.241 1.777 8.014 1.00 0.00 H ATOM 13 HA GLN A 1 7.760 2.090 6.400 1.00 24.40 H ATOM 14 HB2 GLN A 1 8.771 -0.569 7.328 1.00 21.25 H ATOM 15 HB3 GLN A 1 9.159 -0.040 5.698 1.00 33.11 H ATOM 16 HG2 GLN A 1 9.744 2.165 7.260 1.00 73.24 H ATOM 17 HG3 GLN A 1 10.272 0.796 8.237 1.00 12.22 H ATOM 18 HE21 GLN A 1 12.181 2.459 7.440 1.00 1.22 H ATOM 19 HE22 GLN A 1 13.129 1.776 6.166 1.00 72.32 H ATOM 20 N ASN A 2 6.585 -0.858 5.460 1.00 12.10 N ATOM 21 CA ASN A 2 5.781 -1.540 4.444 1.00 4.03 C ATOM 22 C ASN A 2 4.291 -1.240 4.639 1.00 33.03 C ATOM 23 O ASN A 2 3.758 -1.389 5.739 1.00 3.44 O ATOM 24 CB ASN A 2 6.058 -3.047 4.497 1.00 55.10 C ATOM 25 CG ASN A 2 5.148 -3.855 3.594 1.00 12.22 C ATOM 26 OD1 ASN A 2 5.496 -4.159 2.453 1.00 34.20 O ATOM 27 ND2 ASN A 2 3.976 -4.211 4.105 1.00 33.32 N ATOM 28 H ASN A 2 7.064 -1.395 6.128 1.00 4.52 H ATOM 29 HA ASN A 2 6.085 -1.163 3.478 1.00 0.41 H ATOM 30 HB2 ASN A 2 7.079 -3.224 4.191 1.00 34.33 H ATOM 31 HB3 ASN A 2 5.930 -3.393 5.512 1.00 63.03 H ATOM 32 HD21 ASN A 2 3.769 -3.935 5.022 1.00 53.25 H ATOM 33 HD22 ASN A 2 3.369 -4.740 3.546 1.00 42.13 H ATOM 34 N SER A 3 3.633 -0.785 3.571 1.00 24.34 N ATOM 35 CA SER A 3 2.214 -0.423 3.635 1.00 60.10 C ATOM 36 C SER A 3 1.301 -1.462 2.979 1.00 64.31 C ATOM 37 O SER A 3 1.757 -2.346 2.257 1.00 45.20 O ATOM 38 CB SER A 3 2.011 0.934 2.974 1.00 10.50 C ATOM 39 OG SER A 3 3.178 1.726 3.092 1.00 12.87 O ATOM 40 H SER A 3 4.118 -0.666 2.727 1.00 12.33 H ATOM 41 HA SER A 3 1.947 -0.338 4.676 1.00 64.55 H ATOM 42 HB2 SER A 3 1.783 0.792 1.928 1.00 54.30 H ATOM 43 HB3 SER A 3 1.193 1.451 3.452 1.00 62.34 H ATOM 44 N PRO A 4 -0.023 -1.358 3.233 1.00 11.42 N ATOM 45 CA PRO A 4 -1.033 -2.279 2.685 1.00 30.31 C ATOM 46 C PRO A 4 -1.002 -2.407 1.179 1.00 34.13 C ATOM 47 O PRO A 4 -0.665 -1.456 0.469 1.00 4.43 O ATOM 48 CB PRO A 4 -2.376 -1.616 3.050 1.00 4.03 C ATOM 49 CG PRO A 4 -2.035 -0.243 3.518 1.00 1.42 C ATOM 50 CD PRO A 4 -0.651 -0.332 4.084 1.00 24.01 C ATOM 51 HA PRO A 4 -0.977 -3.255 3.137 1.00 10.45 H ATOM 52 HB2 PRO A 4 -3.007 -1.571 2.169 1.00 61.12 H ATOM 53 HB3 PRO A 4 -2.871 -2.183 3.818 1.00 61.43 H ATOM 54 HG2 PRO A 4 -2.057 0.444 2.681 1.00 14.43 H ATOM 55 HG3 PRO A 4 -2.735 0.068 4.276 1.00 21.20 H ATOM 56 HD2 PRO A 4 -0.149 0.615 3.993 1.00 74.35 H ATOM 57 HD3 PRO A 4 -0.680 -0.651 5.116 1.00 1.14 H ATOM 58 N ASN A 5 -1.461 -3.550 0.685 1.00 12.11 N ATOM 59 CA ASN A 5 -1.589 -3.743 -0.716 1.00 41.13 C ATOM 60 C ASN A 5 -2.877 -3.064 -1.101 1.00 5.43 C ATOM 61 O ASN A 5 -3.858 -3.704 -1.484 1.00 74.24 O ATOM 62 CB ASN A 5 -1.647 -5.216 -1.086 1.00 63.23 C ATOM 63 CG ASN A 5 -1.986 -6.133 0.077 1.00 60.32 C ATOM 64 OD1 ASN A 5 -1.149 -6.398 0.939 1.00 73.34 O ATOM 65 ND2 ASN A 5 -3.220 -6.625 0.101 1.00 23.25 N ATOM 66 H ASN A 5 -1.787 -4.242 1.271 1.00 55.40 H ATOM 67 HA ASN A 5 -0.760 -3.267 -1.208 1.00 41.23 H ATOM 68 HB2 ASN A 5 -2.403 -5.340 -1.836 1.00 32.51 H ATOM 69 HB3 ASN A 5 -0.692 -5.502 -1.485 1.00 4.40 H ATOM 70 HD21 ASN A 5 -3.833 -6.372 -0.620 1.00 52.44 H ATOM 71 HD22 ASN A 5 -3.465 -7.223 0.837 1.00 4.14 H ATOM 72 N ILE A 6 -2.880 -1.756 -0.954 1.00 53.20 N ATOM 73 CA ILE A 6 -4.040 -0.980 -1.240 1.00 20.12 C ATOM 74 C ILE A 6 -4.404 -1.059 -2.710 1.00 13.25 C ATOM 75 O ILE A 6 -4.219 -2.074 -3.382 1.00 12.03 O ATOM 76 CB ILE A 6 -3.843 0.493 -0.876 1.00 13.21 C ATOM 77 CG1 ILE A 6 -2.951 0.695 0.318 1.00 12.41 C ATOM 78 CG2 ILE A 6 -5.185 1.147 -0.576 1.00 45.30 C ATOM 79 CD1 ILE A 6 -2.982 2.133 0.675 1.00 75.42 C ATOM 80 H ILE A 6 -2.082 -1.304 -0.634 1.00 13.21 H ATOM 81 HA ILE A 6 -4.850 -1.342 -0.641 1.00 22.43 H ATOM 82 HB ILE A 6 -3.396 0.995 -1.715 1.00 75.10 H ATOM 83 HG12 ILE A 6 -3.307 0.113 1.157 1.00 41.03 H ATOM 84 HG13 ILE A 6 -1.933 0.427 0.081 1.00 34.01 H ATOM 85 HG21 ILE A 6 -5.956 0.681 -1.168 1.00 2.44 H ATOM 86 HG22 ILE A 6 -5.134 2.202 -0.808 1.00 4.12 H ATOM 87 HG23 ILE A 6 -5.411 1.025 0.474 1.00 32.43 H ATOM 88 HD11 ILE A 6 -3.903 2.340 1.199 1.00 61.12 H ATOM 89 HD12 ILE A 6 -2.956 2.709 -0.243 1.00 21.03 H ATOM 90 HD13 ILE A 6 -2.142 2.376 1.282 1.00 14.23 H ATOM 91 N PHE A 7 -4.881 0.060 -3.177 1.00 42.41 N ATOM 92 CA PHE A 7 -5.273 0.283 -4.535 1.00 4.44 C ATOM 93 C PHE A 7 -4.139 -0.072 -5.475 1.00 62.25 C ATOM 94 O PHE A 7 -4.128 -1.126 -6.109 1.00 1.11 O ATOM 95 CB PHE A 7 -5.637 1.760 -4.591 1.00 41.45 C ATOM 96 CG PHE A 7 -7.058 1.978 -4.192 1.00 44.25 C ATOM 97 CD1 PHE A 7 -8.075 1.299 -4.837 1.00 61.35 C ATOM 98 CD2 PHE A 7 -7.372 2.813 -3.134 1.00 12.14 C ATOM 99 CE1 PHE A 7 -9.386 1.450 -4.435 1.00 53.42 C ATOM 100 CE2 PHE A 7 -8.682 2.976 -2.734 1.00 64.23 C ATOM 101 CZ PHE A 7 -9.687 2.291 -3.380 1.00 50.43 C ATOM 102 H PHE A 7 -4.951 0.804 -2.565 1.00 11.35 H ATOM 103 HA PHE A 7 -6.130 -0.308 -4.758 1.00 32.41 H ATOM 104 HB2 PHE A 7 -5.006 2.299 -3.874 1.00 52.44 H ATOM 105 HB3 PHE A 7 -5.479 2.148 -5.571 1.00 43.04 H ATOM 106 HD1 PHE A 7 -7.836 0.644 -5.664 1.00 44.11 H ATOM 107 HD2 PHE A 7 -6.583 3.349 -2.628 1.00 42.54 H ATOM 108 HE1 PHE A 7 -10.173 0.915 -4.947 1.00 42.13 H ATOM 109 HE2 PHE A 7 -8.918 3.634 -1.910 1.00 0.43 H ATOM 110 HZ PHE A 7 -10.704 2.406 -3.057 1.00 23.32 H ATOM 111 N GLY A 8 -3.179 0.809 -5.509 1.00 1.23 N ATOM 112 CA GLY A 8 -2.000 0.623 -6.308 1.00 33.42 C ATOM 113 C GLY A 8 -0.817 1.178 -5.570 1.00 22.11 C ATOM 114 O GLY A 8 0.044 1.837 -6.153 1.00 63.32 O ATOM 115 H GLY A 8 -3.259 1.602 -4.946 1.00 32.12 H ATOM 116 HA2 GLY A 8 -1.851 -0.432 -6.493 1.00 74.34 H ATOM 117 HA3 GLY A 8 -2.112 1.145 -7.246 1.00 42.14 H ATOM 118 N GLN A 9 -0.800 0.951 -4.256 1.00 11.32 N ATOM 119 CA GLN A 9 0.231 1.460 -3.428 1.00 1.41 C ATOM 120 C GLN A 9 0.508 0.544 -2.258 1.00 64.13 C ATOM 121 O GLN A 9 -0.351 0.288 -1.417 1.00 31.35 O ATOM 122 CB GLN A 9 -0.165 2.793 -2.898 1.00 74.11 C ATOM 123 CG GLN A 9 -1.377 3.431 -3.565 1.00 41.42 C ATOM 124 CD GLN A 9 -1.674 4.811 -3.010 1.00 63.43 C ATOM 125 OE1 GLN A 9 -1.155 5.192 -1.962 1.00 2.02 O ATOM 126 NE2 GLN A 9 -2.510 5.572 -3.709 1.00 75.30 N ATOM 127 H GLN A 9 -1.514 0.462 -3.835 1.00 74.13 H ATOM 128 HA GLN A 9 1.123 1.564 -4.022 1.00 54.21 H ATOM 129 HB2 GLN A 9 -0.377 2.676 -1.852 1.00 42.33 H ATOM 130 HB3 GLN A 9 0.666 3.428 -3.030 1.00 53.34 H ATOM 131 HG2 GLN A 9 -1.190 3.515 -4.626 1.00 5.03 H ATOM 132 HG3 GLN A 9 -2.238 2.799 -3.401 1.00 11.34 H ATOM 133 HE21 GLN A 9 -2.887 5.208 -4.536 1.00 52.12 H ATOM 134 HE22 GLN A 9 -2.712 6.469 -3.369 1.00 31.34 H ATOM 135 N TRP A 10 1.721 0.068 -2.235 1.00 1.22 N ATOM 136 CA TRP A 10 2.219 -0.828 -1.224 1.00 71.53 C ATOM 137 C TRP A 10 2.942 -0.060 -0.133 1.00 33.24 C ATOM 138 O TRP A 10 3.536 -0.637 0.778 1.00 41.25 O ATOM 139 CB TRP A 10 3.135 -1.773 -1.934 1.00 15.41 C ATOM 140 CG TRP A 10 2.550 -2.281 -3.219 1.00 71.05 C ATOM 141 CD1 TRP A 10 3.209 -2.738 -4.323 1.00 34.32 C ATOM 142 CD2 TRP A 10 1.165 -2.331 -3.534 1.00 25.45 C ATOM 143 NE1 TRP A 10 2.302 -3.073 -5.304 1.00 31.10 N ATOM 144 CE2 TRP A 10 1.035 -2.825 -4.835 1.00 72.13 C ATOM 145 CE3 TRP A 10 0.027 -2.002 -2.823 1.00 42.42 C ATOM 146 CZ2 TRP A 10 -0.213 -2.986 -5.437 1.00 62.43 C ATOM 147 CZ3 TRP A 10 -1.196 -2.155 -3.408 1.00 53.14 C ATOM 148 CH2 TRP A 10 -1.314 -2.635 -4.695 1.00 11.21 C ATOM 149 H TRP A 10 2.324 0.325 -2.941 1.00 5.21 H ATOM 150 HA TRP A 10 1.404 -1.377 -0.787 1.00 64.22 H ATOM 151 HB2 TRP A 10 4.044 -1.249 -2.165 1.00 54.31 H ATOM 152 HB3 TRP A 10 3.324 -2.582 -1.301 1.00 72.14 H ATOM 153 HD1 TRP A 10 4.283 -2.820 -4.398 1.00 11.42 H ATOM 154 HE1 TRP A 10 2.524 -3.424 -6.191 1.00 65.53 H ATOM 155 HE3 TRP A 10 0.097 -1.639 -1.822 1.00 33.52 H ATOM 156 HZ2 TRP A 10 -0.322 -3.362 -6.441 1.00 32.53 H ATOM 157 HZ3 TRP A 10 -2.085 -1.883 -2.872 1.00 64.32 H ATOM 158 HH2 TRP A 10 -2.297 -2.723 -5.098 1.00 62.13 H ATOM 159 N MET A 11 2.848 1.256 -0.258 1.00 50.24 N ATOM 160 CA MET A 11 3.429 2.223 0.658 1.00 22.23 C ATOM 161 C MET A 11 3.972 1.583 1.928 1.00 15.24 C ATOM 162 O MET A 11 5.044 0.985 1.915 1.00 3.23 O ATOM 163 CB MET A 11 2.382 3.288 1.008 1.00 33.43 C ATOM 164 CG MET A 11 0.930 2.901 0.719 1.00 63.03 C ATOM 165 SD MET A 11 -0.243 4.122 1.340 1.00 55.33 S ATOM 166 CE MET A 11 -0.363 3.627 3.057 1.00 52.33 C ATOM 167 H MET A 11 2.347 1.595 -1.011 1.00 22.13 H ATOM 168 HA MET A 11 4.249 2.708 0.146 1.00 25.35 H ATOM 169 HB2 MET A 11 2.463 3.512 2.054 1.00 2.34 H ATOM 170 HB3 MET A 11 2.610 4.175 0.440 1.00 41.33 H ATOM 171 HG2 MET A 11 0.801 2.812 -0.348 1.00 2.45 H ATOM 172 HG3 MET A 11 0.708 1.953 1.182 1.00 42.24 H ATOM 173 HE1 MET A 11 -0.772 2.631 3.116 1.00 42.02 H ATOM 174 HE2 MET A 11 -1.008 4.312 3.584 1.00 12.42 H ATOM 175 HE3 MET A 11 0.618 3.632 3.506 1.00 71.54 H TER 176 MET A 11 ENDMDL MODEL 4 ATOM 1 N GLN A 1 8.075 -0.042 8.366 1.00 62.20 N ATOM 2 CA GLN A 1 7.548 -1.273 7.720 1.00 22.13 C ATOM 3 C GLN A 1 6.735 -0.936 6.471 1.00 42.51 C ATOM 4 O GLN A 1 6.303 0.204 6.290 1.00 42.14 O ATOM 5 CB GLN A 1 6.700 -2.035 8.742 1.00 44.23 C ATOM 6 CG GLN A 1 5.545 -1.228 9.310 1.00 72.24 C ATOM 7 CD GLN A 1 4.788 -1.982 10.386 1.00 65.42 C ATOM 8 OE1 GLN A 1 4.775 -3.213 10.405 1.00 34.34 O ATOM 9 NE2 GLN A 1 4.153 -1.245 11.291 1.00 4.32 N ATOM 10 H1 GLN A 1 7.338 0.688 8.306 1.00 12.42 H ATOM 11 H2 GLN A 1 8.930 0.244 7.846 1.00 0.00 H ATOM 12 H3 GLN A 1 8.297 -0.272 9.355 1.00 0.00 H ATOM 13 HA GLN A 1 8.388 -1.888 7.430 1.00 63.34 H ATOM 14 HB2 GLN A 1 6.297 -2.919 8.272 1.00 13.34 H ATOM 15 HB3 GLN A 1 7.336 -2.334 9.563 1.00 64.22 H ATOM 16 HG2 GLN A 1 5.935 -0.315 9.737 1.00 63.40 H ATOM 17 HG3 GLN A 1 4.862 -0.988 8.510 1.00 34.42 H ATOM 18 HE21 GLN A 1 4.208 -0.271 11.215 1.00 63.33 H ATOM 19 HE22 GLN A 1 3.656 -1.709 11.997 1.00 72.35 H ATOM 20 N ASN A 2 6.554 -1.927 5.602 1.00 42.40 N ATOM 21 CA ASN A 2 5.821 -1.731 4.357 1.00 25.34 C ATOM 22 C ASN A 2 4.344 -1.429 4.605 1.00 34.14 C ATOM 23 O ASN A 2 3.819 -1.676 5.691 1.00 24.42 O ATOM 24 CB ASN A 2 5.984 -2.954 3.450 1.00 31.15 C ATOM 25 CG ASN A 2 5.666 -4.261 4.150 1.00 42.02 C ATOM 26 OD1 ASN A 2 4.501 -4.594 4.372 1.00 54.21 O ATOM 27 ND2 ASN A 2 6.705 -5.015 4.495 1.00 61.21 N ATOM 28 H ASN A 2 6.938 -2.807 5.794 1.00 32.42 H ATOM 29 HA ASN A 2 6.258 -0.878 3.860 1.00 40.30 H ATOM 30 HB2 ASN A 2 5.325 -2.854 2.602 1.00 10.53 H ATOM 31 HB3 ASN A 2 7.005 -2.996 3.100 1.00 3.41 H ATOM 32 HD21 ASN A 2 7.604 -4.689 4.283 1.00 52.11 H ATOM 33 HD22 ASN A 2 6.529 -5.868 4.944 1.00 13.43 H ATOM 34 N SER A 3 3.688 -0.865 3.592 1.00 64.42 N ATOM 35 CA SER A 3 2.276 -0.491 3.692 1.00 3.34 C ATOM 36 C SER A 3 1.351 -1.513 3.020 1.00 25.43 C ATOM 37 O SER A 3 1.808 -2.393 2.285 1.00 2.41 O ATOM 38 CB SER A 3 2.061 0.878 3.051 1.00 32.22 C ATOM 39 OG SER A 3 3.216 1.685 3.146 1.00 42.67 O ATOM 40 H SER A 3 4.172 -0.680 2.761 1.00 22.31 H ATOM 41 HA SER A 3 2.026 -0.430 4.739 1.00 44.53 H ATOM 42 HB2 SER A 3 1.819 0.742 2.009 1.00 10.31 H ATOM 43 HB3 SER A 3 1.245 1.384 3.544 1.00 73.30 H ATOM 44 N PRO A 4 0.026 -1.402 3.277 1.00 25.23 N ATOM 45 CA PRO A 4 -0.994 -2.308 2.719 1.00 41.04 C ATOM 46 C PRO A 4 -0.990 -2.399 1.202 1.00 12.22 C ATOM 47 O PRO A 4 -0.638 -1.448 0.509 1.00 22.43 O ATOM 48 CB PRO A 4 -2.332 -1.665 3.132 1.00 62.53 C ATOM 49 CG PRO A 4 -1.994 -0.302 3.631 1.00 42.35 C ATOM 50 CD PRO A 4 -0.589 -0.389 4.154 1.00 5.43 C ATOM 51 HA PRO A 4 -0.928 -3.297 3.142 1.00 3.24 H ATOM 52 HB2 PRO A 4 -2.984 -1.602 2.266 1.00 44.14 H ATOM 53 HB3 PRO A 4 -2.807 -2.260 3.894 1.00 15.12 H ATOM 54 HG2 PRO A 4 -2.057 0.415 2.819 1.00 33.01 H ATOM 55 HG3 PRO A 4 -2.675 -0.027 4.421 1.00 1.31 H ATOM 56 HD2 PRO A 4 -0.093 0.561 4.059 1.00 43.52 H ATOM 57 HD3 PRO A 4 -0.584 -0.719 5.182 1.00 73.34 H ATOM 58 N ASN A 5 -1.484 -3.523 0.693 1.00 14.22 N ATOM 59 CA ASN A 5 -1.635 -3.700 -0.714 1.00 55.41 C ATOM 60 C ASN A 5 -2.947 -3.043 -1.076 1.00 73.33 C ATOM 61 O ASN A 5 -3.907 -3.705 -1.468 1.00 11.14 O ATOM 62 CB ASN A 5 -1.669 -5.173 -1.092 1.00 73.14 C ATOM 63 CG ASN A 5 -1.960 -6.104 0.075 1.00 25.54 C ATOM 64 OD1 ASN A 5 -1.125 -6.927 0.455 1.00 21.32 O ATOM 65 ND2 ASN A 5 -3.154 -5.977 0.642 1.00 63.12 N ATOM 66 H ASN A 5 -1.815 -4.218 1.277 1.00 15.13 H ATOM 67 HA ASN A 5 -0.824 -3.207 -1.212 1.00 30.52 H ATOM 68 HB2 ASN A 5 -2.439 -5.312 -1.826 1.00 22.14 H ATOM 69 HB3 ASN A 5 -0.717 -5.436 -1.512 1.00 14.12 H ATOM 70 HD21 ASN A 5 -3.766 -5.303 0.279 1.00 31.30 H ATOM 71 HD22 ASN A 5 -3.372 -6.555 1.403 1.00 41.11 H ATOM 72 N ILE A 6 -2.985 -1.728 -0.913 1.00 34.03 N ATOM 73 CA ILE A 6 -4.179 -0.982 -1.187 1.00 75.20 C ATOM 74 C ILE A 6 -4.440 -1.002 -2.667 1.00 5.34 C ATOM 75 O ILE A 6 -4.146 -1.972 -3.364 1.00 23.33 O ATOM 76 CB ILE A 6 -4.112 0.485 -0.680 1.00 70.11 C ATOM 77 CG1 ILE A 6 -3.113 0.648 0.416 1.00 1.42 C ATOM 78 CG2 ILE A 6 -5.470 0.985 -0.214 1.00 32.30 C ATOM 79 CD1 ILE A 6 -1.938 1.388 -0.108 1.00 11.23 C ATOM 80 H ILE A 6 -2.194 -1.256 -0.609 1.00 31.32 H ATOM 81 HA ILE A 6 -4.980 -1.451 -0.681 1.00 4.01 H ATOM 82 HB ILE A 6 -3.791 1.106 -1.493 1.00 40.12 H ATOM 83 HG12 ILE A 6 -3.548 1.213 1.230 1.00 72.14 H ATOM 84 HG13 ILE A 6 -2.785 -0.309 0.770 1.00 20.32 H ATOM 85 HG21 ILE A 6 -5.672 1.943 -0.674 1.00 54.31 H ATOM 86 HG22 ILE A 6 -5.469 1.102 0.864 1.00 53.22 H ATOM 87 HG23 ILE A 6 -6.227 0.275 -0.500 1.00 62.43 H ATOM 88 HD11 ILE A 6 -1.089 0.743 -0.073 1.00 60.31 H ATOM 89 HD12 ILE A 6 -1.777 2.261 0.487 1.00 74.51 H ATOM 90 HD13 ILE A 6 -2.133 1.679 -1.141 1.00 31.41 H ATOM 91 N PHE A 7 -4.956 0.089 -3.139 1.00 12.31 N ATOM 92 CA PHE A 7 -5.244 0.287 -4.526 1.00 13.30 C ATOM 93 C PHE A 7 -4.060 -0.116 -5.393 1.00 1.44 C ATOM 94 O PHE A 7 -3.963 -1.250 -5.864 1.00 3.14 O ATOM 95 CB PHE A 7 -5.581 1.756 -4.652 1.00 33.41 C ATOM 96 CG PHE A 7 -7.005 2.000 -4.252 1.00 65.32 C ATOM 97 CD1 PHE A 7 -7.319 2.268 -2.928 1.00 63.21 C ATOM 98 CD2 PHE A 7 -8.032 1.898 -5.174 1.00 0.34 C ATOM 99 CE1 PHE A 7 -8.629 2.433 -2.531 1.00 23.41 C ATOM 100 CE2 PHE A 7 -9.347 2.072 -4.781 1.00 50.13 C ATOM 101 CZ PHE A 7 -9.642 2.336 -3.455 1.00 52.23 C ATOM 102 H PHE A 7 -5.136 0.815 -2.523 1.00 11.21 H ATOM 103 HA PHE A 7 -6.097 -0.294 -4.799 1.00 54.24 H ATOM 104 HB2 PHE A 7 -4.931 2.309 -3.972 1.00 72.24 H ATOM 105 HB3 PHE A 7 -5.422 2.094 -5.658 1.00 42.31 H ATOM 106 HD1 PHE A 7 -6.526 2.351 -2.203 1.00 20.21 H ATOM 107 HD2 PHE A 7 -7.800 1.690 -6.208 1.00 13.34 H ATOM 108 HE1 PHE A 7 -8.861 2.639 -1.495 1.00 34.41 H ATOM 109 HE2 PHE A 7 -10.144 1.995 -5.507 1.00 2.15 H ATOM 110 HZ PHE A 7 -10.661 2.459 -3.140 1.00 4.24 H ATOM 111 N GLY A 8 -3.158 0.815 -5.567 1.00 30.24 N ATOM 112 CA GLY A 8 -1.965 0.570 -6.345 1.00 3.00 C ATOM 113 C GLY A 8 -0.767 1.134 -5.645 1.00 3.42 C ATOM 114 O GLY A 8 0.108 1.734 -6.269 1.00 24.23 O ATOM 115 H GLY A 8 -3.292 1.681 -5.143 1.00 0.53 H ATOM 116 HA2 GLY A 8 -1.834 -0.494 -6.484 1.00 10.14 H ATOM 117 HA3 GLY A 8 -2.067 1.047 -7.304 1.00 53.24 H ATOM 118 N GLN A 9 -0.750 0.972 -4.330 1.00 14.33 N ATOM 119 CA GLN A 9 0.292 1.485 -3.530 1.00 4.44 C ATOM 120 C GLN A 9 0.563 0.563 -2.378 1.00 22.44 C ATOM 121 O GLN A 9 -0.322 0.229 -1.608 1.00 14.04 O ATOM 122 CB GLN A 9 -0.095 2.828 -2.992 1.00 42.45 C ATOM 123 CG GLN A 9 -1.482 3.318 -3.385 1.00 32.23 C ATOM 124 CD GLN A 9 -1.511 3.919 -4.775 1.00 41.41 C ATOM 125 OE1 GLN A 9 -2.294 3.503 -5.628 1.00 14.31 O ATOM 126 NE2 GLN A 9 -0.652 4.906 -5.010 1.00 73.41 N ATOM 127 H GLN A 9 -1.470 0.510 -3.880 1.00 2.12 H ATOM 128 HA GLN A 9 1.179 1.581 -4.134 1.00 54.40 H ATOM 129 HB2 GLN A 9 -0.050 2.774 -1.921 1.00 51.34 H ATOM 130 HB3 GLN A 9 0.621 3.521 -3.352 1.00 2.12 H ATOM 131 HG2 GLN A 9 -2.174 2.488 -3.352 1.00 52.02 H ATOM 132 HG3 GLN A 9 -1.795 4.072 -2.677 1.00 3.22 H ATOM 133 HE21 GLN A 9 -0.056 5.184 -4.282 1.00 62.24 H ATOM 134 HE22 GLN A 9 -0.648 5.314 -5.900 1.00 12.23 H ATOM 135 N TRP A 10 1.788 0.145 -2.299 1.00 3.23 N ATOM 136 CA TRP A 10 2.249 -0.762 -1.289 1.00 62.30 C ATOM 137 C TRP A 10 2.954 -0.017 -0.176 1.00 54.12 C ATOM 138 O TRP A 10 3.600 -0.609 0.688 1.00 71.02 O ATOM 139 CB TRP A 10 3.162 -1.716 -1.984 1.00 31.21 C ATOM 140 CG TRP A 10 2.583 -2.217 -3.281 1.00 35.41 C ATOM 141 CD1 TRP A 10 3.245 -2.644 -4.395 1.00 4.33 C ATOM 142 CD2 TRP A 10 1.197 -2.288 -3.590 1.00 30.14 C ATOM 143 NE1 TRP A 10 2.335 -2.964 -5.384 1.00 61.42 N ATOM 144 CE2 TRP A 10 1.068 -2.749 -4.905 1.00 34.24 C ATOM 145 CE3 TRP A 10 0.058 -1.996 -2.868 1.00 42.50 C ATOM 146 CZ2 TRP A 10 -0.182 -2.912 -5.504 1.00 62.51 C ATOM 147 CZ3 TRP A 10 -1.167 -2.153 -3.448 1.00 55.05 C ATOM 148 CH2 TRP A 10 -1.287 -2.599 -4.750 1.00 21.21 C ATOM 149 H TRP A 10 2.418 0.441 -2.964 1.00 51.45 H ATOM 150 HA TRP A 10 1.416 -1.294 -0.877 1.00 73.03 H ATOM 151 HB2 TRP A 10 4.081 -1.202 -2.200 1.00 15.21 H ATOM 152 HB3 TRP A 10 3.328 -2.524 -1.348 1.00 2.45 H ATOM 153 HD1 TRP A 10 4.319 -2.713 -4.477 1.00 34.45 H ATOM 154 HE1 TRP A 10 2.559 -3.291 -6.279 1.00 0.10 H ATOM 155 HE3 TRP A 10 0.127 -1.663 -1.855 1.00 21.01 H ATOM 156 HZ2 TRP A 10 -0.293 -3.262 -6.521 1.00 44.12 H ATOM 157 HZ3 TRP A 10 -2.056 -1.910 -2.897 1.00 12.12 H ATOM 158 HH2 TRP A 10 -2.270 -2.689 -5.148 1.00 41.44 H ATOM 159 N MET A 11 2.793 1.290 -0.236 1.00 14.01 N ATOM 160 CA MET A 11 3.358 2.237 0.706 1.00 1.21 C ATOM 161 C MET A 11 3.954 1.569 1.949 1.00 53.13 C ATOM 162 O MET A 11 5.022 0.962 1.882 1.00 4.02 O ATOM 163 CB MET A 11 2.298 3.295 1.089 1.00 42.44 C ATOM 164 CG MET A 11 0.807 2.876 1.009 1.00 13.10 C ATOM 165 SD MET A 11 -0.285 4.116 1.749 1.00 33.33 S ATOM 166 CE MET A 11 0.584 5.643 1.368 1.00 41.43 C ATOM 167 H MET A 11 2.268 1.636 -0.966 1.00 40.33 H ATOM 168 HA MET A 11 4.160 2.744 0.194 1.00 70.15 H ATOM 169 HB2 MET A 11 2.496 3.619 2.094 1.00 52.22 H ATOM 170 HB3 MET A 11 2.432 4.137 0.424 1.00 20.51 H ATOM 171 HG2 MET A 11 0.520 2.745 -0.028 1.00 43.44 H ATOM 172 HG3 MET A 11 0.650 1.945 1.533 1.00 3.04 H ATOM 173 HE1 MET A 11 1.540 5.654 1.874 1.00 41.31 H ATOM 174 HE2 MET A 11 -0.005 6.485 1.699 1.00 24.54 H ATOM 175 HE3 MET A 11 0.742 5.713 0.303 1.00 73.24 H TER 176 MET A 11 ENDMDL MODEL 5 ATOM 1 N GLN A 1 6.792 -3.360 8.495 1.00 53.45 N ATOM 2 CA GLN A 1 7.683 -2.363 7.845 1.00 63.31 C ATOM 3 C GLN A 1 6.946 -1.602 6.747 1.00 22.10 C ATOM 4 O GLN A 1 6.740 -0.392 6.850 1.00 24.34 O ATOM 5 CB GLN A 1 8.896 -3.094 7.257 1.00 55.34 C ATOM 6 CG GLN A 1 10.105 -3.127 8.182 1.00 60.45 C ATOM 7 CD GLN A 1 11.248 -2.263 7.682 1.00 73.13 C ATOM 8 OE1 GLN A 1 11.089 -1.486 6.739 1.00 23.15 O ATOM 9 NE2 GLN A 1 12.412 -2.393 8.311 1.00 32.12 N ATOM 10 H1 GLN A 1 7.149 -3.524 9.457 1.00 73.24 H ATOM 11 H2 GLN A 1 6.825 -4.231 7.926 1.00 0.00 H ATOM 12 H3 GLN A 1 5.833 -2.960 8.516 1.00 0.00 H ATOM 13 HA GLN A 1 8.018 -1.663 8.595 1.00 72.44 H ATOM 14 HB2 GLN A 1 8.613 -4.113 7.035 1.00 10.13 H ATOM 15 HB3 GLN A 1 9.185 -2.603 6.340 1.00 24.02 H ATOM 16 HG2 GLN A 1 9.807 -2.771 9.158 1.00 23.05 H ATOM 17 HG3 GLN A 1 10.452 -4.146 8.262 1.00 52.22 H ATOM 18 HE21 GLN A 1 12.467 -3.031 9.054 1.00 72.51 H ATOM 19 HE22 GLN A 1 13.167 -1.847 8.007 1.00 2.44 H ATOM 20 N ASN A 2 6.563 -2.314 5.689 1.00 31.35 N ATOM 21 CA ASN A 2 5.863 -1.695 4.567 1.00 61.03 C ATOM 22 C ASN A 2 4.378 -1.464 4.876 1.00 3.31 C ATOM 23 O ASN A 2 3.922 -1.694 5.997 1.00 54.22 O ATOM 24 CB ASN A 2 6.041 -2.536 3.299 1.00 11.31 C ATOM 25 CG ASN A 2 7.337 -2.208 2.572 1.00 22.30 C ATOM 26 OD1 ASN A 2 8.395 -2.751 2.894 1.00 60.52 O ATOM 27 ND2 ASN A 2 7.265 -1.314 1.589 1.00 35.31 N ATOM 28 H ASN A 2 6.764 -3.273 5.660 1.00 74.04 H ATOM 29 HA ASN A 2 6.323 -0.732 4.402 1.00 10.01 H ATOM 30 HB2 ASN A 2 6.058 -3.582 3.566 1.00 65.13 H ATOM 31 HB3 ASN A 2 5.217 -2.352 2.628 1.00 42.32 H ATOM 32 HD21 ASN A 2 6.394 -0.918 1.384 1.00 43.30 H ATOM 33 HD22 ASN A 2 8.091 -1.087 1.110 1.00 70.14 H ATOM 34 N SER A 3 3.646 -0.962 3.881 1.00 3.04 N ATOM 35 CA SER A 3 2.223 -0.639 4.036 1.00 42.10 C ATOM 36 C SER A 3 1.309 -1.583 3.225 1.00 53.22 C ATOM 37 O SER A 3 1.791 -2.393 2.436 1.00 62.43 O ATOM 38 CB SER A 3 2.023 0.814 3.610 1.00 54.32 C ATOM 39 OG SER A 3 2.178 0.949 2.204 1.00 39.28 O ATOM 40 H SER A 3 4.081 -0.773 3.025 1.00 54.52 H ATOM 41 HA SER A 3 1.976 -0.730 5.083 1.00 73.51 H ATOM 42 HB2 SER A 3 1.035 1.141 3.886 1.00 71.52 H ATOM 43 HB3 SER A 3 2.756 1.431 4.108 1.00 71.44 H ATOM 44 N PRO A 4 -0.037 -1.500 3.432 1.00 30.44 N ATOM 45 CA PRO A 4 -1.037 -2.357 2.750 1.00 33.41 C ATOM 46 C PRO A 4 -0.968 -2.381 1.236 1.00 50.01 C ATOM 47 O PRO A 4 -0.589 -1.402 0.589 1.00 40.34 O ATOM 48 CB PRO A 4 -2.386 -1.713 3.123 1.00 4.42 C ATOM 49 CG PRO A 4 -2.036 -0.381 3.676 1.00 42.14 C ATOM 50 CD PRO A 4 -0.720 -0.586 4.367 1.00 2.45 C ATOM 51 HA PRO A 4 -1.017 -3.370 3.126 1.00 3.00 H ATOM 52 HB2 PRO A 4 -3.001 -1.615 2.232 1.00 50.04 H ATOM 53 HB3 PRO A 4 -2.899 -2.324 3.848 1.00 2.11 H ATOM 54 HG2 PRO A 4 -1.940 0.339 2.871 1.00 3.14 H ATOM 55 HG3 PRO A 4 -2.793 -0.065 4.375 1.00 44.34 H ATOM 56 HD2 PRO A 4 -0.194 0.347 4.474 1.00 34.21 H ATOM 57 HD3 PRO A 4 -0.865 -1.056 5.329 1.00 11.45 H ATOM 58 N ASN A 5 -1.457 -3.484 0.682 1.00 3.34 N ATOM 59 CA ASN A 5 -1.583 -3.632 -0.726 1.00 71.31 C ATOM 60 C ASN A 5 -2.907 -2.998 -1.071 1.00 2.31 C ATOM 61 O ASN A 5 -3.873 -3.671 -1.439 1.00 23.32 O ATOM 62 CB ASN A 5 -1.571 -5.103 -1.127 1.00 60.01 C ATOM 63 CG ASN A 5 -1.865 -6.058 0.026 1.00 25.22 C ATOM 64 OD1 ASN A 5 -2.738 -5.796 0.853 1.00 43.32 O ATOM 65 ND2 ASN A 5 -1.136 -7.171 0.085 1.00 31.11 N ATOM 66 H ASN A 5 -1.814 -4.184 1.238 1.00 40.10 H ATOM 67 HA ASN A 5 -0.783 -3.102 -1.205 1.00 41.53 H ATOM 68 HB2 ASN A 5 -2.323 -5.251 -1.879 1.00 62.52 H ATOM 69 HB3 ASN A 5 -0.604 -5.337 -1.529 1.00 1.44 H ATOM 70 HD21 ASN A 5 -0.458 -7.319 -0.607 1.00 2.43 H ATOM 71 HD22 ASN A 5 -1.310 -7.797 0.820 1.00 42.21 H ATOM 72 N ILE A 6 -2.950 -1.685 -0.909 1.00 41.40 N ATOM 73 CA ILE A 6 -4.145 -0.940 -1.156 1.00 11.42 C ATOM 74 C ILE A 6 -4.433 -0.980 -2.641 1.00 54.51 C ATOM 75 O ILE A 6 -4.178 -1.973 -3.320 1.00 1.10 O ATOM 76 CB ILE A 6 -4.038 0.528 -0.667 1.00 42.03 C ATOM 77 CG1 ILE A 6 -3.034 0.687 0.435 1.00 60.14 C ATOM 78 CG2 ILE A 6 -5.365 1.108 -0.228 1.00 71.20 C ATOM 79 CD1 ILE A 6 -1.879 1.452 -0.092 1.00 23.24 C ATOM 80 H ILE A 6 -2.153 -1.212 -0.618 1.00 71.20 H ATOM 81 HA ILE A 6 -4.939 -1.399 -0.626 1.00 50.41 H ATOM 82 HB ILE A 6 -3.695 1.116 -1.489 1.00 45.22 H ATOM 83 HG12 ILE A 6 -3.472 1.237 1.254 1.00 73.34 H ATOM 84 HG13 ILE A 6 -2.691 -0.273 0.779 1.00 51.45 H ATOM 85 HG21 ILE A 6 -5.393 1.147 0.846 1.00 72.34 H ATOM 86 HG22 ILE A 6 -6.169 0.494 -0.592 1.00 70.23 H ATOM 87 HG23 ILE A 6 -5.462 2.108 -0.626 1.00 62.31 H ATOM 88 HD11 ILE A 6 -0.989 0.870 0.019 1.00 64.23 H ATOM 89 HD12 ILE A 6 -1.800 2.381 0.432 1.00 52.52 H ATOM 90 HD13 ILE A 6 -2.054 1.647 -1.145 1.00 22.33 H ATOM 91 N PHE A 7 -4.925 0.111 -3.128 1.00 22.13 N ATOM 92 CA PHE A 7 -5.238 0.288 -4.519 1.00 71.02 C ATOM 93 C PHE A 7 -4.072 -0.112 -5.406 1.00 15.30 C ATOM 94 O PHE A 7 -4.001 -1.232 -5.907 1.00 3.41 O ATOM 95 CB PHE A 7 -5.593 1.749 -4.674 1.00 23.41 C ATOM 96 CG PHE A 7 -7.006 2.020 -4.242 1.00 14.12 C ATOM 97 CD1 PHE A 7 -7.526 1.368 -3.129 1.00 22.00 C ATOM 98 CD2 PHE A 7 -7.813 2.907 -4.928 1.00 61.22 C ATOM 99 CE1 PHE A 7 -8.814 1.594 -2.715 1.00 32.30 C ATOM 100 CE2 PHE A 7 -9.112 3.139 -4.513 1.00 74.52 C ATOM 101 CZ PHE A 7 -9.607 2.480 -3.400 1.00 43.44 C ATOM 102 H PHE A 7 -5.073 0.852 -2.523 1.00 11.25 H ATOM 103 HA PHE A 7 -6.086 -0.308 -4.764 1.00 73.22 H ATOM 104 HB2 PHE A 7 -4.925 2.332 -4.037 1.00 25.43 H ATOM 105 HB3 PHE A 7 -5.469 2.048 -5.693 1.00 74.23 H ATOM 106 HD1 PHE A 7 -6.910 0.670 -2.588 1.00 63.12 H ATOM 107 HD2 PHE A 7 -7.424 3.419 -5.797 1.00 33.41 H ATOM 108 HE1 PHE A 7 -9.202 1.081 -1.845 1.00 62.14 H ATOM 109 HE2 PHE A 7 -9.736 3.832 -5.053 1.00 74.40 H ATOM 110 HZ PHE A 7 -10.610 2.658 -3.066 1.00 74.35 H ATOM 111 N GLY A 8 -3.157 0.810 -5.568 1.00 13.30 N ATOM 112 CA GLY A 8 -1.976 0.570 -6.359 1.00 62.22 C ATOM 113 C GLY A 8 -0.772 1.136 -5.660 1.00 53.04 C ATOM 114 O GLY A 8 0.108 1.730 -6.289 1.00 53.14 O ATOM 115 H GLY A 8 -3.276 1.669 -5.122 1.00 40.42 H ATOM 116 HA2 GLY A 8 -1.843 -0.493 -6.499 1.00 43.00 H ATOM 117 HA3 GLY A 8 -2.084 1.050 -7.321 1.00 44.22 H ATOM 118 N GLN A 9 -0.752 0.978 -4.340 1.00 30.34 N ATOM 119 CA GLN A 9 0.300 1.489 -3.542 1.00 24.43 C ATOM 120 C GLN A 9 0.616 0.558 -2.412 1.00 14.03 C ATOM 121 O GLN A 9 -0.219 0.272 -1.564 1.00 23.41 O ATOM 122 CB GLN A 9 -0.091 2.799 -2.948 1.00 75.10 C ATOM 123 CG GLN A 9 -1.441 3.332 -3.388 1.00 20.02 C ATOM 124 CD GLN A 9 -1.686 4.738 -2.885 1.00 44.21 C ATOM 125 OE1 GLN A 9 -1.719 5.691 -3.663 1.00 2.22 O ATOM 126 NE2 GLN A 9 -1.847 4.876 -1.574 1.00 64.43 N ATOM 127 H GLN A 9 -1.473 0.524 -3.887 1.00 14.12 H ATOM 128 HA GLN A 9 1.174 1.624 -4.159 1.00 52.04 H ATOM 129 HB2 GLN A 9 -0.111 2.678 -1.879 1.00 11.04 H ATOM 130 HB3 GLN A 9 0.655 3.498 -3.218 1.00 43.01 H ATOM 131 HG2 GLN A 9 -1.480 3.335 -4.467 1.00 53.32 H ATOM 132 HG3 GLN A 9 -2.215 2.685 -3.000 1.00 44.34 H ATOM 133 HE21 GLN A 9 -1.800 4.072 -1.016 1.00 1.41 H ATOM 134 HE22 GLN A 9 -2.004 5.775 -1.219 1.00 42.05 H ATOM 135 N TRP A 10 1.826 0.113 -2.411 1.00 23.15 N ATOM 136 CA TRP A 10 2.333 -0.777 -1.413 1.00 13.22 C ATOM 137 C TRP A 10 2.985 0.035 -0.318 1.00 11.33 C ATOM 138 O TRP A 10 3.583 -0.484 0.625 1.00 64.41 O ATOM 139 CB TRP A 10 3.270 -1.696 -2.131 1.00 42.50 C ATOM 140 CG TRP A 10 2.653 -2.220 -3.412 1.00 20.41 C ATOM 141 CD1 TRP A 10 3.277 -2.662 -4.548 1.00 72.13 C ATOM 142 CD2 TRP A 10 1.252 -2.287 -3.684 1.00 14.23 C ATOM 143 NE1 TRP A 10 2.332 -2.982 -5.509 1.00 71.24 N ATOM 144 CE2 TRP A 10 1.080 -2.754 -4.991 1.00 73.34 C ATOM 145 CE3 TRP A 10 0.132 -1.987 -2.929 1.00 44.21 C ATOM 146 CZ2 TRP A 10 -0.193 -2.912 -5.553 1.00 43.44 C ATOM 147 CZ3 TRP A 10 -1.110 -2.136 -3.474 1.00 4.04 C ATOM 148 CH2 TRP A 10 -1.271 -2.588 -4.766 1.00 24.22 C ATOM 149 H TRP A 10 2.419 0.397 -3.112 1.00 53.25 H ATOM 150 HA TRP A 10 1.527 -1.340 -0.983 1.00 22.21 H ATOM 151 HB2 TRP A 10 4.156 -1.138 -2.378 1.00 13.52 H ATOM 152 HB3 TRP A 10 3.496 -2.498 -1.500 1.00 51.14 H ATOM 153 HD1 TRP A 10 4.348 -2.741 -4.667 1.00 52.31 H ATOM 154 HE1 TRP A 10 2.524 -3.314 -6.411 1.00 70.24 H ATOM 155 HE3 TRP A 10 0.232 -1.650 -1.923 1.00 42.22 H ATOM 156 HZ2 TRP A 10 -0.337 -3.263 -6.564 1.00 73.52 H ATOM 157 HZ3 TRP A 10 -1.983 -1.886 -2.895 1.00 5.44 H ATOM 158 HH2 TRP A 10 -2.270 -2.670 -5.139 1.00 64.12 H ATOM 159 N MET A 11 2.801 1.331 -0.471 1.00 74.54 N ATOM 160 CA MET A 11 3.281 2.335 0.456 1.00 54.12 C ATOM 161 C MET A 11 3.264 1.815 1.886 1.00 24.24 C ATOM 162 O MET A 11 4.144 2.144 2.686 1.00 65.32 O ATOM 163 CB MET A 11 2.395 3.586 0.357 1.00 5.20 C ATOM 164 CG MET A 11 0.914 3.369 0.711 1.00 64.45 C ATOM 165 SD MET A 11 0.393 4.416 2.087 1.00 75.42 S ATOM 166 CE MET A 11 0.588 6.031 1.358 1.00 35.42 C ATOM 167 H MET A 11 2.302 1.620 -1.247 1.00 13.02 H ATOM 168 HA MET A 11 4.291 2.594 0.176 1.00 70.13 H ATOM 169 HB2 MET A 11 2.787 4.330 1.032 1.00 10.32 H ATOM 170 HB3 MET A 11 2.449 3.967 -0.648 1.00 62.34 H ATOM 171 HG2 MET A 11 0.296 3.601 -0.153 1.00 54.13 H ATOM 172 HG3 MET A 11 0.757 2.336 0.985 1.00 30.33 H ATOM 173 HE1 MET A 11 1.575 6.118 0.924 1.00 71.10 H ATOM 174 HE2 MET A 11 0.462 6.783 2.119 1.00 13.44 H ATOM 175 HE3 MET A 11 -0.161 6.161 0.588 1.00 30.25 H TER 176 MET A 11 ENDMDL MODEL 6 ATOM 1 N GLN A 1 8.281 -3.777 7.677 1.00 3.22 N ATOM 2 CA GLN A 1 7.525 -2.495 7.738 1.00 24.24 C ATOM 3 C GLN A 1 6.905 -2.146 6.386 1.00 23.34 C ATOM 4 O GLN A 1 6.998 -1.008 5.925 1.00 20.53 O ATOM 5 CB GLN A 1 8.478 -1.380 8.181 1.00 12.14 C ATOM 6 CG GLN A 1 9.367 -1.760 9.355 1.00 42.24 C ATOM 7 CD GLN A 1 8.686 -1.560 10.695 1.00 11.22 C ATOM 8 OE1 GLN A 1 7.586 -1.012 10.768 1.00 3.05 O ATOM 9 NE2 GLN A 1 9.337 -2.005 11.763 1.00 13.01 N ATOM 10 H1 GLN A 1 8.201 -4.234 8.608 1.00 64.41 H ATOM 11 H2 GLN A 1 9.271 -3.551 7.454 1.00 0.00 H ATOM 12 H3 GLN A 1 7.855 -4.366 6.936 1.00 0.00 H ATOM 13 HA GLN A 1 6.735 -2.597 8.468 1.00 21.24 H ATOM 14 HB2 GLN A 1 9.113 -1.116 7.349 1.00 12.42 H ATOM 15 HB3 GLN A 1 7.894 -0.516 8.465 1.00 14.34 H ATOM 16 HG2 GLN A 1 9.646 -2.799 9.262 1.00 42.30 H ATOM 17 HG3 GLN A 1 10.257 -1.147 9.327 1.00 71.31 H ATOM 18 HE21 GLN A 1 10.209 -2.432 11.629 1.00 72.12 H ATOM 19 HE22 GLN A 1 8.920 -1.888 12.642 1.00 10.20 H ATOM 20 N ASN A 2 6.266 -3.128 5.759 1.00 3.31 N ATOM 21 CA ASN A 2 5.624 -2.920 4.465 1.00 11.21 C ATOM 22 C ASN A 2 4.240 -2.311 4.651 1.00 0.24 C ATOM 23 O ASN A 2 3.632 -2.452 5.712 1.00 61.42 O ATOM 24 CB ASN A 2 5.521 -4.246 3.715 1.00 31.12 C ATOM 25 CG ASN A 2 6.742 -4.525 2.862 1.00 54.14 C ATOM 26 OD1 ASN A 2 6.706 -4.376 1.639 1.00 54.31 O ATOM 27 ND2 ASN A 2 7.832 -4.931 3.502 1.00 60.12 N ATOM 28 H ASN A 2 6.217 -4.011 6.179 1.00 15.52 H ATOM 29 HA ASN A 2 6.237 -2.237 3.897 1.00 11.41 H ATOM 30 HB2 ASN A 2 5.416 -5.049 4.431 1.00 62.05 H ATOM 31 HB3 ASN A 2 4.652 -4.223 3.076 1.00 14.31 H ATOM 32 HD21 ASN A 2 7.787 -5.024 4.477 1.00 45.21 H ATOM 33 HD22 ASN A 2 8.636 -5.122 2.975 1.00 21.33 H ATOM 34 N SER A 3 3.747 -1.626 3.623 1.00 23.15 N ATOM 35 CA SER A 3 2.439 -0.988 3.699 1.00 3.02 C ATOM 36 C SER A 3 1.334 -1.840 3.077 1.00 4.21 C ATOM 37 O SER A 3 1.588 -2.896 2.499 1.00 73.35 O ATOM 38 CB SER A 3 2.458 0.393 3.030 1.00 22.40 C ATOM 39 OG SER A 3 3.674 0.655 2.362 1.00 37.82 O ATOM 40 H SER A 3 4.279 -1.537 2.804 1.00 70.14 H ATOM 41 HA SER A 3 2.208 -0.855 4.745 1.00 30.24 H ATOM 42 HB2 SER A 3 1.661 0.446 2.308 1.00 42.43 H ATOM 43 HB3 SER A 3 2.304 1.153 3.786 1.00 4.15 H ATOM 44 N PRO A 4 0.076 -1.373 3.217 1.00 63.42 N ATOM 45 CA PRO A 4 -1.112 -2.067 2.704 1.00 23.31 C ATOM 46 C PRO A 4 -1.124 -2.267 1.203 1.00 62.13 C ATOM 47 O PRO A 4 -0.848 -1.338 0.442 1.00 50.32 O ATOM 48 CB PRO A 4 -2.277 -1.125 3.049 1.00 0.44 C ATOM 49 CG PRO A 4 -1.651 0.183 3.375 1.00 24.21 C ATOM 50 CD PRO A 4 -0.287 -0.128 3.918 1.00 73.15 C ATOM 51 HA PRO A 4 -1.264 -3.015 3.196 1.00 32.14 H ATOM 52 HB2 PRO A 4 -2.928 -1.034 2.188 1.00 23.54 H ATOM 53 HB3 PRO A 4 -2.835 -1.519 3.881 1.00 2.11 H ATOM 54 HG2 PRO A 4 -1.571 0.786 2.477 1.00 35.32 H ATOM 55 HG3 PRO A 4 -2.243 0.694 4.117 1.00 63.31 H ATOM 56 HD2 PRO A 4 0.396 0.667 3.677 1.00 23.22 H ATOM 57 HD3 PRO A 4 -0.326 -0.282 4.987 1.00 32.30 H ATOM 58 N ASN A 5 -1.543 -3.451 0.774 1.00 13.35 N ATOM 59 CA ASN A 5 -1.702 -3.721 -0.621 1.00 74.13 C ATOM 60 C ASN A 5 -2.972 -3.024 -1.037 1.00 72.22 C ATOM 61 O ASN A 5 -3.962 -3.653 -1.402 1.00 30.22 O ATOM 62 CB ASN A 5 -1.828 -5.216 -0.888 1.00 41.20 C ATOM 63 CG ASN A 5 -2.174 -6.039 0.347 1.00 34.14 C ATOM 64 OD1 ASN A 5 -1.350 -6.801 0.849 1.00 15.45 O ATOM 65 ND2 ASN A 5 -3.400 -5.887 0.841 1.00 4.12 N ATOM 66 H ASN A 5 -1.820 -4.128 1.402 1.00 61.45 H ATOM 67 HA ASN A 5 -0.862 -3.314 -1.154 1.00 0.55 H ATOM 68 HB2 ASN A 5 -2.607 -5.359 -1.613 1.00 23.41 H ATOM 69 HB3 ASN A 5 -0.896 -5.567 -1.286 1.00 20.32 H ATOM 70 HD21 ASN A 5 -4.008 -5.262 0.394 1.00 52.14 H ATOM 71 HD22 ASN A 5 -3.649 -6.408 1.635 1.00 32.43 H ATOM 72 N ILE A 6 -2.953 -1.713 -0.934 1.00 22.12 N ATOM 73 CA ILE A 6 -4.105 -0.936 -1.253 1.00 51.50 C ATOM 74 C ILE A 6 -4.487 -1.088 -2.714 1.00 50.22 C ATOM 75 O ILE A 6 -4.392 -2.157 -3.316 1.00 74.03 O ATOM 76 CB ILE A 6 -3.881 0.547 -0.979 1.00 44.23 C ATOM 77 CG1 ILE A 6 -3.039 0.830 0.222 1.00 15.02 C ATOM 78 CG2 ILE A 6 -5.205 1.258 -0.786 1.00 43.21 C ATOM 79 CD1 ILE A 6 -3.078 2.310 0.468 1.00 34.42 C ATOM 80 H ILE A 6 -2.148 -1.260 -0.624 1.00 32.33 H ATOM 81 HA ILE A 6 -4.913 -1.251 -0.629 1.00 30.30 H ATOM 82 HB ILE A 6 -3.387 0.971 -1.835 1.00 44.14 H ATOM 83 HG12 ILE A 6 -3.431 0.306 1.084 1.00 35.05 H ATOM 84 HG13 ILE A 6 -2.018 0.542 0.036 1.00 43.33 H ATOM 85 HG21 ILE A 6 -5.419 1.321 0.275 1.00 32.11 H ATOM 86 HG22 ILE A 6 -5.987 0.706 -1.285 1.00 52.14 H ATOM 87 HG23 ILE A 6 -5.133 2.251 -1.197 1.00 45.53 H ATOM 88 HD11 ILE A 6 -3.133 2.809 -0.497 1.00 33.52 H ATOM 89 HD12 ILE A 6 -2.194 2.615 0.986 1.00 70.10 H ATOM 90 HD13 ILE A 6 -3.964 2.560 1.042 1.00 64.41 H ATOM 91 N PHE A 7 -4.885 0.030 -3.249 1.00 51.01 N ATOM 92 CA PHE A 7 -5.276 0.198 -4.607 1.00 52.34 C ATOM 93 C PHE A 7 -4.125 -0.180 -5.519 1.00 21.45 C ATOM 94 O PHE A 7 -4.098 -1.255 -6.121 1.00 10.13 O ATOM 95 CB PHE A 7 -5.662 1.675 -4.708 1.00 53.30 C ATOM 96 CG PHE A 7 -7.093 1.918 -4.318 1.00 41.02 C ATOM 97 CD1 PHE A 7 -8.082 1.022 -4.691 1.00 53.14 C ATOM 98 CD2 PHE A 7 -7.443 3.015 -3.544 1.00 30.02 C ATOM 99 CE1 PHE A 7 -9.390 1.215 -4.300 1.00 33.41 C ATOM 100 CE2 PHE A 7 -8.754 3.215 -3.158 1.00 71.54 C ATOM 101 CZ PHE A 7 -9.726 2.312 -3.534 1.00 35.44 C ATOM 102 H PHE A 7 -4.895 0.814 -2.689 1.00 32.25 H ATOM 103 HA PHE A 7 -6.119 -0.416 -4.811 1.00 42.43 H ATOM 104 HB2 PHE A 7 -5.037 2.234 -4.007 1.00 60.02 H ATOM 105 HB3 PHE A 7 -5.497 2.040 -5.700 1.00 51.21 H ATOM 106 HD1 PHE A 7 -7.824 0.165 -5.292 1.00 31.33 H ATOM 107 HD2 PHE A 7 -6.682 3.723 -3.247 1.00 22.31 H ATOM 108 HE1 PHE A 7 -10.152 0.509 -4.596 1.00 24.02 H ATOM 109 HE2 PHE A 7 -9.019 4.073 -2.558 1.00 73.01 H ATOM 110 HZ PHE A 7 -10.742 2.461 -3.223 1.00 40.52 H ATOM 111 N GLY A 8 -3.164 0.701 -5.561 1.00 74.31 N ATOM 112 CA GLY A 8 -1.969 0.488 -6.335 1.00 22.33 C ATOM 113 C GLY A 8 -0.788 1.080 -5.620 1.00 32.14 C ATOM 114 O GLY A 8 0.091 1.679 -6.239 1.00 21.23 O ATOM 115 H GLY A 8 -3.255 1.509 -5.023 1.00 12.13 H ATOM 116 HA2 GLY A 8 -1.814 -0.572 -6.474 1.00 22.55 H ATOM 117 HA3 GLY A 8 -2.074 0.965 -7.297 1.00 32.31 H ATOM 118 N GLN A 9 -0.780 0.954 -4.296 1.00 23.01 N ATOM 119 CA GLN A 9 0.258 1.514 -3.511 1.00 55.15 C ATOM 120 C GLN A 9 0.547 0.669 -2.295 1.00 51.22 C ATOM 121 O GLN A 9 -0.318 0.440 -1.449 1.00 51.43 O ATOM 122 CB GLN A 9 -0.148 2.881 -3.077 1.00 61.22 C ATOM 123 CG GLN A 9 -1.430 3.405 -3.713 1.00 61.40 C ATOM 124 CD GLN A 9 -1.867 4.739 -3.134 1.00 35.33 C ATOM 125 OE1 GLN A 9 -1.171 5.745 -3.278 1.00 32.01 O ATOM 126 NE2 GLN A 9 -3.021 4.755 -2.479 1.00 54.42 N ATOM 127 H GLN A 9 -1.501 0.508 -3.838 1.00 1.14 H ATOM 128 HA GLN A 9 1.144 1.584 -4.120 1.00 13.42 H ATOM 129 HB2 GLN A 9 -0.283 2.859 -2.012 1.00 44.55 H ATOM 130 HB3 GLN A 9 0.646 3.532 -3.329 1.00 21.30 H ATOM 131 HG2 GLN A 9 -1.267 3.527 -4.775 1.00 43.50 H ATOM 132 HG3 GLN A 9 -2.218 2.684 -3.551 1.00 23.21 H ATOM 133 HE21 GLN A 9 -3.524 3.917 -2.405 1.00 64.03 H ATOM 134 HE22 GLN A 9 -3.321 5.604 -2.091 1.00 52.33 H ATOM 135 N TRP A 10 1.767 0.209 -2.240 1.00 75.44 N ATOM 136 CA TRP A 10 2.263 -0.633 -1.183 1.00 4.34 C ATOM 137 C TRP A 10 3.072 0.177 -0.191 1.00 65.23 C ATOM 138 O TRP A 10 3.960 -0.331 0.497 1.00 23.33 O ATOM 139 CB TRP A 10 3.123 -1.660 -1.833 1.00 42.43 C ATOM 140 CG TRP A 10 2.529 -2.227 -3.089 1.00 11.13 C ATOM 141 CD1 TRP A 10 3.184 -2.752 -4.166 1.00 5.34 C ATOM 142 CD2 TRP A 10 1.146 -2.285 -3.397 1.00 12.30 C ATOM 143 NE1 TRP A 10 2.272 -3.131 -5.129 1.00 54.44 N ATOM 144 CE2 TRP A 10 1.010 -2.848 -4.674 1.00 64.42 C ATOM 145 CE3 TRP A 10 0.014 -1.909 -2.703 1.00 40.14 C ATOM 146 CZ2 TRP A 10 -0.238 -3.031 -5.263 1.00 51.34 C ATOM 147 CZ3 TRP A 10 -1.213 -2.081 -3.281 1.00 14.15 C ATOM 148 CH2 TRP A 10 -1.335 -2.633 -4.542 1.00 71.24 C ATOM 149 H TRP A 10 2.372 0.437 -2.953 1.00 72.43 H ATOM 150 HA TRP A 10 1.442 -1.109 -0.680 1.00 74.15 H ATOM 151 HB2 TRP A 10 4.061 -1.199 -2.082 1.00 73.20 H ATOM 152 HB3 TRP A 10 3.262 -2.427 -1.142 1.00 54.23 H ATOM 153 HD1 TRP A 10 4.256 -2.850 -4.241 1.00 75.43 H ATOM 154 HE1 TRP A 10 2.490 -3.533 -5.997 1.00 30.20 H ATOM 155 HE3 TRP A 10 0.094 -1.492 -1.717 1.00 14.02 H ATOM 156 HZ2 TRP A 10 -0.352 -3.459 -6.248 1.00 75.50 H ATOM 157 HZ3 TRP A 10 -2.102 -1.777 -2.763 1.00 72.53 H ATOM 158 HH2 TRP A 10 -2.319 -2.738 -4.938 1.00 51.21 H ATOM 159 N MET A 11 2.743 1.446 -0.187 1.00 64.51 N ATOM 160 CA MET A 11 3.362 2.482 0.633 1.00 1.34 C ATOM 161 C MET A 11 3.733 2.039 2.057 1.00 53.25 C ATOM 162 O MET A 11 4.073 2.883 2.892 1.00 72.51 O ATOM 163 CB MET A 11 2.438 3.705 0.706 1.00 1.23 C ATOM 164 CG MET A 11 0.924 3.426 0.594 1.00 13.14 C ATOM 165 SD MET A 11 -0.058 4.881 1.010 1.00 4.25 S ATOM 166 CE MET A 11 1.210 6.155 1.009 1.00 63.31 C ATOM 167 H MET A 11 2.055 1.709 -0.803 1.00 12.03 H ATOM 168 HA MET A 11 4.267 2.783 0.129 1.00 63.11 H ATOM 169 HB2 MET A 11 2.610 4.193 1.648 1.00 70.12 H ATOM 170 HB3 MET A 11 2.711 4.384 -0.090 1.00 50.44 H ATOM 171 HG2 MET A 11 0.687 3.144 -0.420 1.00 51.33 H ATOM 172 HG3 MET A 11 0.647 2.615 1.258 1.00 72.41 H ATOM 173 HE1 MET A 11 1.929 5.949 1.786 1.00 24.41 H ATOM 174 HE2 MET A 11 0.761 7.121 1.178 1.00 1.24 H ATOM 175 HE3 MET A 11 1.709 6.154 0.056 1.00 10.22 H TER 176 MET A 11 ENDMDL MODEL 7 ATOM 1 N GLN A 1 6.478 -6.462 1.521 1.00 41.34 N ATOM 2 CA GLN A 1 5.208 -5.681 1.564 1.00 43.43 C ATOM 3 C GLN A 1 5.003 -5.030 2.930 1.00 64.20 C ATOM 4 O GLN A 1 4.301 -5.567 3.788 1.00 11.40 O ATOM 5 CB GLN A 1 4.034 -6.612 1.238 1.00 62.55 C ATOM 6 CG GLN A 1 3.875 -7.764 2.218 1.00 71.22 C ATOM 7 CD GLN A 1 2.525 -7.759 2.909 1.00 43.14 C ATOM 8 OE1 GLN A 1 2.085 -6.734 3.429 1.00 25.31 O ATOM 9 NE2 GLN A 1 1.860 -8.909 2.918 1.00 71.00 N ATOM 10 H1 GLN A 1 7.063 -6.165 2.327 1.00 43.23 H ATOM 11 H2 GLN A 1 6.948 -6.248 0.618 1.00 0.00 H ATOM 12 H3 GLN A 1 6.238 -7.472 1.587 1.00 0.00 H ATOM 13 HA GLN A 1 5.262 -4.906 0.815 1.00 61.34 H ATOM 14 HB2 GLN A 1 3.121 -6.034 1.244 1.00 4.31 H ATOM 15 HB3 GLN A 1 4.181 -7.025 0.250 1.00 64.51 H ATOM 16 HG2 GLN A 1 3.984 -8.694 1.682 1.00 62.51 H ATOM 17 HG3 GLN A 1 4.647 -7.688 2.969 1.00 32.25 H ATOM 18 HE21 GLN A 1 2.272 -9.685 2.484 1.00 11.12 H ATOM 19 HE22 GLN A 1 0.984 -8.934 3.356 1.00 52.20 H ATOM 20 N ASN A 2 5.619 -3.865 3.118 1.00 34.52 N ATOM 21 CA ASN A 2 5.511 -3.131 4.368 1.00 75.42 C ATOM 22 C ASN A 2 4.120 -2.528 4.531 1.00 74.24 C ATOM 23 O ASN A 2 3.398 -2.869 5.467 1.00 41.45 O ATOM 24 CB ASN A 2 6.570 -2.029 4.426 1.00 74.35 C ATOM 25 CG ASN A 2 7.981 -2.584 4.393 1.00 43.30 C ATOM 26 OD1 ASN A 2 8.249 -3.582 3.724 1.00 4.11 O ATOM 27 ND2 ASN A 2 8.890 -1.941 5.116 1.00 20.35 N ATOM 28 H ASN A 2 6.162 -3.492 2.395 1.00 64.15 H ATOM 29 HA ASN A 2 5.683 -3.825 5.179 1.00 45.42 H ATOM 30 HB2 ASN A 2 6.441 -1.370 3.580 1.00 65.22 H ATOM 31 HB3 ASN A 2 6.444 -1.467 5.337 1.00 4.11 H ATOM 32 HD21 ASN A 2 8.607 -1.154 5.627 1.00 51.32 H ATOM 33 HD22 ASN A 2 9.810 -2.281 5.110 1.00 11.22 H ATOM 34 N SER A 3 3.736 -1.624 3.632 1.00 1.42 N ATOM 35 CA SER A 3 2.420 -0.994 3.733 1.00 14.13 C ATOM 36 C SER A 3 1.327 -1.816 3.053 1.00 62.13 C ATOM 37 O SER A 3 1.609 -2.803 2.370 1.00 34.34 O ATOM 38 CB SER A 3 2.427 0.415 3.155 1.00 54.15 C ATOM 39 OG SER A 3 3.533 0.633 2.314 1.00 59.28 O ATOM 40 H SER A 3 4.346 -1.372 2.903 1.00 64.03 H ATOM 41 HA SER A 3 2.188 -0.929 4.782 1.00 75.23 H ATOM 42 HB2 SER A 3 1.531 0.568 2.579 1.00 3.35 H ATOM 43 HB3 SER A 3 2.458 1.127 3.968 1.00 43.44 H ATOM 44 N PRO A 4 0.051 -1.417 3.260 1.00 21.14 N ATOM 45 CA PRO A 4 -1.109 -2.109 2.697 1.00 3.01 C ATOM 46 C PRO A 4 -1.076 -2.274 1.198 1.00 62.04 C ATOM 47 O PRO A 4 -0.725 -1.354 0.458 1.00 31.13 O ATOM 48 CB PRO A 4 -2.297 -1.186 3.042 1.00 42.11 C ATOM 49 CG PRO A 4 -1.681 0.111 3.427 1.00 4.03 C ATOM 50 CD PRO A 4 -0.377 -0.259 4.073 1.00 34.22 C ATOM 51 HA PRO A 4 -1.264 -3.070 3.161 1.00 13.44 H ATOM 52 HB2 PRO A 4 -2.931 -1.070 2.175 1.00 34.03 H ATOM 53 HB3 PRO A 4 -2.866 -1.610 3.853 1.00 31.21 H ATOM 54 HG2 PRO A 4 -1.516 0.718 2.546 1.00 24.13 H ATOM 55 HG3 PRO A 4 -2.318 0.630 4.125 1.00 11.44 H ATOM 56 HD2 PRO A 4 0.322 0.556 4.011 1.00 20.24 H ATOM 57 HD3 PRO A 4 -0.532 -0.550 5.102 1.00 14.12 H ATOM 58 N ASN A 5 -1.555 -3.424 0.746 1.00 71.01 N ATOM 59 CA ASN A 5 -1.695 -3.656 -0.647 1.00 10.53 C ATOM 60 C ASN A 5 -3.009 -3.002 -1.005 1.00 0.52 C ATOM 61 O ASN A 5 -3.987 -3.674 -1.341 1.00 50.20 O ATOM 62 CB ASN A 5 -1.714 -5.147 -0.971 1.00 40.33 C ATOM 63 CG ASN A 5 -1.921 -6.045 0.243 1.00 1.51 C ATOM 64 OD1 ASN A 5 -3.047 -6.226 0.702 1.00 54.42 O ATOM 65 ND2 ASN A 5 -0.838 -6.615 0.765 1.00 74.12 N ATOM 66 H ASN A 5 -1.895 -4.091 1.359 1.00 54.41 H ATOM 67 HA ASN A 5 -0.884 -3.172 -1.160 1.00 44.22 H ATOM 68 HB2 ASN A 5 -2.514 -5.331 -1.655 1.00 41.30 H ATOM 69 HB3 ASN A 5 -0.774 -5.405 -1.428 1.00 32.32 H ATOM 70 HD21 ASN A 5 0.031 -6.435 0.347 1.00 64.42 H ATOM 71 HD22 ASN A 5 -0.952 -7.192 1.550 1.00 75.52 H ATOM 72 N ILE A 6 -3.023 -1.673 -0.890 1.00 24.22 N ATOM 73 CA ILE A 6 -4.211 -0.904 -1.162 1.00 4.21 C ATOM 74 C ILE A 6 -4.511 -1.005 -2.638 1.00 72.11 C ATOM 75 O ILE A 6 -4.301 -2.036 -3.264 1.00 11.24 O ATOM 76 CB ILE A 6 -4.085 0.590 -0.759 1.00 40.11 C ATOM 77 CG1 ILE A 6 -3.055 0.826 0.312 1.00 2.34 C ATOM 78 CG2 ILE A 6 -5.407 1.163 -0.304 1.00 3.20 C ATOM 79 CD1 ILE A 6 -1.946 1.633 -0.251 1.00 34.12 C ATOM 80 H ILE A 6 -2.213 -1.210 -0.619 1.00 33.25 H ATOM 81 HA ILE A 6 -5.003 -1.319 -0.603 1.00 11.44 H ATOM 82 HB ILE A 6 -3.768 1.146 -1.626 1.00 24.41 H ATOM 83 HG12 ILE A 6 -3.494 1.380 1.130 1.00 2.01 H ATOM 84 HG13 ILE A 6 -2.662 -0.101 0.672 1.00 65.00 H ATOM 85 HG21 ILE A 6 -5.418 2.215 -0.535 1.00 33.50 H ATOM 86 HG22 ILE A 6 -5.484 1.024 0.759 1.00 53.04 H ATOM 87 HG23 ILE A 6 -6.241 0.672 -0.797 1.00 45.33 H ATOM 88 HD11 ILE A 6 -1.119 0.991 -0.457 1.00 34.51 H ATOM 89 HD12 ILE A 6 -1.670 2.396 0.444 1.00 44.34 H ATOM 90 HD13 ILE A 6 -2.294 2.084 -1.178 1.00 65.21 H ATOM 91 N PHE A 7 -4.953 0.087 -3.183 1.00 13.11 N ATOM 92 CA PHE A 7 -5.240 0.193 -4.581 1.00 65.21 C ATOM 93 C PHE A 7 -4.034 -0.217 -5.405 1.00 14.25 C ATOM 94 O PHE A 7 -3.905 -1.373 -5.809 1.00 50.10 O ATOM 95 CB PHE A 7 -5.658 1.627 -4.825 1.00 2.14 C ATOM 96 CG PHE A 7 -7.091 1.818 -4.427 1.00 41.54 C ATOM 97 CD1 PHE A 7 -8.064 0.959 -4.913 1.00 60.04 C ATOM 98 CD2 PHE A 7 -7.452 2.790 -3.513 1.00 42.44 C ATOM 99 CE1 PHE A 7 -9.377 1.076 -4.502 1.00 72.45 C ATOM 100 CE2 PHE A 7 -8.759 2.901 -3.088 1.00 70.05 C ATOM 101 CZ PHE A 7 -9.720 2.046 -3.584 1.00 50.54 C ATOM 102 H PHE A 7 -5.072 0.871 -2.624 1.00 33.23 H ATOM 103 HA PHE A 7 -6.055 -0.454 -4.813 1.00 63.44 H ATOM 104 HB2 PHE A 7 -5.035 2.279 -4.205 1.00 62.34 H ATOM 105 HB3 PHE A 7 -5.533 1.878 -5.855 1.00 3.04 H ATOM 106 HD1 PHE A 7 -7.793 0.201 -5.632 1.00 63.54 H ATOM 107 HD2 PHE A 7 -6.701 3.465 -3.130 1.00 4.41 H ATOM 108 HE1 PHE A 7 -10.129 0.404 -4.891 1.00 34.51 H ATOM 109 HE2 PHE A 7 -9.033 3.663 -2.373 1.00 52.54 H ATOM 110 HZ PHE A 7 -10.733 2.127 -3.241 1.00 35.12 H ATOM 111 N GLY A 8 -3.146 0.723 -5.613 1.00 51.53 N ATOM 112 CA GLY A 8 -1.929 0.455 -6.350 1.00 65.12 C ATOM 113 C GLY A 8 -0.755 1.067 -5.643 1.00 4.32 C ATOM 114 O GLY A 8 0.107 1.691 -6.264 1.00 31.44 O ATOM 115 H GLY A 8 -3.304 1.605 -5.239 1.00 52.05 H ATOM 116 HA2 GLY A 8 -1.782 -0.614 -6.429 1.00 52.21 H ATOM 117 HA3 GLY A 8 -2.007 0.878 -7.339 1.00 53.31 H ATOM 118 N GLN A 9 -0.748 0.927 -4.321 1.00 13.15 N ATOM 119 CA GLN A 9 0.270 1.493 -3.514 1.00 33.43 C ATOM 120 C GLN A 9 0.599 0.614 -2.340 1.00 62.32 C ATOM 121 O GLN A 9 -0.242 0.306 -1.508 1.00 73.02 O ATOM 122 CB GLN A 9 -0.185 2.813 -2.990 1.00 64.34 C ATOM 123 CG GLN A 9 -1.475 3.336 -3.600 1.00 12.33 C ATOM 124 CD GLN A 9 -1.819 4.734 -3.129 1.00 32.44 C ATOM 125 OE1 GLN A 9 -2.440 4.915 -2.081 1.00 54.42 O ATOM 126 NE2 GLN A 9 -1.415 5.733 -3.903 1.00 34.32 N ATOM 127 H GLN A 9 -1.462 0.459 -3.873 1.00 23.44 H ATOM 128 HA GLN A 9 1.151 1.634 -4.116 1.00 53.51 H ATOM 129 HB2 GLN A 9 -0.330 2.709 -1.930 1.00 23.33 H ATOM 130 HB3 GLN A 9 0.589 3.504 -3.184 1.00 0.11 H ATOM 131 HG2 GLN A 9 -1.370 3.349 -4.674 1.00 55.51 H ATOM 132 HG3 GLN A 9 -2.282 2.670 -3.326 1.00 12.32 H ATOM 133 HE21 GLN A 9 -0.923 5.514 -4.722 1.00 52.15 H ATOM 134 HE22 GLN A 9 -1.627 6.649 -3.627 1.00 33.34 H ATOM 135 N TRP A 10 1.832 0.224 -2.302 1.00 50.24 N ATOM 136 CA TRP A 10 2.371 -0.624 -1.279 1.00 30.30 C ATOM 137 C TRP A 10 3.151 0.205 -0.274 1.00 12.51 C ATOM 138 O TRP A 10 4.077 -0.256 0.393 1.00 42.42 O ATOM 139 CB TRP A 10 3.247 -1.600 -1.986 1.00 11.34 C ATOM 140 CG TRP A 10 2.623 -2.136 -3.256 1.00 25.03 C ATOM 141 CD1 TRP A 10 3.247 -2.579 -4.392 1.00 32.43 C ATOM 142 CD2 TRP A 10 1.226 -2.232 -3.519 1.00 72.31 C ATOM 143 NE1 TRP A 10 2.306 -2.926 -5.345 1.00 32.30 N ATOM 144 CE2 TRP A 10 1.054 -2.718 -4.822 1.00 14.32 C ATOM 145 CE3 TRP A 10 0.112 -1.949 -2.758 1.00 15.44 C ATOM 146 CZ2 TRP A 10 -0.215 -2.909 -5.379 1.00 31.43 C ATOM 147 CZ3 TRP A 10 -1.136 -2.129 -3.300 1.00 41.41 C ATOM 148 CH2 TRP A 10 -1.295 -2.599 -4.592 1.00 14.11 C ATOM 149 H TRP A 10 2.422 0.510 -3.005 1.00 23.01 H ATOM 150 HA TRP A 10 1.573 -1.138 -0.777 1.00 44.33 H ATOM 151 HB2 TRP A 10 4.157 -1.090 -2.242 1.00 35.54 H ATOM 152 HB3 TRP A 10 3.431 -2.386 -1.329 1.00 32.21 H ATOM 153 HD1 TRP A 10 4.318 -2.636 -4.517 1.00 65.01 H ATOM 154 HE1 TRP A 10 2.498 -3.263 -6.243 1.00 41.42 H ATOM 155 HE3 TRP A 10 0.219 -1.597 -1.752 1.00 34.55 H ATOM 156 HZ2 TRP A 10 -0.356 -3.272 -6.386 1.00 31.43 H ATOM 157 HZ3 TRP A 10 -2.008 -1.892 -2.722 1.00 53.11 H ATOM 158 HH2 TRP A 10 -2.294 -2.713 -4.963 1.00 55.05 H ATOM 159 N MET A 11 2.731 1.437 -0.223 1.00 1.14 N ATOM 160 CA MET A 11 3.281 2.482 0.630 1.00 55.40 C ATOM 161 C MET A 11 3.616 2.015 2.048 1.00 64.41 C ATOM 162 O MET A 11 3.928 2.838 2.912 1.00 41.21 O ATOM 163 CB MET A 11 2.290 3.643 0.693 1.00 32.42 C ATOM 164 CG MET A 11 0.808 3.256 0.755 1.00 74.02 C ATOM 165 SD MET A 11 -0.136 4.492 1.655 1.00 73.51 S ATOM 166 CE MET A 11 -0.175 3.794 3.309 1.00 25.15 C ATOM 167 H MET A 11 2.009 1.665 -0.818 1.00 73.54 H ATOM 168 HA MET A 11 4.185 2.838 0.167 1.00 32.32 H ATOM 169 HB2 MET A 11 2.511 4.224 1.572 1.00 3.22 H ATOM 170 HB3 MET A 11 2.435 4.264 -0.177 1.00 43.23 H ATOM 171 HG2 MET A 11 0.407 3.193 -0.252 1.00 54.33 H ATOM 172 HG3 MET A 11 0.691 2.299 1.249 1.00 74.25 H ATOM 173 HE1 MET A 11 -1.200 3.670 3.620 1.00 12.31 H ATOM 174 HE2 MET A 11 0.330 4.459 4.002 1.00 62.31 H ATOM 175 HE3 MET A 11 0.319 2.835 3.306 1.00 30.10 H TER 176 MET A 11 ENDMDL MODEL 8 ATOM 1 N GLN A 1 8.702 -2.016 7.215 1.00 10.24 N ATOM 2 CA GLN A 1 7.950 -0.810 6.768 1.00 2.23 C ATOM 3 C GLN A 1 6.977 -1.136 5.632 1.00 24.03 C ATOM 4 O GLN A 1 6.598 -0.258 4.860 1.00 25.25 O ATOM 5 CB GLN A 1 8.962 0.242 6.305 1.00 51.51 C ATOM 6 CG GLN A 1 9.666 -0.118 5.005 1.00 50.01 C ATOM 7 CD GLN A 1 9.027 0.539 3.798 1.00 71.24 C ATOM 8 OE1 GLN A 1 9.159 1.745 3.590 1.00 62.03 O ATOM 9 NE2 GLN A 1 8.326 -0.254 2.995 1.00 71.22 N ATOM 10 H1 GLN A 1 8.100 -2.537 7.884 1.00 63.34 H ATOM 11 H2 GLN A 1 9.578 -1.692 7.675 1.00 0.00 H ATOM 12 H3 GLN A 1 8.910 -2.591 6.375 1.00 0.00 H ATOM 13 HA GLN A 1 7.394 -0.422 7.609 1.00 55.13 H ATOM 14 HB2 GLN A 1 8.448 1.180 6.163 1.00 74.14 H ATOM 15 HB3 GLN A 1 9.712 0.364 7.073 1.00 31.34 H ATOM 16 HG2 GLN A 1 10.696 0.202 5.067 1.00 64.24 H ATOM 17 HG3 GLN A 1 9.631 -1.190 4.874 1.00 11.02 H ATOM 18 HE21 GLN A 1 8.263 -1.205 3.223 1.00 45.53 H ATOM 19 HE22 GLN A 1 7.900 0.145 2.207 1.00 21.22 H ATOM 20 N ASN A 2 6.588 -2.401 5.530 1.00 44.34 N ATOM 21 CA ASN A 2 5.673 -2.849 4.479 1.00 54.15 C ATOM 22 C ASN A 2 4.261 -2.282 4.681 1.00 33.43 C ATOM 23 O ASN A 2 3.646 -2.494 5.726 1.00 54.54 O ATOM 24 CB ASN A 2 5.646 -4.379 4.464 1.00 13.23 C ATOM 25 CG ASN A 2 7.043 -4.977 4.549 1.00 62.22 C ATOM 26 OD1 ASN A 2 7.468 -5.434 5.612 1.00 71.25 O ATOM 27 ND2 ASN A 2 7.770 -4.971 3.436 1.00 42.12 N ATOM 28 H ASN A 2 6.930 -3.059 6.172 1.00 20.23 H ATOM 29 HA ASN A 2 6.057 -2.497 3.535 1.00 73.25 H ATOM 30 HB2 ASN A 2 5.075 -4.729 5.312 1.00 62.22 H ATOM 31 HB3 ASN A 2 5.181 -4.720 3.554 1.00 63.12 H ATOM 32 HD21 ASN A 2 7.376 -4.590 2.625 1.00 42.43 H ATOM 33 HD22 ASN A 2 8.677 -5.345 3.474 1.00 43.52 H ATOM 34 N SER A 3 3.753 -1.548 3.681 1.00 54.34 N ATOM 35 CA SER A 3 2.414 -0.944 3.778 1.00 61.53 C ATOM 36 C SER A 3 1.339 -1.795 3.104 1.00 70.40 C ATOM 37 O SER A 3 1.637 -2.798 2.455 1.00 52.20 O ATOM 38 CB SER A 3 2.400 0.464 3.187 1.00 72.32 C ATOM 39 OG SER A 3 3.509 0.694 2.348 1.00 67.86 O ATOM 40 H SER A 3 4.288 -1.401 2.873 1.00 14.10 H ATOM 41 HA SER A 3 2.175 -0.873 4.827 1.00 20.15 H ATOM 42 HB2 SER A 3 1.500 0.600 2.605 1.00 52.10 H ATOM 43 HB3 SER A 3 2.414 1.187 3.994 1.00 64.44 H ATOM 44 N PRO A 4 0.053 -1.402 3.269 1.00 21.51 N ATOM 45 CA PRO A 4 -1.089 -2.131 2.703 1.00 14.13 C ATOM 46 C PRO A 4 -1.043 -2.317 1.205 1.00 32.42 C ATOM 47 O PRO A 4 -0.645 -1.418 0.462 1.00 63.12 O ATOM 48 CB PRO A 4 -2.299 -1.230 3.018 1.00 31.23 C ATOM 49 CG PRO A 4 -1.714 0.090 3.372 1.00 63.24 C ATOM 50 CD PRO A 4 -0.411 -0.227 4.040 1.00 64.03 C ATOM 51 HA PRO A 4 -1.226 -3.087 3.179 1.00 70.53 H ATOM 52 HB2 PRO A 4 -2.934 -1.155 2.142 1.00 70.35 H ATOM 53 HB3 PRO A 4 -2.863 -1.643 3.836 1.00 13.32 H ATOM 54 HG2 PRO A 4 -1.549 0.670 2.471 1.00 3.21 H ATOM 55 HG3 PRO A 4 -2.372 0.616 4.048 1.00 63.50 H ATOM 56 HD2 PRO A 4 0.269 0.602 3.953 1.00 53.34 H ATOM 57 HD3 PRO A 4 -0.571 -0.484 5.075 1.00 22.34 H ATOM 58 N ASN A 5 -1.561 -3.451 0.765 1.00 43.45 N ATOM 59 CA ASN A 5 -1.694 -3.707 -0.622 1.00 41.21 C ATOM 60 C ASN A 5 -2.978 -3.026 -1.017 1.00 43.24 C ATOM 61 O ASN A 5 -3.971 -3.668 -1.364 1.00 14.20 O ATOM 62 CB ASN A 5 -1.770 -5.197 -0.910 1.00 1.23 C ATOM 63 CG ASN A 5 -2.114 -6.044 0.305 1.00 0.32 C ATOM 64 OD1 ASN A 5 -1.285 -6.807 0.804 1.00 14.55 O ATOM 65 ND2 ASN A 5 -3.344 -5.913 0.784 1.00 22.30 N ATOM 66 H ASN A 5 -1.931 -4.090 1.384 1.00 41.12 H ATOM 67 HA ASN A 5 -0.864 -3.262 -1.141 1.00 3.22 H ATOM 68 HB2 ASN A 5 -2.527 -5.356 -1.651 1.00 75.30 H ATOM 69 HB3 ASN A 5 -0.816 -5.514 -1.292 1.00 11.24 H ATOM 70 HD21 ASN A 5 -3.950 -5.289 0.333 1.00 74.32 H ATOM 71 HD22 ASN A 5 -3.595 -6.442 1.570 1.00 54.31 H ATOM 72 N ILE A 6 -2.964 -1.706 -0.915 1.00 20.12 N ATOM 73 CA ILE A 6 -4.123 -0.926 -1.217 1.00 60.20 C ATOM 74 C ILE A 6 -4.509 -1.081 -2.674 1.00 62.34 C ATOM 75 O ILE A 6 -4.464 -2.163 -3.256 1.00 51.30 O ATOM 76 CB ILE A 6 -3.893 0.567 -0.942 1.00 64.53 C ATOM 77 CG1 ILE A 6 -3.111 0.836 0.310 1.00 51.42 C ATOM 78 CG2 ILE A 6 -5.223 1.283 -0.799 1.00 61.33 C ATOM 79 CD1 ILE A 6 -3.265 2.286 0.663 1.00 14.51 C ATOM 80 H ILE A 6 -2.156 -1.249 -0.620 1.00 60.24 H ATOM 81 HA ILE A 6 -4.930 -1.243 -0.585 1.00 71.43 H ATOM 82 HB ILE A 6 -3.360 0.989 -1.779 1.00 42.54 H ATOM 83 HG12 ILE A 6 -3.499 0.237 1.119 1.00 53.13 H ATOM 84 HG13 ILE A 6 -2.065 0.629 0.158 1.00 30.01 H ATOM 85 HG21 ILE A 6 -5.531 1.242 0.239 1.00 13.15 H ATOM 86 HG22 ILE A 6 -5.964 0.809 -1.420 1.00 21.01 H ATOM 87 HG23 ILE A 6 -5.101 2.312 -1.098 1.00 21.44 H ATOM 88 HD11 ILE A 6 -2.450 2.606 1.276 1.00 52.02 H ATOM 89 HD12 ILE A 6 -4.204 2.420 1.183 1.00 1.42 H ATOM 90 HD13 ILE A 6 -3.287 2.865 -0.256 1.00 1.12 H ATOM 91 N PHE A 7 -4.852 0.043 -3.229 1.00 33.30 N ATOM 92 CA PHE A 7 -5.237 0.206 -4.591 1.00 62.21 C ATOM 93 C PHE A 7 -4.093 -0.167 -5.512 1.00 60.22 C ATOM 94 O PHE A 7 -4.063 -1.246 -6.103 1.00 13.04 O ATOM 95 CB PHE A 7 -5.633 1.672 -4.697 1.00 24.03 C ATOM 96 CG PHE A 7 -7.071 1.860 -4.357 1.00 15.04 C ATOM 97 CD1 PHE A 7 -8.032 1.087 -4.975 1.00 43.14 C ATOM 98 CD2 PHE A 7 -7.458 2.769 -3.389 1.00 3.21 C ATOM 99 CE1 PHE A 7 -9.359 1.219 -4.642 1.00 61.40 C ATOM 100 CE2 PHE A 7 -8.785 2.903 -3.045 1.00 21.25 C ATOM 101 CZ PHE A 7 -9.735 2.128 -3.674 1.00 71.23 C ATOM 102 H PHE A 7 -4.829 0.835 -2.683 1.00 50.43 H ATOM 103 HA PHE A 7 -6.080 -0.412 -4.797 1.00 3.02 H ATOM 104 HB2 PHE A 7 -5.047 2.239 -3.969 1.00 24.10 H ATOM 105 HB3 PHE A 7 -5.447 2.045 -5.679 1.00 10.43 H ATOM 106 HD1 PHE A 7 -7.734 0.377 -5.731 1.00 75.44 H ATOM 107 HD2 PHE A 7 -6.711 3.379 -2.900 1.00 42.43 H ATOM 108 HE1 PHE A 7 -10.102 0.609 -5.134 1.00 2.44 H ATOM 109 HE2 PHE A 7 -9.081 3.613 -2.287 1.00 11.24 H ATOM 110 HZ PHE A 7 -10.766 2.224 -3.399 1.00 72.10 H ATOM 111 N GLY A 8 -3.143 0.723 -5.580 1.00 54.14 N ATOM 112 CA GLY A 8 -1.954 0.514 -6.369 1.00 4.55 C ATOM 113 C GLY A 8 -0.769 1.093 -5.646 1.00 42.25 C ATOM 114 O GLY A 8 0.114 1.698 -6.258 1.00 61.44 O ATOM 115 H GLY A 8 -3.236 1.539 -5.051 1.00 22.23 H ATOM 116 HA2 GLY A 8 -1.804 -0.543 -6.521 1.00 25.23 H ATOM 117 HA3 GLY A 8 -2.062 1.007 -7.323 1.00 32.00 H ATOM 118 N GLN A 9 -0.777 0.956 -4.321 1.00 73.51 N ATOM 119 CA GLN A 9 0.252 1.510 -3.517 1.00 35.10 C ATOM 120 C GLN A 9 0.530 0.668 -2.295 1.00 4.11 C ATOM 121 O GLN A 9 -0.319 0.482 -1.424 1.00 43.03 O ATOM 122 CB GLN A 9 -0.156 2.872 -3.076 1.00 64.04 C ATOM 123 CG GLN A 9 -1.476 3.378 -3.656 1.00 50.24 C ATOM 124 CD GLN A 9 -1.767 4.817 -3.269 1.00 14.41 C ATOM 125 OE1 GLN A 9 -1.312 5.754 -3.926 1.00 64.42 O ATOM 126 NE2 GLN A 9 -2.527 4.996 -2.196 1.00 4.51 N ATOM 127 H GLN A 9 -1.506 0.510 -3.874 1.00 13.32 H ATOM 128 HA GLN A 9 1.148 1.585 -4.111 1.00 74.20 H ATOM 129 HB2 GLN A 9 -0.243 2.853 -2.007 1.00 43.42 H ATOM 130 HB3 GLN A 9 0.617 3.532 -3.368 1.00 23.40 H ATOM 131 HG2 GLN A 9 -1.435 3.313 -4.733 1.00 4.44 H ATOM 132 HG3 GLN A 9 -2.280 2.755 -3.289 1.00 15.55 H ATOM 133 HE21 GLN A 9 -2.855 4.202 -1.724 1.00 53.40 H ATOM 134 HE22 GLN A 9 -2.728 5.915 -1.919 1.00 1.30 H ATOM 135 N TRP A 10 1.738 0.179 -2.264 1.00 13.34 N ATOM 136 CA TRP A 10 2.252 -0.658 -1.215 1.00 25.11 C ATOM 137 C TRP A 10 3.060 0.169 -0.227 1.00 44.51 C ATOM 138 O TRP A 10 3.940 -0.318 0.473 1.00 0.12 O ATOM 139 CB TRP A 10 3.118 -1.672 -1.886 1.00 64.00 C ATOM 140 CG TRP A 10 2.502 -2.240 -3.147 1.00 2.42 C ATOM 141 CD1 TRP A 10 3.132 -2.768 -4.244 1.00 25.32 C ATOM 142 CD2 TRP A 10 1.110 -2.289 -3.435 1.00 31.13 C ATOM 143 NE1 TRP A 10 2.195 -3.131 -5.194 1.00 24.21 N ATOM 144 CE2 TRP A 10 0.945 -2.841 -4.713 1.00 24.04 C ATOM 145 CE3 TRP A 10 -0.008 -1.912 -2.720 1.00 33.31 C ATOM 146 CZ2 TRP A 10 -0.318 -3.012 -5.285 1.00 42.04 C ATOM 147 CZ3 TRP A 10 -1.248 -2.074 -3.277 1.00 31.31 C ATOM 148 CH2 TRP A 10 -1.399 -2.612 -4.543 1.00 2.24 C ATOM 149 H TRP A 10 2.328 0.387 -2.995 1.00 64.25 H ATOM 150 HA TRP A 10 1.440 -1.144 -0.703 1.00 33.31 H ATOM 151 HB2 TRP A 10 4.040 -1.185 -2.150 1.00 4.23 H ATOM 152 HB3 TRP A 10 3.287 -2.443 -1.205 1.00 52.20 H ATOM 153 HD1 TRP A 10 4.202 -2.876 -4.343 1.00 71.33 H ATOM 154 HE1 TRP A 10 2.391 -3.528 -6.068 1.00 24.32 H ATOM 155 HE3 TRP A 10 0.091 -1.506 -1.732 1.00 33.51 H ATOM 156 HZ2 TRP A 10 -0.453 -3.431 -6.273 1.00 42.34 H ATOM 157 HZ3 TRP A 10 -2.123 -1.764 -2.740 1.00 33.23 H ATOM 158 HH2 TRP A 10 -2.391 -2.710 -4.923 1.00 11.25 H ATOM 159 N MET A 11 2.730 1.433 -0.241 1.00 51.30 N ATOM 160 CA MET A 11 3.337 2.472 0.575 1.00 73.14 C ATOM 161 C MET A 11 3.554 2.071 2.034 1.00 63.41 C ATOM 162 O MET A 11 3.751 2.937 2.886 1.00 21.43 O ATOM 163 CB MET A 11 2.447 3.717 0.533 1.00 15.14 C ATOM 164 CG MET A 11 0.946 3.435 0.675 1.00 62.52 C ATOM 165 SD MET A 11 0.127 4.606 1.778 1.00 13.53 S ATOM 166 CE MET A 11 1.034 6.121 1.454 1.00 30.13 C ATOM 167 H MET A 11 2.044 1.685 -0.862 1.00 71.44 H ATOM 168 HA MET A 11 4.292 2.719 0.140 1.00 0.35 H ATOM 169 HB2 MET A 11 2.741 4.369 1.337 1.00 50.14 H ATOM 170 HB3 MET A 11 2.606 4.225 -0.402 1.00 42.30 H ATOM 171 HG2 MET A 11 0.477 3.494 -0.304 1.00 43.34 H ATOM 172 HG3 MET A 11 0.802 2.437 1.071 1.00 33.41 H ATOM 173 HE1 MET A 11 1.678 5.973 0.602 1.00 41.34 H ATOM 174 HE2 MET A 11 1.626 6.380 2.321 1.00 14.11 H ATOM 175 HE3 MET A 11 0.341 6.926 1.247 1.00 1.33 H TER 176 MET A 11 ENDMDL MODEL 9 ATOM 1 N GLN A 1 4.667 -5.379 1.057 1.00 24.21 N ATOM 2 CA GLN A 1 5.138 -6.083 2.285 1.00 41.04 C ATOM 3 C GLN A 1 5.092 -5.154 3.498 1.00 20.22 C ATOM 4 O GLN A 1 4.587 -5.522 4.560 1.00 43.13 O ATOM 5 CB GLN A 1 6.569 -6.584 2.041 1.00 33.15 C ATOM 6 CG GLN A 1 6.632 -7.945 1.362 1.00 51.34 C ATOM 7 CD GLN A 1 7.952 -8.186 0.650 1.00 62.14 C ATOM 8 OE1 GLN A 1 8.824 -8.891 1.160 1.00 72.41 O ATOM 9 NE2 GLN A 1 8.106 -7.604 -0.534 1.00 52.25 N ATOM 10 H1 GLN A 1 3.931 -5.966 0.618 1.00 20.20 H ATOM 11 H2 GLN A 1 5.482 -5.259 0.421 1.00 0.00 H ATOM 12 H3 GLN A 1 4.282 -4.456 1.346 1.00 0.00 H ATOM 13 HA GLN A 1 4.491 -6.928 2.464 1.00 11.05 H ATOM 14 HB2 GLN A 1 7.084 -5.870 1.415 1.00 42.35 H ATOM 15 HB3 GLN A 1 7.080 -6.652 2.989 1.00 20.25 H ATOM 16 HG2 GLN A 1 6.501 -8.713 2.110 1.00 34.12 H ATOM 17 HG3 GLN A 1 5.834 -8.010 0.637 1.00 10.33 H ATOM 18 HE21 GLN A 1 7.370 -7.060 -0.882 1.00 4.11 H ATOM 19 HE22 GLN A 1 8.951 -7.745 -1.012 1.00 5.13 H ATOM 20 N ASN A 2 5.616 -3.940 3.320 1.00 41.34 N ATOM 21 CA ASN A 2 5.633 -2.937 4.383 1.00 43.23 C ATOM 22 C ASN A 2 4.248 -2.308 4.562 1.00 33.25 C ATOM 23 O ASN A 2 3.629 -2.457 5.615 1.00 14.00 O ATOM 24 CB ASN A 2 6.680 -1.857 4.073 1.00 32.34 C ATOM 25 CG ASN A 2 7.894 -1.941 4.984 1.00 10.24 C ATOM 26 OD1 ASN A 2 7.814 -1.638 6.175 1.00 51.23 O ATOM 27 ND2 ASN A 2 9.031 -2.351 4.427 1.00 72.42 N ATOM 28 H ASN A 2 5.992 -3.712 2.449 1.00 4.15 H ATOM 29 HA ASN A 2 5.908 -3.435 5.303 1.00 44.11 H ATOM 30 HB2 ASN A 2 7.013 -1.974 3.053 1.00 34.00 H ATOM 31 HB3 ASN A 2 6.231 -0.883 4.192 1.00 62.42 H ATOM 32 HD21 ASN A 2 9.027 -2.573 3.473 1.00 40.15 H ATOM 33 HD22 ASN A 2 9.828 -2.415 4.996 1.00 50.52 H ATOM 34 N SER A 3 3.752 -1.603 3.538 1.00 62.45 N ATOM 35 CA SER A 3 2.428 -0.969 3.637 1.00 1.44 C ATOM 36 C SER A 3 1.321 -1.817 3.011 1.00 64.55 C ATOM 37 O SER A 3 1.583 -2.853 2.395 1.00 13.14 O ATOM 38 CB SER A 3 2.406 0.423 3.003 1.00 31.04 C ATOM 39 OG SER A 3 3.623 0.739 2.368 1.00 16.09 O ATOM 40 H SER A 3 4.280 -1.508 2.715 1.00 50.00 H ATOM 41 HA SER A 3 2.211 -0.865 4.689 1.00 41.52 H ATOM 42 HB2 SER A 3 1.613 0.471 2.264 1.00 71.41 H ATOM 43 HB3 SER A 3 2.213 1.152 3.778 1.00 72.24 H ATOM 44 N PRO A 4 0.054 -1.377 3.185 1.00 21.43 N ATOM 45 CA PRO A 4 -1.126 -2.077 2.668 1.00 33.34 C ATOM 46 C PRO A 4 -1.135 -2.275 1.172 1.00 35.23 C ATOM 47 O PRO A 4 -0.880 -1.343 0.405 1.00 10.41 O ATOM 48 CB PRO A 4 -2.302 -1.142 3.010 1.00 33.44 C ATOM 49 CG PRO A 4 -1.690 0.160 3.377 1.00 41.40 C ATOM 50 CD PRO A 4 -0.334 -0.160 3.930 1.00 5.34 C ATOM 51 HA PRO A 4 -1.276 -3.025 3.154 1.00 10.15 H ATOM 52 HB2 PRO A 4 -2.935 -1.032 2.140 1.00 22.11 H ATOM 53 HB3 PRO A 4 -2.876 -1.552 3.822 1.00 61.23 H ATOM 54 HG2 PRO A 4 -1.605 0.783 2.495 1.00 53.30 H ATOM 55 HG3 PRO A 4 -2.298 0.649 4.123 1.00 11.15 H ATOM 56 HD2 PRO A 4 0.345 0.652 3.737 1.00 3.24 H ATOM 57 HD3 PRO A 4 -0.393 -0.360 4.989 1.00 11.31 H ATOM 58 N ASN A 5 -1.547 -3.463 0.754 1.00 31.32 N ATOM 59 CA ASN A 5 -1.719 -3.727 -0.631 1.00 0.04 C ATOM 60 C ASN A 5 -3.008 -3.043 -1.006 1.00 13.12 C ATOM 61 O ASN A 5 -4.004 -3.687 -1.328 1.00 51.12 O ATOM 62 CB ASN A 5 -1.809 -5.219 -0.914 1.00 10.43 C ATOM 63 CG ASN A 5 -2.102 -6.063 0.317 1.00 43.45 C ATOM 64 OD1 ASN A 5 -3.157 -5.932 0.937 1.00 74.24 O ATOM 65 ND2 ASN A 5 -1.165 -6.934 0.681 1.00 2.40 N ATOM 66 H ASN A 5 -1.817 -4.142 1.388 1.00 72.44 H ATOM 67 HA ASN A 5 -0.900 -3.295 -1.175 1.00 22.13 H ATOM 68 HB2 ASN A 5 -2.599 -5.379 -1.622 1.00 53.42 H ATOM 69 HB3 ASN A 5 -0.875 -5.541 -1.338 1.00 32.24 H ATOM 70 HD21 ASN A 5 -0.347 -6.988 0.143 1.00 65.55 H ATOM 71 HD22 ASN A 5 -1.330 -7.487 1.474 1.00 72.43 H ATOM 72 N ILE A 6 -2.982 -1.726 -0.911 1.00 22.15 N ATOM 73 CA ILE A 6 -4.136 -0.933 -1.196 1.00 13.01 C ATOM 74 C ILE A 6 -4.556 -1.098 -2.649 1.00 3.23 C ATOM 75 O ILE A 6 -4.605 -2.199 -3.199 1.00 51.11 O ATOM 76 CB ILE A 6 -3.883 0.557 -0.927 1.00 12.14 C ATOM 77 CG1 ILE A 6 -3.111 0.825 0.332 1.00 65.42 C ATOM 78 CG2 ILE A 6 -5.205 1.302 -0.806 1.00 42.00 C ATOM 79 CD1 ILE A 6 -3.233 2.283 0.642 1.00 43.31 C ATOM 80 H ILE A 6 -2.156 -1.280 -0.633 1.00 33.11 H ATOM 81 HA ILE A 6 -4.933 -1.239 -0.555 1.00 1.43 H ATOM 82 HB ILE A 6 -3.325 0.964 -1.759 1.00 61.43 H ATOM 83 HG12 ILE A 6 -3.526 0.255 1.149 1.00 23.33 H ATOM 84 HG13 ILE A 6 -2.068 0.588 0.196 1.00 31.03 H ATOM 85 HG21 ILE A 6 -5.969 0.768 -1.337 1.00 13.20 H ATOM 86 HG22 ILE A 6 -5.088 2.292 -1.219 1.00 41.54 H ATOM 87 HG23 ILE A 6 -5.478 1.381 0.239 1.00 43.03 H ATOM 88 HD11 ILE A 6 -2.407 2.612 1.236 1.00 23.43 H ATOM 89 HD12 ILE A 6 -4.168 2.445 1.161 1.00 44.13 H ATOM 90 HD13 ILE A 6 -3.256 2.830 -0.295 1.00 1.32 H ATOM 91 N PHE A 7 -4.833 0.032 -3.233 1.00 4.43 N ATOM 92 CA PHE A 7 -5.232 0.178 -4.595 1.00 14.33 C ATOM 93 C PHE A 7 -4.084 -0.185 -5.516 1.00 22.25 C ATOM 94 O PHE A 7 -4.060 -1.245 -6.146 1.00 51.31 O ATOM 95 CB PHE A 7 -5.619 1.644 -4.718 1.00 2.31 C ATOM 96 CG PHE A 7 -7.050 1.880 -4.360 1.00 61.30 C ATOM 97 CD1 PHE A 7 -7.581 1.289 -3.224 1.00 10.14 C ATOM 98 CD2 PHE A 7 -7.860 2.680 -5.138 1.00 50.25 C ATOM 99 CE1 PHE A 7 -8.893 1.492 -2.871 1.00 11.24 C ATOM 100 CE2 PHE A 7 -9.180 2.889 -4.789 1.00 51.35 C ATOM 101 CZ PHE A 7 -9.695 2.293 -3.652 1.00 73.31 C ATOM 102 H PHE A 7 -4.750 0.837 -2.710 1.00 23.22 H ATOM 103 HA PHE A 7 -6.076 -0.442 -4.793 1.00 71.21 H ATOM 104 HB2 PHE A 7 -5.009 2.220 -4.012 1.00 72.43 H ATOM 105 HB3 PHE A 7 -5.441 1.998 -5.709 1.00 63.14 H ATOM 106 HD1 PHE A 7 -6.954 0.660 -2.616 1.00 20.02 H ATOM 107 HD2 PHE A 7 -7.454 3.142 -6.025 1.00 1.04 H ATOM 108 HE1 PHE A 7 -9.293 1.027 -1.980 1.00 12.45 H ATOM 109 HE2 PHE A 7 -9.807 3.517 -5.402 1.00 52.43 H ATOM 110 HZ PHE A 7 -10.719 2.454 -3.375 1.00 34.03 H ATOM 111 N GLY A 8 -3.122 0.698 -5.542 1.00 61.14 N ATOM 112 CA GLY A 8 -1.928 0.513 -6.323 1.00 63.23 C ATOM 113 C GLY A 8 -0.755 1.105 -5.591 1.00 42.24 C ATOM 114 O GLY A 8 0.116 1.731 -6.192 1.00 50.22 O ATOM 115 H GLY A 8 -3.215 1.497 -4.988 1.00 12.23 H ATOM 116 HA2 GLY A 8 -1.764 -0.545 -6.481 1.00 14.42 H ATOM 117 HA3 GLY A 8 -2.040 1.008 -7.275 1.00 2.30 H ATOM 118 N GLN A 9 -0.758 0.950 -4.267 1.00 24.34 N ATOM 119 CA GLN A 9 0.264 1.501 -3.462 1.00 53.12 C ATOM 120 C GLN A 9 0.540 0.660 -2.240 1.00 71.41 C ATOM 121 O GLN A 9 -0.317 0.462 -1.376 1.00 40.51 O ATOM 122 CB GLN A 9 -0.132 2.869 -3.025 1.00 42.11 C ATOM 123 CG GLN A 9 -1.431 3.400 -3.625 1.00 74.12 C ATOM 124 CD GLN A 9 -1.818 4.758 -3.061 1.00 74.13 C ATOM 125 OE1 GLN A 9 -1.217 5.236 -2.100 1.00 11.34 O ATOM 126 NE2 GLN A 9 -2.828 5.386 -3.657 1.00 71.25 N ATOM 127 H GLN A 9 -1.478 0.486 -3.825 1.00 33.40 H ATOM 128 HA GLN A 9 1.162 1.568 -4.055 1.00 11.45 H ATOM 129 HB2 GLN A 9 -0.235 2.849 -1.958 1.00 52.13 H ATOM 130 HB3 GLN A 9 0.659 3.515 -3.300 1.00 52.34 H ATOM 131 HG2 GLN A 9 -1.309 3.494 -4.695 1.00 11.21 H ATOM 132 HG3 GLN A 9 -2.225 2.699 -3.413 1.00 14.31 H ATOM 133 HE21 GLN A 9 -3.263 4.946 -4.416 1.00 12.12 H ATOM 134 HE22 GLN A 9 -3.095 6.264 -3.311 1.00 3.23 H ATOM 135 N TRP A 10 1.753 0.179 -2.202 1.00 24.21 N ATOM 136 CA TRP A 10 2.262 -0.652 -1.147 1.00 21.53 C ATOM 137 C TRP A 10 3.062 0.185 -0.163 1.00 70.32 C ATOM 138 O TRP A 10 3.921 -0.296 0.575 1.00 34.13 O ATOM 139 CB TRP A 10 3.125 -1.675 -1.817 1.00 44.30 C ATOM 140 CG TRP A 10 2.514 -2.245 -3.081 1.00 33.12 C ATOM 141 CD1 TRP A 10 3.146 -2.776 -4.178 1.00 54.31 C ATOM 142 CD2 TRP A 10 1.122 -2.293 -3.375 1.00 24.21 C ATOM 143 NE1 TRP A 10 2.211 -3.131 -5.133 1.00 64.11 N ATOM 144 CE2 TRP A 10 0.961 -2.837 -4.657 1.00 22.24 C ATOM 145 CE3 TRP A 10 0.003 -1.914 -2.665 1.00 14.22 C ATOM 146 CZ2 TRP A 10 -0.300 -3.003 -5.236 1.00 35.21 C ATOM 147 CZ3 TRP A 10 -1.237 -2.071 -3.230 1.00 63.40 C ATOM 148 CH2 TRP A 10 -1.384 -2.602 -4.497 1.00 34.33 C ATOM 149 H TRP A 10 2.348 0.395 -2.926 1.00 54.20 H ATOM 150 HA TRP A 10 1.447 -1.132 -0.637 1.00 20.23 H ATOM 151 HB2 TRP A 10 4.049 -1.195 -2.072 1.00 10.44 H ATOM 152 HB3 TRP A 10 3.284 -2.447 -1.133 1.00 13.33 H ATOM 153 HD1 TRP A 10 4.218 -2.893 -4.272 1.00 1.25 H ATOM 154 HE1 TRP A 10 2.409 -3.526 -6.008 1.00 62.31 H ATOM 155 HE3 TRP A 10 0.099 -1.517 -1.675 1.00 21.23 H ATOM 156 HZ2 TRP A 10 -0.433 -3.415 -6.225 1.00 1.30 H ATOM 157 HZ3 TRP A 10 -2.112 -1.762 -2.692 1.00 30.33 H ATOM 158 HH2 TRP A 10 -2.378 -2.696 -4.884 1.00 73.32 H ATOM 159 N MET A 11 2.748 1.448 -0.223 1.00 22.44 N ATOM 160 CA MET A 11 3.345 2.503 0.578 1.00 52.32 C ATOM 161 C MET A 11 3.619 2.114 2.038 1.00 1.14 C ATOM 162 O MET A 11 3.835 2.986 2.871 1.00 33.14 O ATOM 163 CB MET A 11 2.420 3.729 0.534 1.00 64.33 C ATOM 164 CG MET A 11 0.917 3.410 0.676 1.00 53.12 C ATOM 165 SD MET A 11 0.079 4.617 1.720 1.00 65.44 S ATOM 166 CE MET A 11 0.502 6.133 0.866 1.00 35.21 C ATOM 167 H MET A 11 2.081 1.688 -0.872 1.00 73.35 H ATOM 168 HA MET A 11 4.275 2.768 0.112 1.00 74.41 H ATOM 169 HB2 MET A 11 2.700 4.401 1.332 1.00 53.42 H ATOM 170 HB3 MET A 11 2.567 4.233 -0.409 1.00 71.22 H ATOM 171 HG2 MET A 11 0.449 3.428 -0.307 1.00 64.51 H ATOM 172 HG3 MET A 11 0.792 2.424 1.108 1.00 64.32 H ATOM 173 HE1 MET A 11 0.898 5.890 -0.110 1.00 63.33 H ATOM 174 HE2 MET A 11 1.246 6.670 1.431 1.00 74.30 H ATOM 175 HE3 MET A 11 -0.376 6.750 0.754 1.00 60.24 H TER 176 MET A 11 ENDMDL MODEL 10 ATOM 1 N GLN A 1 7.161 -1.086 8.635 1.00 24.45 N ATOM 2 CA GLN A 1 7.713 -0.267 7.525 1.00 43.45 C ATOM 3 C GLN A 1 6.822 -0.340 6.289 1.00 34.21 C ATOM 4 O GLN A 1 6.302 0.677 5.828 1.00 13.22 O ATOM 5 CB GLN A 1 9.124 -0.771 7.206 1.00 43.23 C ATOM 6 CG GLN A 1 9.786 -0.057 6.038 1.00 44.15 C ATOM 7 CD GLN A 1 9.376 -0.634 4.698 1.00 34.33 C ATOM 8 OE1 GLN A 1 9.313 -1.851 4.525 1.00 54.35 O ATOM 9 NE2 GLN A 1 9.094 0.240 3.739 1.00 31.40 N ATOM 10 H1 GLN A 1 7.015 -2.050 8.275 1.00 4.05 H ATOM 11 H2 GLN A 1 6.261 -0.654 8.930 1.00 0.00 H ATOM 12 H3 GLN A 1 7.854 -1.078 9.410 1.00 0.00 H ATOM 13 HA GLN A 1 7.770 0.760 7.855 1.00 30.23 H ATOM 14 HB2 GLN A 1 9.747 -0.634 8.078 1.00 74.03 H ATOM 15 HB3 GLN A 1 9.075 -1.825 6.975 1.00 21.54 H ATOM 16 HG2 GLN A 1 9.506 0.986 6.065 1.00 44.13 H ATOM 17 HG3 GLN A 1 10.856 -0.146 6.139 1.00 5.31 H ATOM 18 HE21 GLN A 1 9.167 1.195 3.947 1.00 60.42 H ATOM 19 HE22 GLN A 1 8.824 -0.105 2.863 1.00 0.21 H ATOM 20 N ASN A 2 6.648 -1.544 5.750 1.00 32.42 N ATOM 21 CA ASN A 2 5.822 -1.732 4.566 1.00 65.35 C ATOM 22 C ASN A 2 4.346 -1.486 4.876 1.00 74.41 C ATOM 23 O ASN A 2 3.885 -1.717 5.994 1.00 71.13 O ATOM 24 CB ASN A 2 6.046 -3.123 3.974 1.00 12.40 C ATOM 25 CG ASN A 2 5.844 -4.238 4.980 1.00 20.43 C ATOM 26 OD1 ASN A 2 5.879 -4.015 6.190 1.00 51.31 O ATOM 27 ND2 ASN A 2 5.635 -5.451 4.480 1.00 74.33 N ATOM 28 H ASN A 2 7.086 -2.321 6.156 1.00 74.01 H ATOM 29 HA ASN A 2 6.136 -0.997 3.840 1.00 55.33 H ATOM 30 HB2 ASN A 2 5.361 -3.272 3.157 1.00 54.42 H ATOM 31 HB3 ASN A 2 7.059 -3.182 3.601 1.00 5.03 H ATOM 32 HD21 ASN A 2 5.623 -5.554 3.505 1.00 25.03 H ATOM 33 HD22 ASN A 2 5.504 -6.194 5.105 1.00 54.40 H ATOM 34 N SER A 3 3.631 -0.970 3.882 1.00 54.50 N ATOM 35 CA SER A 3 2.216 -0.630 4.032 1.00 75.03 C ATOM 36 C SER A 3 1.292 -1.560 3.212 1.00 25.20 C ATOM 37 O SER A 3 1.769 -2.381 2.429 1.00 70.04 O ATOM 38 CB SER A 3 2.036 0.832 3.618 1.00 52.25 C ATOM 39 OG SER A 3 2.206 0.975 2.216 1.00 41.80 O ATOM 40 H SER A 3 4.077 -0.782 3.029 1.00 61.21 H ATOM 41 HA SER A 3 1.966 -0.728 5.077 1.00 2.12 H ATOM 42 HB2 SER A 3 1.050 1.168 3.891 1.00 5.33 H ATOM 43 HB3 SER A 3 2.773 1.435 4.127 1.00 11.45 H ATOM 44 N PRO A 4 -0.051 -1.458 3.412 1.00 45.22 N ATOM 45 CA PRO A 4 -1.062 -2.302 2.735 1.00 14.01 C ATOM 46 C PRO A 4 -0.960 -2.392 1.222 1.00 33.04 C ATOM 47 O PRO A 4 -0.551 -1.448 0.547 1.00 23.21 O ATOM 48 CB PRO A 4 -2.397 -1.591 3.049 1.00 3.21 C ATOM 49 CG PRO A 4 -2.016 -0.284 3.632 1.00 71.04 C ATOM 50 CD PRO A 4 -0.723 -0.541 4.345 1.00 1.15 C ATOM 51 HA PRO A 4 -1.090 -3.293 3.151 1.00 23.23 H ATOM 52 HB2 PRO A 4 -2.961 -1.454 2.134 1.00 52.30 H ATOM 53 HB3 PRO A 4 -2.977 -2.177 3.740 1.00 13.02 H ATOM 54 HG2 PRO A 4 -1.880 0.441 2.839 1.00 13.35 H ATOM 55 HG3 PRO A 4 -2.777 0.046 4.317 1.00 43.13 H ATOM 56 HD2 PRO A 4 -0.175 0.375 4.478 1.00 70.23 H ATOM 57 HD3 PRO A 4 -0.904 -1.020 5.294 1.00 20.54 H ATOM 58 N ASN A 5 -1.456 -3.509 0.696 1.00 1.51 N ATOM 59 CA ASN A 5 -1.556 -3.700 -0.715 1.00 34.31 C ATOM 60 C ASN A 5 -2.855 -3.045 -1.105 1.00 54.34 C ATOM 61 O ASN A 5 -3.824 -3.703 -1.480 1.00 64.24 O ATOM 62 CB ASN A 5 -1.595 -5.178 -1.065 1.00 30.34 C ATOM 63 CG ASN A 5 -1.984 -6.062 0.109 1.00 23.01 C ATOM 64 OD1 ASN A 5 -1.234 -6.194 1.076 1.00 1.31 O ATOM 65 ND2 ASN A 5 -3.167 -6.661 0.036 1.00 14.55 N ATOM 66 H ASN A 5 -1.843 -4.185 1.271 1.00 25.34 H ATOM 67 HA ASN A 5 -0.729 -3.216 -1.197 1.00 63.34 H ATOM 68 HB2 ASN A 5 -2.319 -5.318 -1.844 1.00 23.12 H ATOM 69 HB3 ASN A 5 -0.623 -5.473 -1.411 1.00 1.20 H ATOM 70 HD21 ASN A 5 -3.715 -6.507 -0.761 1.00 35.34 H ATOM 71 HD22 ASN A 5 -3.446 -7.229 0.785 1.00 35.14 H ATOM 72 N ILE A 6 -2.879 -1.738 -0.953 1.00 45.03 N ATOM 73 CA ILE A 6 -4.056 -0.977 -1.221 1.00 44.15 C ATOM 74 C ILE A 6 -4.450 -1.057 -2.682 1.00 33.10 C ATOM 75 O ILE A 6 -4.366 -2.098 -3.336 1.00 72.41 O ATOM 76 CB ILE A 6 -3.866 0.492 -0.846 1.00 1.14 C ATOM 77 CG1 ILE A 6 -3.063 0.681 0.405 1.00 54.45 C ATOM 78 CG2 ILE A 6 -5.216 1.167 -0.637 1.00 42.00 C ATOM 79 CD1 ILE A 6 -3.148 2.116 0.810 1.00 42.42 C ATOM 80 H ILE A 6 -2.085 -1.274 -0.631 1.00 33.13 H ATOM 81 HA ILE A 6 -4.853 -1.353 -0.615 1.00 65.13 H ATOM 82 HB ILE A 6 -3.351 0.985 -1.652 1.00 14.22 H ATOM 83 HG12 ILE A 6 -3.463 0.066 1.199 1.00 34.15 H ATOM 84 HG13 ILE A 6 -2.029 0.435 0.224 1.00 4.31 H ATOM 85 HG21 ILE A 6 -5.969 0.664 -1.222 1.00 44.21 H ATOM 86 HG22 ILE A 6 -5.147 2.201 -0.931 1.00 25.32 H ATOM 87 HG23 ILE A 6 -5.481 1.113 0.409 1.00 64.43 H ATOM 88 HD11 ILE A 6 -3.144 2.726 -0.087 1.00 25.34 H ATOM 89 HD12 ILE A 6 -2.311 2.366 1.425 1.00 63.30 H ATOM 90 HD13 ILE A 6 -4.080 2.274 1.341 1.00 52.15 H ATOM 91 N PHE A 7 -4.850 0.089 -3.156 1.00 35.13 N ATOM 92 CA PHE A 7 -5.262 0.333 -4.498 1.00 70.23 C ATOM 93 C PHE A 7 -4.160 -0.041 -5.468 1.00 4.41 C ATOM 94 O PHE A 7 -4.195 -1.088 -6.117 1.00 62.31 O ATOM 95 CB PHE A 7 -5.589 1.823 -4.524 1.00 21.44 C ATOM 96 CG PHE A 7 -7.011 2.067 -4.144 1.00 63.30 C ATOM 97 CD1 PHE A 7 -8.023 1.877 -5.062 1.00 50.01 C ATOM 98 CD2 PHE A 7 -7.339 2.430 -2.849 1.00 72.13 C ATOM 99 CE1 PHE A 7 -9.342 2.044 -4.697 1.00 51.45 C ATOM 100 CE2 PHE A 7 -8.652 2.608 -2.477 1.00 13.23 C ATOM 101 CZ PHE A 7 -9.656 2.412 -3.402 1.00 23.43 C ATOM 102 H PHE A 7 -4.856 0.841 -2.554 1.00 41.11 H ATOM 103 HA PHE A 7 -6.141 -0.229 -4.711 1.00 0.54 H ATOM 104 HB2 PHE A 7 -4.958 2.327 -3.786 1.00 33.21 H ATOM 105 HB3 PHE A 7 -5.404 2.232 -5.492 1.00 54.41 H ATOM 106 HD1 PHE A 7 -7.774 1.596 -6.074 1.00 13.20 H ATOM 107 HD2 PHE A 7 -6.550 2.588 -2.127 1.00 23.00 H ATOM 108 HE1 PHE A 7 -10.126 1.893 -5.423 1.00 3.32 H ATOM 109 HE2 PHE A 7 -8.897 2.893 -1.464 1.00 11.12 H ATOM 110 HZ PHE A 7 -10.683 2.536 -3.108 1.00 40.51 H ATOM 111 N GLY A 8 -3.177 0.815 -5.519 1.00 45.33 N ATOM 112 CA GLY A 8 -2.024 0.607 -6.355 1.00 34.05 C ATOM 113 C GLY A 8 -0.805 1.142 -5.658 1.00 0.15 C ATOM 114 O GLY A 8 0.067 1.752 -6.277 1.00 34.31 O ATOM 115 H GLY A 8 -3.223 1.604 -4.948 1.00 1.51 H ATOM 116 HA2 GLY A 8 -1.902 -0.450 -6.548 1.00 41.53 H ATOM 117 HA3 GLY A 8 -2.157 1.132 -7.287 1.00 21.33 H ATOM 118 N GLN A 9 -0.767 0.953 -4.339 1.00 20.33 N ATOM 119 CA GLN A 9 0.301 1.453 -3.553 1.00 11.31 C ATOM 120 C GLN A 9 0.591 0.571 -2.369 1.00 2.34 C ATOM 121 O GLN A 9 -0.242 0.375 -1.484 1.00 40.51 O ATOM 122 CB GLN A 9 -0.031 2.819 -3.053 1.00 1.41 C ATOM 123 CG GLN A 9 -1.403 3.354 -3.444 1.00 12.54 C ATOM 124 CD GLN A 9 -1.421 3.923 -4.846 1.00 4.14 C ATOM 125 OE1 GLN A 9 -2.224 3.520 -5.686 1.00 1.02 O ATOM 126 NE2 GLN A 9 -0.530 4.871 -5.100 1.00 10.05 N ATOM 127 H GLN A 9 -1.485 0.499 -3.884 1.00 65.22 H ATOM 128 HA GLN A 9 1.179 1.512 -4.175 1.00 50.12 H ATOM 129 HB2 GLN A 9 0.026 2.791 -1.983 1.00 44.25 H ATOM 130 HB3 GLN A 9 0.708 3.469 -3.439 1.00 13.41 H ATOM 131 HG2 GLN A 9 -2.124 2.553 -3.384 1.00 41.34 H ATOM 132 HG3 GLN A 9 -1.676 4.136 -2.752 1.00 74.35 H ATOM 133 HE21 GLN A 9 0.073 5.144 -4.377 1.00 2.22 H ATOM 134 HE22 GLN A 9 -0.505 5.257 -6.000 1.00 41.23 H ATOM 135 N TRP A 10 1.789 0.066 -2.375 1.00 74.13 N ATOM 136 CA TRP A 10 2.294 -0.796 -1.349 1.00 13.34 C ATOM 137 C TRP A 10 2.963 0.032 -0.269 1.00 4.11 C ATOM 138 O TRP A 10 3.540 -0.476 0.694 1.00 42.43 O ATOM 139 CB TRP A 10 3.219 -1.757 -2.040 1.00 30.11 C ATOM 140 CG TRP A 10 2.608 -2.315 -3.310 1.00 42.45 C ATOM 141 CD1 TRP A 10 3.238 -2.823 -4.417 1.00 2.11 C ATOM 142 CD2 TRP A 10 1.211 -2.362 -3.601 1.00 33.12 C ATOM 143 NE1 TRP A 10 2.299 -3.168 -5.374 1.00 22.43 N ATOM 144 CE2 TRP A 10 1.047 -2.888 -4.887 1.00 4.41 C ATOM 145 CE3 TRP A 10 0.089 -2.002 -2.879 1.00 23.32 C ATOM 146 CZ2 TRP A 10 -0.219 -3.044 -5.461 1.00 23.24 C ATOM 147 CZ3 TRP A 10 -1.149 -2.150 -3.435 1.00 71.34 C ATOM 148 CH2 TRP A 10 -1.302 -2.659 -4.707 1.00 13.43 C ATOM 149 H TRP A 10 2.376 0.289 -3.107 1.00 61.20 H ATOM 150 HA TRP A 10 1.479 -1.336 -0.905 1.00 41.24 H ATOM 151 HB2 TRP A 10 4.120 -1.229 -2.294 1.00 45.21 H ATOM 152 HB3 TRP A 10 3.421 -2.545 -1.380 1.00 24.24 H ATOM 153 HD1 TRP A 10 4.308 -2.931 -4.516 1.00 23.51 H ATOM 154 HE1 TRP A 10 2.495 -3.548 -6.257 1.00 54.32 H ATOM 155 HE3 TRP A 10 0.182 -1.619 -1.889 1.00 3.44 H ATOM 156 HZ2 TRP A 10 -0.358 -3.441 -6.457 1.00 4.23 H ATOM 157 HZ3 TRP A 10 -2.023 -1.853 -2.887 1.00 11.13 H ATOM 158 HH2 TRP A 10 -2.294 -2.739 -5.087 1.00 54.25 H ATOM 159 N MET A 11 2.814 1.328 -0.456 1.00 54.00 N ATOM 160 CA MET A 11 3.306 2.347 0.450 1.00 0.21 C ATOM 161 C MET A 11 3.281 1.856 1.897 1.00 31.35 C ATOM 162 O MET A 11 4.144 2.208 2.704 1.00 24.14 O ATOM 163 CB MET A 11 2.427 3.598 0.318 1.00 74.41 C ATOM 164 CG MET A 11 0.937 3.367 0.612 1.00 3.10 C ATOM 165 SD MET A 11 0.324 4.424 1.941 1.00 63.13 S ATOM 166 CE MET A 11 0.941 6.025 1.425 1.00 13.01 C ATOM 167 H MET A 11 2.327 1.608 -1.242 1.00 24.03 H ATOM 168 HA MET A 11 4.318 2.590 0.166 1.00 53.00 H ATOM 169 HB2 MET A 11 2.795 4.349 0.997 1.00 31.01 H ATOM 170 HB3 MET A 11 2.510 3.974 -0.687 1.00 3.00 H ATOM 171 HG2 MET A 11 0.362 3.573 -0.285 1.00 1.25 H ATOM 172 HG3 MET A 11 0.785 2.337 0.895 1.00 53.31 H ATOM 173 HE1 MET A 11 1.253 6.580 2.292 1.00 71.54 H ATOM 174 HE2 MET A 11 0.164 6.563 0.913 1.00 0.33 H ATOM 175 HE3 MET A 11 1.779 5.895 0.764 1.00 54.23 H TER 176 MET A 11 ENDMDL CONECT 39 161 CONECT 161 39 MASTER 109 0 0 0 0 0 0 6 92 1 2 1 END