HEADER NEUROPEPTIDE INHIBITOR 23-JUL-09 SMS20088 TITLE SOLUTION STRUCTURE OF NOCICEPTIN ANALOGUE(FORM II) COMPND MOL_ID: 1; COMPND 2 MOLECULE: NOCICEPTIN ANALOGUE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 4 ORGANISM_TAXID: 32630; SOURCE 5 OTHER_DETAILS: CHEMICAL SYNTHESIS KEYWDS HELIX, NOCICEPTIN, SYNTHETIC PEPTIDE MIMETIC, NEUROPEPTIDE INHIBITOR EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR D.P.FAIRLIE,G.RUIZ-GOMEZ JRNL AUTH R.S.HARRISON,N.E.SHEPHERD,H.N.HOANG,G.RUIZ-GOMEZ,T.A.HILL, JRNL AUTH 2 R.W.DRIVER,V.S.DESAI,P.R.YOUNG,G.ABBENANTE,D.P.FAIRLIE JRNL TITL DOWNSIZING HUMAN, BACTERIAL, AND VIRAL PROTEINS TO SHORT JRNL TITL 2 WATER-STABLE ALPHA HELICES THAT MAINTAIN BIOLOGICAL POTENCY JRNL REF PROC.NATL.ACAD.SCI.USA V. 107 11686 2010 JRNL REFN ISSN 0027-8424 JRNL PMID 20543141 JRNL DOI 10.1073/PNAS.1002498107 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR_NIH REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL 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 19-OCT-10. REMARK 100 THE BMRB ID CODE IS SMS20088. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 3-5MM NOCICEPTIN ANALOGUE; 90% REMARK 210 H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY; 2D 1H-1H TOCSY; REMARK 210 2D DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR_NIH REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 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 PHE A 4 46.45 -88.15 REMARK 500 1 LYS A 7 42.19 -86.86 REMARK 500 3 LYS A 7 40.51 -96.99 REMARK 500 4 GLN A 17 -71.33 -61.09 REMARK 500 5 PHE A 4 123.06 70.93 REMARK 500 5 THR A 5 -53.35 -158.83 REMARK 500 5 ARG A 8 -67.93 -98.75 REMARK 500 6 LYS A 7 47.04 -90.23 REMARK 500 8 PHE A 4 88.55 -51.93 REMARK 500 8 LYS A 7 34.60 -95.38 REMARK 500 8 ARG A 8 -60.88 -98.38 REMARK 500 9 PHE A 4 -48.95 -168.45 REMARK 500 10 THR A 5 44.35 -80.39 REMARK 500 11 PHE A 4 -72.00 -174.71 REMARK 500 11 THR A 5 -49.16 -165.26 REMARK 500 12 PHE A 4 55.02 -170.02 REMARK 500 12 THR A 5 44.86 -142.09 REMARK 500 12 GLN A 17 40.63 -82.80 REMARK 500 13 PHE A 4 137.17 70.08 REMARK 500 13 GLN A 17 -73.83 -63.80 REMARK 500 15 PHE A 4 -29.31 78.31 REMARK 500 15 THR A 5 -30.42 89.47 REMARK 500 15 ARG A 8 -31.99 -34.43 REMARK 500 16 THR A 5 48.11 -97.38 REMARK 500 16 LYS A 7 38.52 -85.95 REMARK 500 17 PHE A 4 36.13 -170.45 REMARK 500 18 THR A 5 44.41 -141.92 REMARK 500 20 LYS A 7 47.11 -94.26 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20088 RELATED DB: BMRB REMARK 900 RELATED ID: 20086 RELATED DB: BMRB REMARK 900 NOCICEPTIN AGONIST REMARK 900 RELATED ID: 20087 RELATED DB: BMRB REMARK 900 NOCICEPTIN ANALOGUE(FORM I) REMARK 900 RELATED ID: 20089 RELATED DB: BMRB REMARK 900 NOCICEPTIN ANALOGUE(FORM III) DBREF A 1 18 BMRB SMS20088 SMS20088 1 18 SEQADV NH2 A 19 BMRB SMS20088 AMIDATION SEQRES 1 A 19 PHE GLY GLY PHE THR GLY LYS ARG LYS SER ASP ARG LYS SEQRES 2 A 19 LYS LYS ASN GLN ASP NH2 HET NH2 A 19 3 HETNAM NH2 AMINO GROUP FORMUL 1 NH2 H2 N HELIX 1 1 LYS A 7 ASP A 18 1 12 LINK NZ LYS A 7 CG ASP A 11 1555 1555 1.34 LINK NZ LYS A 14 CG ASP A 18 1555 1555 1.34 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 PHE A 1 11.747 11.840 12.738 1.00 0.00 N ATOM 2 CA PHE A 1 12.819 10.873 12.523 1.00 0.00 C ATOM 3 C PHE A 1 13.462 10.457 13.846 1.00 0.00 C ATOM 4 O PHE A 1 13.641 11.280 14.748 1.00 0.00 O ATOM 5 CB PHE A 1 13.873 11.446 11.563 1.00 0.00 C ATOM 6 CG PHE A 1 14.458 12.767 11.992 1.00 0.00 C ATOM 7 CD1 PHE A 1 15.339 12.842 13.060 1.00 0.00 C ATOM 8 CD2 PHE A 1 14.131 13.932 11.316 1.00 0.00 C ATOM 9 CE1 PHE A 1 15.879 14.054 13.447 1.00 0.00 C ATOM 10 CE2 PHE A 1 14.670 15.146 11.698 1.00 0.00 C ATOM 11 CZ PHE A 1 15.544 15.207 12.765 1.00 0.00 C ATOM 12 H1 PHE A 1 10.913 11.543 13.158 1.00 0.00 H ATOM 13 HA PHE A 1 12.379 9.998 12.068 1.00 0.00 H ATOM 14 HB2 PHE A 1 14.686 10.741 11.475 1.00 0.00 H ATOM 15 HB3 PHE A 1 13.422 11.583 10.592 1.00 0.00 H ATOM 16 HD1 PHE A 1 15.604 11.942 13.593 1.00 0.00 H ATOM 17 HD2 PHE A 1 13.445 13.887 10.483 1.00 0.00 H ATOM 18 HE1 PHE A 1 16.563 14.098 14.282 1.00 0.00 H ATOM 19 HE2 PHE A 1 14.407 16.047 11.163 1.00 0.00 H ATOM 20 HZ PHE A 1 15.966 16.155 13.066 1.00 0.00 H ATOM 21 N GLY A 2 13.798 9.170 13.956 1.00 0.00 N ATOM 22 CA GLY A 2 14.413 8.654 15.169 1.00 0.00 C ATOM 23 C GLY A 2 15.878 9.036 15.296 1.00 0.00 C ATOM 24 O GLY A 2 16.250 10.185 15.048 1.00 0.00 O ATOM 25 H GLY A 2 13.624 8.563 13.206 1.00 0.00 H ATOM 26 HA2 GLY A 2 13.877 9.042 16.023 1.00 0.00 H ATOM 27 HA3 GLY A 2 14.333 7.577 15.168 1.00 0.00 H ATOM 28 N GLY A 3 16.709 8.068 15.685 1.00 0.00 N ATOM 29 CA GLY A 3 18.134 8.318 15.841 1.00 0.00 C ATOM 30 C GLY A 3 18.874 8.356 14.515 1.00 0.00 C ATOM 31 O GLY A 3 18.412 8.975 13.554 1.00 0.00 O ATOM 32 H GLY A 3 16.351 7.174 15.869 1.00 0.00 H ATOM 33 HA2 GLY A 3 18.269 9.265 16.342 1.00 0.00 H ATOM 34 HA3 GLY A 3 18.558 7.537 16.455 1.00 0.00 H ATOM 35 N PHE A 4 20.029 7.689 14.466 1.00 0.00 N ATOM 36 CA PHE A 4 20.848 7.639 13.251 1.00 0.00 C ATOM 37 C PHE A 4 20.442 6.475 12.337 1.00 0.00 C ATOM 38 O PHE A 4 21.297 5.738 11.836 1.00 0.00 O ATOM 39 CB PHE A 4 22.343 7.554 13.611 1.00 0.00 C ATOM 40 CG PHE A 4 22.680 6.544 14.683 1.00 0.00 C ATOM 41 CD1 PHE A 4 22.183 5.248 14.636 1.00 0.00 C ATOM 42 CD2 PHE A 4 23.500 6.900 15.743 1.00 0.00 C ATOM 43 CE1 PHE A 4 22.498 4.333 15.622 1.00 0.00 C ATOM 44 CE2 PHE A 4 23.818 5.988 16.731 1.00 0.00 C ATOM 45 CZ PHE A 4 23.316 4.703 16.670 1.00 0.00 C ATOM 46 H PHE A 4 20.338 7.217 15.268 1.00 0.00 H ATOM 47 HA PHE A 4 20.679 8.561 12.714 1.00 0.00 H ATOM 48 HB2 PHE A 4 22.901 7.288 12.727 1.00 0.00 H ATOM 49 HB3 PHE A 4 22.673 8.524 13.955 1.00 0.00 H ATOM 50 HD1 PHE A 4 21.543 4.955 13.819 1.00 0.00 H ATOM 51 HD2 PHE A 4 23.894 7.904 15.793 1.00 0.00 H ATOM 52 HE1 PHE A 4 22.104 3.329 15.572 1.00 0.00 H ATOM 53 HE2 PHE A 4 24.458 6.279 17.550 1.00 0.00 H ATOM 54 HZ PHE A 4 23.563 3.989 17.442 1.00 0.00 H ATOM 55 N THR A 5 19.134 6.317 12.116 1.00 0.00 N ATOM 56 CA THR A 5 18.619 5.247 11.262 1.00 0.00 C ATOM 57 C THR A 5 19.170 5.353 9.838 1.00 0.00 C ATOM 58 O THR A 5 19.161 6.429 9.235 1.00 0.00 O ATOM 59 CB THR A 5 17.073 5.250 11.211 1.00 0.00 C ATOM 60 OG1 THR A 5 16.606 4.173 10.388 1.00 0.00 O ATOM 61 CG2 THR A 5 16.539 6.571 10.670 1.00 0.00 C ATOM 62 H THR A 5 18.501 6.936 12.535 1.00 0.00 H ATOM 63 HA THR A 5 18.938 4.306 11.687 1.00 0.00 H ATOM 64 HB THR A 5 16.697 5.112 12.215 1.00 0.00 H ATOM 65 HG1 THR A 5 15.705 3.949 10.633 1.00 0.00 H ATOM 66 HG21 THR A 5 17.154 7.383 11.029 1.00 0.00 H ATOM 67 HG22 THR A 5 15.523 6.713 11.007 1.00 0.00 H ATOM 68 HG23 THR A 5 16.561 6.553 9.591 1.00 0.00 H ATOM 69 N GLY A 6 19.645 4.222 9.309 1.00 0.00 N ATOM 70 CA GLY A 6 20.191 4.194 7.961 1.00 0.00 C ATOM 71 C GLY A 6 19.197 4.673 6.920 1.00 0.00 C ATOM 72 O GLY A 6 19.555 5.431 6.016 1.00 0.00 O ATOM 73 H GLY A 6 19.620 3.398 9.840 1.00 0.00 H ATOM 74 HA2 GLY A 6 21.066 4.826 7.926 1.00 0.00 H ATOM 75 HA3 GLY A 6 20.483 3.181 7.725 1.00 0.00 H ATOM 76 N LYS A 7 17.942 4.236 7.051 1.00 0.00 N ATOM 77 CA LYS A 7 16.884 4.627 6.122 1.00 0.00 C ATOM 78 C LYS A 7 16.230 5.946 6.556 1.00 0.00 C ATOM 79 O LYS A 7 15.009 6.094 6.499 1.00 0.00 O ATOM 80 CB LYS A 7 15.822 3.524 6.032 1.00 0.00 C ATOM 81 CG LYS A 7 15.038 3.331 7.322 1.00 0.00 C ATOM 82 CD LYS A 7 13.788 2.494 7.105 1.00 0.00 C ATOM 83 CE LYS A 7 12.731 2.803 8.155 1.00 0.00 C ATOM 84 NZ LYS A 7 12.306 4.204 8.096 1.00 0.00 N1+ ATOM 85 H LYS A 7 17.722 3.638 7.797 1.00 0.00 H ATOM 86 HA LYS A 7 17.331 4.764 5.148 1.00 0.00 H ATOM 87 HB2 LYS A 7 15.126 3.773 5.245 1.00 0.00 H ATOM 88 HB3 LYS A 7 16.308 2.590 5.789 1.00 0.00 H ATOM 89 HG2 LYS A 7 15.669 2.833 8.042 1.00 0.00 H ATOM 90 HG3 LYS A 7 14.751 4.299 7.704 1.00 0.00 H ATOM 91 HD2 LYS A 7 13.384 2.711 6.127 1.00 0.00 H ATOM 92 HD3 LYS A 7 14.050 1.448 7.166 1.00 0.00 H ATOM 93 HE2 LYS A 7 11.874 2.168 7.984 1.00 0.00 H ATOM 94 HE3 LYS A 7 13.141 2.600 9.133 1.00 0.00 H ATOM 95 HZ1 LYS A 7 11.637 4.439 7.423 1.00 0.00 H ATOM 96 N ARG A 8 17.043 6.906 6.986 1.00 0.00 N ATOM 97 CA ARG A 8 16.522 8.197 7.423 1.00 0.00 C ATOM 98 C ARG A 8 15.569 8.779 6.381 1.00 0.00 C ATOM 99 O ARG A 8 14.527 9.335 6.726 1.00 0.00 O ATOM 100 CB ARG A 8 17.667 9.179 7.701 1.00 0.00 C ATOM 101 CG ARG A 8 18.562 9.444 6.499 1.00 0.00 C ATOM 102 CD ARG A 8 19.667 10.434 6.832 1.00 0.00 C ATOM 103 NE ARG A 8 20.532 10.702 5.682 1.00 0.00 N ATOM 104 CZ ARG A 8 21.575 11.536 5.708 1.00 0.00 C ATOM 105 NH1 ARG A 8 21.890 12.191 6.823 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 22.306 11.716 4.613 1.00 0.00 N ATOM 107 H ARG A 8 18.006 6.747 7.008 1.00 0.00 H ATOM 108 HA ARG A 8 15.972 8.035 8.337 1.00 0.00 H ATOM 109 HB2 ARG A 8 17.246 10.121 8.021 1.00 0.00 H ATOM 110 HB3 ARG A 8 18.279 8.782 8.497 1.00 0.00 H ATOM 111 HG2 ARG A 8 19.010 8.514 6.183 1.00 0.00 H ATOM 112 HG3 ARG A 8 17.961 9.847 5.697 1.00 0.00 H ATOM 113 HD2 ARG A 8 19.217 11.361 7.155 1.00 0.00 H ATOM 114 HD3 ARG A 8 20.267 10.027 7.634 1.00 0.00 H ATOM 115 HE ARG A 8 20.326 10.236 4.844 1.00 0.00 H ATOM 116 HH11 ARG A 8 21.345 12.063 7.652 1.00 0.00 H ATOM 117 HH12 ARG A 8 22.673 12.814 6.833 1.00 0.00 H ATOM 118 HH21 ARG A 8 22.075 11.227 3.771 1.00 0.00 H ATOM 119 HH22 ARG A 8 23.087 12.340 4.630 1.00 0.00 H ATOM 120 N LYS A 9 15.937 8.645 5.108 1.00 0.00 N ATOM 121 CA LYS A 9 15.121 9.156 4.008 1.00 0.00 C ATOM 122 C LYS A 9 13.780 8.423 3.928 1.00 0.00 C ATOM 123 O LYS A 9 12.726 9.053 3.848 1.00 0.00 O ATOM 124 CB LYS A 9 15.889 9.021 2.683 1.00 0.00 C ATOM 125 CG LYS A 9 15.232 9.708 1.487 1.00 0.00 C ATOM 126 CD LYS A 9 13.986 8.976 1.001 1.00 0.00 C ATOM 127 CE LYS A 9 14.290 7.536 0.614 1.00 0.00 C ATOM 128 NZ LYS A 9 13.071 6.815 0.151 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.782 8.188 4.905 1.00 0.00 H ATOM 130 HA LYS A 9 14.932 10.201 4.196 1.00 0.00 H ATOM 131 HB2 LYS A 9 16.873 9.447 2.812 1.00 0.00 H ATOM 132 HB3 LYS A 9 15.994 7.971 2.452 1.00 0.00 H ATOM 133 HG2 LYS A 9 14.953 10.711 1.774 1.00 0.00 H ATOM 134 HG3 LYS A 9 15.948 9.754 0.679 1.00 0.00 H ATOM 135 HD2 LYS A 9 13.247 8.979 1.784 1.00 0.00 H ATOM 136 HD3 LYS A 9 13.595 9.494 0.137 1.00 0.00 H ATOM 137 HE2 LYS A 9 15.020 7.536 -0.181 1.00 0.00 H ATOM 138 HE3 LYS A 9 14.696 7.023 1.474 1.00 0.00 H ATOM 139 HZ1 LYS A 9 12.297 6.947 0.833 1.00 0.00 H ATOM 140 HZ2 LYS A 9 13.270 5.798 0.062 1.00 0.00 H ATOM 141 HZ3 LYS A 9 12.771 7.180 -0.775 1.00 0.00 H ATOM 142 N SER A 10 13.832 7.091 3.945 1.00 0.00 N ATOM 143 CA SER A 10 12.626 6.261 3.863 1.00 0.00 C ATOM 144 C SER A 10 11.670 6.511 5.032 1.00 0.00 C ATOM 145 O SER A 10 10.465 6.665 4.828 1.00 0.00 O ATOM 146 CB SER A 10 13.007 4.779 3.812 1.00 0.00 C ATOM 147 OG SER A 10 11.859 3.957 3.688 1.00 0.00 O ATOM 148 H SER A 10 14.706 6.652 4.006 1.00 0.00 H ATOM 149 HA SER A 10 12.119 6.517 2.947 1.00 0.00 H ATOM 150 HB2 SER A 10 13.652 4.604 2.964 1.00 0.00 H ATOM 151 HB3 SER A 10 13.528 4.513 4.720 1.00 0.00 H ATOM 152 HG SER A 10 11.668 3.810 2.759 1.00 0.00 H ATOM 153 N ASP A 11 12.208 6.540 6.252 1.00 0.00 N ATOM 154 CA ASP A 11 11.393 6.758 7.450 1.00 0.00 C ATOM 155 C ASP A 11 10.750 8.145 7.443 1.00 0.00 C ATOM 156 O ASP A 11 9.555 8.282 7.714 1.00 0.00 O ATOM 157 CB ASP A 11 12.237 6.577 8.720 1.00 0.00 C ATOM 158 CG ASP A 11 12.781 5.160 8.906 1.00 0.00 C ATOM 159 OD1 ASP A 11 13.617 4.930 9.781 1.00 0.00 O ATOM 160 H ASP A 11 13.173 6.404 6.349 1.00 0.00 H ATOM 161 HA ASP A 11 10.606 6.021 7.449 1.00 0.00 H ATOM 162 HB2 ASP A 11 13.077 7.254 8.680 1.00 0.00 H ATOM 163 HB3 ASP A 11 11.631 6.822 9.580 1.00 0.00 H ATOM 164 N ARG A 12 11.545 9.168 7.129 1.00 0.00 N ATOM 165 CA ARG A 12 11.049 10.545 7.083 1.00 0.00 C ATOM 166 C ARG A 12 10.042 10.725 5.951 1.00 0.00 C ATOM 167 O ARG A 12 9.000 11.356 6.128 1.00 0.00 O ATOM 168 CB ARG A 12 12.207 11.534 6.921 1.00 0.00 C ATOM 169 CG ARG A 12 13.120 11.602 8.136 1.00 0.00 C ATOM 170 CD ARG A 12 14.283 12.560 7.919 1.00 0.00 C ATOM 171 NE ARG A 12 15.156 12.137 6.822 1.00 0.00 N ATOM 172 CZ ARG A 12 16.277 12.771 6.470 1.00 0.00 C ATOM 173 NH1 ARG A 12 16.674 13.858 7.128 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 17.006 12.314 5.458 1.00 0.00 N ATOM 175 H ARG A 12 12.487 8.992 6.919 1.00 0.00 H ATOM 176 HA ARG A 12 10.550 10.743 8.019 1.00 0.00 H ATOM 177 HB2 ARG A 12 12.799 11.241 6.067 1.00 0.00 H ATOM 178 HB3 ARG A 12 11.802 12.520 6.746 1.00 0.00 H ATOM 179 HG2 ARG A 12 12.546 11.940 8.985 1.00 0.00 H ATOM 180 HG3 ARG A 12 13.511 10.615 8.335 1.00 0.00 H ATOM 181 HD2 ARG A 12 13.888 13.539 7.693 1.00 0.00 H ATOM 182 HD3 ARG A 12 14.864 12.610 8.829 1.00 0.00 H ATOM 183 HE ARG A 12 14.892 11.339 6.318 1.00 0.00 H ATOM 184 HH11 ARG A 12 16.134 14.209 7.893 1.00 0.00 H ATOM 185 HH12 ARG A 12 17.516 14.326 6.858 1.00 0.00 H ATOM 186 HH21 ARG A 12 16.715 11.497 4.960 1.00 0.00 H ATOM 187 HH22 ARG A 12 17.847 12.786 5.193 1.00 0.00 H ATOM 188 N LYS A 13 10.357 10.160 4.792 1.00 0.00 N ATOM 189 CA LYS A 13 9.475 10.253 3.633 1.00 0.00 C ATOM 190 C LYS A 13 8.126 9.599 3.923 1.00 0.00 C ATOM 191 O LYS A 13 7.077 10.191 3.671 1.00 0.00 O ATOM 192 CB LYS A 13 10.128 9.598 2.409 1.00 0.00 C ATOM 193 CG LYS A 13 9.241 9.575 1.171 1.00 0.00 C ATOM 194 CD LYS A 13 8.826 10.976 0.748 1.00 0.00 C ATOM 195 CE LYS A 13 7.923 10.943 -0.475 1.00 0.00 C ATOM 196 NZ LYS A 13 7.489 12.307 -0.886 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.200 9.666 4.716 1.00 0.00 H ATOM 198 HA LYS A 13 9.314 11.299 3.426 1.00 0.00 H ATOM 199 HB2 LYS A 13 11.031 10.139 2.166 1.00 0.00 H ATOM 200 HB3 LYS A 13 10.388 8.579 2.657 1.00 0.00 H ATOM 201 HG2 LYS A 13 9.784 9.113 0.361 1.00 0.00 H ATOM 202 HG3 LYS A 13 8.355 8.996 1.387 1.00 0.00 H ATOM 203 HD2 LYS A 13 8.295 11.446 1.562 1.00 0.00 H ATOM 204 HD3 LYS A 13 9.712 11.548 0.515 1.00 0.00 H ATOM 205 HE2 LYS A 13 8.461 10.486 -1.292 1.00 0.00 H ATOM 206 HE3 LYS A 13 7.049 10.350 -0.245 1.00 0.00 H ATOM 207 HZ1 LYS A 13 8.317 12.890 -1.124 1.00 0.00 H ATOM 208 HZ2 LYS A 13 6.968 12.766 -0.111 1.00 0.00 H ATOM 209 HZ3 LYS A 13 6.868 12.249 -1.718 1.00 0.00 H ATOM 210 N LYS A 14 8.166 8.378 4.459 1.00 0.00 N ATOM 211 CA LYS A 14 6.951 7.635 4.792 1.00 0.00 C ATOM 212 C LYS A 14 6.088 8.403 5.791 1.00 0.00 C ATOM 213 O LYS A 14 4.863 8.437 5.658 1.00 0.00 O ATOM 214 CB LYS A 14 7.312 6.248 5.345 1.00 0.00 C ATOM 215 CG LYS A 14 6.111 5.418 5.780 1.00 0.00 C ATOM 216 CD LYS A 14 5.617 5.817 7.164 1.00 0.00 C ATOM 217 CE LYS A 14 4.343 5.081 7.537 1.00 0.00 C ATOM 218 NZ LYS A 14 3.230 5.408 6.644 1.00 0.00 N1+ ATOM 219 H LYS A 14 9.038 7.968 4.637 1.00 0.00 H ATOM 220 HA LYS A 14 6.385 7.509 3.881 1.00 0.00 H ATOM 221 HB2 LYS A 14 7.841 5.699 4.581 1.00 0.00 H ATOM 222 HB3 LYS A 14 7.962 6.374 6.198 1.00 0.00 H ATOM 223 HG2 LYS A 14 5.311 5.561 5.069 1.00 0.00 H ATOM 224 HG3 LYS A 14 6.396 4.376 5.796 1.00 0.00 H ATOM 225 HD2 LYS A 14 6.380 5.580 7.889 1.00 0.00 H ATOM 226 HD3 LYS A 14 5.423 6.877 7.179 1.00 0.00 H ATOM 227 HE2 LYS A 14 4.529 4.018 7.486 1.00 0.00 H ATOM 228 HE3 LYS A 14 4.071 5.348 8.548 1.00 0.00 H ATOM 229 HZ1 LYS A 14 3.107 4.845 5.851 1.00 0.00 H ATOM 230 N LYS A 15 6.729 9.022 6.785 1.00 0.00 N ATOM 231 CA LYS A 15 6.012 9.797 7.799 1.00 0.00 C ATOM 232 C LYS A 15 5.100 10.825 7.133 1.00 0.00 C ATOM 233 O LYS A 15 3.965 11.034 7.563 1.00 0.00 O ATOM 234 CB LYS A 15 7.001 10.493 8.740 1.00 0.00 C ATOM 235 CG LYS A 15 6.336 11.310 9.837 1.00 0.00 C ATOM 236 CD LYS A 15 7.364 11.976 10.739 1.00 0.00 C ATOM 237 CE LYS A 15 6.703 12.816 11.822 1.00 0.00 C ATOM 238 NZ LYS A 15 5.895 13.932 11.252 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.705 8.963 6.833 1.00 0.00 H ATOM 240 HA LYS A 15 5.402 9.111 8.369 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.622 9.743 9.208 1.00 0.00 H ATOM 242 HB3 LYS A 15 7.628 11.154 8.159 1.00 0.00 H ATOM 243 HG2 LYS A 15 5.723 12.074 9.382 1.00 0.00 H ATOM 244 HG3 LYS A 15 5.716 10.657 10.433 1.00 0.00 H ATOM 245 HD2 LYS A 15 7.964 11.211 11.209 1.00 0.00 H ATOM 246 HD3 LYS A 15 7.997 12.613 10.137 1.00 0.00 H ATOM 247 HE2 LYS A 15 6.056 12.180 12.408 1.00 0.00 H ATOM 248 HE3 LYS A 15 7.472 13.229 12.458 1.00 0.00 H ATOM 249 HZ1 LYS A 15 6.420 14.400 10.485 1.00 0.00 H ATOM 250 HZ2 LYS A 15 5.685 14.634 11.990 1.00 0.00 H ATOM 251 HZ3 LYS A 15 4.998 13.567 10.872 1.00 0.00 H ATOM 252 N ASN A 16 5.603 11.445 6.067 1.00 0.00 N ATOM 253 CA ASN A 16 4.838 12.432 5.312 1.00 0.00 C ATOM 254 C ASN A 16 3.820 11.730 4.407 1.00 0.00 C ATOM 255 O ASN A 16 2.688 12.194 4.253 1.00 0.00 O ATOM 256 CB ASN A 16 5.783 13.305 4.472 1.00 0.00 C ATOM 257 CG ASN A 16 5.098 14.485 3.783 1.00 0.00 C ATOM 258 OD1 ASN A 16 5.702 15.141 2.934 1.00 0.00 O ATOM 259 ND2 ASN A 16 3.851 14.785 4.150 1.00 0.00 N ATOM 260 H ASN A 16 6.510 11.217 5.770 1.00 0.00 H ATOM 261 HA ASN A 16 4.311 13.055 6.018 1.00 0.00 H ATOM 262 HB2 ASN A 16 6.556 13.697 5.114 1.00 0.00 H ATOM 263 HB3 ASN A 16 6.240 12.688 3.711 1.00 0.00 H ATOM 264 HD21 ASN A 16 3.423 14.244 4.844 1.00 0.00 H ATOM 265 HD22 ASN A 16 3.411 15.541 3.708 1.00 0.00 H ATOM 266 N GLN A 17 4.240 10.610 3.809 1.00 0.00 N ATOM 267 CA GLN A 17 3.384 9.832 2.912 1.00 0.00 C ATOM 268 C GLN A 17 2.099 9.373 3.603 1.00 0.00 C ATOM 269 O GLN A 17 1.007 9.806 3.230 1.00 0.00 O ATOM 270 CB GLN A 17 4.153 8.622 2.365 1.00 0.00 C ATOM 271 CG GLN A 17 5.260 8.994 1.390 1.00 0.00 C ATOM 272 CD GLN A 17 6.020 7.785 0.875 1.00 0.00 C ATOM 273 OE1 GLN A 17 6.624 7.042 1.648 1.00 0.00 O ATOM 274 NE2 GLN A 17 5.998 7.584 -0.439 1.00 0.00 N ATOM 275 H GLN A 17 5.155 10.301 3.974 1.00 0.00 H ATOM 276 HA GLN A 17 3.116 10.470 2.086 1.00 0.00 H ATOM 277 HB2 GLN A 17 4.598 8.090 3.193 1.00 0.00 H ATOM 278 HB3 GLN A 17 3.462 7.966 1.860 1.00 0.00 H ATOM 279 HG2 GLN A 17 4.821 9.508 0.548 1.00 0.00 H ATOM 280 HG3 GLN A 17 5.955 9.652 1.888 1.00 0.00 H ATOM 281 HE21 GLN A 17 5.499 8.216 -0.998 1.00 0.00 H ATOM 282 HE22 GLN A 17 6.481 6.810 -0.796 1.00 0.00 H ATOM 283 N ASP A 18 2.226 8.504 4.608 1.00 0.00 N ATOM 284 CA ASP A 18 1.054 8.008 5.334 1.00 0.00 C ATOM 285 C ASP A 18 0.677 8.928 6.499 1.00 0.00 C ATOM 286 O ASP A 18 -0.483 8.976 6.910 1.00 0.00 O ATOM 287 CB ASP A 18 1.261 6.566 5.830 1.00 0.00 C ATOM 288 CG ASP A 18 2.370 6.406 6.861 1.00 0.00 C ATOM 289 OD1 ASP A 18 2.431 7.139 7.849 1.00 0.00 O ATOM 290 H ASP A 18 3.119 8.194 4.865 1.00 0.00 H ATOM 291 HA ASP A 18 0.230 8.008 4.635 1.00 0.00 H ATOM 292 HB2 ASP A 18 0.343 6.217 6.275 1.00 0.00 H ATOM 293 HB3 ASP A 18 1.497 5.940 4.981 1.00 0.00 H HETATM 294 N NH2 A 19 1.649 9.663 7.033 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.553 9.581 6.664 1.00 0.00 H HETATM 296 HN2 NH2 A 19 1.421 10.259 7.777 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 2 ATOM 1 N PHE A 1 22.413 10.268 3.691 1.00 0.00 N ATOM 2 CA PHE A 1 23.571 9.460 3.326 1.00 0.00 C ATOM 3 C PHE A 1 23.132 8.062 2.887 1.00 0.00 C ATOM 4 O PHE A 1 22.300 7.432 3.543 1.00 0.00 O ATOM 5 CB PHE A 1 24.541 9.360 4.508 1.00 0.00 C ATOM 6 CG PHE A 1 25.874 8.761 4.152 1.00 0.00 C ATOM 7 CD1 PHE A 1 26.636 9.292 3.121 1.00 0.00 C ATOM 8 CD2 PHE A 1 26.365 7.667 4.850 1.00 0.00 C ATOM 9 CE1 PHE A 1 27.861 8.744 2.793 1.00 0.00 C ATOM 10 CE2 PHE A 1 27.590 7.115 4.524 1.00 0.00 C ATOM 11 CZ PHE A 1 28.339 7.654 3.495 1.00 0.00 C ATOM 12 H1 PHE A 1 22.023 10.872 3.026 1.00 0.00 H ATOM 13 HA PHE A 1 24.070 9.946 2.499 1.00 0.00 H ATOM 14 HB2 PHE A 1 24.717 10.348 4.908 1.00 0.00 H ATOM 15 HB3 PHE A 1 24.094 8.743 5.276 1.00 0.00 H ATOM 16 HD1 PHE A 1 26.265 10.145 2.571 1.00 0.00 H ATOM 17 HD2 PHE A 1 25.780 7.245 5.654 1.00 0.00 H ATOM 18 HE1 PHE A 1 28.446 9.167 1.988 1.00 0.00 H ATOM 19 HE2 PHE A 1 27.961 6.263 5.076 1.00 0.00 H ATOM 20 HZ PHE A 1 29.295 7.223 3.240 1.00 0.00 H ATOM 21 N GLY A 2 23.696 7.586 1.773 1.00 0.00 N ATOM 22 CA GLY A 2 23.350 6.266 1.262 1.00 0.00 C ATOM 23 C GLY A 2 23.674 5.153 2.244 1.00 0.00 C ATOM 24 O GLY A 2 22.831 4.295 2.513 1.00 0.00 O ATOM 25 H GLY A 2 24.352 8.134 1.295 1.00 0.00 H ATOM 26 HA2 GLY A 2 22.293 6.243 1.046 1.00 0.00 H ATOM 27 HA3 GLY A 2 23.897 6.093 0.347 1.00 0.00 H ATOM 28 N GLY A 3 24.895 5.173 2.780 1.00 0.00 N ATOM 29 CA GLY A 3 25.317 4.162 3.736 1.00 0.00 C ATOM 30 C GLY A 3 24.684 4.356 5.102 1.00 0.00 C ATOM 31 O GLY A 3 23.487 4.122 5.276 1.00 0.00 O ATOM 32 H GLY A 3 25.518 5.887 2.526 1.00 0.00 H ATOM 33 HA2 GLY A 3 25.040 3.188 3.359 1.00 0.00 H ATOM 34 HA3 GLY A 3 26.390 4.205 3.839 1.00 0.00 H ATOM 35 N PHE A 4 25.498 4.782 6.070 1.00 0.00 N ATOM 36 CA PHE A 4 25.030 5.013 7.437 1.00 0.00 C ATOM 37 C PHE A 4 23.801 5.924 7.463 1.00 0.00 C ATOM 38 O PHE A 4 23.776 6.968 6.808 1.00 0.00 O ATOM 39 CB PHE A 4 26.154 5.633 8.277 1.00 0.00 C ATOM 40 CG PHE A 4 25.745 6.009 9.677 1.00 0.00 C ATOM 41 CD1 PHE A 4 25.128 5.086 10.507 1.00 0.00 C ATOM 42 CD2 PHE A 4 25.985 7.285 10.163 1.00 0.00 C ATOM 43 CE1 PHE A 4 24.757 5.430 11.794 1.00 0.00 C ATOM 44 CE2 PHE A 4 25.616 7.635 11.448 1.00 0.00 C ATOM 45 CZ PHE A 4 25.001 6.705 12.265 1.00 0.00 C ATOM 46 H PHE A 4 26.441 4.945 5.860 1.00 0.00 H ATOM 47 HA PHE A 4 24.763 4.057 7.861 1.00 0.00 H ATOM 48 HB2 PHE A 4 26.966 4.927 8.352 1.00 0.00 H ATOM 49 HB3 PHE A 4 26.509 6.527 7.784 1.00 0.00 H ATOM 50 HD1 PHE A 4 24.936 4.090 10.140 1.00 0.00 H ATOM 51 HD2 PHE A 4 26.464 8.014 9.525 1.00 0.00 H ATOM 52 HE1 PHE A 4 24.276 4.701 12.430 1.00 0.00 H ATOM 53 HE2 PHE A 4 25.810 8.633 11.815 1.00 0.00 H ATOM 54 HZ PHE A 4 24.713 6.975 13.271 1.00 0.00 H ATOM 55 N THR A 5 22.788 5.515 8.231 1.00 0.00 N ATOM 56 CA THR A 5 21.548 6.281 8.366 1.00 0.00 C ATOM 57 C THR A 5 20.793 6.365 7.030 1.00 0.00 C ATOM 58 O THR A 5 20.155 7.376 6.725 1.00 0.00 O ATOM 59 CB THR A 5 21.833 7.707 8.900 1.00 0.00 C ATOM 60 OG1 THR A 5 22.723 7.641 10.021 1.00 0.00 O ATOM 61 CG2 THR A 5 20.549 8.407 9.327 1.00 0.00 C ATOM 62 H THR A 5 22.879 4.674 8.727 1.00 0.00 H ATOM 63 HA THR A 5 20.922 5.771 9.085 1.00 0.00 H ATOM 64 HB THR A 5 22.296 8.285 8.114 1.00 0.00 H ATOM 65 HG1 THR A 5 22.324 7.116 10.721 1.00 0.00 H ATOM 66 HG21 THR A 5 20.751 9.036 10.181 1.00 0.00 H ATOM 67 HG22 THR A 5 19.807 7.668 9.593 1.00 0.00 H ATOM 68 HG23 THR A 5 20.181 9.012 8.511 1.00 0.00 H ATOM 69 N GLY A 6 20.861 5.288 6.243 1.00 0.00 N ATOM 70 CA GLY A 6 20.179 5.250 4.958 1.00 0.00 C ATOM 71 C GLY A 6 18.667 5.274 5.097 1.00 0.00 C ATOM 72 O GLY A 6 17.980 5.958 4.337 1.00 0.00 O ATOM 73 H GLY A 6 21.374 4.507 6.539 1.00 0.00 H ATOM 74 HA2 GLY A 6 20.488 6.105 4.375 1.00 0.00 H ATOM 75 HA3 GLY A 6 20.467 4.350 4.436 1.00 0.00 H ATOM 76 N LYS A 7 18.152 4.523 6.073 1.00 0.00 N ATOM 77 CA LYS A 7 16.711 4.449 6.323 1.00 0.00 C ATOM 78 C LYS A 7 16.117 5.816 6.690 1.00 0.00 C ATOM 79 O LYS A 7 14.933 6.059 6.451 1.00 0.00 O ATOM 80 CB LYS A 7 16.413 3.452 7.445 1.00 0.00 C ATOM 81 CG LYS A 7 14.926 3.308 7.730 1.00 0.00 C ATOM 82 CD LYS A 7 14.653 3.031 9.198 1.00 0.00 C ATOM 83 CE LYS A 7 13.227 3.409 9.565 1.00 0.00 C ATOM 84 NZ LYS A 7 12.932 4.802 9.215 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.758 4.002 6.642 1.00 0.00 H ATOM 86 HA LYS A 7 16.239 4.101 5.417 1.00 0.00 H ATOM 87 HB2 LYS A 7 16.803 2.484 7.167 1.00 0.00 H ATOM 88 HB3 LYS A 7 16.902 3.785 8.349 1.00 0.00 H ATOM 89 HG2 LYS A 7 14.426 4.221 7.451 1.00 0.00 H ATOM 90 HG3 LYS A 7 14.538 2.490 7.142 1.00 0.00 H ATOM 91 HD2 LYS A 7 14.798 1.978 9.392 1.00 0.00 H ATOM 92 HD3 LYS A 7 15.338 3.610 9.801 1.00 0.00 H ATOM 93 HE2 LYS A 7 12.545 2.761 9.033 1.00 0.00 H ATOM 94 HE3 LYS A 7 13.094 3.277 10.629 1.00 0.00 H ATOM 95 HZ1 LYS A 7 13.657 5.455 9.310 1.00 0.00 H ATOM 96 N ARG A 8 16.934 6.696 7.281 1.00 0.00 N ATOM 97 CA ARG A 8 16.470 8.027 7.686 1.00 0.00 C ATOM 98 C ARG A 8 15.662 8.688 6.572 1.00 0.00 C ATOM 99 O ARG A 8 14.670 9.371 6.833 1.00 0.00 O ATOM 100 CB ARG A 8 17.662 8.909 8.077 1.00 0.00 C ATOM 101 CG ARG A 8 17.283 10.323 8.488 1.00 0.00 C ATOM 102 CD ARG A 8 16.277 10.334 9.631 1.00 0.00 C ATOM 103 NE ARG A 8 15.964 11.694 10.072 1.00 0.00 N ATOM 104 CZ ARG A 8 15.396 12.625 9.296 1.00 0.00 C ATOM 105 NH1 ARG A 8 14.999 12.332 8.060 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 15.208 13.854 9.766 1.00 0.00 N ATOM 107 H ARG A 8 17.866 6.449 7.450 1.00 0.00 H ATOM 108 HA ARG A 8 15.831 7.902 8.548 1.00 0.00 H ATOM 109 HB2 ARG A 8 18.176 8.447 8.906 1.00 0.00 H ATOM 110 HB3 ARG A 8 18.339 8.971 7.238 1.00 0.00 H ATOM 111 HG2 ARG A 8 18.173 10.845 8.805 1.00 0.00 H ATOM 112 HG3 ARG A 8 16.853 10.829 7.637 1.00 0.00 H ATOM 113 HD2 ARG A 8 15.368 9.854 9.300 1.00 0.00 H ATOM 114 HD3 ARG A 8 16.691 9.782 10.463 1.00 0.00 H ATOM 115 HE ARG A 8 16.207 11.935 10.990 1.00 0.00 H ATOM 116 HH11 ARG A 8 15.117 11.408 7.698 1.00 0.00 H ATOM 117 HH12 ARG A 8 14.584 13.040 7.489 1.00 0.00 H ATOM 118 HH21 ARG A 8 15.488 14.081 10.699 1.00 0.00 H ATOM 119 HH22 ARG A 8 14.788 14.552 9.187 1.00 0.00 H ATOM 120 N LYS A 9 16.091 8.468 5.332 1.00 0.00 N ATOM 121 CA LYS A 9 15.409 9.028 4.167 1.00 0.00 C ATOM 122 C LYS A 9 14.056 8.344 3.941 1.00 0.00 C ATOM 123 O LYS A 9 13.037 9.013 3.745 1.00 0.00 O ATOM 124 CB LYS A 9 16.290 8.877 2.920 1.00 0.00 C ATOM 125 CG LYS A 9 15.714 9.533 1.672 1.00 0.00 C ATOM 126 CD LYS A 9 15.597 11.043 1.835 1.00 0.00 C ATOM 127 CE LYS A 9 16.959 11.696 2.029 1.00 0.00 C ATOM 128 NZ LYS A 9 16.845 13.166 2.242 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.884 7.905 5.197 1.00 0.00 H ATOM 130 HA LYS A 9 15.242 10.076 4.353 1.00 0.00 H ATOM 131 HB2 LYS A 9 17.254 9.323 3.119 1.00 0.00 H ATOM 132 HB3 LYS A 9 16.427 7.824 2.717 1.00 0.00 H ATOM 133 HG2 LYS A 9 16.359 9.319 0.834 1.00 0.00 H ATOM 134 HG3 LYS A 9 14.732 9.123 1.486 1.00 0.00 H ATOM 135 HD2 LYS A 9 15.136 11.454 0.949 1.00 0.00 H ATOM 136 HD3 LYS A 9 14.980 11.254 2.695 1.00 0.00 H ATOM 137 HE2 LYS A 9 17.437 11.254 2.889 1.00 0.00 H ATOM 138 HE3 LYS A 9 17.560 11.514 1.150 1.00 0.00 H ATOM 139 HZ1 LYS A 9 16.403 13.616 1.415 1.00 0.00 H ATOM 140 HZ2 LYS A 9 17.788 13.580 2.384 1.00 0.00 H ATOM 141 HZ3 LYS A 9 16.263 13.361 3.081 1.00 0.00 H ATOM 142 N SER A 10 14.060 7.008 3.970 1.00 0.00 N ATOM 143 CA SER A 10 12.844 6.217 3.764 1.00 0.00 C ATOM 144 C SER A 10 11.734 6.605 4.741 1.00 0.00 C ATOM 145 O SER A 10 10.608 6.884 4.324 1.00 0.00 O ATOM 146 CB SER A 10 13.156 4.723 3.899 1.00 0.00 C ATOM 147 OG SER A 10 11.990 3.936 3.717 1.00 0.00 O ATOM 148 H SER A 10 14.908 6.543 4.131 1.00 0.00 H ATOM 149 HA SER A 10 12.499 6.407 2.761 1.00 0.00 H ATOM 150 HB2 SER A 10 13.883 4.441 3.153 1.00 0.00 H ATOM 151 HB3 SER A 10 13.557 4.529 4.884 1.00 0.00 H ATOM 152 HG SER A 10 11.820 3.828 2.778 1.00 0.00 H ATOM 153 N ASP A 11 12.053 6.618 6.036 1.00 0.00 N ATOM 154 CA ASP A 11 11.071 6.970 7.065 1.00 0.00 C ATOM 155 C ASP A 11 10.622 8.425 6.944 1.00 0.00 C ATOM 156 O ASP A 11 9.447 8.728 7.144 1.00 0.00 O ATOM 157 CB ASP A 11 11.623 6.706 8.472 1.00 0.00 C ATOM 158 CG ASP A 11 11.743 5.222 8.783 1.00 0.00 C ATOM 159 OD1 ASP A 11 10.777 4.470 8.644 1.00 0.00 O ATOM 160 H ASP A 11 12.965 6.383 6.305 1.00 0.00 H ATOM 161 HA ASP A 11 10.209 6.339 6.913 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.601 7.154 8.558 1.00 0.00 H ATOM 163 HB3 ASP A 11 10.963 7.154 9.200 1.00 0.00 H ATOM 164 N ARG A 12 11.556 9.323 6.616 1.00 0.00 N ATOM 165 CA ARG A 12 11.238 10.747 6.474 1.00 0.00 C ATOM 166 C ARG A 12 10.048 10.949 5.531 1.00 0.00 C ATOM 167 O ARG A 12 9.107 11.673 5.861 1.00 0.00 O ATOM 168 CB ARG A 12 12.456 11.525 5.964 1.00 0.00 C ATOM 169 CG ARG A 12 12.242 13.033 5.857 1.00 0.00 C ATOM 170 CD ARG A 12 11.996 13.680 7.217 1.00 0.00 C ATOM 171 NE ARG A 12 10.644 13.437 7.722 1.00 0.00 N ATOM 172 CZ ARG A 12 10.213 13.831 8.924 1.00 0.00 C ATOM 173 NH1 ARG A 12 11.030 14.468 9.760 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 8.960 13.589 9.290 1.00 0.00 N ATOM 175 H ARG A 12 12.477 9.023 6.470 1.00 0.00 H ATOM 176 HA ARG A 12 10.969 11.119 7.448 1.00 0.00 H ATOM 177 HB2 ARG A 12 13.283 11.352 6.637 1.00 0.00 H ATOM 178 HB3 ARG A 12 12.722 11.152 4.986 1.00 0.00 H ATOM 179 HG2 ARG A 12 13.122 13.478 5.415 1.00 0.00 H ATOM 180 HG3 ARG A 12 11.389 13.219 5.221 1.00 0.00 H ATOM 181 HD2 ARG A 12 12.707 13.279 7.923 1.00 0.00 H ATOM 182 HD3 ARG A 12 12.148 14.745 7.124 1.00 0.00 H ATOM 183 HE ARG A 12 10.019 12.965 7.133 1.00 0.00 H ATOM 184 HH11 ARG A 12 11.975 14.656 9.495 1.00 0.00 H ATOM 185 HH12 ARG A 12 10.697 14.761 10.657 1.00 0.00 H ATOM 186 HH21 ARG A 12 8.340 13.111 8.668 1.00 0.00 H ATOM 187 HH22 ARG A 12 8.636 13.882 10.189 1.00 0.00 H ATOM 188 N LYS A 13 10.090 10.295 4.370 1.00 0.00 N ATOM 189 CA LYS A 13 9.003 10.398 3.395 1.00 0.00 C ATOM 190 C LYS A 13 7.753 9.655 3.875 1.00 0.00 C ATOM 191 O LYS A 13 6.633 10.134 3.688 1.00 0.00 O ATOM 192 CB LYS A 13 9.441 9.868 2.023 1.00 0.00 C ATOM 193 CG LYS A 13 10.315 10.838 1.237 1.00 0.00 C ATOM 194 CD LYS A 13 11.612 11.156 1.964 1.00 0.00 C ATOM 195 CE LYS A 13 12.461 12.155 1.191 1.00 0.00 C ATOM 196 NZ LYS A 13 11.774 13.467 1.021 1.00 0.00 N1+ ATOM 197 H LYS A 13 10.862 9.723 4.170 1.00 0.00 H ATOM 198 HA LYS A 13 8.757 11.445 3.297 1.00 0.00 H ATOM 199 HB2 LYS A 13 9.996 8.952 2.165 1.00 0.00 H ATOM 200 HB3 LYS A 13 8.559 9.656 1.436 1.00 0.00 H ATOM 201 HG2 LYS A 13 10.554 10.394 0.281 1.00 0.00 H ATOM 202 HG3 LYS A 13 9.765 11.755 1.081 1.00 0.00 H ATOM 203 HD2 LYS A 13 11.377 11.574 2.932 1.00 0.00 H ATOM 204 HD3 LYS A 13 12.173 10.243 2.092 1.00 0.00 H ATOM 205 HE2 LYS A 13 13.384 12.312 1.727 1.00 0.00 H ATOM 206 HE3 LYS A 13 12.677 11.742 0.217 1.00 0.00 H ATOM 207 HZ1 LYS A 13 12.458 14.189 0.715 1.00 0.00 H ATOM 208 HZ2 LYS A 13 11.348 13.770 1.920 1.00 0.00 H ATOM 209 HZ3 LYS A 13 11.025 13.388 0.303 1.00 0.00 H ATOM 210 N LYS A 14 7.953 8.487 4.494 1.00 0.00 N ATOM 211 CA LYS A 14 6.840 7.681 5.002 1.00 0.00 C ATOM 212 C LYS A 14 6.034 8.421 6.065 1.00 0.00 C ATOM 213 O LYS A 14 4.807 8.352 6.069 1.00 0.00 O ATOM 214 CB LYS A 14 7.342 6.346 5.556 1.00 0.00 C ATOM 215 CG LYS A 14 7.653 5.319 4.478 1.00 0.00 C ATOM 216 CD LYS A 14 6.451 5.044 3.574 1.00 0.00 C ATOM 217 CE LYS A 14 5.334 4.290 4.290 1.00 0.00 C ATOM 218 NZ LYS A 14 4.510 5.152 5.146 1.00 0.00 N1+ ATOM 219 H LYS A 14 8.869 8.161 4.612 1.00 0.00 H ATOM 220 HA LYS A 14 6.186 7.480 4.169 1.00 0.00 H ATOM 221 HB2 LYS A 14 8.245 6.523 6.120 1.00 0.00 H ATOM 222 HB3 LYS A 14 6.596 5.934 6.214 1.00 0.00 H ATOM 223 HG2 LYS A 14 8.465 5.688 3.871 1.00 0.00 H ATOM 224 HG3 LYS A 14 7.951 4.397 4.953 1.00 0.00 H ATOM 225 HD2 LYS A 14 6.060 5.985 3.220 1.00 0.00 H ATOM 226 HD3 LYS A 14 6.783 4.457 2.730 1.00 0.00 H ATOM 227 HE2 LYS A 14 4.699 3.833 3.547 1.00 0.00 H ATOM 228 HE3 LYS A 14 5.778 3.516 4.899 1.00 0.00 H ATOM 229 HZ1 LYS A 14 4.932 5.540 5.938 1.00 0.00 H ATOM 230 N LYS A 15 6.716 9.138 6.959 1.00 0.00 N ATOM 231 CA LYS A 15 6.029 9.894 8.005 1.00 0.00 C ATOM 232 C LYS A 15 5.028 10.862 7.382 1.00 0.00 C ATOM 233 O LYS A 15 3.889 10.974 7.838 1.00 0.00 O ATOM 234 CB LYS A 15 7.030 10.667 8.872 1.00 0.00 C ATOM 235 CG LYS A 15 7.396 9.984 10.189 1.00 0.00 C ATOM 236 CD LYS A 15 8.186 8.694 9.990 1.00 0.00 C ATOM 237 CE LYS A 15 7.307 7.536 9.538 1.00 0.00 C ATOM 238 NZ LYS A 15 6.214 7.245 10.508 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.694 9.166 6.906 1.00 0.00 H ATOM 240 HA LYS A 15 5.494 9.191 8.625 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.939 10.812 8.307 1.00 0.00 H ATOM 242 HB3 LYS A 15 6.608 11.634 9.104 1.00 0.00 H ATOM 243 HG2 LYS A 15 7.994 10.665 10.775 1.00 0.00 H ATOM 244 HG3 LYS A 15 6.486 9.757 10.724 1.00 0.00 H ATOM 245 HD2 LYS A 15 8.946 8.863 9.245 1.00 0.00 H ATOM 246 HD3 LYS A 15 8.657 8.430 10.926 1.00 0.00 H ATOM 247 HE2 LYS A 15 6.870 7.780 8.585 1.00 0.00 H ATOM 248 HE3 LYS A 15 7.923 6.656 9.433 1.00 0.00 H ATOM 249 HZ1 LYS A 15 5.819 6.299 10.328 1.00 0.00 H ATOM 250 HZ2 LYS A 15 5.454 7.949 10.413 1.00 0.00 H ATOM 251 HZ3 LYS A 15 6.581 7.277 11.482 1.00 0.00 H ATOM 252 N ASN A 16 5.467 11.549 6.328 1.00 0.00 N ATOM 253 CA ASN A 16 4.623 12.508 5.621 1.00 0.00 C ATOM 254 C ASN A 16 3.642 11.805 4.676 1.00 0.00 C ATOM 255 O ASN A 16 2.458 12.145 4.641 1.00 0.00 O ATOM 256 CB ASN A 16 5.492 13.500 4.842 1.00 0.00 C ATOM 257 CG ASN A 16 4.679 14.595 4.172 1.00 0.00 C ATOM 258 OD1 ASN A 16 3.901 14.334 3.255 1.00 0.00 O ATOM 259 ND2 ASN A 16 4.849 15.830 4.635 1.00 0.00 N ATOM 260 H ASN A 16 6.385 11.403 6.015 1.00 0.00 H ATOM 261 HA ASN A 16 4.056 13.049 6.361 1.00 0.00 H ATOM 262 HB2 ASN A 16 6.192 13.964 5.522 1.00 0.00 H ATOM 263 HB3 ASN A 16 6.039 12.967 4.079 1.00 0.00 H ATOM 264 HD21 ASN A 16 5.481 15.967 5.373 1.00 0.00 H ATOM 265 HD22 ASN A 16 4.334 16.554 4.221 1.00 0.00 H ATOM 266 N GLN A 17 4.142 10.833 3.906 1.00 0.00 N ATOM 267 CA GLN A 17 3.302 10.099 2.954 1.00 0.00 C ATOM 268 C GLN A 17 2.239 9.266 3.668 1.00 0.00 C ATOM 269 O GLN A 17 1.042 9.455 3.445 1.00 0.00 O ATOM 270 CB GLN A 17 4.161 9.197 2.057 1.00 0.00 C ATOM 271 CG GLN A 17 3.358 8.393 1.041 1.00 0.00 C ATOM 272 CD GLN A 17 2.595 9.267 0.059 1.00 0.00 C ATOM 273 OE1 GLN A 17 1.712 10.032 0.447 1.00 0.00 O ATOM 274 NE2 GLN A 17 2.929 9.156 -1.223 1.00 0.00 N ATOM 275 H GLN A 17 5.093 10.612 3.974 1.00 0.00 H ATOM 276 HA GLN A 17 2.804 10.828 2.335 1.00 0.00 H ATOM 277 HB2 GLN A 17 4.866 9.813 1.519 1.00 0.00 H ATOM 278 HB3 GLN A 17 4.705 8.504 2.681 1.00 0.00 H ATOM 279 HG2 GLN A 17 4.035 7.763 0.484 1.00 0.00 H ATOM 280 HG3 GLN A 17 2.651 7.773 1.573 1.00 0.00 H ATOM 281 HE21 GLN A 17 3.639 8.526 -1.465 1.00 0.00 H ATOM 282 HE22 GLN A 17 2.450 9.710 -1.874 1.00 0.00 H ATOM 283 N ASP A 18 2.683 8.347 4.525 1.00 0.00 N ATOM 284 CA ASP A 18 1.770 7.484 5.274 1.00 0.00 C ATOM 285 C ASP A 18 1.023 8.278 6.347 1.00 0.00 C ATOM 286 O ASP A 18 -0.195 8.160 6.483 1.00 0.00 O ATOM 287 CB ASP A 18 2.523 6.314 5.925 1.00 0.00 C ATOM 288 CG ASP A 18 3.220 5.415 4.914 1.00 0.00 C ATOM 289 OD1 ASP A 18 2.603 4.947 3.958 1.00 0.00 O ATOM 290 H ASP A 18 3.649 8.250 4.659 1.00 0.00 H ATOM 291 HA ASP A 18 1.047 7.088 4.576 1.00 0.00 H ATOM 292 HB2 ASP A 18 3.266 6.707 6.601 1.00 0.00 H ATOM 293 HB3 ASP A 18 1.819 5.715 6.484 1.00 0.00 H HETATM 294 N NH2 A 19 1.754 9.083 7.117 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.720 9.131 6.956 1.00 0.00 H HETATM 296 HN2 NH2 A 19 1.295 9.595 7.816 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 3 ATOM 1 N PHE A 1 19.454 13.937 18.007 1.00 0.00 N ATOM 2 CA PHE A 1 19.851 14.561 16.748 1.00 0.00 C ATOM 3 C PHE A 1 19.799 13.553 15.598 1.00 0.00 C ATOM 4 O PHE A 1 19.185 13.815 14.562 1.00 0.00 O ATOM 5 CB PHE A 1 21.263 15.145 16.870 1.00 0.00 C ATOM 6 CG PHE A 1 21.747 15.842 15.627 1.00 0.00 C ATOM 7 CD1 PHE A 1 20.964 16.799 15.002 1.00 0.00 C ATOM 8 CD2 PHE A 1 22.987 15.539 15.085 1.00 0.00 C ATOM 9 CE1 PHE A 1 21.406 17.440 13.862 1.00 0.00 C ATOM 10 CE2 PHE A 1 23.435 16.177 13.944 1.00 0.00 C ATOM 11 CZ PHE A 1 22.643 17.130 13.331 1.00 0.00 C ATOM 12 H1 PHE A 1 18.510 13.945 18.266 1.00 0.00 H ATOM 13 HA PHE A 1 19.156 15.362 16.541 1.00 0.00 H ATOM 14 HB2 PHE A 1 21.278 15.862 17.678 1.00 0.00 H ATOM 15 HB3 PHE A 1 21.955 14.346 17.095 1.00 0.00 H ATOM 16 HD1 PHE A 1 19.996 17.045 15.415 1.00 0.00 H ATOM 17 HD2 PHE A 1 23.606 14.794 15.562 1.00 0.00 H ATOM 18 HE1 PHE A 1 20.786 18.185 13.384 1.00 0.00 H ATOM 19 HE2 PHE A 1 24.402 15.933 13.532 1.00 0.00 H ATOM 20 HZ PHE A 1 22.991 17.630 12.440 1.00 0.00 H ATOM 21 N GLY A 2 20.449 12.404 15.794 1.00 0.00 N ATOM 22 CA GLY A 2 20.473 11.363 14.776 1.00 0.00 C ATOM 23 C GLY A 2 19.213 10.515 14.767 1.00 0.00 C ATOM 24 O GLY A 2 19.278 9.306 14.999 1.00 0.00 O ATOM 25 H GLY A 2 20.918 12.259 16.641 1.00 0.00 H ATOM 26 HA2 GLY A 2 20.586 11.828 13.806 1.00 0.00 H ATOM 27 HA3 GLY A 2 21.322 10.722 14.956 1.00 0.00 H ATOM 28 N GLY A 3 18.066 11.149 14.509 1.00 0.00 N ATOM 29 CA GLY A 3 16.798 10.435 14.483 1.00 0.00 C ATOM 30 C GLY A 3 16.672 9.479 13.308 1.00 0.00 C ATOM 31 O GLY A 3 16.106 9.836 12.273 1.00 0.00 O ATOM 32 H GLY A 3 18.080 12.114 14.337 1.00 0.00 H ATOM 33 HA2 GLY A 3 16.698 9.873 15.401 1.00 0.00 H ATOM 34 HA3 GLY A 3 15.995 11.156 14.431 1.00 0.00 H ATOM 35 N PHE A 4 17.197 8.261 13.474 1.00 0.00 N ATOM 36 CA PHE A 4 17.141 7.237 12.427 1.00 0.00 C ATOM 37 C PHE A 4 17.802 7.724 11.135 1.00 0.00 C ATOM 38 O PHE A 4 17.186 7.723 10.066 1.00 0.00 O ATOM 39 CB PHE A 4 15.684 6.814 12.174 1.00 0.00 C ATOM 40 CG PHE A 4 15.034 6.129 13.351 1.00 0.00 C ATOM 41 CD1 PHE A 4 15.805 5.539 14.344 1.00 0.00 C ATOM 42 CD2 PHE A 4 13.653 6.080 13.466 1.00 0.00 C ATOM 43 CE1 PHE A 4 15.212 4.914 15.423 1.00 0.00 C ATOM 44 CE2 PHE A 4 13.055 5.455 14.544 1.00 0.00 C ATOM 45 CZ PHE A 4 13.835 4.871 15.523 1.00 0.00 C ATOM 46 H PHE A 4 17.630 8.041 14.326 1.00 0.00 H ATOM 47 HA PHE A 4 17.692 6.380 12.787 1.00 0.00 H ATOM 48 HB2 PHE A 4 15.100 7.689 11.935 1.00 0.00 H ATOM 49 HB3 PHE A 4 15.658 6.131 11.338 1.00 0.00 H ATOM 50 HD1 PHE A 4 16.881 5.572 14.267 1.00 0.00 H ATOM 51 HD2 PHE A 4 13.041 6.536 12.700 1.00 0.00 H ATOM 52 HE1 PHE A 4 15.824 4.459 16.186 1.00 0.00 H ATOM 53 HE2 PHE A 4 11.979 5.422 14.620 1.00 0.00 H ATOM 54 HZ PHE A 4 13.371 4.382 16.366 1.00 0.00 H ATOM 55 N THR A 5 19.064 8.143 11.251 1.00 0.00 N ATOM 56 CA THR A 5 19.833 8.641 10.108 1.00 0.00 C ATOM 57 C THR A 5 19.989 7.578 9.018 1.00 0.00 C ATOM 58 O THR A 5 19.950 7.900 7.829 1.00 0.00 O ATOM 59 CB THR A 5 21.234 9.123 10.544 1.00 0.00 C ATOM 60 OG1 THR A 5 21.114 10.136 11.548 1.00 0.00 O ATOM 61 CG2 THR A 5 22.019 9.670 9.358 1.00 0.00 C ATOM 62 H THR A 5 19.492 8.118 12.132 1.00 0.00 H ATOM 63 HA THR A 5 19.302 9.484 9.695 1.00 0.00 H ATOM 64 HB THR A 5 21.775 8.282 10.955 1.00 0.00 H ATOM 65 HG1 THR A 5 21.226 9.743 12.417 1.00 0.00 H ATOM 66 HG21 THR A 5 22.891 10.199 9.716 1.00 0.00 H ATOM 67 HG22 THR A 5 21.395 10.346 8.793 1.00 0.00 H ATOM 68 HG23 THR A 5 22.330 8.852 8.724 1.00 0.00 H ATOM 69 N GLY A 6 20.172 6.318 9.433 1.00 0.00 N ATOM 70 CA GLY A 6 20.344 5.222 8.486 1.00 0.00 C ATOM 71 C GLY A 6 19.354 5.266 7.334 1.00 0.00 C ATOM 72 O GLY A 6 19.688 5.736 6.244 1.00 0.00 O ATOM 73 H GLY A 6 20.201 6.134 10.395 1.00 0.00 H ATOM 74 HA2 GLY A 6 21.345 5.262 8.084 1.00 0.00 H ATOM 75 HA3 GLY A 6 20.220 4.287 9.013 1.00 0.00 H ATOM 76 N LYS A 7 18.133 4.785 7.573 1.00 0.00 N ATOM 77 CA LYS A 7 17.098 4.790 6.541 1.00 0.00 C ATOM 78 C LYS A 7 16.178 6.008 6.701 1.00 0.00 C ATOM 79 O LYS A 7 14.960 5.900 6.546 1.00 0.00 O ATOM 80 CB LYS A 7 16.270 3.497 6.590 1.00 0.00 C ATOM 81 CG LYS A 7 15.371 3.388 7.813 1.00 0.00 C ATOM 82 CD LYS A 7 14.197 2.456 7.559 1.00 0.00 C ATOM 83 CE LYS A 7 13.026 2.774 8.476 1.00 0.00 C ATOM 84 NZ LYS A 7 12.502 4.123 8.247 1.00 0.00 N1+ ATOM 85 H LYS A 7 17.923 4.429 8.463 1.00 0.00 H ATOM 86 HA LYS A 7 17.590 4.854 5.582 1.00 0.00 H ATOM 87 HB2 LYS A 7 15.647 3.448 5.709 1.00 0.00 H ATOM 88 HB3 LYS A 7 16.943 2.652 6.590 1.00 0.00 H ATOM 89 HG2 LYS A 7 15.951 3.004 8.638 1.00 0.00 H ATOM 90 HG3 LYS A 7 14.995 4.368 8.061 1.00 0.00 H ATOM 91 HD2 LYS A 7 13.878 2.563 6.533 1.00 0.00 H ATOM 92 HD3 LYS A 7 14.514 1.438 7.735 1.00 0.00 H ATOM 93 HE2 LYS A 7 12.238 2.057 8.295 1.00 0.00 H ATOM 94 HE3 LYS A 7 13.354 2.694 9.501 1.00 0.00 H ATOM 95 HZ1 LYS A 7 11.848 4.235 7.528 1.00 0.00 H ATOM 96 N ARG A 8 16.763 7.165 7.020 1.00 0.00 N ATOM 97 CA ARG A 8 15.986 8.387 7.212 1.00 0.00 C ATOM 98 C ARG A 8 15.141 8.682 5.978 1.00 0.00 C ATOM 99 O ARG A 8 13.972 9.041 6.082 1.00 0.00 O ATOM 100 CB ARG A 8 16.915 9.570 7.521 1.00 0.00 C ATOM 101 CG ARG A 8 16.302 10.610 8.450 1.00 0.00 C ATOM 102 CD ARG A 8 15.080 11.275 7.835 1.00 0.00 C ATOM 103 NE ARG A 8 14.422 12.199 8.762 1.00 0.00 N ATOM 104 CZ ARG A 8 13.765 11.821 9.864 1.00 0.00 C ATOM 105 NH1 ARG A 8 13.613 10.531 10.159 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 13.238 12.742 10.666 1.00 0.00 N ATOM 107 H ARG A 8 17.734 7.197 7.134 1.00 0.00 H ATOM 108 HA ARG A 8 15.328 8.229 8.052 1.00 0.00 H ATOM 109 HB2 ARG A 8 17.815 9.193 7.981 1.00 0.00 H ATOM 110 HB3 ARG A 8 17.174 10.058 6.593 1.00 0.00 H ATOM 111 HG2 ARG A 8 16.011 10.127 9.370 1.00 0.00 H ATOM 112 HG3 ARG A 8 17.043 11.368 8.661 1.00 0.00 H ATOM 113 HD2 ARG A 8 15.388 11.821 6.956 1.00 0.00 H ATOM 114 HD3 ARG A 8 14.376 10.508 7.551 1.00 0.00 H ATOM 115 HE ARG A 8 14.486 13.156 8.559 1.00 0.00 H ATOM 116 HH11 ARG A 8 13.989 9.829 9.555 1.00 0.00 H ATOM 117 HH12 ARG A 8 13.121 10.262 10.988 1.00 0.00 H ATOM 118 HH21 ARG A 8 13.333 13.713 10.444 1.00 0.00 H ATOM 119 HH22 ARG A 8 12.748 12.465 11.494 1.00 0.00 H ATOM 120 N LYS A 9 15.737 8.511 4.810 1.00 0.00 N ATOM 121 CA LYS A 9 15.032 8.750 3.556 1.00 0.00 C ATOM 122 C LYS A 9 13.705 7.985 3.533 1.00 0.00 C ATOM 123 O LYS A 9 12.649 8.565 3.280 1.00 0.00 O ATOM 124 CB LYS A 9 15.915 8.328 2.372 1.00 0.00 C ATOM 125 CG LYS A 9 15.469 8.869 1.019 1.00 0.00 C ATOM 126 CD LYS A 9 14.114 8.326 0.596 1.00 0.00 C ATOM 127 CE LYS A 9 13.737 8.798 -0.800 1.00 0.00 C ATOM 128 NZ LYS A 9 12.398 8.295 -1.220 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.671 8.211 4.789 1.00 0.00 H ATOM 130 HA LYS A 9 14.827 9.807 3.485 1.00 0.00 H ATOM 131 HB2 LYS A 9 16.921 8.671 2.555 1.00 0.00 H ATOM 132 HB3 LYS A 9 15.921 7.249 2.317 1.00 0.00 H ATOM 133 HG2 LYS A 9 15.406 9.945 1.078 1.00 0.00 H ATOM 134 HG3 LYS A 9 16.204 8.593 0.277 1.00 0.00 H ATOM 135 HD2 LYS A 9 14.148 7.247 0.604 1.00 0.00 H ATOM 136 HD3 LYS A 9 13.365 8.669 1.293 1.00 0.00 H ATOM 137 HE2 LYS A 9 13.723 9.877 -0.810 1.00 0.00 H ATOM 138 HE3 LYS A 9 14.480 8.442 -1.498 1.00 0.00 H ATOM 139 HZ1 LYS A 9 12.159 7.428 -0.698 1.00 0.00 H ATOM 140 HZ2 LYS A 9 12.398 8.084 -2.238 1.00 0.00 H ATOM 141 HZ3 LYS A 9 11.672 9.014 -1.027 1.00 0.00 H ATOM 142 N SER A 10 13.773 6.681 3.795 1.00 0.00 N ATOM 143 CA SER A 10 12.587 5.819 3.796 1.00 0.00 C ATOM 144 C SER A 10 11.634 6.131 4.954 1.00 0.00 C ATOM 145 O SER A 10 10.423 6.243 4.751 1.00 0.00 O ATOM 146 CB SER A 10 13.006 4.349 3.860 1.00 0.00 C ATOM 147 OG SER A 10 13.768 3.983 2.721 1.00 0.00 O ATOM 148 H SER A 10 14.648 6.282 3.986 1.00 0.00 H ATOM 149 HA SER A 10 12.064 5.987 2.870 1.00 0.00 H ATOM 150 HB2 SER A 10 13.607 4.187 4.744 1.00 0.00 H ATOM 151 HB3 SER A 10 12.125 3.725 3.904 1.00 0.00 H ATOM 152 HG SER A 10 13.415 3.175 2.344 1.00 0.00 H ATOM 153 N ASP A 11 12.179 6.254 6.163 1.00 0.00 N ATOM 154 CA ASP A 11 11.366 6.533 7.352 1.00 0.00 C ATOM 155 C ASP A 11 10.642 7.873 7.236 1.00 0.00 C ATOM 156 O ASP A 11 9.441 7.962 7.485 1.00 0.00 O ATOM 157 CB ASP A 11 12.235 6.537 8.620 1.00 0.00 C ATOM 158 CG ASP A 11 12.868 5.188 8.967 1.00 0.00 C ATOM 159 OD1 ASP A 11 13.678 5.111 9.893 1.00 0.00 O ATOM 160 H ASP A 11 13.148 6.145 6.262 1.00 0.00 H ATOM 161 HA ASP A 11 10.629 5.751 7.437 1.00 0.00 H ATOM 162 HB2 ASP A 11 13.034 7.250 8.491 1.00 0.00 H ATOM 163 HB3 ASP A 11 11.624 6.847 9.456 1.00 0.00 H ATOM 164 N ARG A 12 11.391 8.913 6.875 1.00 0.00 N ATOM 165 CA ARG A 12 10.840 10.263 6.743 1.00 0.00 C ATOM 166 C ARG A 12 9.851 10.374 5.582 1.00 0.00 C ATOM 167 O ARG A 12 8.769 10.940 5.740 1.00 0.00 O ATOM 168 CB ARG A 12 11.975 11.277 6.560 1.00 0.00 C ATOM 169 CG ARG A 12 11.519 12.727 6.433 1.00 0.00 C ATOM 170 CD ARG A 12 10.946 13.269 7.739 1.00 0.00 C ATOM 171 NE ARG A 12 9.625 12.719 8.050 1.00 0.00 N ATOM 172 CZ ARG A 12 8.945 12.993 9.166 1.00 0.00 C ATOM 173 NH1 ARG A 12 9.463 13.792 10.097 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 7.744 12.461 9.355 1.00 0.00 N ATOM 175 H ARG A 12 12.346 8.769 6.703 1.00 0.00 H ATOM 176 HA ARG A 12 10.319 10.491 7.658 1.00 0.00 H ATOM 177 HB2 ARG A 12 12.637 11.209 7.410 1.00 0.00 H ATOM 178 HB3 ARG A 12 12.528 11.020 5.668 1.00 0.00 H ATOM 179 HG2 ARG A 12 12.364 13.334 6.149 1.00 0.00 H ATOM 180 HG3 ARG A 12 10.760 12.787 5.667 1.00 0.00 H ATOM 181 HD2 ARG A 12 11.623 13.017 8.542 1.00 0.00 H ATOM 182 HD3 ARG A 12 10.868 14.343 7.661 1.00 0.00 H ATOM 183 HE ARG A 12 9.215 12.124 7.389 1.00 0.00 H ATOM 184 HH11 ARG A 12 10.368 14.195 9.965 1.00 0.00 H ATOM 185 HH12 ARG A 12 8.945 13.991 10.929 1.00 0.00 H ATOM 186 HH21 ARG A 12 7.350 11.859 8.662 1.00 0.00 H ATOM 187 HH22 ARG A 12 7.232 12.665 10.190 1.00 0.00 H ATOM 188 N LYS A 13 10.231 9.849 4.418 1.00 0.00 N ATOM 189 CA LYS A 13 9.377 9.912 3.229 1.00 0.00 C ATOM 190 C LYS A 13 8.015 9.259 3.468 1.00 0.00 C ATOM 191 O LYS A 13 6.978 9.851 3.164 1.00 0.00 O ATOM 192 CB LYS A 13 10.071 9.249 2.033 1.00 0.00 C ATOM 193 CG LYS A 13 9.273 9.321 0.738 1.00 0.00 C ATOM 194 CD LYS A 13 9.030 10.759 0.303 1.00 0.00 C ATOM 195 CE LYS A 13 8.237 10.822 -0.993 1.00 0.00 C ATOM 196 NZ LYS A 13 7.925 12.223 -1.389 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.110 9.423 4.352 1.00 0.00 H ATOM 198 HA LYS A 13 9.218 10.954 3.000 1.00 0.00 H ATOM 199 HB2 LYS A 13 11.021 9.737 1.870 1.00 0.00 H ATOM 200 HB3 LYS A 13 10.246 8.209 2.264 1.00 0.00 H ATOM 201 HG2 LYS A 13 9.820 8.810 -0.040 1.00 0.00 H ATOM 202 HG3 LYS A 13 8.320 8.833 0.886 1.00 0.00 H ATOM 203 HD2 LYS A 13 8.478 11.270 1.078 1.00 0.00 H ATOM 204 HD3 LYS A 13 9.983 11.246 0.155 1.00 0.00 H ATOM 205 HE2 LYS A 13 8.815 10.357 -1.777 1.00 0.00 H ATOM 206 HE3 LYS A 13 7.312 10.279 -0.860 1.00 0.00 H ATOM 207 HZ1 LYS A 13 8.799 12.729 -1.633 1.00 0.00 H ATOM 208 HZ2 LYS A 13 7.457 12.722 -0.606 1.00 0.00 H ATOM 209 HZ3 LYS A 13 7.292 12.228 -2.215 1.00 0.00 H ATOM 210 N LYS A 14 8.021 8.036 4.001 1.00 0.00 N ATOM 211 CA LYS A 14 6.777 7.311 4.260 1.00 0.00 C ATOM 212 C LYS A 14 5.988 7.912 5.424 1.00 0.00 C ATOM 213 O LYS A 14 4.774 8.094 5.324 1.00 0.00 O ATOM 214 CB LYS A 14 7.058 5.831 4.539 1.00 0.00 C ATOM 215 CG LYS A 14 5.802 5.033 4.858 1.00 0.00 C ATOM 216 CD LYS A 14 4.800 5.082 3.712 1.00 0.00 C ATOM 217 CE LYS A 14 3.393 4.751 4.185 1.00 0.00 C ATOM 218 NZ LYS A 14 2.866 5.781 5.085 1.00 0.00 N1+ ATOM 219 H LYS A 14 8.878 7.612 4.215 1.00 0.00 H ATOM 220 HA LYS A 14 6.174 7.381 3.371 1.00 0.00 H ATOM 221 HB2 LYS A 14 7.530 5.394 3.673 1.00 0.00 H ATOM 222 HB3 LYS A 14 7.730 5.756 5.382 1.00 0.00 H ATOM 223 HG2 LYS A 14 6.078 4.004 5.038 1.00 0.00 H ATOM 224 HG3 LYS A 14 5.343 5.444 5.746 1.00 0.00 H ATOM 225 HD2 LYS A 14 4.800 6.074 3.287 1.00 0.00 H ATOM 226 HD3 LYS A 14 5.096 4.366 2.958 1.00 0.00 H ATOM 227 HE2 LYS A 14 2.746 4.671 3.323 1.00 0.00 H ATOM 228 HE3 LYS A 14 3.415 3.806 4.707 1.00 0.00 H ATOM 229 HZ1 LYS A 14 3.400 6.001 5.876 1.00 0.00 H ATOM 230 N LYS A 15 6.676 8.204 6.528 1.00 0.00 N ATOM 231 CA LYS A 15 6.026 8.770 7.711 1.00 0.00 C ATOM 232 C LYS A 15 5.327 10.085 7.377 1.00 0.00 C ATOM 233 O LYS A 15 4.189 10.312 7.786 1.00 0.00 O ATOM 234 CB LYS A 15 7.044 8.991 8.835 1.00 0.00 C ATOM 235 CG LYS A 15 6.423 9.482 10.136 1.00 0.00 C ATOM 236 CD LYS A 15 5.458 8.459 10.720 1.00 0.00 C ATOM 237 CE LYS A 15 4.758 8.987 11.967 1.00 0.00 C ATOM 238 NZ LYS A 15 5.720 9.355 13.046 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.638 8.030 6.549 1.00 0.00 H ATOM 240 HA LYS A 15 5.284 8.062 8.046 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.554 8.060 9.032 1.00 0.00 H ATOM 242 HB3 LYS A 15 7.767 9.724 8.509 1.00 0.00 H ATOM 243 HG2 LYS A 15 7.210 9.667 10.850 1.00 0.00 H ATOM 244 HG3 LYS A 15 5.887 10.399 9.943 1.00 0.00 H ATOM 245 HD2 LYS A 15 4.712 8.217 9.977 1.00 0.00 H ATOM 246 HD3 LYS A 15 6.010 7.566 10.979 1.00 0.00 H ATOM 247 HE2 LYS A 15 4.184 9.861 11.699 1.00 0.00 H ATOM 248 HE3 LYS A 15 4.091 8.222 12.337 1.00 0.00 H ATOM 249 HZ1 LYS A 15 6.414 8.592 13.183 1.00 0.00 H ATOM 250 HZ2 LYS A 15 5.212 9.508 13.941 1.00 0.00 H ATOM 251 HZ3 LYS A 15 6.225 10.228 12.793 1.00 0.00 H ATOM 252 N ASN A 16 6.017 10.940 6.628 1.00 0.00 N ATOM 253 CA ASN A 16 5.465 12.232 6.231 1.00 0.00 C ATOM 254 C ASN A 16 4.328 12.049 5.224 1.00 0.00 C ATOM 255 O ASN A 16 3.296 12.717 5.313 1.00 0.00 O ATOM 256 CB ASN A 16 6.564 13.120 5.638 1.00 0.00 C ATOM 257 CG ASN A 16 6.075 14.520 5.312 1.00 0.00 C ATOM 258 OD1 ASN A 16 5.193 14.703 4.470 1.00 0.00 O ATOM 259 ND2 ASN A 16 6.642 15.518 5.981 1.00 0.00 N ATOM 260 H ASN A 16 6.920 10.695 6.333 1.00 0.00 H ATOM 261 HA ASN A 16 5.071 12.708 7.116 1.00 0.00 H ATOM 262 HB2 ASN A 16 7.375 13.199 6.347 1.00 0.00 H ATOM 263 HB3 ASN A 16 6.933 12.666 4.729 1.00 0.00 H ATOM 264 HD21 ASN A 16 7.336 15.301 6.638 1.00 0.00 H ATOM 265 HD22 ASN A 16 6.343 16.432 5.791 1.00 0.00 H ATOM 266 N GLN A 17 4.530 11.141 4.267 1.00 0.00 N ATOM 267 CA GLN A 17 3.534 10.861 3.233 1.00 0.00 C ATOM 268 C GLN A 17 2.208 10.399 3.839 1.00 0.00 C ATOM 269 O GLN A 17 1.153 10.955 3.532 1.00 0.00 O ATOM 270 CB GLN A 17 4.067 9.799 2.265 1.00 0.00 C ATOM 271 CG GLN A 17 3.116 9.462 1.125 1.00 0.00 C ATOM 272 CD GLN A 17 3.633 8.368 0.195 1.00 0.00 C ATOM 273 OE1 GLN A 17 2.940 7.970 -0.742 1.00 0.00 O ATOM 274 NE2 GLN A 17 4.850 7.871 0.435 1.00 0.00 N ATOM 275 H GLN A 17 5.377 10.647 4.254 1.00 0.00 H ATOM 276 HA GLN A 17 3.362 11.775 2.686 1.00 0.00 H ATOM 277 HB2 GLN A 17 4.993 10.153 1.837 1.00 0.00 H ATOM 278 HB3 GLN A 17 4.262 8.893 2.821 1.00 0.00 H ATOM 279 HG2 GLN A 17 2.177 9.135 1.545 1.00 0.00 H ATOM 280 HG3 GLN A 17 2.951 10.357 0.541 1.00 0.00 H ATOM 281 HE21 GLN A 17 5.361 8.226 1.190 1.00 0.00 H ATOM 282 HE22 GLN A 17 5.183 7.165 -0.158 1.00 0.00 H ATOM 283 N ASP A 18 2.269 9.380 4.697 1.00 0.00 N ATOM 284 CA ASP A 18 1.068 8.846 5.342 1.00 0.00 C ATOM 285 C ASP A 18 0.550 9.794 6.423 1.00 0.00 C ATOM 286 O ASP A 18 -0.601 10.227 6.381 1.00 0.00 O ATOM 287 CB ASP A 18 1.340 7.459 5.942 1.00 0.00 C ATOM 288 CG ASP A 18 1.715 6.426 4.891 1.00 0.00 C ATOM 289 OD1 ASP A 18 0.977 6.209 3.928 1.00 0.00 O ATOM 290 H ASP A 18 3.140 8.979 4.900 1.00 0.00 H ATOM 291 HA ASP A 18 0.308 8.748 4.580 1.00 0.00 H ATOM 292 HB2 ASP A 18 2.152 7.536 6.650 1.00 0.00 H ATOM 293 HB3 ASP A 18 0.453 7.118 6.455 1.00 0.00 H HETATM 294 N NH2 A 19 1.399 10.124 7.394 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.304 9.745 7.371 1.00 0.00 H HETATM 296 HN2 NH2 A 19 1.087 10.735 8.094 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 4 ATOM 1 N PHE A 1 19.874 5.896 21.808 1.00 0.00 N ATOM 2 CA PHE A 1 20.693 5.439 20.692 1.00 0.00 C ATOM 3 C PHE A 1 20.733 6.485 19.578 1.00 0.00 C ATOM 4 O PHE A 1 19.741 7.172 19.322 1.00 0.00 O ATOM 5 CB PHE A 1 20.171 4.095 20.155 1.00 0.00 C ATOM 6 CG PHE A 1 18.724 4.113 19.728 1.00 0.00 C ATOM 7 CD1 PHE A 1 18.319 4.831 18.612 1.00 0.00 C ATOM 8 CD2 PHE A 1 17.769 3.404 20.443 1.00 0.00 C ATOM 9 CE1 PHE A 1 16.996 4.845 18.220 1.00 0.00 C ATOM 10 CE2 PHE A 1 16.442 3.415 20.053 1.00 0.00 C ATOM 11 CZ PHE A 1 16.055 4.136 18.942 1.00 0.00 C ATOM 12 H1 PHE A 1 20.183 5.740 22.723 1.00 0.00 H ATOM 13 HA PHE A 1 21.699 5.297 21.062 1.00 0.00 H ATOM 14 HB2 PHE A 1 20.762 3.807 19.298 1.00 0.00 H ATOM 15 HB3 PHE A 1 20.282 3.345 20.925 1.00 0.00 H ATOM 16 HD1 PHE A 1 19.052 5.385 18.043 1.00 0.00 H ATOM 17 HD2 PHE A 1 18.069 2.840 21.314 1.00 0.00 H ATOM 18 HE1 PHE A 1 16.694 5.410 17.350 1.00 0.00 H ATOM 19 HE2 PHE A 1 15.708 2.859 20.617 1.00 0.00 H ATOM 20 HZ PHE A 1 15.019 4.147 18.636 1.00 0.00 H ATOM 21 N GLY A 2 21.889 6.606 18.924 1.00 0.00 N ATOM 22 CA GLY A 2 22.042 7.570 17.848 1.00 0.00 C ATOM 23 C GLY A 2 21.197 7.225 16.633 1.00 0.00 C ATOM 24 O GLY A 2 21.238 6.092 16.147 1.00 0.00 O ATOM 25 H GLY A 2 22.645 6.036 19.177 1.00 0.00 H ATOM 26 HA2 GLY A 2 21.755 8.546 18.209 1.00 0.00 H ATOM 27 HA3 GLY A 2 23.080 7.598 17.553 1.00 0.00 H ATOM 28 N GLY A 3 20.432 8.203 16.142 1.00 0.00 N ATOM 29 CA GLY A 3 19.587 7.978 14.980 1.00 0.00 C ATOM 30 C GLY A 3 20.385 7.594 13.747 1.00 0.00 C ATOM 31 O GLY A 3 21.261 8.344 13.309 1.00 0.00 O ATOM 32 H GLY A 3 20.442 9.085 16.573 1.00 0.00 H ATOM 33 HA2 GLY A 3 18.888 7.186 15.203 1.00 0.00 H ATOM 34 HA3 GLY A 3 19.034 8.882 14.771 1.00 0.00 H ATOM 35 N PHE A 4 20.083 6.421 13.189 1.00 0.00 N ATOM 36 CA PHE A 4 20.778 5.931 12.001 1.00 0.00 C ATOM 37 C PHE A 4 20.373 6.740 10.769 1.00 0.00 C ATOM 38 O PHE A 4 19.215 7.137 10.632 1.00 0.00 O ATOM 39 CB PHE A 4 20.476 4.444 11.775 1.00 0.00 C ATOM 40 CG PHE A 4 21.635 3.668 11.208 1.00 0.00 C ATOM 41 CD1 PHE A 4 22.843 3.612 11.886 1.00 0.00 C ATOM 42 CD2 PHE A 4 21.515 2.992 10.003 1.00 0.00 C ATOM 43 CE1 PHE A 4 23.908 2.896 11.377 1.00 0.00 C ATOM 44 CE2 PHE A 4 22.580 2.276 9.488 1.00 0.00 C ATOM 45 CZ PHE A 4 23.777 2.228 10.176 1.00 0.00 C ATOM 46 H PHE A 4 19.377 5.872 13.588 1.00 0.00 H ATOM 47 HA PHE A 4 21.838 6.054 12.165 1.00 0.00 H ATOM 48 HB2 PHE A 4 20.206 3.991 12.717 1.00 0.00 H ATOM 49 HB3 PHE A 4 19.646 4.352 11.088 1.00 0.00 H ATOM 50 HD1 PHE A 4 22.947 4.133 12.827 1.00 0.00 H ATOM 51 HD2 PHE A 4 20.581 3.029 9.465 1.00 0.00 H ATOM 52 HE1 PHE A 4 24.844 2.860 11.915 1.00 0.00 H ATOM 53 HE2 PHE A 4 22.475 1.754 8.549 1.00 0.00 H ATOM 54 HZ PHE A 4 24.608 1.668 9.775 1.00 0.00 H ATOM 55 N THR A 5 21.337 6.982 9.880 1.00 0.00 N ATOM 56 CA THR A 5 21.089 7.747 8.656 1.00 0.00 C ATOM 57 C THR A 5 19.894 7.191 7.877 1.00 0.00 C ATOM 58 O THR A 5 19.033 7.950 7.423 1.00 0.00 O ATOM 59 CB THR A 5 22.336 7.753 7.740 1.00 0.00 C ATOM 60 OG1 THR A 5 23.428 8.398 8.405 1.00 0.00 O ATOM 61 CG2 THR A 5 22.052 8.465 6.422 1.00 0.00 C ATOM 62 H THR A 5 22.239 6.639 10.051 1.00 0.00 H ATOM 63 HA THR A 5 20.877 8.765 8.940 1.00 0.00 H ATOM 64 HB THR A 5 22.609 6.730 7.527 1.00 0.00 H ATOM 65 HG1 THR A 5 23.854 7.777 9.001 1.00 0.00 H ATOM 66 HG21 THR A 5 22.984 8.654 5.909 1.00 0.00 H ATOM 67 HG22 THR A 5 21.552 9.401 6.616 1.00 0.00 H ATOM 68 HG23 THR A 5 21.423 7.840 5.805 1.00 0.00 H ATOM 69 N GLY A 6 19.850 5.865 7.735 1.00 0.00 N ATOM 70 CA GLY A 6 18.762 5.217 7.017 1.00 0.00 C ATOM 71 C GLY A 6 17.396 5.562 7.581 1.00 0.00 C ATOM 72 O GLY A 6 16.456 5.822 6.825 1.00 0.00 O ATOM 73 H GLY A 6 20.564 5.319 8.125 1.00 0.00 H ATOM 74 HA2 GLY A 6 18.797 5.523 5.981 1.00 0.00 H ATOM 75 HA3 GLY A 6 18.899 4.147 7.068 1.00 0.00 H ATOM 76 N LYS A 7 17.286 5.569 8.911 1.00 0.00 N ATOM 77 CA LYS A 7 16.024 5.891 9.579 1.00 0.00 C ATOM 78 C LYS A 7 15.521 7.283 9.203 1.00 0.00 C ATOM 79 O LYS A 7 14.330 7.470 8.973 1.00 0.00 O ATOM 80 CB LYS A 7 16.176 5.792 11.097 1.00 0.00 C ATOM 81 CG LYS A 7 15.515 4.560 11.690 1.00 0.00 C ATOM 82 CD LYS A 7 14.003 4.566 11.481 1.00 0.00 C ATOM 83 CE LYS A 7 13.329 5.731 12.199 1.00 0.00 C ATOM 84 NZ LYS A 7 13.024 6.851 11.303 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.072 5.356 9.457 1.00 0.00 H ATOM 86 HA LYS A 7 15.294 5.166 9.256 1.00 0.00 H ATOM 87 HB2 LYS A 7 17.227 5.762 11.340 1.00 0.00 H ATOM 88 HB3 LYS A 7 15.734 6.666 11.551 1.00 0.00 H ATOM 89 HG2 LYS A 7 15.928 3.681 11.215 1.00 0.00 H ATOM 90 HG3 LYS A 7 15.722 4.529 12.748 1.00 0.00 H ATOM 91 HD2 LYS A 7 13.797 4.644 10.423 1.00 0.00 H ATOM 92 HD3 LYS A 7 13.596 3.640 11.858 1.00 0.00 H ATOM 93 HE2 LYS A 7 12.410 5.379 12.642 1.00 0.00 H ATOM 94 HE3 LYS A 7 13.989 6.079 12.981 1.00 0.00 H ATOM 95 HZ1 LYS A 7 13.770 7.414 11.011 1.00 0.00 H ATOM 96 N ARG A 8 16.427 8.254 9.147 1.00 0.00 N ATOM 97 CA ARG A 8 16.060 9.626 8.806 1.00 0.00 C ATOM 98 C ARG A 8 15.363 9.691 7.457 1.00 0.00 C ATOM 99 O ARG A 8 14.388 10.418 7.287 1.00 0.00 O ATOM 100 CB ARG A 8 17.296 10.526 8.805 1.00 0.00 C ATOM 101 CG ARG A 8 17.934 10.696 10.177 1.00 0.00 C ATOM 102 CD ARG A 8 17.130 11.637 11.067 1.00 0.00 C ATOM 103 NE ARG A 8 15.761 11.168 11.299 1.00 0.00 N ATOM 104 CZ ARG A 8 15.442 10.095 12.029 1.00 0.00 C ATOM 105 NH1 ARG A 8 16.384 9.388 12.646 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 14.169 9.730 12.147 1.00 0.00 N ATOM 107 H ARG A 8 17.365 8.047 9.340 1.00 0.00 H ATOM 108 HA ARG A 8 15.373 9.976 9.558 1.00 0.00 H ATOM 109 HB2 ARG A 8 18.033 10.102 8.138 1.00 0.00 H ATOM 110 HB3 ARG A 8 17.014 11.503 8.438 1.00 0.00 H ATOM 111 HG2 ARG A 8 17.995 9.729 10.656 1.00 0.00 H ATOM 112 HG3 ARG A 8 18.929 11.098 10.052 1.00 0.00 H ATOM 113 HD2 ARG A 8 17.632 11.724 12.019 1.00 0.00 H ATOM 114 HD3 ARG A 8 17.093 12.608 10.596 1.00 0.00 H ATOM 115 HE ARG A 8 15.036 11.675 10.875 1.00 0.00 H ATOM 116 HH11 ARG A 8 17.344 9.654 12.570 1.00 0.00 H ATOM 117 HH12 ARG A 8 16.131 8.587 13.189 1.00 0.00 H ATOM 118 HH21 ARG A 8 13.452 10.257 11.691 1.00 0.00 H ATOM 119 HH22 ARG A 8 13.927 8.932 12.698 1.00 0.00 H ATOM 120 N LYS A 9 15.861 8.927 6.500 1.00 0.00 N ATOM 121 CA LYS A 9 15.268 8.911 5.169 1.00 0.00 C ATOM 122 C LYS A 9 13.945 8.146 5.156 1.00 0.00 C ATOM 123 O LYS A 9 12.946 8.632 4.625 1.00 0.00 O ATOM 124 CB LYS A 9 16.230 8.303 4.150 1.00 0.00 C ATOM 125 CG LYS A 9 15.649 8.239 2.745 1.00 0.00 C ATOM 126 CD LYS A 9 16.669 7.748 1.730 1.00 0.00 C ATOM 127 CE LYS A 9 17.870 8.679 1.645 1.00 0.00 C ATOM 128 NZ LYS A 9 17.474 10.075 1.302 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.639 8.362 6.693 1.00 0.00 H ATOM 130 HA LYS A 9 15.071 9.934 4.891 1.00 0.00 H ATOM 131 HB2 LYS A 9 17.132 8.897 4.123 1.00 0.00 H ATOM 132 HB3 LYS A 9 16.478 7.298 4.462 1.00 0.00 H ATOM 133 HG2 LYS A 9 14.808 7.564 2.746 1.00 0.00 H ATOM 134 HG3 LYS A 9 15.318 9.227 2.461 1.00 0.00 H ATOM 135 HD2 LYS A 9 17.007 6.765 2.021 1.00 0.00 H ATOM 136 HD3 LYS A 9 16.196 7.695 0.760 1.00 0.00 H ATOM 137 HE2 LYS A 9 18.375 8.683 2.599 1.00 0.00 H ATOM 138 HE3 LYS A 9 18.542 8.308 0.885 1.00 0.00 H ATOM 139 HZ1 LYS A 9 17.001 10.523 2.113 1.00 0.00 H ATOM 140 HZ2 LYS A 9 16.822 10.074 0.492 1.00 0.00 H ATOM 141 HZ3 LYS A 9 18.316 10.634 1.054 1.00 0.00 H ATOM 142 N SER A 10 13.950 6.943 5.734 1.00 0.00 N ATOM 143 CA SER A 10 12.751 6.104 5.780 1.00 0.00 C ATOM 144 C SER A 10 11.634 6.765 6.586 1.00 0.00 C ATOM 145 O SER A 10 10.477 6.769 6.165 1.00 0.00 O ATOM 146 CB SER A 10 13.082 4.725 6.365 1.00 0.00 C ATOM 147 OG SER A 10 13.658 4.835 7.654 1.00 0.00 O ATOM 148 H SER A 10 14.781 6.611 6.132 1.00 0.00 H ATOM 149 HA SER A 10 12.408 5.975 4.767 1.00 0.00 H ATOM 150 HB2 SER A 10 12.178 4.142 6.440 1.00 0.00 H ATOM 151 HB3 SER A 10 13.781 4.222 5.712 1.00 0.00 H ATOM 152 HG SER A 10 14.456 4.301 7.694 1.00 0.00 H ATOM 153 N ASP A 11 11.987 7.323 7.744 1.00 0.00 N ATOM 154 CA ASP A 11 11.015 7.990 8.609 1.00 0.00 C ATOM 155 C ASP A 11 10.434 9.236 7.940 1.00 0.00 C ATOM 156 O ASP A 11 9.224 9.446 7.965 1.00 0.00 O ATOM 157 CB ASP A 11 11.651 8.352 9.958 1.00 0.00 C ATOM 158 CG ASP A 11 11.791 7.146 10.878 1.00 0.00 C ATOM 159 OD1 ASP A 11 10.798 6.495 11.210 1.00 0.00 O ATOM 160 H ASP A 11 12.926 7.286 8.023 1.00 0.00 H ATOM 161 HA ASP A 11 10.209 7.294 8.785 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.634 8.767 9.787 1.00 0.00 H ATOM 163 HB3 ASP A 11 11.037 9.092 10.453 1.00 0.00 H ATOM 164 N ARG A 12 11.299 10.053 7.337 1.00 0.00 N ATOM 165 CA ARG A 12 10.858 11.275 6.656 1.00 0.00 C ATOM 166 C ARG A 12 9.951 10.953 5.469 1.00 0.00 C ATOM 167 O ARG A 12 8.898 11.565 5.292 1.00 0.00 O ATOM 168 CB ARG A 12 12.061 12.082 6.160 1.00 0.00 C ATOM 169 CG ARG A 12 12.801 12.844 7.250 1.00 0.00 C ATOM 170 CD ARG A 12 14.062 13.501 6.702 1.00 0.00 C ATOM 171 NE ARG A 12 14.738 14.332 7.697 1.00 0.00 N ATOM 172 CZ ARG A 12 14.271 15.501 8.143 1.00 0.00 C ATOM 173 NH1 ARG A 12 13.134 16.001 7.669 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 14.951 16.179 9.058 1.00 0.00 N ATOM 175 H ARG A 12 12.254 9.828 7.345 1.00 0.00 H ATOM 176 HA ARG A 12 10.304 11.870 7.365 1.00 0.00 H ATOM 177 HB2 ARG A 12 12.761 11.408 5.689 1.00 0.00 H ATOM 178 HB3 ARG A 12 11.718 12.797 5.425 1.00 0.00 H ATOM 179 HG2 ARG A 12 12.149 13.608 7.648 1.00 0.00 H ATOM 180 HG3 ARG A 12 13.075 12.156 8.037 1.00 0.00 H ATOM 181 HD2 ARG A 12 14.741 12.727 6.377 1.00 0.00 H ATOM 182 HD3 ARG A 12 13.791 14.117 5.857 1.00 0.00 H ATOM 183 HE ARG A 12 15.588 13.999 8.058 1.00 0.00 H ATOM 184 HH11 ARG A 12 12.617 15.503 6.973 1.00 0.00 H ATOM 185 HH12 ARG A 12 12.795 16.877 8.010 1.00 0.00 H ATOM 186 HH21 ARG A 12 15.811 15.815 9.416 1.00 0.00 H ATOM 187 HH22 ARG A 12 14.604 17.056 9.390 1.00 0.00 H ATOM 188 N LYS A 13 10.387 10.007 4.647 1.00 0.00 N ATOM 189 CA LYS A 13 9.642 9.614 3.454 1.00 0.00 C ATOM 190 C LYS A 13 8.295 8.967 3.786 1.00 0.00 C ATOM 191 O LYS A 13 7.277 9.313 3.185 1.00 0.00 O ATOM 192 CB LYS A 13 10.479 8.652 2.604 1.00 0.00 C ATOM 193 CG LYS A 13 9.803 8.231 1.307 1.00 0.00 C ATOM 194 CD LYS A 13 10.628 7.197 0.552 1.00 0.00 C ATOM 195 CE LYS A 13 10.818 5.922 1.365 1.00 0.00 C ATOM 196 NZ LYS A 13 9.519 5.284 1.720 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.246 9.574 4.838 1.00 0.00 H ATOM 198 HA LYS A 13 9.458 10.506 2.879 1.00 0.00 H ATOM 199 HB2 LYS A 13 11.414 9.131 2.356 1.00 0.00 H ATOM 200 HB3 LYS A 13 10.683 7.765 3.183 1.00 0.00 H ATOM 201 HG2 LYS A 13 8.837 7.808 1.536 1.00 0.00 H ATOM 202 HG3 LYS A 13 9.677 9.103 0.681 1.00 0.00 H ATOM 203 HD2 LYS A 13 10.123 6.952 -0.370 1.00 0.00 H ATOM 204 HD3 LYS A 13 11.599 7.619 0.331 1.00 0.00 H ATOM 205 HE2 LYS A 13 11.401 5.225 0.784 1.00 0.00 H ATOM 206 HE3 LYS A 13 11.349 6.167 2.272 1.00 0.00 H ATOM 207 HZ1 LYS A 13 9.066 5.804 2.500 1.00 0.00 H ATOM 208 HZ2 LYS A 13 9.674 4.302 2.021 1.00 0.00 H ATOM 209 HZ3 LYS A 13 8.881 5.287 0.899 1.00 0.00 H ATOM 210 N LYS A 14 8.296 8.011 4.715 1.00 0.00 N ATOM 211 CA LYS A 14 7.069 7.301 5.086 1.00 0.00 C ATOM 212 C LYS A 14 6.064 8.203 5.800 1.00 0.00 C ATOM 213 O LYS A 14 4.901 8.270 5.400 1.00 0.00 O ATOM 214 CB LYS A 14 7.393 6.078 5.954 1.00 0.00 C ATOM 215 CG LYS A 14 6.174 5.231 6.302 1.00 0.00 C ATOM 216 CD LYS A 14 5.336 5.862 7.406 1.00 0.00 C ATOM 217 CE LYS A 14 4.011 5.141 7.587 1.00 0.00 C ATOM 218 NZ LYS A 14 3.118 5.321 6.438 1.00 0.00 N1+ ATOM 219 H LYS A 14 9.141 7.763 5.143 1.00 0.00 H ATOM 220 HA LYS A 14 6.614 6.956 4.171 1.00 0.00 H ATOM 221 HB2 LYS A 14 8.098 5.453 5.425 1.00 0.00 H ATOM 222 HB3 LYS A 14 7.846 6.415 6.875 1.00 0.00 H ATOM 223 HG2 LYS A 14 5.562 5.122 5.420 1.00 0.00 H ATOM 224 HG3 LYS A 14 6.509 4.257 6.630 1.00 0.00 H ATOM 225 HD2 LYS A 14 5.886 5.817 8.332 1.00 0.00 H ATOM 226 HD3 LYS A 14 5.139 6.890 7.157 1.00 0.00 H ATOM 227 HE2 LYS A 14 4.205 4.087 7.717 1.00 0.00 H ATOM 228 HE3 LYS A 14 3.526 5.528 8.471 1.00 0.00 H ATOM 229 HZ1 LYS A 14 3.183 4.667 5.709 1.00 0.00 H ATOM 230 N LYS A 15 6.503 8.882 6.863 1.00 0.00 N ATOM 231 CA LYS A 15 5.614 9.762 7.624 1.00 0.00 C ATOM 232 C LYS A 15 4.907 10.741 6.695 1.00 0.00 C ATOM 233 O LYS A 15 3.716 11.012 6.853 1.00 0.00 O ATOM 234 CB LYS A 15 6.386 10.527 8.704 1.00 0.00 C ATOM 235 CG LYS A 15 5.835 10.305 10.104 1.00 0.00 C ATOM 236 CD LYS A 15 6.580 11.130 11.139 1.00 0.00 C ATOM 237 CE LYS A 15 5.934 11.012 12.511 1.00 0.00 C ATOM 238 NZ LYS A 15 6.018 9.628 13.053 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.437 8.782 7.140 1.00 0.00 H ATOM 240 HA LYS A 15 4.871 9.141 8.100 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.417 10.212 8.691 1.00 0.00 H ATOM 242 HB3 LYS A 15 6.337 11.584 8.487 1.00 0.00 H ATOM 243 HG2 LYS A 15 4.794 10.585 10.118 1.00 0.00 H ATOM 244 HG3 LYS A 15 5.931 9.256 10.355 1.00 0.00 H ATOM 245 HD2 LYS A 15 7.600 10.780 11.201 1.00 0.00 H ATOM 246 HD3 LYS A 15 6.571 12.167 10.833 1.00 0.00 H ATOM 247 HE2 LYS A 15 6.433 11.686 13.190 1.00 0.00 H ATOM 248 HE3 LYS A 15 4.893 11.293 12.427 1.00 0.00 H ATOM 249 HZ1 LYS A 15 6.968 9.237 12.891 1.00 0.00 H ATOM 250 HZ2 LYS A 15 5.319 9.017 12.585 1.00 0.00 H ATOM 251 HZ3 LYS A 15 5.826 9.631 14.074 1.00 0.00 H ATOM 252 N ASN A 16 5.649 11.249 5.716 1.00 0.00 N ATOM 253 CA ASN A 16 5.102 12.180 4.737 1.00 0.00 C ATOM 254 C ASN A 16 4.195 11.449 3.744 1.00 0.00 C ATOM 255 O ASN A 16 3.129 11.951 3.378 1.00 0.00 O ATOM 256 CB ASN A 16 6.241 12.888 3.991 1.00 0.00 C ATOM 257 CG ASN A 16 5.741 13.908 2.986 1.00 0.00 C ATOM 258 OD1 ASN A 16 5.055 13.566 2.021 1.00 0.00 O ATOM 259 ND2 ASN A 16 6.085 15.172 3.203 1.00 0.00 N ATOM 260 H ASN A 16 6.589 10.977 5.642 1.00 0.00 H ATOM 261 HA ASN A 16 4.518 12.916 5.268 1.00 0.00 H ATOM 262 HB2 ASN A 16 6.868 13.397 4.708 1.00 0.00 H ATOM 263 HB3 ASN A 16 6.831 12.151 3.466 1.00 0.00 H ATOM 264 HD21 ASN A 16 6.636 15.374 3.988 1.00 0.00 H ATOM 265 HD22 ASN A 16 5.770 15.851 2.572 1.00 0.00 H ATOM 266 N GLN A 17 4.636 10.269 3.305 1.00 0.00 N ATOM 267 CA GLN A 17 3.887 9.464 2.341 1.00 0.00 C ATOM 268 C GLN A 17 2.508 9.054 2.870 1.00 0.00 C ATOM 269 O GLN A 17 1.488 9.556 2.393 1.00 0.00 O ATOM 270 CB GLN A 17 4.697 8.224 1.952 1.00 0.00 C ATOM 271 CG GLN A 17 3.950 7.265 1.038 1.00 0.00 C ATOM 272 CD GLN A 17 4.758 6.033 0.644 1.00 0.00 C ATOM 273 OE1 GLN A 17 4.256 5.164 -0.066 1.00 0.00 O ATOM 274 NE2 GLN A 17 6.010 5.942 1.088 1.00 0.00 N ATOM 275 H GLN A 17 5.498 9.935 3.631 1.00 0.00 H ATOM 276 HA GLN A 17 3.744 10.069 1.461 1.00 0.00 H ATOM 277 HB2 GLN A 17 5.596 8.543 1.444 1.00 0.00 H ATOM 278 HB3 GLN A 17 4.973 7.692 2.851 1.00 0.00 H ATOM 279 HG2 GLN A 17 3.057 6.935 1.546 1.00 0.00 H ATOM 280 HG3 GLN A 17 3.670 7.795 0.139 1.00 0.00 H ATOM 281 HE21 GLN A 17 6.362 6.662 1.647 1.00 0.00 H ATOM 282 HE22 GLN A 17 6.529 5.149 0.838 1.00 0.00 H ATOM 283 N ASP A 18 2.477 8.138 3.842 1.00 0.00 N ATOM 284 CA ASP A 18 1.206 7.673 4.404 1.00 0.00 C ATOM 285 C ASP A 18 0.608 8.696 5.375 1.00 0.00 C ATOM 286 O ASP A 18 -0.606 8.743 5.566 1.00 0.00 O ATOM 287 CB ASP A 18 1.351 6.297 5.085 1.00 0.00 C ATOM 288 CG ASP A 18 2.211 6.298 6.345 1.00 0.00 C ATOM 289 OD1 ASP A 18 2.039 7.135 7.232 1.00 0.00 O ATOM 290 H ASP A 18 3.317 7.765 4.178 1.00 0.00 H ATOM 291 HA ASP A 18 0.520 7.567 3.576 1.00 0.00 H ATOM 292 HB2 ASP A 18 0.369 5.941 5.355 1.00 0.00 H ATOM 293 HB3 ASP A 18 1.788 5.607 4.378 1.00 0.00 H HETATM 294 N NH2 A 19 1.454 9.526 5.983 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.412 9.441 5.792 1.00 0.00 H HETATM 296 HN2 NH2 A 19 1.083 10.191 6.598 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 5 ATOM 1 N PHE A 1 27.713 12.699 17.889 1.00 0.00 N ATOM 2 CA PHE A 1 27.081 11.484 17.385 1.00 0.00 C ATOM 3 C PHE A 1 25.909 11.820 16.458 1.00 0.00 C ATOM 4 O PHE A 1 24.812 11.277 16.604 1.00 0.00 O ATOM 5 CB PHE A 1 26.606 10.604 18.549 1.00 0.00 C ATOM 6 CG PHE A 1 27.723 10.085 19.416 1.00 0.00 C ATOM 7 CD1 PHE A 1 28.479 10.948 20.194 1.00 0.00 C ATOM 8 CD2 PHE A 1 28.011 8.730 19.456 1.00 0.00 C ATOM 9 CE1 PHE A 1 29.502 10.471 20.991 1.00 0.00 C ATOM 10 CE2 PHE A 1 29.032 8.247 20.251 1.00 0.00 C ATOM 11 CZ PHE A 1 29.778 9.118 21.020 1.00 0.00 C ATOM 12 H1 PHE A 1 28.687 12.783 17.840 1.00 0.00 H ATOM 13 HA PHE A 1 27.822 10.941 16.818 1.00 0.00 H ATOM 14 HB2 PHE A 1 25.943 11.180 19.178 1.00 0.00 H ATOM 15 HB3 PHE A 1 26.070 9.754 18.152 1.00 0.00 H ATOM 16 HD1 PHE A 1 28.264 12.006 20.174 1.00 0.00 H ATOM 17 HD2 PHE A 1 27.429 8.047 18.854 1.00 0.00 H ATOM 18 HE1 PHE A 1 30.083 11.154 21.591 1.00 0.00 H ATOM 19 HE2 PHE A 1 29.245 7.190 20.273 1.00 0.00 H ATOM 20 HZ PHE A 1 30.576 8.743 21.642 1.00 0.00 H ATOM 21 N GLY A 2 26.156 12.720 15.502 1.00 0.00 N ATOM 22 CA GLY A 2 25.123 13.119 14.558 1.00 0.00 C ATOM 23 C GLY A 2 25.053 12.211 13.340 1.00 0.00 C ATOM 24 O GLY A 2 25.077 12.691 12.206 1.00 0.00 O ATOM 25 H GLY A 2 27.050 13.116 15.435 1.00 0.00 H ATOM 26 HA2 GLY A 2 24.166 13.103 15.060 1.00 0.00 H ATOM 27 HA3 GLY A 2 25.324 14.127 14.229 1.00 0.00 H ATOM 28 N GLY A 3 24.973 10.897 13.577 1.00 0.00 N ATOM 29 CA GLY A 3 24.905 9.933 12.489 1.00 0.00 C ATOM 30 C GLY A 3 23.593 9.998 11.724 1.00 0.00 C ATOM 31 O GLY A 3 23.306 10.997 11.064 1.00 0.00 O ATOM 32 H GLY A 3 24.961 10.579 14.504 1.00 0.00 H ATOM 33 HA2 GLY A 3 25.717 10.124 11.804 1.00 0.00 H ATOM 34 HA3 GLY A 3 25.022 8.940 12.898 1.00 0.00 H ATOM 35 N PHE A 4 22.805 8.921 11.815 1.00 0.00 N ATOM 36 CA PHE A 4 21.510 8.826 11.134 1.00 0.00 C ATOM 37 C PHE A 4 21.681 8.682 9.624 1.00 0.00 C ATOM 38 O PHE A 4 22.298 9.527 8.974 1.00 0.00 O ATOM 39 CB PHE A 4 20.628 10.045 11.445 1.00 0.00 C ATOM 40 CG PHE A 4 20.130 10.105 12.865 1.00 0.00 C ATOM 41 CD1 PHE A 4 20.988 9.904 13.936 1.00 0.00 C ATOM 42 CD2 PHE A 4 18.794 10.368 13.126 1.00 0.00 C ATOM 43 CE1 PHE A 4 20.523 9.963 15.236 1.00 0.00 C ATOM 44 CE2 PHE A 4 18.325 10.429 14.424 1.00 0.00 C ATOM 45 CZ PHE A 4 19.191 10.226 15.479 1.00 0.00 C ATOM 46 H PHE A 4 23.106 8.161 12.356 1.00 0.00 H ATOM 47 HA PHE A 4 21.016 7.942 11.505 1.00 0.00 H ATOM 48 HB2 PHE A 4 21.191 10.948 11.258 1.00 0.00 H ATOM 49 HB3 PHE A 4 19.766 10.028 10.794 1.00 0.00 H ATOM 50 HD1 PHE A 4 22.031 9.699 13.750 1.00 0.00 H ATOM 51 HD2 PHE A 4 18.115 10.528 12.302 1.00 0.00 H ATOM 52 HE1 PHE A 4 21.201 9.804 16.060 1.00 0.00 H ATOM 53 HE2 PHE A 4 17.282 10.636 14.613 1.00 0.00 H ATOM 54 HZ PHE A 4 18.825 10.272 16.493 1.00 0.00 H ATOM 55 N THR A 5 21.116 7.603 9.077 1.00 0.00 N ATOM 56 CA THR A 5 21.184 7.323 7.642 1.00 0.00 C ATOM 57 C THR A 5 20.066 6.370 7.216 1.00 0.00 C ATOM 58 O THR A 5 19.305 6.664 6.293 1.00 0.00 O ATOM 59 CB THR A 5 22.541 6.698 7.235 1.00 0.00 C ATOM 60 OG1 THR A 5 22.811 5.537 8.032 1.00 0.00 O ATOM 61 CG2 THR A 5 23.682 7.694 7.381 1.00 0.00 C ATOM 62 H THR A 5 20.633 6.979 9.659 1.00 0.00 H ATOM 63 HA THR A 5 21.066 8.257 7.113 1.00 0.00 H ATOM 64 HB THR A 5 22.479 6.399 6.198 1.00 0.00 H ATOM 65 HG1 THR A 5 22.716 4.749 7.494 1.00 0.00 H ATOM 66 HG21 THR A 5 23.423 8.613 6.880 1.00 0.00 H ATOM 67 HG22 THR A 5 24.577 7.281 6.938 1.00 0.00 H ATOM 68 HG23 THR A 5 23.858 7.891 8.429 1.00 0.00 H ATOM 69 N GLY A 6 19.976 5.227 7.903 1.00 0.00 N ATOM 70 CA GLY A 6 18.958 4.235 7.596 1.00 0.00 C ATOM 71 C GLY A 6 17.548 4.740 7.844 1.00 0.00 C ATOM 72 O GLY A 6 16.693 4.656 6.960 1.00 0.00 O ATOM 73 H GLY A 6 20.614 5.056 8.628 1.00 0.00 H ATOM 74 HA2 GLY A 6 19.049 3.952 6.558 1.00 0.00 H ATOM 75 HA3 GLY A 6 19.128 3.363 8.211 1.00 0.00 H ATOM 76 N LYS A 7 17.302 5.265 9.048 1.00 0.00 N ATOM 77 CA LYS A 7 15.982 5.784 9.400 1.00 0.00 C ATOM 78 C LYS A 7 15.862 7.271 9.063 1.00 0.00 C ATOM 79 O LYS A 7 15.113 8.005 9.707 1.00 0.00 O ATOM 80 CB LYS A 7 15.696 5.562 10.891 1.00 0.00 C ATOM 81 CG LYS A 7 15.694 4.098 11.312 1.00 0.00 C ATOM 82 CD LYS A 7 14.657 3.272 10.555 1.00 0.00 C ATOM 83 CE LYS A 7 13.224 3.662 10.914 1.00 0.00 C ATOM 84 NZ LYS A 7 12.843 4.977 10.394 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.024 5.305 9.710 1.00 0.00 H ATOM 86 HA LYS A 7 15.255 5.243 8.822 1.00 0.00 H ATOM 87 HB2 LYS A 7 16.451 6.074 11.469 1.00 0.00 H ATOM 88 HB3 LYS A 7 14.731 5.984 11.127 1.00 0.00 H ATOM 89 HG2 LYS A 7 16.671 3.680 11.123 1.00 0.00 H ATOM 90 HG3 LYS A 7 15.479 4.041 12.370 1.00 0.00 H ATOM 91 HD2 LYS A 7 14.802 3.417 9.495 1.00 0.00 H ATOM 92 HD3 LYS A 7 14.805 2.229 10.795 1.00 0.00 H ATOM 93 HE2 LYS A 7 12.553 2.922 10.506 1.00 0.00 H ATOM 94 HE3 LYS A 7 13.130 3.672 11.990 1.00 0.00 H ATOM 95 HZ1 LYS A 7 12.518 5.640 11.038 1.00 0.00 H ATOM 96 N ARG A 8 16.608 7.714 8.056 1.00 0.00 N ATOM 97 CA ARG A 8 16.577 9.114 7.650 1.00 0.00 C ATOM 98 C ARG A 8 15.668 9.343 6.439 1.00 0.00 C ATOM 99 O ARG A 8 14.639 10.011 6.540 1.00 0.00 O ATOM 100 CB ARG A 8 17.997 9.596 7.326 1.00 0.00 C ATOM 101 CG ARG A 8 18.062 11.032 6.825 1.00 0.00 C ATOM 102 CD ARG A 8 19.244 11.243 5.891 1.00 0.00 C ATOM 103 NE ARG A 8 20.533 11.016 6.547 1.00 0.00 N ATOM 104 CZ ARG A 8 21.700 10.996 5.900 1.00 0.00 C ATOM 105 NH1 ARG A 8 21.741 11.126 4.575 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 22.830 10.831 6.578 1.00 0.00 N ATOM 107 H ARG A 8 17.192 7.090 7.579 1.00 0.00 H ATOM 108 HA ARG A 8 16.194 9.685 8.480 1.00 0.00 H ATOM 109 HB2 ARG A 8 18.600 9.524 8.219 1.00 0.00 H ATOM 110 HB3 ARG A 8 18.417 8.954 6.568 1.00 0.00 H ATOM 111 HG2 ARG A 8 17.151 11.260 6.292 1.00 0.00 H ATOM 112 HG3 ARG A 8 18.160 11.697 7.672 1.00 0.00 H ATOM 113 HD2 ARG A 8 19.154 10.558 5.062 1.00 0.00 H ATOM 114 HD3 ARG A 8 19.215 12.256 5.520 1.00 0.00 H ATOM 115 HE ARG A 8 20.531 10.892 7.520 1.00 0.00 H ATOM 116 HH11 ARG A 8 20.894 11.242 4.054 1.00 0.00 H ATOM 117 HH12 ARG A 8 22.620 11.106 4.096 1.00 0.00 H ATOM 118 HH21 ARG A 8 22.806 10.724 7.572 1.00 0.00 H ATOM 119 HH22 ARG A 8 23.707 10.812 6.095 1.00 0.00 H ATOM 120 N LYS A 9 16.085 8.812 5.288 1.00 0.00 N ATOM 121 CA LYS A 9 15.351 8.982 4.032 1.00 0.00 C ATOM 122 C LYS A 9 14.031 8.212 4.005 1.00 0.00 C ATOM 123 O LYS A 9 12.959 8.813 3.923 1.00 0.00 O ATOM 124 CB LYS A 9 16.227 8.534 2.858 1.00 0.00 C ATOM 125 CG LYS A 9 17.531 9.309 2.736 1.00 0.00 C ATOM 126 CD LYS A 9 18.477 8.689 1.712 1.00 0.00 C ATOM 127 CE LYS A 9 19.096 7.385 2.207 1.00 0.00 C ATOM 128 NZ LYS A 9 18.117 6.262 2.244 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.930 8.315 5.278 1.00 0.00 H ATOM 130 HA LYS A 9 15.137 10.032 3.920 1.00 0.00 H ATOM 131 HB2 LYS A 9 16.464 7.491 2.985 1.00 0.00 H ATOM 132 HB3 LYS A 9 15.671 8.658 1.942 1.00 0.00 H ATOM 133 HG2 LYS A 9 17.306 10.320 2.430 1.00 0.00 H ATOM 134 HG3 LYS A 9 18.018 9.326 3.699 1.00 0.00 H ATOM 135 HD2 LYS A 9 17.924 8.486 0.807 1.00 0.00 H ATOM 136 HD3 LYS A 9 19.268 9.394 1.500 1.00 0.00 H ATOM 137 HE2 LYS A 9 19.907 7.117 1.549 1.00 0.00 H ATOM 138 HE3 LYS A 9 19.484 7.544 3.204 1.00 0.00 H ATOM 139 HZ1 LYS A 9 17.739 6.149 3.207 1.00 0.00 H ATOM 140 HZ2 LYS A 9 18.582 5.375 1.960 1.00 0.00 H ATOM 141 HZ3 LYS A 9 17.329 6.450 1.591 1.00 0.00 H ATOM 142 N SER A 10 14.124 6.884 4.042 1.00 0.00 N ATOM 143 CA SER A 10 12.945 6.013 3.986 1.00 0.00 C ATOM 144 C SER A 10 11.950 6.288 5.116 1.00 0.00 C ATOM 145 O SER A 10 10.739 6.274 4.895 1.00 0.00 O ATOM 146 CB SER A 10 13.372 4.541 4.026 1.00 0.00 C ATOM 147 OG SER A 10 14.074 4.239 5.220 1.00 0.00 O ATOM 148 H SER A 10 15.013 6.474 4.085 1.00 0.00 H ATOM 149 HA SER A 10 12.452 6.199 3.047 1.00 0.00 H ATOM 150 HB2 SER A 10 12.494 3.913 3.971 1.00 0.00 H ATOM 151 HB3 SER A 10 14.014 4.333 3.182 1.00 0.00 H ATOM 152 HG SER A 10 13.580 3.591 5.727 1.00 0.00 H ATOM 153 N ASP A 11 12.466 6.513 6.319 1.00 0.00 N ATOM 154 CA ASP A 11 11.626 6.763 7.490 1.00 0.00 C ATOM 155 C ASP A 11 10.869 8.087 7.393 1.00 0.00 C ATOM 156 O ASP A 11 9.665 8.133 7.655 1.00 0.00 O ATOM 157 CB ASP A 11 12.484 6.729 8.753 1.00 0.00 C ATOM 158 CG ASP A 11 12.918 5.317 9.107 1.00 0.00 C ATOM 159 OD1 ASP A 11 13.324 4.548 8.233 1.00 0.00 O ATOM 160 H ASP A 11 13.439 6.495 6.430 1.00 0.00 H ATOM 161 HA ASP A 11 10.903 5.965 7.546 1.00 0.00 H ATOM 162 HB2 ASP A 11 13.368 7.326 8.595 1.00 0.00 H ATOM 163 HB3 ASP A 11 11.924 7.136 9.581 1.00 0.00 H ATOM 164 N ARG A 12 11.571 9.158 7.031 1.00 0.00 N ATOM 165 CA ARG A 12 10.944 10.477 6.920 1.00 0.00 C ATOM 166 C ARG A 12 9.944 10.536 5.766 1.00 0.00 C ATOM 167 O ARG A 12 8.818 11.000 5.942 1.00 0.00 O ATOM 168 CB ARG A 12 11.998 11.576 6.763 1.00 0.00 C ATOM 169 CG ARG A 12 12.837 11.805 8.013 1.00 0.00 C ATOM 170 CD ARG A 12 11.969 12.162 9.212 1.00 0.00 C ATOM 171 NE ARG A 12 12.765 12.494 10.395 1.00 0.00 N ATOM 172 CZ ARG A 12 13.525 11.621 11.064 1.00 0.00 C ATOM 173 NH1 ARG A 12 13.572 10.341 10.702 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 14.234 12.031 12.110 1.00 0.00 N ATOM 175 H ARG A 12 12.529 9.062 6.842 1.00 0.00 H ATOM 176 HA ARG A 12 10.404 10.649 7.837 1.00 0.00 H ATOM 177 HB2 ARG A 12 12.662 11.311 5.954 1.00 0.00 H ATOM 178 HB3 ARG A 12 11.500 12.503 6.517 1.00 0.00 H ATOM 179 HG2 ARG A 12 13.387 10.903 8.235 1.00 0.00 H ATOM 180 HG3 ARG A 12 13.529 12.613 7.827 1.00 0.00 H ATOM 181 HD2 ARG A 12 11.357 13.014 8.954 1.00 0.00 H ATOM 182 HD3 ARG A 12 11.331 11.321 9.443 1.00 0.00 H ATOM 183 HE ARG A 12 12.740 13.423 10.704 1.00 0.00 H ATOM 184 HH11 ARG A 12 13.035 10.018 9.924 1.00 0.00 H ATOM 185 HH12 ARG A 12 14.149 9.699 11.208 1.00 0.00 H ATOM 186 HH21 ARG A 12 14.197 12.990 12.395 1.00 0.00 H ATOM 187 HH22 ARG A 12 14.803 11.383 12.615 1.00 0.00 H ATOM 188 N LYS A 13 10.351 10.069 4.592 1.00 0.00 N ATOM 189 CA LYS A 13 9.467 10.086 3.428 1.00 0.00 C ATOM 190 C LYS A 13 8.176 9.320 3.716 1.00 0.00 C ATOM 191 O LYS A 13 7.095 9.733 3.291 1.00 0.00 O ATOM 192 CB LYS A 13 10.167 9.516 2.184 1.00 0.00 C ATOM 193 CG LYS A 13 10.481 8.029 2.262 1.00 0.00 C ATOM 194 CD LYS A 13 11.132 7.511 0.982 1.00 0.00 C ATOM 195 CE LYS A 13 12.551 8.041 0.793 1.00 0.00 C ATOM 196 NZ LYS A 13 12.586 9.486 0.427 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.258 9.710 4.505 1.00 0.00 H ATOM 198 HA LYS A 13 9.210 11.117 3.236 1.00 0.00 H ATOM 199 HB2 LYS A 13 9.533 9.680 1.325 1.00 0.00 H ATOM 200 HB3 LYS A 13 11.093 10.050 2.040 1.00 0.00 H ATOM 201 HG2 LYS A 13 11.153 7.857 3.088 1.00 0.00 H ATOM 202 HG3 LYS A 13 9.562 7.487 2.428 1.00 0.00 H ATOM 203 HD2 LYS A 13 11.169 6.433 1.021 1.00 0.00 H ATOM 204 HD3 LYS A 13 10.531 7.819 0.139 1.00 0.00 H ATOM 205 HE2 LYS A 13 13.096 7.902 1.714 1.00 0.00 H ATOM 206 HE3 LYS A 13 13.029 7.470 0.010 1.00 0.00 H ATOM 207 HZ1 LYS A 13 12.797 10.062 1.267 1.00 0.00 H ATOM 208 HZ2 LYS A 13 11.669 9.783 0.036 1.00 0.00 H ATOM 209 HZ3 LYS A 13 13.324 9.653 -0.287 1.00 0.00 H ATOM 210 N LYS A 14 8.292 8.207 4.448 1.00 0.00 N ATOM 211 CA LYS A 14 7.130 7.391 4.800 1.00 0.00 C ATOM 212 C LYS A 14 6.210 8.129 5.775 1.00 0.00 C ATOM 213 O LYS A 14 4.990 8.139 5.598 1.00 0.00 O ATOM 214 CB LYS A 14 7.567 6.057 5.420 1.00 0.00 C ATOM 215 CG LYS A 14 7.123 4.832 4.631 1.00 0.00 C ATOM 216 CD LYS A 14 5.637 4.883 4.298 1.00 0.00 C ATOM 217 CE LYS A 14 4.776 4.981 5.549 1.00 0.00 C ATOM 218 NZ LYS A 14 3.416 5.415 5.232 1.00 0.00 N1+ ATOM 219 H LYS A 14 9.180 7.934 4.764 1.00 0.00 H ATOM 220 HA LYS A 14 6.582 7.193 3.892 1.00 0.00 H ATOM 221 HB2 LYS A 14 8.643 6.041 5.488 1.00 0.00 H ATOM 222 HB3 LYS A 14 7.154 5.985 6.415 1.00 0.00 H ATOM 223 HG2 LYS A 14 7.685 4.784 3.711 1.00 0.00 H ATOM 224 HG3 LYS A 14 7.318 3.948 5.221 1.00 0.00 H ATOM 225 HD2 LYS A 14 5.447 5.745 3.676 1.00 0.00 H ATOM 226 HD3 LYS A 14 5.370 3.986 3.760 1.00 0.00 H ATOM 227 HE2 LYS A 14 4.736 4.011 6.021 1.00 0.00 H ATOM 228 HE3 LYS A 14 5.224 5.694 6.226 1.00 0.00 H ATOM 229 HZ1 LYS A 14 3.047 5.147 4.365 1.00 0.00 H ATOM 230 N LYS A 15 6.805 8.739 6.802 1.00 0.00 N ATOM 231 CA LYS A 15 6.049 9.478 7.816 1.00 0.00 C ATOM 232 C LYS A 15 5.225 10.599 7.183 1.00 0.00 C ATOM 233 O LYS A 15 4.081 10.832 7.573 1.00 0.00 O ATOM 234 CB LYS A 15 6.998 10.055 8.870 1.00 0.00 C ATOM 235 CG LYS A 15 6.283 10.785 9.999 1.00 0.00 C ATOM 236 CD LYS A 15 7.266 11.438 10.960 1.00 0.00 C ATOM 237 CE LYS A 15 8.094 10.407 11.709 1.00 0.00 C ATOM 238 NZ LYS A 15 9.080 11.045 12.624 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.780 8.688 6.882 1.00 0.00 H ATOM 240 HA LYS A 15 5.376 8.783 8.295 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.573 9.248 9.299 1.00 0.00 H ATOM 242 HB3 LYS A 15 7.671 10.750 8.391 1.00 0.00 H ATOM 243 HG2 LYS A 15 5.649 11.549 9.577 1.00 0.00 H ATOM 244 HG3 LYS A 15 5.679 10.074 10.545 1.00 0.00 H ATOM 245 HD2 LYS A 15 7.930 12.079 10.400 1.00 0.00 H ATOM 246 HD3 LYS A 15 6.713 12.030 11.675 1.00 0.00 H ATOM 247 HE2 LYS A 15 7.429 9.784 12.290 1.00 0.00 H ATOM 248 HE3 LYS A 15 8.622 9.797 10.991 1.00 0.00 H ATOM 249 HZ1 LYS A 15 8.617 11.788 13.187 1.00 0.00 H ATOM 250 HZ2 LYS A 15 9.853 11.472 12.075 1.00 0.00 H ATOM 251 HZ3 LYS A 15 9.481 10.334 13.269 1.00 0.00 H ATOM 252 N ASN A 16 5.814 11.290 6.208 1.00 0.00 N ATOM 253 CA ASN A 16 5.129 12.384 5.521 1.00 0.00 C ATOM 254 C ASN A 16 4.032 11.858 4.590 1.00 0.00 C ATOM 255 O ASN A 16 2.975 12.478 4.457 1.00 0.00 O ATOM 256 CB ASN A 16 6.123 13.236 4.727 1.00 0.00 C ATOM 257 CG ASN A 16 7.111 13.963 5.622 1.00 0.00 C ATOM 258 OD1 ASN A 16 6.720 14.718 6.513 1.00 0.00 O ATOM 259 ND2 ASN A 16 8.401 13.745 5.387 1.00 0.00 N ATOM 260 H ASN A 16 6.729 11.055 5.943 1.00 0.00 H ATOM 261 HA ASN A 16 4.668 13.003 6.276 1.00 0.00 H ATOM 262 HB2 ASN A 16 6.677 12.599 4.054 1.00 0.00 H ATOM 263 HB3 ASN A 16 5.578 13.972 4.152 1.00 0.00 H ATOM 264 HD21 ASN A 16 8.643 13.136 4.659 1.00 0.00 H ATOM 265 HD22 ASN A 16 9.056 14.204 5.953 1.00 0.00 H ATOM 266 N GLN A 17 4.297 10.720 3.942 1.00 0.00 N ATOM 267 CA GLN A 17 3.341 10.113 3.013 1.00 0.00 C ATOM 268 C GLN A 17 2.079 9.628 3.735 1.00 0.00 C ATOM 269 O GLN A 17 0.994 10.176 3.537 1.00 0.00 O ATOM 270 CB GLN A 17 4.005 8.947 2.271 1.00 0.00 C ATOM 271 CG GLN A 17 3.136 8.328 1.184 1.00 0.00 C ATOM 272 CD GLN A 17 3.776 7.126 0.493 1.00 0.00 C ATOM 273 OE1 GLN A 17 3.200 6.567 -0.440 1.00 0.00 O ATOM 274 NE2 GLN A 17 4.964 6.710 0.941 1.00 0.00 N ATOM 275 H GLN A 17 5.160 10.282 4.087 1.00 0.00 H ATOM 276 HA GLN A 17 3.059 10.866 2.295 1.00 0.00 H ATOM 277 HB2 GLN A 17 4.917 9.301 1.814 1.00 0.00 H ATOM 278 HB3 GLN A 17 4.250 8.177 2.987 1.00 0.00 H ATOM 279 HG2 GLN A 17 2.206 8.008 1.629 1.00 0.00 H ATOM 280 HG3 GLN A 17 2.932 9.082 0.439 1.00 0.00 H ATOM 281 HE21 GLN A 17 5.378 7.187 1.688 1.00 0.00 H ATOM 282 HE22 GLN A 17 5.377 5.939 0.499 1.00 0.00 H ATOM 283 N ASP A 18 2.230 8.596 4.568 1.00 0.00 N ATOM 284 CA ASP A 18 1.100 8.034 5.317 1.00 0.00 C ATOM 285 C ASP A 18 0.905 8.738 6.661 1.00 0.00 C ATOM 286 O ASP A 18 -0.223 8.895 7.130 1.00 0.00 O ATOM 287 CB ASP A 18 1.284 6.521 5.528 1.00 0.00 C ATOM 288 CG ASP A 18 2.666 6.159 6.045 1.00 0.00 C ATOM 289 OD1 ASP A 18 3.054 6.554 7.146 1.00 0.00 O ATOM 290 H ASP A 18 3.120 8.204 4.680 1.00 0.00 H ATOM 291 HA ASP A 18 0.212 8.190 4.723 1.00 0.00 H ATOM 292 HB2 ASP A 18 0.552 6.175 6.242 1.00 0.00 H ATOM 293 HB3 ASP A 18 1.127 6.014 4.586 1.00 0.00 H HETATM 294 N NH2 A 19 1.999 9.162 7.287 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.868 9.008 6.863 1.00 0.00 H HETATM 296 HN2 NH2 A 19 1.890 9.614 8.150 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 6 ATOM 1 N PHE A 1 30.502 -0.337 10.198 1.00 0.00 N ATOM 2 CA PHE A 1 30.583 1.111 10.023 1.00 0.00 C ATOM 3 C PHE A 1 29.341 1.797 10.587 1.00 0.00 C ATOM 4 O PHE A 1 28.213 1.365 10.338 1.00 0.00 O ATOM 5 CB PHE A 1 30.749 1.468 8.541 1.00 0.00 C ATOM 6 CG PHE A 1 32.080 1.072 7.953 1.00 0.00 C ATOM 7 CD1 PHE A 1 32.558 -0.226 8.068 1.00 0.00 C ATOM 8 CD2 PHE A 1 32.853 2.006 7.282 1.00 0.00 C ATOM 9 CE1 PHE A 1 33.780 -0.581 7.525 1.00 0.00 C ATOM 10 CE2 PHE A 1 34.075 1.656 6.737 1.00 0.00 C ATOM 11 CZ PHE A 1 34.538 0.361 6.860 1.00 0.00 C ATOM 12 H1 PHE A 1 31.221 -0.803 10.673 1.00 0.00 H ATOM 13 HA PHE A 1 31.449 1.460 10.566 1.00 0.00 H ATOM 14 HB2 PHE A 1 29.979 0.970 7.972 1.00 0.00 H ATOM 15 HB3 PHE A 1 30.640 2.536 8.425 1.00 0.00 H ATOM 16 HD1 PHE A 1 31.967 -0.965 8.588 1.00 0.00 H ATOM 17 HD2 PHE A 1 32.493 3.019 7.185 1.00 0.00 H ATOM 18 HE1 PHE A 1 34.141 -1.594 7.622 1.00 0.00 H ATOM 19 HE2 PHE A 1 34.667 2.395 6.216 1.00 0.00 H ATOM 20 HZ PHE A 1 35.493 0.086 6.435 1.00 0.00 H ATOM 21 N GLY A 2 29.561 2.869 11.351 1.00 0.00 N ATOM 22 CA GLY A 2 28.461 3.608 11.950 1.00 0.00 C ATOM 23 C GLY A 2 27.771 4.540 10.970 1.00 0.00 C ATOM 24 O GLY A 2 28.042 5.742 10.960 1.00 0.00 O ATOM 25 H GLY A 2 30.483 3.160 11.511 1.00 0.00 H ATOM 26 HA2 GLY A 2 27.735 2.905 12.330 1.00 0.00 H ATOM 27 HA3 GLY A 2 28.844 4.192 12.774 1.00 0.00 H ATOM 28 N GLY A 3 26.876 3.986 10.149 1.00 0.00 N ATOM 29 CA GLY A 3 26.155 4.793 9.177 1.00 0.00 C ATOM 30 C GLY A 3 25.268 5.839 9.834 1.00 0.00 C ATOM 31 O GLY A 3 24.502 5.525 10.747 1.00 0.00 O ATOM 32 H GLY A 3 26.702 3.024 10.207 1.00 0.00 H ATOM 33 HA2 GLY A 3 26.869 5.290 8.537 1.00 0.00 H ATOM 34 HA3 GLY A 3 25.538 4.142 8.574 1.00 0.00 H ATOM 35 N PHE A 4 25.379 7.084 9.369 1.00 0.00 N ATOM 36 CA PHE A 4 24.588 8.189 9.914 1.00 0.00 C ATOM 37 C PHE A 4 23.113 8.053 9.533 1.00 0.00 C ATOM 38 O PHE A 4 22.689 8.536 8.481 1.00 0.00 O ATOM 39 CB PHE A 4 25.141 9.533 9.419 1.00 0.00 C ATOM 40 CG PHE A 4 25.610 10.446 10.520 1.00 0.00 C ATOM 41 CD1 PHE A 4 26.301 9.944 11.613 1.00 0.00 C ATOM 42 CD2 PHE A 4 25.365 11.810 10.458 1.00 0.00 C ATOM 43 CE1 PHE A 4 26.737 10.784 12.622 1.00 0.00 C ATOM 44 CE2 PHE A 4 25.800 12.654 11.463 1.00 0.00 C ATOM 45 CZ PHE A 4 26.485 12.141 12.546 1.00 0.00 C ATOM 46 H PHE A 4 26.012 7.266 8.643 1.00 0.00 H ATOM 47 HA PHE A 4 24.671 8.153 10.989 1.00 0.00 H ATOM 48 HB2 PHE A 4 25.978 9.348 8.764 1.00 0.00 H ATOM 49 HB3 PHE A 4 24.368 10.048 8.866 1.00 0.00 H ATOM 50 HD1 PHE A 4 26.498 8.885 11.675 1.00 0.00 H ATOM 51 HD2 PHE A 4 24.827 12.213 9.612 1.00 0.00 H ATOM 52 HE1 PHE A 4 27.272 10.380 13.468 1.00 0.00 H ATOM 53 HE2 PHE A 4 25.603 13.714 11.401 1.00 0.00 H ATOM 54 HZ PHE A 4 26.827 12.799 13.332 1.00 0.00 H ATOM 55 N THR A 5 22.339 7.392 10.404 1.00 0.00 N ATOM 56 CA THR A 5 20.904 7.184 10.183 1.00 0.00 C ATOM 57 C THR A 5 20.621 6.693 8.758 1.00 0.00 C ATOM 58 O THR A 5 20.051 7.416 7.936 1.00 0.00 O ATOM 59 CB THR A 5 20.090 8.468 10.477 1.00 0.00 C ATOM 60 OG1 THR A 5 20.503 9.539 9.618 1.00 0.00 O ATOM 61 CG2 THR A 5 20.258 8.894 11.930 1.00 0.00 C ATOM 62 H THR A 5 22.744 7.036 11.222 1.00 0.00 H ATOM 63 HA THR A 5 20.579 6.420 10.876 1.00 0.00 H ATOM 64 HB THR A 5 19.045 8.259 10.301 1.00 0.00 H ATOM 65 HG1 THR A 5 20.139 9.406 8.739 1.00 0.00 H ATOM 66 HG21 THR A 5 19.802 8.157 12.575 1.00 0.00 H ATOM 67 HG22 THR A 5 19.782 9.851 12.083 1.00 0.00 H ATOM 68 HG23 THR A 5 21.310 8.974 12.161 1.00 0.00 H ATOM 69 N GLY A 6 21.046 5.459 8.470 1.00 0.00 N ATOM 70 CA GLY A 6 20.856 4.880 7.145 1.00 0.00 C ATOM 71 C GLY A 6 19.421 4.951 6.645 1.00 0.00 C ATOM 72 O GLY A 6 19.171 5.457 5.549 1.00 0.00 O ATOM 73 H GLY A 6 21.504 4.939 9.162 1.00 0.00 H ATOM 74 HA2 GLY A 6 21.489 5.407 6.446 1.00 0.00 H ATOM 75 HA3 GLY A 6 21.161 3.845 7.174 1.00 0.00 H ATOM 76 N LYS A 7 18.477 4.445 7.442 1.00 0.00 N ATOM 77 CA LYS A 7 17.063 4.455 7.062 1.00 0.00 C ATOM 78 C LYS A 7 16.369 5.736 7.548 1.00 0.00 C ATOM 79 O LYS A 7 15.282 5.692 8.124 1.00 0.00 O ATOM 80 CB LYS A 7 16.351 3.218 7.624 1.00 0.00 C ATOM 81 CG LYS A 7 14.935 3.053 7.101 1.00 0.00 C ATOM 82 CD LYS A 7 14.104 2.141 7.986 1.00 0.00 C ATOM 83 CE LYS A 7 12.618 2.285 7.684 1.00 0.00 C ATOM 84 NZ LYS A 7 12.190 3.689 7.679 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.737 4.054 8.303 1.00 0.00 H ATOM 86 HA LYS A 7 17.013 4.424 5.984 1.00 0.00 H ATOM 87 HB2 LYS A 7 16.917 2.337 7.356 1.00 0.00 H ATOM 88 HB3 LYS A 7 16.309 3.296 8.700 1.00 0.00 H ATOM 89 HG2 LYS A 7 14.462 4.021 7.056 1.00 0.00 H ATOM 90 HG3 LYS A 7 14.979 2.628 6.108 1.00 0.00 H ATOM 91 HD2 LYS A 7 14.399 1.117 7.811 1.00 0.00 H ATOM 92 HD3 LYS A 7 14.280 2.397 9.021 1.00 0.00 H ATOM 93 HE2 LYS A 7 12.418 1.856 6.714 1.00 0.00 H ATOM 94 HE3 LYS A 7 12.057 1.750 8.436 1.00 0.00 H ATOM 95 HZ1 LYS A 7 11.669 3.994 6.910 1.00 0.00 H ATOM 96 N ARG A 8 17.003 6.877 7.311 1.00 0.00 N ATOM 97 CA ARG A 8 16.442 8.161 7.724 1.00 0.00 C ATOM 98 C ARG A 8 15.561 8.761 6.627 1.00 0.00 C ATOM 99 O ARG A 8 14.530 9.370 6.913 1.00 0.00 O ATOM 100 CB ARG A 8 17.569 9.132 8.102 1.00 0.00 C ATOM 101 CG ARG A 8 17.090 10.505 8.558 1.00 0.00 C ATOM 102 CD ARG A 8 16.916 11.468 7.390 1.00 0.00 C ATOM 103 NE ARG A 8 18.194 11.793 6.750 1.00 0.00 N ATOM 104 CZ ARG A 8 18.321 12.610 5.699 1.00 0.00 C ATOM 105 NH1 ARG A 8 17.250 13.180 5.150 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 19.525 12.856 5.194 1.00 0.00 N ATOM 107 H ARG A 8 17.867 6.858 6.850 1.00 0.00 H ATOM 108 HA ARG A 8 15.830 7.984 8.595 1.00 0.00 H ATOM 109 HB2 ARG A 8 18.145 8.694 8.902 1.00 0.00 H ATOM 110 HB3 ARG A 8 18.211 9.267 7.244 1.00 0.00 H ATOM 111 HG2 ARG A 8 16.142 10.395 9.061 1.00 0.00 H ATOM 112 HG3 ARG A 8 17.816 10.915 9.246 1.00 0.00 H ATOM 113 HD2 ARG A 8 16.263 11.017 6.660 1.00 0.00 H ATOM 114 HD3 ARG A 8 16.468 12.379 7.757 1.00 0.00 H ATOM 115 HE ARG A 8 19.003 11.385 7.124 1.00 0.00 H ATOM 116 HH11 ARG A 8 16.339 13.001 5.522 1.00 0.00 H ATOM 117 HH12 ARG A 8 17.356 13.788 4.364 1.00 0.00 H ATOM 118 HH21 ARG A 8 20.334 12.430 5.601 1.00 0.00 H ATOM 119 HH22 ARG A 8 19.623 13.465 4.407 1.00 0.00 H ATOM 120 N LYS A 9 15.987 8.598 5.375 1.00 0.00 N ATOM 121 CA LYS A 9 15.255 9.136 4.228 1.00 0.00 C ATOM 122 C LYS A 9 13.962 8.365 3.950 1.00 0.00 C ATOM 123 O LYS A 9 12.918 8.971 3.701 1.00 0.00 O ATOM 124 CB LYS A 9 16.139 9.133 2.974 1.00 0.00 C ATOM 125 CG LYS A 9 17.304 10.119 3.023 1.00 0.00 C ATOM 126 CD LYS A 9 18.347 9.741 4.069 1.00 0.00 C ATOM 127 CE LYS A 9 18.973 8.381 3.790 1.00 0.00 C ATOM 128 NZ LYS A 9 19.727 8.363 2.504 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.821 8.110 5.218 1.00 0.00 H ATOM 130 HA LYS A 9 14.998 10.155 4.462 1.00 0.00 H ATOM 131 HB2 LYS A 9 16.543 8.141 2.837 1.00 0.00 H ATOM 132 HB3 LYS A 9 15.527 9.379 2.120 1.00 0.00 H ATOM 133 HG2 LYS A 9 17.780 10.142 2.054 1.00 0.00 H ATOM 134 HG3 LYS A 9 16.916 11.100 3.255 1.00 0.00 H ATOM 135 HD2 LYS A 9 19.126 10.487 4.066 1.00 0.00 H ATOM 136 HD3 LYS A 9 17.876 9.719 5.041 1.00 0.00 H ATOM 137 HE2 LYS A 9 19.650 8.140 4.595 1.00 0.00 H ATOM 138 HE3 LYS A 9 18.189 7.639 3.748 1.00 0.00 H ATOM 139 HZ1 LYS A 9 20.388 7.560 2.490 1.00 0.00 H ATOM 140 HZ2 LYS A 9 20.266 9.244 2.392 1.00 0.00 H ATOM 141 HZ3 LYS A 9 19.068 8.269 1.704 1.00 0.00 H ATOM 142 N SER A 10 14.037 7.032 3.972 1.00 0.00 N ATOM 143 CA SER A 10 12.869 6.187 3.696 1.00 0.00 C ATOM 144 C SER A 10 11.799 6.303 4.785 1.00 0.00 C ATOM 145 O SER A 10 10.621 6.494 4.478 1.00 0.00 O ATOM 146 CB SER A 10 13.291 4.724 3.525 1.00 0.00 C ATOM 147 OG SER A 10 13.917 4.228 4.693 1.00 0.00 O ATOM 148 H SER A 10 14.899 6.608 4.162 1.00 0.00 H ATOM 149 HA SER A 10 12.441 6.528 2.769 1.00 0.00 H ATOM 150 HB2 SER A 10 12.420 4.122 3.317 1.00 0.00 H ATOM 151 HB3 SER A 10 13.985 4.647 2.699 1.00 0.00 H ATOM 152 HG SER A 10 13.315 3.636 5.150 1.00 0.00 H ATOM 153 N ASP A 11 12.207 6.185 6.052 1.00 0.00 N ATOM 154 CA ASP A 11 11.264 6.277 7.173 1.00 0.00 C ATOM 155 C ASP A 11 10.611 7.656 7.223 1.00 0.00 C ATOM 156 O ASP A 11 9.397 7.770 7.396 1.00 0.00 O ATOM 157 CB ASP A 11 11.962 5.990 8.511 1.00 0.00 C ATOM 158 CG ASP A 11 12.475 4.558 8.660 1.00 0.00 C ATOM 159 OD1 ASP A 11 13.122 4.241 9.658 1.00 0.00 O ATOM 160 H ASP A 11 13.157 6.033 6.235 1.00 0.00 H ATOM 161 HA ASP A 11 10.493 5.540 7.016 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.804 6.656 8.614 1.00 0.00 H ATOM 163 HB3 ASP A 11 11.263 6.182 9.313 1.00 0.00 H ATOM 164 N ARG A 12 11.427 8.700 7.065 1.00 0.00 N ATOM 165 CA ARG A 12 10.932 10.077 7.085 1.00 0.00 C ATOM 166 C ARG A 12 9.929 10.311 5.956 1.00 0.00 C ATOM 167 O ARG A 12 8.897 10.955 6.158 1.00 0.00 O ATOM 168 CB ARG A 12 12.098 11.064 6.964 1.00 0.00 C ATOM 169 CG ARG A 12 11.688 12.522 7.112 1.00 0.00 C ATOM 170 CD ARG A 12 11.115 12.809 8.493 1.00 0.00 C ATOM 171 NE ARG A 12 12.081 12.543 9.562 1.00 0.00 N ATOM 172 CZ ARG A 12 13.205 13.239 9.753 1.00 0.00 C ATOM 173 NH1 ARG A 12 13.498 14.282 8.981 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 14.034 12.898 10.734 1.00 0.00 N ATOM 175 H ARG A 12 12.384 8.540 6.929 1.00 0.00 H ATOM 176 HA ARG A 12 10.434 10.234 8.029 1.00 0.00 H ATOM 177 HB2 ARG A 12 12.824 10.840 7.732 1.00 0.00 H ATOM 178 HB3 ARG A 12 12.560 10.940 5.997 1.00 0.00 H ATOM 179 HG2 ARG A 12 12.555 13.146 6.957 1.00 0.00 H ATOM 180 HG3 ARG A 12 10.941 12.753 6.367 1.00 0.00 H ATOM 181 HD2 ARG A 12 10.823 13.848 8.539 1.00 0.00 H ATOM 182 HD3 ARG A 12 10.245 12.186 8.644 1.00 0.00 H ATOM 183 HE ARG A 12 11.887 11.793 10.164 1.00 0.00 H ATOM 184 HH11 ARG A 12 12.877 14.555 8.248 1.00 0.00 H ATOM 185 HH12 ARG A 12 14.343 14.796 9.134 1.00 0.00 H ATOM 186 HH21 ARG A 12 13.818 12.121 11.324 1.00 0.00 H ATOM 187 HH22 ARG A 12 14.876 13.418 10.881 1.00 0.00 H ATOM 188 N LYS A 13 10.239 9.782 4.770 1.00 0.00 N ATOM 189 CA LYS A 13 9.367 9.928 3.606 1.00 0.00 C ATOM 190 C LYS A 13 7.995 9.308 3.878 1.00 0.00 C ATOM 191 O LYS A 13 6.964 9.885 3.530 1.00 0.00 O ATOM 192 CB LYS A 13 10.003 9.271 2.375 1.00 0.00 C ATOM 193 CG LYS A 13 9.439 9.769 1.051 1.00 0.00 C ATOM 194 CD LYS A 13 10.191 10.988 0.512 1.00 0.00 C ATOM 195 CE LYS A 13 10.175 12.172 1.475 1.00 0.00 C ATOM 196 NZ LYS A 13 11.232 12.073 2.525 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.075 9.278 4.679 1.00 0.00 H ATOM 198 HA LYS A 13 9.238 10.980 3.418 1.00 0.00 H ATOM 199 HB2 LYS A 13 11.064 9.465 2.385 1.00 0.00 H ATOM 200 HB3 LYS A 13 9.843 8.204 2.429 1.00 0.00 H ATOM 201 HG2 LYS A 13 9.508 8.974 0.325 1.00 0.00 H ATOM 202 HG3 LYS A 13 8.401 10.034 1.194 1.00 0.00 H ATOM 203 HD2 LYS A 13 11.217 10.707 0.331 1.00 0.00 H ATOM 204 HD3 LYS A 13 9.734 11.290 -0.419 1.00 0.00 H ATOM 205 HE2 LYS A 13 10.334 13.078 0.909 1.00 0.00 H ATOM 206 HE3 LYS A 13 9.208 12.217 1.954 1.00 0.00 H ATOM 207 HZ1 LYS A 13 11.886 12.879 2.449 1.00 0.00 H ATOM 208 HZ2 LYS A 13 11.774 11.194 2.413 1.00 0.00 H ATOM 209 HZ3 LYS A 13 10.800 12.083 3.471 1.00 0.00 H ATOM 210 N LYS A 14 7.995 8.132 4.514 1.00 0.00 N ATOM 211 CA LYS A 14 6.756 7.432 4.851 1.00 0.00 C ATOM 212 C LYS A 14 5.876 8.280 5.773 1.00 0.00 C ATOM 213 O LYS A 14 4.658 8.342 5.595 1.00 0.00 O ATOM 214 CB LYS A 14 7.066 6.086 5.517 1.00 0.00 C ATOM 215 CG LYS A 14 5.839 5.395 6.096 1.00 0.00 C ATOM 216 CD LYS A 14 4.841 5.011 5.016 1.00 0.00 C ATOM 217 CE LYS A 14 3.464 4.738 5.602 1.00 0.00 C ATOM 218 NZ LYS A 14 2.853 5.953 6.141 1.00 0.00 N1+ ATOM 219 H LYS A 14 8.852 7.732 4.769 1.00 0.00 H ATOM 220 HA LYS A 14 6.220 7.253 3.932 1.00 0.00 H ATOM 221 HB2 LYS A 14 7.510 5.429 4.784 1.00 0.00 H ATOM 222 HB3 LYS A 14 7.773 6.247 6.317 1.00 0.00 H ATOM 223 HG2 LYS A 14 6.155 4.500 6.613 1.00 0.00 H ATOM 224 HG3 LYS A 14 5.360 6.064 6.795 1.00 0.00 H ATOM 225 HD2 LYS A 14 4.764 5.820 4.305 1.00 0.00 H ATOM 226 HD3 LYS A 14 5.192 4.122 4.514 1.00 0.00 H ATOM 227 HE2 LYS A 14 2.829 4.338 4.827 1.00 0.00 H ATOM 228 HE3 LYS A 14 3.562 4.013 6.397 1.00 0.00 H ATOM 229 HZ1 LYS A 14 3.387 6.490 6.763 1.00 0.00 H ATOM 230 N LYS A 15 6.505 8.929 6.756 1.00 0.00 N ATOM 231 CA LYS A 15 5.789 9.777 7.710 1.00 0.00 C ATOM 232 C LYS A 15 4.997 10.865 6.984 1.00 0.00 C ATOM 233 O LYS A 15 3.860 11.165 7.349 1.00 0.00 O ATOM 234 CB LYS A 15 6.779 10.415 8.693 1.00 0.00 C ATOM 235 CG LYS A 15 6.115 11.172 9.834 1.00 0.00 C ATOM 236 CD LYS A 15 7.141 11.870 10.719 1.00 0.00 C ATOM 237 CE LYS A 15 8.131 10.890 11.335 1.00 0.00 C ATOM 238 NZ LYS A 15 7.465 9.904 12.233 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.476 8.838 6.839 1.00 0.00 H ATOM 240 HA LYS A 15 5.102 9.153 8.260 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.396 9.637 9.117 1.00 0.00 H ATOM 242 HB3 LYS A 15 7.409 11.105 8.151 1.00 0.00 H ATOM 243 HG2 LYS A 15 5.448 11.913 9.421 1.00 0.00 H ATOM 244 HG3 LYS A 15 5.551 10.473 10.435 1.00 0.00 H ATOM 245 HD2 LYS A 15 7.686 12.586 10.124 1.00 0.00 H ATOM 246 HD3 LYS A 15 6.620 12.387 11.513 1.00 0.00 H ATOM 247 HE2 LYS A 15 8.631 10.357 10.541 1.00 0.00 H ATOM 248 HE3 LYS A 15 8.860 11.447 11.905 1.00 0.00 H ATOM 249 HZ1 LYS A 15 6.968 9.185 11.669 1.00 0.00 H ATOM 250 HZ2 LYS A 15 6.775 10.386 12.846 1.00 0.00 H ATOM 251 HZ3 LYS A 15 8.172 9.432 12.833 1.00 0.00 H ATOM 252 N ASN A 16 5.612 11.448 5.954 1.00 0.00 N ATOM 253 CA ASN A 16 4.975 12.503 5.165 1.00 0.00 C ATOM 254 C ASN A 16 3.850 11.934 4.293 1.00 0.00 C ATOM 255 O ASN A 16 2.772 12.525 4.198 1.00 0.00 O ATOM 256 CB ASN A 16 6.020 13.208 4.286 1.00 0.00 C ATOM 257 CG ASN A 16 5.497 14.456 3.576 1.00 0.00 C ATOM 258 OD1 ASN A 16 6.164 14.987 2.688 1.00 0.00 O ATOM 259 ND2 ASN A 16 4.322 14.951 3.968 1.00 0.00 N ATOM 260 H ASN A 16 6.518 11.158 5.717 1.00 0.00 H ATOM 261 HA ASN A 16 4.554 13.219 5.853 1.00 0.00 H ATOM 262 HB2 ASN A 16 6.854 13.503 4.905 1.00 0.00 H ATOM 263 HB3 ASN A 16 6.370 12.514 3.536 1.00 0.00 H ATOM 264 HD21 ASN A 16 3.843 14.503 4.692 1.00 0.00 H ATOM 265 HD22 ASN A 16 3.987 15.751 3.513 1.00 0.00 H ATOM 266 N GLN A 17 4.113 10.791 3.656 1.00 0.00 N ATOM 267 CA GLN A 17 3.131 10.143 2.783 1.00 0.00 C ATOM 268 C GLN A 17 1.839 9.826 3.539 1.00 0.00 C ATOM 269 O GLN A 17 0.755 10.234 3.122 1.00 0.00 O ATOM 270 CB GLN A 17 3.727 8.863 2.179 1.00 0.00 C ATOM 271 CG GLN A 17 2.850 8.195 1.128 1.00 0.00 C ATOM 272 CD GLN A 17 1.640 7.490 1.722 1.00 0.00 C ATOM 273 OE1 GLN A 17 1.778 6.594 2.553 1.00 0.00 O ATOM 274 NE2 GLN A 17 0.444 7.889 1.293 1.00 0.00 N ATOM 275 H GLN A 17 4.993 10.374 3.771 1.00 0.00 H ATOM 276 HA GLN A 17 2.900 10.829 1.984 1.00 0.00 H ATOM 277 HB2 GLN A 17 4.673 9.105 1.719 1.00 0.00 H ATOM 278 HB3 GLN A 17 3.899 8.153 2.975 1.00 0.00 H ATOM 279 HG2 GLN A 17 2.503 8.949 0.438 1.00 0.00 H ATOM 280 HG3 GLN A 17 3.444 7.468 0.594 1.00 0.00 H ATOM 281 HE21 GLN A 17 0.406 8.607 0.626 1.00 0.00 H ATOM 282 HE22 GLN A 17 -0.349 7.445 1.659 1.00 0.00 H ATOM 283 N ASP A 18 1.963 9.104 4.652 1.00 0.00 N ATOM 284 CA ASP A 18 0.801 8.740 5.464 1.00 0.00 C ATOM 285 C ASP A 18 0.230 9.964 6.178 1.00 0.00 C ATOM 286 O ASP A 18 -0.927 10.331 5.973 1.00 0.00 O ATOM 287 CB ASP A 18 1.167 7.658 6.487 1.00 0.00 C ATOM 288 CG ASP A 18 1.625 6.367 5.831 1.00 0.00 C ATOM 289 OD1 ASP A 18 0.885 5.754 5.058 1.00 0.00 O ATOM 290 H ASP A 18 2.855 8.812 4.934 1.00 0.00 H ATOM 291 HA ASP A 18 0.046 8.348 4.797 1.00 0.00 H ATOM 292 HB2 ASP A 18 1.967 8.022 7.114 1.00 0.00 H ATOM 293 HB3 ASP A 18 0.304 7.443 7.099 1.00 0.00 H HETATM 294 N NH2 A 19 1.043 10.600 7.017 1.00 0.00 N HETATM 295 HN1 NH2 A 19 1.953 10.255 7.135 1.00 0.00 H HETATM 296 HN2 NH2 A 19 0.699 11.390 7.485 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 7 ATOM 1 N PHE A 1 29.540 11.693 13.551 1.00 0.00 N ATOM 2 CA PHE A 1 30.460 10.892 12.750 1.00 0.00 C ATOM 3 C PHE A 1 29.802 9.573 12.345 1.00 0.00 C ATOM 4 O PHE A 1 29.947 9.124 11.207 1.00 0.00 O ATOM 5 CB PHE A 1 31.766 10.625 13.519 1.00 0.00 C ATOM 6 CG PHE A 1 32.543 11.872 13.885 1.00 0.00 C ATOM 7 CD1 PHE A 1 31.905 12.989 14.414 1.00 0.00 C ATOM 8 CD2 PHE A 1 33.918 11.927 13.698 1.00 0.00 C ATOM 9 CE1 PHE A 1 32.618 14.123 14.747 1.00 0.00 C ATOM 10 CE2 PHE A 1 34.635 13.062 14.031 1.00 0.00 C ATOM 11 CZ PHE A 1 33.984 14.161 14.555 1.00 0.00 C ATOM 12 H1 PHE A 1 28.949 12.332 13.103 1.00 0.00 H ATOM 13 HA PHE A 1 30.689 11.451 11.854 1.00 0.00 H ATOM 14 HB2 PHE A 1 31.535 10.102 14.434 1.00 0.00 H ATOM 15 HB3 PHE A 1 32.408 10.004 12.910 1.00 0.00 H ATOM 16 HD1 PHE A 1 30.838 12.967 14.570 1.00 0.00 H ATOM 17 HD2 PHE A 1 34.430 11.069 13.291 1.00 0.00 H ATOM 18 HE1 PHE A 1 32.106 14.983 15.158 1.00 0.00 H ATOM 19 HE2 PHE A 1 35.704 13.089 13.881 1.00 0.00 H ATOM 20 HZ PHE A 1 34.543 15.049 14.814 1.00 0.00 H ATOM 21 N GLY A 2 29.071 8.963 13.285 1.00 0.00 N ATOM 22 CA GLY A 2 28.385 7.708 13.009 1.00 0.00 C ATOM 23 C GLY A 2 27.203 7.885 12.069 1.00 0.00 C ATOM 24 O GLY A 2 26.390 8.794 12.252 1.00 0.00 O ATOM 25 H GLY A 2 28.989 9.375 14.171 1.00 0.00 H ATOM 26 HA2 GLY A 2 29.085 7.017 12.564 1.00 0.00 H ATOM 27 HA3 GLY A 2 28.028 7.293 13.942 1.00 0.00 H ATOM 28 N GLY A 3 27.107 7.013 11.063 1.00 0.00 N ATOM 29 CA GLY A 3 26.016 7.084 10.101 1.00 0.00 C ATOM 30 C GLY A 3 24.715 6.523 10.647 1.00 0.00 C ATOM 31 O GLY A 3 24.198 7.013 11.654 1.00 0.00 O ATOM 32 H GLY A 3 27.787 6.311 10.972 1.00 0.00 H ATOM 33 HA2 GLY A 3 25.860 8.118 9.829 1.00 0.00 H ATOM 34 HA3 GLY A 3 26.291 6.530 9.217 1.00 0.00 H ATOM 35 N PHE A 4 24.185 5.494 9.976 1.00 0.00 N ATOM 36 CA PHE A 4 22.933 4.854 10.386 1.00 0.00 C ATOM 37 C PHE A 4 21.753 5.830 10.264 1.00 0.00 C ATOM 38 O PHE A 4 20.873 5.877 11.126 1.00 0.00 O ATOM 39 CB PHE A 4 23.065 4.320 11.821 1.00 0.00 C ATOM 40 CG PHE A 4 21.903 3.475 12.273 1.00 0.00 C ATOM 41 CD1 PHE A 4 21.479 2.394 11.512 1.00 0.00 C ATOM 42 CD2 PHE A 4 21.239 3.762 13.452 1.00 0.00 C ATOM 43 CE1 PHE A 4 20.413 1.619 11.922 1.00 0.00 C ATOM 44 CE2 PHE A 4 20.172 2.988 13.868 1.00 0.00 C ATOM 45 CZ PHE A 4 19.758 1.916 13.102 1.00 0.00 C ATOM 46 H PHE A 4 24.647 5.156 9.181 1.00 0.00 H ATOM 47 HA PHE A 4 22.760 4.021 9.719 1.00 0.00 H ATOM 48 HB2 PHE A 4 23.956 3.715 11.887 1.00 0.00 H ATOM 49 HB3 PHE A 4 23.154 5.155 12.502 1.00 0.00 H ATOM 50 HD1 PHE A 4 21.993 2.160 10.592 1.00 0.00 H ATOM 51 HD2 PHE A 4 21.562 4.600 14.053 1.00 0.00 H ATOM 52 HE1 PHE A 4 20.091 0.780 11.321 1.00 0.00 H ATOM 53 HE2 PHE A 4 19.661 3.222 14.790 1.00 0.00 H ATOM 54 HZ PHE A 4 18.925 1.309 13.423 1.00 0.00 H ATOM 55 N THR A 5 21.744 6.605 9.177 1.00 0.00 N ATOM 56 CA THR A 5 20.680 7.578 8.925 1.00 0.00 C ATOM 57 C THR A 5 19.592 7.008 8.003 1.00 0.00 C ATOM 58 O THR A 5 18.477 7.531 7.957 1.00 0.00 O ATOM 59 CB THR A 5 21.244 8.878 8.311 1.00 0.00 C ATOM 60 OG1 THR A 5 22.219 9.449 9.191 1.00 0.00 O ATOM 61 CG2 THR A 5 20.137 9.894 8.057 1.00 0.00 C ATOM 62 H THR A 5 22.470 6.518 8.523 1.00 0.00 H ATOM 63 HA THR A 5 20.229 7.828 9.875 1.00 0.00 H ATOM 64 HB THR A 5 21.717 8.638 7.368 1.00 0.00 H ATOM 65 HG1 THR A 5 23.099 9.247 8.869 1.00 0.00 H ATOM 66 HG21 THR A 5 19.416 9.853 8.860 1.00 0.00 H ATOM 67 HG22 THR A 5 19.648 9.667 7.122 1.00 0.00 H ATOM 68 HG23 THR A 5 20.563 10.887 8.006 1.00 0.00 H ATOM 69 N GLY A 6 19.930 5.945 7.259 1.00 0.00 N ATOM 70 CA GLY A 6 18.988 5.326 6.336 1.00 0.00 C ATOM 71 C GLY A 6 17.590 5.150 6.914 1.00 0.00 C ATOM 72 O GLY A 6 16.601 5.420 6.231 1.00 0.00 O ATOM 73 H GLY A 6 20.836 5.581 7.330 1.00 0.00 H ATOM 74 HA2 GLY A 6 18.920 5.940 5.452 1.00 0.00 H ATOM 75 HA3 GLY A 6 19.372 4.356 6.052 1.00 0.00 H ATOM 76 N LYS A 7 17.505 4.699 8.167 1.00 0.00 N ATOM 77 CA LYS A 7 16.212 4.490 8.827 1.00 0.00 C ATOM 78 C LYS A 7 15.451 5.815 8.966 1.00 0.00 C ATOM 79 O LYS A 7 14.276 5.897 8.613 1.00 0.00 O ATOM 80 CB LYS A 7 16.410 3.845 10.211 1.00 0.00 C ATOM 81 CG LYS A 7 15.208 3.047 10.724 1.00 0.00 C ATOM 82 CD LYS A 7 13.909 3.840 10.672 1.00 0.00 C ATOM 83 CE LYS A 7 13.947 5.067 11.571 1.00 0.00 C ATOM 84 NZ LYS A 7 13.090 6.134 11.061 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.330 4.498 8.660 1.00 0.00 H ATOM 86 HA LYS A 7 15.629 3.825 8.209 1.00 0.00 H ATOM 87 HB2 LYS A 7 17.254 3.171 10.157 1.00 0.00 H ATOM 88 HB3 LYS A 7 16.632 4.622 10.927 1.00 0.00 H ATOM 89 HG2 LYS A 7 15.093 2.162 10.118 1.00 0.00 H ATOM 90 HG3 LYS A 7 15.398 2.756 11.748 1.00 0.00 H ATOM 91 HD2 LYS A 7 13.731 4.154 9.658 1.00 0.00 H ATOM 92 HD3 LYS A 7 13.098 3.199 10.995 1.00 0.00 H ATOM 93 HE2 LYS A 7 13.612 4.788 12.558 1.00 0.00 H ATOM 94 HE3 LYS A 7 14.964 5.428 11.626 1.00 0.00 H ATOM 95 HZ1 LYS A 7 13.483 7.026 10.991 1.00 0.00 H ATOM 96 N ARG A 8 16.129 6.852 9.472 1.00 0.00 N ATOM 97 CA ARG A 8 15.514 8.171 9.653 1.00 0.00 C ATOM 98 C ARG A 8 14.887 8.664 8.354 1.00 0.00 C ATOM 99 O ARG A 8 13.765 9.170 8.343 1.00 0.00 O ATOM 100 CB ARG A 8 16.543 9.185 10.174 1.00 0.00 C ATOM 101 CG ARG A 8 16.828 9.069 11.666 1.00 0.00 C ATOM 102 CD ARG A 8 17.368 7.696 12.050 1.00 0.00 C ATOM 103 NE ARG A 8 17.680 7.607 13.477 1.00 0.00 N ATOM 104 CZ ARG A 8 16.775 7.704 14.456 1.00 0.00 C ATOM 105 NH1 ARG A 8 15.478 7.808 14.174 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 17.168 7.673 15.724 1.00 0.00 N ATOM 107 H ARG A 8 17.066 6.727 9.722 1.00 0.00 H ATOM 108 HA ARG A 8 14.734 8.068 10.389 1.00 0.00 H ATOM 109 HB2 ARG A 8 17.473 9.041 9.644 1.00 0.00 H ATOM 110 HB3 ARG A 8 16.179 10.182 9.977 1.00 0.00 H ATOM 111 HG2 ARG A 8 17.557 9.816 11.940 1.00 0.00 H ATOM 112 HG3 ARG A 8 15.911 9.250 12.207 1.00 0.00 H ATOM 113 HD2 ARG A 8 16.628 6.949 11.805 1.00 0.00 H ATOM 114 HD3 ARG A 8 18.268 7.508 11.484 1.00 0.00 H ATOM 115 HE ARG A 8 18.621 7.490 13.722 1.00 0.00 H ATOM 116 HH11 ARG A 8 15.168 7.812 13.223 1.00 0.00 H ATOM 117 HH12 ARG A 8 14.810 7.886 14.915 1.00 0.00 H ATOM 118 HH21 ARG A 8 18.139 7.576 15.945 1.00 0.00 H ATOM 119 HH22 ARG A 8 16.495 7.752 16.459 1.00 0.00 H ATOM 120 N LYS A 9 15.614 8.491 7.263 1.00 0.00 N ATOM 121 CA LYS A 9 15.127 8.894 5.949 1.00 0.00 C ATOM 122 C LYS A 9 13.844 8.133 5.604 1.00 0.00 C ATOM 123 O LYS A 9 12.903 8.705 5.054 1.00 0.00 O ATOM 124 CB LYS A 9 16.220 8.652 4.895 1.00 0.00 C ATOM 125 CG LYS A 9 15.842 9.061 3.473 1.00 0.00 C ATOM 126 CD LYS A 9 14.996 8.004 2.774 1.00 0.00 C ATOM 127 CE LYS A 9 15.720 6.668 2.686 1.00 0.00 C ATOM 128 NZ LYS A 9 14.912 5.646 1.967 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.496 8.065 7.342 1.00 0.00 H ATOM 130 HA LYS A 9 14.904 9.948 5.987 1.00 0.00 H ATOM 131 HB2 LYS A 9 17.099 9.209 5.179 1.00 0.00 H ATOM 132 HB3 LYS A 9 16.464 7.598 4.889 1.00 0.00 H ATOM 133 HG2 LYS A 9 15.280 9.982 3.513 1.00 0.00 H ATOM 134 HG3 LYS A 9 16.747 9.217 2.905 1.00 0.00 H ATOM 135 HD2 LYS A 9 14.079 7.867 3.322 1.00 0.00 H ATOM 136 HD3 LYS A 9 14.772 8.345 1.773 1.00 0.00 H ATOM 137 HE2 LYS A 9 16.655 6.811 2.163 1.00 0.00 H ATOM 138 HE3 LYS A 9 15.920 6.316 3.688 1.00 0.00 H ATOM 139 HZ1 LYS A 9 15.536 4.922 1.557 1.00 0.00 H ATOM 140 HZ2 LYS A 9 14.367 6.092 1.202 1.00 0.00 H ATOM 141 HZ3 LYS A 9 14.251 5.187 2.626 1.00 0.00 H ATOM 142 N SER A 10 13.815 6.842 5.939 1.00 0.00 N ATOM 143 CA SER A 10 12.652 5.991 5.673 1.00 0.00 C ATOM 144 C SER A 10 11.441 6.387 6.527 1.00 0.00 C ATOM 145 O SER A 10 10.313 6.409 6.031 1.00 0.00 O ATOM 146 CB SER A 10 12.999 4.521 5.928 1.00 0.00 C ATOM 147 OG SER A 10 14.097 4.105 5.129 1.00 0.00 O ATOM 148 H SER A 10 14.596 6.449 6.380 1.00 0.00 H ATOM 149 HA SER A 10 12.392 6.110 4.634 1.00 0.00 H ATOM 150 HB2 SER A 10 13.256 4.390 6.966 1.00 0.00 H ATOM 151 HB3 SER A 10 12.145 3.907 5.692 1.00 0.00 H ATOM 152 HG SER A 10 14.781 3.738 5.693 1.00 0.00 H ATOM 153 N ASP A 11 11.677 6.682 7.814 1.00 0.00 N ATOM 154 CA ASP A 11 10.597 7.057 8.738 1.00 0.00 C ATOM 155 C ASP A 11 9.932 8.362 8.315 1.00 0.00 C ATOM 156 O ASP A 11 8.705 8.431 8.193 1.00 0.00 O ATOM 157 CB ASP A 11 11.122 7.210 10.173 1.00 0.00 C ATOM 158 CG ASP A 11 11.823 5.968 10.684 1.00 0.00 C ATOM 159 OD1 ASP A 11 11.239 4.885 10.730 1.00 0.00 O ATOM 160 H ASP A 11 12.594 6.636 8.150 1.00 0.00 H ATOM 161 HA ASP A 11 9.859 6.272 8.719 1.00 0.00 H ATOM 162 HB2 ASP A 11 11.823 8.030 10.204 1.00 0.00 H ATOM 163 HB3 ASP A 11 10.293 7.429 10.830 1.00 0.00 H ATOM 164 N ARG A 12 10.748 9.398 8.100 1.00 0.00 N ATOM 165 CA ARG A 12 10.236 10.708 7.695 1.00 0.00 C ATOM 166 C ARG A 12 9.431 10.607 6.407 1.00 0.00 C ATOM 167 O ARG A 12 8.290 11.070 6.343 1.00 0.00 O ATOM 168 CB ARG A 12 11.376 11.719 7.517 1.00 0.00 C ATOM 169 CG ARG A 12 12.074 12.100 8.814 1.00 0.00 C ATOM 170 CD ARG A 12 12.948 13.344 8.648 1.00 0.00 C ATOM 171 NE ARG A 12 12.200 14.501 8.136 1.00 0.00 N ATOM 172 CZ ARG A 12 11.191 15.106 8.781 1.00 0.00 C ATOM 173 NH1 ARG A 12 10.804 14.693 9.986 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 10.577 16.145 8.223 1.00 0.00 N ATOM 175 H ARG A 12 11.714 9.274 8.218 1.00 0.00 H ATOM 176 HA ARG A 12 9.582 11.057 8.479 1.00 0.00 H ATOM 177 HB2 ARG A 12 12.111 11.296 6.850 1.00 0.00 H ATOM 178 HB3 ARG A 12 10.976 12.618 7.072 1.00 0.00 H ATOM 179 HG2 ARG A 12 11.331 12.292 9.573 1.00 0.00 H ATOM 180 HG3 ARG A 12 12.701 11.276 9.126 1.00 0.00 H ATOM 181 HD2 ARG A 12 13.366 13.599 9.609 1.00 0.00 H ATOM 182 HD3 ARG A 12 13.749 13.115 7.960 1.00 0.00 H ATOM 183 HE ARG A 12 12.464 14.850 7.259 1.00 0.00 H ATOM 184 HH11 ARG A 12 11.267 13.926 10.426 1.00 0.00 H ATOM 185 HH12 ARG A 12 10.045 15.151 10.451 1.00 0.00 H ATOM 186 HH21 ARG A 12 10.870 16.478 7.325 1.00 0.00 H ATOM 187 HH22 ARG A 12 9.824 16.596 8.701 1.00 0.00 H ATOM 188 N LYS A 13 10.026 9.984 5.390 1.00 0.00 N ATOM 189 CA LYS A 13 9.365 9.805 4.101 1.00 0.00 C ATOM 190 C LYS A 13 8.031 9.076 4.251 1.00 0.00 C ATOM 191 O LYS A 13 7.063 9.420 3.585 1.00 0.00 O ATOM 192 CB LYS A 13 10.289 9.074 3.126 1.00 0.00 C ATOM 193 CG LYS A 13 11.115 10.011 2.256 1.00 0.00 C ATOM 194 CD LYS A 13 12.016 10.917 3.084 1.00 0.00 C ATOM 195 CE LYS A 13 12.790 11.886 2.204 1.00 0.00 C ATOM 196 NZ LYS A 13 11.888 12.830 1.484 1.00 0.00 N1+ ATOM 197 H LYS A 13 10.931 9.629 5.514 1.00 0.00 H ATOM 198 HA LYS A 13 9.165 10.791 3.706 1.00 0.00 H ATOM 199 HB2 LYS A 13 10.968 8.455 3.692 1.00 0.00 H ATOM 200 HB3 LYS A 13 9.694 8.446 2.480 1.00 0.00 H ATOM 201 HG2 LYS A 13 11.729 9.420 1.595 1.00 0.00 H ATOM 202 HG3 LYS A 13 10.444 10.625 1.671 1.00 0.00 H ATOM 203 HD2 LYS A 13 11.406 11.483 3.772 1.00 0.00 H ATOM 204 HD3 LYS A 13 12.715 10.308 3.635 1.00 0.00 H ATOM 205 HE2 LYS A 13 13.469 12.453 2.824 1.00 0.00 H ATOM 206 HE3 LYS A 13 13.356 11.320 1.479 1.00 0.00 H ATOM 207 HZ1 LYS A 13 12.435 13.634 1.115 1.00 0.00 H ATOM 208 HZ2 LYS A 13 11.154 13.191 2.129 1.00 0.00 H ATOM 209 HZ3 LYS A 13 11.426 12.344 0.689 1.00 0.00 H ATOM 210 N LYS A 14 7.979 8.082 5.136 1.00 0.00 N ATOM 211 CA LYS A 14 6.741 7.331 5.372 1.00 0.00 C ATOM 212 C LYS A 14 5.600 8.257 5.790 1.00 0.00 C ATOM 213 O LYS A 14 4.499 8.188 5.246 1.00 0.00 O ATOM 214 CB LYS A 14 6.955 6.282 6.469 1.00 0.00 C ATOM 215 CG LYS A 14 7.008 4.847 5.967 1.00 0.00 C ATOM 216 CD LYS A 14 5.620 4.219 5.853 1.00 0.00 C ATOM 217 CE LYS A 14 4.912 4.612 4.563 1.00 0.00 C ATOM 218 NZ LYS A 14 3.931 5.676 4.764 1.00 0.00 N1+ ATOM 219 H LYS A 14 8.782 7.854 5.649 1.00 0.00 H ATOM 220 HA LYS A 14 6.471 6.835 4.454 1.00 0.00 H ATOM 221 HB2 LYS A 14 7.884 6.494 6.975 1.00 0.00 H ATOM 222 HB3 LYS A 14 6.146 6.359 7.182 1.00 0.00 H ATOM 223 HG2 LYS A 14 7.469 4.840 4.992 1.00 0.00 H ATOM 224 HG3 LYS A 14 7.604 4.261 6.652 1.00 0.00 H ATOM 225 HD2 LYS A 14 5.718 3.145 5.881 1.00 0.00 H ATOM 226 HD3 LYS A 14 5.021 4.547 6.692 1.00 0.00 H ATOM 227 HE2 LYS A 14 5.653 4.951 3.852 1.00 0.00 H ATOM 228 HE3 LYS A 14 4.407 3.742 4.167 1.00 0.00 H ATOM 229 HZ1 LYS A 14 4.139 6.368 5.426 1.00 0.00 H ATOM 230 N LYS A 15 5.867 9.108 6.774 1.00 0.00 N ATOM 231 CA LYS A 15 4.859 10.031 7.297 1.00 0.00 C ATOM 232 C LYS A 15 4.346 11.005 6.237 1.00 0.00 C ATOM 233 O LYS A 15 3.140 11.238 6.142 1.00 0.00 O ATOM 234 CB LYS A 15 5.423 10.793 8.497 1.00 0.00 C ATOM 235 CG LYS A 15 5.844 9.881 9.644 1.00 0.00 C ATOM 236 CD LYS A 15 6.585 10.638 10.737 1.00 0.00 C ATOM 237 CE LYS A 15 7.862 11.270 10.206 1.00 0.00 C ATOM 238 NZ LYS A 15 8.717 11.816 11.295 1.00 0.00 N1+ ATOM 239 H LYS A 15 6.761 9.107 7.173 1.00 0.00 H ATOM 240 HA LYS A 15 4.028 9.435 7.634 1.00 0.00 H ATOM 241 HB2 LYS A 15 6.285 11.361 8.177 1.00 0.00 H ATOM 242 HB3 LYS A 15 4.669 11.473 8.863 1.00 0.00 H ATOM 243 HG2 LYS A 15 4.962 9.428 10.072 1.00 0.00 H ATOM 244 HG3 LYS A 15 6.491 9.107 9.255 1.00 0.00 H ATOM 245 HD2 LYS A 15 5.943 11.416 11.124 1.00 0.00 H ATOM 246 HD3 LYS A 15 6.839 9.949 11.532 1.00 0.00 H ATOM 247 HE2 LYS A 15 8.419 10.519 9.666 1.00 0.00 H ATOM 248 HE3 LYS A 15 7.596 12.072 9.532 1.00 0.00 H ATOM 249 HZ1 LYS A 15 9.214 11.042 11.783 1.00 0.00 H ATOM 250 HZ2 LYS A 15 8.136 12.330 11.987 1.00 0.00 H ATOM 251 HZ3 LYS A 15 9.424 12.470 10.900 1.00 0.00 H ATOM 252 N ASN A 16 5.251 11.577 5.446 1.00 0.00 N ATOM 253 CA ASN A 16 4.858 12.529 4.401 1.00 0.00 C ATOM 254 C ASN A 16 4.325 11.828 3.144 1.00 0.00 C ATOM 255 O ASN A 16 3.402 12.329 2.499 1.00 0.00 O ATOM 256 CB ASN A 16 6.011 13.480 4.039 1.00 0.00 C ATOM 257 CG ASN A 16 7.323 12.773 3.741 1.00 0.00 C ATOM 258 OD1 ASN A 16 7.414 11.966 2.815 1.00 0.00 O ATOM 259 ND2 ASN A 16 8.353 13.087 4.523 1.00 0.00 N ATOM 260 H ASN A 16 6.199 11.354 5.568 1.00 0.00 H ATOM 261 HA ASN A 16 4.053 13.122 4.810 1.00 0.00 H ATOM 262 HB2 ASN A 16 5.734 14.045 3.162 1.00 0.00 H ATOM 263 HB3 ASN A 16 6.170 14.165 4.858 1.00 0.00 H ATOM 264 HD21 ASN A 16 8.211 13.745 5.235 1.00 0.00 H ATOM 265 HD22 ASN A 16 9.213 12.650 4.353 1.00 0.00 H ATOM 266 N GLN A 17 4.914 10.681 2.796 1.00 0.00 N ATOM 267 CA GLN A 17 4.500 9.924 1.611 1.00 0.00 C ATOM 268 C GLN A 17 3.121 9.292 1.818 1.00 0.00 C ATOM 269 O GLN A 17 2.214 9.487 1.005 1.00 0.00 O ATOM 270 CB GLN A 17 5.546 8.844 1.281 1.00 0.00 C ATOM 271 CG GLN A 17 5.353 8.171 -0.071 1.00 0.00 C ATOM 272 CD GLN A 17 4.049 7.402 -0.174 1.00 0.00 C ATOM 273 OE1 GLN A 17 3.828 6.431 0.553 1.00 0.00 O ATOM 274 NE2 GLN A 17 3.167 7.839 -1.068 1.00 0.00 N ATOM 275 H GLN A 17 5.648 10.337 3.347 1.00 0.00 H ATOM 276 HA GLN A 17 4.440 10.614 0.786 1.00 0.00 H ATOM 277 HB2 GLN A 17 6.526 9.294 1.292 1.00 0.00 H ATOM 278 HB3 GLN A 17 5.506 8.081 2.045 1.00 0.00 H ATOM 279 HG2 GLN A 17 5.367 8.929 -0.843 1.00 0.00 H ATOM 280 HG3 GLN A 17 6.173 7.482 -0.232 1.00 0.00 H ATOM 281 HE21 GLN A 17 3.401 8.625 -1.607 1.00 0.00 H ATOM 282 HE22 GLN A 17 2.315 7.362 -1.150 1.00 0.00 H ATOM 283 N ASP A 18 2.973 8.547 2.913 1.00 0.00 N ATOM 284 CA ASP A 18 1.705 7.891 3.241 1.00 0.00 C ATOM 285 C ASP A 18 0.617 8.918 3.560 1.00 0.00 C ATOM 286 O ASP A 18 -0.499 8.834 3.044 1.00 0.00 O ATOM 287 CB ASP A 18 1.883 6.937 4.427 1.00 0.00 C ATOM 288 CG ASP A 18 2.783 5.757 4.093 1.00 0.00 C ATOM 289 OD1 ASP A 18 2.448 4.937 3.238 1.00 0.00 O ATOM 290 H ASP A 18 3.733 8.441 3.520 1.00 0.00 H ATOM 291 HA ASP A 18 1.399 7.320 2.378 1.00 0.00 H ATOM 292 HB2 ASP A 18 2.318 7.477 5.257 1.00 0.00 H ATOM 293 HB3 ASP A 18 0.916 6.556 4.719 1.00 0.00 H HETATM 294 N NH2 A 19 0.938 9.893 4.410 1.00 0.00 N HETATM 295 HN1 NH2 A 19 1.844 9.904 4.787 1.00 0.00 H HETATM 296 HN2 NH2 A 19 0.254 10.561 4.626 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 8 ATOM 1 N PHE A 1 17.895 13.769 13.564 1.00 0.00 N ATOM 2 CA PHE A 1 18.552 14.202 14.793 1.00 0.00 C ATOM 3 C PHE A 1 19.637 13.208 15.207 1.00 0.00 C ATOM 4 O PHE A 1 20.797 13.583 15.390 1.00 0.00 O ATOM 5 CB PHE A 1 17.528 14.352 15.928 1.00 0.00 C ATOM 6 CG PHE A 1 16.508 15.442 15.716 1.00 0.00 C ATOM 7 CD1 PHE A 1 15.775 15.521 14.541 1.00 0.00 C ATOM 8 CD2 PHE A 1 16.278 16.386 16.706 1.00 0.00 C ATOM 9 CE1 PHE A 1 14.836 16.519 14.357 1.00 0.00 C ATOM 10 CE2 PHE A 1 15.340 17.385 16.527 1.00 0.00 C ATOM 11 CZ PHE A 1 14.620 17.452 15.351 1.00 0.00 C ATOM 12 H1 PHE A 1 18.129 14.204 12.717 1.00 0.00 H ATOM 13 HA PHE A 1 19.011 15.162 14.606 1.00 0.00 H ATOM 14 HB2 PHE A 1 16.994 13.421 16.041 1.00 0.00 H ATOM 15 HB3 PHE A 1 18.056 14.567 16.847 1.00 0.00 H ATOM 16 HD1 PHE A 1 15.940 14.792 13.762 1.00 0.00 H ATOM 17 HD2 PHE A 1 16.842 16.338 17.625 1.00 0.00 H ATOM 18 HE1 PHE A 1 14.273 16.570 13.437 1.00 0.00 H ATOM 19 HE2 PHE A 1 15.170 18.113 17.307 1.00 0.00 H ATOM 20 HZ PHE A 1 13.885 18.232 15.210 1.00 0.00 H ATOM 21 N GLY A 2 19.245 11.939 15.351 1.00 0.00 N ATOM 22 CA GLY A 2 20.184 10.899 15.741 1.00 0.00 C ATOM 23 C GLY A 2 21.078 10.450 14.597 1.00 0.00 C ATOM 24 O GLY A 2 20.701 10.555 13.429 1.00 0.00 O ATOM 25 H GLY A 2 18.307 11.708 15.190 1.00 0.00 H ATOM 26 HA2 GLY A 2 20.804 11.273 16.542 1.00 0.00 H ATOM 27 HA3 GLY A 2 19.628 10.047 16.103 1.00 0.00 H ATOM 28 N GLY A 3 22.265 9.947 14.943 1.00 0.00 N ATOM 29 CA GLY A 3 23.217 9.481 13.942 1.00 0.00 C ATOM 30 C GLY A 3 22.646 8.418 13.012 1.00 0.00 C ATOM 31 O GLY A 3 23.026 8.356 11.844 1.00 0.00 O ATOM 32 H GLY A 3 22.501 9.892 15.893 1.00 0.00 H ATOM 33 HA2 GLY A 3 23.536 10.325 13.349 1.00 0.00 H ATOM 34 HA3 GLY A 3 24.077 9.070 14.449 1.00 0.00 H ATOM 35 N PHE A 4 21.744 7.576 13.538 1.00 0.00 N ATOM 36 CA PHE A 4 21.121 6.495 12.756 1.00 0.00 C ATOM 37 C PHE A 4 20.509 6.992 11.437 1.00 0.00 C ATOM 38 O PHE A 4 19.330 7.339 11.371 1.00 0.00 O ATOM 39 CB PHE A 4 20.057 5.754 13.593 1.00 0.00 C ATOM 40 CG PHE A 4 19.230 6.628 14.511 1.00 0.00 C ATOM 41 CD1 PHE A 4 18.793 7.886 14.118 1.00 0.00 C ATOM 42 CD2 PHE A 4 18.881 6.174 15.776 1.00 0.00 C ATOM 43 CE1 PHE A 4 18.032 8.670 14.963 1.00 0.00 C ATOM 44 CE2 PHE A 4 18.119 6.956 16.626 1.00 0.00 C ATOM 45 CZ PHE A 4 17.695 8.205 16.218 1.00 0.00 C ATOM 46 H PHE A 4 21.498 7.680 14.481 1.00 0.00 H ATOM 47 HA PHE A 4 21.904 5.792 12.512 1.00 0.00 H ATOM 48 HB2 PHE A 4 19.374 5.257 12.923 1.00 0.00 H ATOM 49 HB3 PHE A 4 20.552 5.011 14.202 1.00 0.00 H ATOM 50 HD1 PHE A 4 19.057 8.258 13.143 1.00 0.00 H ATOM 51 HD2 PHE A 4 19.211 5.199 16.098 1.00 0.00 H ATOM 52 HE1 PHE A 4 17.702 9.646 14.643 1.00 0.00 H ATOM 53 HE2 PHE A 4 17.857 6.591 17.608 1.00 0.00 H ATOM 54 HZ PHE A 4 17.099 8.817 16.879 1.00 0.00 H ATOM 55 N THR A 5 21.330 7.011 10.386 1.00 0.00 N ATOM 56 CA THR A 5 20.893 7.458 9.061 1.00 0.00 C ATOM 57 C THR A 5 19.957 6.451 8.381 1.00 0.00 C ATOM 58 O THR A 5 19.168 6.828 7.513 1.00 0.00 O ATOM 59 CB THR A 5 22.098 7.739 8.133 1.00 0.00 C ATOM 60 OG1 THR A 5 21.638 8.215 6.861 1.00 0.00 O ATOM 61 CG2 THR A 5 22.950 6.489 7.931 1.00 0.00 C ATOM 62 H THR A 5 22.256 6.715 10.503 1.00 0.00 H ATOM 63 HA THR A 5 20.356 8.385 9.193 1.00 0.00 H ATOM 64 HB THR A 5 22.712 8.502 8.591 1.00 0.00 H ATOM 65 HG1 THR A 5 21.372 9.134 6.939 1.00 0.00 H ATOM 66 HG21 THR A 5 23.764 6.490 8.641 1.00 0.00 H ATOM 67 HG22 THR A 5 23.349 6.484 6.927 1.00 0.00 H ATOM 68 HG23 THR A 5 22.344 5.609 8.080 1.00 0.00 H ATOM 69 N GLY A 6 20.064 5.173 8.762 1.00 0.00 N ATOM 70 CA GLY A 6 19.235 4.133 8.164 1.00 0.00 C ATOM 71 C GLY A 6 17.759 4.492 8.097 1.00 0.00 C ATOM 72 O GLY A 6 17.152 4.417 7.027 1.00 0.00 O ATOM 73 H GLY A 6 20.722 4.930 9.446 1.00 0.00 H ATOM 74 HA2 GLY A 6 19.590 3.942 7.161 1.00 0.00 H ATOM 75 HA3 GLY A 6 19.346 3.228 8.744 1.00 0.00 H ATOM 76 N LYS A 7 17.178 4.883 9.233 1.00 0.00 N ATOM 77 CA LYS A 7 15.761 5.253 9.285 1.00 0.00 C ATOM 78 C LYS A 7 15.551 6.764 9.148 1.00 0.00 C ATOM 79 O LYS A 7 14.632 7.325 9.751 1.00 0.00 O ATOM 80 CB LYS A 7 15.130 4.753 10.591 1.00 0.00 C ATOM 81 CG LYS A 7 14.825 3.264 10.593 1.00 0.00 C ATOM 82 CD LYS A 7 13.829 2.879 9.503 1.00 0.00 C ATOM 83 CE LYS A 7 12.463 3.531 9.703 1.00 0.00 C ATOM 84 NZ LYS A 7 12.439 4.941 9.302 1.00 0.00 N1+ ATOM 85 H LYS A 7 17.712 4.923 10.053 1.00 0.00 H ATOM 86 HA LYS A 7 15.268 4.766 8.457 1.00 0.00 H ATOM 87 HB2 LYS A 7 15.809 4.957 11.405 1.00 0.00 H ATOM 88 HB3 LYS A 7 14.208 5.288 10.764 1.00 0.00 H ATOM 89 HG2 LYS A 7 15.744 2.721 10.431 1.00 0.00 H ATOM 90 HG3 LYS A 7 14.412 2.994 11.555 1.00 0.00 H ATOM 91 HD2 LYS A 7 14.223 3.187 8.547 1.00 0.00 H ATOM 92 HD3 LYS A 7 13.707 1.805 9.510 1.00 0.00 H ATOM 93 HE2 LYS A 7 11.737 2.991 9.116 1.00 0.00 H ATOM 94 HE3 LYS A 7 12.199 3.461 10.749 1.00 0.00 H ATOM 95 HZ1 LYS A 7 13.291 5.367 9.084 1.00 0.00 H ATOM 96 N ARG A 8 16.392 7.424 8.351 1.00 0.00 N ATOM 97 CA ARG A 8 16.269 8.864 8.147 1.00 0.00 C ATOM 98 C ARG A 8 15.531 9.201 6.853 1.00 0.00 C ATOM 99 O ARG A 8 14.494 9.855 6.887 1.00 0.00 O ATOM 100 CB ARG A 8 17.647 9.531 8.156 1.00 0.00 C ATOM 101 CG ARG A 8 18.274 9.616 9.538 1.00 0.00 C ATOM 102 CD ARG A 8 17.516 10.579 10.443 1.00 0.00 C ATOM 103 NE ARG A 8 17.589 11.960 9.964 1.00 0.00 N ATOM 104 CZ ARG A 8 17.039 13.002 10.593 1.00 0.00 C ATOM 105 NH1 ARG A 8 16.364 12.832 11.727 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 17.164 14.224 10.082 1.00 0.00 N ATOM 107 H ARG A 8 17.101 6.933 7.886 1.00 0.00 H ATOM 108 HA ARG A 8 15.695 9.257 8.970 1.00 0.00 H ATOM 109 HB2 ARG A 8 18.312 8.967 7.517 1.00 0.00 H ATOM 110 HB3 ARG A 8 17.552 10.533 7.765 1.00 0.00 H ATOM 111 HG2 ARG A 8 18.263 8.635 9.986 1.00 0.00 H ATOM 112 HG3 ARG A 8 19.294 9.956 9.439 1.00 0.00 H ATOM 113 HD2 ARG A 8 16.480 10.276 10.481 1.00 0.00 H ATOM 114 HD3 ARG A 8 17.941 10.527 11.435 1.00 0.00 H ATOM 115 HE ARG A 8 18.078 12.122 9.129 1.00 0.00 H ATOM 116 HH11 ARG A 8 16.261 11.917 12.118 1.00 0.00 H ATOM 117 HH12 ARG A 8 15.958 13.621 12.190 1.00 0.00 H ATOM 118 HH21 ARG A 8 17.670 14.361 9.230 1.00 0.00 H ATOM 119 HH22 ARG A 8 16.755 15.007 10.552 1.00 0.00 H ATOM 120 N LYS A 9 16.085 8.772 5.718 1.00 0.00 N ATOM 121 CA LYS A 9 15.486 9.060 4.407 1.00 0.00 C ATOM 122 C LYS A 9 14.181 8.294 4.168 1.00 0.00 C ATOM 123 O LYS A 9 13.191 8.879 3.718 1.00 0.00 O ATOM 124 CB LYS A 9 16.486 8.768 3.278 1.00 0.00 C ATOM 125 CG LYS A 9 16.978 7.327 3.229 1.00 0.00 C ATOM 126 CD LYS A 9 17.924 7.098 2.058 1.00 0.00 C ATOM 127 CE LYS A 9 19.173 7.960 2.165 1.00 0.00 C ATOM 128 NZ LYS A 9 20.086 7.769 1.003 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.924 8.268 5.759 1.00 0.00 H ATOM 130 HA LYS A 9 15.259 10.113 4.390 1.00 0.00 H ATOM 131 HB2 LYS A 9 16.018 8.995 2.333 1.00 0.00 H ATOM 132 HB3 LYS A 9 17.345 9.413 3.404 1.00 0.00 H ATOM 133 HG2 LYS A 9 17.499 7.103 4.147 1.00 0.00 H ATOM 134 HG3 LYS A 9 16.128 6.670 3.125 1.00 0.00 H ATOM 135 HD2 LYS A 9 18.218 6.060 2.044 1.00 0.00 H ATOM 136 HD3 LYS A 9 17.409 7.340 1.140 1.00 0.00 H ATOM 137 HE2 LYS A 9 18.877 8.998 2.209 1.00 0.00 H ATOM 138 HE3 LYS A 9 19.699 7.699 3.071 1.00 0.00 H ATOM 139 HZ1 LYS A 9 20.896 8.416 1.074 1.00 0.00 H ATOM 140 HZ2 LYS A 9 19.580 7.961 0.114 1.00 0.00 H ATOM 141 HZ3 LYS A 9 20.439 6.790 0.982 1.00 0.00 H ATOM 142 N SER A 10 14.182 6.992 4.454 1.00 0.00 N ATOM 143 CA SER A 10 12.996 6.154 4.252 1.00 0.00 C ATOM 144 C SER A 10 11.817 6.646 5.090 1.00 0.00 C ATOM 145 O SER A 10 10.717 6.852 4.572 1.00 0.00 O ATOM 146 CB SER A 10 13.312 4.693 4.594 1.00 0.00 C ATOM 147 OG SER A 10 14.333 4.181 3.754 1.00 0.00 O ATOM 148 H SER A 10 15.002 6.583 4.800 1.00 0.00 H ATOM 149 HA SER A 10 12.725 6.215 3.211 1.00 0.00 H ATOM 150 HB2 SER A 10 13.644 4.630 5.620 1.00 0.00 H ATOM 151 HB3 SER A 10 12.422 4.094 4.467 1.00 0.00 H ATOM 152 HG SER A 10 13.938 3.656 3.054 1.00 0.00 H ATOM 153 N ASP A 11 12.058 6.835 6.385 1.00 0.00 N ATOM 154 CA ASP A 11 11.027 7.307 7.305 1.00 0.00 C ATOM 155 C ASP A 11 10.661 8.774 7.048 1.00 0.00 C ATOM 156 O ASP A 11 9.519 9.175 7.265 1.00 0.00 O ATOM 157 CB ASP A 11 11.484 7.103 8.753 1.00 0.00 C ATOM 158 CG ASP A 11 11.322 5.660 9.201 1.00 0.00 C ATOM 159 OD1 ASP A 11 10.202 5.194 9.430 1.00 0.00 O ATOM 160 H ASP A 11 12.958 6.655 6.730 1.00 0.00 H ATOM 161 HA ASP A 11 10.147 6.706 7.135 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.526 7.371 8.835 1.00 0.00 H ATOM 163 HB3 ASP A 11 10.899 7.734 9.405 1.00 0.00 H ATOM 164 N ARG A 12 11.632 9.570 6.583 1.00 0.00 N ATOM 165 CA ARG A 12 11.398 10.989 6.292 1.00 0.00 C ATOM 166 C ARG A 12 10.288 11.167 5.253 1.00 0.00 C ATOM 167 O ARG A 12 9.378 11.976 5.440 1.00 0.00 O ATOM 168 CB ARG A 12 12.691 11.647 5.796 1.00 0.00 C ATOM 169 CG ARG A 12 12.531 13.090 5.347 1.00 0.00 C ATOM 170 CD ARG A 12 13.841 13.638 4.803 1.00 0.00 C ATOM 171 NE ARG A 12 13.711 15.009 4.308 1.00 0.00 N ATOM 172 CZ ARG A 12 14.706 15.689 3.731 1.00 0.00 C ATOM 173 NH1 ARG A 12 15.903 15.127 3.569 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 14.502 16.934 3.312 1.00 0.00 N ATOM 175 H ARG A 12 12.522 9.194 6.426 1.00 0.00 H ATOM 176 HA ARG A 12 11.092 11.467 7.209 1.00 0.00 H ATOM 177 HB2 ARG A 12 13.414 11.627 6.595 1.00 0.00 H ATOM 178 HB3 ARG A 12 13.073 11.074 4.964 1.00 0.00 H ATOM 179 HG2 ARG A 12 11.782 13.138 4.572 1.00 0.00 H ATOM 180 HG3 ARG A 12 12.222 13.689 6.191 1.00 0.00 H ATOM 181 HD2 ARG A 12 14.577 13.621 5.593 1.00 0.00 H ATOM 182 HD3 ARG A 12 14.171 13.004 3.994 1.00 0.00 H ATOM 183 HE ARG A 12 12.841 15.447 4.412 1.00 0.00 H ATOM 184 HH11 ARG A 12 16.064 14.191 3.878 1.00 0.00 H ATOM 185 HH12 ARG A 12 16.642 15.642 3.133 1.00 0.00 H ATOM 186 HH21 ARG A 12 13.605 17.361 3.428 1.00 0.00 H ATOM 187 HH22 ARG A 12 15.245 17.444 2.878 1.00 0.00 H ATOM 188 N LYS A 13 10.372 10.402 4.163 1.00 0.00 N ATOM 189 CA LYS A 13 9.376 10.466 3.090 1.00 0.00 C ATOM 190 C LYS A 13 8.046 9.864 3.537 1.00 0.00 C ATOM 191 O LYS A 13 6.980 10.444 3.308 1.00 0.00 O ATOM 192 CB LYS A 13 9.888 9.738 1.846 1.00 0.00 C ATOM 193 CG LYS A 13 11.157 10.346 1.270 1.00 0.00 C ATOM 194 CD LYS A 13 11.632 9.599 0.032 1.00 0.00 C ATOM 195 CE LYS A 13 10.613 9.671 -1.096 1.00 0.00 C ATOM 196 NZ LYS A 13 10.340 11.076 -1.519 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.122 9.778 4.079 1.00 0.00 H ATOM 198 HA LYS A 13 9.220 11.505 2.847 1.00 0.00 H ATOM 199 HB2 LYS A 13 10.091 8.708 2.103 1.00 0.00 H ATOM 200 HB3 LYS A 13 9.122 9.767 1.084 1.00 0.00 H ATOM 201 HG2 LYS A 13 10.961 11.374 1.005 1.00 0.00 H ATOM 202 HG3 LYS A 13 11.933 10.308 2.022 1.00 0.00 H ATOM 203 HD2 LYS A 13 12.558 10.039 -0.306 1.00 0.00 H ATOM 204 HD3 LYS A 13 11.799 8.563 0.291 1.00 0.00 H ATOM 205 HE2 LYS A 13 10.993 9.119 -1.942 1.00 0.00 H ATOM 206 HE3 LYS A 13 9.691 9.221 -0.760 1.00 0.00 H ATOM 207 HZ1 LYS A 13 9.396 11.369 -1.194 1.00 0.00 H ATOM 208 HZ2 LYS A 13 10.377 11.151 -2.555 1.00 0.00 H ATOM 209 HZ3 LYS A 13 11.050 11.719 -1.111 1.00 0.00 H ATOM 210 N LYS A 14 8.117 8.697 4.177 1.00 0.00 N ATOM 211 CA LYS A 14 6.921 8.013 4.660 1.00 0.00 C ATOM 212 C LYS A 14 6.245 8.767 5.806 1.00 0.00 C ATOM 213 O LYS A 14 5.088 8.497 6.120 1.00 0.00 O ATOM 214 CB LYS A 14 7.247 6.591 5.109 1.00 0.00 C ATOM 215 CG LYS A 14 7.527 5.634 3.962 1.00 0.00 C ATOM 216 CD LYS A 14 7.377 4.181 4.392 1.00 0.00 C ATOM 217 CE LYS A 14 5.912 3.754 4.449 1.00 0.00 C ATOM 218 NZ LYS A 14 5.128 4.546 5.399 1.00 0.00 N1+ ATOM 219 H LYS A 14 8.995 8.290 4.328 1.00 0.00 H ATOM 220 HA LYS A 14 6.227 7.959 3.835 1.00 0.00 H ATOM 221 HB2 LYS A 14 8.121 6.620 5.745 1.00 0.00 H ATOM 222 HB3 LYS A 14 6.416 6.211 5.676 1.00 0.00 H ATOM 223 HG2 LYS A 14 6.829 5.834 3.161 1.00 0.00 H ATOM 224 HG3 LYS A 14 8.536 5.794 3.610 1.00 0.00 H ATOM 225 HD2 LYS A 14 7.896 3.552 3.686 1.00 0.00 H ATOM 226 HD3 LYS A 14 7.815 4.062 5.372 1.00 0.00 H ATOM 227 HE2 LYS A 14 5.482 3.865 3.464 1.00 0.00 H ATOM 228 HE3 LYS A 14 5.868 2.715 4.740 1.00 0.00 H ATOM 229 HZ1 LYS A 14 5.534 4.737 6.271 1.00 0.00 H ATOM 230 N LYS A 15 6.959 9.705 6.433 1.00 0.00 N ATOM 231 CA LYS A 15 6.394 10.474 7.539 1.00 0.00 C ATOM 232 C LYS A 15 5.087 11.127 7.095 1.00 0.00 C ATOM 233 O LYS A 15 4.066 11.029 7.779 1.00 0.00 O ATOM 234 CB LYS A 15 7.391 11.538 8.017 1.00 0.00 C ATOM 235 CG LYS A 15 7.021 12.180 9.347 1.00 0.00 C ATOM 236 CD LYS A 15 7.049 11.165 10.481 1.00 0.00 C ATOM 237 CE LYS A 15 6.691 11.802 11.815 1.00 0.00 C ATOM 238 NZ LYS A 15 6.734 10.814 12.930 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.878 9.884 6.147 1.00 0.00 H ATOM 240 HA LYS A 15 6.187 9.792 8.348 1.00 0.00 H ATOM 241 HB2 LYS A 15 8.364 11.080 8.124 1.00 0.00 H ATOM 242 HB3 LYS A 15 7.453 12.318 7.271 1.00 0.00 H ATOM 243 HG2 LYS A 15 7.727 12.967 9.565 1.00 0.00 H ATOM 244 HG3 LYS A 15 6.027 12.596 9.270 1.00 0.00 H ATOM 245 HD2 LYS A 15 6.339 10.381 10.267 1.00 0.00 H ATOM 246 HD3 LYS A 15 8.042 10.745 10.549 1.00 0.00 H ATOM 247 HE2 LYS A 15 7.394 12.595 12.021 1.00 0.00 H ATOM 248 HE3 LYS A 15 5.694 12.211 11.748 1.00 0.00 H ATOM 249 HZ1 LYS A 15 7.679 10.383 12.992 1.00 0.00 H ATOM 250 HZ2 LYS A 15 6.033 10.063 12.771 1.00 0.00 H ATOM 251 HZ3 LYS A 15 6.519 11.286 13.833 1.00 0.00 H ATOM 252 N ASN A 16 5.129 11.767 5.926 1.00 0.00 N ATOM 253 CA ASN A 16 3.952 12.419 5.355 1.00 0.00 C ATOM 254 C ASN A 16 3.092 11.419 4.573 1.00 0.00 C ATOM 255 O ASN A 16 1.861 11.500 4.604 1.00 0.00 O ATOM 256 CB ASN A 16 4.365 13.598 4.460 1.00 0.00 C ATOM 257 CG ASN A 16 5.294 13.191 3.327 1.00 0.00 C ATOM 258 OD1 ASN A 16 4.904 12.460 2.418 1.00 0.00 O ATOM 259 ND2 ASN A 16 6.537 13.661 3.380 1.00 0.00 N ATOM 260 H ASN A 16 5.972 11.782 5.427 1.00 0.00 H ATOM 261 HA ASN A 16 3.364 12.801 6.175 1.00 0.00 H ATOM 262 HB2 ASN A 16 3.480 14.039 4.027 1.00 0.00 H ATOM 263 HB3 ASN A 16 4.867 14.339 5.065 1.00 0.00 H ATOM 264 HD21 ASN A 16 6.785 14.235 4.135 1.00 0.00 H ATOM 265 HD22 ASN A 16 7.156 13.412 2.663 1.00 0.00 H ATOM 266 N GLN A 17 3.743 10.480 3.873 1.00 0.00 N ATOM 267 CA GLN A 17 3.027 9.470 3.088 1.00 0.00 C ATOM 268 C GLN A 17 2.218 8.542 3.993 1.00 0.00 C ATOM 269 O GLN A 17 0.988 8.527 3.936 1.00 0.00 O ATOM 270 CB GLN A 17 4.008 8.652 2.240 1.00 0.00 C ATOM 271 CG GLN A 17 4.738 9.470 1.186 1.00 0.00 C ATOM 272 CD GLN A 17 5.801 8.671 0.453 1.00 0.00 C ATOM 273 OE1 GLN A 17 6.751 8.176 1.061 1.00 0.00 O ATOM 274 NE2 GLN A 17 5.646 8.541 -0.861 1.00 0.00 N ATOM 275 H GLN A 17 4.723 10.467 3.888 1.00 0.00 H ATOM 276 HA GLN A 17 2.346 9.988 2.431 1.00 0.00 H ATOM 277 HB2 GLN A 17 4.745 8.208 2.893 1.00 0.00 H ATOM 278 HB3 GLN A 17 3.463 7.866 1.740 1.00 0.00 H ATOM 279 HG2 GLN A 17 4.018 9.826 0.463 1.00 0.00 H ATOM 280 HG3 GLN A 17 5.210 10.314 1.666 1.00 0.00 H ATOM 281 HE21 GLN A 17 4.867 8.962 -1.282 1.00 0.00 H ATOM 282 HE22 GLN A 17 6.319 8.028 -1.357 1.00 0.00 H ATOM 283 N ASP A 18 2.916 7.782 4.836 1.00 0.00 N ATOM 284 CA ASP A 18 2.261 6.862 5.765 1.00 0.00 C ATOM 285 C ASP A 18 1.661 7.623 6.951 1.00 0.00 C ATOM 286 O ASP A 18 0.586 7.276 7.441 1.00 0.00 O ATOM 287 CB ASP A 18 3.239 5.791 6.272 1.00 0.00 C ATOM 288 CG ASP A 18 3.897 5.000 5.151 1.00 0.00 C ATOM 289 OD1 ASP A 18 3.299 4.780 4.096 1.00 0.00 O ATOM 290 H ASP A 18 3.893 7.847 4.840 1.00 0.00 H ATOM 291 HA ASP A 18 1.458 6.375 5.230 1.00 0.00 H ATOM 292 HB2 ASP A 18 4.016 6.272 6.848 1.00 0.00 H ATOM 293 HB3 ASP A 18 2.705 5.100 6.908 1.00 0.00 H HETATM 294 N NH2 A 19 2.354 8.665 7.416 1.00 0.00 N HETATM 295 HN1 NH2 A 19 3.206 8.894 6.984 1.00 0.00 H HETATM 296 HN2 NH2 A 19 1.983 9.164 8.174 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 9 ATOM 1 N PHE A 1 27.655 -1.697 4.251 1.00 0.00 N ATOM 2 CA PHE A 1 27.444 -0.359 3.702 1.00 0.00 C ATOM 3 C PHE A 1 26.452 0.447 4.544 1.00 0.00 C ATOM 4 O PHE A 1 26.584 1.667 4.660 1.00 0.00 O ATOM 5 CB PHE A 1 26.978 -0.435 2.240 1.00 0.00 C ATOM 6 CG PHE A 1 25.800 -1.344 2.004 1.00 0.00 C ATOM 7 CD1 PHE A 1 24.529 -1.005 2.447 1.00 0.00 C ATOM 8 CD2 PHE A 1 25.974 -2.546 1.342 1.00 0.00 C ATOM 9 CE1 PHE A 1 23.457 -1.852 2.233 1.00 0.00 C ATOM 10 CE2 PHE A 1 24.908 -3.395 1.123 1.00 0.00 C ATOM 11 CZ PHE A 1 23.647 -3.049 1.569 1.00 0.00 C ATOM 12 H1 PHE A 1 28.348 -2.271 3.860 1.00 0.00 H ATOM 13 HA PHE A 1 28.397 0.151 3.729 1.00 0.00 H ATOM 14 HB2 PHE A 1 26.700 0.554 1.908 1.00 0.00 H ATOM 15 HB3 PHE A 1 27.798 -0.792 1.632 1.00 0.00 H ATOM 16 HD1 PHE A 1 24.378 -0.067 2.965 1.00 0.00 H ATOM 17 HD2 PHE A 1 26.958 -2.819 0.992 1.00 0.00 H ATOM 18 HE1 PHE A 1 22.471 -1.579 2.582 1.00 0.00 H ATOM 19 HE2 PHE A 1 25.059 -4.329 0.605 1.00 0.00 H ATOM 20 HZ PHE A 1 22.813 -3.713 1.399 1.00 0.00 H ATOM 21 N GLY A 2 25.463 -0.233 5.131 1.00 0.00 N ATOM 22 CA GLY A 2 24.477 0.451 5.951 1.00 0.00 C ATOM 23 C GLY A 2 25.065 0.982 7.247 1.00 0.00 C ATOM 24 O GLY A 2 25.645 0.221 8.025 1.00 0.00 O ATOM 25 H GLY A 2 25.404 -1.204 5.009 1.00 0.00 H ATOM 26 HA2 GLY A 2 24.069 1.279 5.387 1.00 0.00 H ATOM 27 HA3 GLY A 2 23.680 -0.238 6.185 1.00 0.00 H ATOM 28 N GLY A 3 24.911 2.288 7.478 1.00 0.00 N ATOM 29 CA GLY A 3 25.429 2.905 8.689 1.00 0.00 C ATOM 30 C GLY A 3 24.514 2.694 9.882 1.00 0.00 C ATOM 31 O GLY A 3 24.697 1.748 10.651 1.00 0.00 O ATOM 32 H GLY A 3 24.437 2.839 6.819 1.00 0.00 H ATOM 33 HA2 GLY A 3 26.399 2.484 8.912 1.00 0.00 H ATOM 34 HA3 GLY A 3 25.541 3.966 8.520 1.00 0.00 H ATOM 35 N PHE A 4 23.526 3.580 10.027 1.00 0.00 N ATOM 36 CA PHE A 4 22.565 3.502 11.130 1.00 0.00 C ATOM 37 C PHE A 4 21.397 4.459 10.881 1.00 0.00 C ATOM 38 O PHE A 4 20.229 4.072 10.977 1.00 0.00 O ATOM 39 CB PHE A 4 23.253 3.845 12.456 1.00 0.00 C ATOM 40 CG PHE A 4 22.586 3.241 13.660 1.00 0.00 C ATOM 41 CD1 PHE A 4 22.394 1.871 13.743 1.00 0.00 C ATOM 42 CD2 PHE A 4 22.160 4.039 14.709 1.00 0.00 C ATOM 43 CE1 PHE A 4 21.791 1.308 14.850 1.00 0.00 C ATOM 44 CE2 PHE A 4 21.554 3.481 15.818 1.00 0.00 C ATOM 45 CZ PHE A 4 21.368 2.114 15.888 1.00 0.00 C ATOM 46 H PHE A 4 23.443 4.307 9.374 1.00 0.00 H ATOM 47 HA PHE A 4 22.188 2.493 11.176 1.00 0.00 H ATOM 48 HB2 PHE A 4 24.270 3.487 12.428 1.00 0.00 H ATOM 49 HB3 PHE A 4 23.261 4.918 12.582 1.00 0.00 H ATOM 50 HD1 PHE A 4 22.724 1.240 12.930 1.00 0.00 H ATOM 51 HD2 PHE A 4 22.303 5.109 14.654 1.00 0.00 H ATOM 52 HE1 PHE A 4 21.647 0.237 14.902 1.00 0.00 H ATOM 53 HE2 PHE A 4 21.226 4.113 16.630 1.00 0.00 H ATOM 54 HZ PHE A 4 20.896 1.676 16.756 1.00 0.00 H ATOM 55 N THR A 5 21.730 5.708 10.541 1.00 0.00 N ATOM 56 CA THR A 5 20.726 6.732 10.251 1.00 0.00 C ATOM 57 C THR A 5 20.275 6.681 8.779 1.00 0.00 C ATOM 58 O THR A 5 19.571 7.578 8.311 1.00 0.00 O ATOM 59 CB THR A 5 21.265 8.145 10.582 1.00 0.00 C ATOM 60 OG1 THR A 5 20.253 9.132 10.355 1.00 0.00 O ATOM 61 CG2 THR A 5 22.497 8.479 9.747 1.00 0.00 C ATOM 62 H THR A 5 22.678 5.941 10.472 1.00 0.00 H ATOM 63 HA THR A 5 19.868 6.542 10.880 1.00 0.00 H ATOM 64 HB THR A 5 21.545 8.167 11.625 1.00 0.00 H ATOM 65 HG1 THR A 5 20.054 9.584 11.180 1.00 0.00 H ATOM 66 HG21 THR A 5 22.407 8.023 8.772 1.00 0.00 H ATOM 67 HG22 THR A 5 23.379 8.102 10.241 1.00 0.00 H ATOM 68 HG23 THR A 5 22.576 9.551 9.637 1.00 0.00 H ATOM 69 N GLY A 6 20.671 5.624 8.058 1.00 0.00 N ATOM 70 CA GLY A 6 20.290 5.482 6.663 1.00 0.00 C ATOM 71 C GLY A 6 18.792 5.313 6.481 1.00 0.00 C ATOM 72 O GLY A 6 18.213 5.852 5.537 1.00 0.00 O ATOM 73 H GLY A 6 21.221 4.932 8.477 1.00 0.00 H ATOM 74 HA2 GLY A 6 20.610 6.360 6.123 1.00 0.00 H ATOM 75 HA3 GLY A 6 20.791 4.618 6.251 1.00 0.00 H ATOM 76 N LYS A 7 18.167 4.554 7.386 1.00 0.00 N ATOM 77 CA LYS A 7 16.725 4.301 7.329 1.00 0.00 C ATOM 78 C LYS A 7 15.904 5.599 7.336 1.00 0.00 C ATOM 79 O LYS A 7 14.816 5.647 6.756 1.00 0.00 O ATOM 80 CB LYS A 7 16.281 3.420 8.503 1.00 0.00 C ATOM 81 CG LYS A 7 14.783 3.170 8.513 1.00 0.00 C ATOM 82 CD LYS A 7 14.278 2.643 9.850 1.00 0.00 C ATOM 83 CE LYS A 7 12.773 2.864 9.987 1.00 0.00 C ATOM 84 NZ LYS A 7 12.408 4.265 9.756 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.690 4.150 8.111 1.00 0.00 H ATOM 86 HA LYS A 7 16.525 3.774 6.409 1.00 0.00 H ATOM 87 HB2 LYS A 7 16.787 2.466 8.441 1.00 0.00 H ATOM 88 HB3 LYS A 7 16.551 3.904 9.430 1.00 0.00 H ATOM 89 HG2 LYS A 7 14.282 4.100 8.300 1.00 0.00 H ATOM 90 HG3 LYS A 7 14.548 2.453 7.741 1.00 0.00 H ATOM 91 HD2 LYS A 7 14.484 1.584 9.911 1.00 0.00 H ATOM 92 HD3 LYS A 7 14.786 3.162 10.649 1.00 0.00 H ATOM 93 HE2 LYS A 7 12.263 2.243 9.264 1.00 0.00 H ATOM 94 HE3 LYS A 7 12.467 2.579 10.984 1.00 0.00 H ATOM 95 HZ1 LYS A 7 12.371 4.859 10.534 1.00 0.00 H ATOM 96 N ARG A 8 16.420 6.635 8.006 1.00 0.00 N ATOM 97 CA ARG A 8 15.731 7.926 8.106 1.00 0.00 C ATOM 98 C ARG A 8 15.237 8.403 6.741 1.00 0.00 C ATOM 99 O ARG A 8 14.229 9.104 6.645 1.00 0.00 O ATOM 100 CB ARG A 8 16.663 8.980 8.712 1.00 0.00 C ATOM 101 CG ARG A 8 17.147 8.647 10.119 1.00 0.00 C ATOM 102 CD ARG A 8 16.122 9.027 11.179 1.00 0.00 C ATOM 103 NE ARG A 8 16.605 8.746 12.531 1.00 0.00 N ATOM 104 CZ ARG A 8 16.728 7.520 13.048 1.00 0.00 C ATOM 105 NH1 ARG A 8 16.319 6.448 12.368 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 17.243 7.368 14.264 1.00 0.00 N ATOM 107 H ARG A 8 17.285 6.528 8.450 1.00 0.00 H ATOM 108 HA ARG A 8 14.880 7.796 8.758 1.00 0.00 H ATOM 109 HB2 ARG A 8 17.527 9.090 8.073 1.00 0.00 H ATOM 110 HB3 ARG A 8 16.136 9.923 8.752 1.00 0.00 H ATOM 111 HG2 ARG A 8 17.331 7.584 10.181 1.00 0.00 H ATOM 112 HG3 ARG A 8 18.065 9.183 10.309 1.00 0.00 H ATOM 113 HD2 ARG A 8 15.909 10.083 11.097 1.00 0.00 H ATOM 114 HD3 ARG A 8 15.216 8.464 11.008 1.00 0.00 H ATOM 115 HE ARG A 8 16.880 9.514 13.078 1.00 0.00 H ATOM 116 HH11 ARG A 8 15.912 6.553 11.459 1.00 0.00 H ATOM 117 HH12 ARG A 8 16.417 5.536 12.767 1.00 0.00 H ATOM 118 HH21 ARG A 8 17.538 8.169 14.786 1.00 0.00 H ATOM 119 HH22 ARG A 8 17.335 6.453 14.657 1.00 0.00 H ATOM 120 N LYS A 9 15.955 8.023 5.688 1.00 0.00 N ATOM 121 CA LYS A 9 15.587 8.420 4.328 1.00 0.00 C ATOM 122 C LYS A 9 14.173 7.943 3.980 1.00 0.00 C ATOM 123 O LYS A 9 13.288 8.754 3.689 1.00 0.00 O ATOM 124 CB LYS A 9 16.591 7.862 3.307 1.00 0.00 C ATOM 125 CG LYS A 9 16.311 8.298 1.873 1.00 0.00 C ATOM 126 CD LYS A 9 17.261 7.638 0.883 1.00 0.00 C ATOM 127 CE LYS A 9 17.009 8.106 -0.545 1.00 0.00 C ATOM 128 NZ LYS A 9 15.632 7.779 -1.019 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.750 7.467 5.831 1.00 0.00 H ATOM 130 HA LYS A 9 15.607 9.496 4.284 1.00 0.00 H ATOM 131 HB2 LYS A 9 17.583 8.195 3.576 1.00 0.00 H ATOM 132 HB3 LYS A 9 16.563 6.783 3.344 1.00 0.00 H ATOM 133 HG2 LYS A 9 15.298 8.027 1.617 1.00 0.00 H ATOM 134 HG3 LYS A 9 16.425 9.370 1.806 1.00 0.00 H ATOM 135 HD2 LYS A 9 18.276 7.884 1.154 1.00 0.00 H ATOM 136 HD3 LYS A 9 17.125 6.566 0.930 1.00 0.00 H ATOM 137 HE2 LYS A 9 17.147 9.175 -0.588 1.00 0.00 H ATOM 138 HE3 LYS A 9 17.727 7.627 -1.197 1.00 0.00 H ATOM 139 HZ1 LYS A 9 14.941 8.417 -0.576 1.00 0.00 H ATOM 140 HZ2 LYS A 9 15.389 6.798 -0.773 1.00 0.00 H ATOM 141 HZ3 LYS A 9 15.575 7.888 -2.052 1.00 0.00 H ATOM 142 N SER A 10 13.970 6.623 4.015 1.00 0.00 N ATOM 143 CA SER A 10 12.666 6.028 3.706 1.00 0.00 C ATOM 144 C SER A 10 11.626 6.394 4.760 1.00 0.00 C ATOM 145 O SER A 10 10.491 6.741 4.431 1.00 0.00 O ATOM 146 CB SER A 10 12.787 4.505 3.608 1.00 0.00 C ATOM 147 OG SER A 10 11.546 3.919 3.251 1.00 0.00 O ATOM 148 H SER A 10 14.715 6.036 4.257 1.00 0.00 H ATOM 149 HA SER A 10 12.344 6.416 2.751 1.00 0.00 H ATOM 150 HB2 SER A 10 13.524 4.250 2.860 1.00 0.00 H ATOM 151 HB3 SER A 10 13.092 4.109 4.564 1.00 0.00 H ATOM 152 HG SER A 10 11.642 2.964 3.210 1.00 0.00 H ATOM 153 N ASP A 11 12.026 6.311 6.026 1.00 0.00 N ATOM 154 CA ASP A 11 11.140 6.631 7.144 1.00 0.00 C ATOM 155 C ASP A 11 10.760 8.113 7.128 1.00 0.00 C ATOM 156 O ASP A 11 9.624 8.472 7.442 1.00 0.00 O ATOM 157 CB ASP A 11 11.809 6.251 8.474 1.00 0.00 C ATOM 158 CG ASP A 11 12.147 4.767 8.546 1.00 0.00 C ATOM 159 OD1 ASP A 11 12.203 4.085 7.519 1.00 0.00 O ATOM 160 H ASP A 11 12.946 6.029 6.216 1.00 0.00 H ATOM 161 HA ASP A 11 10.242 6.044 7.026 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.724 6.815 8.585 1.00 0.00 H ATOM 163 HB3 ASP A 11 11.142 6.489 9.289 1.00 0.00 H ATOM 164 N ARG A 12 11.713 8.966 6.738 1.00 0.00 N ATOM 165 CA ARG A 12 11.483 10.410 6.657 1.00 0.00 C ATOM 166 C ARG A 12 10.417 10.738 5.607 1.00 0.00 C ATOM 167 O ARG A 12 9.598 11.635 5.806 1.00 0.00 O ATOM 168 CB ARG A 12 12.799 11.135 6.337 1.00 0.00 C ATOM 169 CG ARG A 12 12.666 12.646 6.179 1.00 0.00 C ATOM 170 CD ARG A 12 12.194 13.037 4.780 1.00 0.00 C ATOM 171 NE ARG A 12 13.109 12.573 3.736 1.00 0.00 N ATOM 172 CZ ARG A 12 14.358 13.025 3.577 1.00 0.00 C ATOM 173 NH1 ARG A 12 14.827 14.003 4.349 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 15.134 12.509 2.628 1.00 0.00 N ATOM 175 H ARG A 12 12.593 8.612 6.489 1.00 0.00 H ATOM 176 HA ARG A 12 11.127 10.740 7.621 1.00 0.00 H ATOM 177 HB2 ARG A 12 13.500 10.942 7.134 1.00 0.00 H ATOM 178 HB3 ARG A 12 13.199 10.735 5.417 1.00 0.00 H ATOM 179 HG2 ARG A 12 11.951 13.010 6.900 1.00 0.00 H ATOM 180 HG3 ARG A 12 13.628 13.100 6.365 1.00 0.00 H ATOM 181 HD2 ARG A 12 11.221 12.608 4.607 1.00 0.00 H ATOM 182 HD3 ARG A 12 12.123 14.113 4.729 1.00 0.00 H ATOM 183 HE ARG A 12 12.783 11.873 3.131 1.00 0.00 H ATOM 184 HH11 ARG A 12 14.245 14.406 5.056 1.00 0.00 H ATOM 185 HH12 ARG A 12 15.762 14.332 4.226 1.00 0.00 H ATOM 186 HH21 ARG A 12 14.787 11.783 2.035 1.00 0.00 H ATOM 187 HH22 ARG A 12 16.068 12.848 2.506 1.00 0.00 H ATOM 188 N LYS A 13 10.434 10.009 4.489 1.00 0.00 N ATOM 189 CA LYS A 13 9.465 10.229 3.414 1.00 0.00 C ATOM 190 C LYS A 13 8.089 9.655 3.773 1.00 0.00 C ATOM 191 O LYS A 13 7.062 10.301 3.556 1.00 0.00 O ATOM 192 CB LYS A 13 9.961 9.596 2.107 1.00 0.00 C ATOM 193 CG LYS A 13 9.112 9.942 0.887 1.00 0.00 C ATOM 194 CD LYS A 13 9.458 11.312 0.314 1.00 0.00 C ATOM 195 CE LYS A 13 9.203 12.432 1.311 1.00 0.00 C ATOM 196 NZ LYS A 13 9.381 13.778 0.700 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.114 9.310 4.384 1.00 0.00 H ATOM 198 HA LYS A 13 9.366 11.291 3.274 1.00 0.00 H ATOM 199 HB2 LYS A 13 10.970 9.928 1.920 1.00 0.00 H ATOM 200 HB3 LYS A 13 9.963 8.521 2.221 1.00 0.00 H ATOM 201 HG2 LYS A 13 9.275 9.196 0.124 1.00 0.00 H ATOM 202 HG3 LYS A 13 8.070 9.938 1.176 1.00 0.00 H ATOM 203 HD2 LYS A 13 10.504 11.322 0.044 1.00 0.00 H ATOM 204 HD3 LYS A 13 8.857 11.484 -0.567 1.00 0.00 H ATOM 205 HE2 LYS A 13 8.193 12.344 1.683 1.00 0.00 H ATOM 206 HE3 LYS A 13 9.898 12.328 2.131 1.00 0.00 H ATOM 207 HZ1 LYS A 13 10.226 13.786 0.093 1.00 0.00 H ATOM 208 HZ2 LYS A 13 9.498 14.494 1.445 1.00 0.00 H ATOM 209 HZ3 LYS A 13 8.551 14.023 0.125 1.00 0.00 H ATOM 210 N LYS A 14 8.084 8.430 4.305 1.00 0.00 N ATOM 211 CA LYS A 14 6.842 7.742 4.679 1.00 0.00 C ATOM 212 C LYS A 14 6.054 8.472 5.763 1.00 0.00 C ATOM 213 O LYS A 14 4.829 8.526 5.699 1.00 0.00 O ATOM 214 CB LYS A 14 7.137 6.309 5.131 1.00 0.00 C ATOM 215 CG LYS A 14 7.238 5.315 3.985 1.00 0.00 C ATOM 216 CD LYS A 14 5.950 5.241 3.162 1.00 0.00 C ATOM 217 CE LYS A 14 4.814 4.549 3.911 1.00 0.00 C ATOM 218 NZ LYS A 14 4.131 5.437 4.859 1.00 0.00 N1+ ATOM 219 H LYS A 14 8.939 7.970 4.437 1.00 0.00 H ATOM 220 HA LYS A 14 6.229 7.699 3.795 1.00 0.00 H ATOM 221 HB2 LYS A 14 8.075 6.302 5.666 1.00 0.00 H ATOM 222 HB3 LYS A 14 6.356 5.983 5.799 1.00 0.00 H ATOM 223 HG2 LYS A 14 8.047 5.614 3.335 1.00 0.00 H ATOM 224 HG3 LYS A 14 7.447 4.337 4.392 1.00 0.00 H ATOM 225 HD2 LYS A 14 5.639 6.243 2.915 1.00 0.00 H ATOM 226 HD3 LYS A 14 6.152 4.695 2.251 1.00 0.00 H ATOM 227 HE2 LYS A 14 4.095 4.193 3.189 1.00 0.00 H ATOM 228 HE3 LYS A 14 5.220 3.709 4.453 1.00 0.00 H ATOM 229 HZ1 LYS A 14 4.672 5.864 5.552 1.00 0.00 H ATOM 230 N LYS A 15 6.745 9.021 6.758 1.00 0.00 N ATOM 231 CA LYS A 15 6.070 9.733 7.845 1.00 0.00 C ATOM 232 C LYS A 15 5.160 10.837 7.295 1.00 0.00 C ATOM 233 O LYS A 15 4.072 11.074 7.822 1.00 0.00 O ATOM 234 CB LYS A 15 7.094 10.296 8.841 1.00 0.00 C ATOM 235 CG LYS A 15 8.082 11.280 8.236 1.00 0.00 C ATOM 236 CD LYS A 15 7.586 12.715 8.325 1.00 0.00 C ATOM 237 CE LYS A 15 7.428 13.167 9.767 1.00 0.00 C ATOM 238 NZ LYS A 15 6.832 14.527 9.856 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.721 8.945 6.765 1.00 0.00 H ATOM 240 HA LYS A 15 5.451 9.012 8.360 1.00 0.00 H ATOM 241 HB2 LYS A 15 6.562 10.799 9.635 1.00 0.00 H ATOM 242 HB3 LYS A 15 7.652 9.472 9.264 1.00 0.00 H ATOM 243 HG2 LYS A 15 9.022 11.201 8.762 1.00 0.00 H ATOM 244 HG3 LYS A 15 8.228 11.025 7.199 1.00 0.00 H ATOM 245 HD2 LYS A 15 8.299 13.362 7.834 1.00 0.00 H ATOM 246 HD3 LYS A 15 6.631 12.789 7.828 1.00 0.00 H ATOM 247 HE2 LYS A 15 6.788 12.467 10.284 1.00 0.00 H ATOM 248 HE3 LYS A 15 8.401 13.177 10.238 1.00 0.00 H ATOM 249 HZ1 LYS A 15 5.872 14.521 9.459 1.00 0.00 H ATOM 250 HZ2 LYS A 15 7.412 15.207 9.323 1.00 0.00 H ATOM 251 HZ3 LYS A 15 6.785 14.832 10.849 1.00 0.00 H ATOM 252 N ASN A 16 5.606 11.493 6.222 1.00 0.00 N ATOM 253 CA ASN A 16 4.828 12.557 5.584 1.00 0.00 C ATOM 254 C ASN A 16 3.709 11.971 4.715 1.00 0.00 C ATOM 255 O ASN A 16 2.545 12.365 4.836 1.00 0.00 O ATOM 256 CB ASN A 16 5.752 13.443 4.733 1.00 0.00 C ATOM 257 CG ASN A 16 5.053 14.631 4.067 1.00 0.00 C ATOM 258 OD1 ASN A 16 5.661 15.327 3.254 1.00 0.00 O ATOM 259 ND2 ASN A 16 3.790 14.893 4.412 1.00 0.00 N ATOM 260 H ASN A 16 6.476 11.244 5.840 1.00 0.00 H ATOM 261 HA ASN A 16 4.386 13.157 6.364 1.00 0.00 H ATOM 262 HB2 ASN A 16 6.536 13.831 5.364 1.00 0.00 H ATOM 263 HB3 ASN A 16 6.196 12.835 3.957 1.00 0.00 H ATOM 264 HD21 ASN A 16 3.357 14.321 5.074 1.00 0.00 H ATOM 265 HD22 ASN A 16 3.344 15.652 3.981 1.00 0.00 H ATOM 266 N GLN A 17 4.074 11.036 3.839 1.00 0.00 N ATOM 267 CA GLN A 17 3.115 10.396 2.937 1.00 0.00 C ATOM 268 C GLN A 17 2.044 9.625 3.711 1.00 0.00 C ATOM 269 O GLN A 17 0.854 9.912 3.586 1.00 0.00 O ATOM 270 CB GLN A 17 3.849 9.453 1.978 1.00 0.00 C ATOM 271 CG GLN A 17 2.935 8.752 0.986 1.00 0.00 C ATOM 272 CD GLN A 17 3.679 7.766 0.104 1.00 0.00 C ATOM 273 OE1 GLN A 17 4.561 8.147 -0.666 1.00 0.00 O ATOM 274 NE2 GLN A 17 3.328 6.489 0.216 1.00 0.00 N ATOM 275 H GLN A 17 5.016 10.773 3.794 1.00 0.00 H ATOM 276 HA GLN A 17 2.635 11.170 2.365 1.00 0.00 H ATOM 277 HB2 GLN A 17 4.576 10.023 1.421 1.00 0.00 H ATOM 278 HB3 GLN A 17 4.364 8.699 2.556 1.00 0.00 H ATOM 279 HG2 GLN A 17 2.174 8.218 1.533 1.00 0.00 H ATOM 280 HG3 GLN A 17 2.470 9.495 0.358 1.00 0.00 H ATOM 281 HE21 GLN A 17 2.621 6.258 0.853 1.00 0.00 H ATOM 282 HE22 GLN A 17 3.786 5.833 -0.348 1.00 0.00 H ATOM 283 N ASP A 18 2.477 8.652 4.506 1.00 0.00 N ATOM 284 CA ASP A 18 1.558 7.841 5.301 1.00 0.00 C ATOM 285 C ASP A 18 0.916 8.670 6.414 1.00 0.00 C ATOM 286 O ASP A 18 -0.297 8.617 6.616 1.00 0.00 O ATOM 287 CB ASP A 18 2.287 6.630 5.896 1.00 0.00 C ATOM 288 CG ASP A 18 2.820 5.686 4.828 1.00 0.00 C ATOM 289 OD1 ASP A 18 2.061 5.184 3.997 1.00 0.00 O ATOM 290 H ASP A 18 3.439 8.476 4.561 1.00 0.00 H ATOM 291 HA ASP A 18 0.780 7.490 4.640 1.00 0.00 H ATOM 292 HB2 ASP A 18 3.119 6.977 6.491 1.00 0.00 H ATOM 293 HB3 ASP A 18 1.603 6.082 6.527 1.00 0.00 H HETATM 294 N NH2 A 19 1.730 9.433 7.139 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.687 9.427 6.924 1.00 0.00 H HETATM 296 HN2 NH2 A 19 1.339 9.968 7.860 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 10 ATOM 1 N PHE A 1 25.346 -3.572 11.530 1.00 0.00 N ATOM 2 CA PHE A 1 24.645 -2.650 10.640 1.00 0.00 C ATOM 3 C PHE A 1 24.894 -1.201 11.071 1.00 0.00 C ATOM 4 O PHE A 1 23.956 -0.412 11.209 1.00 0.00 O ATOM 5 CB PHE A 1 23.135 -2.943 10.631 1.00 0.00 C ATOM 6 CG PHE A 1 22.781 -4.388 10.377 1.00 0.00 C ATOM 7 CD1 PHE A 1 22.958 -5.340 11.370 1.00 0.00 C ATOM 8 CD2 PHE A 1 22.256 -4.789 9.156 1.00 0.00 C ATOM 9 CE1 PHE A 1 22.624 -6.662 11.151 1.00 0.00 C ATOM 10 CE2 PHE A 1 21.919 -6.113 8.934 1.00 0.00 C ATOM 11 CZ PHE A 1 22.104 -7.049 9.932 1.00 0.00 C ATOM 12 H1 PHE A 1 25.132 -3.569 12.485 1.00 0.00 H ATOM 13 HA PHE A 1 25.038 -2.788 9.644 1.00 0.00 H ATOM 14 HB2 PHE A 1 22.724 -2.669 11.592 1.00 0.00 H ATOM 15 HB3 PHE A 1 22.666 -2.343 9.865 1.00 0.00 H ATOM 16 HD1 PHE A 1 23.363 -5.039 12.326 1.00 0.00 H ATOM 17 HD2 PHE A 1 22.113 -4.059 8.374 1.00 0.00 H ATOM 18 HE1 PHE A 1 22.768 -7.392 11.931 1.00 0.00 H ATOM 19 HE2 PHE A 1 21.511 -6.414 7.978 1.00 0.00 H ATOM 20 HZ PHE A 1 21.841 -8.083 9.759 1.00 0.00 H ATOM 21 N GLY A 2 26.168 -0.868 11.300 1.00 0.00 N ATOM 22 CA GLY A 2 26.532 0.471 11.734 1.00 0.00 C ATOM 23 C GLY A 2 26.220 1.550 10.715 1.00 0.00 C ATOM 24 O GLY A 2 25.524 2.514 11.031 1.00 0.00 O ATOM 25 H GLY A 2 26.866 -1.543 11.183 1.00 0.00 H ATOM 26 HA2 GLY A 2 25.997 0.695 12.645 1.00 0.00 H ATOM 27 HA3 GLY A 2 27.591 0.490 11.944 1.00 0.00 H ATOM 28 N GLY A 3 26.743 1.397 9.497 1.00 0.00 N ATOM 29 CA GLY A 3 26.510 2.387 8.456 1.00 0.00 C ATOM 30 C GLY A 3 25.163 2.228 7.772 1.00 0.00 C ATOM 31 O GLY A 3 24.207 1.736 8.375 1.00 0.00 O ATOM 32 H GLY A 3 27.300 0.611 9.306 1.00 0.00 H ATOM 33 HA2 GLY A 3 26.558 3.371 8.899 1.00 0.00 H ATOM 34 HA3 GLY A 3 27.292 2.301 7.714 1.00 0.00 H ATOM 35 N PHE A 4 25.096 2.650 6.503 1.00 0.00 N ATOM 36 CA PHE A 4 23.867 2.563 5.709 1.00 0.00 C ATOM 37 C PHE A 4 22.668 3.153 6.467 1.00 0.00 C ATOM 38 O PHE A 4 21.754 2.426 6.869 1.00 0.00 O ATOM 39 CB PHE A 4 23.590 1.108 5.312 1.00 0.00 C ATOM 40 CG PHE A 4 22.532 0.964 4.252 1.00 0.00 C ATOM 41 CD1 PHE A 4 22.672 1.599 3.028 1.00 0.00 C ATOM 42 CD2 PHE A 4 21.399 0.201 4.481 1.00 0.00 C ATOM 43 CE1 PHE A 4 21.701 1.477 2.054 1.00 0.00 C ATOM 44 CE2 PHE A 4 20.424 0.074 3.510 1.00 0.00 C ATOM 45 CZ PHE A 4 20.576 0.712 2.295 1.00 0.00 C ATOM 46 H PHE A 4 25.900 3.030 6.087 1.00 0.00 H ATOM 47 HA PHE A 4 24.020 3.144 4.811 1.00 0.00 H ATOM 48 HB2 PHE A 4 24.501 0.666 4.935 1.00 0.00 H ATOM 49 HB3 PHE A 4 23.266 0.559 6.186 1.00 0.00 H ATOM 50 HD1 PHE A 4 23.553 2.196 2.838 1.00 0.00 H ATOM 51 HD2 PHE A 4 21.279 -0.299 5.430 1.00 0.00 H ATOM 52 HE1 PHE A 4 21.822 1.977 1.104 1.00 0.00 H ATOM 53 HE2 PHE A 4 19.546 -0.523 3.699 1.00 0.00 H ATOM 54 HZ PHE A 4 19.815 0.616 1.534 1.00 0.00 H ATOM 55 N THR A 5 22.684 4.475 6.668 1.00 0.00 N ATOM 56 CA THR A 5 21.602 5.165 7.385 1.00 0.00 C ATOM 57 C THR A 5 20.381 5.423 6.485 1.00 0.00 C ATOM 58 O THR A 5 19.795 6.509 6.509 1.00 0.00 O ATOM 59 CB THR A 5 22.095 6.504 7.995 1.00 0.00 C ATOM 60 OG1 THR A 5 21.033 7.148 8.711 1.00 0.00 O ATOM 61 CG2 THR A 5 22.623 7.440 6.916 1.00 0.00 C ATOM 62 H THR A 5 23.441 4.999 6.329 1.00 0.00 H ATOM 63 HA THR A 5 21.295 4.525 8.200 1.00 0.00 H ATOM 64 HB THR A 5 22.898 6.290 8.685 1.00 0.00 H ATOM 65 HG1 THR A 5 21.381 7.550 9.510 1.00 0.00 H ATOM 66 HG21 THR A 5 22.019 8.336 6.888 1.00 0.00 H ATOM 67 HG22 THR A 5 22.580 6.947 5.956 1.00 0.00 H ATOM 68 HG23 THR A 5 23.646 7.705 7.140 1.00 0.00 H ATOM 69 N GLY A 6 19.986 4.410 5.704 1.00 0.00 N ATOM 70 CA GLY A 6 18.831 4.544 4.829 1.00 0.00 C ATOM 71 C GLY A 6 17.545 4.756 5.610 1.00 0.00 C ATOM 72 O GLY A 6 16.691 5.547 5.208 1.00 0.00 O ATOM 73 H GLY A 6 20.474 3.562 5.731 1.00 0.00 H ATOM 74 HA2 GLY A 6 18.986 5.383 4.168 1.00 0.00 H ATOM 75 HA3 GLY A 6 18.733 3.645 4.236 1.00 0.00 H ATOM 76 N LYS A 7 17.418 4.048 6.734 1.00 0.00 N ATOM 77 CA LYS A 7 16.241 4.147 7.598 1.00 0.00 C ATOM 78 C LYS A 7 15.899 5.602 7.947 1.00 0.00 C ATOM 79 O LYS A 7 14.724 5.959 8.046 1.00 0.00 O ATOM 80 CB LYS A 7 16.478 3.353 8.890 1.00 0.00 C ATOM 81 CG LYS A 7 15.393 3.544 9.940 1.00 0.00 C ATOM 82 CD LYS A 7 14.040 3.036 9.464 1.00 0.00 C ATOM 83 CE LYS A 7 12.907 3.747 10.188 1.00 0.00 C ATOM 84 NZ LYS A 7 12.793 5.141 9.761 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.143 3.440 6.994 1.00 0.00 H ATOM 86 HA LYS A 7 15.408 3.712 7.069 1.00 0.00 H ATOM 87 HB2 LYS A 7 16.533 2.303 8.649 1.00 0.00 H ATOM 88 HB3 LYS A 7 17.419 3.664 9.319 1.00 0.00 H ATOM 89 HG2 LYS A 7 15.672 3.000 10.831 1.00 0.00 H ATOM 90 HG3 LYS A 7 15.311 4.595 10.173 1.00 0.00 H ATOM 91 HD2 LYS A 7 13.946 3.217 8.403 1.00 0.00 H ATOM 92 HD3 LYS A 7 13.972 1.976 9.661 1.00 0.00 H ATOM 93 HE2 LYS A 7 11.979 3.238 9.977 1.00 0.00 H ATOM 94 HE3 LYS A 7 13.100 3.718 11.251 1.00 0.00 H ATOM 95 HZ1 LYS A 7 13.619 5.672 9.714 1.00 0.00 H ATOM 96 N ARG A 8 16.927 6.430 8.146 1.00 0.00 N ATOM 97 CA ARG A 8 16.734 7.836 8.508 1.00 0.00 C ATOM 98 C ARG A 8 15.913 8.573 7.446 1.00 0.00 C ATOM 99 O ARG A 8 14.864 9.150 7.746 1.00 0.00 O ATOM 100 CB ARG A 8 18.104 8.512 8.696 1.00 0.00 C ATOM 101 CG ARG A 8 18.084 9.783 9.540 1.00 0.00 C ATOM 102 CD ARG A 8 17.274 10.908 8.899 1.00 0.00 C ATOM 103 NE ARG A 8 17.378 12.157 9.662 1.00 0.00 N ATOM 104 CZ ARG A 8 18.506 12.873 9.792 1.00 0.00 C ATOM 105 NH1 ARG A 8 19.611 12.527 9.131 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 18.522 13.953 10.571 1.00 0.00 N ATOM 107 H ARG A 8 17.840 6.086 8.057 1.00 0.00 H ATOM 108 HA ARG A 8 16.194 7.864 9.442 1.00 0.00 H ATOM 109 HB2 ARG A 8 18.771 7.810 9.174 1.00 0.00 H ATOM 110 HB3 ARG A 8 18.507 8.760 7.725 1.00 0.00 H ATOM 111 HG2 ARG A 8 17.653 9.553 10.501 1.00 0.00 H ATOM 112 HG3 ARG A 8 19.101 10.123 9.677 1.00 0.00 H ATOM 113 HD2 ARG A 8 17.643 11.075 7.897 1.00 0.00 H ATOM 114 HD3 ARG A 8 16.237 10.608 8.856 1.00 0.00 H ATOM 115 HE ARG A 8 16.571 12.468 10.125 1.00 0.00 H ATOM 116 HH11 ARG A 8 19.608 11.730 8.529 1.00 0.00 H ATOM 117 HH12 ARG A 8 20.447 13.072 9.233 1.00 0.00 H ATOM 118 HH21 ARG A 8 17.692 14.232 11.057 1.00 0.00 H ATOM 119 HH22 ARG A 8 19.364 14.485 10.675 1.00 0.00 H ATOM 120 N LYS A 9 16.392 8.537 6.205 1.00 0.00 N ATOM 121 CA LYS A 9 15.701 9.201 5.091 1.00 0.00 C ATOM 122 C LYS A 9 14.418 8.467 4.700 1.00 0.00 C ATOM 123 O LYS A 9 13.424 9.098 4.328 1.00 0.00 O ATOM 124 CB LYS A 9 16.616 9.378 3.861 1.00 0.00 C ATOM 125 CG LYS A 9 17.498 8.181 3.521 1.00 0.00 C ATOM 126 CD LYS A 9 18.871 8.266 4.189 1.00 0.00 C ATOM 127 CE LYS A 9 19.631 9.514 3.757 1.00 0.00 C ATOM 128 NZ LYS A 9 20.996 9.576 4.351 1.00 0.00 N1+ ATOM 129 H LYS A 9 17.221 8.048 6.038 1.00 0.00 H ATOM 130 HA LYS A 9 15.420 10.184 5.443 1.00 0.00 H ATOM 131 HB2 LYS A 9 15.994 9.583 3.003 1.00 0.00 H ATOM 132 HB3 LYS A 9 17.256 10.231 4.032 1.00 0.00 H ATOM 133 HG2 LYS A 9 17.006 7.278 3.851 1.00 0.00 H ATOM 134 HG3 LYS A 9 17.634 8.144 2.449 1.00 0.00 H ATOM 135 HD2 LYS A 9 18.742 8.292 5.259 1.00 0.00 H ATOM 136 HD3 LYS A 9 19.448 7.393 3.916 1.00 0.00 H ATOM 137 HE2 LYS A 9 19.717 9.513 2.682 1.00 0.00 H ATOM 138 HE3 LYS A 9 19.073 10.383 4.073 1.00 0.00 H ATOM 139 HZ1 LYS A 9 21.704 9.702 3.600 1.00 0.00 H ATOM 140 HZ2 LYS A 9 21.206 8.698 4.867 1.00 0.00 H ATOM 141 HZ3 LYS A 9 21.064 10.378 5.009 1.00 0.00 H ATOM 142 N SER A 10 14.436 7.139 4.796 1.00 0.00 N ATOM 143 CA SER A 10 13.262 6.333 4.464 1.00 0.00 C ATOM 144 C SER A 10 12.061 6.754 5.309 1.00 0.00 C ATOM 145 O SER A 10 10.952 6.912 4.796 1.00 0.00 O ATOM 146 CB SER A 10 13.551 4.846 4.684 1.00 0.00 C ATOM 147 OG SER A 10 14.522 4.370 3.769 1.00 0.00 O ATOM 148 H SER A 10 15.251 6.693 5.108 1.00 0.00 H ATOM 149 HA SER A 10 13.032 6.497 3.424 1.00 0.00 H ATOM 150 HB2 SER A 10 13.921 4.700 5.688 1.00 0.00 H ATOM 151 HB3 SER A 10 12.640 4.280 4.549 1.00 0.00 H ATOM 152 HG SER A 10 15.368 4.286 4.212 1.00 0.00 H ATOM 153 N ASP A 11 12.296 6.941 6.607 1.00 0.00 N ATOM 154 CA ASP A 11 11.246 7.353 7.536 1.00 0.00 C ATOM 155 C ASP A 11 10.799 8.793 7.270 1.00 0.00 C ATOM 156 O ASP A 11 9.619 9.114 7.407 1.00 0.00 O ATOM 157 CB ASP A 11 11.717 7.173 8.987 1.00 0.00 C ATOM 158 CG ASP A 11 11.642 5.719 9.424 1.00 0.00 C ATOM 159 OD1 ASP A 11 10.564 5.125 9.444 1.00 0.00 O ATOM 160 H ASP A 11 13.203 6.805 6.946 1.00 0.00 H ATOM 161 HA ASP A 11 10.399 6.703 7.367 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.743 7.505 9.071 1.00 0.00 H ATOM 163 HB3 ASP A 11 11.099 7.763 9.641 1.00 0.00 H ATOM 164 N ARG A 12 11.742 9.651 6.875 1.00 0.00 N ATOM 165 CA ARG A 12 11.433 11.054 6.570 1.00 0.00 C ATOM 166 C ARG A 12 10.314 11.152 5.529 1.00 0.00 C ATOM 167 O ARG A 12 9.379 11.940 5.683 1.00 0.00 O ATOM 168 CB ARG A 12 12.691 11.768 6.069 1.00 0.00 C ATOM 169 CG ARG A 12 13.760 11.920 7.142 1.00 0.00 C ATOM 170 CD ARG A 12 13.587 13.202 7.945 1.00 0.00 C ATOM 171 NE ARG A 12 14.366 14.309 7.386 1.00 0.00 N ATOM 172 CZ ARG A 12 14.364 15.549 7.881 1.00 0.00 C ATOM 173 NH1 ARG A 12 13.568 15.873 8.897 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 15.154 16.477 7.348 1.00 0.00 N ATOM 175 H ARG A 12 12.666 9.334 6.775 1.00 0.00 H ATOM 176 HA ARG A 12 11.099 11.524 7.483 1.00 0.00 H ATOM 177 HB2 ARG A 12 13.108 11.203 5.250 1.00 0.00 H ATOM 178 HB3 ARG A 12 12.419 12.753 5.716 1.00 0.00 H ATOM 179 HG2 ARG A 12 13.696 11.080 7.816 1.00 0.00 H ATOM 180 HG3 ARG A 12 14.730 11.929 6.670 1.00 0.00 H ATOM 181 HD2 ARG A 12 12.543 13.475 7.943 1.00 0.00 H ATOM 182 HD3 ARG A 12 13.911 13.021 8.960 1.00 0.00 H ATOM 183 HE ARG A 12 14.940 14.113 6.614 1.00 0.00 H ATOM 184 HH11 ARG A 12 12.961 15.187 9.298 1.00 0.00 H ATOM 185 HH12 ARG A 12 13.575 16.805 9.261 1.00 0.00 H ATOM 186 HH21 ARG A 12 15.750 16.246 6.576 1.00 0.00 H ATOM 187 HH22 ARG A 12 15.155 17.405 7.719 1.00 0.00 H ATOM 188 N LYS A 13 10.408 10.339 4.481 1.00 0.00 N ATOM 189 CA LYS A 13 9.387 10.329 3.428 1.00 0.00 C ATOM 190 C LYS A 13 8.165 9.521 3.877 1.00 0.00 C ATOM 191 O LYS A 13 7.026 9.922 3.640 1.00 0.00 O ATOM 192 CB LYS A 13 9.961 9.769 2.117 1.00 0.00 C ATOM 193 CG LYS A 13 8.998 9.845 0.940 1.00 0.00 C ATOM 194 CD LYS A 13 9.673 9.448 -0.366 1.00 0.00 C ATOM 195 CE LYS A 13 8.735 9.616 -1.552 1.00 0.00 C ATOM 196 NZ LYS A 13 9.343 9.134 -2.828 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.169 9.724 4.420 1.00 0.00 H ATOM 198 HA LYS A 13 9.078 11.350 3.264 1.00 0.00 H ATOM 199 HB2 LYS A 13 10.845 10.330 1.861 1.00 0.00 H ATOM 200 HB3 LYS A 13 10.231 8.734 2.267 1.00 0.00 H ATOM 201 HG2 LYS A 13 8.168 9.176 1.118 1.00 0.00 H ATOM 202 HG3 LYS A 13 8.632 10.858 0.849 1.00 0.00 H ATOM 203 HD2 LYS A 13 10.540 10.074 -0.515 1.00 0.00 H ATOM 204 HD3 LYS A 13 9.982 8.414 -0.303 1.00 0.00 H ATOM 205 HE2 LYS A 13 7.830 9.058 -1.360 1.00 0.00 H ATOM 206 HE3 LYS A 13 8.495 10.664 -1.655 1.00 0.00 H ATOM 207 HZ1 LYS A 13 8.614 8.701 -3.430 1.00 0.00 H ATOM 208 HZ2 LYS A 13 10.080 8.426 -2.631 1.00 0.00 H ATOM 209 HZ3 LYS A 13 9.773 9.930 -3.340 1.00 0.00 H ATOM 210 N LYS A 14 8.421 8.390 4.541 1.00 0.00 N ATOM 211 CA LYS A 14 7.363 7.514 5.055 1.00 0.00 C ATOM 212 C LYS A 14 6.366 8.296 5.932 1.00 0.00 C ATOM 213 O LYS A 14 5.161 8.054 5.877 1.00 0.00 O ATOM 214 CB LYS A 14 8.001 6.363 5.857 1.00 0.00 C ATOM 215 CG LYS A 14 7.022 5.393 6.520 1.00 0.00 C ATOM 216 CD LYS A 14 6.433 4.370 5.544 1.00 0.00 C ATOM 217 CE LYS A 14 5.357 4.966 4.645 1.00 0.00 C ATOM 218 NZ LYS A 14 4.318 5.648 5.415 1.00 0.00 N1+ ATOM 219 H LYS A 14 9.355 8.139 4.700 1.00 0.00 H ATOM 220 HA LYS A 14 6.833 7.103 4.210 1.00 0.00 H ATOM 221 HB2 LYS A 14 8.629 5.790 5.190 1.00 0.00 H ATOM 222 HB3 LYS A 14 8.624 6.791 6.631 1.00 0.00 H ATOM 223 HG2 LYS A 14 7.545 4.859 7.300 1.00 0.00 H ATOM 224 HG3 LYS A 14 6.216 5.959 6.961 1.00 0.00 H ATOM 225 HD2 LYS A 14 7.229 3.985 4.921 1.00 0.00 H ATOM 226 HD3 LYS A 14 6.002 3.559 6.112 1.00 0.00 H ATOM 227 HE2 LYS A 14 5.816 5.673 3.970 1.00 0.00 H ATOM 228 HE3 LYS A 14 4.900 4.170 4.073 1.00 0.00 H ATOM 229 HZ1 LYS A 14 4.614 6.254 6.125 1.00 0.00 H ATOM 230 N LYS A 15 6.878 9.235 6.735 1.00 0.00 N ATOM 231 CA LYS A 15 6.038 10.047 7.625 1.00 0.00 C ATOM 232 C LYS A 15 4.989 10.845 6.855 1.00 0.00 C ATOM 233 O LYS A 15 3.819 10.875 7.240 1.00 0.00 O ATOM 234 CB LYS A 15 6.902 11.011 8.453 1.00 0.00 C ATOM 235 CG LYS A 15 7.005 10.649 9.933 1.00 0.00 C ATOM 236 CD LYS A 15 7.840 9.396 10.172 1.00 0.00 C ATOM 237 CE LYS A 15 7.114 8.132 9.734 1.00 0.00 C ATOM 238 NZ LYS A 15 7.954 6.918 9.917 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.846 9.385 6.730 1.00 0.00 H ATOM 240 HA LYS A 15 5.528 9.377 8.298 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.902 11.024 8.039 1.00 0.00 H ATOM 242 HB3 LYS A 15 6.482 12.005 8.376 1.00 0.00 H ATOM 243 HG2 LYS A 15 7.458 11.474 10.462 1.00 0.00 H ATOM 244 HG3 LYS A 15 6.010 10.482 10.317 1.00 0.00 H ATOM 245 HD2 LYS A 15 8.760 9.477 9.613 1.00 0.00 H ATOM 246 HD3 LYS A 15 8.065 9.321 11.227 1.00 0.00 H ATOM 247 HE2 LYS A 15 6.214 8.026 10.321 1.00 0.00 H ATOM 248 HE3 LYS A 15 6.854 8.221 8.692 1.00 0.00 H ATOM 249 HZ1 LYS A 15 7.402 6.066 9.698 1.00 0.00 H ATOM 250 HZ2 LYS A 15 8.287 6.859 10.899 1.00 0.00 H ATOM 251 HZ3 LYS A 15 8.779 6.958 9.284 1.00 0.00 H ATOM 252 N ASN A 16 5.411 11.500 5.780 1.00 0.00 N ATOM 253 CA ASN A 16 4.498 12.313 4.973 1.00 0.00 C ATOM 254 C ASN A 16 3.556 11.448 4.136 1.00 0.00 C ATOM 255 O ASN A 16 2.355 11.724 4.062 1.00 0.00 O ATOM 256 CB ASN A 16 5.284 13.266 4.070 1.00 0.00 C ATOM 257 CG ASN A 16 6.221 14.163 4.861 1.00 0.00 C ATOM 258 OD1 ASN A 16 5.784 14.953 5.696 1.00 0.00 O ATOM 259 ND2 ASN A 16 7.519 14.037 4.604 1.00 0.00 N ATOM 260 H ASN A 16 6.358 11.445 5.531 1.00 0.00 H ATOM 261 HA ASN A 16 3.903 12.901 5.657 1.00 0.00 H ATOM 262 HB2 ASN A 16 5.868 12.692 3.369 1.00 0.00 H ATOM 263 HB3 ASN A 16 4.588 13.891 3.526 1.00 0.00 H ATOM 264 HD21 ASN A 16 7.797 13.381 3.931 1.00 0.00 H ATOM 265 HD22 ASN A 16 8.146 14.606 5.100 1.00 0.00 H ATOM 266 N GLN A 17 4.100 10.406 3.503 1.00 0.00 N ATOM 267 CA GLN A 17 3.299 9.508 2.664 1.00 0.00 C ATOM 268 C GLN A 17 2.139 8.889 3.444 1.00 0.00 C ATOM 269 O GLN A 17 0.976 9.043 3.069 1.00 0.00 O ATOM 270 CB GLN A 17 4.177 8.395 2.079 1.00 0.00 C ATOM 271 CG GLN A 17 3.415 7.427 1.183 1.00 0.00 C ATOM 272 CD GLN A 17 4.278 6.319 0.588 1.00 0.00 C ATOM 273 OE1 GLN A 17 3.789 5.519 -0.214 1.00 0.00 O ATOM 274 NE2 GLN A 17 5.559 6.250 0.969 1.00 0.00 N ATOM 275 H GLN A 17 5.062 10.242 3.597 1.00 0.00 H ATOM 276 HA GLN A 17 2.896 10.093 1.854 1.00 0.00 H ATOM 277 HB2 GLN A 17 4.968 8.843 1.498 1.00 0.00 H ATOM 278 HB3 GLN A 17 4.611 7.831 2.892 1.00 0.00 H ATOM 279 HG2 GLN A 17 2.631 6.968 1.763 1.00 0.00 H ATOM 280 HG3 GLN A 17 2.973 7.988 0.372 1.00 0.00 H ATOM 281 HE21 GLN A 17 5.897 6.909 1.615 1.00 0.00 H ATOM 282 HE22 GLN A 17 6.113 5.541 0.584 1.00 0.00 H ATOM 283 N ASP A 18 2.470 8.181 4.518 1.00 0.00 N ATOM 284 CA ASP A 18 1.467 7.516 5.352 1.00 0.00 C ATOM 285 C ASP A 18 0.818 8.499 6.329 1.00 0.00 C ATOM 286 O ASP A 18 -0.406 8.639 6.361 1.00 0.00 O ATOM 287 CB ASP A 18 2.123 6.356 6.108 1.00 0.00 C ATOM 288 CG ASP A 18 3.014 5.523 5.200 1.00 0.00 C ATOM 289 OD1 ASP A 18 2.535 4.819 4.310 1.00 0.00 O ATOM 290 H ASP A 18 3.417 8.092 4.751 1.00 0.00 H ATOM 291 HA ASP A 18 0.701 7.122 4.703 1.00 0.00 H ATOM 292 HB2 ASP A 18 2.726 6.751 6.911 1.00 0.00 H ATOM 293 HB3 ASP A 18 1.356 5.714 6.516 1.00 0.00 H HETATM 294 N NH2 A 19 1.634 9.188 7.120 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.601 9.031 7.043 1.00 0.00 H HETATM 296 HN2 NH2 A 19 1.239 9.828 7.748 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 11 ATOM 1 N PHE A 1 13.354 1.572 18.042 1.00 0.00 N ATOM 2 CA PHE A 1 12.445 2.638 18.444 1.00 0.00 C ATOM 3 C PHE A 1 12.910 3.976 17.871 1.00 0.00 C ATOM 4 O PHE A 1 12.176 4.630 17.126 1.00 0.00 O ATOM 5 CB PHE A 1 12.364 2.722 19.976 1.00 0.00 C ATOM 6 CG PHE A 1 11.709 1.533 20.640 1.00 0.00 C ATOM 7 CD1 PHE A 1 11.891 0.244 20.159 1.00 0.00 C ATOM 8 CD2 PHE A 1 10.914 1.713 21.762 1.00 0.00 C ATOM 9 CE1 PHE A 1 11.292 -0.836 20.778 1.00 0.00 C ATOM 10 CE2 PHE A 1 10.313 0.636 22.385 1.00 0.00 C ATOM 11 CZ PHE A 1 10.503 -0.639 21.892 1.00 0.00 C ATOM 12 H1 PHE A 1 13.099 0.982 17.303 1.00 0.00 H ATOM 13 HA PHE A 1 11.467 2.408 18.049 1.00 0.00 H ATOM 14 HB2 PHE A 1 13.362 2.809 20.374 1.00 0.00 H ATOM 15 HB3 PHE A 1 11.799 3.604 20.246 1.00 0.00 H ATOM 16 HD1 PHE A 1 12.507 0.085 19.288 1.00 0.00 H ATOM 17 HD2 PHE A 1 10.764 2.708 22.150 1.00 0.00 H ATOM 18 HE1 PHE A 1 11.444 -1.833 20.392 1.00 0.00 H ATOM 19 HE2 PHE A 1 9.696 0.791 23.257 1.00 0.00 H ATOM 20 HZ PHE A 1 10.034 -1.483 22.377 1.00 0.00 H ATOM 21 N GLY A 2 14.140 4.367 18.214 1.00 0.00 N ATOM 22 CA GLY A 2 14.699 5.614 17.721 1.00 0.00 C ATOM 23 C GLY A 2 15.551 5.414 16.481 1.00 0.00 C ATOM 24 O GLY A 2 16.297 4.436 16.389 1.00 0.00 O ATOM 25 H GLY A 2 14.677 3.796 18.801 1.00 0.00 H ATOM 26 HA2 GLY A 2 13.892 6.292 17.487 1.00 0.00 H ATOM 27 HA3 GLY A 2 15.311 6.052 18.497 1.00 0.00 H ATOM 28 N GLY A 3 15.444 6.341 15.525 1.00 0.00 N ATOM 29 CA GLY A 3 16.223 6.243 14.298 1.00 0.00 C ATOM 30 C GLY A 3 17.696 6.536 14.523 1.00 0.00 C ATOM 31 O GLY A 3 18.245 6.194 15.573 1.00 0.00 O ATOM 32 H GLY A 3 14.833 7.098 15.655 1.00 0.00 H ATOM 33 HA2 GLY A 3 16.124 5.244 13.902 1.00 0.00 H ATOM 34 HA3 GLY A 3 15.833 6.945 13.578 1.00 0.00 H ATOM 35 N PHE A 4 18.342 7.179 13.546 1.00 0.00 N ATOM 36 CA PHE A 4 19.760 7.513 13.671 1.00 0.00 C ATOM 37 C PHE A 4 20.245 8.358 12.490 1.00 0.00 C ATOM 38 O PHE A 4 20.500 9.553 12.648 1.00 0.00 O ATOM 39 CB PHE A 4 20.601 6.230 13.793 1.00 0.00 C ATOM 40 CG PHE A 4 21.656 6.286 14.863 1.00 0.00 C ATOM 41 CD1 PHE A 4 21.348 6.744 16.135 1.00 0.00 C ATOM 42 CD2 PHE A 4 22.953 5.877 14.599 1.00 0.00 C ATOM 43 CE1 PHE A 4 22.313 6.795 17.121 1.00 0.00 C ATOM 44 CE2 PHE A 4 23.923 5.926 15.583 1.00 0.00 C ATOM 45 CZ PHE A 4 23.602 6.385 16.845 1.00 0.00 C ATOM 46 H PHE A 4 17.856 7.435 12.734 1.00 0.00 H ATOM 47 HA PHE A 4 19.879 8.092 14.573 1.00 0.00 H ATOM 48 HB2 PHE A 4 19.948 5.402 14.023 1.00 0.00 H ATOM 49 HB3 PHE A 4 21.095 6.039 12.851 1.00 0.00 H ATOM 50 HD1 PHE A 4 20.342 7.064 16.352 1.00 0.00 H ATOM 51 HD2 PHE A 4 23.206 5.516 13.613 1.00 0.00 H ATOM 52 HE1 PHE A 4 22.059 7.154 18.106 1.00 0.00 H ATOM 53 HE2 PHE A 4 24.931 5.605 15.365 1.00 0.00 H ATOM 54 HZ PHE A 4 24.358 6.425 17.615 1.00 0.00 H ATOM 55 N THR A 5 20.370 7.735 11.315 1.00 0.00 N ATOM 56 CA THR A 5 20.834 8.429 10.108 1.00 0.00 C ATOM 57 C THR A 5 20.548 7.613 8.847 1.00 0.00 C ATOM 58 O THR A 5 20.014 8.134 7.867 1.00 0.00 O ATOM 59 CB THR A 5 22.355 8.711 10.173 1.00 0.00 C ATOM 60 OG1 THR A 5 22.658 9.604 11.249 1.00 0.00 O ATOM 61 CG2 THR A 5 22.865 9.307 8.869 1.00 0.00 C ATOM 62 H THR A 5 20.149 6.782 11.261 1.00 0.00 H ATOM 63 HA THR A 5 20.315 9.372 10.041 1.00 0.00 H ATOM 64 HB THR A 5 22.870 7.774 10.343 1.00 0.00 H ATOM 65 HG1 THR A 5 23.241 9.166 11.871 1.00 0.00 H ATOM 66 HG21 THR A 5 23.760 9.882 9.062 1.00 0.00 H ATOM 67 HG22 THR A 5 22.109 9.953 8.448 1.00 0.00 H ATOM 68 HG23 THR A 5 23.089 8.513 8.171 1.00 0.00 H ATOM 69 N GLY A 6 20.921 6.334 8.878 1.00 0.00 N ATOM 70 CA GLY A 6 20.711 5.459 7.735 1.00 0.00 C ATOM 71 C GLY A 6 19.251 5.332 7.339 1.00 0.00 C ATOM 72 O GLY A 6 18.932 5.275 6.150 1.00 0.00 O ATOM 73 H GLY A 6 21.349 5.982 9.684 1.00 0.00 H ATOM 74 HA2 GLY A 6 21.265 5.850 6.894 1.00 0.00 H ATOM 75 HA3 GLY A 6 21.093 4.478 7.977 1.00 0.00 H ATOM 76 N LYS A 7 18.368 5.281 8.338 1.00 0.00 N ATOM 77 CA LYS A 7 16.926 5.149 8.100 1.00 0.00 C ATOM 78 C LYS A 7 16.251 6.474 7.691 1.00 0.00 C ATOM 79 O LYS A 7 15.023 6.569 7.724 1.00 0.00 O ATOM 80 CB LYS A 7 16.240 4.572 9.353 1.00 0.00 C ATOM 81 CG LYS A 7 16.557 5.318 10.649 1.00 0.00 C ATOM 82 CD LYS A 7 15.957 6.717 10.668 1.00 0.00 C ATOM 83 CE LYS A 7 14.435 6.675 10.720 1.00 0.00 C ATOM 84 NZ LYS A 7 13.820 7.635 9.804 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.696 5.325 9.261 1.00 0.00 H ATOM 86 HA LYS A 7 16.800 4.445 7.293 1.00 0.00 H ATOM 87 HB2 LYS A 7 15.171 4.602 9.206 1.00 0.00 H ATOM 88 HB3 LYS A 7 16.546 3.541 9.475 1.00 0.00 H ATOM 89 HG2 LYS A 7 16.155 4.757 11.479 1.00 0.00 H ATOM 90 HG3 LYS A 7 17.630 5.395 10.757 1.00 0.00 H ATOM 91 HD2 LYS A 7 16.319 7.240 11.540 1.00 0.00 H ATOM 92 HD3 LYS A 7 16.266 7.243 9.780 1.00 0.00 H ATOM 93 HE2 LYS A 7 14.105 5.680 10.457 1.00 0.00 H ATOM 94 HE3 LYS A 7 14.119 6.901 11.727 1.00 0.00 H ATOM 95 HZ1 LYS A 7 14.415 8.223 9.293 1.00 0.00 H ATOM 96 N ARG A 8 17.039 7.488 7.301 1.00 0.00 N ATOM 97 CA ARG A 8 16.481 8.786 6.898 1.00 0.00 C ATOM 98 C ARG A 8 15.531 8.662 5.711 1.00 0.00 C ATOM 99 O ARG A 8 14.468 9.284 5.692 1.00 0.00 O ATOM 100 CB ARG A 8 17.593 9.779 6.552 1.00 0.00 C ATOM 101 CG ARG A 8 18.228 10.435 7.766 1.00 0.00 C ATOM 102 CD ARG A 8 19.280 11.449 7.349 1.00 0.00 C ATOM 103 NE ARG A 8 19.836 12.178 8.486 1.00 0.00 N ATOM 104 CZ ARG A 8 20.744 13.150 8.371 1.00 0.00 C ATOM 105 NH1 ARG A 8 21.227 13.486 7.177 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 21.174 13.787 9.451 1.00 0.00 N ATOM 107 H ARG A 8 18.007 7.365 7.284 1.00 0.00 H ATOM 108 HA ARG A 8 15.924 9.174 7.738 1.00 0.00 H ATOM 109 HB2 ARG A 8 18.367 9.259 6.005 1.00 0.00 H ATOM 110 HB3 ARG A 8 17.182 10.557 5.924 1.00 0.00 H ATOM 111 HG2 ARG A 8 17.461 10.939 8.335 1.00 0.00 H ATOM 112 HG3 ARG A 8 18.692 9.676 8.377 1.00 0.00 H ATOM 113 HD2 ARG A 8 20.079 10.931 6.842 1.00 0.00 H ATOM 114 HD3 ARG A 8 18.826 12.155 6.672 1.00 0.00 H ATOM 115 HE ARG A 8 19.514 11.940 9.380 1.00 0.00 H ATOM 116 HH11 ARG A 8 20.914 13.010 6.354 1.00 0.00 H ATOM 117 HH12 ARG A 8 21.906 14.216 7.100 1.00 0.00 H ATOM 118 HH21 ARG A 8 20.818 13.540 10.352 1.00 0.00 H ATOM 119 HH22 ARG A 8 21.854 14.517 9.365 1.00 0.00 H ATOM 120 N LYS A 9 15.921 7.865 4.723 1.00 0.00 N ATOM 121 CA LYS A 9 15.104 7.666 3.527 1.00 0.00 C ATOM 122 C LYS A 9 13.739 7.082 3.887 1.00 0.00 C ATOM 123 O LYS A 9 12.701 7.549 3.405 1.00 0.00 O ATOM 124 CB LYS A 9 15.824 6.736 2.542 1.00 0.00 C ATOM 125 CG LYS A 9 17.239 7.176 2.204 1.00 0.00 C ATOM 126 CD LYS A 9 17.263 8.588 1.646 1.00 0.00 C ATOM 127 CE LYS A 9 17.733 8.615 0.201 1.00 0.00 C ATOM 128 NZ LYS A 9 19.142 8.144 0.062 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.781 7.401 4.798 1.00 0.00 H ATOM 130 HA LYS A 9 14.961 8.628 3.062 1.00 0.00 H ATOM 131 HB2 LYS A 9 15.871 5.748 2.971 1.00 0.00 H ATOM 132 HB3 LYS A 9 15.254 6.694 1.626 1.00 0.00 H ATOM 133 HG2 LYS A 9 17.844 7.144 3.100 1.00 0.00 H ATOM 134 HG3 LYS A 9 17.648 6.500 1.468 1.00 0.00 H ATOM 135 HD2 LYS A 9 16.266 8.997 1.694 1.00 0.00 H ATOM 136 HD3 LYS A 9 17.931 9.190 2.244 1.00 0.00 H ATOM 137 HE2 LYS A 9 17.089 7.974 -0.385 1.00 0.00 H ATOM 138 HE3 LYS A 9 17.663 9.628 -0.167 1.00 0.00 H ATOM 139 HZ1 LYS A 9 19.162 7.117 -0.107 1.00 0.00 H ATOM 140 HZ2 LYS A 9 19.678 8.351 0.931 1.00 0.00 H ATOM 141 HZ3 LYS A 9 19.601 8.625 -0.737 1.00 0.00 H ATOM 142 N SER A 10 13.758 6.055 4.734 1.00 0.00 N ATOM 143 CA SER A 10 12.540 5.377 5.176 1.00 0.00 C ATOM 144 C SER A 10 11.562 6.339 5.851 1.00 0.00 C ATOM 145 O SER A 10 10.359 6.297 5.586 1.00 0.00 O ATOM 146 CB SER A 10 12.901 4.244 6.141 1.00 0.00 C ATOM 147 OG SER A 10 13.747 3.297 5.514 1.00 0.00 O ATOM 148 H SER A 10 14.623 5.738 5.072 1.00 0.00 H ATOM 149 HA SER A 10 12.065 4.953 4.306 1.00 0.00 H ATOM 150 HB2 SER A 10 13.415 4.654 6.998 1.00 0.00 H ATOM 151 HB3 SER A 10 12.000 3.746 6.466 1.00 0.00 H ATOM 152 HG SER A 10 13.285 2.459 5.432 1.00 0.00 H ATOM 153 N ASP A 11 12.086 7.191 6.731 1.00 0.00 N ATOM 154 CA ASP A 11 11.259 8.155 7.461 1.00 0.00 C ATOM 155 C ASP A 11 10.713 9.247 6.542 1.00 0.00 C ATOM 156 O ASP A 11 9.574 9.675 6.700 1.00 0.00 O ATOM 157 CB ASP A 11 12.051 8.778 8.614 1.00 0.00 C ATOM 158 CG ASP A 11 12.506 7.737 9.619 1.00 0.00 C ATOM 159 OD1 ASP A 11 11.685 7.028 10.207 1.00 0.00 O ATOM 160 H ASP A 11 13.050 7.167 6.901 1.00 0.00 H ATOM 161 HA ASP A 11 10.424 7.612 7.873 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.923 9.276 8.217 1.00 0.00 H ATOM 163 HB3 ASP A 11 11.428 9.497 9.123 1.00 0.00 H ATOM 164 N ARG A 12 11.527 9.696 5.588 1.00 0.00 N ATOM 165 CA ARG A 12 11.115 10.742 4.652 1.00 0.00 C ATOM 166 C ARG A 12 9.844 10.344 3.896 1.00 0.00 C ATOM 167 O ARG A 12 8.913 11.142 3.775 1.00 0.00 O ATOM 168 CB ARG A 12 12.256 11.053 3.678 1.00 0.00 C ATOM 169 CG ARG A 12 11.918 12.119 2.645 1.00 0.00 C ATOM 170 CD ARG A 12 13.144 12.941 2.280 1.00 0.00 C ATOM 171 NE ARG A 12 14.249 12.113 1.795 1.00 0.00 N ATOM 172 CZ ARG A 12 15.480 12.573 1.571 1.00 0.00 C ATOM 173 NH1 ARG A 12 15.784 13.849 1.809 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 16.416 11.751 1.110 1.00 0.00 N ATOM 175 H ARG A 12 12.427 9.318 5.516 1.00 0.00 H ATOM 176 HA ARG A 12 10.903 11.630 5.228 1.00 0.00 H ATOM 177 HB2 ARG A 12 13.112 11.390 4.244 1.00 0.00 H ATOM 178 HB3 ARG A 12 12.519 10.146 3.157 1.00 0.00 H ATOM 179 HG2 ARG A 12 11.541 11.638 1.755 1.00 0.00 H ATOM 180 HG3 ARG A 12 11.163 12.774 3.052 1.00 0.00 H ATOM 181 HD2 ARG A 12 12.871 13.644 1.509 1.00 0.00 H ATOM 182 HD3 ARG A 12 13.470 13.480 3.157 1.00 0.00 H ATOM 183 HE ARG A 12 14.062 11.167 1.619 1.00 0.00 H ATOM 184 HH11 ARG A 12 15.087 14.475 2.160 1.00 0.00 H ATOM 185 HH12 ARG A 12 16.713 14.182 1.638 1.00 0.00 H ATOM 186 HH21 ARG A 12 16.193 10.794 0.933 1.00 0.00 H ATOM 187 HH22 ARG A 12 17.342 12.088 0.943 1.00 0.00 H ATOM 188 N LYS A 13 9.805 9.106 3.402 1.00 0.00 N ATOM 189 CA LYS A 13 8.636 8.608 2.669 1.00 0.00 C ATOM 190 C LYS A 13 7.478 8.275 3.614 1.00 0.00 C ATOM 191 O LYS A 13 6.318 8.535 3.293 1.00 0.00 O ATOM 192 CB LYS A 13 9.013 7.388 1.823 1.00 0.00 C ATOM 193 CG LYS A 13 9.559 7.757 0.452 1.00 0.00 C ATOM 194 CD LYS A 13 10.277 6.591 -0.213 1.00 0.00 C ATOM 195 CE LYS A 13 11.640 6.329 0.416 1.00 0.00 C ATOM 196 NZ LYS A 13 12.547 7.510 0.324 1.00 0.00 N1+ ATOM 197 H LYS A 13 10.576 8.513 3.537 1.00 0.00 H ATOM 198 HA LYS A 13 8.312 9.397 2.007 1.00 0.00 H ATOM 199 HB2 LYS A 13 9.765 6.816 2.346 1.00 0.00 H ATOM 200 HB3 LYS A 13 8.135 6.773 1.684 1.00 0.00 H ATOM 201 HG2 LYS A 13 8.735 8.057 -0.179 1.00 0.00 H ATOM 202 HG3 LYS A 13 10.250 8.582 0.560 1.00 0.00 H ATOM 203 HD2 LYS A 13 9.671 5.703 -0.107 1.00 0.00 H ATOM 204 HD3 LYS A 13 10.411 6.815 -1.261 1.00 0.00 H ATOM 205 HE2 LYS A 13 11.498 6.079 1.457 1.00 0.00 H ATOM 206 HE3 LYS A 13 12.098 5.494 -0.093 1.00 0.00 H ATOM 207 HZ1 LYS A 13 12.444 7.973 -0.603 1.00 0.00 H ATOM 208 HZ2 LYS A 13 13.535 7.207 0.442 1.00 0.00 H ATOM 209 HZ3 LYS A 13 12.316 8.197 1.071 1.00 0.00 H ATOM 210 N LYS A 14 7.798 7.708 4.778 1.00 0.00 N ATOM 211 CA LYS A 14 6.782 7.350 5.769 1.00 0.00 C ATOM 212 C LYS A 14 6.146 8.608 6.379 1.00 0.00 C ATOM 213 O LYS A 14 4.933 8.802 6.306 1.00 0.00 O ATOM 214 CB LYS A 14 7.421 6.478 6.863 1.00 0.00 C ATOM 215 CG LYS A 14 6.514 6.142 8.044 1.00 0.00 C ATOM 216 CD LYS A 14 5.489 5.054 7.720 1.00 0.00 C ATOM 217 CE LYS A 14 4.421 5.522 6.738 1.00 0.00 C ATOM 218 NZ LYS A 14 3.728 6.725 7.203 1.00 0.00 N1+ ATOM 219 H LYS A 14 8.741 7.531 4.978 1.00 0.00 H ATOM 220 HA LYS A 14 6.021 6.782 5.265 1.00 0.00 H ATOM 221 HB2 LYS A 14 7.741 5.549 6.415 1.00 0.00 H ATOM 222 HB3 LYS A 14 8.291 6.993 7.245 1.00 0.00 H ATOM 223 HG2 LYS A 14 7.127 5.800 8.862 1.00 0.00 H ATOM 224 HG3 LYS A 14 5.990 7.037 8.342 1.00 0.00 H ATOM 225 HD2 LYS A 14 6.007 4.210 7.292 1.00 0.00 H ATOM 226 HD3 LYS A 14 5.006 4.749 8.639 1.00 0.00 H ATOM 227 HE2 LYS A 14 4.884 5.727 5.786 1.00 0.00 H ATOM 228 HE3 LYS A 14 3.699 4.730 6.616 1.00 0.00 H ATOM 229 HZ1 LYS A 14 4.232 7.346 7.769 1.00 0.00 H ATOM 230 N LYS A 15 6.983 9.456 6.968 1.00 0.00 N ATOM 231 CA LYS A 15 6.544 10.703 7.599 1.00 0.00 C ATOM 232 C LYS A 15 5.740 11.583 6.640 1.00 0.00 C ATOM 233 O LYS A 15 4.728 12.171 7.029 1.00 0.00 O ATOM 234 CB LYS A 15 7.769 11.474 8.105 1.00 0.00 C ATOM 235 CG LYS A 15 7.462 12.873 8.616 1.00 0.00 C ATOM 236 CD LYS A 15 6.516 12.851 9.807 1.00 0.00 C ATOM 237 CE LYS A 15 6.211 14.260 10.296 1.00 0.00 C ATOM 238 NZ LYS A 15 5.540 15.083 9.247 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.937 9.238 6.977 1.00 0.00 H ATOM 240 HA LYS A 15 5.922 10.448 8.441 1.00 0.00 H ATOM 241 HB2 LYS A 15 8.226 10.914 8.905 1.00 0.00 H ATOM 242 HB3 LYS A 15 8.475 11.561 7.293 1.00 0.00 H ATOM 243 HG2 LYS A 15 8.388 13.344 8.913 1.00 0.00 H ATOM 244 HG3 LYS A 15 7.010 13.442 7.818 1.00 0.00 H ATOM 245 HD2 LYS A 15 5.593 12.377 9.514 1.00 0.00 H ATOM 246 HD3 LYS A 15 6.973 12.292 10.611 1.00 0.00 H ATOM 247 HE2 LYS A 15 5.566 14.195 11.158 1.00 0.00 H ATOM 248 HE3 LYS A 15 7.139 14.738 10.576 1.00 0.00 H ATOM 249 HZ1 LYS A 15 6.239 15.413 8.550 1.00 0.00 H ATOM 250 HZ2 LYS A 15 5.083 15.912 9.679 1.00 0.00 H ATOM 251 HZ3 LYS A 15 4.815 14.521 8.756 1.00 0.00 H ATOM 252 N ASN A 16 6.209 11.679 5.397 1.00 0.00 N ATOM 253 CA ASN A 16 5.553 12.503 4.380 1.00 0.00 C ATOM 254 C ASN A 16 4.198 11.928 3.956 1.00 0.00 C ATOM 255 O ASN A 16 3.177 12.619 4.013 1.00 0.00 O ATOM 256 CB ASN A 16 6.463 12.638 3.151 1.00 0.00 C ATOM 257 CG ASN A 16 5.872 13.534 2.079 1.00 0.00 C ATOM 258 OD1 ASN A 16 4.823 13.233 1.507 1.00 0.00 O ATOM 259 ND2 ASN A 16 6.543 14.645 1.798 1.00 0.00 N ATOM 260 H ASN A 16 7.027 11.191 5.162 1.00 0.00 H ATOM 261 HA ASN A 16 5.395 13.484 4.802 1.00 0.00 H ATOM 262 HB2 ASN A 16 7.412 13.055 3.457 1.00 0.00 H ATOM 263 HB3 ASN A 16 6.628 11.658 2.724 1.00 0.00 H ATOM 264 HD21 ASN A 16 7.374 14.823 2.289 1.00 0.00 H ATOM 265 HD22 ASN A 16 6.179 15.243 1.113 1.00 0.00 H ATOM 266 N GLN A 17 4.207 10.670 3.510 1.00 0.00 N ATOM 267 CA GLN A 17 2.989 9.998 3.044 1.00 0.00 C ATOM 268 C GLN A 17 1.920 9.935 4.135 1.00 0.00 C ATOM 269 O GLN A 17 0.785 10.366 3.924 1.00 0.00 O ATOM 270 CB GLN A 17 3.319 8.579 2.551 1.00 0.00 C ATOM 271 CG GLN A 17 2.152 7.885 1.855 1.00 0.00 C ATOM 272 CD GLN A 17 2.480 6.476 1.396 1.00 0.00 C ATOM 273 OE1 GLN A 17 2.806 5.606 2.204 1.00 0.00 O ATOM 274 NE2 GLN A 17 2.383 6.236 0.091 1.00 0.00 N ATOM 275 H GLN A 17 5.061 10.189 3.479 1.00 0.00 H ATOM 276 HA GLN A 17 2.600 10.567 2.217 1.00 0.00 H ATOM 277 HB2 GLN A 17 4.144 8.635 1.856 1.00 0.00 H ATOM 278 HB3 GLN A 17 3.614 7.977 3.397 1.00 0.00 H ATOM 279 HG2 GLN A 17 1.321 7.835 2.542 1.00 0.00 H ATOM 280 HG3 GLN A 17 1.868 8.471 0.992 1.00 0.00 H ATOM 281 HE21 GLN A 17 2.108 6.970 -0.499 1.00 0.00 H ATOM 282 HE22 GLN A 17 2.588 5.331 -0.228 1.00 0.00 H ATOM 283 N ASP A 18 2.287 9.389 5.289 1.00 0.00 N ATOM 284 CA ASP A 18 1.356 9.257 6.408 1.00 0.00 C ATOM 285 C ASP A 18 1.019 10.622 7.012 1.00 0.00 C ATOM 286 O ASP A 18 -0.118 11.085 6.921 1.00 0.00 O ATOM 287 CB ASP A 18 1.934 8.327 7.480 1.00 0.00 C ATOM 288 CG ASP A 18 2.465 7.024 6.901 1.00 0.00 C ATOM 289 OD1 ASP A 18 1.753 6.306 6.195 1.00 0.00 O ATOM 290 H ASP A 18 3.203 9.058 5.389 1.00 0.00 H ATOM 291 HA ASP A 18 0.446 8.819 6.025 1.00 0.00 H ATOM 292 HB2 ASP A 18 2.743 8.832 7.986 1.00 0.00 H ATOM 293 HB3 ASP A 18 1.161 8.090 8.194 1.00 0.00 H HETATM 294 N NH2 A 19 2.006 11.272 7.628 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.892 10.852 7.667 1.00 0.00 H HETATM 296 HN2 NH2 A 19 1.805 12.148 8.019 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 12 ATOM 1 N PHE A 1 21.523 13.346 16.627 1.00 0.00 N ATOM 2 CA PHE A 1 20.829 12.225 16.001 1.00 0.00 C ATOM 3 C PHE A 1 21.319 10.889 16.553 1.00 0.00 C ATOM 4 O PHE A 1 22.511 10.707 16.808 1.00 0.00 O ATOM 5 CB PHE A 1 20.988 12.272 14.472 1.00 0.00 C ATOM 6 CG PHE A 1 22.410 12.418 13.992 1.00 0.00 C ATOM 7 CD1 PHE A 1 23.335 11.399 14.171 1.00 0.00 C ATOM 8 CD2 PHE A 1 22.817 13.577 13.352 1.00 0.00 C ATOM 9 CE1 PHE A 1 24.636 11.538 13.726 1.00 0.00 C ATOM 10 CE2 PHE A 1 24.116 13.721 12.906 1.00 0.00 C ATOM 11 CZ PHE A 1 25.026 12.701 13.093 1.00 0.00 C ATOM 12 H1 PHE A 1 21.004 14.118 16.933 1.00 0.00 H ATOM 13 HA PHE A 1 19.778 12.324 16.240 1.00 0.00 H ATOM 14 HB2 PHE A 1 20.593 11.359 14.052 1.00 0.00 H ATOM 15 HB3 PHE A 1 20.421 13.107 14.088 1.00 0.00 H ATOM 16 HD1 PHE A 1 23.030 10.489 14.663 1.00 0.00 H ATOM 17 HD2 PHE A 1 22.106 14.378 13.205 1.00 0.00 H ATOM 18 HE1 PHE A 1 25.345 10.740 13.873 1.00 0.00 H ATOM 19 HE2 PHE A 1 24.419 14.630 12.408 1.00 0.00 H ATOM 20 HZ PHE A 1 26.042 12.813 12.744 1.00 0.00 H ATOM 21 N GLY A 2 20.386 9.957 16.743 1.00 0.00 N ATOM 22 CA GLY A 2 20.735 8.649 17.266 1.00 0.00 C ATOM 23 C GLY A 2 21.488 7.796 16.258 1.00 0.00 C ATOM 24 O GLY A 2 21.198 7.848 15.061 1.00 0.00 O ATOM 25 H GLY A 2 19.451 10.162 16.529 1.00 0.00 H ATOM 26 HA2 GLY A 2 21.352 8.779 18.144 1.00 0.00 H ATOM 27 HA3 GLY A 2 19.829 8.136 17.550 1.00 0.00 H ATOM 28 N GLY A 3 22.457 7.013 16.744 1.00 0.00 N ATOM 29 CA GLY A 3 23.248 6.150 15.869 1.00 0.00 C ATOM 30 C GLY A 3 22.488 4.918 15.396 1.00 0.00 C ATOM 31 O GLY A 3 22.926 3.788 15.622 1.00 0.00 O ATOM 32 H GLY A 3 22.638 7.020 17.707 1.00 0.00 H ATOM 33 HA2 GLY A 3 23.554 6.720 15.004 1.00 0.00 H ATOM 34 HA3 GLY A 3 24.131 5.830 16.404 1.00 0.00 H ATOM 35 N PHE A 4 21.346 5.139 14.744 1.00 0.00 N ATOM 36 CA PHE A 4 20.505 4.052 14.238 1.00 0.00 C ATOM 37 C PHE A 4 19.402 4.606 13.328 1.00 0.00 C ATOM 38 O PHE A 4 18.212 4.362 13.547 1.00 0.00 O ATOM 39 CB PHE A 4 19.893 3.230 15.394 1.00 0.00 C ATOM 40 CG PHE A 4 20.046 3.847 16.763 1.00 0.00 C ATOM 41 CD1 PHE A 4 19.670 5.159 17.002 1.00 0.00 C ATOM 42 CD2 PHE A 4 20.575 3.109 17.809 1.00 0.00 C ATOM 43 CE1 PHE A 4 19.823 5.720 18.255 1.00 0.00 C ATOM 44 CE2 PHE A 4 20.727 3.667 19.063 1.00 0.00 C ATOM 45 CZ PHE A 4 20.351 4.973 19.285 1.00 0.00 C ATOM 46 H PHE A 4 21.055 6.062 14.602 1.00 0.00 H ATOM 47 HA PHE A 4 21.137 3.403 13.647 1.00 0.00 H ATOM 48 HB2 PHE A 4 18.837 3.100 15.213 1.00 0.00 H ATOM 49 HB3 PHE A 4 20.364 2.257 15.414 1.00 0.00 H ATOM 50 HD1 PHE A 4 19.256 5.747 16.197 1.00 0.00 H ATOM 51 HD2 PHE A 4 20.870 2.085 17.638 1.00 0.00 H ATOM 52 HE1 PHE A 4 19.528 6.741 18.428 1.00 0.00 H ATOM 53 HE2 PHE A 4 21.141 3.082 19.869 1.00 0.00 H ATOM 54 HZ PHE A 4 20.472 5.412 20.263 1.00 0.00 H ATOM 55 N THR A 5 19.815 5.358 12.305 1.00 0.00 N ATOM 56 CA THR A 5 18.879 5.960 11.354 1.00 0.00 C ATOM 57 C THR A 5 19.442 5.930 9.930 1.00 0.00 C ATOM 58 O THR A 5 19.364 6.920 9.197 1.00 0.00 O ATOM 59 CB THR A 5 18.551 7.423 11.732 1.00 0.00 C ATOM 60 OG1 THR A 5 19.753 8.207 11.768 1.00 0.00 O ATOM 61 CG2 THR A 5 17.852 7.500 13.084 1.00 0.00 C ATOM 62 H THR A 5 20.776 5.517 12.188 1.00 0.00 H ATOM 63 HA THR A 5 17.962 5.387 11.380 1.00 0.00 H ATOM 64 HB THR A 5 17.890 7.830 10.980 1.00 0.00 H ATOM 65 HG1 THR A 5 20.302 7.924 12.502 1.00 0.00 H ATOM 66 HG21 THR A 5 17.650 8.534 13.324 1.00 0.00 H ATOM 67 HG22 THR A 5 18.487 7.072 13.844 1.00 0.00 H ATOM 68 HG23 THR A 5 16.922 6.953 13.040 1.00 0.00 H ATOM 69 N GLY A 6 20.004 4.783 9.541 1.00 0.00 N ATOM 70 CA GLY A 6 20.563 4.642 8.204 1.00 0.00 C ATOM 71 C GLY A 6 19.498 4.723 7.125 1.00 0.00 C ATOM 72 O GLY A 6 19.683 5.398 6.110 1.00 0.00 O ATOM 73 H GLY A 6 20.033 4.026 10.162 1.00 0.00 H ATOM 74 HA2 GLY A 6 21.286 5.429 8.045 1.00 0.00 H ATOM 75 HA3 GLY A 6 21.063 3.687 8.131 1.00 0.00 H ATOM 76 N LYS A 7 18.373 4.043 7.358 1.00 0.00 N ATOM 77 CA LYS A 7 17.253 4.040 6.414 1.00 0.00 C ATOM 78 C LYS A 7 16.265 5.185 6.696 1.00 0.00 C ATOM 79 O LYS A 7 15.094 5.110 6.322 1.00 0.00 O ATOM 80 CB LYS A 7 16.535 2.676 6.449 1.00 0.00 C ATOM 81 CG LYS A 7 16.259 2.136 7.854 1.00 0.00 C ATOM 82 CD LYS A 7 15.356 3.061 8.658 1.00 0.00 C ATOM 83 CE LYS A 7 13.938 3.080 8.108 1.00 0.00 C ATOM 84 NZ LYS A 7 13.343 4.410 8.179 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.290 3.538 8.194 1.00 0.00 H ATOM 86 HA LYS A 7 17.665 4.186 5.426 1.00 0.00 H ATOM 87 HB2 LYS A 7 15.591 2.769 5.935 1.00 0.00 H ATOM 88 HB3 LYS A 7 17.144 1.954 5.926 1.00 0.00 H ATOM 89 HG2 LYS A 7 15.781 1.172 7.770 1.00 0.00 H ATOM 90 HG3 LYS A 7 17.199 2.025 8.375 1.00 0.00 H ATOM 91 HD2 LYS A 7 15.327 2.717 9.680 1.00 0.00 H ATOM 92 HD3 LYS A 7 15.759 4.061 8.626 1.00 0.00 H ATOM 93 HE2 LYS A 7 13.958 2.763 7.076 1.00 0.00 H ATOM 94 HE3 LYS A 7 13.332 2.393 8.682 1.00 0.00 H ATOM 95 HZ1 LYS A 7 13.941 5.163 8.369 1.00 0.00 H ATOM 96 N ARG A 8 16.750 6.250 7.348 1.00 0.00 N ATOM 97 CA ARG A 8 15.922 7.412 7.680 1.00 0.00 C ATOM 98 C ARG A 8 15.297 8.040 6.433 1.00 0.00 C ATOM 99 O ARG A 8 14.166 8.513 6.475 1.00 0.00 O ATOM 100 CB ARG A 8 16.761 8.470 8.409 1.00 0.00 C ATOM 101 CG ARG A 8 15.955 9.672 8.885 1.00 0.00 C ATOM 102 CD ARG A 8 16.843 10.882 9.153 1.00 0.00 C ATOM 103 NE ARG A 8 17.909 10.605 10.118 1.00 0.00 N ATOM 104 CZ ARG A 8 18.845 11.492 10.468 1.00 0.00 C ATOM 105 NH1 ARG A 8 18.829 12.726 9.967 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 19.796 11.146 11.328 1.00 0.00 N ATOM 107 H ARG A 8 17.692 6.258 7.610 1.00 0.00 H ATOM 108 HA ARG A 8 15.132 7.079 8.336 1.00 0.00 H ATOM 109 HB2 ARG A 8 17.225 8.012 9.269 1.00 0.00 H ATOM 110 HB3 ARG A 8 17.533 8.822 7.739 1.00 0.00 H ATOM 111 HG2 ARG A 8 15.234 9.933 8.126 1.00 0.00 H ATOM 112 HG3 ARG A 8 15.439 9.407 9.796 1.00 0.00 H ATOM 113 HD2 ARG A 8 17.291 11.190 8.222 1.00 0.00 H ATOM 114 HD3 ARG A 8 16.228 11.684 9.534 1.00 0.00 H ATOM 115 HE ARG A 8 17.935 9.713 10.518 1.00 0.00 H ATOM 116 HH11 ARG A 8 18.114 12.999 9.325 1.00 0.00 H ATOM 117 HH12 ARG A 8 19.536 13.381 10.234 1.00 0.00 H ATOM 118 HH21 ARG A 8 19.812 10.223 11.713 1.00 0.00 H ATOM 119 HH22 ARG A 8 20.501 11.808 11.590 1.00 0.00 H ATOM 120 N LYS A 9 16.055 8.063 5.338 1.00 0.00 N ATOM 121 CA LYS A 9 15.596 8.658 4.079 1.00 0.00 C ATOM 122 C LYS A 9 14.165 8.222 3.725 1.00 0.00 C ATOM 123 O LYS A 9 13.278 9.062 3.529 1.00 0.00 O ATOM 124 CB LYS A 9 16.560 8.267 2.951 1.00 0.00 C ATOM 125 CG LYS A 9 16.416 9.099 1.689 1.00 0.00 C ATOM 126 CD LYS A 9 16.811 10.548 1.926 1.00 0.00 C ATOM 127 CE LYS A 9 16.915 11.322 0.618 1.00 0.00 C ATOM 128 NZ LYS A 9 17.983 10.779 -0.270 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.959 7.684 5.381 1.00 0.00 H ATOM 130 HA LYS A 9 15.612 9.728 4.195 1.00 0.00 H ATOM 131 HB2 LYS A 9 17.572 8.372 3.309 1.00 0.00 H ATOM 132 HB3 LYS A 9 16.389 7.232 2.693 1.00 0.00 H ATOM 133 HG2 LYS A 9 17.053 8.683 0.921 1.00 0.00 H ATOM 134 HG3 LYS A 9 15.387 9.064 1.361 1.00 0.00 H ATOM 135 HD2 LYS A 9 16.064 11.018 2.552 1.00 0.00 H ATOM 136 HD3 LYS A 9 17.769 10.574 2.426 1.00 0.00 H ATOM 137 HE2 LYS A 9 15.967 11.260 0.103 1.00 0.00 H ATOM 138 HE3 LYS A 9 17.135 12.355 0.842 1.00 0.00 H ATOM 139 HZ1 LYS A 9 18.797 10.457 0.297 1.00 0.00 H ATOM 140 HZ2 LYS A 9 18.307 11.512 -0.930 1.00 0.00 H ATOM 141 HZ3 LYS A 9 17.618 9.973 -0.817 1.00 0.00 H ATOM 142 N SER A 10 13.954 6.906 3.647 1.00 0.00 N ATOM 143 CA SER A 10 12.644 6.343 3.309 1.00 0.00 C ATOM 144 C SER A 10 11.597 6.629 4.387 1.00 0.00 C ATOM 145 O SER A 10 10.477 7.036 4.075 1.00 0.00 O ATOM 146 CB SER A 10 12.757 4.831 3.090 1.00 0.00 C ATOM 147 OG SER A 10 11.524 4.284 2.650 1.00 0.00 O ATOM 148 H SER A 10 14.704 6.298 3.814 1.00 0.00 H ATOM 149 HA SER A 10 12.318 6.800 2.388 1.00 0.00 H ATOM 150 HB2 SER A 10 13.511 4.630 2.345 1.00 0.00 H ATOM 151 HB3 SER A 10 13.033 4.355 4.019 1.00 0.00 H ATOM 152 HG SER A 10 11.680 3.435 2.230 1.00 0.00 H ATOM 153 N ASP A 11 11.957 6.398 5.651 1.00 0.00 N ATOM 154 CA ASP A 11 11.031 6.617 6.768 1.00 0.00 C ATOM 155 C ASP A 11 10.652 8.089 6.904 1.00 0.00 C ATOM 156 O ASP A 11 9.488 8.413 7.141 1.00 0.00 O ATOM 157 CB ASP A 11 11.634 6.108 8.079 1.00 0.00 C ATOM 158 CG ASP A 11 12.052 4.655 7.984 1.00 0.00 C ATOM 159 OD1 ASP A 11 11.230 3.775 7.723 1.00 0.00 O ATOM 160 H ASP A 11 12.858 6.062 5.835 1.00 0.00 H ATOM 161 HA ASP A 11 10.135 6.053 6.559 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.502 6.701 8.326 1.00 0.00 H ATOM 163 HB3 ASP A 11 10.901 6.202 8.866 1.00 0.00 H ATOM 164 N ARG A 12 11.639 8.977 6.752 1.00 0.00 N ATOM 165 CA ARG A 12 11.404 10.417 6.856 1.00 0.00 C ATOM 166 C ARG A 12 10.302 10.843 5.891 1.00 0.00 C ATOM 167 O ARG A 12 9.345 11.511 6.284 1.00 0.00 O ATOM 168 CB ARG A 12 12.682 11.208 6.555 1.00 0.00 C ATOM 169 CG ARG A 12 12.582 12.682 6.928 1.00 0.00 C ATOM 170 CD ARG A 12 13.376 13.565 5.976 1.00 0.00 C ATOM 171 NE ARG A 12 14.761 13.119 5.817 1.00 0.00 N ATOM 172 CZ ARG A 12 15.691 13.194 6.772 1.00 0.00 C ATOM 173 NH1 ARG A 12 15.405 13.715 7.963 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 16.922 12.752 6.526 1.00 0.00 N ATOM 175 H ARG A 12 12.543 8.653 6.563 1.00 0.00 H ATOM 176 HA ARG A 12 11.088 10.627 7.862 1.00 0.00 H ATOM 177 HB2 ARG A 12 13.501 10.773 7.111 1.00 0.00 H ATOM 178 HB3 ARG A 12 12.896 11.139 5.500 1.00 0.00 H ATOM 179 HG2 ARG A 12 11.545 12.981 6.897 1.00 0.00 H ATOM 180 HG3 ARG A 12 12.963 12.815 7.931 1.00 0.00 H ATOM 181 HD2 ARG A 12 12.895 13.553 5.011 1.00 0.00 H ATOM 182 HD3 ARG A 12 13.376 14.574 6.362 1.00 0.00 H ATOM 183 HE ARG A 12 15.011 12.738 4.949 1.00 0.00 H ATOM 184 HH11 ARG A 12 14.486 14.056 8.155 1.00 0.00 H ATOM 185 HH12 ARG A 12 16.111 13.763 8.670 1.00 0.00 H ATOM 186 HH21 ARG A 12 17.144 12.363 5.631 1.00 0.00 H ATOM 187 HH22 ARG A 12 17.625 12.810 7.233 1.00 0.00 H ATOM 188 N LYS A 13 10.445 10.437 4.629 1.00 0.00 N ATOM 189 CA LYS A 13 9.456 10.758 3.600 1.00 0.00 C ATOM 190 C LYS A 13 8.150 9.986 3.834 1.00 0.00 C ATOM 191 O LYS A 13 7.064 10.485 3.534 1.00 0.00 O ATOM 192 CB LYS A 13 10.002 10.435 2.202 1.00 0.00 C ATOM 193 CG LYS A 13 11.279 11.180 1.824 1.00 0.00 C ATOM 194 CD LYS A 13 11.069 12.685 1.733 1.00 0.00 C ATOM 195 CE LYS A 13 11.173 13.357 3.093 1.00 0.00 C ATOM 196 NZ LYS A 13 11.050 14.837 2.988 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.229 9.896 4.385 1.00 0.00 H ATOM 198 HA LYS A 13 9.247 11.814 3.660 1.00 0.00 H ATOM 199 HB2 LYS A 13 10.206 9.377 2.149 1.00 0.00 H ATOM 200 HB3 LYS A 13 9.243 10.680 1.475 1.00 0.00 H ATOM 201 HG2 LYS A 13 12.032 10.979 2.571 1.00 0.00 H ATOM 202 HG3 LYS A 13 11.620 10.816 0.866 1.00 0.00 H ATOM 203 HD2 LYS A 13 11.817 13.104 1.080 1.00 0.00 H ATOM 204 HD3 LYS A 13 10.086 12.875 1.324 1.00 0.00 H ATOM 205 HE2 LYS A 13 10.388 12.987 3.731 1.00 0.00 H ATOM 206 HE3 LYS A 13 12.131 13.116 3.525 1.00 0.00 H ATOM 207 HZ1 LYS A 13 11.339 15.283 3.882 1.00 0.00 H ATOM 208 HZ2 LYS A 13 10.066 15.100 2.784 1.00 0.00 H ATOM 209 HZ3 LYS A 13 11.659 15.192 2.223 1.00 0.00 H ATOM 210 N LYS A 14 8.272 8.757 4.347 1.00 0.00 N ATOM 211 CA LYS A 14 7.115 7.894 4.601 1.00 0.00 C ATOM 212 C LYS A 14 6.168 8.455 5.671 1.00 0.00 C ATOM 213 O LYS A 14 4.948 8.358 5.521 1.00 0.00 O ATOM 214 CB LYS A 14 7.575 6.486 5.004 1.00 0.00 C ATOM 215 CG LYS A 14 6.421 5.544 5.316 1.00 0.00 C ATOM 216 CD LYS A 14 5.498 5.371 4.116 1.00 0.00 C ATOM 217 CE LYS A 14 4.121 4.881 4.536 1.00 0.00 C ATOM 218 NZ LYS A 14 3.417 5.872 5.352 1.00 0.00 N1+ ATOM 219 H LYS A 14 9.168 8.414 4.546 1.00 0.00 H ATOM 220 HA LYS A 14 6.567 7.819 3.676 1.00 0.00 H ATOM 221 HB2 LYS A 14 8.152 6.060 4.197 1.00 0.00 H ATOM 222 HB3 LYS A 14 8.199 6.560 5.882 1.00 0.00 H ATOM 223 HG2 LYS A 14 6.822 4.580 5.591 1.00 0.00 H ATOM 224 HG3 LYS A 14 5.856 5.949 6.141 1.00 0.00 H ATOM 225 HD2 LYS A 14 5.391 6.322 3.615 1.00 0.00 H ATOM 226 HD3 LYS A 14 5.935 4.654 3.438 1.00 0.00 H ATOM 227 HE2 LYS A 14 3.539 4.680 3.648 1.00 0.00 H ATOM 228 HE3 LYS A 14 4.233 3.971 5.106 1.00 0.00 H ATOM 229 HZ1 LYS A 14 3.949 6.387 5.994 1.00 0.00 H ATOM 230 N LYS A 15 6.718 9.025 6.751 1.00 0.00 N ATOM 231 CA LYS A 15 5.885 9.574 7.831 1.00 0.00 C ATOM 232 C LYS A 15 4.833 10.529 7.279 1.00 0.00 C ATOM 233 O LYS A 15 3.661 10.461 7.653 1.00 0.00 O ATOM 234 CB LYS A 15 6.727 10.307 8.880 1.00 0.00 C ATOM 235 CG LYS A 15 7.668 9.409 9.664 1.00 0.00 C ATOM 236 CD LYS A 15 8.208 10.112 10.906 1.00 0.00 C ATOM 237 CE LYS A 15 8.819 11.468 10.576 1.00 0.00 C ATOM 238 NZ LYS A 15 9.932 11.356 9.596 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.691 9.072 6.824 1.00 0.00 H ATOM 240 HA LYS A 15 5.381 8.746 8.304 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.320 11.061 8.383 1.00 0.00 H ATOM 242 HB3 LYS A 15 6.062 10.792 9.580 1.00 0.00 H ATOM 243 HG2 LYS A 15 7.132 8.522 9.970 1.00 0.00 H ATOM 244 HG3 LYS A 15 8.496 9.131 9.032 1.00 0.00 H ATOM 245 HD2 LYS A 15 7.398 10.259 11.605 1.00 0.00 H ATOM 246 HD3 LYS A 15 8.964 9.488 11.359 1.00 0.00 H ATOM 247 HE2 LYS A 15 8.052 12.104 10.161 1.00 0.00 H ATOM 248 HE3 LYS A 15 9.195 11.909 11.487 1.00 0.00 H ATOM 249 HZ1 LYS A 15 9.559 11.385 8.626 1.00 0.00 H ATOM 250 HZ2 LYS A 15 10.441 10.458 9.732 1.00 0.00 H ATOM 251 HZ3 LYS A 15 10.600 12.143 9.722 1.00 0.00 H ATOM 252 N ASN A 16 5.265 11.410 6.381 1.00 0.00 N ATOM 253 CA ASN A 16 4.371 12.383 5.760 1.00 0.00 C ATOM 254 C ASN A 16 3.456 11.711 4.733 1.00 0.00 C ATOM 255 O ASN A 16 2.304 12.112 4.568 1.00 0.00 O ATOM 256 CB ASN A 16 5.173 13.507 5.093 1.00 0.00 C ATOM 257 CG ASN A 16 6.131 14.190 6.056 1.00 0.00 C ATOM 258 OD1 ASN A 16 7.110 13.593 6.505 1.00 0.00 O ATOM 259 ND2 ASN A 16 5.849 15.447 6.384 1.00 0.00 N ATOM 260 H ASN A 16 6.213 11.400 6.126 1.00 0.00 H ATOM 261 HA ASN A 16 3.756 12.808 6.540 1.00 0.00 H ATOM 262 HB2 ASN A 16 5.747 13.095 4.277 1.00 0.00 H ATOM 263 HB3 ASN A 16 4.491 14.249 4.709 1.00 0.00 H ATOM 264 HD21 ASN A 16 5.049 15.860 5.995 1.00 0.00 H ATOM 265 HD22 ASN A 16 6.452 15.909 7.002 1.00 0.00 H ATOM 266 N GLN A 17 3.979 10.694 4.040 1.00 0.00 N ATOM 267 CA GLN A 17 3.213 9.970 3.021 1.00 0.00 C ATOM 268 C GLN A 17 2.314 8.882 3.645 1.00 0.00 C ATOM 269 O GLN A 17 2.181 7.786 3.095 1.00 0.00 O ATOM 270 CB GLN A 17 4.177 9.342 2.003 1.00 0.00 C ATOM 271 CG GLN A 17 3.691 9.409 0.559 1.00 0.00 C ATOM 272 CD GLN A 17 2.326 8.777 0.356 1.00 0.00 C ATOM 273 OE1 GLN A 17 1.314 9.290 0.835 1.00 0.00 O ATOM 274 NE2 GLN A 17 2.289 7.652 -0.349 1.00 0.00 N ATOM 275 H GLN A 17 4.906 10.427 4.214 1.00 0.00 H ATOM 276 HA GLN A 17 2.585 10.685 2.511 1.00 0.00 H ATOM 277 HB2 GLN A 17 5.125 9.855 2.061 1.00 0.00 H ATOM 278 HB3 GLN A 17 4.328 8.303 2.259 1.00 0.00 H ATOM 279 HG2 GLN A 17 3.634 10.446 0.263 1.00 0.00 H ATOM 280 HG3 GLN A 17 4.405 8.899 -0.068 1.00 0.00 H ATOM 281 HE21 GLN A 17 3.133 7.294 -0.696 1.00 0.00 H ATOM 282 HE22 GLN A 17 1.419 7.227 -0.495 1.00 0.00 H ATOM 283 N ASP A 18 1.685 9.203 4.782 1.00 0.00 N ATOM 284 CA ASP A 18 0.786 8.275 5.479 1.00 0.00 C ATOM 285 C ASP A 18 -0.084 9.027 6.486 1.00 0.00 C ATOM 286 O ASP A 18 -1.310 9.032 6.378 1.00 0.00 O ATOM 287 CB ASP A 18 1.565 7.171 6.208 1.00 0.00 C ATOM 288 CG ASP A 18 2.111 6.105 5.273 1.00 0.00 C ATOM 289 OD1 ASP A 18 1.365 5.500 4.503 1.00 0.00 O ATOM 290 H ASP A 18 1.820 10.094 5.159 1.00 0.00 H ATOM 291 HA ASP A 18 0.142 7.822 4.739 1.00 0.00 H ATOM 292 HB2 ASP A 18 2.397 7.615 6.733 1.00 0.00 H ATOM 293 HB3 ASP A 18 0.911 6.693 6.924 1.00 0.00 H HETATM 294 N NH2 A 19 0.551 9.667 7.466 1.00 0.00 N HETATM 295 HN1 NH2 A 19 1.529 9.622 7.493 1.00 0.00 H HETATM 296 HN2 NH2 A 19 0.012 10.158 8.122 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 13 ATOM 1 N PHE A 1 31.052 10.239 13.803 1.00 0.00 N ATOM 2 CA PHE A 1 30.240 11.274 14.436 1.00 0.00 C ATOM 3 C PHE A 1 28.900 11.438 13.713 1.00 0.00 C ATOM 4 O PHE A 1 27.864 11.620 14.353 1.00 0.00 O ATOM 5 CB PHE A 1 31.004 12.608 14.471 1.00 0.00 C ATOM 6 CG PHE A 1 31.280 13.205 13.115 1.00 0.00 C ATOM 7 CD1 PHE A 1 30.280 13.864 12.413 1.00 0.00 C ATOM 8 CD2 PHE A 1 32.541 13.117 12.548 1.00 0.00 C ATOM 9 CE1 PHE A 1 30.533 14.417 11.172 1.00 0.00 C ATOM 10 CE2 PHE A 1 32.801 13.670 11.307 1.00 0.00 C ATOM 11 CZ PHE A 1 31.795 14.319 10.619 1.00 0.00 C ATOM 12 H1 PHE A 1 30.739 9.309 13.813 1.00 0.00 H ATOM 13 HA PHE A 1 30.046 10.958 15.450 1.00 0.00 H ATOM 14 HB2 PHE A 1 30.427 13.326 15.035 1.00 0.00 H ATOM 15 HB3 PHE A 1 31.952 12.455 14.965 1.00 0.00 H ATOM 16 HD1 PHE A 1 29.292 13.943 12.843 1.00 0.00 H ATOM 17 HD2 PHE A 1 33.328 12.606 13.083 1.00 0.00 H ATOM 18 HE1 PHE A 1 29.745 14.926 10.636 1.00 0.00 H ATOM 19 HE2 PHE A 1 33.789 13.595 10.877 1.00 0.00 H ATOM 20 HZ PHE A 1 31.994 14.752 9.648 1.00 0.00 H ATOM 21 N GLY A 2 28.934 11.376 12.379 1.00 0.00 N ATOM 22 CA GLY A 2 27.725 11.522 11.585 1.00 0.00 C ATOM 23 C GLY A 2 26.988 10.211 11.392 1.00 0.00 C ATOM 24 O GLY A 2 26.739 9.801 10.257 1.00 0.00 O ATOM 25 H GLY A 2 29.792 11.230 11.928 1.00 0.00 H ATOM 26 HA2 GLY A 2 27.066 12.223 12.078 1.00 0.00 H ATOM 27 HA3 GLY A 2 27.991 11.919 10.616 1.00 0.00 H ATOM 28 N GLY A 3 26.645 9.551 12.499 1.00 0.00 N ATOM 29 CA GLY A 3 25.936 8.282 12.434 1.00 0.00 C ATOM 30 C GLY A 3 24.546 8.413 11.837 1.00 0.00 C ATOM 31 O GLY A 3 24.400 8.599 10.627 1.00 0.00 O ATOM 32 H GLY A 3 26.875 9.930 13.372 1.00 0.00 H ATOM 33 HA2 GLY A 3 26.510 7.596 11.828 1.00 0.00 H ATOM 34 HA3 GLY A 3 25.851 7.878 13.432 1.00 0.00 H ATOM 35 N PHE A 4 23.525 8.309 12.692 1.00 0.00 N ATOM 36 CA PHE A 4 22.127 8.409 12.261 1.00 0.00 C ATOM 37 C PHE A 4 21.705 7.192 11.439 1.00 0.00 C ATOM 38 O PHE A 4 22.450 6.709 10.583 1.00 0.00 O ATOM 39 CB PHE A 4 21.890 9.701 11.467 1.00 0.00 C ATOM 40 CG PHE A 4 21.194 10.778 12.256 1.00 0.00 C ATOM 41 CD1 PHE A 4 21.564 11.056 13.565 1.00 0.00 C ATOM 42 CD2 PHE A 4 20.161 11.507 11.689 1.00 0.00 C ATOM 43 CE1 PHE A 4 20.916 12.042 14.288 1.00 0.00 C ATOM 44 CE2 PHE A 4 19.512 12.495 12.408 1.00 0.00 C ATOM 45 CZ PHE A 4 19.890 12.761 13.709 1.00 0.00 C ATOM 46 H PHE A 4 23.714 8.156 13.640 1.00 0.00 H ATOM 47 HA PHE A 4 21.518 8.438 13.152 1.00 0.00 H ATOM 48 HB2 PHE A 4 22.842 10.095 11.141 1.00 0.00 H ATOM 49 HB3 PHE A 4 21.284 9.477 10.600 1.00 0.00 H ATOM 50 HD1 PHE A 4 22.367 10.496 14.019 1.00 0.00 H ATOM 51 HD2 PHE A 4 19.863 11.301 10.672 1.00 0.00 H ATOM 52 HE1 PHE A 4 21.213 12.248 15.307 1.00 0.00 H ATOM 53 HE2 PHE A 4 18.709 13.055 11.952 1.00 0.00 H ATOM 54 HZ PHE A 4 19.382 13.530 14.272 1.00 0.00 H ATOM 55 N THR A 5 20.500 6.697 11.723 1.00 0.00 N ATOM 56 CA THR A 5 19.952 5.530 11.036 1.00 0.00 C ATOM 57 C THR A 5 19.790 5.779 9.539 1.00 0.00 C ATOM 58 O THR A 5 19.272 6.817 9.123 1.00 0.00 O ATOM 59 CB THR A 5 18.583 5.130 11.631 1.00 0.00 C ATOM 60 OG1 THR A 5 18.723 4.828 13.025 1.00 0.00 O ATOM 61 CG2 THR A 5 17.991 3.927 10.906 1.00 0.00 C ATOM 62 H THR A 5 19.964 7.127 12.422 1.00 0.00 H ATOM 63 HA THR A 5 20.636 4.706 11.180 1.00 0.00 H ATOM 64 HB THR A 5 17.905 5.965 11.520 1.00 0.00 H ATOM 65 HG1 THR A 5 19.311 4.077 13.135 1.00 0.00 H ATOM 66 HG21 THR A 5 17.394 4.267 10.074 1.00 0.00 H ATOM 67 HG22 THR A 5 17.369 3.367 11.589 1.00 0.00 H ATOM 68 HG23 THR A 5 18.788 3.294 10.546 1.00 0.00 H ATOM 69 N GLY A 6 20.227 4.809 8.738 1.00 0.00 N ATOM 70 CA GLY A 6 20.113 4.919 7.292 1.00 0.00 C ATOM 71 C GLY A 6 18.664 4.958 6.835 1.00 0.00 C ATOM 72 O GLY A 6 18.313 5.726 5.938 1.00 0.00 O ATOM 73 H GLY A 6 20.621 4.005 9.133 1.00 0.00 H ATOM 74 HA2 GLY A 6 20.610 5.822 6.970 1.00 0.00 H ATOM 75 HA3 GLY A 6 20.601 4.069 6.837 1.00 0.00 H ATOM 76 N LYS A 7 17.822 4.126 7.461 1.00 0.00 N ATOM 77 CA LYS A 7 16.398 4.059 7.126 1.00 0.00 C ATOM 78 C LYS A 7 15.686 5.394 7.393 1.00 0.00 C ATOM 79 O LYS A 7 14.616 5.640 6.838 1.00 0.00 O ATOM 80 CB LYS A 7 15.702 2.944 7.916 1.00 0.00 C ATOM 81 CG LYS A 7 14.272 2.679 7.458 1.00 0.00 C ATOM 82 CD LYS A 7 13.437 2.025 8.548 1.00 0.00 C ATOM 83 CE LYS A 7 13.339 2.909 9.786 1.00 0.00 C ATOM 84 NZ LYS A 7 12.942 4.284 9.462 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.170 3.543 8.169 1.00 0.00 H ATOM 86 HA LYS A 7 16.323 3.836 6.072 1.00 0.00 H ATOM 87 HB2 LYS A 7 16.268 2.031 7.802 1.00 0.00 H ATOM 88 HB3 LYS A 7 15.680 3.217 8.960 1.00 0.00 H ATOM 89 HG2 LYS A 7 13.812 3.615 7.185 1.00 0.00 H ATOM 90 HG3 LYS A 7 14.297 2.025 6.598 1.00 0.00 H ATOM 91 HD2 LYS A 7 12.442 1.844 8.168 1.00 0.00 H ATOM 92 HD3 LYS A 7 13.895 1.087 8.822 1.00 0.00 H ATOM 93 HE2 LYS A 7 12.610 2.484 10.458 1.00 0.00 H ATOM 94 HE3 LYS A 7 14.303 2.929 10.272 1.00 0.00 H ATOM 95 HZ1 LYS A 7 13.610 4.987 9.597 1.00 0.00 H ATOM 96 N ARG A 8 16.279 6.247 8.242 1.00 0.00 N ATOM 97 CA ARG A 8 15.699 7.554 8.576 1.00 0.00 C ATOM 98 C ARG A 8 15.142 8.237 7.330 1.00 0.00 C ATOM 99 O ARG A 8 14.077 8.854 7.367 1.00 0.00 O ATOM 100 CB ARG A 8 16.761 8.457 9.214 1.00 0.00 C ATOM 101 CG ARG A 8 16.262 9.855 9.542 1.00 0.00 C ATOM 102 CD ARG A 8 17.414 10.828 9.758 1.00 0.00 C ATOM 103 NE ARG A 8 18.272 10.960 8.574 1.00 0.00 N ATOM 104 CZ ARG A 8 17.856 11.390 7.372 1.00 0.00 C ATOM 105 NH1 ARG A 8 16.598 11.784 7.183 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 18.710 11.445 6.358 1.00 0.00 N ATOM 107 H ARG A 8 17.130 5.996 8.649 1.00 0.00 H ATOM 108 HA ARG A 8 14.898 7.396 9.281 1.00 0.00 H ATOM 109 HB2 ARG A 8 17.104 7.998 10.129 1.00 0.00 H ATOM 110 HB3 ARG A 8 17.595 8.546 8.533 1.00 0.00 H ATOM 111 HG2 ARG A 8 15.651 10.207 8.728 1.00 0.00 H ATOM 112 HG3 ARG A 8 15.670 9.811 10.443 1.00 0.00 H ATOM 113 HD2 ARG A 8 17.009 11.797 10.006 1.00 0.00 H ATOM 114 HD3 ARG A 8 18.013 10.470 10.583 1.00 0.00 H ATOM 115 HE ARG A 8 19.214 10.704 8.675 1.00 0.00 H ATOM 116 HH11 ARG A 8 15.946 11.765 7.936 1.00 0.00 H ATOM 117 HH12 ARG A 8 16.304 12.097 6.279 1.00 0.00 H ATOM 118 HH21 ARG A 8 19.662 11.165 6.487 1.00 0.00 H ATOM 119 HH22 ARG A 8 18.402 11.765 5.460 1.00 0.00 H ATOM 120 N LYS A 9 15.882 8.111 6.231 1.00 0.00 N ATOM 121 CA LYS A 9 15.483 8.704 4.952 1.00 0.00 C ATOM 122 C LYS A 9 14.139 8.141 4.489 1.00 0.00 C ATOM 123 O LYS A 9 13.215 8.890 4.160 1.00 0.00 O ATOM 124 CB LYS A 9 16.552 8.427 3.886 1.00 0.00 C ATOM 125 CG LYS A 9 17.930 8.975 4.232 1.00 0.00 C ATOM 126 CD LYS A 9 18.979 8.548 3.212 1.00 0.00 C ATOM 127 CE LYS A 9 18.646 9.047 1.811 1.00 0.00 C ATOM 128 NZ LYS A 9 18.643 10.536 1.732 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.719 7.600 6.281 1.00 0.00 H ATOM 130 HA LYS A 9 15.390 9.770 5.091 1.00 0.00 H ATOM 131 HB2 LYS A 9 16.640 7.359 3.749 1.00 0.00 H ATOM 132 HB3 LYS A 9 16.236 8.873 2.955 1.00 0.00 H ATOM 133 HG2 LYS A 9 17.881 10.052 4.251 1.00 0.00 H ATOM 134 HG3 LYS A 9 18.218 8.609 5.205 1.00 0.00 H ATOM 135 HD2 LYS A 9 19.936 8.955 3.505 1.00 0.00 H ATOM 136 HD3 LYS A 9 19.036 7.471 3.197 1.00 0.00 H ATOM 137 HE2 LYS A 9 19.380 8.661 1.121 1.00 0.00 H ATOM 138 HE3 LYS A 9 17.669 8.678 1.535 1.00 0.00 H ATOM 139 HZ1 LYS A 9 18.912 10.845 0.775 1.00 0.00 H ATOM 140 HZ2 LYS A 9 19.321 10.933 2.415 1.00 0.00 H ATOM 141 HZ3 LYS A 9 17.697 10.903 1.951 1.00 0.00 H ATOM 142 N SER A 10 14.048 6.812 4.466 1.00 0.00 N ATOM 143 CA SER A 10 12.838 6.111 4.040 1.00 0.00 C ATOM 144 C SER A 10 11.679 6.306 5.024 1.00 0.00 C ATOM 145 O SER A 10 10.534 6.488 4.607 1.00 0.00 O ATOM 146 CB SER A 10 13.121 4.615 3.873 1.00 0.00 C ATOM 147 OG SER A 10 14.200 4.392 2.982 1.00 0.00 O ATOM 148 H SER A 10 14.827 6.283 4.741 1.00 0.00 H ATOM 149 HA SER A 10 12.546 6.516 3.085 1.00 0.00 H ATOM 150 HB2 SER A 10 13.369 4.188 4.834 1.00 0.00 H ATOM 151 HB3 SER A 10 12.242 4.128 3.480 1.00 0.00 H ATOM 152 HG SER A 10 14.960 4.068 3.476 1.00 0.00 H ATOM 153 N ASP A 11 11.974 6.245 6.326 1.00 0.00 N ATOM 154 CA ASP A 11 10.943 6.394 7.353 1.00 0.00 C ATOM 155 C ASP A 11 10.300 7.778 7.334 1.00 0.00 C ATOM 156 O ASP A 11 9.074 7.890 7.362 1.00 0.00 O ATOM 157 CB ASP A 11 11.510 6.108 8.750 1.00 0.00 C ATOM 158 CG ASP A 11 11.733 4.627 9.012 1.00 0.00 C ATOM 159 OD1 ASP A 11 10.828 3.811 8.832 1.00 0.00 O ATOM 160 H ASP A 11 12.900 6.086 6.599 1.00 0.00 H ATOM 161 HA ASP A 11 10.177 5.666 7.143 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.456 6.616 8.854 1.00 0.00 H ATOM 163 HB3 ASP A 11 10.821 6.486 9.492 1.00 0.00 H ATOM 164 N ARG A 12 11.120 8.827 7.298 1.00 0.00 N ATOM 165 CA ARG A 12 10.593 10.194 7.291 1.00 0.00 C ATOM 166 C ARG A 12 9.776 10.485 6.033 1.00 0.00 C ATOM 167 O ARG A 12 8.748 11.159 6.103 1.00 0.00 O ATOM 168 CB ARG A 12 11.702 11.239 7.455 1.00 0.00 C ATOM 169 CG ARG A 12 11.585 12.009 8.763 1.00 0.00 C ATOM 170 CD ARG A 12 12.239 13.381 8.692 1.00 0.00 C ATOM 171 NE ARG A 12 13.697 13.333 8.801 1.00 0.00 N ATOM 172 CZ ARG A 12 14.467 14.425 8.835 1.00 0.00 C ATOM 173 NH1 ARG A 12 13.921 15.633 8.703 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 15.781 14.314 8.999 1.00 0.00 N ATOM 175 H ARG A 12 12.091 8.679 7.283 1.00 0.00 H ATOM 176 HA ARG A 12 9.926 10.275 8.136 1.00 0.00 H ATOM 177 HB2 ARG A 12 12.661 10.742 7.432 1.00 0.00 H ATOM 178 HB3 ARG A 12 11.645 11.943 6.638 1.00 0.00 H ATOM 179 HG2 ARG A 12 10.539 12.138 8.997 1.00 0.00 H ATOM 180 HG3 ARG A 12 12.058 11.435 9.545 1.00 0.00 H ATOM 181 HD2 ARG A 12 11.980 13.838 7.749 1.00 0.00 H ATOM 182 HD3 ARG A 12 11.851 13.986 9.499 1.00 0.00 H ATOM 183 HE ARG A 12 14.121 12.451 8.877 1.00 0.00 H ATOM 184 HH11 ARG A 12 12.932 15.729 8.579 1.00 0.00 H ATOM 185 HH12 ARG A 12 14.500 16.449 8.727 1.00 0.00 H ATOM 186 HH21 ARG A 12 16.198 13.412 9.100 1.00 0.00 H ATOM 187 HH22 ARG A 12 16.353 15.133 9.024 1.00 0.00 H ATOM 188 N LYS A 13 10.226 9.973 4.885 1.00 0.00 N ATOM 189 CA LYS A 13 9.510 10.183 3.625 1.00 0.00 C ATOM 190 C LYS A 13 8.148 9.482 3.642 1.00 0.00 C ATOM 191 O LYS A 13 7.179 9.979 3.067 1.00 0.00 O ATOM 192 CB LYS A 13 10.342 9.694 2.432 1.00 0.00 C ATOM 193 CG LYS A 13 11.502 10.613 2.067 1.00 0.00 C ATOM 194 CD LYS A 13 12.280 10.074 0.871 1.00 0.00 C ATOM 195 CE LYS A 13 13.349 11.053 0.405 1.00 0.00 C ATOM 196 NZ LYS A 13 14.151 10.506 -0.728 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.050 9.437 4.887 1.00 0.00 H ATOM 198 HA LYS A 13 9.344 11.245 3.521 1.00 0.00 H ATOM 199 HB2 LYS A 13 10.744 8.720 2.665 1.00 0.00 H ATOM 200 HB3 LYS A 13 9.696 9.609 1.571 1.00 0.00 H ATOM 201 HG2 LYS A 13 11.112 11.590 1.820 1.00 0.00 H ATOM 202 HG3 LYS A 13 12.167 10.692 2.914 1.00 0.00 H ATOM 203 HD2 LYS A 13 12.758 9.147 1.152 1.00 0.00 H ATOM 204 HD3 LYS A 13 11.592 9.893 0.057 1.00 0.00 H ATOM 205 HE2 LYS A 13 12.868 11.966 0.086 1.00 0.00 H ATOM 206 HE3 LYS A 13 14.010 11.267 1.231 1.00 0.00 H ATOM 207 HZ1 LYS A 13 14.413 9.518 -0.538 1.00 0.00 H ATOM 208 HZ2 LYS A 13 15.019 11.064 -0.853 1.00 0.00 H ATOM 209 HZ3 LYS A 13 13.598 10.544 -1.609 1.00 0.00 H ATOM 210 N LYS A 14 8.085 8.321 4.294 1.00 0.00 N ATOM 211 CA LYS A 14 6.840 7.551 4.370 1.00 0.00 C ATOM 212 C LYS A 14 5.821 8.173 5.333 1.00 0.00 C ATOM 213 O LYS A 14 4.665 8.383 4.960 1.00 0.00 O ATOM 214 CB LYS A 14 7.131 6.096 4.772 1.00 0.00 C ATOM 215 CG LYS A 14 5.888 5.295 5.142 1.00 0.00 C ATOM 216 CD LYS A 14 4.814 5.404 4.071 1.00 0.00 C ATOM 217 CE LYS A 14 3.495 4.808 4.533 1.00 0.00 C ATOM 218 NZ LYS A 14 2.360 5.592 4.051 1.00 0.00 N1+ ATOM 219 H LYS A 14 8.893 7.973 4.725 1.00 0.00 H ATOM 220 HA LYS A 14 6.407 7.550 3.382 1.00 0.00 H ATOM 221 HB2 LYS A 14 7.620 5.599 3.947 1.00 0.00 H ATOM 222 HB3 LYS A 14 7.798 6.099 5.623 1.00 0.00 H ATOM 223 HG2 LYS A 14 6.160 4.258 5.259 1.00 0.00 H ATOM 224 HG3 LYS A 14 5.493 5.673 6.076 1.00 0.00 H ATOM 225 HD2 LYS A 14 4.660 6.446 3.834 1.00 0.00 H ATOM 226 HD3 LYS A 14 5.147 4.880 3.187 1.00 0.00 H ATOM 227 HE2 LYS A 14 3.414 3.798 4.153 1.00 0.00 H ATOM 228 HE3 LYS A 14 3.477 4.789 5.613 1.00 0.00 H ATOM 229 HZ1 LYS A 14 2.087 5.469 3.117 1.00 0.00 H ATOM 230 N LYS A 15 6.239 8.455 6.569 1.00 0.00 N ATOM 231 CA LYS A 15 5.333 9.041 7.565 1.00 0.00 C ATOM 232 C LYS A 15 4.727 10.348 7.054 1.00 0.00 C ATOM 233 O LYS A 15 3.555 10.635 7.301 1.00 0.00 O ATOM 234 CB LYS A 15 6.042 9.277 8.907 1.00 0.00 C ATOM 235 CG LYS A 15 7.217 10.242 8.832 1.00 0.00 C ATOM 236 CD LYS A 15 7.581 10.799 10.203 1.00 0.00 C ATOM 237 CE LYS A 15 7.959 9.701 11.189 1.00 0.00 C ATOM 238 NZ LYS A 15 8.235 10.249 12.547 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.166 8.261 6.815 1.00 0.00 H ATOM 240 HA LYS A 15 4.528 8.334 7.716 1.00 0.00 H ATOM 241 HB2 LYS A 15 5.325 9.674 9.610 1.00 0.00 H ATOM 242 HB3 LYS A 15 6.405 8.329 9.279 1.00 0.00 H ATOM 243 HG2 LYS A 15 8.072 9.719 8.431 1.00 0.00 H ATOM 244 HG3 LYS A 15 6.958 11.060 8.180 1.00 0.00 H ATOM 245 HD2 LYS A 15 8.421 11.468 10.094 1.00 0.00 H ATOM 246 HD3 LYS A 15 6.735 11.344 10.594 1.00 0.00 H ATOM 247 HE2 LYS A 15 7.142 8.998 11.254 1.00 0.00 H ATOM 248 HE3 LYS A 15 8.842 9.196 10.827 1.00 0.00 H ATOM 249 HZ1 LYS A 15 7.537 10.981 12.789 1.00 0.00 H ATOM 250 HZ2 LYS A 15 9.185 10.669 12.577 1.00 0.00 H ATOM 251 HZ3 LYS A 15 8.182 9.490 13.257 1.00 0.00 H ATOM 252 N ASN A 16 5.532 11.131 6.338 1.00 0.00 N ATOM 253 CA ASN A 16 5.079 12.403 5.782 1.00 0.00 C ATOM 254 C ASN A 16 4.063 12.176 4.659 1.00 0.00 C ATOM 255 O ASN A 16 3.087 12.917 4.533 1.00 0.00 O ATOM 256 CB ASN A 16 6.279 13.204 5.263 1.00 0.00 C ATOM 257 CG ASN A 16 5.907 14.607 4.810 1.00 0.00 C ATOM 258 OD1 ASN A 16 5.090 14.788 3.905 1.00 0.00 O ATOM 259 ND2 ASN A 16 6.516 15.610 5.433 1.00 0.00 N ATOM 260 H ASN A 16 6.455 10.841 6.173 1.00 0.00 H ATOM 261 HA ASN A 16 4.601 12.958 6.575 1.00 0.00 H ATOM 262 HB2 ASN A 16 7.015 13.287 6.049 1.00 0.00 H ATOM 263 HB3 ASN A 16 6.717 12.681 4.424 1.00 0.00 H ATOM 264 HD21 ASN A 16 7.163 15.395 6.137 1.00 0.00 H ATOM 265 HD22 ASN A 16 6.294 16.525 5.162 1.00 0.00 H ATOM 266 N GLN A 17 4.312 11.151 3.840 1.00 0.00 N ATOM 267 CA GLN A 17 3.438 10.823 2.716 1.00 0.00 C ATOM 268 C GLN A 17 2.038 10.406 3.184 1.00 0.00 C ATOM 269 O GLN A 17 1.086 11.175 3.045 1.00 0.00 O ATOM 270 CB GLN A 17 4.080 9.721 1.867 1.00 0.00 C ATOM 271 CG GLN A 17 4.290 10.124 0.417 1.00 0.00 C ATOM 272 CD GLN A 17 5.145 9.134 -0.352 1.00 0.00 C ATOM 273 OE1 GLN A 17 6.304 8.898 -0.008 1.00 0.00 O ATOM 274 NE2 GLN A 17 4.578 8.548 -1.403 1.00 0.00 N ATOM 275 H GLN A 17 5.114 10.606 3.992 1.00 0.00 H ATOM 276 HA GLN A 17 3.343 11.710 2.111 1.00 0.00 H ATOM 277 HB2 GLN A 17 5.042 9.472 2.291 1.00 0.00 H ATOM 278 HB3 GLN A 17 3.449 8.845 1.889 1.00 0.00 H ATOM 279 HG2 GLN A 17 3.326 10.197 -0.065 1.00 0.00 H ATOM 280 HG3 GLN A 17 4.776 11.089 0.394 1.00 0.00 H ATOM 281 HE21 GLN A 17 3.652 8.781 -1.623 1.00 0.00 H ATOM 282 HE22 GLN A 17 5.112 7.909 -1.917 1.00 0.00 H ATOM 283 N ASP A 18 1.916 9.198 3.736 1.00 0.00 N ATOM 284 CA ASP A 18 0.622 8.706 4.220 1.00 0.00 C ATOM 285 C ASP A 18 0.331 9.178 5.647 1.00 0.00 C ATOM 286 O ASP A 18 -0.819 9.439 5.998 1.00 0.00 O ATOM 287 CB ASP A 18 0.533 7.174 4.131 1.00 0.00 C ATOM 288 CG ASP A 18 1.683 6.454 4.809 1.00 0.00 C ATOM 289 OD1 ASP A 18 1.955 6.661 5.994 1.00 0.00 O ATOM 290 H ASP A 18 2.709 8.630 3.822 1.00 0.00 H ATOM 291 HA ASP A 18 -0.135 9.126 3.572 1.00 0.00 H ATOM 292 HB2 ASP A 18 -0.385 6.849 4.597 1.00 0.00 H ATOM 293 HB3 ASP A 18 0.518 6.887 3.090 1.00 0.00 H HETATM 294 N NH2 A 19 1.367 9.287 6.477 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.262 9.064 6.142 1.00 0.00 H HETATM 296 HN2 NH2 A 19 1.192 9.587 7.394 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 14 ATOM 1 N PHE A 1 28.502 0.197 4.612 1.00 0.00 N ATOM 2 CA PHE A 1 28.717 1.187 5.662 1.00 0.00 C ATOM 3 C PHE A 1 28.304 0.624 7.027 1.00 0.00 C ATOM 4 O PHE A 1 27.331 -0.130 7.121 1.00 0.00 O ATOM 5 CB PHE A 1 27.924 2.463 5.357 1.00 0.00 C ATOM 6 CG PHE A 1 28.294 3.632 6.231 1.00 0.00 C ATOM 7 CD1 PHE A 1 29.595 4.111 6.254 1.00 0.00 C ATOM 8 CD2 PHE A 1 27.343 4.250 7.029 1.00 0.00 C ATOM 9 CE1 PHE A 1 29.941 5.182 7.055 1.00 0.00 C ATOM 10 CE2 PHE A 1 27.685 5.322 7.832 1.00 0.00 C ATOM 11 CZ PHE A 1 28.984 5.789 7.845 1.00 0.00 C ATOM 12 H1 PHE A 1 27.632 0.151 4.163 1.00 0.00 H ATOM 13 HA PHE A 1 29.771 1.423 5.683 1.00 0.00 H ATOM 14 HB2 PHE A 1 28.101 2.749 4.331 1.00 0.00 H ATOM 15 HB3 PHE A 1 26.872 2.265 5.493 1.00 0.00 H ATOM 16 HD1 PHE A 1 30.345 3.639 5.636 1.00 0.00 H ATOM 17 HD2 PHE A 1 26.327 3.887 7.021 1.00 0.00 H ATOM 18 HE1 PHE A 1 30.959 5.544 7.063 1.00 0.00 H ATOM 19 HE2 PHE A 1 26.935 5.797 8.451 1.00 0.00 H ATOM 20 HZ PHE A 1 29.255 6.626 8.473 1.00 0.00 H ATOM 21 N GLY A 2 29.050 0.990 8.076 1.00 0.00 N ATOM 22 CA GLY A 2 28.747 0.508 9.419 1.00 0.00 C ATOM 23 C GLY A 2 27.303 0.757 9.827 1.00 0.00 C ATOM 24 O GLY A 2 26.575 -0.188 10.139 1.00 0.00 O ATOM 25 H GLY A 2 29.815 1.590 7.936 1.00 0.00 H ATOM 26 HA2 GLY A 2 28.940 -0.554 9.460 1.00 0.00 H ATOM 27 HA3 GLY A 2 29.397 1.008 10.121 1.00 0.00 H ATOM 28 N GLY A 3 26.885 2.024 9.811 1.00 0.00 N ATOM 29 CA GLY A 3 25.515 2.362 10.172 1.00 0.00 C ATOM 30 C GLY A 3 24.560 2.196 8.999 1.00 0.00 C ATOM 31 O GLY A 3 24.680 1.241 8.229 1.00 0.00 O ATOM 32 H GLY A 3 27.508 2.735 9.545 1.00 0.00 H ATOM 33 HA2 GLY A 3 25.197 1.716 10.978 1.00 0.00 H ATOM 34 HA3 GLY A 3 25.483 3.387 10.510 1.00 0.00 H ATOM 35 N PHE A 4 23.618 3.133 8.854 1.00 0.00 N ATOM 36 CA PHE A 4 22.651 3.092 7.756 1.00 0.00 C ATOM 37 C PHE A 4 21.871 4.404 7.683 1.00 0.00 C ATOM 38 O PHE A 4 21.284 4.842 8.677 1.00 0.00 O ATOM 39 CB PHE A 4 21.679 1.919 7.930 1.00 0.00 C ATOM 40 CG PHE A 4 21.428 1.155 6.661 1.00 0.00 C ATOM 41 CD1 PHE A 4 22.342 0.213 6.214 1.00 0.00 C ATOM 42 CD2 PHE A 4 20.284 1.380 5.911 1.00 0.00 C ATOM 43 CE1 PHE A 4 22.119 -0.490 5.046 1.00 0.00 C ATOM 44 CE2 PHE A 4 20.055 0.679 4.741 1.00 0.00 C ATOM 45 CZ PHE A 4 20.975 -0.258 4.308 1.00 0.00 C ATOM 46 H PHE A 4 23.580 3.874 9.496 1.00 0.00 H ATOM 47 HA PHE A 4 23.201 2.960 6.835 1.00 0.00 H ATOM 48 HB2 PHE A 4 22.082 1.230 8.657 1.00 0.00 H ATOM 49 HB3 PHE A 4 20.731 2.295 8.286 1.00 0.00 H ATOM 50 HD1 PHE A 4 23.236 0.027 6.790 1.00 0.00 H ATOM 51 HD2 PHE A 4 19.565 2.112 6.249 1.00 0.00 H ATOM 52 HE1 PHE A 4 22.841 -1.219 4.709 1.00 0.00 H ATOM 53 HE2 PHE A 4 19.160 0.862 4.165 1.00 0.00 H ATOM 54 HZ PHE A 4 20.802 -0.805 3.394 1.00 0.00 H ATOM 55 N THR A 5 21.879 5.030 6.503 1.00 0.00 N ATOM 56 CA THR A 5 21.184 6.304 6.291 1.00 0.00 C ATOM 57 C THR A 5 19.896 6.119 5.478 1.00 0.00 C ATOM 58 O THR A 5 18.994 6.955 5.544 1.00 0.00 O ATOM 59 CB THR A 5 22.100 7.332 5.582 1.00 0.00 C ATOM 60 OG1 THR A 5 23.416 7.296 6.155 1.00 0.00 O ATOM 61 CG2 THR A 5 21.537 8.744 5.710 1.00 0.00 C ATOM 62 H THR A 5 22.372 4.629 5.757 1.00 0.00 H ATOM 63 HA THR A 5 20.924 6.704 7.263 1.00 0.00 H ATOM 64 HB THR A 5 22.162 7.077 4.532 1.00 0.00 H ATOM 65 HG1 THR A 5 23.350 7.259 7.112 1.00 0.00 H ATOM 66 HG21 THR A 5 21.587 9.242 4.753 1.00 0.00 H ATOM 67 HG22 THR A 5 22.116 9.302 6.435 1.00 0.00 H ATOM 68 HG23 THR A 5 20.509 8.696 6.037 1.00 0.00 H ATOM 69 N GLY A 6 19.815 5.024 4.710 1.00 0.00 N ATOM 70 CA GLY A 6 18.634 4.754 3.898 1.00 0.00 C ATOM 71 C GLY A 6 17.334 4.857 4.682 1.00 0.00 C ATOM 72 O GLY A 6 16.358 5.426 4.193 1.00 0.00 O ATOM 73 H GLY A 6 20.565 4.395 4.691 1.00 0.00 H ATOM 74 HA2 GLY A 6 18.602 5.458 3.081 1.00 0.00 H ATOM 75 HA3 GLY A 6 18.715 3.756 3.493 1.00 0.00 H ATOM 76 N LYS A 7 17.324 4.303 5.899 1.00 0.00 N ATOM 77 CA LYS A 7 16.137 4.333 6.755 1.00 0.00 C ATOM 78 C LYS A 7 15.755 5.768 7.122 1.00 0.00 C ATOM 79 O LYS A 7 14.577 6.086 7.274 1.00 0.00 O ATOM 80 CB LYS A 7 16.371 3.513 8.034 1.00 0.00 C ATOM 81 CG LYS A 7 15.186 3.534 8.991 1.00 0.00 C ATOM 82 CD LYS A 7 13.955 2.894 8.372 1.00 0.00 C ATOM 83 CE LYS A 7 12.677 3.458 8.969 1.00 0.00 C ATOM 84 NZ LYS A 7 12.555 4.891 8.712 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.134 3.863 6.228 1.00 0.00 H ATOM 86 HA LYS A 7 15.324 3.891 6.201 1.00 0.00 H ATOM 87 HB2 LYS A 7 16.570 2.488 7.761 1.00 0.00 H ATOM 88 HB3 LYS A 7 17.230 3.914 8.551 1.00 0.00 H ATOM 89 HG2 LYS A 7 15.447 2.993 9.886 1.00 0.00 H ATOM 90 HG3 LYS A 7 14.959 4.561 9.242 1.00 0.00 H ATOM 91 HD2 LYS A 7 13.957 3.083 7.310 1.00 0.00 H ATOM 92 HD3 LYS A 7 13.984 1.829 8.552 1.00 0.00 H ATOM 93 HE2 LYS A 7 11.833 2.952 8.524 1.00 0.00 H ATOM 94 HE3 LYS A 7 12.678 3.288 10.036 1.00 0.00 H ATOM 95 HZ1 LYS A 7 13.368 5.375 8.450 1.00 0.00 H ATOM 96 N ARG A 8 16.755 6.630 7.267 1.00 0.00 N ATOM 97 CA ARG A 8 16.516 8.029 7.620 1.00 0.00 C ATOM 98 C ARG A 8 15.633 8.723 6.586 1.00 0.00 C ATOM 99 O ARG A 8 14.642 9.366 6.941 1.00 0.00 O ATOM 100 CB ARG A 8 17.849 8.773 7.748 1.00 0.00 C ATOM 101 CG ARG A 8 17.711 10.286 7.774 1.00 0.00 C ATOM 102 CD ARG A 8 19.066 10.964 7.655 1.00 0.00 C ATOM 103 NE ARG A 8 18.945 12.415 7.503 1.00 0.00 N ATOM 104 CZ ARG A 8 19.984 13.239 7.345 1.00 0.00 C ATOM 105 NH1 ARG A 8 21.226 12.761 7.309 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 19.781 14.548 7.216 1.00 0.00 N ATOM 107 H ARG A 8 17.674 6.320 7.131 1.00 0.00 H ATOM 108 HA ARG A 8 16.010 8.048 8.573 1.00 0.00 H ATOM 109 HB2 ARG A 8 18.334 8.463 8.663 1.00 0.00 H ATOM 110 HB3 ARG A 8 18.479 8.507 6.912 1.00 0.00 H ATOM 111 HG2 ARG A 8 17.091 10.598 6.947 1.00 0.00 H ATOM 112 HG3 ARG A 8 17.250 10.581 8.706 1.00 0.00 H ATOM 113 HD2 ARG A 8 19.641 10.754 8.545 1.00 0.00 H ATOM 114 HD3 ARG A 8 19.578 10.564 6.794 1.00 0.00 H ATOM 115 HE ARG A 8 18.042 12.797 7.519 1.00 0.00 H ATOM 116 HH11 ARG A 8 21.387 11.779 7.399 1.00 0.00 H ATOM 117 HH12 ARG A 8 21.997 13.384 7.193 1.00 0.00 H ATOM 118 HH21 ARG A 8 18.851 14.916 7.236 1.00 0.00 H ATOM 119 HH22 ARG A 8 20.559 15.166 7.101 1.00 0.00 H ATOM 120 N LYS A 9 16.001 8.602 5.310 1.00 0.00 N ATOM 121 CA LYS A 9 15.235 9.231 4.230 1.00 0.00 C ATOM 122 C LYS A 9 13.927 8.477 3.982 1.00 0.00 C ATOM 123 O LYS A 9 12.889 9.089 3.729 1.00 0.00 O ATOM 124 CB LYS A 9 16.052 9.306 2.931 1.00 0.00 C ATOM 125 CG LYS A 9 15.636 10.469 2.035 1.00 0.00 C ATOM 126 CD LYS A 9 15.587 10.094 0.556 1.00 0.00 C ATOM 127 CE LYS A 9 16.971 9.917 -0.057 1.00 0.00 C ATOM 128 NZ LYS A 9 17.659 8.685 0.421 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.804 8.079 5.092 1.00 0.00 H ATOM 130 HA LYS A 9 14.995 10.237 4.549 1.00 0.00 H ATOM 131 HB2 LYS A 9 17.098 9.424 3.181 1.00 0.00 H ATOM 132 HB3 LYS A 9 15.920 8.387 2.381 1.00 0.00 H ATOM 133 HG2 LYS A 9 14.656 10.807 2.337 1.00 0.00 H ATOM 134 HG3 LYS A 9 16.345 11.275 2.166 1.00 0.00 H ATOM 135 HD2 LYS A 9 15.043 9.168 0.450 1.00 0.00 H ATOM 136 HD3 LYS A 9 15.067 10.877 0.021 1.00 0.00 H ATOM 137 HE2 LYS A 9 16.865 9.861 -1.131 1.00 0.00 H ATOM 138 HE3 LYS A 9 17.575 10.778 0.196 1.00 0.00 H ATOM 139 HZ1 LYS A 9 18.338 8.356 -0.297 1.00 0.00 H ATOM 140 HZ2 LYS A 9 16.965 7.931 0.596 1.00 0.00 H ATOM 141 HZ3 LYS A 9 18.174 8.882 1.303 1.00 0.00 H ATOM 142 N SER A 10 13.988 7.141 4.064 1.00 0.00 N ATOM 143 CA SER A 10 12.815 6.289 3.859 1.00 0.00 C ATOM 144 C SER A 10 11.662 6.729 4.758 1.00 0.00 C ATOM 145 O SER A 10 10.544 6.938 4.286 1.00 0.00 O ATOM 146 CB SER A 10 13.170 4.826 4.147 1.00 0.00 C ATOM 147 OG SER A 10 12.025 3.994 4.091 1.00 0.00 O ATOM 148 H SER A 10 14.849 6.720 4.273 1.00 0.00 H ATOM 149 HA SER A 10 12.510 6.381 2.828 1.00 0.00 H ATOM 150 HB2 SER A 10 13.880 4.481 3.411 1.00 0.00 H ATOM 151 HB3 SER A 10 13.610 4.751 5.131 1.00 0.00 H ATOM 152 HG SER A 10 12.165 3.299 3.444 1.00 0.00 H ATOM 153 N ASP A 11 11.956 6.875 6.051 1.00 0.00 N ATOM 154 CA ASP A 11 10.970 7.306 7.044 1.00 0.00 C ATOM 155 C ASP A 11 10.601 8.776 6.875 1.00 0.00 C ATOM 156 O ASP A 11 9.448 9.145 7.058 1.00 0.00 O ATOM 157 CB ASP A 11 11.493 7.036 8.452 1.00 0.00 C ATOM 158 CG ASP A 11 11.416 5.562 8.790 1.00 0.00 C ATOM 159 OD1 ASP A 11 10.340 5.034 9.076 1.00 0.00 O ATOM 160 H ASP A 11 12.873 6.696 6.346 1.00 0.00 H ATOM 161 HA ASP A 11 10.081 6.715 6.891 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.525 7.353 8.515 1.00 0.00 H ATOM 163 HB3 ASP A 11 10.907 7.587 9.165 1.00 0.00 H ATOM 164 N ARG A 12 11.577 9.612 6.514 1.00 0.00 N ATOM 165 CA ARG A 12 11.322 11.038 6.308 1.00 0.00 C ATOM 166 C ARG A 12 10.175 11.233 5.313 1.00 0.00 C ATOM 167 O ARG A 12 9.264 12.026 5.547 1.00 0.00 O ATOM 168 CB ARG A 12 12.583 11.737 5.787 1.00 0.00 C ATOM 169 CG ARG A 12 12.434 13.244 5.598 1.00 0.00 C ATOM 170 CD ARG A 12 12.246 13.977 6.920 1.00 0.00 C ATOM 171 NE ARG A 12 10.924 13.756 7.515 1.00 0.00 N ATOM 172 CZ ARG A 12 10.561 14.229 8.710 1.00 0.00 C ATOM 173 NH1 ARG A 12 11.415 14.948 9.434 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 9.341 13.987 9.183 1.00 0.00 N ATOM 175 H ARG A 12 12.483 9.262 6.374 1.00 0.00 H ATOM 176 HA ARG A 12 11.045 11.468 7.255 1.00 0.00 H ATOM 177 HB2 ARG A 12 13.390 11.562 6.482 1.00 0.00 H ATOM 178 HB3 ARG A 12 12.843 11.306 4.832 1.00 0.00 H ATOM 179 HG2 ARG A 12 13.322 13.623 5.116 1.00 0.00 H ATOM 180 HG3 ARG A 12 11.577 13.434 4.968 1.00 0.00 H ATOM 181 HD2 ARG A 12 12.999 13.636 7.615 1.00 0.00 H ATOM 182 HD3 ARG A 12 12.376 15.036 6.746 1.00 0.00 H ATOM 183 HE ARG A 12 10.273 13.236 7.000 1.00 0.00 H ATOM 184 HH11 ARG A 12 12.333 15.137 9.085 1.00 0.00 H ATOM 185 HH12 ARG A 12 11.139 15.301 10.327 1.00 0.00 H ATOM 186 HH21 ARG A 12 8.692 13.449 8.646 1.00 0.00 H ATOM 187 HH22 ARG A 12 9.073 14.343 10.079 1.00 0.00 H ATOM 188 N LYS A 13 10.233 10.490 4.205 1.00 0.00 N ATOM 189 CA LYS A 13 9.206 10.555 3.166 1.00 0.00 C ATOM 190 C LYS A 13 7.990 9.704 3.513 1.00 0.00 C ATOM 191 O LYS A 13 6.854 10.126 3.298 1.00 0.00 O ATOM 192 CB LYS A 13 9.790 10.109 1.825 1.00 0.00 C ATOM 193 CG LYS A 13 10.625 11.179 1.147 1.00 0.00 C ATOM 194 CD LYS A 13 9.738 12.219 0.480 1.00 0.00 C ATOM 195 CE LYS A 13 10.527 13.449 0.058 1.00 0.00 C ATOM 196 NZ LYS A 13 11.051 14.207 1.230 1.00 0.00 N1+ ATOM 197 H LYS A 13 10.986 9.873 4.086 1.00 0.00 H ATOM 198 HA LYS A 13 8.893 11.584 3.083 1.00 0.00 H ATOM 199 HB2 LYS A 13 10.415 9.243 1.987 1.00 0.00 H ATOM 200 HB3 LYS A 13 8.979 9.840 1.163 1.00 0.00 H ATOM 201 HG2 LYS A 13 11.243 11.665 1.886 1.00 0.00 H ATOM 202 HG3 LYS A 13 11.249 10.716 0.398 1.00 0.00 H ATOM 203 HD2 LYS A 13 9.287 11.779 -0.396 1.00 0.00 H ATOM 204 HD3 LYS A 13 8.966 12.517 1.173 1.00 0.00 H ATOM 205 HE2 LYS A 13 11.357 13.135 -0.555 1.00 0.00 H ATOM 206 HE3 LYS A 13 9.878 14.093 -0.516 1.00 0.00 H ATOM 207 HZ1 LYS A 13 11.755 13.636 1.742 1.00 0.00 H ATOM 208 HZ2 LYS A 13 10.274 14.443 1.882 1.00 0.00 H ATOM 209 HZ3 LYS A 13 11.500 15.089 0.913 1.00 0.00 H ATOM 210 N LYS A 14 8.233 8.501 4.033 1.00 0.00 N ATOM 211 CA LYS A 14 7.150 7.587 4.392 1.00 0.00 C ATOM 212 C LYS A 14 6.278 8.161 5.505 1.00 0.00 C ATOM 213 O LYS A 14 5.060 8.229 5.367 1.00 0.00 O ATOM 214 CB LYS A 14 7.708 6.229 4.819 1.00 0.00 C ATOM 215 CG LYS A 14 6.624 5.211 5.120 1.00 0.00 C ATOM 216 CD LYS A 14 5.856 4.846 3.862 1.00 0.00 C ATOM 217 CE LYS A 14 4.656 3.970 4.171 1.00 0.00 C ATOM 218 NZ LYS A 14 3.402 4.724 4.206 1.00 0.00 N1+ ATOM 219 H LYS A 14 9.160 8.218 4.169 1.00 0.00 H ATOM 220 HA LYS A 14 6.538 7.451 3.516 1.00 0.00 H ATOM 221 HB2 LYS A 14 8.328 5.840 4.024 1.00 0.00 H ATOM 222 HB3 LYS A 14 8.309 6.359 5.705 1.00 0.00 H ATOM 223 HG2 LYS A 14 7.081 4.321 5.526 1.00 0.00 H ATOM 224 HG3 LYS A 14 5.939 5.630 5.842 1.00 0.00 H ATOM 225 HD2 LYS A 14 5.512 5.753 3.387 1.00 0.00 H ATOM 226 HD3 LYS A 14 6.516 4.316 3.190 1.00 0.00 H ATOM 227 HE2 LYS A 14 4.582 3.209 3.408 1.00 0.00 H ATOM 228 HE3 LYS A 14 4.808 3.500 5.134 1.00 0.00 H ATOM 229 HZ1 LYS A 14 2.863 4.737 3.388 1.00 0.00 H ATOM 230 N LYS A 15 6.910 8.578 6.602 1.00 0.00 N ATOM 231 CA LYS A 15 6.186 9.157 7.732 1.00 0.00 C ATOM 232 C LYS A 15 5.341 10.341 7.270 1.00 0.00 C ATOM 233 O LYS A 15 4.235 10.558 7.770 1.00 0.00 O ATOM 234 CB LYS A 15 7.165 9.588 8.834 1.00 0.00 C ATOM 235 CG LYS A 15 6.516 10.380 9.955 1.00 0.00 C ATOM 236 CD LYS A 15 7.498 10.665 11.077 1.00 0.00 C ATOM 237 CE LYS A 15 6.828 11.407 12.221 1.00 0.00 C ATOM 238 NZ LYS A 15 7.804 11.827 13.265 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.886 8.502 6.647 1.00 0.00 H ATOM 240 HA LYS A 15 5.526 8.395 8.125 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.616 8.705 9.264 1.00 0.00 H ATOM 242 HB3 LYS A 15 7.940 10.197 8.393 1.00 0.00 H ATOM 243 HG2 LYS A 15 6.162 11.320 9.557 1.00 0.00 H ATOM 244 HG3 LYS A 15 5.683 9.815 10.348 1.00 0.00 H ATOM 245 HD2 LYS A 15 7.890 9.730 11.446 1.00 0.00 H ATOM 246 HD3 LYS A 15 8.305 11.271 10.691 1.00 0.00 H ATOM 247 HE2 LYS A 15 6.338 12.284 11.825 1.00 0.00 H ATOM 248 HE3 LYS A 15 6.090 10.757 12.670 1.00 0.00 H ATOM 249 HZ1 LYS A 15 8.778 11.703 12.920 1.00 0.00 H ATOM 250 HZ2 LYS A 15 7.677 11.254 14.123 1.00 0.00 H ATOM 251 HZ3 LYS A 15 7.658 12.829 13.507 1.00 0.00 H ATOM 252 N ASN A 16 5.861 11.093 6.300 1.00 0.00 N ATOM 253 CA ASN A 16 5.148 12.239 5.756 1.00 0.00 C ATOM 254 C ASN A 16 3.942 11.787 4.931 1.00 0.00 C ATOM 255 O ASN A 16 2.872 12.392 5.008 1.00 0.00 O ATOM 256 CB ASN A 16 6.089 13.091 4.894 1.00 0.00 C ATOM 257 CG ASN A 16 5.432 14.364 4.392 1.00 0.00 C ATOM 258 OD1 ASN A 16 4.995 15.203 5.181 1.00 0.00 O ATOM 259 ND2 ASN A 16 5.359 14.518 3.073 1.00 0.00 N ATOM 260 H ASN A 16 6.741 10.860 5.934 1.00 0.00 H ATOM 261 HA ASN A 16 4.798 12.833 6.587 1.00 0.00 H ATOM 262 HB2 ASN A 16 6.954 13.365 5.479 1.00 0.00 H ATOM 263 HB3 ASN A 16 6.406 12.509 4.040 1.00 0.00 H ATOM 264 HD21 ASN A 16 5.728 13.810 2.503 1.00 0.00 H ATOM 265 HD22 ASN A 16 4.937 15.330 2.725 1.00 0.00 H ATOM 266 N GLN A 17 4.125 10.729 4.135 1.00 0.00 N ATOM 267 CA GLN A 17 3.052 10.209 3.288 1.00 0.00 C ATOM 268 C GLN A 17 2.024 9.418 4.102 1.00 0.00 C ATOM 269 O GLN A 17 0.843 9.770 4.119 1.00 0.00 O ATOM 270 CB GLN A 17 3.631 9.337 2.171 1.00 0.00 C ATOM 271 CG GLN A 17 2.918 9.506 0.839 1.00 0.00 C ATOM 272 CD GLN A 17 3.575 8.715 -0.281 1.00 0.00 C ATOM 273 OE1 GLN A 17 4.749 8.916 -0.596 1.00 0.00 O ATOM 274 NE2 GLN A 17 2.816 7.813 -0.895 1.00 0.00 N ATOM 275 H GLN A 17 5.005 10.294 4.114 1.00 0.00 H ATOM 276 HA GLN A 17 2.554 11.053 2.844 1.00 0.00 H ATOM 277 HB2 GLN A 17 4.673 9.587 2.034 1.00 0.00 H ATOM 278 HB3 GLN A 17 3.558 8.299 2.463 1.00 0.00 H ATOM 279 HG2 GLN A 17 1.896 9.174 0.945 1.00 0.00 H ATOM 280 HG3 GLN A 17 2.928 10.553 0.575 1.00 0.00 H ATOM 281 HE21 GLN A 17 1.887 7.707 -0.597 1.00 0.00 H ATOM 282 HE22 GLN A 17 3.214 7.292 -1.621 1.00 0.00 H ATOM 283 N ASP A 18 2.471 8.353 4.773 1.00 0.00 N ATOM 284 CA ASP A 18 1.571 7.528 5.581 1.00 0.00 C ATOM 285 C ASP A 18 1.909 7.620 7.071 1.00 0.00 C ATOM 286 O ASP A 18 1.842 6.628 7.799 1.00 0.00 O ATOM 287 CB ASP A 18 1.596 6.065 5.104 1.00 0.00 C ATOM 288 CG ASP A 18 2.941 5.367 5.276 1.00 0.00 C ATOM 289 OD1 ASP A 18 3.534 5.382 6.354 1.00 0.00 O ATOM 290 H ASP A 18 3.420 8.119 4.723 1.00 0.00 H ATOM 291 HA ASP A 18 0.573 7.914 5.441 1.00 0.00 H ATOM 292 HB2 ASP A 18 0.862 5.507 5.660 1.00 0.00 H ATOM 293 HB3 ASP A 18 1.335 6.044 4.055 1.00 0.00 H HETATM 294 N NH2 A 19 2.258 8.817 7.531 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.292 9.566 6.899 1.00 0.00 H HETATM 296 HN2 NH2 A 19 2.469 8.902 8.481 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 15 ATOM 1 N PHE A 1 20.309 -0.519 15.212 1.00 0.00 N ATOM 2 CA PHE A 1 19.407 -0.816 14.105 1.00 0.00 C ATOM 3 C PHE A 1 18.215 0.143 14.094 1.00 0.00 C ATOM 4 O PHE A 1 17.856 0.675 13.042 1.00 0.00 O ATOM 5 CB PHE A 1 18.926 -2.270 14.183 1.00 0.00 C ATOM 6 CG PHE A 1 20.015 -3.287 13.950 1.00 0.00 C ATOM 7 CD1 PHE A 1 21.132 -2.975 13.186 1.00 0.00 C ATOM 8 CD2 PHE A 1 19.922 -4.554 14.502 1.00 0.00 C ATOM 9 CE1 PHE A 1 22.129 -3.908 12.977 1.00 0.00 C ATOM 10 CE2 PHE A 1 20.918 -5.490 14.296 1.00 0.00 C ATOM 11 CZ PHE A 1 22.023 -5.167 13.533 1.00 0.00 C ATOM 12 H1 PHE A 1 21.269 -0.417 15.036 1.00 0.00 H ATOM 13 HA PHE A 1 19.962 -0.682 13.189 1.00 0.00 H ATOM 14 HB2 PHE A 1 18.511 -2.450 15.163 1.00 0.00 H ATOM 15 HB3 PHE A 1 18.158 -2.427 13.439 1.00 0.00 H ATOM 16 HD1 PHE A 1 21.217 -1.991 12.748 1.00 0.00 H ATOM 17 HD2 PHE A 1 19.059 -4.810 15.099 1.00 0.00 H ATOM 18 HE1 PHE A 1 22.992 -3.652 12.379 1.00 0.00 H ATOM 19 HE2 PHE A 1 20.833 -6.475 14.732 1.00 0.00 H ATOM 20 HZ PHE A 1 22.801 -5.898 13.370 1.00 0.00 H ATOM 21 N GLY A 2 17.614 0.370 15.267 1.00 0.00 N ATOM 22 CA GLY A 2 16.479 1.277 15.362 1.00 0.00 C ATOM 23 C GLY A 2 16.845 2.688 14.939 1.00 0.00 C ATOM 24 O GLY A 2 16.187 3.275 14.079 1.00 0.00 O ATOM 25 H GLY A 2 17.950 -0.075 16.074 1.00 0.00 H ATOM 26 HA2 GLY A 2 15.685 0.913 14.726 1.00 0.00 H ATOM 27 HA3 GLY A 2 16.128 1.297 16.382 1.00 0.00 H ATOM 28 N GLY A 3 17.915 3.218 15.533 1.00 0.00 N ATOM 29 CA GLY A 3 18.383 4.550 15.195 1.00 0.00 C ATOM 30 C GLY A 3 19.260 4.530 13.957 1.00 0.00 C ATOM 31 O GLY A 3 18.760 4.357 12.844 1.00 0.00 O ATOM 32 H GLY A 3 18.404 2.689 16.197 1.00 0.00 H ATOM 33 HA2 GLY A 3 17.532 5.189 15.012 1.00 0.00 H ATOM 34 HA3 GLY A 3 18.951 4.947 16.022 1.00 0.00 H ATOM 35 N PHE A 4 20.575 4.691 14.157 1.00 0.00 N ATOM 36 CA PHE A 4 21.552 4.671 13.060 1.00 0.00 C ATOM 37 C PHE A 4 21.590 5.992 12.274 1.00 0.00 C ATOM 38 O PHE A 4 22.631 6.338 11.715 1.00 0.00 O ATOM 39 CB PHE A 4 21.262 3.502 12.109 1.00 0.00 C ATOM 40 CG PHE A 4 22.435 3.092 11.261 1.00 0.00 C ATOM 41 CD1 PHE A 4 23.650 2.763 11.846 1.00 0.00 C ATOM 42 CD2 PHE A 4 22.318 3.022 9.883 1.00 0.00 C ATOM 43 CE1 PHE A 4 24.725 2.375 11.068 1.00 0.00 C ATOM 44 CE2 PHE A 4 23.390 2.633 9.101 1.00 0.00 C ATOM 45 CZ PHE A 4 24.595 2.309 9.695 1.00 0.00 C ATOM 46 H PHE A 4 20.900 4.810 15.073 1.00 0.00 H ATOM 47 HA PHE A 4 22.524 4.514 13.502 1.00 0.00 H ATOM 48 HB2 PHE A 4 20.959 2.644 12.689 1.00 0.00 H ATOM 49 HB3 PHE A 4 20.456 3.783 11.446 1.00 0.00 H ATOM 50 HD1 PHE A 4 23.753 2.812 12.919 1.00 0.00 H ATOM 51 HD2 PHE A 4 21.378 3.276 9.417 1.00 0.00 H ATOM 52 HE1 PHE A 4 25.666 2.121 11.535 1.00 0.00 H ATOM 53 HE2 PHE A 4 23.287 2.582 8.027 1.00 0.00 H ATOM 54 HZ PHE A 4 25.433 2.004 9.086 1.00 0.00 H ATOM 55 N THR A 5 20.454 6.709 12.216 1.00 0.00 N ATOM 56 CA THR A 5 20.344 7.982 11.487 1.00 0.00 C ATOM 57 C THR A 5 19.928 7.755 10.028 1.00 0.00 C ATOM 58 O THR A 5 19.256 8.602 9.435 1.00 0.00 O ATOM 59 CB THR A 5 21.650 8.812 11.525 1.00 0.00 C ATOM 60 OG1 THR A 5 22.107 8.952 12.879 1.00 0.00 O ATOM 61 CG2 THR A 5 21.433 10.196 10.924 1.00 0.00 C ATOM 62 H THR A 5 19.659 6.369 12.668 1.00 0.00 H ATOM 63 HA THR A 5 19.569 8.560 11.971 1.00 0.00 H ATOM 64 HB THR A 5 22.405 8.301 10.947 1.00 0.00 H ATOM 65 HG1 THR A 5 21.480 9.482 13.376 1.00 0.00 H ATOM 66 HG21 THR A 5 20.492 10.596 11.272 1.00 0.00 H ATOM 67 HG22 THR A 5 21.418 10.122 9.846 1.00 0.00 H ATOM 68 HG23 THR A 5 22.236 10.851 11.229 1.00 0.00 H ATOM 69 N GLY A 6 20.320 6.608 9.460 1.00 0.00 N ATOM 70 CA GLY A 6 19.971 6.283 8.083 1.00 0.00 C ATOM 71 C GLY A 6 18.471 6.329 7.816 1.00 0.00 C ATOM 72 O GLY A 6 18.050 6.535 6.677 1.00 0.00 O ATOM 73 H GLY A 6 20.848 5.970 9.982 1.00 0.00 H ATOM 74 HA2 GLY A 6 20.460 6.988 7.427 1.00 0.00 H ATOM 75 HA3 GLY A 6 20.333 5.291 7.859 1.00 0.00 H ATOM 76 N LYS A 7 17.666 6.129 8.868 1.00 0.00 N ATOM 77 CA LYS A 7 16.206 6.142 8.752 1.00 0.00 C ATOM 78 C LYS A 7 15.705 7.393 8.027 1.00 0.00 C ATOM 79 O LYS A 7 14.680 7.359 7.357 1.00 0.00 O ATOM 80 CB LYS A 7 15.561 6.083 10.137 1.00 0.00 C ATOM 81 CG LYS A 7 14.043 6.021 10.083 1.00 0.00 C ATOM 82 CD LYS A 7 13.408 6.596 11.335 1.00 0.00 C ATOM 83 CE LYS A 7 11.919 6.839 11.130 1.00 0.00 C ATOM 84 NZ LYS A 7 11.654 7.681 9.958 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.066 5.964 9.747 1.00 0.00 H ATOM 86 HA LYS A 7 15.909 5.270 8.190 1.00 0.00 H ATOM 87 HB2 LYS A 7 15.921 5.208 10.655 1.00 0.00 H ATOM 88 HB3 LYS A 7 15.845 6.966 10.692 1.00 0.00 H ATOM 89 HG2 LYS A 7 13.699 6.584 9.229 1.00 0.00 H ATOM 90 HG3 LYS A 7 13.741 4.989 9.979 1.00 0.00 H ATOM 91 HD2 LYS A 7 13.542 5.899 12.149 1.00 0.00 H ATOM 92 HD3 LYS A 7 13.889 7.533 11.576 1.00 0.00 H ATOM 93 HE2 LYS A 7 11.429 5.886 10.996 1.00 0.00 H ATOM 94 HE3 LYS A 7 11.523 7.327 12.009 1.00 0.00 H ATOM 95 HZ1 LYS A 7 11.060 7.317 9.272 1.00 0.00 H ATOM 96 N ARG A 8 16.426 8.494 8.173 1.00 0.00 N ATOM 97 CA ARG A 8 16.035 9.744 7.535 1.00 0.00 C ATOM 98 C ARG A 8 15.380 9.469 6.178 1.00 0.00 C ATOM 99 O ARG A 8 14.486 10.204 5.750 1.00 0.00 O ATOM 100 CB ARG A 8 17.261 10.657 7.382 1.00 0.00 C ATOM 101 CG ARG A 8 16.954 12.046 6.836 1.00 0.00 C ATOM 102 CD ARG A 8 16.965 12.081 5.314 1.00 0.00 C ATOM 103 NE ARG A 8 16.671 13.419 4.799 1.00 0.00 N ATOM 104 CZ ARG A 8 16.739 13.761 3.508 1.00 0.00 C ATOM 105 NH1 ARG A 8 17.120 12.877 2.590 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 16.432 15.000 3.136 1.00 0.00 N ATOM 107 H ARG A 8 17.232 8.467 8.719 1.00 0.00 H ATOM 108 HA ARG A 8 15.313 10.229 8.175 1.00 0.00 H ATOM 109 HB2 ARG A 8 17.724 10.774 8.351 1.00 0.00 H ATOM 110 HB3 ARG A 8 17.967 10.181 6.716 1.00 0.00 H ATOM 111 HG2 ARG A 8 15.978 12.348 7.185 1.00 0.00 H ATOM 112 HG3 ARG A 8 17.697 12.736 7.207 1.00 0.00 H ATOM 113 HD2 ARG A 8 17.941 11.777 4.967 1.00 0.00 H ATOM 114 HD3 ARG A 8 16.222 11.391 4.944 1.00 0.00 H ATOM 115 HE ARG A 8 16.400 14.102 5.449 1.00 0.00 H ATOM 116 HH11 ARG A 8 17.359 11.944 2.860 1.00 0.00 H ATOM 117 HH12 ARG A 8 17.168 13.145 1.628 1.00 0.00 H ATOM 118 HH21 ARG A 8 16.150 15.673 3.822 1.00 0.00 H ATOM 119 HH22 ARG A 8 16.481 15.261 2.171 1.00 0.00 H ATOM 120 N LYS A 9 15.825 8.399 5.514 1.00 0.00 N ATOM 121 CA LYS A 9 15.280 8.017 4.207 1.00 0.00 C ATOM 122 C LYS A 9 13.845 7.491 4.323 1.00 0.00 C ATOM 123 O LYS A 9 12.939 7.970 3.636 1.00 0.00 O ATOM 124 CB LYS A 9 16.172 6.963 3.541 1.00 0.00 C ATOM 125 CG LYS A 9 15.642 6.476 2.199 1.00 0.00 C ATOM 126 CD LYS A 9 15.404 7.631 1.236 1.00 0.00 C ATOM 127 CE LYS A 9 14.781 7.157 -0.069 1.00 0.00 C ATOM 128 NZ LYS A 9 13.452 6.512 0.143 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.535 7.851 5.919 1.00 0.00 H ATOM 130 HA LYS A 9 15.271 8.901 3.589 1.00 0.00 H ATOM 131 HB2 LYS A 9 17.154 7.385 3.384 1.00 0.00 H ATOM 132 HB3 LYS A 9 16.257 6.111 4.200 1.00 0.00 H ATOM 133 HG2 LYS A 9 16.362 5.800 1.764 1.00 0.00 H ATOM 134 HG3 LYS A 9 14.710 5.956 2.361 1.00 0.00 H ATOM 135 HD2 LYS A 9 14.740 8.345 1.701 1.00 0.00 H ATOM 136 HD3 LYS A 9 16.350 8.107 1.021 1.00 0.00 H ATOM 137 HE2 LYS A 9 14.655 8.008 -0.723 1.00 0.00 H ATOM 138 HE3 LYS A 9 15.448 6.446 -0.533 1.00 0.00 H ATOM 139 HZ1 LYS A 9 12.875 7.085 0.792 1.00 0.00 H ATOM 140 HZ2 LYS A 9 13.575 5.563 0.551 1.00 0.00 H ATOM 141 HZ3 LYS A 9 12.950 6.424 -0.763 1.00 0.00 H ATOM 142 N SER A 10 13.642 6.505 5.191 1.00 0.00 N ATOM 143 CA SER A 10 12.318 5.920 5.396 1.00 0.00 C ATOM 144 C SER A 10 11.342 6.935 6.003 1.00 0.00 C ATOM 145 O SER A 10 10.149 6.902 5.702 1.00 0.00 O ATOM 146 CB SER A 10 12.406 4.675 6.284 1.00 0.00 C ATOM 147 OG SER A 10 13.040 4.964 7.517 1.00 0.00 O ATOM 148 H SER A 10 14.401 6.165 5.710 1.00 0.00 H ATOM 149 HA SER A 10 11.942 5.627 4.428 1.00 0.00 H ATOM 150 HB2 SER A 10 11.411 4.311 6.486 1.00 0.00 H ATOM 151 HB3 SER A 10 12.971 3.910 5.771 1.00 0.00 H ATOM 152 HG SER A 10 12.417 4.834 8.236 1.00 0.00 H ATOM 153 N ASP A 11 11.851 7.835 6.853 1.00 0.00 N ATOM 154 CA ASP A 11 11.007 8.851 7.487 1.00 0.00 C ATOM 155 C ASP A 11 10.404 9.794 6.446 1.00 0.00 C ATOM 156 O ASP A 11 9.198 10.024 6.441 1.00 0.00 O ATOM 157 CB ASP A 11 11.800 9.668 8.518 1.00 0.00 C ATOM 158 CG ASP A 11 12.172 8.904 9.790 1.00 0.00 C ATOM 159 OD1 ASP A 11 12.917 9.425 10.621 1.00 0.00 O ATOM 160 H ASP A 11 12.808 7.818 7.053 1.00 0.00 H ATOM 161 HA ASP A 11 10.203 8.341 7.988 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.714 10.014 8.059 1.00 0.00 H ATOM 163 HB3 ASP A 11 11.209 10.527 8.805 1.00 0.00 H ATOM 164 N ARG A 12 11.243 10.340 5.567 1.00 0.00 N ATOM 165 CA ARG A 12 10.761 11.260 4.530 1.00 0.00 C ATOM 166 C ARG A 12 9.793 10.560 3.574 1.00 0.00 C ATOM 167 O ARG A 12 8.899 11.195 3.014 1.00 0.00 O ATOM 168 CB ARG A 12 11.931 11.893 3.756 1.00 0.00 C ATOM 169 CG ARG A 12 12.790 10.903 2.982 1.00 0.00 C ATOM 170 CD ARG A 12 12.272 10.682 1.566 1.00 0.00 C ATOM 171 NE ARG A 12 12.539 11.833 0.701 1.00 0.00 N ATOM 172 CZ ARG A 12 13.765 12.224 0.328 1.00 0.00 C ATOM 173 NH1 ARG A 12 14.836 11.505 0.661 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 13.917 13.327 -0.399 1.00 0.00 N ATOM 175 H ARG A 12 12.198 10.119 5.614 1.00 0.00 H ATOM 176 HA ARG A 12 10.219 12.048 5.033 1.00 0.00 H ATOM 177 HB2 ARG A 12 11.532 12.609 3.055 1.00 0.00 H ATOM 178 HB3 ARG A 12 12.568 12.413 4.458 1.00 0.00 H ATOM 179 HG2 ARG A 12 13.797 11.285 2.928 1.00 0.00 H ATOM 180 HG3 ARG A 12 12.791 9.963 3.506 1.00 0.00 H ATOM 181 HD2 ARG A 12 12.759 9.812 1.149 1.00 0.00 H ATOM 182 HD3 ARG A 12 11.206 10.513 1.604 1.00 0.00 H ATOM 183 HE ARG A 12 11.768 12.358 0.402 1.00 0.00 H ATOM 184 HH11 ARG A 12 14.732 10.665 1.192 1.00 0.00 H ATOM 185 HH12 ARG A 12 15.747 11.807 0.380 1.00 0.00 H ATOM 186 HH21 ARG A 12 13.118 13.864 -0.668 1.00 0.00 H ATOM 187 HH22 ARG A 12 14.834 13.622 -0.675 1.00 0.00 H ATOM 188 N LYS A 13 9.979 9.250 3.385 1.00 0.00 N ATOM 189 CA LYS A 13 9.124 8.476 2.488 1.00 0.00 C ATOM 190 C LYS A 13 7.775 8.113 3.128 1.00 0.00 C ATOM 191 O LYS A 13 6.723 8.494 2.617 1.00 0.00 O ATOM 192 CB LYS A 13 9.849 7.202 2.040 1.00 0.00 C ATOM 193 CG LYS A 13 8.996 6.284 1.179 1.00 0.00 C ATOM 194 CD LYS A 13 9.731 5.002 0.825 1.00 0.00 C ATOM 195 CE LYS A 13 8.825 4.027 0.088 1.00 0.00 C ATOM 196 NZ LYS A 13 9.490 2.715 -0.150 1.00 0.00 N1+ ATOM 197 H LYS A 13 10.715 8.797 3.851 1.00 0.00 H ATOM 198 HA LYS A 13 8.934 9.084 1.620 1.00 0.00 H ATOM 199 HB2 LYS A 13 10.723 7.482 1.470 1.00 0.00 H ATOM 200 HB3 LYS A 13 10.162 6.653 2.915 1.00 0.00 H ATOM 201 HG2 LYS A 13 8.097 6.031 1.722 1.00 0.00 H ATOM 202 HG3 LYS A 13 8.734 6.800 0.267 1.00 0.00 H ATOM 203 HD2 LYS A 13 10.573 5.243 0.192 1.00 0.00 H ATOM 204 HD3 LYS A 13 10.085 4.536 1.735 1.00 0.00 H ATOM 205 HE2 LYS A 13 7.936 3.866 0.680 1.00 0.00 H ATOM 206 HE3 LYS A 13 8.551 4.458 -0.862 1.00 0.00 H ATOM 207 HZ1 LYS A 13 8.845 2.074 -0.656 1.00 0.00 H ATOM 208 HZ2 LYS A 13 9.754 2.277 0.756 1.00 0.00 H ATOM 209 HZ3 LYS A 13 10.350 2.847 -0.721 1.00 0.00 H ATOM 210 N LYS A 14 7.811 7.348 4.219 1.00 0.00 N ATOM 211 CA LYS A 14 6.587 6.894 4.898 1.00 0.00 C ATOM 212 C LYS A 14 5.923 7.976 5.758 1.00 0.00 C ATOM 213 O LYS A 14 4.711 8.175 5.662 1.00 0.00 O ATOM 214 CB LYS A 14 6.893 5.660 5.760 1.00 0.00 C ATOM 215 CG LYS A 14 5.711 5.182 6.590 1.00 0.00 C ATOM 216 CD LYS A 14 4.571 4.688 5.714 1.00 0.00 C ATOM 217 CE LYS A 14 3.263 4.623 6.487 1.00 0.00 C ATOM 218 NZ LYS A 14 2.811 5.953 6.891 1.00 0.00 N1+ ATOM 219 H LYS A 14 8.681 7.056 4.564 1.00 0.00 H ATOM 220 HA LYS A 14 5.882 6.604 4.130 1.00 0.00 H ATOM 221 HB2 LYS A 14 7.199 4.851 5.113 1.00 0.00 H ATOM 222 HB3 LYS A 14 7.704 5.896 6.433 1.00 0.00 H ATOM 223 HG2 LYS A 14 6.035 4.373 7.227 1.00 0.00 H ATOM 224 HG3 LYS A 14 5.357 6.000 7.200 1.00 0.00 H ATOM 225 HD2 LYS A 14 4.451 5.361 4.878 1.00 0.00 H ATOM 226 HD3 LYS A 14 4.812 3.699 5.351 1.00 0.00 H ATOM 227 HE2 LYS A 14 2.510 4.169 5.861 1.00 0.00 H ATOM 228 HE3 LYS A 14 3.409 4.018 7.370 1.00 0.00 H ATOM 229 HZ1 LYS A 14 3.430 6.503 7.414 1.00 0.00 H ATOM 230 N LYS A 15 6.697 8.655 6.607 1.00 0.00 N ATOM 231 CA LYS A 15 6.140 9.693 7.484 1.00 0.00 C ATOM 232 C LYS A 15 5.375 10.732 6.669 1.00 0.00 C ATOM 233 O LYS A 15 4.298 11.178 7.067 1.00 0.00 O ATOM 234 CB LYS A 15 7.241 10.383 8.299 1.00 0.00 C ATOM 235 CG LYS A 15 6.713 11.175 9.486 1.00 0.00 C ATOM 236 CD LYS A 15 7.810 11.989 10.158 1.00 0.00 C ATOM 237 CE LYS A 15 8.300 13.125 9.269 1.00 0.00 C ATOM 238 NZ LYS A 15 7.202 14.066 8.904 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.653 8.447 6.654 1.00 0.00 H ATOM 240 HA LYS A 15 5.451 9.212 8.163 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.924 9.634 8.667 1.00 0.00 H ATOM 242 HB3 LYS A 15 7.776 11.063 7.653 1.00 0.00 H ATOM 243 HG2 LYS A 15 5.940 11.846 9.144 1.00 0.00 H ATOM 244 HG3 LYS A 15 6.298 10.486 10.207 1.00 0.00 H ATOM 245 HD2 LYS A 15 7.423 12.406 11.076 1.00 0.00 H ATOM 246 HD3 LYS A 15 8.641 11.335 10.379 1.00 0.00 H ATOM 247 HE2 LYS A 15 9.066 13.672 9.797 1.00 0.00 H ATOM 248 HE3 LYS A 15 8.718 12.705 8.366 1.00 0.00 H ATOM 249 HZ1 LYS A 15 7.599 14.954 8.536 1.00 0.00 H ATOM 250 HZ2 LYS A 15 6.621 14.281 9.739 1.00 0.00 H ATOM 251 HZ3 LYS A 15 6.595 13.642 8.173 1.00 0.00 H ATOM 252 N ASN A 16 5.941 11.101 5.522 1.00 0.00 N ATOM 253 CA ASN A 16 5.321 12.077 4.630 1.00 0.00 C ATOM 254 C ASN A 16 4.081 11.482 3.960 1.00 0.00 C ATOM 255 O ASN A 16 3.050 12.145 3.838 1.00 0.00 O ATOM 256 CB ASN A 16 6.329 12.523 3.570 1.00 0.00 C ATOM 257 CG ASN A 16 5.828 13.682 2.728 1.00 0.00 C ATOM 258 OD1 ASN A 16 4.881 13.541 1.953 1.00 0.00 O ATOM 259 ND2 ASN A 16 6.459 14.841 2.883 1.00 0.00 N ATOM 260 H ASN A 16 6.797 10.697 5.265 1.00 0.00 H ATOM 261 HA ASN A 16 5.026 12.930 5.220 1.00 0.00 H ATOM 262 HB2 ASN A 16 7.242 12.827 4.058 1.00 0.00 H ATOM 263 HB3 ASN A 16 6.539 11.691 2.912 1.00 0.00 H ATOM 264 HD21 ASN A 16 7.202 14.882 3.521 1.00 0.00 H ATOM 265 HD22 ASN A 16 6.157 15.607 2.354 1.00 0.00 H ATOM 266 N GLN A 17 4.200 10.228 3.527 1.00 0.00 N ATOM 267 CA GLN A 17 3.107 9.521 2.863 1.00 0.00 C ATOM 268 C GLN A 17 1.875 9.387 3.762 1.00 0.00 C ATOM 269 O GLN A 17 0.759 9.672 3.328 1.00 0.00 O ATOM 270 CB GLN A 17 3.599 8.147 2.393 1.00 0.00 C ATOM 271 CG GLN A 17 4.373 8.214 1.085 1.00 0.00 C ATOM 272 CD GLN A 17 3.496 8.585 -0.097 1.00 0.00 C ATOM 273 OE1 GLN A 17 2.714 7.767 -0.583 1.00 0.00 O ATOM 274 NE2 GLN A 17 3.605 9.829 -0.553 1.00 0.00 N ATOM 275 H GLN A 17 5.054 9.763 3.655 1.00 0.00 H ATOM 276 HA GLN A 17 2.830 10.101 1.996 1.00 0.00 H ATOM 277 HB2 GLN A 17 4.250 7.734 3.150 1.00 0.00 H ATOM 278 HB3 GLN A 17 2.758 7.491 2.262 1.00 0.00 H ATOM 279 HG2 GLN A 17 5.150 8.956 1.180 1.00 0.00 H ATOM 280 HG3 GLN A 17 4.820 7.249 0.896 1.00 0.00 H ATOM 281 HE21 GLN A 17 4.235 10.435 -0.107 1.00 0.00 H ATOM 282 HE22 GLN A 17 3.047 10.092 -1.315 1.00 0.00 H ATOM 283 N ASP A 18 2.076 8.966 5.011 1.00 0.00 N ATOM 284 CA ASP A 18 0.964 8.817 5.952 1.00 0.00 C ATOM 285 C ASP A 18 0.551 10.171 6.527 1.00 0.00 C ATOM 286 O ASP A 18 -0.609 10.570 6.428 1.00 0.00 O ATOM 287 CB ASP A 18 1.332 7.854 7.087 1.00 0.00 C ATOM 288 CG ASP A 18 1.617 6.452 6.584 1.00 0.00 C ATOM 289 OD1 ASP A 18 0.775 5.832 5.929 1.00 0.00 O ATOM 290 H ASP A 18 2.988 8.761 5.307 1.00 0.00 H ATOM 291 HA ASP A 18 0.128 8.407 5.406 1.00 0.00 H ATOM 292 HB2 ASP A 18 2.214 8.221 7.591 1.00 0.00 H ATOM 293 HB3 ASP A 18 0.513 7.805 7.790 1.00 0.00 H HETATM 294 N NH2 A 19 1.502 10.881 7.126 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.406 10.504 7.171 1.00 0.00 H HETATM 296 HN2 NH2 A 19 1.261 11.754 7.500 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 16 ATOM 1 N PHE A 1 30.988 0.159 7.227 1.00 0.00 N ATOM 2 CA PHE A 1 30.493 0.801 6.010 1.00 0.00 C ATOM 3 C PHE A 1 28.970 0.958 6.041 1.00 0.00 C ATOM 4 O PHE A 1 28.436 1.969 5.579 1.00 0.00 O ATOM 5 CB PHE A 1 30.934 0.017 4.762 1.00 0.00 C ATOM 6 CG PHE A 1 30.445 -1.407 4.713 1.00 0.00 C ATOM 7 CD1 PHE A 1 29.121 -1.693 4.420 1.00 0.00 C ATOM 8 CD2 PHE A 1 31.316 -2.459 4.950 1.00 0.00 C ATOM 9 CE1 PHE A 1 28.673 -2.998 4.369 1.00 0.00 C ATOM 10 CE2 PHE A 1 30.875 -3.766 4.899 1.00 0.00 C ATOM 11 CZ PHE A 1 29.551 -4.037 4.609 1.00 0.00 C ATOM 12 H1 PHE A 1 30.982 -0.820 7.288 1.00 0.00 H ATOM 13 HA PHE A 1 30.931 1.788 5.967 1.00 0.00 H ATOM 14 HB2 PHE A 1 30.563 0.520 3.882 1.00 0.00 H ATOM 15 HB3 PHE A 1 32.013 -0.002 4.727 1.00 0.00 H ATOM 16 HD1 PHE A 1 28.433 -0.882 4.232 1.00 0.00 H ATOM 17 HD2 PHE A 1 32.351 -2.249 5.179 1.00 0.00 H ATOM 18 HE1 PHE A 1 27.639 -3.207 4.143 1.00 0.00 H ATOM 19 HE2 PHE A 1 31.563 -4.578 5.084 1.00 0.00 H ATOM 20 HZ PHE A 1 29.204 -5.059 4.569 1.00 0.00 H ATOM 21 N GLY A 2 28.275 -0.046 6.585 1.00 0.00 N ATOM 22 CA GLY A 2 26.824 0.003 6.662 1.00 0.00 C ATOM 23 C GLY A 2 26.325 0.989 7.704 1.00 0.00 C ATOM 24 O GLY A 2 26.742 0.938 8.863 1.00 0.00 O ATOM 25 H GLY A 2 28.752 -0.827 6.937 1.00 0.00 H ATOM 26 HA2 GLY A 2 26.434 0.289 5.696 1.00 0.00 H ATOM 27 HA3 GLY A 2 26.455 -0.982 6.910 1.00 0.00 H ATOM 28 N GLY A 3 25.429 1.884 7.291 1.00 0.00 N ATOM 29 CA GLY A 3 24.881 2.874 8.204 1.00 0.00 C ATOM 30 C GLY A 3 23.854 2.286 9.155 1.00 0.00 C ATOM 31 O GLY A 3 22.925 1.596 8.726 1.00 0.00 O ATOM 32 H GLY A 3 25.136 1.871 6.355 1.00 0.00 H ATOM 33 HA2 GLY A 3 25.688 3.301 8.780 1.00 0.00 H ATOM 34 HA3 GLY A 3 24.413 3.658 7.627 1.00 0.00 H ATOM 35 N PHE A 4 24.016 2.565 10.449 1.00 0.00 N ATOM 36 CA PHE A 4 23.092 2.062 11.468 1.00 0.00 C ATOM 37 C PHE A 4 21.700 2.685 11.318 1.00 0.00 C ATOM 38 O PHE A 4 20.690 1.996 11.476 1.00 0.00 O ATOM 39 CB PHE A 4 23.653 2.292 12.883 1.00 0.00 C ATOM 40 CG PHE A 4 24.134 3.695 13.151 1.00 0.00 C ATOM 41 CD1 PHE A 4 23.236 4.722 13.391 1.00 0.00 C ATOM 42 CD2 PHE A 4 25.491 3.979 13.170 1.00 0.00 C ATOM 43 CE1 PHE A 4 23.683 6.006 13.643 1.00 0.00 C ATOM 44 CE2 PHE A 4 25.942 5.260 13.424 1.00 0.00 C ATOM 45 CZ PHE A 4 25.036 6.275 13.660 1.00 0.00 C ATOM 46 H PHE A 4 24.773 3.122 10.724 1.00 0.00 H ATOM 47 HA PHE A 4 22.997 0.999 11.310 1.00 0.00 H ATOM 48 HB2 PHE A 4 22.882 2.068 13.603 1.00 0.00 H ATOM 49 HB3 PHE A 4 24.485 1.620 13.040 1.00 0.00 H ATOM 50 HD1 PHE A 4 22.177 4.512 13.381 1.00 0.00 H ATOM 51 HD2 PHE A 4 26.200 3.185 12.983 1.00 0.00 H ATOM 52 HE1 PHE A 4 22.972 6.798 13.828 1.00 0.00 H ATOM 53 HE2 PHE A 4 27.001 5.467 13.437 1.00 0.00 H ATOM 54 HZ PHE A 4 25.386 7.277 13.857 1.00 0.00 H ATOM 55 N THR A 5 21.649 3.979 10.990 1.00 0.00 N ATOM 56 CA THR A 5 20.376 4.676 10.794 1.00 0.00 C ATOM 57 C THR A 5 20.014 4.743 9.306 1.00 0.00 C ATOM 58 O THR A 5 19.655 5.801 8.781 1.00 0.00 O ATOM 59 CB THR A 5 20.401 6.101 11.391 1.00 0.00 C ATOM 60 OG1 THR A 5 21.581 6.796 10.968 1.00 0.00 O ATOM 61 CG2 THR A 5 20.340 6.055 12.912 1.00 0.00 C ATOM 62 H THR A 5 22.487 4.471 10.860 1.00 0.00 H ATOM 63 HA THR A 5 19.610 4.111 11.307 1.00 0.00 H ATOM 64 HB THR A 5 19.534 6.634 11.032 1.00 0.00 H ATOM 65 HG1 THR A 5 21.517 7.721 11.218 1.00 0.00 H ATOM 66 HG21 THR A 5 19.425 6.517 13.250 1.00 0.00 H ATOM 67 HG22 THR A 5 21.185 6.588 13.322 1.00 0.00 H ATOM 68 HG23 THR A 5 20.369 5.028 13.243 1.00 0.00 H ATOM 69 N GLY A 6 20.114 3.597 8.632 1.00 0.00 N ATOM 70 CA GLY A 6 19.802 3.525 7.214 1.00 0.00 C ATOM 71 C GLY A 6 18.400 4.008 6.878 1.00 0.00 C ATOM 72 O GLY A 6 18.177 4.551 5.794 1.00 0.00 O ATOM 73 H GLY A 6 20.404 2.789 9.103 1.00 0.00 H ATOM 74 HA2 GLY A 6 20.515 4.130 6.672 1.00 0.00 H ATOM 75 HA3 GLY A 6 19.904 2.499 6.891 1.00 0.00 H ATOM 76 N LYS A 7 17.448 3.794 7.791 1.00 0.00 N ATOM 77 CA LYS A 7 16.060 4.196 7.560 1.00 0.00 C ATOM 78 C LYS A 7 15.791 5.663 7.955 1.00 0.00 C ATOM 79 O LYS A 7 14.720 5.978 8.479 1.00 0.00 O ATOM 80 CB LYS A 7 15.114 3.268 8.333 1.00 0.00 C ATOM 81 CG LYS A 7 13.660 3.422 7.924 1.00 0.00 C ATOM 82 CD LYS A 7 12.709 3.094 9.060 1.00 0.00 C ATOM 83 CE LYS A 7 11.301 3.580 8.749 1.00 0.00 C ATOM 84 NZ LYS A 7 11.270 5.009 8.416 1.00 0.00 N1+ ATOM 85 H LYS A 7 17.680 3.342 8.629 1.00 0.00 H ATOM 86 HA LYS A 7 15.860 4.085 6.505 1.00 0.00 H ATOM 87 HB2 LYS A 7 15.409 2.245 8.157 1.00 0.00 H ATOM 88 HB3 LYS A 7 15.196 3.482 9.388 1.00 0.00 H ATOM 89 HG2 LYS A 7 13.491 4.440 7.614 1.00 0.00 H ATOM 90 HG3 LYS A 7 13.461 2.756 7.097 1.00 0.00 H ATOM 91 HD2 LYS A 7 12.689 2.023 9.203 1.00 0.00 H ATOM 92 HD3 LYS A 7 13.059 3.574 9.961 1.00 0.00 H ATOM 93 HE2 LYS A 7 10.917 3.018 7.911 1.00 0.00 H ATOM 94 HE3 LYS A 7 10.677 3.408 9.613 1.00 0.00 H ATOM 95 HZ1 LYS A 7 10.833 5.261 7.579 1.00 0.00 H ATOM 96 N ARG A 8 16.739 6.566 7.692 1.00 0.00 N ATOM 97 CA ARG A 8 16.541 7.983 8.021 1.00 0.00 C ATOM 98 C ARG A 8 15.699 8.693 6.959 1.00 0.00 C ATOM 99 O ARG A 8 14.681 9.315 7.276 1.00 0.00 O ATOM 100 CB ARG A 8 17.877 8.713 8.182 1.00 0.00 C ATOM 101 CG ARG A 8 18.523 8.519 9.544 1.00 0.00 C ATOM 102 CD ARG A 8 19.787 9.359 9.702 1.00 0.00 C ATOM 103 NE ARG A 8 19.519 10.800 9.632 1.00 0.00 N ATOM 104 CZ ARG A 8 19.393 11.496 8.494 1.00 0.00 C ATOM 105 NH1 ARG A 8 19.619 10.921 7.314 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 19.067 12.783 8.543 1.00 0.00 N ATOM 107 H ARG A 8 17.577 6.283 7.265 1.00 0.00 H ATOM 108 HA ARG A 8 16.009 8.025 8.958 1.00 0.00 H ATOM 109 HB2 ARG A 8 18.562 8.356 7.429 1.00 0.00 H ATOM 110 HB3 ARG A 8 17.713 9.770 8.034 1.00 0.00 H ATOM 111 HG2 ARG A 8 17.818 8.807 10.308 1.00 0.00 H ATOM 112 HG3 ARG A 8 18.777 7.479 9.665 1.00 0.00 H ATOM 113 HD2 ARG A 8 20.232 9.136 10.660 1.00 0.00 H ATOM 114 HD3 ARG A 8 20.480 9.092 8.917 1.00 0.00 H ATOM 115 HE ARG A 8 19.396 11.273 10.482 1.00 0.00 H ATOM 116 HH11 ARG A 8 19.888 9.960 7.266 1.00 0.00 H ATOM 117 HH12 ARG A 8 19.519 11.453 6.472 1.00 0.00 H ATOM 118 HH21 ARG A 8 18.915 13.229 9.425 1.00 0.00 H ATOM 119 HH22 ARG A 8 18.972 13.309 7.696 1.00 0.00 H ATOM 120 N LYS A 9 16.137 8.606 5.702 1.00 0.00 N ATOM 121 CA LYS A 9 15.437 9.251 4.589 1.00 0.00 C ATOM 122 C LYS A 9 14.066 8.626 4.339 1.00 0.00 C ATOM 123 O LYS A 9 13.073 9.338 4.197 1.00 0.00 O ATOM 124 CB LYS A 9 16.275 9.178 3.308 1.00 0.00 C ATOM 125 CG LYS A 9 15.558 9.725 2.080 1.00 0.00 C ATOM 126 CD LYS A 9 16.407 9.605 0.825 1.00 0.00 C ATOM 127 CE LYS A 9 15.629 10.021 -0.416 1.00 0.00 C ATOM 128 NZ LYS A 9 16.459 9.957 -1.653 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.958 8.103 5.519 1.00 0.00 H ATOM 130 HA LYS A 9 15.296 10.288 4.851 1.00 0.00 H ATOM 131 HB2 LYS A 9 17.182 9.748 3.453 1.00 0.00 H ATOM 132 HB3 LYS A 9 16.534 8.146 3.119 1.00 0.00 H ATOM 133 HG2 LYS A 9 14.643 9.171 1.934 1.00 0.00 H ATOM 134 HG3 LYS A 9 15.325 10.766 2.248 1.00 0.00 H ATOM 135 HD2 LYS A 9 17.272 10.243 0.923 1.00 0.00 H ATOM 136 HD3 LYS A 9 16.724 8.578 0.714 1.00 0.00 H ATOM 137 HE2 LYS A 9 14.783 9.358 -0.531 1.00 0.00 H ATOM 138 HE3 LYS A 9 15.274 11.034 -0.282 1.00 0.00 H ATOM 139 HZ1 LYS A 9 17.469 10.003 -1.410 1.00 0.00 H ATOM 140 HZ2 LYS A 9 16.230 10.754 -2.279 1.00 0.00 H ATOM 141 HZ3 LYS A 9 16.275 9.068 -2.160 1.00 0.00 H ATOM 142 N SER A 10 14.021 7.300 4.268 1.00 0.00 N ATOM 143 CA SER A 10 12.770 6.590 4.015 1.00 0.00 C ATOM 144 C SER A 10 11.676 7.002 5.002 1.00 0.00 C ATOM 145 O SER A 10 10.521 7.165 4.614 1.00 0.00 O ATOM 146 CB SER A 10 12.991 5.075 4.064 1.00 0.00 C ATOM 147 OG SER A 10 13.430 4.662 5.343 1.00 0.00 O ATOM 148 H SER A 10 14.849 6.788 4.378 1.00 0.00 H ATOM 149 HA SER A 10 12.446 6.855 3.022 1.00 0.00 H ATOM 150 HB2 SER A 10 12.064 4.572 3.837 1.00 0.00 H ATOM 151 HB3 SER A 10 13.738 4.800 3.334 1.00 0.00 H ATOM 152 HG SER A 10 12.674 4.378 5.861 1.00 0.00 H ATOM 153 N ASP A 11 12.044 7.174 6.273 1.00 0.00 N ATOM 154 CA ASP A 11 11.081 7.572 7.304 1.00 0.00 C ATOM 155 C ASP A 11 10.590 9.007 7.111 1.00 0.00 C ATOM 156 O ASP A 11 9.391 9.266 7.212 1.00 0.00 O ATOM 157 CB ASP A 11 11.681 7.417 8.709 1.00 0.00 C ATOM 158 CG ASP A 11 11.798 5.970 9.191 1.00 0.00 C ATOM 159 OD1 ASP A 11 12.356 5.724 10.263 1.00 0.00 O ATOM 160 H ASP A 11 12.981 7.034 6.522 1.00 0.00 H ATOM 161 HA ASP A 11 10.232 6.915 7.221 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.670 7.851 8.715 1.00 0.00 H ATOM 163 HB3 ASP A 11 11.060 7.956 9.411 1.00 0.00 H ATOM 164 N ARG A 12 11.510 9.940 6.850 1.00 0.00 N ATOM 165 CA ARG A 12 11.136 11.349 6.671 1.00 0.00 C ATOM 166 C ARG A 12 10.078 11.512 5.574 1.00 0.00 C ATOM 167 O ARG A 12 9.105 12.249 5.747 1.00 0.00 O ATOM 168 CB ARG A 12 12.374 12.220 6.372 1.00 0.00 C ATOM 169 CG ARG A 12 12.785 12.285 4.904 1.00 0.00 C ATOM 170 CD ARG A 12 11.969 13.316 4.134 1.00 0.00 C ATOM 171 NE ARG A 12 12.266 13.297 2.703 1.00 0.00 N ATOM 172 CZ ARG A 12 11.614 14.030 1.798 1.00 0.00 C ATOM 173 NH1 ARG A 12 10.607 14.818 2.168 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 11.962 13.968 0.518 1.00 0.00 N ATOM 175 H ARG A 12 12.454 9.682 6.793 1.00 0.00 H ATOM 176 HA ARG A 12 10.702 11.683 7.602 1.00 0.00 H ATOM 177 HB2 ARG A 12 12.173 13.226 6.706 1.00 0.00 H ATOM 178 HB3 ARG A 12 13.210 11.831 6.937 1.00 0.00 H ATOM 179 HG2 ARG A 12 13.828 12.555 4.844 1.00 0.00 H ATOM 180 HG3 ARG A 12 12.638 11.318 4.454 1.00 0.00 H ATOM 181 HD2 ARG A 12 10.920 13.111 4.274 1.00 0.00 H ATOM 182 HD3 ARG A 12 12.196 14.297 4.525 1.00 0.00 H ATOM 183 HE ARG A 12 12.994 12.714 2.399 1.00 0.00 H ATOM 184 HH11 ARG A 12 10.332 14.865 3.128 1.00 0.00 H ATOM 185 HH12 ARG A 12 10.123 15.363 1.484 1.00 0.00 H ATOM 186 HH21 ARG A 12 12.713 13.373 0.233 1.00 0.00 H ATOM 187 HH22 ARG A 12 11.475 14.517 -0.161 1.00 0.00 H ATOM 188 N LYS A 13 10.272 10.820 4.449 1.00 0.00 N ATOM 189 CA LYS A 13 9.332 10.889 3.329 1.00 0.00 C ATOM 190 C LYS A 13 8.100 10.018 3.569 1.00 0.00 C ATOM 191 O LYS A 13 7.002 10.353 3.120 1.00 0.00 O ATOM 192 CB LYS A 13 10.018 10.515 2.001 1.00 0.00 C ATOM 193 CG LYS A 13 10.765 9.182 2.010 1.00 0.00 C ATOM 194 CD LYS A 13 9.844 7.980 1.823 1.00 0.00 C ATOM 195 CE LYS A 13 9.439 7.786 0.366 1.00 0.00 C ATOM 196 NZ LYS A 13 8.505 8.845 -0.113 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.064 10.249 4.373 1.00 0.00 H ATOM 198 HA LYS A 13 9.002 11.916 3.259 1.00 0.00 H ATOM 199 HB2 LYS A 13 9.267 10.471 1.231 1.00 0.00 H ATOM 200 HB3 LYS A 13 10.724 11.292 1.751 1.00 0.00 H ATOM 201 HG2 LYS A 13 11.486 9.187 1.208 1.00 0.00 H ATOM 202 HG3 LYS A 13 11.282 9.080 2.951 1.00 0.00 H ATOM 203 HD2 LYS A 13 10.357 7.092 2.160 1.00 0.00 H ATOM 204 HD3 LYS A 13 8.954 8.125 2.413 1.00 0.00 H ATOM 205 HE2 LYS A 13 10.330 7.809 -0.244 1.00 0.00 H ATOM 206 HE3 LYS A 13 8.961 6.825 0.266 1.00 0.00 H ATOM 207 HZ1 LYS A 13 9.042 9.647 -0.502 1.00 0.00 H ATOM 208 HZ2 LYS A 13 7.916 9.185 0.673 1.00 0.00 H ATOM 209 HZ3 LYS A 13 7.886 8.464 -0.855 1.00 0.00 H ATOM 210 N LYS A 14 8.285 8.898 4.269 1.00 0.00 N ATOM 211 CA LYS A 14 7.186 7.979 4.554 1.00 0.00 C ATOM 212 C LYS A 14 6.217 8.542 5.600 1.00 0.00 C ATOM 213 O LYS A 14 5.033 8.205 5.586 1.00 0.00 O ATOM 214 CB LYS A 14 7.721 6.620 5.008 1.00 0.00 C ATOM 215 CG LYS A 14 6.624 5.601 5.262 1.00 0.00 C ATOM 216 CD LYS A 14 6.515 5.252 6.735 1.00 0.00 C ATOM 217 CE LYS A 14 5.150 4.676 7.071 1.00 0.00 C ATOM 218 NZ LYS A 14 4.120 5.714 7.145 1.00 0.00 N1+ ATOM 219 H LYS A 14 9.184 8.679 4.594 1.00 0.00 H ATOM 220 HA LYS A 14 6.640 7.839 3.632 1.00 0.00 H ATOM 221 HB2 LYS A 14 8.379 6.230 4.247 1.00 0.00 H ATOM 222 HB3 LYS A 14 8.279 6.753 5.923 1.00 0.00 H ATOM 223 HG2 LYS A 14 5.680 6.008 4.929 1.00 0.00 H ATOM 224 HG3 LYS A 14 6.846 4.703 4.704 1.00 0.00 H ATOM 225 HD2 LYS A 14 7.274 4.522 6.979 1.00 0.00 H ATOM 226 HD3 LYS A 14 6.673 6.148 7.320 1.00 0.00 H ATOM 227 HE2 LYS A 14 4.877 3.965 6.304 1.00 0.00 H ATOM 228 HE3 LYS A 14 5.210 4.171 8.023 1.00 0.00 H ATOM 229 HZ1 LYS A 14 4.300 6.487 7.722 1.00 0.00 H ATOM 230 N LYS A 15 6.714 9.397 6.504 1.00 0.00 N ATOM 231 CA LYS A 15 5.867 9.991 7.542 1.00 0.00 C ATOM 232 C LYS A 15 4.656 10.672 6.912 1.00 0.00 C ATOM 233 O LYS A 15 3.513 10.430 7.312 1.00 0.00 O ATOM 234 CB LYS A 15 6.659 11.002 8.383 1.00 0.00 C ATOM 235 CG LYS A 15 6.984 10.520 9.789 1.00 0.00 C ATOM 236 CD LYS A 15 7.956 9.350 9.787 1.00 0.00 C ATOM 237 CE LYS A 15 8.239 8.862 11.201 1.00 0.00 C ATOM 238 NZ LYS A 15 8.920 9.895 12.032 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.662 9.636 6.469 1.00 0.00 H ATOM 240 HA LYS A 15 5.521 9.194 8.182 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.589 11.220 7.879 1.00 0.00 H ATOM 242 HB3 LYS A 15 6.085 11.914 8.463 1.00 0.00 H ATOM 243 HG2 LYS A 15 7.423 11.333 10.346 1.00 0.00 H ATOM 244 HG3 LYS A 15 6.067 10.210 10.271 1.00 0.00 H ATOM 245 HD2 LYS A 15 7.531 8.540 9.214 1.00 0.00 H ATOM 246 HD3 LYS A 15 8.884 9.668 9.334 1.00 0.00 H ATOM 247 HE2 LYS A 15 7.302 8.601 11.671 1.00 0.00 H ATOM 248 HE3 LYS A 15 8.867 7.986 11.146 1.00 0.00 H ATOM 249 HZ1 LYS A 15 9.645 10.387 11.470 1.00 0.00 H ATOM 250 HZ2 LYS A 15 9.378 9.449 12.852 1.00 0.00 H ATOM 251 HZ3 LYS A 15 8.228 10.594 12.375 1.00 0.00 H ATOM 252 N ASN A 16 4.917 11.504 5.907 1.00 0.00 N ATOM 253 CA ASN A 16 3.853 12.206 5.195 1.00 0.00 C ATOM 254 C ASN A 16 3.112 11.251 4.261 1.00 0.00 C ATOM 255 O ASN A 16 1.893 11.346 4.108 1.00 0.00 O ATOM 256 CB ASN A 16 4.410 13.393 4.404 1.00 0.00 C ATOM 257 CG ASN A 16 5.009 14.460 5.304 1.00 0.00 C ATOM 258 OD1 ASN A 16 5.999 14.223 5.996 1.00 0.00 O ATOM 259 ND2 ASN A 16 4.401 15.642 5.307 1.00 0.00 N ATOM 260 H ASN A 16 5.850 11.633 5.626 1.00 0.00 H ATOM 261 HA ASN A 16 3.156 12.574 5.932 1.00 0.00 H ATOM 262 HB2 ASN A 16 5.180 13.043 3.733 1.00 0.00 H ATOM 263 HB3 ASN A 16 3.613 13.839 3.827 1.00 0.00 H ATOM 264 HD21 ASN A 16 3.612 15.761 4.736 1.00 0.00 H ATOM 265 HD22 ASN A 16 4.764 16.346 5.882 1.00 0.00 H ATOM 266 N GLN A 17 3.857 10.324 3.648 1.00 0.00 N ATOM 267 CA GLN A 17 3.274 9.341 2.734 1.00 0.00 C ATOM 268 C GLN A 17 2.146 8.574 3.424 1.00 0.00 C ATOM 269 O GLN A 17 1.060 8.416 2.861 1.00 0.00 O ATOM 270 CB GLN A 17 4.351 8.365 2.248 1.00 0.00 C ATOM 271 CG GLN A 17 3.883 7.423 1.148 1.00 0.00 C ATOM 272 CD GLN A 17 3.566 8.145 -0.149 1.00 0.00 C ATOM 273 OE1 GLN A 17 2.597 8.899 -0.234 1.00 0.00 O ATOM 274 NE2 GLN A 17 4.396 7.930 -1.163 1.00 0.00 N ATOM 275 H GLN A 17 4.821 10.299 3.818 1.00 0.00 H ATOM 276 HA GLN A 17 2.869 9.872 1.889 1.00 0.00 H ATOM 277 HB2 GLN A 17 5.189 8.931 1.871 1.00 0.00 H ATOM 278 HB3 GLN A 17 4.682 7.767 3.085 1.00 0.00 H ATOM 279 HG2 GLN A 17 4.660 6.697 0.959 1.00 0.00 H ATOM 280 HG3 GLN A 17 2.992 6.913 1.485 1.00 0.00 H ATOM 281 HE21 GLN A 17 5.156 7.326 -1.021 1.00 0.00 H ATOM 282 HE22 GLN A 17 4.217 8.387 -2.012 1.00 0.00 H ATOM 283 N ASP A 18 2.405 8.121 4.653 1.00 0.00 N ATOM 284 CA ASP A 18 1.406 7.394 5.431 1.00 0.00 C ATOM 285 C ASP A 18 0.232 8.309 5.774 1.00 0.00 C ATOM 286 O ASP A 18 -0.922 7.992 5.484 1.00 0.00 O ATOM 287 CB ASP A 18 2.009 6.830 6.726 1.00 0.00 C ATOM 288 CG ASP A 18 2.955 5.661 6.497 1.00 0.00 C ATOM 289 OD1 ASP A 18 2.630 4.719 5.772 1.00 0.00 O ATOM 290 H ASP A 18 3.284 8.295 5.049 1.00 0.00 H ATOM 291 HA ASP A 18 1.043 6.577 4.826 1.00 0.00 H ATOM 292 HB2 ASP A 18 2.560 7.614 7.224 1.00 0.00 H ATOM 293 HB3 ASP A 18 1.208 6.499 7.370 1.00 0.00 H HETATM 294 N NH2 A 19 0.530 9.452 6.391 1.00 0.00 N HETATM 295 HN1 NH2 A 19 1.471 9.640 6.592 1.00 0.00 H HETATM 296 HN2 NH2 A 19 -0.205 10.059 6.619 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 17 ATOM 1 N PHE A 1 24.216 5.165 17.724 1.00 0.00 N ATOM 2 CA PHE A 1 24.290 4.227 16.608 1.00 0.00 C ATOM 3 C PHE A 1 23.084 3.280 16.617 1.00 0.00 C ATOM 4 O PHE A 1 23.233 2.058 16.541 1.00 0.00 O ATOM 5 CB PHE A 1 25.606 3.437 16.672 1.00 0.00 C ATOM 6 CG PHE A 1 25.868 2.578 15.464 1.00 0.00 C ATOM 7 CD1 PHE A 1 25.732 3.096 14.184 1.00 0.00 C ATOM 8 CD2 PHE A 1 26.252 1.254 15.609 1.00 0.00 C ATOM 9 CE1 PHE A 1 25.974 2.309 13.074 1.00 0.00 C ATOM 10 CE2 PHE A 1 26.495 0.464 14.502 1.00 0.00 C ATOM 11 CZ PHE A 1 26.356 0.992 13.232 1.00 0.00 C ATOM 12 H1 PHE A 1 23.914 4.844 18.600 1.00 0.00 H ATOM 13 HA PHE A 1 24.272 4.803 15.694 1.00 0.00 H ATOM 14 HB2 PHE A 1 26.427 4.133 16.765 1.00 0.00 H ATOM 15 HB3 PHE A 1 25.589 2.796 17.541 1.00 0.00 H ATOM 16 HD1 PHE A 1 25.434 4.127 14.058 1.00 0.00 H ATOM 17 HD2 PHE A 1 26.359 0.839 16.600 1.00 0.00 H ATOM 18 HE1 PHE A 1 25.865 2.725 12.083 1.00 0.00 H ATOM 19 HE2 PHE A 1 26.795 -0.566 14.628 1.00 0.00 H ATOM 20 HZ PHE A 1 26.546 0.376 12.367 1.00 0.00 H ATOM 21 N GLY A 2 21.887 3.863 16.715 1.00 0.00 N ATOM 22 CA GLY A 2 20.662 3.078 16.737 1.00 0.00 C ATOM 23 C GLY A 2 20.397 2.351 15.428 1.00 0.00 C ATOM 24 O GLY A 2 20.690 2.875 14.352 1.00 0.00 O ATOM 25 H GLY A 2 21.835 4.840 16.774 1.00 0.00 H ATOM 26 HA2 GLY A 2 20.730 2.350 17.531 1.00 0.00 H ATOM 27 HA3 GLY A 2 19.831 3.738 16.942 1.00 0.00 H ATOM 28 N GLY A 3 19.841 1.141 15.525 1.00 0.00 N ATOM 29 CA GLY A 3 19.540 0.348 14.338 1.00 0.00 C ATOM 30 C GLY A 3 18.290 0.813 13.600 1.00 0.00 C ATOM 31 O GLY A 3 17.417 0.001 13.289 1.00 0.00 O ATOM 32 H GLY A 3 19.632 0.780 16.413 1.00 0.00 H ATOM 33 HA2 GLY A 3 20.381 0.401 13.663 1.00 0.00 H ATOM 34 HA3 GLY A 3 19.402 -0.680 14.637 1.00 0.00 H ATOM 35 N PHE A 4 18.205 2.117 13.317 1.00 0.00 N ATOM 36 CA PHE A 4 17.053 2.681 12.609 1.00 0.00 C ATOM 37 C PHE A 4 17.309 4.143 12.204 1.00 0.00 C ATOM 38 O PHE A 4 16.396 4.971 12.216 1.00 0.00 O ATOM 39 CB PHE A 4 15.797 2.575 13.491 1.00 0.00 C ATOM 40 CG PHE A 4 15.910 3.302 14.805 1.00 0.00 C ATOM 41 CD1 PHE A 4 16.429 2.666 15.923 1.00 0.00 C ATOM 42 CD2 PHE A 4 15.502 4.622 14.921 1.00 0.00 C ATOM 43 CE1 PHE A 4 16.538 3.333 17.130 1.00 0.00 C ATOM 44 CE2 PHE A 4 15.610 5.293 16.123 1.00 0.00 C ATOM 45 CZ PHE A 4 16.128 4.648 17.229 1.00 0.00 C ATOM 46 H PHE A 4 18.933 2.712 13.587 1.00 0.00 H ATOM 47 HA PHE A 4 16.899 2.098 11.712 1.00 0.00 H ATOM 48 HB2 PHE A 4 14.955 2.987 12.957 1.00 0.00 H ATOM 49 HB3 PHE A 4 15.605 1.533 13.703 1.00 0.00 H ATOM 50 HD1 PHE A 4 16.751 1.638 15.847 1.00 0.00 H ATOM 51 HD2 PHE A 4 15.095 5.128 14.059 1.00 0.00 H ATOM 52 HE1 PHE A 4 16.943 2.826 17.993 1.00 0.00 H ATOM 53 HE2 PHE A 4 15.290 6.322 16.199 1.00 0.00 H ATOM 54 HZ PHE A 4 16.212 5.171 18.170 1.00 0.00 H ATOM 55 N THR A 5 18.558 4.449 11.835 1.00 0.00 N ATOM 56 CA THR A 5 18.935 5.804 11.424 1.00 0.00 C ATOM 57 C THR A 5 19.224 5.881 9.922 1.00 0.00 C ATOM 58 O THR A 5 18.888 6.870 9.270 1.00 0.00 O ATOM 59 CB THR A 5 20.163 6.318 12.209 1.00 0.00 C ATOM 60 OG1 THR A 5 20.493 7.649 11.793 1.00 0.00 O ATOM 61 CG2 THR A 5 21.368 5.408 12.011 1.00 0.00 C ATOM 62 H THR A 5 19.242 3.747 11.837 1.00 0.00 H ATOM 63 HA THR A 5 18.103 6.456 11.645 1.00 0.00 H ATOM 64 HB THR A 5 19.914 6.332 13.261 1.00 0.00 H ATOM 65 HG1 THR A 5 20.060 8.281 12.370 1.00 0.00 H ATOM 66 HG21 THR A 5 21.710 5.480 10.989 1.00 0.00 H ATOM 67 HG22 THR A 5 21.089 4.387 12.227 1.00 0.00 H ATOM 68 HG23 THR A 5 22.162 5.711 12.677 1.00 0.00 H ATOM 69 N GLY A 6 19.854 4.834 9.383 1.00 0.00 N ATOM 70 CA GLY A 6 20.183 4.800 7.965 1.00 0.00 C ATOM 71 C GLY A 6 18.963 4.933 7.066 1.00 0.00 C ATOM 72 O GLY A 6 19.028 5.583 6.020 1.00 0.00 O ATOM 73 H GLY A 6 20.101 4.079 9.954 1.00 0.00 H ATOM 74 HA2 GLY A 6 20.863 5.610 7.746 1.00 0.00 H ATOM 75 HA3 GLY A 6 20.676 3.865 7.746 1.00 0.00 H ATOM 76 N LYS A 7 17.850 4.315 7.473 1.00 0.00 N ATOM 77 CA LYS A 7 16.612 4.366 6.696 1.00 0.00 C ATOM 78 C LYS A 7 15.898 5.713 6.866 1.00 0.00 C ATOM 79 O LYS A 7 14.807 5.916 6.340 1.00 0.00 O ATOM 80 CB LYS A 7 15.673 3.226 7.115 1.00 0.00 C ATOM 81 CG LYS A 7 14.479 3.059 6.190 1.00 0.00 C ATOM 82 CD LYS A 7 13.396 2.175 6.789 1.00 0.00 C ATOM 83 CE LYS A 7 12.787 2.795 8.040 1.00 0.00 C ATOM 84 NZ LYS A 7 12.374 4.187 7.836 1.00 0.00 N1+ ATOM 85 H LYS A 7 17.863 3.812 8.314 1.00 0.00 H ATOM 86 HA LYS A 7 16.868 4.239 5.655 1.00 0.00 H ATOM 87 HB2 LYS A 7 16.230 2.301 7.120 1.00 0.00 H ATOM 88 HB3 LYS A 7 15.308 3.423 8.111 1.00 0.00 H ATOM 89 HG2 LYS A 7 14.057 4.030 5.991 1.00 0.00 H ATOM 90 HG3 LYS A 7 14.818 2.618 5.263 1.00 0.00 H ATOM 91 HD2 LYS A 7 12.617 2.033 6.056 1.00 0.00 H ATOM 92 HD3 LYS A 7 13.828 1.219 7.046 1.00 0.00 H ATOM 93 HE2 LYS A 7 11.921 2.215 8.325 1.00 0.00 H ATOM 94 HE3 LYS A 7 13.518 2.759 8.834 1.00 0.00 H ATOM 95 HZ1 LYS A 7 11.712 4.367 7.138 1.00 0.00 H ATOM 96 N ARG A 8 16.515 6.633 7.594 1.00 0.00 N ATOM 97 CA ARG A 8 15.919 7.946 7.816 1.00 0.00 C ATOM 98 C ARG A 8 15.343 8.505 6.516 1.00 0.00 C ATOM 99 O ARG A 8 14.325 9.197 6.534 1.00 0.00 O ATOM 100 CB ARG A 8 16.952 8.919 8.409 1.00 0.00 C ATOM 101 CG ARG A 8 16.377 10.275 8.804 1.00 0.00 C ATOM 102 CD ARG A 8 16.160 11.180 7.597 1.00 0.00 C ATOM 103 NE ARG A 8 17.149 12.256 7.526 1.00 0.00 N ATOM 104 CZ ARG A 8 17.203 13.285 8.380 1.00 0.00 C ATOM 105 NH1 ARG A 8 16.300 13.407 9.350 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 18.158 14.201 8.252 1.00 0.00 N ATOM 107 H ARG A 8 17.384 6.431 7.986 1.00 0.00 H ATOM 108 HA ARG A 8 15.113 7.822 8.523 1.00 0.00 H ATOM 109 HB2 ARG A 8 17.384 8.468 9.289 1.00 0.00 H ATOM 110 HB3 ARG A 8 17.733 9.082 7.680 1.00 0.00 H ATOM 111 HG2 ARG A 8 15.429 10.122 9.299 1.00 0.00 H ATOM 112 HG3 ARG A 8 17.064 10.758 9.484 1.00 0.00 H ATOM 113 HD2 ARG A 8 16.230 10.586 6.699 1.00 0.00 H ATOM 114 HD3 ARG A 8 15.173 11.615 7.662 1.00 0.00 H ATOM 115 HE ARG A 8 17.816 12.206 6.809 1.00 0.00 H ATOM 116 HH11 ARG A 8 15.573 12.729 9.448 1.00 0.00 H ATOM 117 HH12 ARG A 8 16.350 14.179 9.985 1.00 0.00 H ATOM 118 HH21 ARG A 8 18.835 14.121 7.520 1.00 0.00 H ATOM 119 HH22 ARG A 8 18.203 14.969 8.892 1.00 0.00 H ATOM 120 N LYS A 9 16.000 8.207 5.393 1.00 0.00 N ATOM 121 CA LYS A 9 15.547 8.693 4.084 1.00 0.00 C ATOM 122 C LYS A 9 14.112 8.251 3.790 1.00 0.00 C ATOM 123 O LYS A 9 13.204 9.086 3.700 1.00 0.00 O ATOM 124 CB LYS A 9 16.489 8.208 2.971 1.00 0.00 C ATOM 125 CG LYS A 9 17.916 8.725 3.104 1.00 0.00 C ATOM 126 CD LYS A 9 17.990 10.249 3.040 1.00 0.00 C ATOM 127 CE LYS A 9 17.827 10.779 1.617 1.00 0.00 C ATOM 128 NZ LYS A 9 16.453 10.571 1.073 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.809 7.652 5.448 1.00 0.00 H ATOM 130 HA LYS A 9 15.571 9.770 4.112 1.00 0.00 H ATOM 131 HB2 LYS A 9 16.519 7.129 2.988 1.00 0.00 H ATOM 132 HB3 LYS A 9 16.098 8.531 2.019 1.00 0.00 H ATOM 133 HG2 LYS A 9 18.316 8.399 4.053 1.00 0.00 H ATOM 134 HG3 LYS A 9 18.511 8.312 2.303 1.00 0.00 H ATOM 135 HD2 LYS A 9 17.206 10.663 3.655 1.00 0.00 H ATOM 136 HD3 LYS A 9 18.950 10.565 3.421 1.00 0.00 H ATOM 137 HE2 LYS A 9 18.041 11.838 1.618 1.00 0.00 H ATOM 138 HE3 LYS A 9 18.537 10.275 0.977 1.00 0.00 H ATOM 139 HZ1 LYS A 9 16.404 9.668 0.560 1.00 0.00 H ATOM 140 HZ2 LYS A 9 16.210 11.340 0.417 1.00 0.00 H ATOM 141 HZ3 LYS A 9 15.757 10.559 1.846 1.00 0.00 H ATOM 142 N SER A 10 13.905 6.940 3.654 1.00 0.00 N ATOM 143 CA SER A 10 12.571 6.406 3.384 1.00 0.00 C ATOM 144 C SER A 10 11.646 6.624 4.582 1.00 0.00 C ATOM 145 O SER A 10 10.465 6.917 4.409 1.00 0.00 O ATOM 146 CB SER A 10 12.634 4.922 3.011 1.00 0.00 C ATOM 147 OG SER A 10 13.145 4.145 4.074 1.00 0.00 O ATOM 148 H SER A 10 14.662 6.324 3.747 1.00 0.00 H ATOM 149 HA SER A 10 12.171 6.955 2.545 1.00 0.00 H ATOM 150 HB2 SER A 10 11.642 4.571 2.774 1.00 0.00 H ATOM 151 HB3 SER A 10 13.275 4.797 2.150 1.00 0.00 H ATOM 152 HG SER A 10 12.699 3.295 4.091 1.00 0.00 H ATOM 153 N ASP A 11 12.199 6.503 5.796 1.00 0.00 N ATOM 154 CA ASP A 11 11.429 6.715 7.024 1.00 0.00 C ATOM 155 C ASP A 11 10.761 8.092 6.999 1.00 0.00 C ATOM 156 O ASP A 11 9.597 8.234 7.372 1.00 0.00 O ATOM 157 CB ASP A 11 12.338 6.612 8.260 1.00 0.00 C ATOM 158 CG ASP A 11 12.854 5.205 8.562 1.00 0.00 C ATOM 159 OD1 ASP A 11 13.679 5.036 9.461 1.00 0.00 O ATOM 160 H ASP A 11 13.152 6.285 5.866 1.00 0.00 H ATOM 161 HA ASP A 11 10.665 5.957 7.078 1.00 0.00 H ATOM 162 HB2 ASP A 11 13.194 7.251 8.113 1.00 0.00 H ATOM 163 HB3 ASP A 11 11.788 6.961 9.122 1.00 0.00 H ATOM 164 N ARG A 12 11.517 9.096 6.547 1.00 0.00 N ATOM 165 CA ARG A 12 11.019 10.469 6.455 1.00 0.00 C ATOM 166 C ARG A 12 9.865 10.580 5.465 1.00 0.00 C ATOM 167 O ARG A 12 8.803 11.108 5.794 1.00 0.00 O ATOM 168 CB ARG A 12 12.147 11.418 6.029 1.00 0.00 C ATOM 169 CG ARG A 12 12.673 12.306 7.145 1.00 0.00 C ATOM 170 CD ARG A 12 11.601 13.265 7.647 1.00 0.00 C ATOM 171 NE ARG A 12 12.167 14.396 8.388 1.00 0.00 N ATOM 172 CZ ARG A 12 12.784 14.299 9.569 1.00 0.00 C ATOM 173 NH1 ARG A 12 12.870 13.128 10.196 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 13.303 15.386 10.132 1.00 0.00 N ATOM 175 H ARG A 12 12.435 8.906 6.264 1.00 0.00 H ATOM 176 HA ARG A 12 10.668 10.760 7.432 1.00 0.00 H ATOM 177 HB2 ARG A 12 12.970 10.831 5.649 1.00 0.00 H ATOM 178 HB3 ARG A 12 11.781 12.055 5.237 1.00 0.00 H ATOM 179 HG2 ARG A 12 12.997 11.682 7.966 1.00 0.00 H ATOM 180 HG3 ARG A 12 13.511 12.878 6.773 1.00 0.00 H ATOM 181 HD2 ARG A 12 11.050 13.643 6.799 1.00 0.00 H ATOM 182 HD3 ARG A 12 10.930 12.722 8.297 1.00 0.00 H ATOM 183 HE ARG A 12 12.095 15.280 7.972 1.00 0.00 H ATOM 184 HH11 ARG A 12 12.469 12.309 9.789 1.00 0.00 H ATOM 185 HH12 ARG A 12 13.336 13.069 11.078 1.00 0.00 H ATOM 186 HH21 ARG A 12 13.230 16.272 9.672 1.00 0.00 H ATOM 187 HH22 ARG A 12 13.769 15.321 11.015 1.00 0.00 H ATOM 188 N LYS A 13 10.082 10.090 4.247 1.00 0.00 N ATOM 189 CA LYS A 13 9.052 10.156 3.209 1.00 0.00 C ATOM 190 C LYS A 13 7.804 9.364 3.596 1.00 0.00 C ATOM 191 O LYS A 13 6.683 9.845 3.427 1.00 0.00 O ATOM 192 CB LYS A 13 9.586 9.631 1.871 1.00 0.00 C ATOM 193 CG LYS A 13 8.605 9.816 0.715 1.00 0.00 C ATOM 194 CD LYS A 13 9.039 9.059 -0.536 1.00 0.00 C ATOM 195 CE LYS A 13 9.027 7.551 -0.316 1.00 0.00 C ATOM 196 NZ LYS A 13 9.410 6.798 -1.545 1.00 0.00 N1+ ATOM 197 H LYS A 13 10.954 9.689 4.041 1.00 0.00 H ATOM 198 HA LYS A 13 8.777 11.192 3.089 1.00 0.00 H ATOM 199 HB2 LYS A 13 10.499 10.155 1.629 1.00 0.00 H ATOM 200 HB3 LYS A 13 9.798 8.578 1.971 1.00 0.00 H ATOM 201 HG2 LYS A 13 7.633 9.457 1.019 1.00 0.00 H ATOM 202 HG3 LYS A 13 8.540 10.870 0.480 1.00 0.00 H ATOM 203 HD2 LYS A 13 8.361 9.299 -1.342 1.00 0.00 H ATOM 204 HD3 LYS A 13 10.039 9.368 -0.803 1.00 0.00 H ATOM 205 HE2 LYS A 13 9.725 7.311 0.471 1.00 0.00 H ATOM 206 HE3 LYS A 13 8.033 7.252 -0.017 1.00 0.00 H ATOM 207 HZ1 LYS A 13 10.378 6.427 -1.450 1.00 0.00 H ATOM 208 HZ2 LYS A 13 9.369 7.420 -2.377 1.00 0.00 H ATOM 209 HZ3 LYS A 13 8.759 5.999 -1.692 1.00 0.00 H ATOM 210 N LYS A 14 8.004 8.141 4.090 1.00 0.00 N ATOM 211 CA LYS A 14 6.896 7.268 4.476 1.00 0.00 C ATOM 212 C LYS A 14 6.046 7.899 5.581 1.00 0.00 C ATOM 213 O LYS A 14 4.825 7.994 5.454 1.00 0.00 O ATOM 214 CB LYS A 14 7.430 5.908 4.950 1.00 0.00 C ATOM 215 CG LYS A 14 6.564 4.710 4.562 1.00 0.00 C ATOM 216 CD LYS A 14 5.076 4.982 4.746 1.00 0.00 C ATOM 217 CE LYS A 14 4.426 5.431 3.440 1.00 0.00 C ATOM 218 NZ LYS A 14 3.148 6.138 3.625 1.00 0.00 N1+ ATOM 219 H LYS A 14 8.923 7.813 4.180 1.00 0.00 H ATOM 220 HA LYS A 14 6.278 7.119 3.607 1.00 0.00 H ATOM 221 HB2 LYS A 14 8.411 5.757 4.526 1.00 0.00 H ATOM 222 HB3 LYS A 14 7.516 5.925 6.027 1.00 0.00 H ATOM 223 HG2 LYS A 14 6.746 4.472 3.525 1.00 0.00 H ATOM 224 HG3 LYS A 14 6.844 3.867 5.177 1.00 0.00 H ATOM 225 HD2 LYS A 14 4.592 4.076 5.081 1.00 0.00 H ATOM 226 HD3 LYS A 14 4.949 5.754 5.487 1.00 0.00 H ATOM 227 HE2 LYS A 14 5.109 6.089 2.924 1.00 0.00 H ATOM 228 HE3 LYS A 14 4.251 4.556 2.829 1.00 0.00 H ATOM 229 HZ1 LYS A 14 2.795 6.621 2.847 1.00 0.00 H ATOM 230 N LYS A 15 6.698 8.325 6.662 1.00 0.00 N ATOM 231 CA LYS A 15 6.000 8.942 7.791 1.00 0.00 C ATOM 232 C LYS A 15 5.293 10.233 7.377 1.00 0.00 C ATOM 233 O LYS A 15 4.193 10.520 7.844 1.00 0.00 O ATOM 234 CB LYS A 15 6.973 9.225 8.943 1.00 0.00 C ATOM 235 CG LYS A 15 6.305 9.815 10.178 1.00 0.00 C ATOM 236 CD LYS A 15 5.287 8.855 10.773 1.00 0.00 C ATOM 237 CE LYS A 15 4.605 9.443 12.001 1.00 0.00 C ATOM 238 NZ LYS A 15 5.576 9.765 13.086 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.673 8.219 6.702 1.00 0.00 H ATOM 240 HA LYS A 15 5.253 8.239 8.131 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.453 8.301 9.229 1.00 0.00 H ATOM 242 HB3 LYS A 15 7.725 9.921 8.601 1.00 0.00 H ATOM 243 HG2 LYS A 15 7.062 10.026 10.919 1.00 0.00 H ATOM 244 HG3 LYS A 15 5.805 10.732 9.901 1.00 0.00 H ATOM 245 HD2 LYS A 15 4.535 8.639 10.028 1.00 0.00 H ATOM 246 HD3 LYS A 15 5.790 7.941 11.053 1.00 0.00 H ATOM 247 HE2 LYS A 15 4.090 10.348 11.714 1.00 0.00 H ATOM 248 HE3 LYS A 15 3.888 8.727 12.374 1.00 0.00 H ATOM 249 HZ1 LYS A 15 5.095 9.761 14.008 1.00 0.00 H ATOM 250 HZ2 LYS A 15 5.989 10.706 12.929 1.00 0.00 H ATOM 251 HZ3 LYS A 15 6.342 9.061 13.104 1.00 0.00 H ATOM 252 N ASN A 16 5.932 11.011 6.504 1.00 0.00 N ATOM 253 CA ASN A 16 5.354 12.269 6.034 1.00 0.00 C ATOM 254 C ASN A 16 4.162 12.014 5.108 1.00 0.00 C ATOM 255 O ASN A 16 3.115 12.649 5.238 1.00 0.00 O ATOM 256 CB ASN A 16 6.415 13.098 5.302 1.00 0.00 C ATOM 257 CG ASN A 16 5.890 14.448 4.850 1.00 0.00 C ATOM 258 OD1 ASN A 16 5.512 15.286 5.668 1.00 0.00 O ATOM 259 ND2 ASN A 16 5.857 14.666 3.537 1.00 0.00 N ATOM 260 H ASN A 16 6.809 10.733 6.169 1.00 0.00 H ATOM 261 HA ASN A 16 5.013 12.819 6.897 1.00 0.00 H ATOM 262 HB2 ASN A 16 7.251 13.262 5.963 1.00 0.00 H ATOM 263 HB3 ASN A 16 6.750 12.552 4.433 1.00 0.00 H ATOM 264 HD21 ASN A 16 6.169 13.953 2.940 1.00 0.00 H ATOM 265 HD22 ASN A 16 5.520 15.529 3.219 1.00 0.00 H ATOM 266 N GLN A 17 4.344 11.090 4.163 1.00 0.00 N ATOM 267 CA GLN A 17 3.305 10.747 3.189 1.00 0.00 C ATOM 268 C GLN A 17 2.108 10.033 3.824 1.00 0.00 C ATOM 269 O GLN A 17 0.963 10.288 3.446 1.00 0.00 O ATOM 270 CB GLN A 17 3.901 9.872 2.082 1.00 0.00 C ATOM 271 CG GLN A 17 2.895 9.442 1.021 1.00 0.00 C ATOM 272 CD GLN A 17 3.514 8.644 -0.124 1.00 0.00 C ATOM 273 OE1 GLN A 17 2.798 8.157 -0.998 1.00 0.00 O ATOM 274 NE2 GLN A 17 4.843 8.509 -0.143 1.00 0.00 N ATOM 275 H GLN A 17 5.209 10.633 4.111 1.00 0.00 H ATOM 276 HA GLN A 17 2.958 11.667 2.748 1.00 0.00 H ATOM 277 HB2 GLN A 17 4.692 10.420 1.594 1.00 0.00 H ATOM 278 HB3 GLN A 17 4.318 8.981 2.530 1.00 0.00 H ATOM 279 HG2 GLN A 17 2.140 8.830 1.492 1.00 0.00 H ATOM 280 HG3 GLN A 17 2.428 10.327 0.610 1.00 0.00 H ATOM 281 HE21 GLN A 17 5.368 8.923 0.572 1.00 0.00 H ATOM 282 HE22 GLN A 17 5.242 7.998 -0.878 1.00 0.00 H ATOM 283 N ASP A 18 2.371 9.123 4.762 1.00 0.00 N ATOM 284 CA ASP A 18 1.298 8.361 5.407 1.00 0.00 C ATOM 285 C ASP A 18 1.537 8.194 6.912 1.00 0.00 C ATOM 286 O ASP A 18 1.337 7.114 7.471 1.00 0.00 O ATOM 287 CB ASP A 18 1.160 6.993 4.723 1.00 0.00 C ATOM 288 CG ASP A 18 2.446 6.183 4.765 1.00 0.00 C ATOM 289 OD1 ASP A 18 2.802 5.633 5.807 1.00 0.00 O ATOM 290 H ASP A 18 3.303 8.945 5.009 1.00 0.00 H ATOM 291 HA ASP A 18 0.379 8.909 5.269 1.00 0.00 H ATOM 292 HB2 ASP A 18 0.387 6.428 5.219 1.00 0.00 H ATOM 293 HB3 ASP A 18 0.885 7.142 3.689 1.00 0.00 H HETATM 294 N NH2 A 19 1.931 9.272 7.577 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.074 10.103 7.076 1.00 0.00 H HETATM 296 HN2 NH2 A 19 2.061 9.196 8.546 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 18 ATOM 1 N PHE A 1 16.510 10.844 19.252 1.00 0.00 N ATOM 2 CA PHE A 1 17.558 11.412 18.409 1.00 0.00 C ATOM 3 C PHE A 1 18.851 10.605 18.559 1.00 0.00 C ATOM 4 O PHE A 1 19.878 11.130 18.995 1.00 0.00 O ATOM 5 CB PHE A 1 17.792 12.880 18.781 1.00 0.00 C ATOM 6 CG PHE A 1 18.044 13.785 17.601 1.00 0.00 C ATOM 7 CD1 PHE A 1 19.042 13.497 16.681 1.00 0.00 C ATOM 8 CD2 PHE A 1 17.281 14.929 17.416 1.00 0.00 C ATOM 9 CE1 PHE A 1 19.272 14.331 15.603 1.00 0.00 C ATOM 10 CE2 PHE A 1 17.506 15.767 16.339 1.00 0.00 C ATOM 11 CZ PHE A 1 18.503 15.467 15.431 1.00 0.00 C ATOM 12 H1 PHE A 1 16.745 10.504 20.139 1.00 0.00 H ATOM 13 HA PHE A 1 17.228 11.354 17.382 1.00 0.00 H ATOM 14 HB2 PHE A 1 16.924 13.251 19.301 1.00 0.00 H ATOM 15 HB3 PHE A 1 18.648 12.944 19.439 1.00 0.00 H ATOM 16 HD1 PHE A 1 19.643 12.610 16.811 1.00 0.00 H ATOM 17 HD2 PHE A 1 16.501 15.164 18.125 1.00 0.00 H ATOM 18 HE1 PHE A 1 20.052 14.095 14.894 1.00 0.00 H ATOM 19 HE2 PHE A 1 16.904 16.653 16.209 1.00 0.00 H ATOM 20 HZ PHE A 1 18.681 16.119 14.589 1.00 0.00 H ATOM 21 N GLY A 2 18.782 9.320 18.207 1.00 0.00 N ATOM 22 CA GLY A 2 19.937 8.450 18.318 1.00 0.00 C ATOM 23 C GLY A 2 21.056 8.823 17.360 1.00 0.00 C ATOM 24 O GLY A 2 21.090 9.934 16.827 1.00 0.00 O ATOM 25 H GLY A 2 17.934 8.957 17.877 1.00 0.00 H ATOM 26 HA2 GLY A 2 20.313 8.498 19.329 1.00 0.00 H ATOM 27 HA3 GLY A 2 19.626 7.438 18.111 1.00 0.00 H ATOM 28 N GLY A 3 21.974 7.888 17.143 1.00 0.00 N ATOM 29 CA GLY A 3 23.092 8.132 16.247 1.00 0.00 C ATOM 30 C GLY A 3 22.675 8.226 14.790 1.00 0.00 C ATOM 31 O GLY A 3 21.917 9.122 14.408 1.00 0.00 O ATOM 32 H GLY A 3 21.893 7.022 17.597 1.00 0.00 H ATOM 33 HA2 GLY A 3 23.567 9.060 16.530 1.00 0.00 H ATOM 34 HA3 GLY A 3 23.805 7.329 16.356 1.00 0.00 H ATOM 35 N PHE A 4 23.175 7.296 13.980 1.00 0.00 N ATOM 36 CA PHE A 4 22.865 7.253 12.546 1.00 0.00 C ATOM 37 C PHE A 4 21.352 7.165 12.293 1.00 0.00 C ATOM 38 O PHE A 4 20.590 6.738 13.164 1.00 0.00 O ATOM 39 CB PHE A 4 23.596 6.072 11.873 1.00 0.00 C ATOM 40 CG PHE A 4 23.593 4.797 12.678 1.00 0.00 C ATOM 41 CD1 PHE A 4 22.435 4.339 13.284 1.00 0.00 C ATOM 42 CD2 PHE A 4 24.757 4.060 12.825 1.00 0.00 C ATOM 43 CE1 PHE A 4 22.438 3.175 14.024 1.00 0.00 C ATOM 44 CE2 PHE A 4 24.766 2.893 13.562 1.00 0.00 C ATOM 45 CZ PHE A 4 23.605 2.450 14.163 1.00 0.00 C ATOM 46 H PHE A 4 23.771 6.617 14.356 1.00 0.00 H ATOM 47 HA PHE A 4 23.229 8.173 12.111 1.00 0.00 H ATOM 48 HB2 PHE A 4 23.125 5.859 10.925 1.00 0.00 H ATOM 49 HB3 PHE A 4 24.626 6.349 11.699 1.00 0.00 H ATOM 50 HD1 PHE A 4 21.524 4.901 13.176 1.00 0.00 H ATOM 51 HD2 PHE A 4 25.666 4.407 12.355 1.00 0.00 H ATOM 52 HE1 PHE A 4 21.528 2.832 14.492 1.00 0.00 H ATOM 53 HE2 PHE A 4 25.680 2.330 13.669 1.00 0.00 H ATOM 54 HZ PHE A 4 23.606 1.537 14.740 1.00 0.00 H ATOM 55 N THR A 5 20.927 7.580 11.096 1.00 0.00 N ATOM 56 CA THR A 5 19.509 7.550 10.723 1.00 0.00 C ATOM 57 C THR A 5 19.339 7.147 9.248 1.00 0.00 C ATOM 58 O THR A 5 18.567 7.761 8.505 1.00 0.00 O ATOM 59 CB THR A 5 18.841 8.923 10.962 1.00 0.00 C ATOM 60 OG1 THR A 5 19.348 9.895 10.032 1.00 0.00 O ATOM 61 CG2 THR A 5 19.090 9.400 12.391 1.00 0.00 C ATOM 62 H THR A 5 21.580 7.917 10.451 1.00 0.00 H ATOM 63 HA THR A 5 19.015 6.818 11.346 1.00 0.00 H ATOM 64 HB THR A 5 17.775 8.820 10.813 1.00 0.00 H ATOM 65 HG1 THR A 5 20.306 9.923 10.079 1.00 0.00 H ATOM 66 HG21 THR A 5 18.503 10.285 12.589 1.00 0.00 H ATOM 67 HG22 THR A 5 20.137 9.628 12.515 1.00 0.00 H ATOM 68 HG23 THR A 5 18.807 8.621 13.085 1.00 0.00 H ATOM 69 N GLY A 6 20.082 6.120 8.832 1.00 0.00 N ATOM 70 CA GLY A 6 20.034 5.657 7.450 1.00 0.00 C ATOM 71 C GLY A 6 18.639 5.307 6.951 1.00 0.00 C ATOM 72 O GLY A 6 18.171 5.889 5.968 1.00 0.00 O ATOM 73 H GLY A 6 20.686 5.682 9.467 1.00 0.00 H ATOM 74 HA2 GLY A 6 20.440 6.431 6.817 1.00 0.00 H ATOM 75 HA3 GLY A 6 20.662 4.784 7.364 1.00 0.00 H ATOM 76 N LYS A 7 17.970 4.362 7.617 1.00 0.00 N ATOM 77 CA LYS A 7 16.619 3.955 7.211 1.00 0.00 C ATOM 78 C LYS A 7 15.623 5.085 7.441 1.00 0.00 C ATOM 79 O LYS A 7 14.586 5.154 6.777 1.00 0.00 O ATOM 80 CB LYS A 7 16.147 2.713 7.972 1.00 0.00 C ATOM 81 CG LYS A 7 15.922 2.961 9.453 1.00 0.00 C ATOM 82 CD LYS A 7 14.841 2.052 10.024 1.00 0.00 C ATOM 83 CE LYS A 7 13.540 2.121 9.221 1.00 0.00 C ATOM 84 NZ LYS A 7 13.042 3.494 9.057 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.389 3.935 8.395 1.00 0.00 H ATOM 86 HA LYS A 7 16.646 3.730 6.158 1.00 0.00 H ATOM 87 HB2 LYS A 7 15.218 2.373 7.540 1.00 0.00 H ATOM 88 HB3 LYS A 7 16.887 1.934 7.869 1.00 0.00 H ATOM 89 HG2 LYS A 7 16.846 2.773 9.979 1.00 0.00 H ATOM 90 HG3 LYS A 7 15.630 3.991 9.594 1.00 0.00 H ATOM 91 HD2 LYS A 7 15.201 1.035 10.013 1.00 0.00 H ATOM 92 HD3 LYS A 7 14.640 2.354 11.041 1.00 0.00 H ATOM 93 HE2 LYS A 7 13.704 1.694 8.244 1.00 0.00 H ATOM 94 HE3 LYS A 7 12.790 1.539 9.740 1.00 0.00 H ATOM 95 HZ1 LYS A 7 13.547 4.215 9.488 1.00 0.00 H ATOM 96 N ARG A 8 15.944 5.962 8.395 1.00 0.00 N ATOM 97 CA ARG A 8 15.094 7.089 8.733 1.00 0.00 C ATOM 98 C ARG A 8 14.735 7.887 7.484 1.00 0.00 C ATOM 99 O ARG A 8 13.665 8.488 7.415 1.00 0.00 O ATOM 100 CB ARG A 8 15.816 7.975 9.751 1.00 0.00 C ATOM 101 CG ARG A 8 14.901 8.614 10.784 1.00 0.00 C ATOM 102 CD ARG A 8 14.051 7.574 11.507 1.00 0.00 C ATOM 103 NE ARG A 8 14.853 6.447 12.001 1.00 0.00 N ATOM 104 CZ ARG A 8 15.766 6.550 12.966 1.00 0.00 C ATOM 105 NH1 ARG A 8 15.907 7.689 13.634 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 16.524 5.500 13.280 1.00 0.00 N ATOM 107 H ARG A 8 16.784 5.846 8.886 1.00 0.00 H ATOM 108 HA ARG A 8 14.190 6.705 9.179 1.00 0.00 H ATOM 109 HB2 ARG A 8 16.549 7.376 10.274 1.00 0.00 H ATOM 110 HB3 ARG A 8 16.327 8.762 9.220 1.00 0.00 H ATOM 111 HG2 ARG A 8 15.507 9.136 11.509 1.00 0.00 H ATOM 112 HG3 ARG A 8 14.249 9.316 10.287 1.00 0.00 H ATOM 113 HD2 ARG A 8 13.561 8.048 12.345 1.00 0.00 H ATOM 114 HD3 ARG A 8 13.305 7.200 10.821 1.00 0.00 H ATOM 115 HE ARG A 8 14.726 5.578 11.565 1.00 0.00 H ATOM 116 HH11 ARG A 8 15.327 8.472 13.416 1.00 0.00 H ATOM 117 HH12 ARG A 8 16.594 7.764 14.358 1.00 0.00 H ATOM 118 HH21 ARG A 8 16.409 4.635 12.792 1.00 0.00 H ATOM 119 HH22 ARG A 8 17.212 5.577 14.002 1.00 0.00 H ATOM 120 N LYS A 9 15.641 7.882 6.497 1.00 0.00 N ATOM 121 CA LYS A 9 15.416 8.602 5.245 1.00 0.00 C ATOM 122 C LYS A 9 14.117 8.155 4.591 1.00 0.00 C ATOM 123 O LYS A 9 13.225 8.968 4.342 1.00 0.00 O ATOM 124 CB LYS A 9 16.574 8.380 4.271 1.00 0.00 C ATOM 125 CG LYS A 9 17.895 8.935 4.757 1.00 0.00 C ATOM 126 CD LYS A 9 19.017 8.618 3.786 1.00 0.00 C ATOM 127 CE LYS A 9 20.194 9.561 3.970 1.00 0.00 C ATOM 128 NZ LYS A 9 19.828 10.980 3.688 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.477 7.380 6.612 1.00 0.00 H ATOM 130 HA LYS A 9 15.351 9.653 5.477 1.00 0.00 H ATOM 131 HB2 LYS A 9 16.694 7.319 4.101 1.00 0.00 H ATOM 132 HB3 LYS A 9 16.334 8.859 3.334 1.00 0.00 H ATOM 133 HG2 LYS A 9 17.807 10.005 4.857 1.00 0.00 H ATOM 134 HG3 LYS A 9 18.128 8.498 5.717 1.00 0.00 H ATOM 135 HD2 LYS A 9 19.352 7.605 3.959 1.00 0.00 H ATOM 136 HD3 LYS A 9 18.642 8.709 2.775 1.00 0.00 H ATOM 137 HE2 LYS A 9 20.541 9.484 4.989 1.00 0.00 H ATOM 138 HE3 LYS A 9 20.985 9.263 3.298 1.00 0.00 H ATOM 139 HZ1 LYS A 9 20.604 11.457 3.187 1.00 0.00 H ATOM 140 HZ2 LYS A 9 19.644 11.486 4.579 1.00 0.00 H ATOM 141 HZ3 LYS A 9 18.973 11.020 3.099 1.00 0.00 H ATOM 142 N SER A 10 14.017 6.852 4.323 1.00 0.00 N ATOM 143 CA SER A 10 12.828 6.282 3.701 1.00 0.00 C ATOM 144 C SER A 10 11.677 6.175 4.700 1.00 0.00 C ATOM 145 O SER A 10 10.521 6.396 4.336 1.00 0.00 O ATOM 146 CB SER A 10 13.133 4.907 3.097 1.00 0.00 C ATOM 147 OG SER A 10 13.575 3.997 4.087 1.00 0.00 O ATOM 148 H SER A 10 14.763 6.262 4.554 1.00 0.00 H ATOM 149 HA SER A 10 12.528 6.949 2.908 1.00 0.00 H ATOM 150 HB2 SER A 10 12.239 4.514 2.637 1.00 0.00 H ATOM 151 HB3 SER A 10 13.903 5.012 2.348 1.00 0.00 H ATOM 152 HG SER A 10 13.220 3.125 3.902 1.00 0.00 H ATOM 153 N ASP A 11 11.990 5.842 5.957 1.00 0.00 N ATOM 154 CA ASP A 11 10.959 5.722 6.985 1.00 0.00 C ATOM 155 C ASP A 11 10.208 7.043 7.151 1.00 0.00 C ATOM 156 O ASP A 11 8.977 7.055 7.212 1.00 0.00 O ATOM 157 CB ASP A 11 11.554 5.280 8.335 1.00 0.00 C ATOM 158 CG ASP A 11 11.936 3.805 8.374 1.00 0.00 C ATOM 159 OD1 ASP A 11 11.229 2.956 7.828 1.00 0.00 O ATOM 160 H ASP A 11 12.928 5.681 6.195 1.00 0.00 H ATOM 161 HA ASP A 11 10.257 4.970 6.653 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.441 5.858 8.536 1.00 0.00 H ATOM 163 HB3 ASP A 11 10.827 5.466 9.116 1.00 0.00 H ATOM 164 N ARG A 12 10.952 8.159 7.213 1.00 0.00 N ATOM 165 CA ARG A 12 10.336 9.483 7.360 1.00 0.00 C ATOM 166 C ARG A 12 9.595 9.876 6.080 1.00 0.00 C ATOM 167 O ARG A 12 8.536 10.502 6.139 1.00 0.00 O ATOM 168 CB ARG A 12 11.363 10.577 7.718 1.00 0.00 C ATOM 169 CG ARG A 12 12.220 11.057 6.550 1.00 0.00 C ATOM 170 CD ARG A 12 12.821 12.435 6.821 1.00 0.00 C ATOM 171 NE ARG A 12 11.786 13.434 7.117 1.00 0.00 N ATOM 172 CZ ARG A 12 10.808 13.771 6.272 1.00 0.00 C ATOM 173 NH1 ARG A 12 10.811 13.312 5.025 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 9.842 14.598 6.663 1.00 0.00 N ATOM 175 H ARG A 12 11.927 8.086 7.151 1.00 0.00 H ATOM 176 HA ARG A 12 9.613 9.413 8.156 1.00 0.00 H ATOM 177 HB2 ARG A 12 10.831 11.433 8.110 1.00 0.00 H ATOM 178 HB3 ARG A 12 12.022 10.198 8.485 1.00 0.00 H ATOM 179 HG2 ARG A 12 13.021 10.354 6.389 1.00 0.00 H ATOM 180 HG3 ARG A 12 11.602 11.112 5.668 1.00 0.00 H ATOM 181 HD2 ARG A 12 13.495 12.364 7.664 1.00 0.00 H ATOM 182 HD3 ARG A 12 13.373 12.751 5.948 1.00 0.00 H ATOM 183 HE ARG A 12 11.800 13.846 8.009 1.00 0.00 H ATOM 184 HH11 ARG A 12 11.549 12.715 4.713 1.00 0.00 H ATOM 185 HH12 ARG A 12 10.073 13.559 4.400 1.00 0.00 H ATOM 186 HH21 ARG A 12 9.845 14.970 7.591 1.00 0.00 H ATOM 187 HH22 ARG A 12 9.107 14.844 6.029 1.00 0.00 H ATOM 188 N LYS A 13 10.167 9.516 4.923 1.00 0.00 N ATOM 189 CA LYS A 13 9.562 9.841 3.636 1.00 0.00 C ATOM 190 C LYS A 13 8.118 9.332 3.597 1.00 0.00 C ATOM 191 O LYS A 13 7.208 10.059 3.194 1.00 0.00 O ATOM 192 CB LYS A 13 10.393 9.248 2.486 1.00 0.00 C ATOM 193 CG LYS A 13 10.295 10.045 1.185 1.00 0.00 C ATOM 194 CD LYS A 13 8.908 9.966 0.562 1.00 0.00 C ATOM 195 CE LYS A 13 8.531 11.269 -0.131 1.00 0.00 C ATOM 196 NZ LYS A 13 9.230 11.452 -1.434 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.017 9.027 4.940 1.00 0.00 H ATOM 198 HA LYS A 13 9.552 10.917 3.543 1.00 0.00 H ATOM 199 HB2 LYS A 13 11.430 9.217 2.789 1.00 0.00 H ATOM 200 HB3 LYS A 13 10.055 8.240 2.292 1.00 0.00 H ATOM 201 HG2 LYS A 13 10.522 11.081 1.395 1.00 0.00 H ATOM 202 HG3 LYS A 13 11.019 9.655 0.485 1.00 0.00 H ATOM 203 HD2 LYS A 13 8.901 9.171 -0.169 1.00 0.00 H ATOM 204 HD3 LYS A 13 8.184 9.753 1.332 1.00 0.00 H ATOM 205 HE2 LYS A 13 7.465 11.277 -0.299 1.00 0.00 H ATOM 206 HE3 LYS A 13 8.792 12.089 0.523 1.00 0.00 H ATOM 207 HZ1 LYS A 13 10.234 11.679 -1.277 1.00 0.00 H ATOM 208 HZ2 LYS A 13 8.791 12.231 -1.965 1.00 0.00 H ATOM 209 HZ3 LYS A 13 9.164 10.583 -2.002 1.00 0.00 H ATOM 210 N LYS A 14 7.908 8.090 4.056 1.00 0.00 N ATOM 211 CA LYS A 14 6.570 7.500 4.104 1.00 0.00 C ATOM 212 C LYS A 14 5.732 8.155 5.205 1.00 0.00 C ATOM 213 O LYS A 14 4.551 8.440 5.004 1.00 0.00 O ATOM 214 CB LYS A 14 6.623 5.980 4.334 1.00 0.00 C ATOM 215 CG LYS A 14 5.238 5.349 4.476 1.00 0.00 C ATOM 216 CD LYS A 14 4.386 5.541 3.227 1.00 0.00 C ATOM 217 CE LYS A 14 2.913 5.253 3.502 1.00 0.00 C ATOM 218 NZ LYS A 14 2.317 6.242 4.399 1.00 0.00 N1+ ATOM 219 H LYS A 14 8.669 7.572 4.390 1.00 0.00 H ATOM 220 HA LYS A 14 6.095 7.691 3.155 1.00 0.00 H ATOM 221 HB2 LYS A 14 7.131 5.511 3.504 1.00 0.00 H ATOM 222 HB3 LYS A 14 7.174 5.783 5.242 1.00 0.00 H ATOM 223 HG2 LYS A 14 5.349 4.292 4.662 1.00 0.00 H ATOM 224 HG3 LYS A 14 4.736 5.809 5.314 1.00 0.00 H ATOM 225 HD2 LYS A 14 4.485 6.561 2.888 1.00 0.00 H ATOM 226 HD3 LYS A 14 4.736 4.868 2.457 1.00 0.00 H ATOM 227 HE2 LYS A 14 2.376 5.265 2.566 1.00 0.00 H ATOM 228 HE3 LYS A 14 2.826 4.275 3.952 1.00 0.00 H ATOM 229 HZ1 LYS A 14 2.741 6.375 5.273 1.00 0.00 H ATOM 230 N LYS A 15 6.349 8.389 6.371 1.00 0.00 N ATOM 231 CA LYS A 15 5.661 9.009 7.502 1.00 0.00 C ATOM 232 C LYS A 15 4.971 10.302 7.069 1.00 0.00 C ATOM 233 O LYS A 15 3.823 10.551 7.432 1.00 0.00 O ATOM 234 CB LYS A 15 6.647 9.292 8.642 1.00 0.00 C ATOM 235 CG LYS A 15 6.004 9.955 9.852 1.00 0.00 C ATOM 236 CD LYS A 15 4.896 9.103 10.455 1.00 0.00 C ATOM 237 CE LYS A 15 3.932 9.955 11.269 1.00 0.00 C ATOM 238 NZ LYS A 15 3.203 10.939 10.413 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.289 8.139 6.470 1.00 0.00 H ATOM 240 HA LYS A 15 4.910 8.317 7.853 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.095 8.361 8.959 1.00 0.00 H ATOM 242 HB3 LYS A 15 7.424 9.946 8.274 1.00 0.00 H ATOM 243 HG2 LYS A 15 6.761 10.117 10.604 1.00 0.00 H ATOM 244 HG3 LYS A 15 5.589 10.904 9.551 1.00 0.00 H ATOM 245 HD2 LYS A 15 4.353 8.615 9.661 1.00 0.00 H ATOM 246 HD3 LYS A 15 5.337 8.359 11.103 1.00 0.00 H ATOM 247 HE2 LYS A 15 3.212 9.308 11.749 1.00 0.00 H ATOM 248 HE3 LYS A 15 4.493 10.490 12.021 1.00 0.00 H ATOM 249 HZ1 LYS A 15 3.717 11.843 10.389 1.00 0.00 H ATOM 250 HZ2 LYS A 15 2.250 11.105 10.790 1.00 0.00 H ATOM 251 HZ3 LYS A 15 3.119 10.576 9.440 1.00 0.00 H ATOM 252 N ASN A 16 5.682 11.115 6.287 1.00 0.00 N ATOM 253 CA ASN A 16 5.135 12.378 5.798 1.00 0.00 C ATOM 254 C ASN A 16 4.142 12.139 4.648 1.00 0.00 C ATOM 255 O ASN A 16 3.086 12.775 4.595 1.00 0.00 O ATOM 256 CB ASN A 16 6.263 13.318 5.355 1.00 0.00 C ATOM 257 CG ASN A 16 5.764 14.715 5.041 1.00 0.00 C ATOM 258 OD1 ASN A 16 5.078 14.934 4.043 1.00 0.00 O ATOM 259 ND2 ASN A 16 6.089 15.671 5.908 1.00 0.00 N ATOM 260 H ASN A 16 6.594 10.855 6.030 1.00 0.00 H ATOM 261 HA ASN A 16 4.604 12.839 6.616 1.00 0.00 H ATOM 262 HB2 ASN A 16 6.997 13.387 6.139 1.00 0.00 H ATOM 263 HB3 ASN A 16 6.732 12.917 4.473 1.00 0.00 H ATOM 264 HD21 ASN A 16 6.619 15.424 6.692 1.00 0.00 H ATOM 265 HD22 ASN A 16 5.785 16.585 5.725 1.00 0.00 H ATOM 266 N GLN A 17 4.486 11.215 3.738 1.00 0.00 N ATOM 267 CA GLN A 17 3.630 10.879 2.591 1.00 0.00 C ATOM 268 C GLN A 17 2.197 10.574 3.045 1.00 0.00 C ATOM 269 O GLN A 17 1.233 11.077 2.461 1.00 0.00 O ATOM 270 CB GLN A 17 4.207 9.671 1.835 1.00 0.00 C ATOM 271 CG GLN A 17 3.465 9.329 0.543 1.00 0.00 C ATOM 272 CD GLN A 17 3.595 10.398 -0.536 1.00 0.00 C ATOM 273 OE1 GLN A 17 4.702 10.755 -0.943 1.00 0.00 O ATOM 274 NE2 GLN A 17 2.461 10.908 -1.015 1.00 0.00 N ATOM 275 H GLN A 17 5.337 10.743 3.843 1.00 0.00 H ATOM 276 HA GLN A 17 3.610 11.729 1.928 1.00 0.00 H ATOM 277 HB2 GLN A 17 5.240 9.874 1.588 1.00 0.00 H ATOM 278 HB3 GLN A 17 4.170 8.809 2.483 1.00 0.00 H ATOM 279 HG2 GLN A 17 3.863 8.406 0.154 1.00 0.00 H ATOM 280 HG3 GLN A 17 2.418 9.197 0.775 1.00 0.00 H ATOM 281 HE21 GLN A 17 1.612 10.579 -0.653 1.00 0.00 H ATOM 282 HE22 GLN A 17 2.523 11.596 -1.714 1.00 0.00 H ATOM 283 N ASP A 18 2.063 9.752 4.087 1.00 0.00 N ATOM 284 CA ASP A 18 0.749 9.382 4.619 1.00 0.00 C ATOM 285 C ASP A 18 0.298 10.336 5.726 1.00 0.00 C ATOM 286 O ASP A 18 -0.887 10.645 5.845 1.00 0.00 O ATOM 287 CB ASP A 18 0.779 7.946 5.148 1.00 0.00 C ATOM 288 CG ASP A 18 1.244 6.966 4.092 1.00 0.00 C ATOM 289 OD1 ASP A 18 0.651 6.872 3.016 1.00 0.00 O ATOM 290 H ASP A 18 2.868 9.385 4.508 1.00 0.00 H ATOM 291 HA ASP A 18 0.040 9.437 3.807 1.00 0.00 H ATOM 292 HB2 ASP A 18 1.454 7.889 5.991 1.00 0.00 H ATOM 293 HB3 ASP A 18 -0.214 7.663 5.466 1.00 0.00 H HETATM 294 N NH2 A 19 1.239 10.788 6.553 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.166 10.507 6.402 1.00 0.00 H HETATM 296 HN2 NH2 A 19 0.965 11.382 7.282 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 19 ATOM 1 N PHE A 1 19.437 11.645 18.601 1.00 0.00 N ATOM 2 CA PHE A 1 19.103 10.819 17.445 1.00 0.00 C ATOM 3 C PHE A 1 18.293 9.590 17.865 1.00 0.00 C ATOM 4 O PHE A 1 18.518 9.027 18.938 1.00 0.00 O ATOM 5 CB PHE A 1 20.382 10.403 16.701 1.00 0.00 C ATOM 6 CG PHE A 1 21.325 9.559 17.517 1.00 0.00 C ATOM 7 CD1 PHE A 1 21.031 8.234 17.789 1.00 0.00 C ATOM 8 CD2 PHE A 1 22.509 10.093 18.003 1.00 0.00 C ATOM 9 CE1 PHE A 1 21.894 7.455 18.533 1.00 0.00 C ATOM 10 CE2 PHE A 1 23.377 9.318 18.748 1.00 0.00 C ATOM 11 CZ PHE A 1 23.068 7.998 19.014 1.00 0.00 C ATOM 12 H1 PHE A 1 18.760 11.798 19.294 1.00 0.00 H ATOM 13 HA PHE A 1 18.497 11.419 16.782 1.00 0.00 H ATOM 14 HB2 PHE A 1 20.110 9.837 15.823 1.00 0.00 H ATOM 15 HB3 PHE A 1 20.913 11.294 16.395 1.00 0.00 H ATOM 16 HD1 PHE A 1 20.114 7.809 17.413 1.00 0.00 H ATOM 17 HD2 PHE A 1 22.748 11.124 17.797 1.00 0.00 H ATOM 18 HE1 PHE A 1 21.650 6.424 18.739 1.00 0.00 H ATOM 19 HE2 PHE A 1 24.297 9.744 19.119 1.00 0.00 H ATOM 20 HZ PHE A 1 23.747 7.392 19.597 1.00 0.00 H ATOM 21 N GLY A 2 17.338 9.192 17.017 1.00 0.00 N ATOM 22 CA GLY A 2 16.494 8.040 17.314 1.00 0.00 C ATOM 23 C GLY A 2 17.247 6.719 17.279 1.00 0.00 C ATOM 24 O GLY A 2 18.372 6.621 17.772 1.00 0.00 O ATOM 25 H GLY A 2 17.201 9.689 16.185 1.00 0.00 H ATOM 26 HA2 GLY A 2 16.067 8.167 18.298 1.00 0.00 H ATOM 27 HA3 GLY A 2 15.693 8.002 16.591 1.00 0.00 H ATOM 28 N GLY A 3 16.616 5.696 16.702 1.00 0.00 N ATOM 29 CA GLY A 3 17.239 4.387 16.619 1.00 0.00 C ATOM 30 C GLY A 3 18.074 4.204 15.363 1.00 0.00 C ATOM 31 O GLY A 3 19.304 4.277 15.413 1.00 0.00 O ATOM 32 H GLY A 3 15.718 5.831 16.334 1.00 0.00 H ATOM 33 HA2 GLY A 3 17.875 4.249 17.481 1.00 0.00 H ATOM 34 HA3 GLY A 3 16.467 3.633 16.635 1.00 0.00 H ATOM 35 N PHE A 4 17.404 3.953 14.236 1.00 0.00 N ATOM 36 CA PHE A 4 18.090 3.743 12.961 1.00 0.00 C ATOM 37 C PHE A 4 18.364 5.067 12.250 1.00 0.00 C ATOM 38 O PHE A 4 17.491 5.932 12.170 1.00 0.00 O ATOM 39 CB PHE A 4 17.257 2.833 12.057 1.00 0.00 C ATOM 40 CG PHE A 4 18.029 1.675 11.488 1.00 0.00 C ATOM 41 CD1 PHE A 4 18.130 0.481 12.185 1.00 0.00 C ATOM 42 CD2 PHE A 4 18.659 1.782 10.258 1.00 0.00 C ATOM 43 CE1 PHE A 4 18.842 -0.582 11.665 1.00 0.00 C ATOM 44 CE2 PHE A 4 19.372 0.722 9.733 1.00 0.00 C ATOM 45 CZ PHE A 4 19.463 -0.462 10.437 1.00 0.00 C ATOM 46 H PHE A 4 16.425 3.899 14.265 1.00 0.00 H ATOM 47 HA PHE A 4 19.032 3.260 13.169 1.00 0.00 H ATOM 48 HB2 PHE A 4 16.432 2.432 12.625 1.00 0.00 H ATOM 49 HB3 PHE A 4 16.871 3.413 11.233 1.00 0.00 H ATOM 50 HD1 PHE A 4 17.643 0.384 13.145 1.00 0.00 H ATOM 51 HD2 PHE A 4 18.588 2.708 9.710 1.00 0.00 H ATOM 52 HE1 PHE A 4 18.913 -1.507 12.217 1.00 0.00 H ATOM 53 HE2 PHE A 4 19.856 0.820 8.772 1.00 0.00 H ATOM 54 HZ PHE A 4 20.019 -1.292 10.027 1.00 0.00 H ATOM 55 N THR A 5 19.583 5.213 11.731 1.00 0.00 N ATOM 56 CA THR A 5 19.985 6.430 11.022 1.00 0.00 C ATOM 57 C THR A 5 19.970 6.245 9.499 1.00 0.00 C ATOM 58 O THR A 5 19.637 7.175 8.763 1.00 0.00 O ATOM 59 CB THR A 5 21.390 6.903 11.467 1.00 0.00 C ATOM 60 OG1 THR A 5 21.752 8.098 10.764 1.00 0.00 O ATOM 61 CG2 THR A 5 22.446 5.831 11.222 1.00 0.00 C ATOM 62 H THR A 5 20.230 4.484 11.828 1.00 0.00 H ATOM 63 HA THR A 5 19.279 7.205 11.277 1.00 0.00 H ATOM 64 HB THR A 5 21.360 7.116 12.526 1.00 0.00 H ATOM 65 HG1 THR A 5 21.424 8.864 11.240 1.00 0.00 H ATOM 66 HG21 THR A 5 23.407 6.189 11.562 1.00 0.00 H ATOM 67 HG22 THR A 5 22.500 5.610 10.167 1.00 0.00 H ATOM 68 HG23 THR A 5 22.184 4.934 11.764 1.00 0.00 H ATOM 69 N GLY A 6 20.350 5.052 9.036 1.00 0.00 N ATOM 70 CA GLY A 6 20.393 4.773 7.607 1.00 0.00 C ATOM 71 C GLY A 6 19.040 4.880 6.920 1.00 0.00 C ATOM 72 O GLY A 6 18.934 5.482 5.850 1.00 0.00 O ATOM 73 H GLY A 6 20.617 4.356 9.672 1.00 0.00 H ATOM 74 HA2 GLY A 6 21.070 5.473 7.141 1.00 0.00 H ATOM 75 HA3 GLY A 6 20.777 3.774 7.462 1.00 0.00 H ATOM 76 N LYS A 7 18.009 4.286 7.524 1.00 0.00 N ATOM 77 CA LYS A 7 16.656 4.307 6.952 1.00 0.00 C ATOM 78 C LYS A 7 15.925 5.635 7.208 1.00 0.00 C ATOM 79 O LYS A 7 14.723 5.735 6.949 1.00 0.00 O ATOM 80 CB LYS A 7 15.819 3.163 7.533 1.00 0.00 C ATOM 81 CG LYS A 7 15.598 3.289 9.034 1.00 0.00 C ATOM 82 CD LYS A 7 14.413 2.463 9.515 1.00 0.00 C ATOM 83 CE LYS A 7 13.149 2.754 8.712 1.00 0.00 C ATOM 84 NZ LYS A 7 12.891 4.190 8.564 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.160 3.816 8.369 1.00 0.00 H ATOM 86 HA LYS A 7 16.746 4.162 5.887 1.00 0.00 H ATOM 87 HB2 LYS A 7 14.857 3.150 7.045 1.00 0.00 H ATOM 88 HB3 LYS A 7 16.324 2.227 7.342 1.00 0.00 H ATOM 89 HG2 LYS A 7 16.486 2.948 9.542 1.00 0.00 H ATOM 90 HG3 LYS A 7 15.424 4.327 9.275 1.00 0.00 H ATOM 91 HD2 LYS A 7 14.653 1.415 9.420 1.00 0.00 H ATOM 92 HD3 LYS A 7 14.229 2.695 10.554 1.00 0.00 H ATOM 93 HE2 LYS A 7 13.254 2.316 7.731 1.00 0.00 H ATOM 94 HE3 LYS A 7 12.309 2.297 9.218 1.00 0.00 H ATOM 95 HZ1 LYS A 7 13.656 4.796 8.621 1.00 0.00 H ATOM 96 N ARG A 8 16.635 6.649 7.715 1.00 0.00 N ATOM 97 CA ARG A 8 16.018 7.946 7.998 1.00 0.00 C ATOM 98 C ARG A 8 15.407 8.577 6.754 1.00 0.00 C ATOM 99 O ARG A 8 14.350 9.196 6.837 1.00 0.00 O ATOM 100 CB ARG A 8 17.030 8.906 8.634 1.00 0.00 C ATOM 101 CG ARG A 8 17.093 8.791 10.149 1.00 0.00 C ATOM 102 CD ARG A 8 15.811 9.310 10.788 1.00 0.00 C ATOM 103 NE ARG A 8 15.276 8.393 11.794 1.00 0.00 N ATOM 104 CZ ARG A 8 15.851 8.143 12.976 1.00 0.00 C ATOM 105 NH1 ARG A 8 16.981 8.754 13.327 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 15.292 7.277 13.810 1.00 0.00 N ATOM 107 H ARG A 8 17.584 6.526 7.904 1.00 0.00 H ATOM 108 HA ARG A 8 15.224 7.771 8.707 1.00 0.00 H ATOM 109 HB2 ARG A 8 18.011 8.698 8.236 1.00 0.00 H ATOM 110 HB3 ARG A 8 16.757 9.921 8.384 1.00 0.00 H ATOM 111 HG2 ARG A 8 17.226 7.754 10.418 1.00 0.00 H ATOM 112 HG3 ARG A 8 17.927 9.373 10.511 1.00 0.00 H ATOM 113 HD2 ARG A 8 16.020 10.259 11.258 1.00 0.00 H ATOM 114 HD3 ARG A 8 15.070 9.452 10.014 1.00 0.00 H ATOM 115 HE ARG A 8 14.442 7.927 11.576 1.00 0.00 H ATOM 116 HH11 ARG A 8 17.414 9.410 12.708 1.00 0.00 H ATOM 117 HH12 ARG A 8 17.399 8.556 14.215 1.00 0.00 H ATOM 118 HH21 ARG A 8 14.443 6.813 13.555 1.00 0.00 H ATOM 119 HH22 ARG A 8 15.718 7.088 14.694 1.00 0.00 H ATOM 120 N LYS A 9 16.067 8.420 5.609 1.00 0.00 N ATOM 121 CA LYS A 9 15.565 8.987 4.356 1.00 0.00 C ATOM 122 C LYS A 9 14.236 8.347 3.948 1.00 0.00 C ATOM 123 O LYS A 9 13.265 9.049 3.652 1.00 0.00 O ATOM 124 CB LYS A 9 16.580 8.815 3.220 1.00 0.00 C ATOM 125 CG LYS A 9 17.943 9.444 3.491 1.00 0.00 C ATOM 126 CD LYS A 9 18.973 8.424 3.978 1.00 0.00 C ATOM 127 CE LYS A 9 19.509 7.553 2.842 1.00 0.00 C ATOM 128 NZ LYS A 9 18.466 6.661 2.257 1.00 0.00 N1+ ATOM 129 H LYS A 9 16.907 7.913 5.607 1.00 0.00 H ATOM 130 HA LYS A 9 15.401 10.041 4.520 1.00 0.00 H ATOM 131 HB2 LYS A 9 16.722 7.762 3.045 1.00 0.00 H ATOM 132 HB3 LYS A 9 16.174 9.265 2.326 1.00 0.00 H ATOM 133 HG2 LYS A 9 18.306 9.893 2.579 1.00 0.00 H ATOM 134 HG3 LYS A 9 17.828 10.209 4.245 1.00 0.00 H ATOM 135 HD2 LYS A 9 19.800 8.953 4.426 1.00 0.00 H ATOM 136 HD3 LYS A 9 18.514 7.787 4.718 1.00 0.00 H ATOM 137 HE2 LYS A 9 19.893 8.196 2.064 1.00 0.00 H ATOM 138 HE3 LYS A 9 20.313 6.944 3.228 1.00 0.00 H ATOM 139 HZ1 LYS A 9 18.913 5.917 1.684 1.00 0.00 H ATOM 140 HZ2 LYS A 9 17.824 7.209 1.647 1.00 0.00 H ATOM 141 HZ3 LYS A 9 17.911 6.212 3.014 1.00 0.00 H ATOM 142 N SER A 10 14.204 7.012 3.927 1.00 0.00 N ATOM 143 CA SER A 10 13.001 6.269 3.543 1.00 0.00 C ATOM 144 C SER A 10 11.842 6.524 4.508 1.00 0.00 C ATOM 145 O SER A 10 10.718 6.787 4.076 1.00 0.00 O ATOM 146 CB SER A 10 13.302 4.768 3.477 1.00 0.00 C ATOM 147 OG SER A 10 12.145 4.025 3.128 1.00 0.00 O ATOM 148 H SER A 10 15.014 6.514 4.168 1.00 0.00 H ATOM 149 HA SER A 10 12.710 6.607 2.562 1.00 0.00 H ATOM 150 HB2 SER A 10 14.064 4.589 2.734 1.00 0.00 H ATOM 151 HB3 SER A 10 13.653 4.432 4.440 1.00 0.00 H ATOM 152 HG SER A 10 11.785 3.602 3.913 1.00 0.00 H ATOM 153 N ASP A 11 12.119 6.435 5.807 1.00 0.00 N ATOM 154 CA ASP A 11 11.095 6.652 6.831 1.00 0.00 C ATOM 155 C ASP A 11 10.620 8.107 6.855 1.00 0.00 C ATOM 156 O ASP A 11 9.442 8.370 7.087 1.00 0.00 O ATOM 157 CB ASP A 11 11.604 6.221 8.211 1.00 0.00 C ATOM 158 CG ASP A 11 11.681 4.706 8.348 1.00 0.00 C ATOM 159 OD1 ASP A 11 10.664 4.015 8.252 1.00 0.00 O ATOM 160 H ASP A 11 13.034 6.218 6.087 1.00 0.00 H ATOM 161 HA ASP A 11 10.252 6.030 6.569 1.00 0.00 H ATOM 162 HB2 ASP A 11 12.591 6.628 8.370 1.00 0.00 H ATOM 163 HB3 ASP A 11 10.935 6.600 8.972 1.00 0.00 H ATOM 164 N ARG A 12 11.536 9.047 6.606 1.00 0.00 N ATOM 165 CA ARG A 12 11.195 10.474 6.588 1.00 0.00 C ATOM 166 C ARG A 12 10.115 10.765 5.546 1.00 0.00 C ATOM 167 O ARG A 12 9.122 11.432 5.842 1.00 0.00 O ATOM 168 CB ARG A 12 12.440 11.317 6.289 1.00 0.00 C ATOM 169 CG ARG A 12 12.956 12.112 7.480 1.00 0.00 C ATOM 170 CD ARG A 12 12.227 13.440 7.609 1.00 0.00 C ATOM 171 NE ARG A 12 12.448 14.291 6.438 1.00 0.00 N ATOM 172 CZ ARG A 12 11.901 15.495 6.266 1.00 0.00 C ATOM 173 NH1 ARG A 12 11.079 16.004 7.182 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 12.171 16.189 5.165 1.00 0.00 N ATOM 175 H ARG A 12 12.460 8.776 6.420 1.00 0.00 H ATOM 176 HA ARG A 12 10.817 10.736 7.563 1.00 0.00 H ATOM 177 HB2 ARG A 12 13.229 10.667 5.948 1.00 0.00 H ATOM 178 HB3 ARG A 12 12.200 12.015 5.500 1.00 0.00 H ATOM 179 HG2 ARG A 12 12.804 11.537 8.381 1.00 0.00 H ATOM 180 HG3 ARG A 12 14.011 12.302 7.343 1.00 0.00 H ATOM 181 HD2 ARG A 12 11.169 13.247 7.711 1.00 0.00 H ATOM 182 HD3 ARG A 12 12.587 13.952 8.489 1.00 0.00 H ATOM 183 HE ARG A 12 13.042 13.946 5.738 1.00 0.00 H ATOM 184 HH11 ARG A 12 10.865 15.485 8.010 1.00 0.00 H ATOM 185 HH12 ARG A 12 10.676 16.909 7.044 1.00 0.00 H ATOM 186 HH21 ARG A 12 12.781 15.805 4.471 1.00 0.00 H ATOM 187 HH22 ARG A 12 11.765 17.092 5.029 1.00 0.00 H ATOM 188 N LYS A 13 10.315 10.252 4.331 1.00 0.00 N ATOM 189 CA LYS A 13 9.356 10.447 3.241 1.00 0.00 C ATOM 190 C LYS A 13 8.043 9.718 3.531 1.00 0.00 C ATOM 191 O LYS A 13 6.961 10.269 3.323 1.00 0.00 O ATOM 192 CB LYS A 13 9.940 9.969 1.905 1.00 0.00 C ATOM 193 CG LYS A 13 10.886 10.959 1.227 1.00 0.00 C ATOM 194 CD LYS A 13 12.124 11.256 2.068 1.00 0.00 C ATOM 195 CE LYS A 13 11.894 12.409 3.040 1.00 0.00 C ATOM 196 NZ LYS A 13 11.676 13.707 2.339 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.125 9.726 4.164 1.00 0.00 H ATOM 198 HA LYS A 13 9.150 11.504 3.172 1.00 0.00 H ATOM 199 HB2 LYS A 13 10.486 9.054 2.078 1.00 0.00 H ATOM 200 HB3 LYS A 13 9.126 9.765 1.226 1.00 0.00 H ATOM 201 HG2 LYS A 13 11.201 10.546 0.282 1.00 0.00 H ATOM 202 HG3 LYS A 13 10.352 11.883 1.054 1.00 0.00 H ATOM 203 HD2 LYS A 13 12.382 10.372 2.631 1.00 0.00 H ATOM 204 HD3 LYS A 13 12.938 11.512 1.407 1.00 0.00 H ATOM 205 HE2 LYS A 13 11.027 12.189 3.640 1.00 0.00 H ATOM 206 HE3 LYS A 13 12.759 12.497 3.680 1.00 0.00 H ATOM 207 HZ1 LYS A 13 11.125 13.561 1.470 1.00 0.00 H ATOM 208 HZ2 LYS A 13 12.589 14.135 2.088 1.00 0.00 H ATOM 209 HZ3 LYS A 13 11.158 14.362 2.960 1.00 0.00 H ATOM 210 N LYS A 14 8.149 8.481 4.017 1.00 0.00 N ATOM 211 CA LYS A 14 6.971 7.677 4.346 1.00 0.00 C ATOM 212 C LYS A 14 6.177 8.320 5.488 1.00 0.00 C ATOM 213 O LYS A 14 4.949 8.256 5.506 1.00 0.00 O ATOM 214 CB LYS A 14 7.380 6.245 4.722 1.00 0.00 C ATOM 215 CG LYS A 14 6.610 5.163 3.971 1.00 0.00 C ATOM 216 CD LYS A 14 5.113 5.227 4.253 1.00 0.00 C ATOM 217 CE LYS A 14 4.796 4.855 5.695 1.00 0.00 C ATOM 218 NZ LYS A 14 3.936 5.849 6.340 1.00 0.00 N1+ ATOM 219 H LYS A 14 9.042 8.101 4.164 1.00 0.00 H ATOM 220 HA LYS A 14 6.339 7.644 3.467 1.00 0.00 H ATOM 221 HB2 LYS A 14 8.431 6.117 4.509 1.00 0.00 H ATOM 222 HB3 LYS A 14 7.219 6.103 5.780 1.00 0.00 H ATOM 223 HG2 LYS A 14 6.771 5.291 2.911 1.00 0.00 H ATOM 224 HG3 LYS A 14 6.982 4.196 4.277 1.00 0.00 H ATOM 225 HD2 LYS A 14 4.761 6.229 4.063 1.00 0.00 H ATOM 226 HD3 LYS A 14 4.607 4.536 3.594 1.00 0.00 H ATOM 227 HE2 LYS A 14 4.293 3.900 5.704 1.00 0.00 H ATOM 228 HE3 LYS A 14 5.720 4.781 6.248 1.00 0.00 H ATOM 229 HZ1 LYS A 14 4.364 6.478 6.956 1.00 0.00 H ATOM 230 N LYS A 15 6.885 8.952 6.435 1.00 0.00 N ATOM 231 CA LYS A 15 6.240 9.617 7.572 1.00 0.00 C ATOM 232 C LYS A 15 5.231 10.653 7.087 1.00 0.00 C ATOM 233 O LYS A 15 4.112 10.726 7.597 1.00 0.00 O ATOM 234 CB LYS A 15 7.281 10.287 8.482 1.00 0.00 C ATOM 235 CG LYS A 15 6.667 11.040 9.656 1.00 0.00 C ATOM 236 CD LYS A 15 7.725 11.746 10.491 1.00 0.00 C ATOM 237 CE LYS A 15 7.099 12.683 11.519 1.00 0.00 C ATOM 238 NZ LYS A 15 6.135 11.983 12.416 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.861 8.981 6.360 1.00 0.00 H ATOM 240 HA LYS A 15 5.715 8.863 8.137 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.941 9.528 8.874 1.00 0.00 H ATOM 242 HB3 LYS A 15 7.859 10.986 7.896 1.00 0.00 H ATOM 243 HG2 LYS A 15 5.973 11.776 9.277 1.00 0.00 H ATOM 244 HG3 LYS A 15 6.139 10.336 10.282 1.00 0.00 H ATOM 245 HD2 LYS A 15 8.315 11.004 11.010 1.00 0.00 H ATOM 246 HD3 LYS A 15 8.362 12.320 9.835 1.00 0.00 H ATOM 247 HE2 LYS A 15 7.886 13.112 12.121 1.00 0.00 H ATOM 248 HE3 LYS A 15 6.579 13.473 10.996 1.00 0.00 H ATOM 249 HZ1 LYS A 15 6.542 11.086 12.751 1.00 0.00 H ATOM 250 HZ2 LYS A 15 5.252 11.780 11.906 1.00 0.00 H ATOM 251 HZ3 LYS A 15 5.916 12.580 13.239 1.00 0.00 H ATOM 252 N ASN A 16 5.628 11.443 6.090 1.00 0.00 N ATOM 253 CA ASN A 16 4.751 12.465 5.520 1.00 0.00 C ATOM 254 C ASN A 16 3.625 11.811 4.716 1.00 0.00 C ATOM 255 O ASN A 16 2.478 12.261 4.753 1.00 0.00 O ATOM 256 CB ASN A 16 5.547 13.423 4.626 1.00 0.00 C ATOM 257 CG ASN A 16 6.695 14.096 5.360 1.00 0.00 C ATOM 258 OD1 ASN A 16 6.488 14.784 6.361 1.00 0.00 O ATOM 259 ND2 ASN A 16 7.913 13.904 4.864 1.00 0.00 N ATOM 260 H ASN A 16 6.530 11.324 5.720 1.00 0.00 H ATOM 261 HA ASN A 16 4.318 13.022 6.338 1.00 0.00 H ATOM 262 HB2 ASN A 16 5.954 12.872 3.791 1.00 0.00 H ATOM 263 HB3 ASN A 16 4.884 14.191 4.253 1.00 0.00 H ATOM 264 HD21 ASN A 16 8.005 13.346 4.062 1.00 0.00 H ATOM 265 HD22 ASN A 16 8.672 14.328 5.317 1.00 0.00 H ATOM 266 N GLN A 17 3.971 10.742 3.993 1.00 0.00 N ATOM 267 CA GLN A 17 3.011 10.001 3.172 1.00 0.00 C ATOM 268 C GLN A 17 1.878 9.417 4.017 1.00 0.00 C ATOM 269 O GLN A 17 0.701 9.634 3.719 1.00 0.00 O ATOM 270 CB GLN A 17 3.736 8.888 2.404 1.00 0.00 C ATOM 271 CG GLN A 17 4.540 9.403 1.220 1.00 0.00 C ATOM 272 CD GLN A 17 5.242 8.296 0.455 1.00 0.00 C ATOM 273 OE1 GLN A 17 6.034 7.540 1.018 1.00 0.00 O ATOM 274 NE2 GLN A 17 4.962 8.201 -0.840 1.00 0.00 N ATOM 275 H GLN A 17 4.902 10.439 4.014 1.00 0.00 H ATOM 276 HA GLN A 17 2.587 10.692 2.462 1.00 0.00 H ATOM 277 HB2 GLN A 17 4.417 8.386 3.078 1.00 0.00 H ATOM 278 HB3 GLN A 17 3.016 8.175 2.042 1.00 0.00 H ATOM 279 HG2 GLN A 17 3.869 9.914 0.547 1.00 0.00 H ATOM 280 HG3 GLN A 17 5.282 10.098 1.582 1.00 0.00 H ATOM 281 HE21 GLN A 17 4.327 8.841 -1.226 1.00 0.00 H ATOM 282 HE22 GLN A 17 5.402 7.495 -1.358 1.00 0.00 H ATOM 283 N ASP A 18 2.237 8.687 5.074 1.00 0.00 N ATOM 284 CA ASP A 18 1.248 8.078 5.966 1.00 0.00 C ATOM 285 C ASP A 18 0.529 9.149 6.789 1.00 0.00 C ATOM 286 O ASP A 18 -0.700 9.229 6.781 1.00 0.00 O ATOM 287 CB ASP A 18 1.911 7.053 6.897 1.00 0.00 C ATOM 288 CG ASP A 18 2.622 5.949 6.135 1.00 0.00 C ATOM 289 OD1 ASP A 18 2.000 5.205 5.376 1.00 0.00 O ATOM 290 H ASP A 18 3.190 8.558 5.260 1.00 0.00 H ATOM 291 HA ASP A 18 0.520 7.571 5.349 1.00 0.00 H ATOM 292 HB2 ASP A 18 2.632 7.558 7.521 1.00 0.00 H ATOM 293 HB3 ASP A 18 1.153 6.603 7.522 1.00 0.00 H HETATM 294 N NH2 A 19 1.294 9.977 7.496 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.268 9.857 7.459 1.00 0.00 H HETATM 296 HN2 NH2 A 19 0.855 10.675 8.026 1.00 0.00 H TER 297 NH2 A 19 ENDMDL MODEL 20 ATOM 1 N PHE A 1 25.121 16.481 7.717 1.00 0.00 N ATOM 2 CA PHE A 1 26.191 16.693 6.746 1.00 0.00 C ATOM 3 C PHE A 1 26.419 15.454 5.879 1.00 0.00 C ATOM 4 O PHE A 1 26.223 15.496 4.663 1.00 0.00 O ATOM 5 CB PHE A 1 27.495 17.073 7.458 1.00 0.00 C ATOM 6 CG PHE A 1 27.593 18.526 7.831 1.00 0.00 C ATOM 7 CD1 PHE A 1 26.522 19.192 8.410 1.00 0.00 C ATOM 8 CD2 PHE A 1 28.765 19.227 7.601 1.00 0.00 C ATOM 9 CE1 PHE A 1 26.622 20.529 8.750 1.00 0.00 C ATOM 10 CE2 PHE A 1 28.870 20.563 7.938 1.00 0.00 C ATOM 11 CZ PHE A 1 27.798 21.215 8.513 1.00 0.00 C ATOM 12 H1 PHE A 1 25.349 16.263 8.647 1.00 0.00 H ATOM 13 HA PHE A 1 25.893 17.511 6.107 1.00 0.00 H ATOM 14 HB2 PHE A 1 27.581 16.495 8.367 1.00 0.00 H ATOM 15 HB3 PHE A 1 28.328 16.837 6.812 1.00 0.00 H ATOM 16 HD1 PHE A 1 25.603 18.658 8.596 1.00 0.00 H ATOM 17 HD2 PHE A 1 29.605 18.719 7.150 1.00 0.00 H ATOM 18 HE1 PHE A 1 25.781 21.036 9.200 1.00 0.00 H ATOM 19 HE2 PHE A 1 29.791 21.097 7.753 1.00 0.00 H ATOM 20 HZ PHE A 1 27.878 22.259 8.777 1.00 0.00 H ATOM 21 N GLY A 2 26.845 14.361 6.513 1.00 0.00 N ATOM 22 CA GLY A 2 27.109 13.127 5.790 1.00 0.00 C ATOM 23 C GLY A 2 25.915 12.192 5.749 1.00 0.00 C ATOM 24 O GLY A 2 25.220 12.025 6.751 1.00 0.00 O ATOM 25 H GLY A 2 26.988 14.393 7.482 1.00 0.00 H ATOM 26 HA2 GLY A 2 27.395 13.371 4.777 1.00 0.00 H ATOM 27 HA3 GLY A 2 27.931 12.615 6.269 1.00 0.00 H ATOM 28 N GLY A 3 25.692 11.567 4.590 1.00 0.00 N ATOM 29 CA GLY A 3 24.591 10.632 4.438 1.00 0.00 C ATOM 30 C GLY A 3 24.871 9.318 5.147 1.00 0.00 C ATOM 31 O GLY A 3 25.114 9.301 6.354 1.00 0.00 O ATOM 32 H GLY A 3 26.292 11.734 3.833 1.00 0.00 H ATOM 33 HA2 GLY A 3 23.694 11.072 4.850 1.00 0.00 H ATOM 34 HA3 GLY A 3 24.436 10.439 3.388 1.00 0.00 H ATOM 35 N PHE A 4 24.850 8.217 4.392 1.00 0.00 N ATOM 36 CA PHE A 4 25.115 6.891 4.955 1.00 0.00 C ATOM 37 C PHE A 4 24.144 6.580 6.096 1.00 0.00 C ATOM 38 O PHE A 4 24.558 6.150 7.175 1.00 0.00 O ATOM 39 CB PHE A 4 26.563 6.805 5.465 1.00 0.00 C ATOM 40 CG PHE A 4 27.608 6.987 4.397 1.00 0.00 C ATOM 41 CD1 PHE A 4 27.640 8.135 3.618 1.00 0.00 C ATOM 42 CD2 PHE A 4 28.564 6.009 4.178 1.00 0.00 C ATOM 43 CE1 PHE A 4 28.601 8.300 2.642 1.00 0.00 C ATOM 44 CE2 PHE A 4 29.529 6.169 3.202 1.00 0.00 C ATOM 45 CZ PHE A 4 29.547 7.316 2.433 1.00 0.00 C ATOM 46 H PHE A 4 24.658 8.297 3.434 1.00 0.00 H ATOM 47 HA PHE A 4 24.975 6.162 4.169 1.00 0.00 H ATOM 48 HB2 PHE A 4 26.718 7.572 6.207 1.00 0.00 H ATOM 49 HB3 PHE A 4 26.718 5.838 5.920 1.00 0.00 H ATOM 50 HD1 PHE A 4 26.904 8.906 3.780 1.00 0.00 H ATOM 51 HD2 PHE A 4 28.551 5.110 4.776 1.00 0.00 H ATOM 52 HE1 PHE A 4 28.614 9.199 2.041 1.00 0.00 H ATOM 53 HE2 PHE A 4 30.269 5.399 3.041 1.00 0.00 H ATOM 54 HZ PHE A 4 30.302 7.445 1.670 1.00 0.00 H ATOM 55 N THR A 5 22.851 6.813 5.854 1.00 0.00 N ATOM 56 CA THR A 5 21.823 6.570 6.865 1.00 0.00 C ATOM 57 C THR A 5 20.731 5.641 6.332 1.00 0.00 C ATOM 58 O THR A 5 19.874 6.052 5.542 1.00 0.00 O ATOM 59 CB THR A 5 21.195 7.895 7.336 1.00 0.00 C ATOM 60 OG1 THR A 5 20.654 8.603 6.211 1.00 0.00 O ATOM 61 CG2 THR A 5 22.230 8.761 8.042 1.00 0.00 C ATOM 62 H THR A 5 22.584 7.164 4.978 1.00 0.00 H ATOM 63 HA THR A 5 22.297 6.100 7.714 1.00 0.00 H ATOM 64 HB THR A 5 20.400 7.672 8.032 1.00 0.00 H ATOM 65 HG1 THR A 5 20.439 9.501 6.466 1.00 0.00 H ATOM 66 HG21 THR A 5 22.965 8.128 8.516 1.00 0.00 H ATOM 67 HG22 THR A 5 21.741 9.367 8.791 1.00 0.00 H ATOM 68 HG23 THR A 5 22.717 9.402 7.322 1.00 0.00 H ATOM 69 N GLY A 6 20.791 4.381 6.772 1.00 0.00 N ATOM 70 CA GLY A 6 19.843 3.357 6.343 1.00 0.00 C ATOM 71 C GLY A 6 18.405 3.832 6.232 1.00 0.00 C ATOM 72 O GLY A 6 17.976 4.268 5.160 1.00 0.00 O ATOM 73 H GLY A 6 21.510 4.133 7.393 1.00 0.00 H ATOM 74 HA2 GLY A 6 20.154 2.990 5.378 1.00 0.00 H ATOM 75 HA3 GLY A 6 19.881 2.540 7.048 1.00 0.00 H ATOM 76 N LYS A 7 17.648 3.725 7.322 1.00 0.00 N ATOM 77 CA LYS A 7 16.246 4.132 7.307 1.00 0.00 C ATOM 78 C LYS A 7 16.063 5.573 7.792 1.00 0.00 C ATOM 79 O LYS A 7 15.182 5.851 8.608 1.00 0.00 O ATOM 80 CB LYS A 7 15.397 3.185 8.161 1.00 0.00 C ATOM 81 CG LYS A 7 13.903 3.371 7.935 1.00 0.00 C ATOM 82 CD LYS A 7 13.090 3.023 9.170 1.00 0.00 C ATOM 83 CE LYS A 7 11.661 3.531 9.039 1.00 0.00 C ATOM 84 NZ LYS A 7 11.614 4.960 8.704 1.00 0.00 N1+ ATOM 85 H LYS A 7 18.032 3.353 8.144 1.00 0.00 H ATOM 86 HA LYS A 7 15.902 4.072 6.285 1.00 0.00 H ATOM 87 HB2 LYS A 7 15.658 2.165 7.919 1.00 0.00 H ATOM 88 HB3 LYS A 7 15.610 3.368 9.204 1.00 0.00 H ATOM 89 HG2 LYS A 7 13.715 4.400 7.674 1.00 0.00 H ATOM 90 HG3 LYS A 7 13.591 2.732 7.121 1.00 0.00 H ATOM 91 HD2 LYS A 7 13.073 1.951 9.291 1.00 0.00 H ATOM 92 HD3 LYS A 7 13.548 3.479 10.035 1.00 0.00 H ATOM 93 HE2 LYS A 7 11.163 2.969 8.262 1.00 0.00 H ATOM 94 HE3 LYS A 7 11.150 3.374 9.978 1.00 0.00 H ATOM 95 HZ1 LYS A 7 11.083 5.216 7.922 1.00 0.00 H ATOM 96 N ARG A 8 16.879 6.498 7.282 1.00 0.00 N ATOM 97 CA ARG A 8 16.755 7.900 7.675 1.00 0.00 C ATOM 98 C ARG A 8 15.895 8.653 6.662 1.00 0.00 C ATOM 99 O ARG A 8 14.883 9.256 7.012 1.00 0.00 O ATOM 100 CB ARG A 8 18.129 8.556 7.792 1.00 0.00 C ATOM 101 CG ARG A 8 18.114 9.878 8.544 1.00 0.00 C ATOM 102 CD ARG A 8 17.685 9.697 9.996 1.00 0.00 C ATOM 103 NE ARG A 8 18.660 8.938 10.783 1.00 0.00 N ATOM 104 CZ ARG A 8 18.499 8.630 12.073 1.00 0.00 C ATOM 105 NH1 ARG A 8 17.395 8.991 12.722 1.00 0.00 N1+ ATOM 106 NH2 ARG A 8 19.446 7.955 12.716 1.00 0.00 N ATOM 107 H ARG A 8 17.563 6.238 6.626 1.00 0.00 H ATOM 108 HA ARG A 8 16.265 7.934 8.638 1.00 0.00 H ATOM 109 HB2 ARG A 8 18.794 7.880 8.307 1.00 0.00 H ATOM 110 HB3 ARG A 8 18.510 8.738 6.800 1.00 0.00 H ATOM 111 HG2 ARG A 8 19.105 10.304 8.521 1.00 0.00 H ATOM 112 HG3 ARG A 8 17.421 10.548 8.055 1.00 0.00 H ATOM 113 HD2 ARG A 8 17.559 10.671 10.444 1.00 0.00 H ATOM 114 HD3 ARG A 8 16.740 9.172 10.015 1.00 0.00 H ATOM 115 HE ARG A 8 19.482 8.649 10.331 1.00 0.00 H ATOM 116 HH11 ARG A 8 16.677 9.497 12.247 1.00 0.00 H ATOM 117 HH12 ARG A 8 17.282 8.754 13.688 1.00 0.00 H ATOM 118 HH21 ARG A 8 20.277 7.679 12.236 1.00 0.00 H ATOM 119 HH22 ARG A 8 19.328 7.723 13.683 1.00 0.00 H ATOM 120 N LYS A 9 16.307 8.590 5.399 1.00 0.00 N ATOM 121 CA LYS A 9 15.584 9.243 4.306 1.00 0.00 C ATOM 122 C LYS A 9 14.161 8.691 4.192 1.00 0.00 C ATOM 123 O LYS A 9 13.196 9.446 4.037 1.00 0.00 O ATOM 124 CB LYS A 9 16.336 9.013 2.987 1.00 0.00 C ATOM 125 CG LYS A 9 15.728 9.710 1.777 1.00 0.00 C ATOM 126 CD LYS A 9 15.934 11.218 1.823 1.00 0.00 C ATOM 127 CE LYS A 9 17.413 11.590 1.780 1.00 0.00 C ATOM 128 NZ LYS A 9 18.108 11.018 0.590 1.00 0.00 N1+ ATOM 129 H LYS A 9 17.117 8.079 5.192 1.00 0.00 H ATOM 130 HA LYS A 9 15.537 10.300 4.513 1.00 0.00 H ATOM 131 HB2 LYS A 9 17.350 9.364 3.102 1.00 0.00 H ATOM 132 HB3 LYS A 9 16.358 7.951 2.785 1.00 0.00 H ATOM 133 HG2 LYS A 9 16.194 9.324 0.884 1.00 0.00 H ATOM 134 HG3 LYS A 9 14.668 9.501 1.748 1.00 0.00 H ATOM 135 HD2 LYS A 9 15.439 11.662 0.975 1.00 0.00 H ATOM 136 HD3 LYS A 9 15.502 11.603 2.734 1.00 0.00 H ATOM 137 HE2 LYS A 9 17.498 12.665 1.746 1.00 0.00 H ATOM 138 HE3 LYS A 9 17.892 11.223 2.676 1.00 0.00 H ATOM 139 HZ1 LYS A 9 17.554 11.198 -0.271 1.00 0.00 H ATOM 140 HZ2 LYS A 9 18.230 9.992 0.703 1.00 0.00 H ATOM 141 HZ3 LYS A 9 19.045 11.456 0.480 1.00 0.00 H ATOM 142 N SER A 10 14.050 7.361 4.256 1.00 0.00 N ATOM 143 CA SER A 10 12.765 6.674 4.146 1.00 0.00 C ATOM 144 C SER A 10 11.783 7.123 5.227 1.00 0.00 C ATOM 145 O SER A 10 10.643 7.461 4.921 1.00 0.00 O ATOM 146 CB SER A 10 12.973 5.157 4.224 1.00 0.00 C ATOM 147 OG SER A 10 11.740 4.461 4.137 1.00 0.00 O ATOM 148 H SER A 10 14.863 6.826 4.368 1.00 0.00 H ATOM 149 HA SER A 10 12.348 6.914 3.183 1.00 0.00 H ATOM 150 HB2 SER A 10 13.605 4.842 3.408 1.00 0.00 H ATOM 151 HB3 SER A 10 13.447 4.908 5.162 1.00 0.00 H ATOM 152 HG SER A 10 11.631 4.110 3.250 1.00 0.00 H ATOM 153 N ASP A 11 12.227 7.120 6.483 1.00 0.00 N ATOM 154 CA ASP A 11 11.371 7.524 7.600 1.00 0.00 C ATOM 155 C ASP A 11 10.871 8.960 7.442 1.00 0.00 C ATOM 156 O ASP A 11 9.706 9.238 7.727 1.00 0.00 O ATOM 157 CB ASP A 11 12.101 7.362 8.941 1.00 0.00 C ATOM 158 CG ASP A 11 12.246 5.912 9.407 1.00 0.00 C ATOM 159 OD1 ASP A 11 12.918 5.657 10.406 1.00 0.00 O ATOM 160 H ASP A 11 13.146 6.839 6.664 1.00 0.00 H ATOM 161 HA ASP A 11 10.513 6.874 7.595 1.00 0.00 H ATOM 162 HB2 ASP A 11 13.090 7.783 8.848 1.00 0.00 H ATOM 163 HB3 ASP A 11 11.559 7.908 9.700 1.00 0.00 H ATOM 164 N ARG A 12 11.740 9.869 6.988 1.00 0.00 N ATOM 165 CA ARG A 12 11.339 11.270 6.808 1.00 0.00 C ATOM 166 C ARG A 12 10.143 11.382 5.857 1.00 0.00 C ATOM 167 O ARG A 12 9.136 12.005 6.196 1.00 0.00 O ATOM 168 CB ARG A 12 12.499 12.139 6.299 1.00 0.00 C ATOM 169 CG ARG A 12 13.661 12.252 7.278 1.00 0.00 C ATOM 170 CD ARG A 12 14.477 13.520 7.045 1.00 0.00 C ATOM 171 NE ARG A 12 15.104 13.558 5.719 1.00 0.00 N ATOM 172 CZ ARG A 12 15.819 14.594 5.259 1.00 0.00 C ATOM 173 NH1 ARG A 12 16.003 15.678 6.010 1.00 0.00 N1+ ATOM 174 NH2 ARG A 12 16.348 14.548 4.042 1.00 0.00 N ATOM 175 H ARG A 12 12.658 9.593 6.771 1.00 0.00 H ATOM 176 HA ARG A 12 11.032 11.639 7.775 1.00 0.00 H ATOM 177 HB2 ARG A 12 12.873 11.716 5.379 1.00 0.00 H ATOM 178 HB3 ARG A 12 12.125 13.134 6.100 1.00 0.00 H ATOM 179 HG2 ARG A 12 13.272 12.268 8.285 1.00 0.00 H ATOM 180 HG3 ARG A 12 14.305 11.396 7.153 1.00 0.00 H ATOM 181 HD2 ARG A 12 13.824 14.374 7.144 1.00 0.00 H ATOM 182 HD3 ARG A 12 15.250 13.577 7.798 1.00 0.00 H ATOM 183 HE ARG A 12 14.991 12.774 5.141 1.00 0.00 H ATOM 184 HH11 ARG A 12 15.608 15.728 6.927 1.00 0.00 H ATOM 185 HH12 ARG A 12 16.540 16.446 5.658 1.00 0.00 H ATOM 186 HH21 ARG A 12 16.215 13.740 3.469 1.00 0.00 H ATOM 187 HH22 ARG A 12 16.879 15.324 3.697 1.00 0.00 H ATOM 188 N LYS A 13 10.255 10.763 4.679 1.00 0.00 N ATOM 189 CA LYS A 13 9.167 10.784 3.694 1.00 0.00 C ATOM 190 C LYS A 13 7.982 9.942 4.164 1.00 0.00 C ATOM 191 O LYS A 13 6.834 10.375 4.082 1.00 0.00 O ATOM 192 CB LYS A 13 9.650 10.277 2.334 1.00 0.00 C ATOM 193 CG LYS A 13 10.378 11.323 1.504 1.00 0.00 C ATOM 194 CD LYS A 13 10.828 10.749 0.169 1.00 0.00 C ATOM 195 CE LYS A 13 11.542 11.790 -0.680 1.00 0.00 C ATOM 196 NZ LYS A 13 10.620 12.857 -1.162 1.00 0.00 N1+ ATOM 197 H LYS A 13 11.078 10.274 4.473 1.00 0.00 H ATOM 198 HA LYS A 13 8.839 11.807 3.589 1.00 0.00 H ATOM 199 HB2 LYS A 13 10.326 9.450 2.495 1.00 0.00 H ATOM 200 HB3 LYS A 13 8.799 9.929 1.768 1.00 0.00 H ATOM 201 HG2 LYS A 13 9.711 12.153 1.321 1.00 0.00 H ATOM 202 HG3 LYS A 13 11.243 11.666 2.050 1.00 0.00 H ATOM 203 HD2 LYS A 13 11.502 9.926 0.351 1.00 0.00 H ATOM 204 HD3 LYS A 13 9.961 10.393 -0.368 1.00 0.00 H ATOM 205 HE2 LYS A 13 12.319 12.245 -0.086 1.00 0.00 H ATOM 206 HE3 LYS A 13 11.987 11.297 -1.532 1.00 0.00 H ATOM 207 HZ1 LYS A 13 9.679 12.459 -1.359 1.00 0.00 H ATOM 208 HZ2 LYS A 13 10.992 13.280 -2.036 1.00 0.00 H ATOM 209 HZ3 LYS A 13 10.526 13.603 -0.443 1.00 0.00 H ATOM 210 N LYS A 14 8.275 8.736 4.656 1.00 0.00 N ATOM 211 CA LYS A 14 7.246 7.814 5.147 1.00 0.00 C ATOM 212 C LYS A 14 6.262 8.508 6.093 1.00 0.00 C ATOM 213 O LYS A 14 5.101 8.109 6.176 1.00 0.00 O ATOM 214 CB LYS A 14 7.896 6.623 5.866 1.00 0.00 C ATOM 215 CG LYS A 14 8.509 5.591 4.930 1.00 0.00 C ATOM 216 CD LYS A 14 7.557 4.437 4.625 1.00 0.00 C ATOM 217 CE LYS A 14 6.290 4.892 3.908 1.00 0.00 C ATOM 218 NZ LYS A 14 5.276 5.403 4.832 1.00 0.00 N1+ ATOM 219 H LYS A 14 9.215 8.458 4.689 1.00 0.00 H ATOM 220 HA LYS A 14 6.697 7.449 4.289 1.00 0.00 H ATOM 221 HB2 LYS A 14 8.676 6.994 6.514 1.00 0.00 H ATOM 222 HB3 LYS A 14 7.148 6.130 6.472 1.00 0.00 H ATOM 223 HG2 LYS A 14 8.773 6.075 4.002 1.00 0.00 H ATOM 224 HG3 LYS A 14 9.401 5.193 5.392 1.00 0.00 H ATOM 225 HD2 LYS A 14 8.071 3.723 4.001 1.00 0.00 H ATOM 226 HD3 LYS A 14 7.280 3.963 5.556 1.00 0.00 H ATOM 227 HE2 LYS A 14 6.551 5.674 3.210 1.00 0.00 H ATOM 228 HE3 LYS A 14 5.879 4.051 3.367 1.00 0.00 H ATOM 229 HZ1 LYS A 14 5.588 5.882 5.624 1.00 0.00 H ATOM 230 N LYS A 15 6.725 9.537 6.810 1.00 0.00 N ATOM 231 CA LYS A 15 5.860 10.257 7.747 1.00 0.00 C ATOM 232 C LYS A 15 4.677 10.908 7.032 1.00 0.00 C ATOM 233 O LYS A 15 3.535 10.796 7.480 1.00 0.00 O ATOM 234 CB LYS A 15 6.646 11.328 8.518 1.00 0.00 C ATOM 235 CG LYS A 15 7.800 10.772 9.339 1.00 0.00 C ATOM 236 CD LYS A 15 7.933 11.468 10.687 1.00 0.00 C ATOM 237 CE LYS A 15 8.128 12.970 10.545 1.00 0.00 C ATOM 238 NZ LYS A 15 8.330 13.622 11.869 1.00 0.00 N1+ ATOM 239 H LYS A 15 7.661 9.814 6.709 1.00 0.00 H ATOM 240 HA LYS A 15 5.478 9.537 8.451 1.00 0.00 H ATOM 241 HB2 LYS A 15 7.047 12.041 7.812 1.00 0.00 H ATOM 242 HB3 LYS A 15 5.972 11.841 9.188 1.00 0.00 H ATOM 243 HG2 LYS A 15 7.635 9.718 9.505 1.00 0.00 H ATOM 244 HG3 LYS A 15 8.717 10.908 8.784 1.00 0.00 H ATOM 245 HD2 LYS A 15 7.036 11.287 11.261 1.00 0.00 H ATOM 246 HD3 LYS A 15 8.782 11.053 11.209 1.00 0.00 H ATOM 247 HE2 LYS A 15 8.993 13.153 9.926 1.00 0.00 H ATOM 248 HE3 LYS A 15 7.253 13.392 10.075 1.00 0.00 H ATOM 249 HZ1 LYS A 15 7.517 13.431 12.489 1.00 0.00 H ATOM 250 HZ2 LYS A 15 8.426 14.650 11.754 1.00 0.00 H ATOM 251 HZ3 LYS A 15 9.190 13.253 12.323 1.00 0.00 H ATOM 252 N ASN A 16 4.963 11.596 5.929 1.00 0.00 N ATOM 253 CA ASN A 16 3.928 12.285 5.156 1.00 0.00 C ATOM 254 C ASN A 16 3.149 11.325 4.257 1.00 0.00 C ATOM 255 O ASN A 16 1.918 11.357 4.224 1.00 0.00 O ATOM 256 CB ASN A 16 4.558 13.399 4.316 1.00 0.00 C ATOM 257 CG ASN A 16 3.531 14.174 3.513 1.00 0.00 C ATOM 258 OD1 ASN A 16 2.570 14.707 4.066 1.00 0.00 O ATOM 259 ND2 ASN A 16 3.733 14.246 2.201 1.00 0.00 N ATOM 260 H ASN A 16 5.896 11.651 5.632 1.00 0.00 H ATOM 261 HA ASN A 16 3.240 12.728 5.855 1.00 0.00 H ATOM 262 HB2 ASN A 16 5.070 14.089 4.970 1.00 0.00 H ATOM 263 HB3 ASN A 16 5.272 12.963 3.632 1.00 0.00 H ATOM 264 HD21 ASN A 16 4.522 13.802 1.830 1.00 0.00 H ATOM 265 HD22 ASN A 16 3.084 14.739 1.659 1.00 0.00 H ATOM 266 N GLN A 17 3.875 10.488 3.521 1.00 0.00 N ATOM 267 CA GLN A 17 3.263 9.527 2.604 1.00 0.00 C ATOM 268 C GLN A 17 2.357 8.538 3.337 1.00 0.00 C ATOM 269 O GLN A 17 1.198 8.358 2.967 1.00 0.00 O ATOM 270 CB GLN A 17 4.351 8.775 1.825 1.00 0.00 C ATOM 271 CG GLN A 17 4.568 9.300 0.408 1.00 0.00 C ATOM 272 CD GLN A 17 5.186 10.694 0.349 1.00 0.00 C ATOM 273 OE1 GLN A 17 5.009 11.413 -0.631 1.00 0.00 O ATOM 274 NE2 GLN A 17 5.954 11.070 1.371 1.00 0.00 N ATOM 275 H GLN A 17 4.850 10.523 3.589 1.00 0.00 H ATOM 276 HA GLN A 17 2.661 10.083 1.902 1.00 0.00 H ATOM 277 HB2 GLN A 17 5.281 8.864 2.363 1.00 0.00 H ATOM 278 HB3 GLN A 17 4.085 7.731 1.766 1.00 0.00 H ATOM 279 HG2 GLN A 17 5.223 8.620 -0.114 1.00 0.00 H ATOM 280 HG3 GLN A 17 3.614 9.326 -0.098 1.00 0.00 H ATOM 281 HE21 GLN A 17 6.091 10.444 2.105 1.00 0.00 H ATOM 282 HE22 GLN A 17 6.355 11.962 1.343 1.00 0.00 H ATOM 283 N ASP A 18 2.893 7.901 4.374 1.00 0.00 N ATOM 284 CA ASP A 18 2.134 6.928 5.158 1.00 0.00 C ATOM 285 C ASP A 18 1.352 7.612 6.284 1.00 0.00 C ATOM 286 O ASP A 18 0.149 7.399 6.431 1.00 0.00 O ATOM 287 CB ASP A 18 3.077 5.867 5.727 1.00 0.00 C ATOM 288 CG ASP A 18 3.964 5.256 4.655 1.00 0.00 C ATOM 289 OD1 ASP A 18 3.473 4.673 3.686 1.00 0.00 O ATOM 290 H ASP A 18 3.824 8.087 4.618 1.00 0.00 H ATOM 291 HA ASP A 18 1.431 6.448 4.492 1.00 0.00 H ATOM 292 HB2 ASP A 18 3.710 6.321 6.475 1.00 0.00 H ATOM 293 HB3 ASP A 18 2.494 5.079 6.182 1.00 0.00 H HETATM 294 N NH2 A 19 2.030 8.441 7.076 1.00 0.00 N HETATM 295 HN1 NH2 A 19 2.990 8.568 6.908 1.00 0.00 H HETATM 296 HN2 NH2 A 19 1.543 8.895 7.794 1.00 0.00 H TER 297 NH2 A 19 ENDMDL CONECT 84 158 CONECT 158 84 CONECT 218 288 CONECT 288 218 CONECT 294 295 296 CONECT 295 294 CONECT 296 294 MASTER 119 0 1 1 0 0 0 6 146 1 7 2 END