HEADER NEUROPEPTIDE INHIBITOR 13-AUG-09 SMS20093 TITLE SOLUTION STRUCTURE OF REV_HIV PEPTIDES COMPND MOL_ID: 1; COMPND 2 MOLECULE: REV-HIV; 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: SYNTHESIZED BY FMOC CHEMISTRY. KEYWDS HELIX, NEUROPEPTIDE INHIBITOR EXPDTA SOLUTION NMR NUMMDL 17 AUTHOR D.P.FAIRLIE,H.N.HOANG 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 20-OCT-10. REMARK 100 THE BMRB ID CODE IS SMS20093. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 4.3 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 2MM REV-HIV; 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 900 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 : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 17 REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE WITH REMARK 210 EXPERIMENTAL NOESY SPECTRUM 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 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20093 RELATED DB: BMRB REMARK 900 RELATED ID: 20090 RELATED DB: BMRB REMARK 900 KAAAD, SINGLE ALPHA HELIX TURN REMARK 900 RELATED ID: 20091 RELATED DB: BMRB REMARK 900 RSV_1NAL REMARK 900 RELATED ID: 20092 RELATED DB: BMRB REMARK 900 CSP DBREF A 2 17 BMRB SMS20093 SMS20093 1 16 SEQADV ACE A 1 BMRB SMS20093 ACETYLATION SEQADV NH2 A 18 BMRB SMS20093 AMIDATION SEQRES 1 A 18 ACE THR ARG GLN ALA LYS ARG ASN ARG ASP ARG ARG LYS SEQRES 2 A 18 ARG GLU ARG ASP NH2 HET ACE A 1 6 HET NH2 A 18 3 HETNAM ACE ACETYL GROUP HETNAM NH2 AMINO GROUP FORMUL 1 ACE C2 H4 O FORMUL 1 NH2 H2 N HELIX 1 1 THR A 2 ASP A 17 1 16 LINK NZ LYS A 6 CG ASP A 10 1555 1555 1.33 LINK NZ LYS A 13 CG ASP A 17 1555 1555 1.33 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 HETATM 1 C ACE A 1 7.376 10.550 -3.310 1.00 0.00 C HETATM 2 O ACE A 1 6.948 10.613 -2.157 1.00 0.00 O HETATM 3 CH3 ACE A 1 8.108 11.610 -3.858 1.00 0.00 C HETATM 4 H1 ACE A 1 9.122 11.577 -3.485 1.00 0.00 H HETATM 5 H2 ACE A 1 7.650 12.546 -3.580 1.00 0.00 H HETATM 6 H3 ACE A 1 8.115 11.524 -4.934 1.00 0.00 H ATOM 7 N THR A 2 7.177 9.492 -4.096 1.00 0.00 N ATOM 8 CA THR A 2 6.430 8.320 -3.645 1.00 0.00 C ATOM 9 C THR A 2 7.122 7.631 -2.468 1.00 0.00 C ATOM 10 O THR A 2 6.460 7.169 -1.540 1.00 0.00 O ATOM 11 CB THR A 2 6.230 7.305 -4.788 1.00 0.00 C ATOM 12 OG1 THR A 2 5.417 6.213 -4.341 1.00 0.00 O ATOM 13 CG2 THR A 2 7.565 6.773 -5.298 1.00 0.00 C ATOM 14 H THR A 2 7.543 9.500 -5.006 1.00 0.00 H ATOM 15 HA THR A 2 5.456 8.656 -3.322 1.00 0.00 H ATOM 16 HB THR A 2 5.728 7.808 -5.602 1.00 0.00 H ATOM 17 HG1 THR A 2 4.661 6.117 -4.925 1.00 0.00 H ATOM 18 HG21 THR A 2 8.234 7.600 -5.489 1.00 0.00 H ATOM 19 HG22 THR A 2 7.407 6.220 -6.211 1.00 0.00 H ATOM 20 HG23 THR A 2 8.002 6.123 -4.554 1.00 0.00 H ATOM 21 N ARG A 3 8.453 7.567 -2.514 1.00 0.00 N ATOM 22 CA ARG A 3 9.232 6.935 -1.450 1.00 0.00 C ATOM 23 C ARG A 3 9.055 7.672 -0.122 1.00 0.00 C ATOM 24 O ARG A 3 8.871 7.048 0.920 1.00 0.00 O ATOM 25 CB ARG A 3 10.719 6.890 -1.832 1.00 0.00 C ATOM 26 CG ARG A 3 11.631 6.402 -0.712 1.00 0.00 C ATOM 27 CD ARG A 3 11.390 4.936 -0.378 1.00 0.00 C ATOM 28 NE ARG A 3 12.054 4.033 -1.320 1.00 0.00 N ATOM 29 CZ ARG A 3 13.383 3.891 -1.415 1.00 0.00 C ATOM 30 NH1 ARG A 3 14.199 4.590 -0.627 1.00 0.00 N ATOM 31 NH2 ARG A 3 13.899 3.041 -2.297 1.00 0.00 N ATOM 32 H ARG A 3 8.922 7.955 -3.281 1.00 0.00 H ATOM 33 HA ARG A 3 8.871 5.924 -1.336 1.00 0.00 H ATOM 34 HB2 ARG A 3 10.838 6.227 -2.676 1.00 0.00 H ATOM 35 HB3 ARG A 3 11.035 7.882 -2.120 1.00 0.00 H ATOM 36 HG2 ARG A 3 12.658 6.524 -1.022 1.00 0.00 H ATOM 37 HG3 ARG A 3 11.450 6.997 0.171 1.00 0.00 H ATOM 38 HD2 ARG A 3 11.765 4.742 0.615 1.00 0.00 H ATOM 39 HD3 ARG A 3 10.327 4.747 -0.403 1.00 0.00 H ATOM 40 HE ARG A 3 11.482 3.501 -1.912 1.00 0.00 H ATOM 41 HH11 ARG A 3 13.824 5.229 0.045 1.00 0.00 H ATOM 42 HH12 ARG A 3 15.189 4.476 -0.706 1.00 0.00 H ATOM 43 HH21 ARG A 3 13.296 2.506 -2.890 1.00 0.00 H ATOM 44 HH22 ARG A 3 14.892 2.934 -2.368 1.00 0.00 H ATOM 45 N GLN A 4 9.120 9.002 -0.167 1.00 0.00 N ATOM 46 CA GLN A 4 8.978 9.824 1.037 1.00 0.00 C ATOM 47 C GLN A 4 7.565 9.746 1.619 1.00 0.00 C ATOM 48 O GLN A 4 7.393 9.577 2.827 1.00 0.00 O ATOM 49 CB GLN A 4 9.334 11.284 0.730 1.00 0.00 C ATOM 50 CG GLN A 4 9.252 12.200 1.943 1.00 0.00 C ATOM 51 CD GLN A 4 9.607 13.640 1.618 1.00 0.00 C ATOM 52 OE1 GLN A 4 10.719 13.935 1.176 1.00 0.00 O ATOM 53 NE2 GLN A 4 8.659 14.545 1.832 1.00 0.00 N ATOM 54 H GLN A 4 9.275 9.441 -1.029 1.00 0.00 H ATOM 55 HA GLN A 4 9.671 9.448 1.771 1.00 0.00 H ATOM 56 HB2 GLN A 4 10.342 11.323 0.343 1.00 0.00 H ATOM 57 HB3 GLN A 4 8.654 11.659 -0.023 1.00 0.00 H ATOM 58 HG2 GLN A 4 8.243 12.171 2.330 1.00 0.00 H ATOM 59 HG3 GLN A 4 9.937 11.839 2.696 1.00 0.00 H ATOM 60 HE21 GLN A 4 7.795 14.239 2.182 1.00 0.00 H ATOM 61 HE22 GLN A 4 8.863 15.481 1.630 1.00 0.00 H ATOM 62 N ALA A 5 6.562 9.894 0.757 1.00 0.00 N ATOM 63 CA ALA A 5 5.162 9.865 1.182 1.00 0.00 C ATOM 64 C ALA A 5 4.705 8.475 1.627 1.00 0.00 C ATOM 65 O ALA A 5 4.034 8.338 2.651 1.00 0.00 O ATOM 66 CB ALA A 5 4.268 10.378 0.063 1.00 0.00 C ATOM 67 H ALA A 5 6.769 10.042 -0.190 1.00 0.00 H ATOM 68 HA ALA A 5 5.061 10.540 2.017 1.00 0.00 H ATOM 69 HB1 ALA A 5 4.345 9.717 -0.789 1.00 0.00 H ATOM 70 HB2 ALA A 5 4.583 11.370 -0.222 1.00 0.00 H ATOM 71 HB3 ALA A 5 3.245 10.409 0.406 1.00 0.00 H ATOM 72 N LYS A 6 5.050 7.452 0.847 1.00 0.00 N ATOM 73 CA LYS A 6 4.650 6.081 1.156 1.00 0.00 C ATOM 74 C LYS A 6 5.314 5.560 2.428 1.00 0.00 C ATOM 75 O LYS A 6 4.638 5.027 3.309 1.00 0.00 O ATOM 76 CB LYS A 6 4.967 5.150 -0.022 1.00 0.00 C ATOM 77 CG LYS A 6 4.652 3.692 0.258 1.00 0.00 C ATOM 78 CD LYS A 6 3.175 3.488 0.568 1.00 0.00 C ATOM 79 CE LYS A 6 2.949 2.230 1.385 1.00 0.00 C ATOM 80 NZ LYS A 6 3.647 2.305 2.665 1.00 0.00 N ATOM 81 H LYS A 6 5.574 7.625 0.039 1.00 0.00 H ATOM 82 HA LYS A 6 3.582 6.086 1.315 1.00 0.00 H ATOM 83 HB2 LYS A 6 4.390 5.462 -0.880 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.018 5.231 -0.257 1.00 0.00 H ATOM 85 HG2 LYS A 6 4.913 3.105 -0.610 1.00 0.00 H ATOM 86 HG3 LYS A 6 5.239 3.366 1.103 1.00 0.00 H ATOM 87 HD2 LYS A 6 2.813 4.336 1.130 1.00 0.00 H ATOM 88 HD3 LYS A 6 2.629 3.408 -0.360 1.00 0.00 H ATOM 89 HE2 LYS A 6 1.890 2.112 1.563 1.00 0.00 H ATOM 90 HE3 LYS A 6 3.320 1.381 0.829 1.00 0.00 H ATOM 91 HZ1 LYS A 6 4.594 2.554 2.649 1.00 0.00 H ATOM 92 N ARG A 7 6.631 5.711 2.519 1.00 0.00 N ATOM 93 CA ARG A 7 7.370 5.243 3.694 1.00 0.00 C ATOM 94 C ARG A 7 6.871 5.921 4.972 1.00 0.00 C ATOM 95 O ARG A 7 6.769 5.280 6.020 1.00 0.00 O ATOM 96 CB ARG A 7 8.875 5.483 3.530 1.00 0.00 C ATOM 97 CG ARG A 7 9.522 4.682 2.403 1.00 0.00 C ATOM 98 CD ARG A 7 9.480 3.181 2.661 1.00 0.00 C ATOM 99 NE ARG A 7 8.163 2.599 2.394 1.00 0.00 N ATOM 100 CZ ARG A 7 7.874 1.301 2.546 1.00 0.00 C ATOM 101 NH1 ARG A 7 8.800 0.448 2.975 1.00 0.00 N ATOM 102 NH2 ARG A 7 6.657 0.852 2.255 1.00 0.00 N ATOM 103 H ARG A 7 7.116 6.143 1.783 1.00 0.00 H ATOM 104 HA ARG A 7 7.196 4.184 3.782 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.039 6.533 3.335 1.00 0.00 H ATOM 106 HB3 ARG A 7 9.369 5.221 4.454 1.00 0.00 H ATOM 107 HG2 ARG A 7 8.997 4.888 1.483 1.00 0.00 H ATOM 108 HG3 ARG A 7 10.553 4.991 2.304 1.00 0.00 H ATOM 109 HD2 ARG A 7 10.205 2.702 2.022 1.00 0.00 H ATOM 110 HD3 ARG A 7 9.740 3.002 3.694 1.00 0.00 H ATOM 111 HE ARG A 7 7.459 3.202 2.075 1.00 0.00 H ATOM 112 HH11 ARG A 7 9.722 0.773 3.188 1.00 0.00 H ATOM 113 HH12 ARG A 7 8.576 -0.520 3.085 1.00 0.00 H ATOM 114 HH21 ARG A 7 5.961 1.483 1.921 1.00 0.00 H ATOM 115 HH22 ARG A 7 6.437 -0.117 2.375 1.00 0.00 H ATOM 116 N ASN A 8 6.564 7.215 4.877 1.00 0.00 N ATOM 117 CA ASN A 8 6.079 7.980 6.026 1.00 0.00 C ATOM 118 C ASN A 8 4.748 7.434 6.552 1.00 0.00 C ATOM 119 O ASN A 8 4.598 7.211 7.757 1.00 0.00 O ATOM 120 CB ASN A 8 5.936 9.459 5.646 1.00 0.00 C ATOM 121 CG ASN A 8 5.428 10.315 6.793 1.00 0.00 C ATOM 122 OD1 ASN A 8 4.285 10.176 7.231 1.00 0.00 O ATOM 123 ND2 ASN A 8 6.279 11.206 7.291 1.00 0.00 N ATOM 124 H ASN A 8 6.669 7.668 4.014 1.00 0.00 H ATOM 125 HA ASN A 8 6.815 7.895 6.808 1.00 0.00 H ATOM 126 HB2 ASN A 8 6.899 9.838 5.340 1.00 0.00 H ATOM 127 HB3 ASN A 8 5.242 9.547 4.822 1.00 0.00 H ATOM 128 HD21 ASN A 8 7.176 11.262 6.898 1.00 0.00 H ATOM 129 HD22 ASN A 8 5.975 11.769 8.032 1.00 0.00 H ATOM 130 N ARG A 9 3.788 7.223 5.649 1.00 0.00 N ATOM 131 CA ARG A 9 2.471 6.712 6.036 1.00 0.00 C ATOM 132 C ARG A 9 2.552 5.274 6.544 1.00 0.00 C ATOM 133 O ARG A 9 2.017 4.955 7.607 1.00 0.00 O ATOM 134 CB ARG A 9 1.495 6.802 4.860 1.00 0.00 C ATOM 135 CG ARG A 9 1.277 8.224 4.368 1.00 0.00 C ATOM 136 CD ARG A 9 0.235 8.283 3.260 1.00 0.00 C ATOM 137 NE ARG A 9 0.112 9.624 2.679 1.00 0.00 N ATOM 138 CZ ARG A 9 -0.346 10.698 3.334 1.00 0.00 C ATOM 139 NH1 ARG A 9 -0.785 10.601 4.588 1.00 0.00 N ATOM 140 NH2 ARG A 9 -0.382 11.877 2.722 1.00 0.00 N ATOM 141 H ARG A 9 3.967 7.418 4.702 1.00 0.00 H ATOM 142 HA ARG A 9 2.105 7.334 6.838 1.00 0.00 H ATOM 143 HB2 ARG A 9 1.881 6.214 4.040 1.00 0.00 H ATOM 144 HB3 ARG A 9 0.541 6.397 5.164 1.00 0.00 H ATOM 145 HG2 ARG A 9 0.942 8.829 5.196 1.00 0.00 H ATOM 146 HG3 ARG A 9 2.212 8.611 3.993 1.00 0.00 H ATOM 147 HD2 ARG A 9 0.518 7.592 2.481 1.00 0.00 H ATOM 148 HD3 ARG A 9 -0.721 7.991 3.668 1.00 0.00 H ATOM 149 HE ARG A 9 0.398 9.734 1.747 1.00 0.00 H ATOM 150 HH11 ARG A 9 -0.780 9.719 5.058 1.00 0.00 H ATOM 151 HH12 ARG A 9 -1.122 11.416 5.062 1.00 0.00 H ATOM 152 HH21 ARG A 9 -0.069 11.960 1.775 1.00 0.00 H ATOM 153 HH22 ARG A 9 -0.726 12.682 3.206 1.00 0.00 H ATOM 154 N ASP A 10 3.228 4.411 5.787 1.00 0.00 N ATOM 155 CA ASP A 10 3.378 3.008 6.175 1.00 0.00 C ATOM 156 C ASP A 10 4.244 2.862 7.422 1.00 0.00 C ATOM 157 O ASP A 10 3.969 2.026 8.274 1.00 0.00 O ATOM 158 CB ASP A 10 3.992 2.184 5.045 1.00 0.00 C ATOM 159 CG ASP A 10 3.081 2.055 3.839 1.00 0.00 C ATOM 160 OD1 ASP A 10 1.900 1.722 3.964 1.00 0.00 O ATOM 161 H ASP A 10 3.639 4.725 4.953 1.00 0.00 H ATOM 162 HA ASP A 10 2.394 2.621 6.392 1.00 0.00 H ATOM 163 HB2 ASP A 10 4.910 2.658 4.726 1.00 0.00 H ATOM 164 HB3 ASP A 10 4.218 1.197 5.415 1.00 0.00 H ATOM 165 N ARG A 11 5.297 3.671 7.513 1.00 0.00 N ATOM 166 CA ARG A 11 6.214 3.620 8.651 1.00 0.00 C ATOM 167 C ARG A 11 5.492 3.861 9.974 1.00 0.00 C ATOM 168 O ARG A 11 5.702 3.123 10.938 1.00 0.00 O ATOM 169 CB ARG A 11 7.356 4.628 8.451 1.00 0.00 C ATOM 170 CG ARG A 11 8.125 4.981 9.717 1.00 0.00 C ATOM 171 CD ARG A 11 7.557 6.228 10.386 1.00 0.00 C ATOM 172 NE ARG A 11 8.286 6.588 11.603 1.00 0.00 N ATOM 173 CZ ARG A 11 8.142 5.969 12.778 1.00 0.00 C ATOM 174 NH1 ARG A 11 7.241 5.002 12.932 1.00 0.00 N ATOM 175 NH2 ARG A 11 8.888 6.338 13.813 1.00 0.00 N ATOM 176 H ARG A 11 5.468 4.311 6.794 1.00 0.00 H ATOM 177 HA ARG A 11 6.630 2.624 8.677 1.00 0.00 H ATOM 178 HB2 ARG A 11 8.057 4.218 7.739 1.00 0.00 H ATOM 179 HB3 ARG A 11 6.943 5.540 8.044 1.00 0.00 H ATOM 180 HG2 ARG A 11 8.065 4.152 10.407 1.00 0.00 H ATOM 181 HG3 ARG A 11 9.158 5.161 9.458 1.00 0.00 H ATOM 182 HD2 ARG A 11 7.616 7.051 9.691 1.00 0.00 H ATOM 183 HD3 ARG A 11 6.524 6.048 10.639 1.00 0.00 H ATOM 184 HE ARG A 11 8.934 7.320 11.537 1.00 0.00 H ATOM 185 HH11 ARG A 11 6.663 4.727 12.166 1.00 0.00 H ATOM 186 HH12 ARG A 11 7.142 4.549 13.818 1.00 0.00 H ATOM 187 HH21 ARG A 11 9.555 7.076 13.710 1.00 0.00 H ATOM 188 HH22 ARG A 11 8.786 5.876 14.694 1.00 0.00 H ATOM 189 N ARG A 12 4.637 4.878 10.018 1.00 0.00 N ATOM 190 CA ARG A 12 3.886 5.179 11.238 1.00 0.00 C ATOM 191 C ARG A 12 2.855 4.090 11.523 1.00 0.00 C ATOM 192 O ARG A 12 2.667 3.676 12.670 1.00 0.00 O ATOM 193 CB ARG A 12 3.184 6.534 11.125 1.00 0.00 C ATOM 194 CG ARG A 12 4.135 7.718 11.116 1.00 0.00 C ATOM 195 CD ARG A 12 3.391 9.049 11.068 1.00 0.00 C ATOM 196 NE ARG A 12 2.524 9.252 12.232 1.00 0.00 N ATOM 197 CZ ARG A 12 1.281 8.766 12.351 1.00 0.00 C ATOM 198 NH1 ARG A 12 0.702 8.111 11.346 1.00 0.00 N ATOM 199 NH2 ARG A 12 0.605 8.959 13.478 1.00 0.00 N ATOM 200 H ARG A 12 4.500 5.427 9.214 1.00 0.00 H ATOM 201 HA ARG A 12 4.587 5.215 12.058 1.00 0.00 H ATOM 202 HB2 ARG A 12 2.611 6.552 10.210 1.00 0.00 H ATOM 203 HB3 ARG A 12 2.510 6.645 11.961 1.00 0.00 H ATOM 204 HG2 ARG A 12 4.736 7.687 12.013 1.00 0.00 H ATOM 205 HG3 ARG A 12 4.777 7.644 10.251 1.00 0.00 H ATOM 206 HD2 ARG A 12 4.117 9.847 11.034 1.00 0.00 H ATOM 207 HD3 ARG A 12 2.788 9.077 10.172 1.00 0.00 H ATOM 208 HE ARG A 12 2.895 9.764 12.981 1.00 0.00 H ATOM 209 HH11 ARG A 12 1.191 7.976 10.484 1.00 0.00 H ATOM 210 HH12 ARG A 12 -0.226 7.754 11.453 1.00 0.00 H ATOM 211 HH21 ARG A 12 1.023 9.466 14.231 1.00 0.00 H ATOM 212 HH22 ARG A 12 -0.323 8.597 13.573 1.00 0.00 H ATOM 213 N LYS A 13 2.186 3.645 10.464 1.00 0.00 N ATOM 214 CA LYS A 13 1.157 2.620 10.563 1.00 0.00 C ATOM 215 C LYS A 13 1.736 1.243 10.919 1.00 0.00 C ATOM 216 O LYS A 13 1.194 0.544 11.774 1.00 0.00 O ATOM 217 CB LYS A 13 0.377 2.558 9.237 1.00 0.00 C ATOM 218 CG LYS A 13 -0.756 1.544 9.220 1.00 0.00 C ATOM 219 CD LYS A 13 -0.244 0.127 8.999 1.00 0.00 C ATOM 220 CE LYS A 13 -1.123 -0.895 9.700 1.00 0.00 C ATOM 221 NZ LYS A 13 -1.208 -0.638 11.137 1.00 0.00 N ATOM 222 H LYS A 13 2.386 4.028 9.583 1.00 0.00 H ATOM 223 HA LYS A 13 0.480 2.916 11.346 1.00 0.00 H ATOM 224 HB2 LYS A 13 -0.043 3.532 9.038 1.00 0.00 H ATOM 225 HB3 LYS A 13 1.065 2.309 8.442 1.00 0.00 H ATOM 226 HG2 LYS A 13 -1.275 1.587 10.163 1.00 0.00 H ATOM 227 HG3 LYS A 13 -1.438 1.798 8.421 1.00 0.00 H ATOM 228 HD2 LYS A 13 -0.246 -0.083 7.941 1.00 0.00 H ATOM 229 HD3 LYS A 13 0.760 0.047 9.380 1.00 0.00 H ATOM 230 HE2 LYS A 13 -2.114 -0.851 9.277 1.00 0.00 H ATOM 231 HE3 LYS A 13 -0.706 -1.878 9.542 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -1.392 0.281 11.420 1.00 0.00 H ATOM 233 N ARG A 14 2.813 0.850 10.244 1.00 0.00 N ATOM 234 CA ARG A 14 3.438 -0.458 10.465 1.00 0.00 C ATOM 235 C ARG A 14 4.176 -0.543 11.804 1.00 0.00 C ATOM 236 O ARG A 14 4.182 -1.595 12.443 1.00 0.00 O ATOM 237 CB ARG A 14 4.407 -0.762 9.321 1.00 0.00 C ATOM 238 CG ARG A 14 4.859 -2.215 9.240 1.00 0.00 C ATOM 239 CD ARG A 14 3.758 -3.128 8.704 1.00 0.00 C ATOM 240 NE ARG A 14 2.916 -3.696 9.761 1.00 0.00 N ATOM 241 CZ ARG A 14 3.337 -4.600 10.656 1.00 0.00 C ATOM 242 NH1 ARG A 14 4.602 -5.014 10.657 1.00 0.00 N ATOM 243 NH2 ARG A 14 2.488 -5.095 11.551 1.00 0.00 N ATOM 244 H ARG A 14 3.192 1.448 9.560 1.00 0.00 H ATOM 245 HA ARG A 14 2.651 -1.197 10.461 1.00 0.00 H ATOM 246 HB2 ARG A 14 3.928 -0.507 8.388 1.00 0.00 H ATOM 247 HB3 ARG A 14 5.284 -0.143 9.441 1.00 0.00 H ATOM 248 HG2 ARG A 14 5.713 -2.277 8.582 1.00 0.00 H ATOM 249 HG3 ARG A 14 5.141 -2.548 10.228 1.00 0.00 H ATOM 250 HD2 ARG A 14 3.133 -2.558 8.033 1.00 0.00 H ATOM 251 HD3 ARG A 14 4.222 -3.936 8.156 1.00 0.00 H ATOM 252 HE ARG A 14 1.980 -3.404 9.796 1.00 0.00 H ATOM 253 HH11 ARG A 14 5.250 -4.653 9.987 1.00 0.00 H ATOM 254 HH12 ARG A 14 4.905 -5.690 11.329 1.00 0.00 H ATOM 255 HH21 ARG A 14 1.534 -4.794 11.558 1.00 0.00 H ATOM 256 HH22 ARG A 14 2.803 -5.769 12.221 1.00 0.00 H ATOM 257 N GLU A 15 4.811 0.553 12.220 1.00 0.00 N ATOM 258 CA GLU A 15 5.554 0.566 13.480 1.00 0.00 C ATOM 259 C GLU A 15 4.612 0.509 14.684 1.00 0.00 C ATOM 260 O GLU A 15 4.922 -0.140 15.684 1.00 0.00 O ATOM 261 CB GLU A 15 6.473 1.791 13.561 1.00 0.00 C ATOM 262 CG GLU A 15 7.289 1.861 14.849 1.00 0.00 C ATOM 263 CD GLU A 15 8.656 2.515 14.675 1.00 0.00 C ATOM 264 OE1 GLU A 15 9.014 2.875 13.531 1.00 0.00 O ATOM 265 OE2 GLU A 15 9.375 2.654 15.688 1.00 0.00 O ATOM 266 H GLU A 15 4.788 1.363 11.669 1.00 0.00 H ATOM 267 HA GLU A 15 6.168 -0.322 13.496 1.00 0.00 H ATOM 268 HB2 GLU A 15 7.157 1.764 12.727 1.00 0.00 H ATOM 269 HB3 GLU A 15 5.869 2.685 13.493 1.00 0.00 H ATOM 270 HG2 GLU A 15 6.731 2.432 15.576 1.00 0.00 H ATOM 271 HG3 GLU A 15 7.432 0.858 15.222 1.00 0.00 H ATOM 272 N ARG A 16 3.466 1.188 14.587 1.00 0.00 N ATOM 273 CA ARG A 16 2.496 1.200 15.681 1.00 0.00 C ATOM 274 C ARG A 16 1.583 -0.027 15.655 1.00 0.00 C ATOM 275 O ARG A 16 1.520 -0.772 16.635 1.00 0.00 O ATOM 276 CB ARG A 16 1.679 2.495 15.664 1.00 0.00 C ATOM 277 CG ARG A 16 2.357 3.635 16.413 1.00 0.00 C ATOM 278 CD ARG A 16 3.667 4.049 15.752 1.00 0.00 C ATOM 279 NE ARG A 16 4.690 4.417 16.733 1.00 0.00 N ATOM 280 CZ ARG A 16 4.625 5.482 17.537 1.00 0.00 C ATOM 281 NH1 ARG A 16 3.608 6.337 17.455 1.00 0.00 N ATOM 282 NH2 ARG A 16 5.591 5.693 18.427 1.00 0.00 N ATOM 283 H ARG A 16 3.270 1.690 13.766 1.00 0.00 H ATOM 284 HA ARG A 16 3.058 1.170 16.600 1.00 0.00 H ATOM 285 HB2 ARG A 16 1.529 2.802 14.639 1.00 0.00 H ATOM 286 HB3 ARG A 16 0.718 2.311 16.122 1.00 0.00 H ATOM 287 HG2 ARG A 16 1.693 4.486 16.434 1.00 0.00 H ATOM 288 HG3 ARG A 16 2.562 3.313 17.423 1.00 0.00 H ATOM 289 HD2 ARG A 16 4.033 3.226 15.158 1.00 0.00 H ATOM 290 HD3 ARG A 16 3.476 4.897 15.110 1.00 0.00 H ATOM 291 HE ARG A 16 5.466 3.823 16.810 1.00 0.00 H ATOM 292 HH11 ARG A 16 2.877 6.188 16.789 1.00 0.00 H ATOM 293 HH12 ARG A 16 3.576 7.134 18.059 1.00 0.00 H ATOM 294 HH21 ARG A 16 6.359 5.054 18.493 1.00 0.00 H ATOM 295 HH22 ARG A 16 5.553 6.491 19.030 1.00 0.00 H ATOM 296 N ASP A 17 0.883 -0.246 14.541 1.00 0.00 N ATOM 297 CA ASP A 17 -0.010 -1.402 14.426 1.00 0.00 C ATOM 298 C ASP A 17 0.758 -2.630 13.937 1.00 0.00 C ATOM 299 O ASP A 17 0.452 -3.758 14.319 1.00 0.00 O ATOM 300 CB ASP A 17 -1.210 -1.086 13.511 1.00 0.00 C ATOM 301 CG ASP A 17 -1.066 -1.571 12.074 1.00 0.00 C ATOM 302 OD1 ASP A 17 -0.858 -2.759 11.815 1.00 0.00 O ATOM 303 H ASP A 17 0.974 0.372 13.787 1.00 0.00 H ATOM 304 HA ASP A 17 -0.384 -1.616 15.418 1.00 0.00 H ATOM 305 HB2 ASP A 17 -2.097 -1.538 13.927 1.00 0.00 H ATOM 306 HB3 ASP A 17 -1.343 -0.015 13.487 1.00 0.00 H HETATM 307 N NH2 A 18 1.771 -2.405 13.106 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.958 -1.480 12.840 1.00 0.00 H HETATM 309 HN2 NH2 A 18 2.295 -3.171 12.799 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 2 HETATM 1 C ACE A 1 6.003 11.485 -2.769 1.00 0.00 C HETATM 2 O ACE A 1 5.841 11.203 -1.580 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.617 12.687 -3.140 1.00 0.00 C HETATM 4 H1 ACE A 1 7.573 12.473 -3.598 1.00 0.00 H HETATM 5 H2 ACE A 1 6.762 13.303 -2.268 1.00 0.00 H HETATM 6 H3 ACE A 1 5.989 13.210 -3.844 1.00 0.00 H ATOM 7 N THR A 2 5.611 10.683 -3.759 1.00 0.00 N ATOM 8 CA THR A 2 4.957 9.401 -3.509 1.00 0.00 C ATOM 9 C THR A 2 5.890 8.427 -2.788 1.00 0.00 C ATOM 10 O THR A 2 5.488 7.776 -1.823 1.00 0.00 O ATOM 11 CB THR A 2 4.470 8.763 -4.826 1.00 0.00 C ATOM 12 OG1 THR A 2 3.502 9.613 -5.451 1.00 0.00 O ATOM 13 CG2 THR A 2 3.858 7.389 -4.581 1.00 0.00 C ATOM 14 H THR A 2 5.766 10.963 -4.686 1.00 0.00 H ATOM 15 HA THR A 2 4.097 9.583 -2.884 1.00 0.00 H ATOM 16 HB THR A 2 5.318 8.653 -5.485 1.00 0.00 H ATOM 17 HG1 THR A 2 3.652 9.630 -6.400 1.00 0.00 H ATOM 18 HG21 THR A 2 3.267 7.101 -5.438 1.00 0.00 H ATOM 19 HG22 THR A 2 3.228 7.427 -3.705 1.00 0.00 H ATOM 20 HG23 THR A 2 4.646 6.667 -4.428 1.00 0.00 H ATOM 21 N ARG A 3 7.135 8.334 -3.261 1.00 0.00 N ATOM 22 CA ARG A 3 8.126 7.440 -2.659 1.00 0.00 C ATOM 23 C ARG A 3 8.413 7.829 -1.209 1.00 0.00 C ATOM 24 O ARG A 3 8.460 6.968 -0.328 1.00 0.00 O ATOM 25 CB ARG A 3 9.425 7.449 -3.476 1.00 0.00 C ATOM 26 CG ARG A 3 10.561 6.653 -2.845 1.00 0.00 C ATOM 27 CD ARG A 3 10.202 5.183 -2.676 1.00 0.00 C ATOM 28 NE ARG A 3 11.283 4.422 -2.043 1.00 0.00 N ATOM 29 CZ ARG A 3 12.472 4.191 -2.609 1.00 0.00 C ATOM 30 NH1 ARG A 3 12.721 4.591 -3.854 1.00 0.00 N ATOM 31 NH2 ARG A 3 13.413 3.539 -1.933 1.00 0.00 N ATOM 32 H ARG A 3 7.392 8.881 -4.032 1.00 0.00 H ATOM 33 HA ARG A 3 7.714 6.443 -2.671 1.00 0.00 H ATOM 34 HB2 ARG A 3 9.223 7.032 -4.451 1.00 0.00 H ATOM 35 HB3 ARG A 3 9.754 8.471 -3.594 1.00 0.00 H ATOM 36 HG2 ARG A 3 11.432 6.729 -3.478 1.00 0.00 H ATOM 37 HG3 ARG A 3 10.784 7.073 -1.875 1.00 0.00 H ATOM 38 HD2 ARG A 3 9.318 5.110 -2.060 1.00 0.00 H ATOM 39 HD3 ARG A 3 9.997 4.760 -3.648 1.00 0.00 H ATOM 40 HE ARG A 3 11.121 4.081 -1.139 1.00 0.00 H ATOM 41 HH11 ARG A 3 12.017 5.069 -4.379 1.00 0.00 H ATOM 42 HH12 ARG A 3 13.614 4.413 -4.267 1.00 0.00 H ATOM 43 HH21 ARG A 3 13.230 3.222 -1.001 1.00 0.00 H ATOM 44 HH22 ARG A 3 14.304 3.366 -2.354 1.00 0.00 H ATOM 45 N GLN A 4 8.600 9.127 -0.969 1.00 0.00 N ATOM 46 CA GLN A 4 8.877 9.629 0.376 1.00 0.00 C ATOM 47 C GLN A 4 7.704 9.333 1.310 1.00 0.00 C ATOM 48 O GLN A 4 7.889 8.790 2.399 1.00 0.00 O ATOM 49 CB GLN A 4 9.152 11.137 0.338 1.00 0.00 C ATOM 50 CG GLN A 4 9.553 11.725 1.683 1.00 0.00 C ATOM 51 CD GLN A 4 9.782 13.224 1.622 1.00 0.00 C ATOM 52 OE1 GLN A 4 8.861 13.993 1.347 1.00 0.00 O ATOM 53 NE2 GLN A 4 11.016 13.649 1.874 1.00 0.00 N ATOM 54 H GLN A 4 8.545 9.762 -1.713 1.00 0.00 H ATOM 55 HA GLN A 4 9.753 9.120 0.745 1.00 0.00 H ATOM 56 HB2 GLN A 4 9.950 11.328 -0.364 1.00 0.00 H ATOM 57 HB3 GLN A 4 8.260 11.644 0.000 1.00 0.00 H ATOM 58 HG2 GLN A 4 8.767 11.526 2.398 1.00 0.00 H ATOM 59 HG3 GLN A 4 10.465 11.248 2.011 1.00 0.00 H ATOM 60 HE21 GLN A 4 11.703 12.982 2.084 1.00 0.00 H ATOM 61 HE22 GLN A 4 11.190 14.613 1.836 1.00 0.00 H ATOM 62 N ALA A 5 6.498 9.688 0.866 1.00 0.00 N ATOM 63 CA ALA A 5 5.282 9.460 1.648 1.00 0.00 C ATOM 64 C ALA A 5 5.040 7.972 1.892 1.00 0.00 C ATOM 65 O ALA A 5 4.568 7.590 2.962 1.00 0.00 O ATOM 66 CB ALA A 5 4.079 10.084 0.955 1.00 0.00 C ATOM 67 H ALA A 5 6.424 10.109 -0.017 1.00 0.00 H ATOM 68 HA ALA A 5 5.408 9.948 2.607 1.00 0.00 H ATOM 69 HB1 ALA A 5 4.242 11.145 0.838 1.00 0.00 H ATOM 70 HB2 ALA A 5 3.194 9.919 1.552 1.00 0.00 H ATOM 71 HB3 ALA A 5 3.948 9.631 -0.017 1.00 0.00 H ATOM 72 N LYS A 6 5.367 7.134 0.903 1.00 0.00 N ATOM 73 CA LYS A 6 5.184 5.689 1.037 1.00 0.00 C ATOM 74 C LYS A 6 6.028 5.151 2.187 1.00 0.00 C ATOM 75 O LYS A 6 5.519 4.464 3.072 1.00 0.00 O ATOM 76 CB LYS A 6 5.548 4.959 -0.262 1.00 0.00 C ATOM 77 CG LYS A 6 5.669 3.451 -0.090 1.00 0.00 C ATOM 78 CD LYS A 6 4.366 2.834 0.399 1.00 0.00 C ATOM 79 CE LYS A 6 4.600 1.492 1.079 1.00 0.00 C ATOM 80 NZ LYS A 6 5.249 1.643 2.385 1.00 0.00 N ATOM 81 H LYS A 6 5.745 7.494 0.075 1.00 0.00 H ATOM 82 HA LYS A 6 4.145 5.509 1.261 1.00 0.00 H ATOM 83 HB2 LYS A 6 4.784 5.157 -1.000 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.493 5.337 -0.623 1.00 0.00 H ATOM 85 HG2 LYS A 6 5.928 3.010 -1.041 1.00 0.00 H ATOM 86 HG3 LYS A 6 6.448 3.242 0.629 1.00 0.00 H ATOM 87 HD2 LYS A 6 3.902 3.506 1.106 1.00 0.00 H ATOM 88 HD3 LYS A 6 3.709 2.689 -0.446 1.00 0.00 H ATOM 89 HE2 LYS A 6 3.648 1.001 1.215 1.00 0.00 H ATOM 90 HE3 LYS A 6 5.228 0.886 0.444 1.00 0.00 H ATOM 91 HZ1 LYS A 6 6.112 2.109 2.412 1.00 0.00 H ATOM 92 N ARG A 7 7.318 5.482 2.171 1.00 0.00 N ATOM 93 CA ARG A 7 8.235 5.049 3.222 1.00 0.00 C ATOM 94 C ARG A 7 7.772 5.583 4.576 1.00 0.00 C ATOM 95 O ARG A 7 7.835 4.885 5.589 1.00 0.00 O ATOM 96 CB ARG A 7 9.659 5.523 2.919 1.00 0.00 C ATOM 97 CG ARG A 7 10.219 4.962 1.620 1.00 0.00 C ATOM 98 CD ARG A 7 11.649 5.421 1.375 1.00 0.00 C ATOM 99 NE ARG A 7 12.570 4.931 2.402 1.00 0.00 N ATOM 100 CZ ARG A 7 13.888 5.137 2.382 1.00 0.00 C ATOM 101 NH1 ARG A 7 14.452 5.815 1.385 1.00 0.00 N ATOM 102 NH2 ARG A 7 14.647 4.657 3.362 1.00 0.00 N ATOM 103 H ARG A 7 7.656 6.043 1.441 1.00 0.00 H ATOM 104 HA ARG A 7 8.221 3.969 3.250 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.661 6.601 2.853 1.00 0.00 H ATOM 106 HB3 ARG A 7 10.308 5.219 3.728 1.00 0.00 H ATOM 107 HG2 ARG A 7 10.204 3.884 1.669 1.00 0.00 H ATOM 108 HG3 ARG A 7 9.599 5.295 0.800 1.00 0.00 H ATOM 109 HD2 ARG A 7 11.971 5.052 0.413 1.00 0.00 H ATOM 110 HD3 ARG A 7 11.670 6.501 1.370 1.00 0.00 H ATOM 111 HE ARG A 7 12.186 4.424 3.148 1.00 0.00 H ATOM 112 HH11 ARG A 7 13.888 6.176 0.642 1.00 0.00 H ATOM 113 HH12 ARG A 7 15.441 5.964 1.379 1.00 0.00 H ATOM 114 HH21 ARG A 7 14.231 4.144 4.113 1.00 0.00 H ATOM 115 HH22 ARG A 7 15.636 4.807 3.349 1.00 0.00 H ATOM 116 N ASN A 8 7.287 6.826 4.569 1.00 0.00 N ATOM 117 CA ASN A 8 6.783 7.476 5.773 1.00 0.00 C ATOM 118 C ASN A 8 5.505 6.795 6.265 1.00 0.00 C ATOM 119 O ASN A 8 5.296 6.639 7.467 1.00 0.00 O ATOM 120 CB ASN A 8 6.526 8.962 5.490 1.00 0.00 C ATOM 121 CG ASN A 8 7.801 9.788 5.524 1.00 0.00 C ATOM 122 OD1 ASN A 8 8.747 9.524 4.782 1.00 0.00 O ATOM 123 ND2 ASN A 8 7.835 10.796 6.389 1.00 0.00 N ATOM 124 H ASN A 8 7.255 7.316 3.721 1.00 0.00 H ATOM 125 HA ASN A 8 7.539 7.389 6.538 1.00 0.00 H ATOM 126 HB2 ASN A 8 6.087 9.060 4.508 1.00 0.00 H ATOM 127 HB3 ASN A 8 5.840 9.355 6.221 1.00 0.00 H ATOM 128 HD21 ASN A 8 7.048 10.953 6.951 1.00 0.00 H ATOM 129 HD22 ASN A 8 8.648 11.343 6.428 1.00 0.00 H ATOM 130 N ARG A 9 4.658 6.393 5.323 1.00 0.00 N ATOM 131 CA ARG A 9 3.397 5.727 5.645 1.00 0.00 C ATOM 132 C ARG A 9 3.623 4.311 6.178 1.00 0.00 C ATOM 133 O ARG A 9 3.057 3.936 7.203 1.00 0.00 O ATOM 134 CB ARG A 9 2.492 5.674 4.407 1.00 0.00 C ATOM 135 CG ARG A 9 1.229 4.846 4.605 1.00 0.00 C ATOM 136 CD ARG A 9 0.402 4.774 3.329 1.00 0.00 C ATOM 137 NE ARG A 9 -0.708 3.826 3.441 1.00 0.00 N ATOM 138 CZ ARG A 9 -1.770 3.994 4.236 1.00 0.00 C ATOM 139 NH1 ARG A 9 -1.911 5.102 4.957 1.00 0.00 N ATOM 140 NH2 ARG A 9 -2.704 3.051 4.296 1.00 0.00 N ATOM 141 H ARG A 9 4.888 6.548 4.383 1.00 0.00 H ATOM 142 HA ARG A 9 2.904 6.309 6.410 1.00 0.00 H ATOM 143 HB2 ARG A 9 2.198 6.681 4.148 1.00 0.00 H ATOM 144 HB3 ARG A 9 3.050 5.250 3.586 1.00 0.00 H ATOM 145 HG2 ARG A 9 1.510 3.844 4.894 1.00 0.00 H ATOM 146 HG3 ARG A 9 0.634 5.294 5.387 1.00 0.00 H ATOM 147 HD2 ARG A 9 0.003 5.756 3.119 1.00 0.00 H ATOM 148 HD3 ARG A 9 1.044 4.467 2.516 1.00 0.00 H ATOM 149 HE ARG A 9 -0.652 3.007 2.905 1.00 0.00 H ATOM 150 HH11 ARG A 9 -1.221 5.823 4.911 1.00 0.00 H ATOM 151 HH12 ARG A 9 -2.710 5.215 5.548 1.00 0.00 H ATOM 152 HH21 ARG A 9 -2.612 2.219 3.748 1.00 0.00 H ATOM 153 HH22 ARG A 9 -3.501 3.172 4.890 1.00 0.00 H ATOM 154 N ASP A 10 4.441 3.527 5.470 1.00 0.00 N ATOM 155 CA ASP A 10 4.725 2.149 5.871 1.00 0.00 C ATOM 156 C ASP A 10 5.451 2.098 7.214 1.00 0.00 C ATOM 157 O ASP A 10 5.071 1.329 8.098 1.00 0.00 O ATOM 158 CB ASP A 10 5.539 1.425 4.790 1.00 0.00 C ATOM 159 CG ASP A 10 4.730 1.182 3.525 1.00 0.00 C ATOM 160 OD1 ASP A 10 3.654 0.583 3.575 1.00 0.00 O ATOM 161 H ASP A 10 4.857 3.882 4.656 1.00 0.00 H ATOM 162 HA ASP A 10 3.776 1.645 5.981 1.00 0.00 H ATOM 163 HB2 ASP A 10 6.402 2.022 4.536 1.00 0.00 H ATOM 164 HB3 ASP A 10 5.867 0.470 5.174 1.00 0.00 H ATOM 165 N ARG A 11 6.484 2.929 7.369 1.00 0.00 N ATOM 166 CA ARG A 11 7.248 2.984 8.618 1.00 0.00 C ATOM 167 C ARG A 11 6.333 3.373 9.776 1.00 0.00 C ATOM 168 O ARG A 11 6.373 2.768 10.848 1.00 0.00 O ATOM 169 CB ARG A 11 8.394 3.995 8.490 1.00 0.00 C ATOM 170 CG ARG A 11 9.302 4.082 9.711 1.00 0.00 C ATOM 171 CD ARG A 11 10.316 2.945 9.756 1.00 0.00 C ATOM 172 NE ARG A 11 9.712 1.654 10.093 1.00 0.00 N ATOM 173 CZ ARG A 11 9.209 1.349 11.293 1.00 0.00 C ATOM 174 NH1 ARG A 11 9.202 2.246 12.276 1.00 0.00 N ATOM 175 NH2 ARG A 11 8.714 0.137 11.513 1.00 0.00 N ATOM 176 H ARG A 11 6.731 3.526 6.631 1.00 0.00 H ATOM 177 HA ARG A 11 7.653 2.001 8.807 1.00 0.00 H ATOM 178 HB2 ARG A 11 9.003 3.722 7.641 1.00 0.00 H ATOM 179 HB3 ARG A 11 7.973 4.974 8.315 1.00 0.00 H ATOM 180 HG2 ARG A 11 9.835 5.020 9.683 1.00 0.00 H ATOM 181 HG3 ARG A 11 8.691 4.044 10.602 1.00 0.00 H ATOM 182 HD2 ARG A 11 10.785 2.863 8.786 1.00 0.00 H ATOM 183 HD3 ARG A 11 11.067 3.183 10.495 1.00 0.00 H ATOM 184 HE ARG A 11 9.693 0.971 9.390 1.00 0.00 H ATOM 185 HH11 ARG A 11 9.577 3.160 12.127 1.00 0.00 H ATOM 186 HH12 ARG A 11 8.819 2.006 13.169 1.00 0.00 H ATOM 187 HH21 ARG A 11 8.721 -0.547 10.782 1.00 0.00 H ATOM 188 HH22 ARG A 11 8.335 -0.094 12.411 1.00 0.00 H ATOM 189 N ARG A 12 5.501 4.380 9.538 1.00 0.00 N ATOM 190 CA ARG A 12 4.556 4.853 10.544 1.00 0.00 C ATOM 191 C ARG A 12 3.515 3.775 10.852 1.00 0.00 C ATOM 192 O ARG A 12 3.158 3.557 12.011 1.00 0.00 O ATOM 193 CB ARG A 12 3.863 6.130 10.057 1.00 0.00 C ATOM 194 CG ARG A 12 2.926 6.754 11.081 1.00 0.00 C ATOM 195 CD ARG A 12 2.222 7.981 10.519 1.00 0.00 C ATOM 196 NE ARG A 12 3.166 9.020 10.099 1.00 0.00 N ATOM 197 CZ ARG A 12 2.804 10.182 9.548 1.00 0.00 C ATOM 198 NH1 ARG A 12 1.518 10.464 9.346 1.00 0.00 N ATOM 199 NH2 ARG A 12 3.733 11.065 9.195 1.00 0.00 N ATOM 200 H ARG A 12 5.515 4.810 8.657 1.00 0.00 H ATOM 201 HA ARG A 12 5.110 5.072 11.445 1.00 0.00 H ATOM 202 HB2 ARG A 12 4.618 6.858 9.804 1.00 0.00 H ATOM 203 HB3 ARG A 12 3.289 5.897 9.172 1.00 0.00 H ATOM 204 HG2 ARG A 12 2.183 6.025 11.366 1.00 0.00 H ATOM 205 HG3 ARG A 12 3.501 7.045 11.949 1.00 0.00 H ATOM 206 HD2 ARG A 12 1.631 7.681 9.666 1.00 0.00 H ATOM 207 HD3 ARG A 12 1.573 8.386 11.280 1.00 0.00 H ATOM 208 HE ARG A 12 4.121 8.843 10.232 1.00 0.00 H ATOM 209 HH11 ARG A 12 0.812 9.805 9.606 1.00 0.00 H ATOM 210 HH12 ARG A 12 1.257 11.337 8.934 1.00 0.00 H ATOM 211 HH21 ARG A 12 4.700 10.859 9.343 1.00 0.00 H ATOM 212 HH22 ARG A 12 3.465 11.936 8.782 1.00 0.00 H ATOM 213 N LYS A 13 3.039 3.101 9.800 1.00 0.00 N ATOM 214 CA LYS A 13 2.044 2.037 9.935 1.00 0.00 C ATOM 215 C LYS A 13 2.539 0.925 10.855 1.00 0.00 C ATOM 216 O LYS A 13 1.773 0.388 11.649 1.00 0.00 O ATOM 217 CB LYS A 13 1.687 1.463 8.558 1.00 0.00 C ATOM 218 CG LYS A 13 0.602 2.245 7.829 1.00 0.00 C ATOM 219 CD LYS A 13 -0.778 1.599 7.963 1.00 0.00 C ATOM 220 CE LYS A 13 -1.286 1.572 9.403 1.00 0.00 C ATOM 221 NZ LYS A 13 -0.713 0.473 10.187 1.00 0.00 N ATOM 222 H LYS A 13 3.372 3.324 8.905 1.00 0.00 H ATOM 223 HA LYS A 13 1.158 2.472 10.369 1.00 0.00 H ATOM 224 HB2 LYS A 13 2.574 1.466 7.941 1.00 0.00 H ATOM 225 HB3 LYS A 13 1.350 0.445 8.678 1.00 0.00 H ATOM 226 HG2 LYS A 13 0.558 3.243 8.239 1.00 0.00 H ATOM 227 HG3 LYS A 13 0.861 2.300 6.781 1.00 0.00 H ATOM 228 HD2 LYS A 13 -1.480 2.157 7.363 1.00 0.00 H ATOM 229 HD3 LYS A 13 -0.721 0.585 7.595 1.00 0.00 H ATOM 230 HE2 LYS A 13 -1.028 2.506 9.878 1.00 0.00 H ATOM 231 HE3 LYS A 13 -2.361 1.465 9.385 1.00 0.00 H ATOM 232 HZ1 LYS A 13 0.238 0.287 10.077 1.00 0.00 H ATOM 233 N ARG A 14 3.821 0.587 10.746 1.00 0.00 N ATOM 234 CA ARG A 14 4.408 -0.463 11.578 1.00 0.00 C ATOM 235 C ARG A 14 4.255 -0.143 13.068 1.00 0.00 C ATOM 236 O ARG A 14 4.023 -1.040 13.879 1.00 0.00 O ATOM 237 CB ARG A 14 5.886 -0.649 11.230 1.00 0.00 C ATOM 238 CG ARG A 14 6.129 -1.138 9.809 1.00 0.00 C ATOM 239 CD ARG A 14 5.677 -2.579 9.621 1.00 0.00 C ATOM 240 NE ARG A 14 6.423 -3.507 10.474 1.00 0.00 N ATOM 241 CZ ARG A 14 7.729 -3.766 10.344 1.00 0.00 C ATOM 242 NH1 ARG A 14 8.438 -3.210 9.363 1.00 0.00 N ATOM 243 NH2 ARG A 14 8.326 -4.597 11.193 1.00 0.00 N ATOM 244 H ARG A 14 4.388 1.057 10.093 1.00 0.00 H ATOM 245 HA ARG A 14 3.879 -1.382 11.367 1.00 0.00 H ATOM 246 HB2 ARG A 14 6.391 0.297 11.351 1.00 0.00 H ATOM 247 HB3 ARG A 14 6.317 -1.367 11.913 1.00 0.00 H ATOM 248 HG2 ARG A 14 5.580 -0.511 9.125 1.00 0.00 H ATOM 249 HG3 ARG A 14 7.184 -1.069 9.592 1.00 0.00 H ATOM 250 HD2 ARG A 14 4.627 -2.649 9.862 1.00 0.00 H ATOM 251 HD3 ARG A 14 5.827 -2.857 8.587 1.00 0.00 H ATOM 252 HE ARG A 14 5.927 -3.953 11.192 1.00 0.00 H ATOM 253 HH11 ARG A 14 7.998 -2.594 8.711 1.00 0.00 H ATOM 254 HH12 ARG A 14 9.415 -3.409 9.279 1.00 0.00 H ATOM 255 HH21 ARG A 14 7.799 -5.027 11.926 1.00 0.00 H ATOM 256 HH22 ARG A 14 9.303 -4.793 11.098 1.00 0.00 H ATOM 257 N GLU A 15 4.391 1.139 13.421 1.00 0.00 N ATOM 258 CA GLU A 15 4.273 1.575 14.814 1.00 0.00 C ATOM 259 C GLU A 15 2.826 1.504 15.315 1.00 0.00 C ATOM 260 O GLU A 15 2.558 0.915 16.364 1.00 0.00 O ATOM 261 CB GLU A 15 4.811 3.003 14.970 1.00 0.00 C ATOM 262 CG GLU A 15 6.286 3.150 14.609 1.00 0.00 C ATOM 263 CD GLU A 15 7.225 2.405 15.551 1.00 0.00 C ATOM 264 OE1 GLU A 15 6.751 1.853 16.570 1.00 0.00 O ATOM 265 OE2 GLU A 15 8.442 2.385 15.273 1.00 0.00 O ATOM 266 H GLU A 15 4.580 1.807 12.729 1.00 0.00 H ATOM 267 HA GLU A 15 4.873 0.912 15.414 1.00 0.00 H ATOM 268 HB2 GLU A 15 4.241 3.662 14.332 1.00 0.00 H ATOM 269 HB3 GLU A 15 4.683 3.314 15.997 1.00 0.00 H ATOM 270 HG2 GLU A 15 6.436 2.769 13.610 1.00 0.00 H ATOM 271 HG3 GLU A 15 6.542 4.200 14.629 1.00 0.00 H ATOM 272 N ARG A 16 1.901 2.108 14.566 1.00 0.00 N ATOM 273 CA ARG A 16 0.483 2.114 14.942 1.00 0.00 C ATOM 274 C ARG A 16 -0.152 0.733 14.779 1.00 0.00 C ATOM 275 O ARG A 16 -0.745 0.199 15.718 1.00 0.00 O ATOM 276 CB ARG A 16 -0.289 3.143 14.107 1.00 0.00 C ATOM 277 CG ARG A 16 -0.061 4.583 14.543 1.00 0.00 C ATOM 278 CD ARG A 16 -0.703 4.866 15.896 1.00 0.00 C ATOM 279 NE ARG A 16 -2.158 4.693 15.862 1.00 0.00 N ATOM 280 CZ ARG A 16 -2.955 4.823 16.926 1.00 0.00 C ATOM 281 NH1 ARG A 16 -2.451 5.123 18.120 1.00 0.00 N ATOM 282 NH2 ARG A 16 -4.266 4.653 16.793 1.00 0.00 N ATOM 283 H ARG A 16 2.178 2.562 13.744 1.00 0.00 H ATOM 284 HA ARG A 16 0.422 2.397 15.981 1.00 0.00 H ATOM 285 HB2 ARG A 16 0.015 3.051 13.075 1.00 0.00 H ATOM 286 HB3 ARG A 16 -1.345 2.930 14.182 1.00 0.00 H ATOM 287 HG2 ARG A 16 1.001 4.763 14.616 1.00 0.00 H ATOM 288 HG3 ARG A 16 -0.491 5.245 13.805 1.00 0.00 H ATOM 289 HD2 ARG A 16 -0.287 4.189 16.627 1.00 0.00 H ATOM 290 HD3 ARG A 16 -0.478 5.884 16.179 1.00 0.00 H ATOM 291 HE ARG A 16 -2.565 4.469 14.999 1.00 0.00 H ATOM 292 HH11 ARG A 16 -1.466 5.255 18.231 1.00 0.00 H ATOM 293 HH12 ARG A 16 -3.058 5.217 18.910 1.00 0.00 H ATOM 294 HH21 ARG A 16 -4.653 4.427 15.898 1.00 0.00 H ATOM 295 HH22 ARG A 16 -4.867 4.748 17.587 1.00 0.00 H ATOM 296 N ASP A 17 -0.027 0.169 13.581 1.00 0.00 N ATOM 297 CA ASP A 17 -0.590 -1.146 13.277 1.00 0.00 C ATOM 298 C ASP A 17 0.212 -2.260 13.950 1.00 0.00 C ATOM 299 O ASP A 17 -0.342 -3.080 14.683 1.00 0.00 O ATOM 300 CB ASP A 17 -0.633 -1.367 11.761 1.00 0.00 C ATOM 301 CG ASP A 17 -1.411 -0.279 11.037 1.00 0.00 C ATOM 302 OD1 ASP A 17 -2.614 -0.117 11.247 1.00 0.00 O ATOM 303 H ASP A 17 0.454 0.654 12.878 1.00 0.00 H ATOM 304 HA ASP A 17 -1.600 -1.167 13.661 1.00 0.00 H ATOM 305 HB2 ASP A 17 0.376 -1.378 11.376 1.00 0.00 H ATOM 306 HB3 ASP A 17 -1.099 -2.318 11.554 1.00 0.00 H HETATM 307 N NH2 A 18 1.518 -2.295 13.701 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.897 -1.612 13.107 1.00 0.00 H HETATM 309 HN2 NH2 A 18 2.050 -3.002 14.121 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 3 HETATM 1 C ACE A 1 5.821 11.104 -3.188 1.00 0.00 C HETATM 2 O ACE A 1 5.716 10.910 -1.976 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.327 12.316 -3.674 1.00 0.00 C HETATM 4 H1 ACE A 1 7.361 12.182 -3.962 1.00 0.00 H HETATM 5 H2 ACE A 1 6.261 13.069 -2.905 1.00 0.00 H HETATM 6 H3 ACE A 1 5.751 12.631 -4.530 1.00 0.00 H ATOM 7 N THR A 2 5.473 10.192 -4.098 1.00 0.00 N ATOM 8 CA THR A 2 4.938 8.883 -3.724 1.00 0.00 C ATOM 9 C THR A 2 5.941 8.094 -2.881 1.00 0.00 C ATOM 10 O THR A 2 5.568 7.472 -1.883 1.00 0.00 O ATOM 11 CB THR A 2 4.562 8.058 -4.976 1.00 0.00 C ATOM 12 OG1 THR A 2 3.492 8.699 -5.686 1.00 0.00 O ATOM 13 CG2 THR A 2 4.155 6.635 -4.605 1.00 0.00 C ATOM 14 H THR A 2 5.583 10.403 -5.049 1.00 0.00 H ATOM 15 HA THR A 2 4.043 9.044 -3.143 1.00 0.00 H ATOM 16 HB THR A 2 5.428 8.011 -5.620 1.00 0.00 H ATOM 17 HG1 THR A 2 2.701 8.702 -5.140 1.00 0.00 H ATOM 18 HG21 THR A 2 3.425 6.664 -3.809 1.00 0.00 H ATOM 19 HG22 THR A 2 5.025 6.086 -4.275 1.00 0.00 H ATOM 20 HG23 THR A 2 3.727 6.147 -5.467 1.00 0.00 H ATOM 21 N ARG A 3 7.212 8.121 -3.290 1.00 0.00 N ATOM 22 CA ARG A 3 8.268 7.405 -2.573 1.00 0.00 C ATOM 23 C ARG A 3 8.442 7.943 -1.150 1.00 0.00 C ATOM 24 O ARG A 3 8.508 7.169 -0.196 1.00 0.00 O ATOM 25 CB ARG A 3 9.596 7.480 -3.342 1.00 0.00 C ATOM 26 CG ARG A 3 10.089 8.898 -3.599 1.00 0.00 C ATOM 27 CD ARG A 3 11.459 8.906 -4.265 1.00 0.00 C ATOM 28 NE ARG A 3 11.456 8.223 -5.560 1.00 0.00 N ATOM 29 CZ ARG A 3 12.514 8.158 -6.372 1.00 0.00 C ATOM 30 NH1 ARG A 3 13.658 8.753 -6.041 1.00 0.00 N ATOM 31 NH2 ARG A 3 12.427 7.497 -7.521 1.00 0.00 N ATOM 32 H ARG A 3 7.442 8.633 -4.092 1.00 0.00 H ATOM 33 HA ARG A 3 7.967 6.371 -2.508 1.00 0.00 H ATOM 34 HB2 ARG A 3 10.353 6.956 -2.779 1.00 0.00 H ATOM 35 HB3 ARG A 3 9.470 6.989 -4.297 1.00 0.00 H ATOM 36 HG2 ARG A 3 9.385 9.403 -4.243 1.00 0.00 H ATOM 37 HG3 ARG A 3 10.156 9.420 -2.656 1.00 0.00 H ATOM 38 HD2 ARG A 3 11.768 9.930 -4.410 1.00 0.00 H ATOM 39 HD3 ARG A 3 12.163 8.411 -3.611 1.00 0.00 H ATOM 40 HE ARG A 3 10.625 7.783 -5.837 1.00 0.00 H ATOM 41 HH11 ARG A 3 13.734 9.254 -5.179 1.00 0.00 H ATOM 42 HH12 ARG A 3 14.444 8.703 -6.658 1.00 0.00 H ATOM 43 HH21 ARG A 3 11.571 7.049 -7.776 1.00 0.00 H ATOM 44 HH22 ARG A 3 13.218 7.449 -8.132 1.00 0.00 H ATOM 45 N GLN A 4 8.505 9.270 -1.013 1.00 0.00 N ATOM 46 CA GLN A 4 8.662 9.901 0.300 1.00 0.00 C ATOM 47 C GLN A 4 7.455 9.614 1.193 1.00 0.00 C ATOM 48 O GLN A 4 7.608 9.243 2.359 1.00 0.00 O ATOM 49 CB GLN A 4 8.832 11.416 0.158 1.00 0.00 C ATOM 50 CG GLN A 4 9.010 12.133 1.490 1.00 0.00 C ATOM 51 CD GLN A 4 8.316 13.482 1.529 1.00 0.00 C ATOM 52 OE1 GLN A 4 8.657 14.393 0.775 1.00 0.00 O ATOM 53 NE2 GLN A 4 7.326 13.613 2.408 1.00 0.00 N ATOM 54 H GLN A 4 8.437 9.835 -1.810 1.00 0.00 H ATOM 55 HA GLN A 4 9.544 9.489 0.763 1.00 0.00 H ATOM 56 HB2 GLN A 4 9.701 11.614 -0.453 1.00 0.00 H ATOM 57 HB3 GLN A 4 7.959 11.822 -0.331 1.00 0.00 H ATOM 58 HG2 GLN A 4 8.602 11.514 2.277 1.00 0.00 H ATOM 59 HG3 GLN A 4 10.065 12.283 1.664 1.00 0.00 H ATOM 60 HE21 GLN A 4 7.103 12.842 2.973 1.00 0.00 H ATOM 61 HE22 GLN A 4 6.858 14.472 2.454 1.00 0.00 H ATOM 62 N ALA A 5 6.258 9.800 0.634 1.00 0.00 N ATOM 63 CA ALA A 5 5.015 9.576 1.366 1.00 0.00 C ATOM 64 C ALA A 5 4.924 8.146 1.889 1.00 0.00 C ATOM 65 O ALA A 5 4.523 7.925 3.033 1.00 0.00 O ATOM 66 CB ALA A 5 3.814 9.896 0.485 1.00 0.00 C ATOM 67 H ALA A 5 6.211 10.099 -0.296 1.00 0.00 H ATOM 68 HA ALA A 5 5.002 10.253 2.207 1.00 0.00 H ATOM 69 HB1 ALA A 5 2.904 9.703 1.033 1.00 0.00 H ATOM 70 HB2 ALA A 5 3.840 9.276 -0.399 1.00 0.00 H ATOM 71 HB3 ALA A 5 3.846 10.937 0.196 1.00 0.00 H ATOM 72 N LYS A 6 5.294 7.178 1.049 1.00 0.00 N ATOM 73 CA LYS A 6 5.239 5.771 1.440 1.00 0.00 C ATOM 74 C LYS A 6 6.268 5.437 2.518 1.00 0.00 C ATOM 75 O LYS A 6 5.940 4.763 3.489 1.00 0.00 O ATOM 76 CB LYS A 6 5.437 4.840 0.241 1.00 0.00 C ATOM 77 CG LYS A 6 5.364 3.367 0.622 1.00 0.00 C ATOM 78 CD LYS A 6 4.010 3.015 1.228 1.00 0.00 C ATOM 79 CE LYS A 6 4.064 1.728 2.039 1.00 0.00 C ATOM 80 NZ LYS A 6 4.675 1.926 3.358 1.00 0.00 N ATOM 81 H LYS A 6 5.604 7.418 0.149 1.00 0.00 H ATOM 82 HA LYS A 6 4.258 5.595 1.850 1.00 0.00 H ATOM 83 HB2 LYS A 6 4.670 5.042 -0.493 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.406 5.030 -0.196 1.00 0.00 H ATOM 85 HG2 LYS A 6 5.517 2.769 -0.264 1.00 0.00 H ATOM 86 HG3 LYS A 6 6.140 3.153 1.342 1.00 0.00 H ATOM 87 HD2 LYS A 6 3.698 3.819 1.877 1.00 0.00 H ATOM 88 HD3 LYS A 6 3.292 2.897 0.430 1.00 0.00 H ATOM 89 HE2 LYS A 6 3.058 1.361 2.172 1.00 0.00 H ATOM 90 HE3 LYS A 6 4.642 0.997 1.491 1.00 0.00 H ATOM 91 HZ1 LYS A 6 4.080 2.189 4.090 1.00 0.00 H ATOM 92 N ARG A 7 7.511 5.898 2.346 1.00 0.00 N ATOM 93 CA ARG A 7 8.566 5.617 3.328 1.00 0.00 C ATOM 94 C ARG A 7 8.129 6.025 4.734 1.00 0.00 C ATOM 95 O ARG A 7 8.241 5.245 5.680 1.00 0.00 O ATOM 96 CB ARG A 7 9.875 6.334 2.972 1.00 0.00 C ATOM 97 CG ARG A 7 10.560 5.802 1.725 1.00 0.00 C ATOM 98 CD ARG A 7 11.980 6.334 1.600 1.00 0.00 C ATOM 99 NE ARG A 7 12.604 5.925 0.343 1.00 0.00 N ATOM 100 CZ ARG A 7 12.421 6.551 -0.823 1.00 0.00 C ATOM 101 NH1 ARG A 7 11.753 7.702 -0.874 1.00 0.00 N ATOM 102 NH2 ARG A 7 12.933 6.039 -1.939 1.00 0.00 N ATOM 103 H ARG A 7 7.721 6.427 1.548 1.00 0.00 H ATOM 104 HA ARG A 7 8.740 4.552 3.321 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.667 7.383 2.820 1.00 0.00 H ATOM 106 HB3 ARG A 7 10.560 6.232 3.800 1.00 0.00 H ATOM 107 HG2 ARG A 7 10.596 4.724 1.780 1.00 0.00 H ATOM 108 HG3 ARG A 7 9.994 6.101 0.857 1.00 0.00 H ATOM 109 HD2 ARG A 7 11.952 7.414 1.645 1.00 0.00 H ATOM 110 HD3 ARG A 7 12.567 5.956 2.424 1.00 0.00 H ATOM 111 HE ARG A 7 13.155 5.114 0.358 1.00 0.00 H ATOM 112 HH11 ARG A 7 11.381 8.106 -0.039 1.00 0.00 H ATOM 113 HH12 ARG A 7 11.631 8.169 -1.748 1.00 0.00 H ATOM 114 HH21 ARG A 7 13.454 5.185 -1.905 1.00 0.00 H ATOM 115 HH22 ARG A 7 12.794 6.504 -2.814 1.00 0.00 H ATOM 116 N ASN A 8 7.623 7.251 4.854 1.00 0.00 N ATOM 117 CA ASN A 8 7.157 7.778 6.134 1.00 0.00 C ATOM 118 C ASN A 8 5.955 6.983 6.648 1.00 0.00 C ATOM 119 O ASN A 8 5.890 6.633 7.828 1.00 0.00 O ATOM 120 CB ASN A 8 6.787 9.259 5.980 1.00 0.00 C ATOM 121 CG ASN A 8 6.480 9.941 7.301 1.00 0.00 C ATOM 122 OD1 ASN A 8 5.569 9.540 8.028 1.00 0.00 O ATOM 123 ND2 ASN A 8 7.241 10.986 7.616 1.00 0.00 N ATOM 124 H ASN A 8 7.557 7.815 4.056 1.00 0.00 H ATOM 125 HA ASN A 8 7.965 7.689 6.845 1.00 0.00 H ATOM 126 HB2 ASN A 8 7.612 9.778 5.515 1.00 0.00 H ATOM 127 HB3 ASN A 8 5.917 9.339 5.344 1.00 0.00 H ATOM 128 HD21 ASN A 8 7.947 11.252 6.990 1.00 0.00 H ATOM 129 HD22 ASN A 8 7.063 11.450 8.461 1.00 0.00 H ATOM 130 N ARG A 9 5.007 6.706 5.751 1.00 0.00 N ATOM 131 CA ARG A 9 3.799 5.958 6.101 1.00 0.00 C ATOM 132 C ARG A 9 4.112 4.512 6.490 1.00 0.00 C ATOM 133 O ARG A 9 3.545 3.996 7.447 1.00 0.00 O ATOM 134 CB ARG A 9 2.801 5.986 4.940 1.00 0.00 C ATOM 135 CG ARG A 9 1.540 5.174 5.200 1.00 0.00 C ATOM 136 CD ARG A 9 0.497 5.360 4.103 1.00 0.00 C ATOM 137 NE ARG A 9 0.002 6.739 4.032 1.00 0.00 N ATOM 138 CZ ARG A 9 0.613 7.733 3.376 1.00 0.00 C ATOM 139 NH1 ARG A 9 1.685 7.495 2.623 1.00 0.00 N ATOM 140 NH2 ARG A 9 0.130 8.969 3.451 1.00 0.00 N ATOM 141 H ARG A 9 5.122 7.016 4.829 1.00 0.00 H ATOM 142 HA ARG A 9 3.352 6.450 6.952 1.00 0.00 H ATOM 143 HB2 ARG A 9 2.512 7.009 4.756 1.00 0.00 H ATOM 144 HB3 ARG A 9 3.282 5.591 4.057 1.00 0.00 H ATOM 145 HG2 ARG A 9 1.804 4.129 5.253 1.00 0.00 H ATOM 146 HG3 ARG A 9 1.114 5.486 6.143 1.00 0.00 H ATOM 147 HD2 ARG A 9 0.939 5.096 3.154 1.00 0.00 H ATOM 148 HD3 ARG A 9 -0.335 4.701 4.304 1.00 0.00 H ATOM 149 HE ARG A 9 -0.816 6.946 4.531 1.00 0.00 H ATOM 150 HH11 ARG A 9 2.044 6.566 2.538 1.00 0.00 H ATOM 151 HH12 ARG A 9 2.134 8.247 2.141 1.00 0.00 H ATOM 152 HH21 ARG A 9 -0.689 9.155 3.995 1.00 0.00 H ATOM 153 HH22 ARG A 9 0.585 9.716 2.964 1.00 0.00 H ATOM 154 N ASP A 10 5.009 3.865 5.744 1.00 0.00 N ATOM 155 CA ASP A 10 5.384 2.475 6.018 1.00 0.00 C ATOM 156 C ASP A 10 5.880 2.301 7.453 1.00 0.00 C ATOM 157 O ASP A 10 5.546 1.317 8.115 1.00 0.00 O ATOM 158 CB ASP A 10 6.469 1.995 5.038 1.00 0.00 C ATOM 159 CG ASP A 10 5.980 1.761 3.607 1.00 0.00 C ATOM 160 OD1 ASP A 10 6.779 1.422 2.733 1.00 0.00 O ATOM 161 H ASP A 10 5.430 4.331 4.994 1.00 0.00 H ATOM 162 HA ASP A 10 4.502 1.867 5.886 1.00 0.00 H ATOM 163 HB2 ASP A 10 7.256 2.733 5.003 1.00 0.00 H ATOM 164 HB3 ASP A 10 6.880 1.067 5.409 1.00 0.00 H ATOM 165 N ARG A 11 6.687 3.255 7.924 1.00 0.00 N ATOM 166 CA ARG A 11 7.239 3.195 9.279 1.00 0.00 C ATOM 167 C ARG A 11 6.188 3.510 10.342 1.00 0.00 C ATOM 168 O ARG A 11 5.974 2.718 11.262 1.00 0.00 O ATOM 169 CB ARG A 11 8.419 4.163 9.432 1.00 0.00 C ATOM 170 CG ARG A 11 9.551 3.926 8.446 1.00 0.00 C ATOM 171 CD ARG A 11 10.784 4.739 8.816 1.00 0.00 C ATOM 172 NE ARG A 11 11.818 4.676 7.782 1.00 0.00 N ATOM 173 CZ ARG A 11 11.770 5.355 6.633 1.00 0.00 C ATOM 174 NH1 ARG A 11 10.791 6.229 6.405 1.00 0.00 N ATOM 175 NH2 ARG A 11 12.717 5.180 5.718 1.00 0.00 N ATOM 176 H ARG A 11 6.922 4.011 7.343 1.00 0.00 H ATOM 177 HA ARG A 11 7.592 2.187 9.441 1.00 0.00 H ATOM 178 HB2 ARG A 11 8.059 5.171 9.292 1.00 0.00 H ATOM 179 HB3 ARG A 11 8.817 4.070 10.432 1.00 0.00 H ATOM 180 HG2 ARG A 11 9.807 2.877 8.453 1.00 0.00 H ATOM 181 HG3 ARG A 11 9.223 4.212 7.459 1.00 0.00 H ATOM 182 HD2 ARG A 11 10.492 5.769 8.956 1.00 0.00 H ATOM 183 HD3 ARG A 11 11.189 4.353 9.740 1.00 0.00 H ATOM 184 HE ARG A 11 12.576 4.076 7.941 1.00 0.00 H ATOM 185 HH11 ARG A 11 10.083 6.382 7.094 1.00 0.00 H ATOM 186 HH12 ARG A 11 10.766 6.738 5.545 1.00 0.00 H ATOM 187 HH21 ARG A 11 13.466 4.539 5.890 1.00 0.00 H ATOM 188 HH22 ARG A 11 12.680 5.685 4.855 1.00 0.00 H ATOM 189 N ARG A 12 5.550 4.676 10.223 1.00 0.00 N ATOM 190 CA ARG A 12 4.537 5.101 11.191 1.00 0.00 C ATOM 191 C ARG A 12 3.378 4.111 11.237 1.00 0.00 C ATOM 192 O ARG A 12 2.870 3.780 12.308 1.00 0.00 O ATOM 193 CB ARG A 12 4.017 6.504 10.854 1.00 0.00 C ATOM 194 CG ARG A 12 5.091 7.589 10.829 1.00 0.00 C ATOM 195 CD ARG A 12 5.818 7.719 12.165 1.00 0.00 C ATOM 196 NE ARG A 12 6.809 6.657 12.369 1.00 0.00 N ATOM 197 CZ ARG A 12 7.544 6.518 13.476 1.00 0.00 C ATOM 198 NH1 ARG A 12 7.407 7.369 14.490 1.00 0.00 N ATOM 199 NH2 ARG A 12 8.423 5.524 13.565 1.00 0.00 N ATOM 200 H ARG A 12 5.775 5.269 9.475 1.00 0.00 H ATOM 201 HA ARG A 12 5.003 5.126 12.164 1.00 0.00 H ATOM 202 HB2 ARG A 12 3.548 6.475 9.882 1.00 0.00 H ATOM 203 HB3 ARG A 12 3.276 6.782 11.589 1.00 0.00 H ATOM 204 HG2 ARG A 12 5.814 7.348 10.065 1.00 0.00 H ATOM 205 HG3 ARG A 12 4.624 8.534 10.594 1.00 0.00 H ATOM 206 HD2 ARG A 12 6.320 8.674 12.193 1.00 0.00 H ATOM 207 HD3 ARG A 12 5.089 7.675 12.960 1.00 0.00 H ATOM 208 HE ARG A 12 6.939 6.017 11.640 1.00 0.00 H ATOM 209 HH11 ARG A 12 6.752 8.121 14.429 1.00 0.00 H ATOM 210 HH12 ARG A 12 7.961 7.256 15.315 1.00 0.00 H ATOM 211 HH21 ARG A 12 8.534 4.884 12.804 1.00 0.00 H ATOM 212 HH22 ARG A 12 8.975 5.417 14.392 1.00 0.00 H ATOM 213 N LYS A 13 2.971 3.637 10.067 1.00 0.00 N ATOM 214 CA LYS A 13 1.877 2.680 9.967 1.00 0.00 C ATOM 215 C LYS A 13 2.221 1.372 10.677 1.00 0.00 C ATOM 216 O LYS A 13 1.383 0.805 11.379 1.00 0.00 O ATOM 217 CB LYS A 13 1.537 2.402 8.498 1.00 0.00 C ATOM 218 CG LYS A 13 0.496 1.312 8.305 1.00 0.00 C ATOM 219 CD LYS A 13 -0.819 1.661 8.984 1.00 0.00 C ATOM 220 CE LYS A 13 -1.653 0.417 9.248 1.00 0.00 C ATOM 221 NZ LYS A 13 -1.023 -0.457 10.240 1.00 0.00 N ATOM 222 H LYS A 13 3.421 3.936 9.250 1.00 0.00 H ATOM 223 HA LYS A 13 1.016 3.115 10.447 1.00 0.00 H ATOM 224 HB2 LYS A 13 1.164 3.311 8.049 1.00 0.00 H ATOM 225 HB3 LYS A 13 2.439 2.101 7.985 1.00 0.00 H ATOM 226 HG2 LYS A 13 0.318 1.186 7.248 1.00 0.00 H ATOM 227 HG3 LYS A 13 0.874 0.389 8.720 1.00 0.00 H ATOM 228 HD2 LYS A 13 -0.611 2.150 9.925 1.00 0.00 H ATOM 229 HD3 LYS A 13 -1.376 2.329 8.344 1.00 0.00 H ATOM 230 HE2 LYS A 13 -2.625 0.719 9.609 1.00 0.00 H ATOM 231 HE3 LYS A 13 -1.765 -0.127 8.322 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -0.074 -0.668 10.118 1.00 0.00 H ATOM 233 N ARG A 14 3.452 0.893 10.484 1.00 0.00 N ATOM 234 CA ARG A 14 3.893 -0.357 11.102 1.00 0.00 C ATOM 235 C ARG A 14 3.769 -0.293 12.625 1.00 0.00 C ATOM 236 O ARG A 14 3.253 -1.221 13.249 1.00 0.00 O ATOM 237 CB ARG A 14 5.340 -0.664 10.705 1.00 0.00 C ATOM 238 CG ARG A 14 5.808 -2.046 11.130 1.00 0.00 C ATOM 239 CD ARG A 14 4.981 -3.140 10.471 1.00 0.00 C ATOM 240 NE ARG A 14 5.404 -4.479 10.881 1.00 0.00 N ATOM 241 CZ ARG A 14 5.252 -4.973 12.115 1.00 0.00 C ATOM 242 NH1 ARG A 14 4.648 -4.261 13.064 1.00 0.00 N ATOM 243 NH2 ARG A 14 5.696 -6.194 12.395 1.00 0.00 N ATOM 244 H ARG A 14 4.076 1.388 9.907 1.00 0.00 H ATOM 245 HA ARG A 14 3.255 -1.147 10.737 1.00 0.00 H ATOM 246 HB2 ARG A 14 5.430 -0.591 9.631 1.00 0.00 H ATOM 247 HB3 ARG A 14 5.990 0.069 11.162 1.00 0.00 H ATOM 248 HG2 ARG A 14 6.842 -2.169 10.844 1.00 0.00 H ATOM 249 HG3 ARG A 14 5.716 -2.132 12.202 1.00 0.00 H ATOM 250 HD2 ARG A 14 3.944 -3.002 10.744 1.00 0.00 H ATOM 251 HD3 ARG A 14 5.083 -3.053 9.399 1.00 0.00 H ATOM 252 HE ARG A 14 5.835 -5.039 10.203 1.00 0.00 H ATOM 253 HH11 ARG A 14 4.300 -3.347 12.862 1.00 0.00 H ATOM 254 HH12 ARG A 14 4.543 -4.642 13.982 1.00 0.00 H ATOM 255 HH21 ARG A 14 6.141 -6.740 11.685 1.00 0.00 H ATOM 256 HH22 ARG A 14 5.584 -6.569 13.315 1.00 0.00 H ATOM 257 N GLU A 15 4.237 0.808 13.213 1.00 0.00 N ATOM 258 CA GLU A 15 4.172 1.000 14.662 1.00 0.00 C ATOM 259 C GLU A 15 2.723 1.134 15.131 1.00 0.00 C ATOM 260 O GLU A 15 2.345 0.585 16.167 1.00 0.00 O ATOM 261 CB GLU A 15 4.978 2.244 15.063 1.00 0.00 C ATOM 262 CG GLU A 15 5.045 2.503 16.566 1.00 0.00 C ATOM 263 CD GLU A 15 3.731 2.997 17.150 1.00 0.00 C ATOM 264 OE1 GLU A 15 3.203 4.016 16.653 1.00 0.00 O ATOM 265 OE2 GLU A 15 3.236 2.372 18.112 1.00 0.00 O ATOM 266 H GLU A 15 4.632 1.513 12.658 1.00 0.00 H ATOM 267 HA GLU A 15 4.609 0.132 15.130 1.00 0.00 H ATOM 268 HB2 GLU A 15 5.988 2.133 14.698 1.00 0.00 H ATOM 269 HB3 GLU A 15 4.533 3.108 14.593 1.00 0.00 H ATOM 270 HG2 GLU A 15 5.314 1.583 17.063 1.00 0.00 H ATOM 271 HG3 GLU A 15 5.806 3.246 16.754 1.00 0.00 H ATOM 272 N ARG A 16 1.923 1.871 14.363 1.00 0.00 N ATOM 273 CA ARG A 16 0.519 2.091 14.695 1.00 0.00 C ATOM 274 C ARG A 16 -0.251 0.772 14.765 1.00 0.00 C ATOM 275 O ARG A 16 -0.944 0.501 15.747 1.00 0.00 O ATOM 276 CB ARG A 16 -0.125 3.013 13.655 1.00 0.00 C ATOM 277 CG ARG A 16 -1.564 3.388 13.973 1.00 0.00 C ATOM 278 CD ARG A 16 -1.655 4.266 15.216 1.00 0.00 C ATOM 279 NE ARG A 16 -0.894 5.510 15.077 1.00 0.00 N ATOM 280 CZ ARG A 16 -1.177 6.474 14.195 1.00 0.00 C ATOM 281 NH1 ARG A 16 -2.227 6.366 13.382 1.00 0.00 N ATOM 282 NH2 ARG A 16 -0.413 7.558 14.135 1.00 0.00 N ATOM 283 H ARG A 16 2.286 2.279 13.550 1.00 0.00 H ATOM 284 HA ARG A 16 0.479 2.570 15.660 1.00 0.00 H ATOM 285 HB2 ARG A 16 0.454 3.922 13.589 1.00 0.00 H ATOM 286 HB3 ARG A 16 -0.109 2.518 12.695 1.00 0.00 H ATOM 287 HG2 ARG A 16 -1.978 3.922 13.132 1.00 0.00 H ATOM 288 HG3 ARG A 16 -2.131 2.484 14.140 1.00 0.00 H ATOM 289 HD2 ARG A 16 -2.692 4.510 15.390 1.00 0.00 H ATOM 290 HD3 ARG A 16 -1.270 3.712 16.061 1.00 0.00 H ATOM 291 HE ARG A 16 -0.122 5.631 15.669 1.00 0.00 H ATOM 292 HH11 ARG A 16 -2.817 5.561 13.426 1.00 0.00 H ATOM 293 HH12 ARG A 16 -2.426 7.092 12.724 1.00 0.00 H ATOM 294 HH21 ARG A 16 0.372 7.651 14.748 1.00 0.00 H ATOM 295 HH22 ARG A 16 -0.621 8.282 13.476 1.00 0.00 H ATOM 296 N ASP A 17 -0.123 -0.039 13.717 1.00 0.00 N ATOM 297 CA ASP A 17 -0.808 -1.329 13.653 1.00 0.00 C ATOM 298 C ASP A 17 -0.147 -2.351 14.575 1.00 0.00 C ATOM 299 O ASP A 17 -0.764 -2.835 15.525 1.00 0.00 O ATOM 300 CB ASP A 17 -0.835 -1.852 12.212 1.00 0.00 C ATOM 301 CG ASP A 17 -1.662 -0.971 11.291 1.00 0.00 C ATOM 302 OD1 ASP A 17 -2.852 -0.755 11.525 1.00 0.00 O ATOM 303 H ASP A 17 0.447 0.239 12.969 1.00 0.00 H ATOM 304 HA ASP A 17 -1.824 -1.175 13.985 1.00 0.00 H ATOM 305 HB2 ASP A 17 0.176 -1.888 11.832 1.00 0.00 H ATOM 306 HB3 ASP A 17 -1.254 -2.847 12.202 1.00 0.00 H HETATM 307 N NH2 A 18 1.110 -2.680 14.296 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.539 -2.255 13.524 1.00 0.00 H HETATM 309 HN2 NH2 A 18 1.556 -3.335 14.874 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 4 HETATM 1 C ACE A 1 6.899 11.648 -2.824 1.00 0.00 C HETATM 2 O ACE A 1 6.596 11.317 -1.677 1.00 0.00 O HETATM 3 CH3 ACE A 1 7.605 12.835 -3.058 1.00 0.00 C HETATM 4 H1 ACE A 1 6.937 13.572 -3.483 1.00 0.00 H HETATM 5 H2 ACE A 1 8.415 12.643 -3.745 1.00 0.00 H HETATM 6 H3 ACE A 1 8.008 13.206 -2.129 1.00 0.00 H ATOM 7 N THR A 2 6.581 10.915 -3.891 1.00 0.00 N ATOM 8 CA THR A 2 5.846 9.655 -3.781 1.00 0.00 C ATOM 9 C THR A 2 6.630 8.615 -2.972 1.00 0.00 C ATOM 10 O THR A 2 6.051 7.876 -2.174 1.00 0.00 O ATOM 11 CB THR A 2 5.523 9.080 -5.176 1.00 0.00 C ATOM 12 OG1 THR A 2 4.699 10.000 -5.908 1.00 0.00 O ATOM 13 CG2 THR A 2 4.815 7.735 -5.068 1.00 0.00 C ATOM 14 H THR A 2 6.850 11.230 -4.780 1.00 0.00 H ATOM 15 HA THR A 2 4.913 9.858 -3.275 1.00 0.00 H ATOM 16 HB THR A 2 6.452 8.942 -5.708 1.00 0.00 H ATOM 17 HG1 THR A 2 3.878 10.148 -5.431 1.00 0.00 H ATOM 18 HG21 THR A 2 5.539 6.963 -4.855 1.00 0.00 H ATOM 19 HG22 THR A 2 4.317 7.513 -6.001 1.00 0.00 H ATOM 20 HG23 THR A 2 4.086 7.774 -4.272 1.00 0.00 H ATOM 21 N ARG A 3 7.946 8.569 -3.185 1.00 0.00 N ATOM 22 CA ARG A 3 8.813 7.626 -2.477 1.00 0.00 C ATOM 23 C ARG A 3 8.819 7.912 -0.978 1.00 0.00 C ATOM 24 O ARG A 3 8.605 7.012 -0.165 1.00 0.00 O ATOM 25 CB ARG A 3 10.250 7.685 -3.018 1.00 0.00 C ATOM 26 CG ARG A 3 10.425 7.116 -4.423 1.00 0.00 C ATOM 27 CD ARG A 3 9.732 7.964 -5.485 1.00 0.00 C ATOM 28 NE ARG A 3 10.156 9.367 -5.445 1.00 0.00 N ATOM 29 CZ ARG A 3 11.394 9.792 -5.716 1.00 0.00 C ATOM 30 NH1 ARG A 3 12.331 8.944 -6.134 1.00 0.00 N ATOM 31 NH2 ARG A 3 11.690 11.081 -5.588 1.00 0.00 N ATOM 32 H ARG A 3 8.342 9.187 -3.828 1.00 0.00 H ATOM 33 HA ARG A 3 8.420 6.635 -2.636 1.00 0.00 H ATOM 34 HB2 ARG A 3 10.570 8.716 -3.032 1.00 0.00 H ATOM 35 HB3 ARG A 3 10.892 7.132 -2.349 1.00 0.00 H ATOM 36 HG2 ARG A 3 11.479 7.071 -4.649 1.00 0.00 H ATOM 37 HG3 ARG A 3 10.011 6.119 -4.447 1.00 0.00 H ATOM 38 HD2 ARG A 3 9.967 7.557 -6.457 1.00 0.00 H ATOM 39 HD3 ARG A 3 8.666 7.914 -5.326 1.00 0.00 H ATOM 40 HE ARG A 3 9.485 10.030 -5.179 1.00 0.00 H ATOM 41 HH11 ARG A 3 12.117 7.975 -6.252 1.00 0.00 H ATOM 42 HH12 ARG A 3 13.254 9.277 -6.329 1.00 0.00 H ATOM 43 HH21 ARG A 3 10.989 11.728 -5.289 1.00 0.00 H ATOM 44 HH22 ARG A 3 12.615 11.404 -5.789 1.00 0.00 H ATOM 45 N GLN A 4 9.059 9.175 -0.622 1.00 0.00 N ATOM 46 CA GLN A 4 9.087 9.587 0.780 1.00 0.00 C ATOM 47 C GLN A 4 7.726 9.365 1.440 1.00 0.00 C ATOM 48 O GLN A 4 7.650 8.909 2.583 1.00 0.00 O ATOM 49 CB GLN A 4 9.493 11.062 0.898 1.00 0.00 C ATOM 50 CG GLN A 4 9.594 11.554 2.338 1.00 0.00 C ATOM 51 CD GLN A 4 10.670 10.852 3.163 1.00 0.00 C ATOM 52 OE1 GLN A 4 10.686 10.970 4.388 1.00 0.00 O ATOM 53 NE2 GLN A 4 11.592 10.142 2.509 1.00 0.00 N ATOM 54 H GLN A 4 9.217 9.845 -1.320 1.00 0.00 H ATOM 55 HA GLN A 4 9.821 8.980 1.286 1.00 0.00 H ATOM 56 HB2 GLN A 4 10.452 11.201 0.423 1.00 0.00 H ATOM 57 HB3 GLN A 4 8.759 11.667 0.388 1.00 0.00 H ATOM 58 HG2 GLN A 4 9.815 12.610 2.323 1.00 0.00 H ATOM 59 HG3 GLN A 4 8.639 11.400 2.818 1.00 0.00 H ATOM 60 HE21 GLN A 4 11.546 10.100 1.534 1.00 0.00 H ATOM 61 HE22 GLN A 4 12.284 9.690 3.036 1.00 0.00 H ATOM 62 N ALA A 5 6.659 9.690 0.710 1.00 0.00 N ATOM 63 CA ALA A 5 5.296 9.532 1.211 1.00 0.00 C ATOM 64 C ALA A 5 4.979 8.071 1.538 1.00 0.00 C ATOM 65 O ALA A 5 4.305 7.788 2.531 1.00 0.00 O ATOM 66 CB ALA A 5 4.299 10.082 0.203 1.00 0.00 C ATOM 67 H ALA A 5 6.793 10.046 -0.193 1.00 0.00 H ATOM 68 HA ALA A 5 5.210 10.114 2.116 1.00 0.00 H ATOM 69 HB1 ALA A 5 4.464 9.616 -0.757 1.00 0.00 H ATOM 70 HB2 ALA A 5 4.432 11.150 0.112 1.00 0.00 H ATOM 71 HB3 ALA A 5 3.295 9.872 0.538 1.00 0.00 H ATOM 72 N LYS A 6 5.468 7.149 0.704 1.00 0.00 N ATOM 73 CA LYS A 6 5.234 5.719 0.916 1.00 0.00 C ATOM 74 C LYS A 6 5.912 5.230 2.192 1.00 0.00 C ATOM 75 O LYS A 6 5.275 4.598 3.036 1.00 0.00 O ATOM 76 CB LYS A 6 5.735 4.897 -0.277 1.00 0.00 C ATOM 77 CG LYS A 6 5.722 3.396 -0.021 1.00 0.00 C ATOM 78 CD LYS A 6 4.321 2.899 0.307 1.00 0.00 C ATOM 79 CE LYS A 6 4.349 1.570 1.048 1.00 0.00 C ATOM 80 NZ LYS A 6 4.881 1.707 2.407 1.00 0.00 N ATOM 81 H LYS A 6 6.001 7.437 -0.066 1.00 0.00 H ATOM 82 HA LYS A 6 4.171 5.573 1.016 1.00 0.00 H ATOM 83 HB2 LYS A 6 5.106 5.102 -1.130 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.748 5.194 -0.505 1.00 0.00 H ATOM 85 HG2 LYS A 6 6.076 2.887 -0.905 1.00 0.00 H ATOM 86 HG3 LYS A 6 6.378 3.175 0.809 1.00 0.00 H ATOM 87 HD2 LYS A 6 3.827 3.631 0.926 1.00 0.00 H ATOM 88 HD3 LYS A 6 3.773 2.775 -0.614 1.00 0.00 H ATOM 89 HE2 LYS A 6 3.343 1.184 1.104 1.00 0.00 H ATOM 90 HE3 LYS A 6 4.969 0.877 0.497 1.00 0.00 H ATOM 91 HZ1 LYS A 6 5.752 2.146 2.511 1.00 0.00 H ATOM 92 N ARG A 7 7.206 5.525 2.325 1.00 0.00 N ATOM 93 CA ARG A 7 7.968 5.113 3.503 1.00 0.00 C ATOM 94 C ARG A 7 7.325 5.638 4.781 1.00 0.00 C ATOM 95 O ARG A 7 7.170 4.900 5.752 1.00 0.00 O ATOM 96 CB ARG A 7 9.420 5.595 3.417 1.00 0.00 C ATOM 97 CG ARG A 7 10.285 4.803 2.447 1.00 0.00 C ATOM 98 CD ARG A 7 10.267 3.314 2.769 1.00 0.00 C ATOM 99 NE ARG A 7 11.530 2.659 2.427 1.00 0.00 N ATOM 100 CZ ARG A 7 12.669 2.826 3.109 1.00 0.00 C ATOM 101 NH1 ARG A 7 12.702 3.601 4.193 1.00 0.00 N ATOM 102 NH2 ARG A 7 13.775 2.205 2.715 1.00 0.00 N ATOM 103 H ARG A 7 7.655 6.032 1.616 1.00 0.00 H ATOM 104 HA ARG A 7 7.961 4.034 3.534 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.424 6.628 3.102 1.00 0.00 H ATOM 106 HB3 ARG A 7 9.867 5.528 4.398 1.00 0.00 H ATOM 107 HG2 ARG A 7 9.910 4.948 1.445 1.00 0.00 H ATOM 108 HG3 ARG A 7 11.301 5.163 2.509 1.00 0.00 H ATOM 109 HD2 ARG A 7 10.084 3.188 3.826 1.00 0.00 H ATOM 110 HD3 ARG A 7 9.468 2.849 2.209 1.00 0.00 H ATOM 111 HE ARG A 7 11.534 2.069 1.643 1.00 0.00 H ATOM 112 HH11 ARG A 7 11.873 4.064 4.507 1.00 0.00 H ATOM 113 HH12 ARG A 7 13.559 3.719 4.697 1.00 0.00 H ATOM 114 HH21 ARG A 7 13.757 1.613 1.910 1.00 0.00 H ATOM 115 HH22 ARG A 7 14.628 2.329 3.225 1.00 0.00 H ATOM 116 N ASN A 8 6.947 6.915 4.771 1.00 0.00 N ATOM 117 CA ASN A 8 6.315 7.538 5.931 1.00 0.00 C ATOM 118 C ASN A 8 4.968 6.881 6.252 1.00 0.00 C ATOM 119 O ASN A 8 4.624 6.708 7.421 1.00 0.00 O ATOM 120 CB ASN A 8 6.141 9.045 5.699 1.00 0.00 C ATOM 121 CG ASN A 8 5.539 9.763 6.897 1.00 0.00 C ATOM 122 OD1 ASN A 8 4.392 9.519 7.273 1.00 0.00 O ATOM 123 ND2 ASN A 8 6.316 10.654 7.507 1.00 0.00 N ATOM 124 H ASN A 8 7.094 7.450 3.963 1.00 0.00 H ATOM 125 HA ASN A 8 6.973 7.394 6.774 1.00 0.00 H ATOM 126 HB2 ASN A 8 7.105 9.482 5.492 1.00 0.00 H ATOM 127 HB3 ASN A 8 5.494 9.199 4.847 1.00 0.00 H ATOM 128 HD21 ASN A 8 7.221 10.798 7.158 1.00 0.00 H ATOM 129 HD22 ASN A 8 5.952 11.132 8.282 1.00 0.00 H ATOM 130 N ARG A 9 4.210 6.516 5.213 1.00 0.00 N ATOM 131 CA ARG A 9 2.902 5.880 5.400 1.00 0.00 C ATOM 132 C ARG A 9 3.039 4.471 5.988 1.00 0.00 C ATOM 133 O ARG A 9 2.386 4.143 6.980 1.00 0.00 O ATOM 134 CB ARG A 9 2.134 5.820 4.072 1.00 0.00 C ATOM 135 CG ARG A 9 0.726 5.249 4.204 1.00 0.00 C ATOM 136 CD ARG A 9 -0.145 6.117 5.103 1.00 0.00 C ATOM 137 NE ARG A 9 -1.442 5.500 5.394 1.00 0.00 N ATOM 138 CZ ARG A 9 -2.426 5.339 4.500 1.00 0.00 C ATOM 139 NH1 ARG A 9 -2.293 5.782 3.251 1.00 0.00 N ATOM 140 NH2 ARG A 9 -3.556 4.741 4.867 1.00 0.00 N ATOM 141 H ARG A 9 4.536 6.677 4.304 1.00 0.00 H ATOM 142 HA ARG A 9 2.343 6.488 6.095 1.00 0.00 H ATOM 143 HB2 ARG A 9 2.058 6.819 3.668 1.00 0.00 H ATOM 144 HB3 ARG A 9 2.686 5.203 3.376 1.00 0.00 H ATOM 145 HG2 ARG A 9 0.276 5.196 3.224 1.00 0.00 H ATOM 146 HG3 ARG A 9 0.789 4.257 4.627 1.00 0.00 H ATOM 147 HD2 ARG A 9 0.376 6.285 6.032 1.00 0.00 H ATOM 148 HD3 ARG A 9 -0.312 7.065 4.611 1.00 0.00 H ATOM 149 HE ARG A 9 -1.587 5.178 6.309 1.00 0.00 H ATOM 150 HH11 ARG A 9 -1.452 6.242 2.969 1.00 0.00 H ATOM 151 HH12 ARG A 9 -3.036 5.654 2.593 1.00 0.00 H ATOM 152 HH21 ARG A 9 -3.668 4.414 5.805 1.00 0.00 H ATOM 153 HH22 ARG A 9 -4.296 4.619 4.206 1.00 0.00 H ATOM 154 N ASP A 10 3.887 3.644 5.369 1.00 0.00 N ATOM 155 CA ASP A 10 4.104 2.270 5.831 1.00 0.00 C ATOM 156 C ASP A 10 4.767 2.235 7.210 1.00 0.00 C ATOM 157 O ASP A 10 4.342 1.485 8.087 1.00 0.00 O ATOM 158 CB ASP A 10 4.959 1.489 4.825 1.00 0.00 C ATOM 159 CG ASP A 10 4.252 1.265 3.498 1.00 0.00 C ATOM 160 OD1 ASP A 10 3.160 0.695 3.456 1.00 0.00 O ATOM 161 H ASP A 10 4.377 3.965 4.583 1.00 0.00 H ATOM 162 HA ASP A 10 3.138 1.796 5.904 1.00 0.00 H ATOM 163 HB2 ASP A 10 5.870 2.038 4.636 1.00 0.00 H ATOM 164 HB3 ASP A 10 5.207 0.526 5.245 1.00 0.00 H ATOM 165 N ARG A 11 5.812 3.047 7.388 1.00 0.00 N ATOM 166 CA ARG A 11 6.543 3.109 8.657 1.00 0.00 C ATOM 167 C ARG A 11 5.654 3.597 9.796 1.00 0.00 C ATOM 168 O ARG A 11 5.631 3.004 10.875 1.00 0.00 O ATOM 169 CB ARG A 11 7.755 4.036 8.528 1.00 0.00 C ATOM 170 CG ARG A 11 8.882 3.480 7.669 1.00 0.00 C ATOM 171 CD ARG A 11 9.902 4.559 7.324 1.00 0.00 C ATOM 172 NE ARG A 11 10.296 5.353 8.492 1.00 0.00 N ATOM 173 CZ ARG A 11 10.994 4.882 9.531 1.00 0.00 C ATOM 174 NH1 ARG A 11 11.435 3.628 9.544 1.00 0.00 N ATOM 175 NH2 ARG A 11 11.265 5.681 10.559 1.00 0.00 N ATOM 176 H ARG A 11 6.100 3.618 6.647 1.00 0.00 H ATOM 177 HA ARG A 11 6.885 2.113 8.889 1.00 0.00 H ATOM 178 HB2 ARG A 11 7.431 4.970 8.093 1.00 0.00 H ATOM 179 HB3 ARG A 11 8.148 4.229 9.515 1.00 0.00 H ATOM 180 HG2 ARG A 11 9.378 2.688 8.209 1.00 0.00 H ATOM 181 HG3 ARG A 11 8.464 3.086 6.753 1.00 0.00 H ATOM 182 HD2 ARG A 11 10.781 4.087 6.912 1.00 0.00 H ATOM 183 HD3 ARG A 11 9.472 5.218 6.584 1.00 0.00 H ATOM 184 HE ARG A 11 10.010 6.291 8.511 1.00 0.00 H ATOM 185 HH11 ARG A 11 11.250 3.021 8.772 1.00 0.00 H ATOM 186 HH12 ARG A 11 11.954 3.289 10.329 1.00 0.00 H ATOM 187 HH21 ARG A 11 10.947 6.629 10.553 1.00 0.00 H ATOM 188 HH22 ARG A 11 11.786 5.334 11.338 1.00 0.00 H ATOM 189 N ARG A 12 4.933 4.683 9.553 1.00 0.00 N ATOM 190 CA ARG A 12 4.053 5.251 10.568 1.00 0.00 C ATOM 191 C ARG A 12 3.052 4.212 11.074 1.00 0.00 C ATOM 192 O ARG A 12 2.923 4.003 12.284 1.00 0.00 O ATOM 193 CB ARG A 12 3.313 6.470 10.007 1.00 0.00 C ATOM 194 CG ARG A 12 2.339 7.102 10.986 1.00 0.00 C ATOM 195 CD ARG A 12 1.635 8.304 10.371 1.00 0.00 C ATOM 196 NE ARG A 12 0.631 8.880 11.267 1.00 0.00 N ATOM 197 CZ ARG A 12 -0.483 8.249 11.655 1.00 0.00 C ATOM 198 NH1 ARG A 12 -0.762 7.026 11.210 1.00 0.00 N ATOM 199 NH2 ARG A 12 -1.329 8.853 12.486 1.00 0.00 N ATOM 200 H ARG A 12 4.999 5.115 8.675 1.00 0.00 H ATOM 201 HA ARG A 12 4.669 5.569 11.397 1.00 0.00 H ATOM 202 HB2 ARG A 12 4.039 7.218 9.725 1.00 0.00 H ATOM 203 HB3 ARG A 12 2.762 6.169 9.128 1.00 0.00 H ATOM 204 HG2 ARG A 12 1.599 6.368 11.268 1.00 0.00 H ATOM 205 HG3 ARG A 12 2.881 7.424 11.864 1.00 0.00 H ATOM 206 HD2 ARG A 12 2.373 9.059 10.146 1.00 0.00 H ATOM 207 HD3 ARG A 12 1.151 7.992 9.457 1.00 0.00 H ATOM 208 HE ARG A 12 0.797 9.785 11.603 1.00 0.00 H ATOM 209 HH11 ARG A 12 -0.140 6.566 10.577 1.00 0.00 H ATOM 210 HH12 ARG A 12 -1.596 6.563 11.510 1.00 0.00 H ATOM 211 HH21 ARG A 12 -1.131 9.776 12.818 1.00 0.00 H ATOM 212 HH22 ARG A 12 -2.163 8.385 12.779 1.00 0.00 H ATOM 213 N LYS A 13 2.341 3.565 10.147 1.00 0.00 N ATOM 214 CA LYS A 13 1.347 2.558 10.519 1.00 0.00 C ATOM 215 C LYS A 13 2.005 1.332 11.153 1.00 0.00 C ATOM 216 O LYS A 13 1.495 0.801 12.135 1.00 0.00 O ATOM 217 CB LYS A 13 0.504 2.131 9.310 1.00 0.00 C ATOM 218 CG LYS A 13 -0.978 1.952 9.633 1.00 0.00 C ATOM 219 CD LYS A 13 -1.199 1.053 10.845 1.00 0.00 C ATOM 220 CE LYS A 13 -0.813 -0.392 10.563 1.00 0.00 C ATOM 221 NZ LYS A 13 -0.407 -1.093 11.778 1.00 0.00 N ATOM 222 H LYS A 13 2.483 3.773 9.199 1.00 0.00 H ATOM 223 HA LYS A 13 0.695 3.008 11.250 1.00 0.00 H ATOM 224 HB2 LYS A 13 0.596 2.883 8.539 1.00 0.00 H ATOM 225 HB3 LYS A 13 0.884 1.193 8.932 1.00 0.00 H ATOM 226 HG2 LYS A 13 -1.410 2.921 9.837 1.00 0.00 H ATOM 227 HG3 LYS A 13 -1.470 1.514 8.777 1.00 0.00 H ATOM 228 HD2 LYS A 13 -0.603 1.419 11.665 1.00 0.00 H ATOM 229 HD3 LYS A 13 -2.244 1.089 11.117 1.00 0.00 H ATOM 230 HE2 LYS A 13 -1.664 -0.901 10.134 1.00 0.00 H ATOM 231 HE3 LYS A 13 0.005 -0.403 9.859 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -0.824 -0.817 12.620 1.00 0.00 H ATOM 233 N ARG A 14 3.137 0.886 10.594 1.00 0.00 N ATOM 234 CA ARG A 14 3.850 -0.283 11.126 1.00 0.00 C ATOM 235 C ARG A 14 4.002 -0.156 12.644 1.00 0.00 C ATOM 236 O ARG A 14 3.677 -1.081 13.398 1.00 0.00 O ATOM 237 CB ARG A 14 5.231 -0.405 10.469 1.00 0.00 C ATOM 238 CG ARG A 14 5.783 -1.825 10.418 1.00 0.00 C ATOM 239 CD ARG A 14 5.904 -2.456 11.799 1.00 0.00 C ATOM 240 NE ARG A 14 6.805 -1.712 12.679 1.00 0.00 N ATOM 241 CZ ARG A 14 7.144 -2.114 13.907 1.00 0.00 C ATOM 242 NH1 ARG A 14 6.676 -3.261 14.395 1.00 0.00 N ATOM 243 NH2 ARG A 14 7.959 -1.369 14.647 1.00 0.00 N ATOM 244 H ARG A 14 3.501 1.352 9.811 1.00 0.00 H ATOM 245 HA ARG A 14 3.269 -1.166 10.901 1.00 0.00 H ATOM 246 HB2 ARG A 14 5.166 -0.036 9.457 1.00 0.00 H ATOM 247 HB3 ARG A 14 5.930 0.209 11.017 1.00 0.00 H ATOM 248 HG2 ARG A 14 5.122 -2.432 9.819 1.00 0.00 H ATOM 249 HG3 ARG A 14 6.761 -1.800 9.958 1.00 0.00 H ATOM 250 HD2 ARG A 14 4.926 -2.490 12.251 1.00 0.00 H ATOM 251 HD3 ARG A 14 6.279 -3.463 11.686 1.00 0.00 H ATOM 252 HE ARG A 14 7.173 -0.867 12.343 1.00 0.00 H ATOM 253 HH11 ARG A 14 6.064 -3.829 13.844 1.00 0.00 H ATOM 254 HH12 ARG A 14 6.937 -3.558 15.314 1.00 0.00 H ATOM 255 HH21 ARG A 14 8.316 -0.507 14.285 1.00 0.00 H ATOM 256 HH22 ARG A 14 8.215 -1.669 15.566 1.00 0.00 H ATOM 257 N GLU A 15 4.470 1.015 13.079 1.00 0.00 N ATOM 258 CA GLU A 15 4.646 1.309 14.498 1.00 0.00 C ATOM 259 C GLU A 15 3.305 1.228 15.225 1.00 0.00 C ATOM 260 O GLU A 15 3.213 0.674 16.323 1.00 0.00 O ATOM 261 CB GLU A 15 5.265 2.698 14.666 1.00 0.00 C ATOM 262 CG GLU A 15 6.671 2.798 14.092 1.00 0.00 C ATOM 263 CD GLU A 15 7.176 4.231 13.957 1.00 0.00 C ATOM 264 OE1 GLU A 15 6.409 5.176 14.255 1.00 0.00 O ATOM 265 OE2 GLU A 15 8.340 4.408 13.544 1.00 0.00 O ATOM 266 H GLU A 15 4.685 1.711 12.422 1.00 0.00 H ATOM 267 HA GLU A 15 5.314 0.570 14.912 1.00 0.00 H ATOM 268 HB2 GLU A 15 4.640 3.422 14.163 1.00 0.00 H ATOM 269 HB3 GLU A 15 5.308 2.939 15.718 1.00 0.00 H ATOM 270 HG2 GLU A 15 7.344 2.257 14.740 1.00 0.00 H ATOM 271 HG3 GLU A 15 6.676 2.337 13.115 1.00 0.00 H ATOM 272 N ARG A 16 2.266 1.774 14.591 1.00 0.00 N ATOM 273 CA ARG A 16 0.913 1.761 15.152 1.00 0.00 C ATOM 274 C ARG A 16 0.380 0.328 15.293 1.00 0.00 C ATOM 275 O ARG A 16 -0.349 0.024 16.239 1.00 0.00 O ATOM 276 CB ARG A 16 -0.035 2.579 14.267 1.00 0.00 C ATOM 277 CG ARG A 16 0.376 4.036 14.100 1.00 0.00 C ATOM 278 CD ARG A 16 0.159 4.836 15.377 1.00 0.00 C ATOM 279 NE ARG A 16 -1.222 4.746 15.854 1.00 0.00 N ATOM 280 CZ ARG A 16 -2.285 5.188 15.175 1.00 0.00 C ATOM 281 NH1 ARG A 16 -2.134 5.856 14.033 1.00 0.00 N ATOM 282 NH2 ARG A 16 -3.506 4.984 15.655 1.00 0.00 N ATOM 283 H ARG A 16 2.411 2.190 13.714 1.00 0.00 H ATOM 284 HA ARG A 16 0.957 2.215 16.130 1.00 0.00 H ATOM 285 HB2 ARG A 16 -0.075 2.126 13.289 1.00 0.00 H ATOM 286 HB3 ARG A 16 -1.023 2.555 14.704 1.00 0.00 H ATOM 287 HG2 ARG A 16 1.422 4.075 13.840 1.00 0.00 H ATOM 288 HG3 ARG A 16 -0.210 4.473 13.305 1.00 0.00 H ATOM 289 HD2 ARG A 16 0.819 4.457 16.143 1.00 0.00 H ATOM 290 HD3 ARG A 16 0.394 5.872 15.181 1.00 0.00 H ATOM 291 HE ARG A 16 -1.369 4.306 16.718 1.00 0.00 H ATOM 292 HH11 ARG A 16 -1.220 6.036 13.673 1.00 0.00 H ATOM 293 HH12 ARG A 16 -2.939 6.178 13.533 1.00 0.00 H ATOM 294 HH21 ARG A 16 -3.629 4.502 16.522 1.00 0.00 H ATOM 295 HH22 ARG A 16 -4.303 5.313 15.150 1.00 0.00 H ATOM 296 N ASP A 17 0.746 -0.546 14.345 1.00 0.00 N ATOM 297 CA ASP A 17 0.303 -1.945 14.363 1.00 0.00 C ATOM 298 C ASP A 17 0.792 -2.637 15.633 1.00 0.00 C ATOM 299 O ASP A 17 0.017 -3.276 16.343 1.00 0.00 O ATOM 300 CB ASP A 17 0.831 -2.714 13.138 1.00 0.00 C ATOM 301 CG ASP A 17 0.496 -2.077 11.792 1.00 0.00 C ATOM 302 OD1 ASP A 17 1.053 -2.475 10.768 1.00 0.00 O ATOM 303 H ASP A 17 1.327 -0.242 13.618 1.00 0.00 H ATOM 304 HA ASP A 17 -0.777 -1.955 14.352 1.00 0.00 H ATOM 305 HB2 ASP A 17 1.905 -2.787 13.213 1.00 0.00 H ATOM 306 HB3 ASP A 17 0.413 -3.711 13.151 1.00 0.00 H HETATM 307 N NH2 A 18 2.087 -2.506 15.915 1.00 0.00 N HETATM 308 HN1 NH2 A 18 2.646 -1.980 15.301 1.00 0.00 H HETATM 309 HN2 NH2 A 18 2.430 -2.939 16.724 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 5 HETATM 1 C ACE A 1 6.391 11.502 -2.779 1.00 0.00 C HETATM 2 O ACE A 1 6.147 11.256 -1.596 1.00 0.00 O HETATM 3 CH3 ACE A 1 7.049 12.684 -3.138 1.00 0.00 C HETATM 4 H1 ACE A 1 7.973 12.440 -3.645 1.00 0.00 H HETATM 5 H2 ACE A 1 7.261 13.263 -2.255 1.00 0.00 H HETATM 6 H3 ACE A 1 6.418 13.261 -3.797 1.00 0.00 H ATOM 7 N THR A 2 6.051 10.680 -3.769 1.00 0.00 N ATOM 8 CA THR A 2 5.358 9.419 -3.523 1.00 0.00 C ATOM 9 C THR A 2 6.231 8.443 -2.730 1.00 0.00 C ATOM 10 O THR A 2 5.741 7.762 -1.828 1.00 0.00 O ATOM 11 CB THR A 2 4.899 8.758 -4.842 1.00 0.00 C ATOM 12 OG1 THR A 2 4.126 7.585 -4.563 1.00 0.00 O ATOM 13 CG2 THR A 2 6.086 8.389 -5.722 1.00 0.00 C ATOM 14 H THR A 2 6.269 10.930 -4.691 1.00 0.00 H ATOM 15 HA THR A 2 4.478 9.641 -2.939 1.00 0.00 H ATOM 16 HB THR A 2 4.284 9.467 -5.379 1.00 0.00 H ATOM 17 HG1 THR A 2 3.305 7.618 -5.058 1.00 0.00 H ATOM 18 HG21 THR A 2 5.731 8.093 -6.698 1.00 0.00 H ATOM 19 HG22 THR A 2 6.626 7.569 -5.272 1.00 0.00 H ATOM 20 HG23 THR A 2 6.741 9.241 -5.822 1.00 0.00 H ATOM 21 N ARG A 3 7.523 8.383 -3.066 1.00 0.00 N ATOM 22 CA ARG A 3 8.458 7.492 -2.376 1.00 0.00 C ATOM 23 C ARG A 3 8.647 7.916 -0.918 1.00 0.00 C ATOM 24 O ARG A 3 8.693 7.073 -0.022 1.00 0.00 O ATOM 25 CB ARG A 3 9.817 7.476 -3.083 1.00 0.00 C ATOM 26 CG ARG A 3 10.778 6.442 -2.514 1.00 0.00 C ATOM 27 CD ARG A 3 12.180 6.589 -3.083 1.00 0.00 C ATOM 28 NE ARG A 3 12.844 7.808 -2.615 1.00 0.00 N ATOM 29 CZ ARG A 3 14.111 8.124 -2.900 1.00 0.00 C ATOM 30 NH1 ARG A 3 14.854 7.317 -3.652 1.00 0.00 N ATOM 31 NH2 ARG A 3 14.636 9.251 -2.427 1.00 0.00 N ATOM 32 H ARG A 3 7.854 8.954 -3.789 1.00 0.00 H ATOM 33 HA ARG A 3 8.041 6.498 -2.396 1.00 0.00 H ATOM 34 HB2 ARG A 3 9.664 7.259 -4.130 1.00 0.00 H ATOM 35 HB3 ARG A 3 10.272 8.451 -2.989 1.00 0.00 H ATOM 36 HG2 ARG A 3 10.825 6.564 -1.442 1.00 0.00 H ATOM 37 HG3 ARG A 3 10.406 5.455 -2.748 1.00 0.00 H ATOM 38 HD2 ARG A 3 12.767 5.734 -2.783 1.00 0.00 H ATOM 39 HD3 ARG A 3 12.115 6.618 -4.161 1.00 0.00 H ATOM 40 HE ARG A 3 12.321 8.421 -2.057 1.00 0.00 H ATOM 41 HH11 ARG A 3 14.468 6.466 -4.007 1.00 0.00 H ATOM 42 HH12 ARG A 3 15.802 7.560 -3.862 1.00 0.00 H ATOM 43 HH21 ARG A 3 14.084 9.861 -1.859 1.00 0.00 H ATOM 44 HH22 ARG A 3 15.585 9.490 -2.640 1.00 0.00 H ATOM 45 N GLN A 4 8.759 9.227 -0.695 1.00 0.00 N ATOM 46 CA GLN A 4 8.948 9.771 0.649 1.00 0.00 C ATOM 47 C GLN A 4 7.730 9.496 1.523 1.00 0.00 C ATOM 48 O GLN A 4 7.851 8.928 2.608 1.00 0.00 O ATOM 49 CB GLN A 4 9.217 11.280 0.573 1.00 0.00 C ATOM 50 CG GLN A 4 9.576 11.923 1.907 1.00 0.00 C ATOM 51 CD GLN A 4 8.373 12.484 2.649 1.00 0.00 C ATOM 52 OE1 GLN A 4 7.489 11.747 3.083 1.00 0.00 O ATOM 53 NE2 GLN A 4 8.331 13.805 2.792 1.00 0.00 N ATOM 54 H GLN A 4 8.715 9.844 -1.455 1.00 0.00 H ATOM 55 HA GLN A 4 9.805 9.284 1.085 1.00 0.00 H ATOM 56 HB2 GLN A 4 10.030 11.454 -0.115 1.00 0.00 H ATOM 57 HB3 GLN A 4 8.329 11.768 0.194 1.00 0.00 H ATOM 58 HG2 GLN A 4 10.043 11.177 2.534 1.00 0.00 H ATOM 59 HG3 GLN A 4 10.275 12.726 1.727 1.00 0.00 H ATOM 60 HE21 GLN A 4 9.067 14.336 2.420 1.00 0.00 H ATOM 61 HE22 GLN A 4 7.566 14.195 3.264 1.00 0.00 H ATOM 62 N ALA A 5 6.559 9.901 1.039 1.00 0.00 N ATOM 63 CA ALA A 5 5.309 9.702 1.771 1.00 0.00 C ATOM 64 C ALA A 5 5.029 8.221 2.002 1.00 0.00 C ATOM 65 O ALA A 5 4.592 7.833 3.084 1.00 0.00 O ATOM 66 CB ALA A 5 4.155 10.358 1.026 1.00 0.00 C ATOM 67 H ALA A 5 6.535 10.343 0.164 1.00 0.00 H ATOM 68 HA ALA A 5 5.408 10.186 2.735 1.00 0.00 H ATOM 69 HB1 ALA A 5 4.072 9.927 0.039 1.00 0.00 H ATOM 70 HB2 ALA A 5 4.341 11.419 0.940 1.00 0.00 H ATOM 71 HB3 ALA A 5 3.236 10.195 1.569 1.00 0.00 H ATOM 72 N LYS A 6 5.294 7.394 0.990 1.00 0.00 N ATOM 73 CA LYS A 6 5.076 5.954 1.110 1.00 0.00 C ATOM 74 C LYS A 6 5.945 5.386 2.230 1.00 0.00 C ATOM 75 O LYS A 6 5.455 4.656 3.093 1.00 0.00 O ATOM 76 CB LYS A 6 5.360 5.241 -0.218 1.00 0.00 C ATOM 77 CG LYS A 6 5.147 3.737 -0.154 1.00 0.00 C ATOM 78 CD LYS A 6 6.369 3.018 0.398 1.00 0.00 C ATOM 79 CE LYS A 6 5.987 1.760 1.162 1.00 0.00 C ATOM 80 NZ LYS A 6 6.287 1.876 2.591 1.00 0.00 N ATOM 81 H LYS A 6 5.652 7.759 0.153 1.00 0.00 H ATOM 82 HA LYS A 6 4.041 5.803 1.373 1.00 0.00 H ATOM 83 HB2 LYS A 6 4.705 5.644 -0.976 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.385 5.428 -0.502 1.00 0.00 H ATOM 85 HG2 LYS A 6 4.302 3.531 0.486 1.00 0.00 H ATOM 86 HG3 LYS A 6 4.945 3.372 -1.149 1.00 0.00 H ATOM 87 HD2 LYS A 6 7.010 2.742 -0.426 1.00 0.00 H ATOM 88 HD3 LYS A 6 6.901 3.683 1.060 1.00 0.00 H ATOM 89 HE2 LYS A 6 4.928 1.585 1.038 1.00 0.00 H ATOM 90 HE3 LYS A 6 6.539 0.927 0.755 1.00 0.00 H ATOM 91 HZ1 LYS A 6 7.127 2.316 2.841 1.00 0.00 H ATOM 92 N ARG A 7 7.228 5.755 2.227 1.00 0.00 N ATOM 93 CA ARG A 7 8.159 5.314 3.268 1.00 0.00 C ATOM 94 C ARG A 7 7.646 5.755 4.636 1.00 0.00 C ATOM 95 O ARG A 7 7.649 4.983 5.596 1.00 0.00 O ATOM 96 CB ARG A 7 9.560 5.890 3.026 1.00 0.00 C ATOM 97 CG ARG A 7 10.423 5.059 2.089 1.00 0.00 C ATOM 98 CD ARG A 7 11.701 5.798 1.713 1.00 0.00 C ATOM 99 NE ARG A 7 12.756 4.900 1.230 1.00 0.00 N ATOM 100 CZ ARG A 7 12.686 4.170 0.110 1.00 0.00 C ATOM 101 NH1 ARG A 7 11.606 4.208 -0.667 1.00 0.00 N ATOM 102 NH2 ARG A 7 13.710 3.394 -0.234 1.00 0.00 N ATOM 103 H ARG A 7 7.547 6.360 1.526 1.00 0.00 H ATOM 104 HA ARG A 7 8.205 4.236 3.241 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.460 6.879 2.603 1.00 0.00 H ATOM 106 HB3 ARG A 7 10.070 5.968 3.975 1.00 0.00 H ATOM 107 HG2 ARG A 7 10.685 4.134 2.581 1.00 0.00 H ATOM 108 HG3 ARG A 7 9.862 4.847 1.192 1.00 0.00 H ATOM 109 HD2 ARG A 7 11.470 6.510 0.935 1.00 0.00 H ATOM 110 HD3 ARG A 7 12.064 6.327 2.583 1.00 0.00 H ATOM 111 HE ARG A 7 13.569 4.838 1.773 1.00 0.00 H ATOM 112 HH11 ARG A 7 10.829 4.786 -0.422 1.00 0.00 H ATOM 113 HH12 ARG A 7 11.572 3.656 -1.501 1.00 0.00 H ATOM 114 HH21 ARG A 7 14.526 3.358 0.343 1.00 0.00 H ATOM 115 HH22 ARG A 7 13.665 2.847 -1.071 1.00 0.00 H ATOM 116 N ASN A 8 7.186 7.005 4.695 1.00 0.00 N ATOM 117 CA ASN A 8 6.637 7.588 5.915 1.00 0.00 C ATOM 118 C ASN A 8 5.407 6.812 6.392 1.00 0.00 C ATOM 119 O ASN A 8 5.230 6.593 7.592 1.00 0.00 O ATOM 120 CB ASN A 8 6.276 9.059 5.665 1.00 0.00 C ATOM 121 CG ASN A 8 7.470 9.986 5.808 1.00 0.00 C ATOM 122 OD1 ASN A 8 8.465 9.852 5.096 1.00 0.00 O ATOM 123 ND2 ASN A 8 7.377 10.935 6.735 1.00 0.00 N ATOM 124 H ASN A 8 7.203 7.552 3.881 1.00 0.00 H ATOM 125 HA ASN A 8 7.399 7.538 6.677 1.00 0.00 H ATOM 126 HB2 ASN A 8 5.892 9.159 4.660 1.00 0.00 H ATOM 127 HB3 ASN A 8 5.514 9.367 6.360 1.00 0.00 H ATOM 128 HD21 ASN A 8 6.557 10.985 7.269 1.00 0.00 H ATOM 129 HD22 ASN A 8 8.135 11.547 6.846 1.00 0.00 H ATOM 130 N ARG A 9 4.564 6.404 5.442 1.00 0.00 N ATOM 131 CA ARG A 9 3.345 5.655 5.746 1.00 0.00 C ATOM 132 C ARG A 9 3.644 4.236 6.233 1.00 0.00 C ATOM 133 O ARG A 9 3.023 3.764 7.186 1.00 0.00 O ATOM 134 CB ARG A 9 2.441 5.583 4.513 1.00 0.00 C ATOM 135 CG ARG A 9 1.820 6.913 4.120 1.00 0.00 C ATOM 136 CD ARG A 9 1.004 6.783 2.841 1.00 0.00 C ATOM 137 NE ARG A 9 -0.078 5.806 2.974 1.00 0.00 N ATOM 138 CZ ARG A 9 -1.158 5.978 3.742 1.00 0.00 C ATOM 139 NH1 ARG A 9 -1.344 7.115 4.406 1.00 0.00 N ATOM 140 NH2 ARG A 9 -2.064 5.012 3.834 1.00 0.00 N ATOM 141 H ARG A 9 4.768 6.615 4.507 1.00 0.00 H ATOM 142 HA ARG A 9 2.822 6.184 6.528 1.00 0.00 H ATOM 143 HB2 ARG A 9 3.024 5.224 3.677 1.00 0.00 H ATOM 144 HB3 ARG A 9 1.643 4.883 4.708 1.00 0.00 H ATOM 145 HG2 ARG A 9 1.173 7.247 4.918 1.00 0.00 H ATOM 146 HG3 ARG A 9 2.605 7.638 3.964 1.00 0.00 H ATOM 147 HD2 ARG A 9 0.578 7.746 2.601 1.00 0.00 H ATOM 148 HD3 ARG A 9 1.660 6.472 2.042 1.00 0.00 H ATOM 149 HE ARG A 9 0.014 4.966 2.476 1.00 0.00 H ATOM 150 HH11 ARG A 9 -0.674 7.854 4.335 1.00 0.00 H ATOM 151 HH12 ARG A 9 -2.157 7.233 4.978 1.00 0.00 H ATOM 152 HH21 ARG A 9 -1.937 4.157 3.330 1.00 0.00 H ATOM 153 HH22 ARG A 9 -2.874 5.138 4.409 1.00 0.00 H ATOM 154 N ASP A 10 4.580 3.553 5.567 1.00 0.00 N ATOM 155 CA ASP A 10 4.933 2.179 5.932 1.00 0.00 C ATOM 156 C ASP A 10 5.440 2.087 7.370 1.00 0.00 C ATOM 157 O ASP A 10 5.010 1.217 8.129 1.00 0.00 O ATOM 158 CB ASP A 10 6.000 1.611 4.983 1.00 0.00 C ATOM 159 CG ASP A 10 5.499 1.408 3.562 1.00 0.00 C ATOM 160 OD1 ASP A 10 4.437 0.820 3.343 1.00 0.00 O ATOM 161 H ASP A 10 5.033 3.976 4.809 1.00 0.00 H ATOM 162 HA ASP A 10 4.040 1.579 5.844 1.00 0.00 H ATOM 163 HB2 ASP A 10 6.838 2.291 4.951 1.00 0.00 H ATOM 164 HB3 ASP A 10 6.335 0.657 5.365 1.00 0.00 H ATOM 165 N ARG A 11 6.367 2.974 7.728 1.00 0.00 N ATOM 166 CA ARG A 11 6.951 2.979 9.071 1.00 0.00 C ATOM 167 C ARG A 11 5.961 3.462 10.134 1.00 0.00 C ATOM 168 O ARG A 11 5.870 2.874 11.211 1.00 0.00 O ATOM 169 CB ARG A 11 8.220 3.839 9.104 1.00 0.00 C ATOM 170 CG ARG A 11 7.972 5.318 8.846 1.00 0.00 C ATOM 171 CD ARG A 11 9.261 6.122 8.915 1.00 0.00 C ATOM 172 NE ARG A 11 9.022 7.561 8.794 1.00 0.00 N ATOM 173 CZ ARG A 11 8.383 8.297 9.709 1.00 0.00 C ATOM 174 NH1 ARG A 11 7.937 7.746 10.836 1.00 0.00 N ATOM 175 NH2 ARG A 11 8.199 9.595 9.501 1.00 0.00 N ATOM 176 H ARG A 11 6.674 3.633 7.068 1.00 0.00 H ATOM 177 HA ARG A 11 7.219 1.959 9.305 1.00 0.00 H ATOM 178 HB2 ARG A 11 8.684 3.738 10.074 1.00 0.00 H ATOM 179 HB3 ARG A 11 8.903 3.476 8.350 1.00 0.00 H ATOM 180 HG2 ARG A 11 7.540 5.434 7.863 1.00 0.00 H ATOM 181 HG3 ARG A 11 7.284 5.692 9.590 1.00 0.00 H ATOM 182 HD2 ARG A 11 9.742 5.926 9.863 1.00 0.00 H ATOM 183 HD3 ARG A 11 9.910 5.806 8.111 1.00 0.00 H ATOM 184 HE ARG A 11 9.349 8.004 7.982 1.00 0.00 H ATOM 185 HH11 ARG A 11 8.078 6.772 11.009 1.00 0.00 H ATOM 186 HH12 ARG A 11 7.460 8.309 11.512 1.00 0.00 H ATOM 187 HH21 ARG A 11 8.540 10.020 8.663 1.00 0.00 H ATOM 188 HH22 ARG A 11 7.719 10.148 10.182 1.00 0.00 H ATOM 189 N ARG A 12 5.226 4.532 9.835 1.00 0.00 N ATOM 190 CA ARG A 12 4.255 5.076 10.782 1.00 0.00 C ATOM 191 C ARG A 12 3.136 4.070 11.059 1.00 0.00 C ATOM 192 O ARG A 12 2.707 3.903 12.203 1.00 0.00 O ATOM 193 CB ARG A 12 3.650 6.376 10.244 1.00 0.00 C ATOM 194 CG ARG A 12 2.763 7.095 11.250 1.00 0.00 C ATOM 195 CD ARG A 12 1.539 7.704 10.586 1.00 0.00 C ATOM 196 NE ARG A 12 0.653 6.680 10.027 1.00 0.00 N ATOM 197 CZ ARG A 12 -0.520 6.941 9.444 1.00 0.00 C ATOM 198 NH1 ARG A 12 -0.961 8.192 9.342 1.00 0.00 N ATOM 199 NH2 ARG A 12 -1.256 5.944 8.965 1.00 0.00 N ATOM 200 H ARG A 12 5.340 4.966 8.963 1.00 0.00 H ATOM 201 HA ARG A 12 4.773 5.285 11.705 1.00 0.00 H ATOM 202 HB2 ARG A 12 4.453 7.042 9.961 1.00 0.00 H ATOM 203 HB3 ARG A 12 3.059 6.149 9.370 1.00 0.00 H ATOM 204 HG2 ARG A 12 2.439 6.389 12.000 1.00 0.00 H ATOM 205 HG3 ARG A 12 3.335 7.882 11.719 1.00 0.00 H ATOM 206 HD2 ARG A 12 0.993 8.276 11.322 1.00 0.00 H ATOM 207 HD3 ARG A 12 1.864 8.358 9.790 1.00 0.00 H ATOM 208 HE ARG A 12 0.947 5.747 10.089 1.00 0.00 H ATOM 209 HH11 ARG A 12 -0.414 8.948 9.701 1.00 0.00 H ATOM 210 HH12 ARG A 12 -1.841 8.378 8.904 1.00 0.00 H ATOM 211 HH21 ARG A 12 -0.931 5.001 9.041 1.00 0.00 H ATOM 212 HH22 ARG A 12 -2.136 6.135 8.529 1.00 0.00 H ATOM 213 N LYS A 13 2.662 3.414 9.999 1.00 0.00 N ATOM 214 CA LYS A 13 1.584 2.435 10.113 1.00 0.00 C ATOM 215 C LYS A 13 2.005 1.198 10.908 1.00 0.00 C ATOM 216 O LYS A 13 1.254 0.723 11.761 1.00 0.00 O ATOM 217 CB LYS A 13 1.092 2.018 8.723 1.00 0.00 C ATOM 218 CG LYS A 13 0.010 0.951 8.760 1.00 0.00 C ATOM 219 CD LYS A 13 -1.204 1.414 9.550 1.00 0.00 C ATOM 220 CE LYS A 13 -2.020 0.237 10.058 1.00 0.00 C ATOM 221 NZ LYS A 13 -1.255 -0.588 10.995 1.00 0.00 N ATOM 222 H LYS A 13 3.042 3.600 9.114 1.00 0.00 H ATOM 223 HA LYS A 13 0.771 2.912 10.635 1.00 0.00 H ATOM 224 HB2 LYS A 13 0.696 2.886 8.217 1.00 0.00 H ATOM 225 HB3 LYS A 13 1.928 1.633 8.158 1.00 0.00 H ATOM 226 HG2 LYS A 13 -0.296 0.730 7.748 1.00 0.00 H ATOM 227 HG3 LYS A 13 0.411 0.060 9.219 1.00 0.00 H ATOM 228 HD2 LYS A 13 -0.872 1.999 10.394 1.00 0.00 H ATOM 229 HD3 LYS A 13 -1.826 2.024 8.911 1.00 0.00 H ATOM 230 HE2 LYS A 13 -2.899 0.615 10.560 1.00 0.00 H ATOM 231 HE3 LYS A 13 -2.319 -0.370 9.217 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -0.352 -0.859 10.726 1.00 0.00 H ATOM 233 N ARG A 14 3.197 0.670 10.618 1.00 0.00 N ATOM 234 CA ARG A 14 3.690 -0.527 11.309 1.00 0.00 C ATOM 235 C ARG A 14 3.847 -0.288 12.811 1.00 0.00 C ATOM 236 O ARG A 14 3.588 -1.184 13.615 1.00 0.00 O ATOM 237 CB ARG A 14 5.020 -1.002 10.712 1.00 0.00 C ATOM 238 CG ARG A 14 6.172 -0.024 10.896 1.00 0.00 C ATOM 239 CD ARG A 14 7.477 -0.582 10.344 1.00 0.00 C ATOM 240 NE ARG A 14 7.871 -1.833 10.998 1.00 0.00 N ATOM 241 CZ ARG A 14 8.220 -1.934 12.285 1.00 0.00 C ATOM 242 NH1 ARG A 14 8.267 -0.855 13.061 1.00 0.00 N ATOM 243 NH2 ARG A 14 8.533 -3.120 12.794 1.00 0.00 N ATOM 244 H ARG A 14 3.752 1.087 9.921 1.00 0.00 H ATOM 245 HA ARG A 14 2.954 -1.304 11.167 1.00 0.00 H ATOM 246 HB2 ARG A 14 5.293 -1.935 11.180 1.00 0.00 H ATOM 247 HB3 ARG A 14 4.883 -1.168 9.654 1.00 0.00 H ATOM 248 HG2 ARG A 14 5.938 0.891 10.375 1.00 0.00 H ATOM 249 HG3 ARG A 14 6.293 0.181 11.949 1.00 0.00 H ATOM 250 HD2 ARG A 14 7.356 -0.765 9.287 1.00 0.00 H ATOM 251 HD3 ARG A 14 8.257 0.150 10.493 1.00 0.00 H ATOM 252 HE ARG A 14 7.866 -2.646 10.449 1.00 0.00 H ATOM 253 HH11 ARG A 14 8.043 0.044 12.686 1.00 0.00 H ATOM 254 HH12 ARG A 14 8.528 -0.942 14.022 1.00 0.00 H ATOM 255 HH21 ARG A 14 8.507 -3.936 12.215 1.00 0.00 H ATOM 256 HH22 ARG A 14 8.797 -3.198 13.755 1.00 0.00 H ATOM 257 N GLU A 15 4.277 0.919 13.183 1.00 0.00 N ATOM 258 CA GLU A 15 4.471 1.270 14.589 1.00 0.00 C ATOM 259 C GLU A 15 3.147 1.319 15.347 1.00 0.00 C ATOM 260 O GLU A 15 3.038 0.779 16.450 1.00 0.00 O ATOM 261 CB GLU A 15 5.180 2.622 14.714 1.00 0.00 C ATOM 262 CG GLU A 15 6.621 2.610 14.221 1.00 0.00 C ATOM 263 CD GLU A 15 7.551 1.765 15.083 1.00 0.00 C ATOM 264 OE1 GLU A 15 7.101 1.237 16.126 1.00 0.00 O ATOM 265 OE2 GLU A 15 8.739 1.640 14.718 1.00 0.00 O ATOM 266 H GLU A 15 4.471 1.590 12.495 1.00 0.00 H ATOM 267 HA GLU A 15 5.093 0.509 15.033 1.00 0.00 H ATOM 268 HB2 GLU A 15 4.632 3.356 14.142 1.00 0.00 H ATOM 269 HB3 GLU A 15 5.180 2.919 15.753 1.00 0.00 H ATOM 270 HG2 GLU A 15 6.637 2.214 13.217 1.00 0.00 H ATOM 271 HG3 GLU A 15 6.989 3.626 14.210 1.00 0.00 H ATOM 272 N ARG A 16 2.150 1.981 14.759 1.00 0.00 N ATOM 273 CA ARG A 16 0.840 2.114 15.392 1.00 0.00 C ATOM 274 C ARG A 16 0.122 0.768 15.513 1.00 0.00 C ATOM 275 O ARG A 16 -0.372 0.423 16.588 1.00 0.00 O ATOM 276 CB ARG A 16 -0.025 3.126 14.632 1.00 0.00 C ATOM 277 CG ARG A 16 0.402 4.572 14.849 1.00 0.00 C ATOM 278 CD ARG A 16 -0.552 5.547 14.175 1.00 0.00 C ATOM 279 NE ARG A 16 -0.539 6.866 14.814 1.00 0.00 N ATOM 280 CZ ARG A 16 -0.986 7.101 16.053 1.00 0.00 C ATOM 281 NH1 ARG A 16 -1.500 6.117 16.788 1.00 0.00 N ATOM 282 NH2 ARG A 16 -0.928 8.329 16.558 1.00 0.00 N ATOM 283 H ARG A 16 2.303 2.395 13.884 1.00 0.00 H ATOM 284 HA ARG A 16 1.008 2.490 16.387 1.00 0.00 H ATOM 285 HB2 ARG A 16 0.032 2.909 13.575 1.00 0.00 H ATOM 286 HB3 ARG A 16 -1.049 3.024 14.959 1.00 0.00 H ATOM 287 HG2 ARG A 16 0.422 4.777 15.910 1.00 0.00 H ATOM 288 HG3 ARG A 16 1.391 4.710 14.436 1.00 0.00 H ATOM 289 HD2 ARG A 16 -0.259 5.659 13.141 1.00 0.00 H ATOM 290 HD3 ARG A 16 -1.553 5.145 14.223 1.00 0.00 H ATOM 291 HE ARG A 16 -0.176 7.614 14.295 1.00 0.00 H ATOM 292 HH11 ARG A 16 -1.556 5.190 16.417 1.00 0.00 H ATOM 293 HH12 ARG A 16 -1.832 6.304 17.713 1.00 0.00 H ATOM 294 HH21 ARG A 16 -0.550 9.077 16.013 1.00 0.00 H ATOM 295 HH22 ARG A 16 -1.264 8.506 17.484 1.00 0.00 H ATOM 296 N ASP A 17 0.073 0.009 14.418 1.00 0.00 N ATOM 297 CA ASP A 17 -0.584 -1.303 14.430 1.00 0.00 C ATOM 298 C ASP A 17 0.213 -2.307 15.263 1.00 0.00 C ATOM 299 O ASP A 17 -0.343 -3.002 16.112 1.00 0.00 O ATOM 300 CB ASP A 17 -0.772 -1.843 13.008 1.00 0.00 C ATOM 301 CG ASP A 17 -1.715 -0.990 12.177 1.00 0.00 C ATOM 302 OD1 ASP A 17 -2.840 -0.705 12.594 1.00 0.00 O ATOM 303 H ASP A 17 0.490 0.332 13.593 1.00 0.00 H ATOM 304 HA ASP A 17 -1.555 -1.177 14.885 1.00 0.00 H ATOM 305 HB2 ASP A 17 0.186 -1.872 12.512 1.00 0.00 H ATOM 306 HB3 ASP A 17 -1.175 -2.844 13.061 1.00 0.00 H HETATM 307 N NH2 A 18 1.518 -2.382 15.021 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.897 -1.798 14.329 1.00 0.00 H HETATM 309 HN2 NH2 A 18 2.049 -3.018 15.543 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 6 HETATM 1 C ACE A 1 6.271 11.183 -2.945 1.00 0.00 C HETATM 2 O ACE A 1 5.674 10.895 -1.907 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.972 12.391 -3.050 1.00 0.00 C HETATM 4 H1 ACE A 1 6.321 13.149 -3.463 1.00 0.00 H HETATM 5 H2 ACE A 1 7.827 12.258 -3.695 1.00 0.00 H HETATM 6 H3 ACE A 1 7.310 12.698 -2.073 1.00 0.00 H ATOM 7 N THR A 2 6.290 10.383 -4.012 1.00 0.00 N ATOM 8 CA THR A 2 5.599 9.095 -4.026 1.00 0.00 C ATOM 9 C THR A 2 6.227 8.119 -3.034 1.00 0.00 C ATOM 10 O THR A 2 5.530 7.525 -2.210 1.00 0.00 O ATOM 11 CB THR A 2 5.621 8.468 -5.438 1.00 0.00 C ATOM 12 OG1 THR A 2 4.911 9.305 -6.362 1.00 0.00 O ATOM 13 CG2 THR A 2 5.006 7.072 -5.437 1.00 0.00 C ATOM 14 H THR A 2 6.785 10.665 -4.810 1.00 0.00 H ATOM 15 HA THR A 2 4.572 9.265 -3.746 1.00 0.00 H ATOM 16 HB THR A 2 6.650 8.391 -5.758 1.00 0.00 H ATOM 17 HG1 THR A 2 3.983 9.340 -6.116 1.00 0.00 H ATOM 18 HG21 THR A 2 4.079 7.087 -4.885 1.00 0.00 H ATOM 19 HG22 THR A 2 5.690 6.376 -4.974 1.00 0.00 H ATOM 20 HG23 THR A 2 4.814 6.763 -6.455 1.00 0.00 H ATOM 21 N ARG A 3 7.546 7.959 -3.123 1.00 0.00 N ATOM 22 CA ARG A 3 8.273 7.054 -2.239 1.00 0.00 C ATOM 23 C ARG A 3 8.492 7.684 -0.868 1.00 0.00 C ATOM 24 O ARG A 3 8.368 7.014 0.155 1.00 0.00 O ATOM 25 CB ARG A 3 9.606 6.644 -2.871 1.00 0.00 C ATOM 26 CG ARG A 3 9.439 5.936 -4.209 1.00 0.00 C ATOM 27 CD ARG A 3 8.639 4.647 -4.062 1.00 0.00 C ATOM 28 NE ARG A 3 8.082 4.182 -5.336 1.00 0.00 N ATOM 29 CZ ARG A 3 8.806 3.755 -6.375 1.00 0.00 C ATOM 30 NH1 ARG A 3 10.132 3.672 -6.296 1.00 0.00 N ATOM 31 NH2 ARG A 3 8.194 3.393 -7.497 1.00 0.00 N ATOM 32 H ARG A 3 8.041 8.462 -3.803 1.00 0.00 H ATOM 33 HA ARG A 3 7.666 6.171 -2.111 1.00 0.00 H ATOM 34 HB2 ARG A 3 10.209 7.527 -3.024 1.00 0.00 H ATOM 35 HB3 ARG A 3 10.123 5.977 -2.197 1.00 0.00 H ATOM 36 HG2 ARG A 3 8.920 6.594 -4.892 1.00 0.00 H ATOM 37 HG3 ARG A 3 10.416 5.701 -4.606 1.00 0.00 H ATOM 38 HD2 ARG A 3 9.289 3.881 -3.665 1.00 0.00 H ATOM 39 HD3 ARG A 3 7.829 4.820 -3.369 1.00 0.00 H ATOM 40 HE ARG A 3 7.106 4.201 -5.427 1.00 0.00 H ATOM 41 HH11 ARG A 3 10.602 3.929 -5.453 1.00 0.00 H ATOM 42 HH12 ARG A 3 10.660 3.352 -7.084 1.00 0.00 H ATOM 43 HH21 ARG A 3 7.197 3.441 -7.560 1.00 0.00 H ATOM 44 HH22 ARG A 3 8.729 3.073 -8.280 1.00 0.00 H ATOM 45 N GLN A 4 8.798 8.976 -0.846 1.00 0.00 N ATOM 46 CA GLN A 4 9.006 9.677 0.418 1.00 0.00 C ATOM 47 C GLN A 4 7.787 9.509 1.317 1.00 0.00 C ATOM 48 O GLN A 4 7.913 9.198 2.502 1.00 0.00 O ATOM 49 CB GLN A 4 9.269 11.168 0.180 1.00 0.00 C ATOM 50 CG GLN A 4 9.341 11.988 1.464 1.00 0.00 C ATOM 51 CD GLN A 4 9.488 13.476 1.201 1.00 0.00 C ATOM 52 OE1 GLN A 4 10.453 13.917 0.574 1.00 0.00 O ATOM 53 NE2 GLN A 4 8.528 14.262 1.681 1.00 0.00 N ATOM 54 H GLN A 4 8.867 9.469 -1.689 1.00 0.00 H ATOM 55 HA GLN A 4 9.864 9.239 0.904 1.00 0.00 H ATOM 56 HB2 GLN A 4 10.206 11.276 -0.344 1.00 0.00 H ATOM 57 HB3 GLN A 4 8.475 11.568 -0.433 1.00 0.00 H ATOM 58 HG2 GLN A 4 8.433 11.827 2.031 1.00 0.00 H ATOM 59 HG3 GLN A 4 10.189 11.654 2.044 1.00 0.00 H ATOM 60 HE21 GLN A 4 7.788 13.845 2.172 1.00 0.00 H ATOM 61 HE22 GLN A 4 8.599 15.226 1.524 1.00 0.00 H ATOM 62 N ALA A 5 6.608 9.721 0.732 1.00 0.00 N ATOM 63 CA ALA A 5 5.349 9.599 1.459 1.00 0.00 C ATOM 64 C ALA A 5 5.044 8.145 1.811 1.00 0.00 C ATOM 65 O ALA A 5 4.557 7.860 2.902 1.00 0.00 O ATOM 66 CB ALA A 5 4.204 10.196 0.650 1.00 0.00 C ATOM 67 H ALA A 5 6.588 9.967 -0.217 1.00 0.00 H ATOM 68 HA ALA A 5 5.441 10.165 2.374 1.00 0.00 H ATOM 69 HB1 ALA A 5 3.311 10.222 1.256 1.00 0.00 H ATOM 70 HB2 ALA A 5 4.027 9.588 -0.225 1.00 0.00 H ATOM 71 HB3 ALA A 5 4.462 11.200 0.345 1.00 0.00 H ATOM 72 N LYS A 6 5.326 7.228 0.882 1.00 0.00 N ATOM 73 CA LYS A 6 5.069 5.807 1.106 1.00 0.00 C ATOM 74 C LYS A 6 5.891 5.266 2.271 1.00 0.00 C ATOM 75 O LYS A 6 5.345 4.662 3.194 1.00 0.00 O ATOM 76 CB LYS A 6 5.369 4.994 -0.160 1.00 0.00 C ATOM 77 CG LYS A 6 5.368 3.490 0.074 1.00 0.00 C ATOM 78 CD LYS A 6 4.024 3.002 0.596 1.00 0.00 C ATOM 79 CE LYS A 6 4.169 1.721 1.406 1.00 0.00 C ATOM 80 NZ LYS A 6 4.860 1.955 2.678 1.00 0.00 N ATOM 81 H LYS A 6 5.714 7.515 0.029 1.00 0.00 H ATOM 82 HA LYS A 6 4.024 5.700 1.346 1.00 0.00 H ATOM 83 HB2 LYS A 6 4.623 5.223 -0.907 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.340 5.278 -0.535 1.00 0.00 H ATOM 85 HG2 LYS A 6 5.580 2.992 -0.861 1.00 0.00 H ATOM 86 HG3 LYS A 6 6.135 3.247 0.793 1.00 0.00 H ATOM 87 HD2 LYS A 6 3.595 3.765 1.227 1.00 0.00 H ATOM 88 HD3 LYS A 6 3.370 2.815 -0.242 1.00 0.00 H ATOM 89 HE2 LYS A 6 3.184 1.327 1.607 1.00 0.00 H ATOM 90 HE3 LYS A 6 4.732 1.004 0.826 1.00 0.00 H ATOM 91 HZ1 LYS A 6 5.712 2.440 2.649 1.00 0.00 H ATOM 92 N ARG A 7 7.201 5.487 2.220 1.00 0.00 N ATOM 93 CA ARG A 7 8.102 5.018 3.272 1.00 0.00 C ATOM 94 C ARG A 7 7.729 5.642 4.612 1.00 0.00 C ATOM 95 O ARG A 7 7.751 4.978 5.648 1.00 0.00 O ATOM 96 CB ARG A 7 9.559 5.343 2.924 1.00 0.00 C ATOM 97 CG ARG A 7 10.026 4.736 1.609 1.00 0.00 C ATOM 98 CD ARG A 7 9.933 3.218 1.627 1.00 0.00 C ATOM 99 NE ARG A 7 10.213 2.632 0.315 1.00 0.00 N ATOM 100 CZ ARG A 7 10.209 1.320 0.066 1.00 0.00 C ATOM 101 NH1 ARG A 7 9.950 0.448 1.036 1.00 0.00 N ATOM 102 NH2 ARG A 7 10.467 0.878 -1.159 1.00 0.00 N ATOM 103 H ARG A 7 7.569 5.976 1.454 1.00 0.00 H ATOM 104 HA ARG A 7 7.990 3.947 3.348 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.671 6.415 2.859 1.00 0.00 H ATOM 106 HB3 ARG A 7 10.195 4.970 3.713 1.00 0.00 H ATOM 107 HG2 ARG A 7 9.408 5.114 0.810 1.00 0.00 H ATOM 108 HG3 ARG A 7 11.053 5.023 1.439 1.00 0.00 H ATOM 109 HD2 ARG A 7 10.650 2.835 2.338 1.00 0.00 H ATOM 110 HD3 ARG A 7 8.938 2.934 1.933 1.00 0.00 H ATOM 111 HE ARG A 7 10.410 3.249 -0.421 1.00 0.00 H ATOM 112 HH11 ARG A 7 9.755 0.769 1.963 1.00 0.00 H ATOM 113 HH12 ARG A 7 9.950 -0.532 0.838 1.00 0.00 H ATOM 114 HH21 ARG A 7 10.663 1.527 -1.894 1.00 0.00 H ATOM 115 HH22 ARG A 7 10.466 -0.104 -1.347 1.00 0.00 H ATOM 116 N ASN A 8 7.377 6.920 4.574 1.00 0.00 N ATOM 117 CA ASN A 8 6.983 7.648 5.776 1.00 0.00 C ATOM 118 C ASN A 8 5.661 7.112 6.332 1.00 0.00 C ATOM 119 O ASN A 8 5.523 6.920 7.541 1.00 0.00 O ATOM 120 CB ASN A 8 6.875 9.147 5.466 1.00 0.00 C ATOM 121 CG ASN A 8 6.434 9.971 6.660 1.00 0.00 C ATOM 122 OD1 ASN A 8 6.998 9.862 7.748 1.00 0.00 O ATOM 123 ND2 ASN A 8 5.434 10.821 6.455 1.00 0.00 N ATOM 124 H ASN A 8 7.374 7.386 3.712 1.00 0.00 H ATOM 125 HA ASN A 8 7.754 7.501 6.516 1.00 0.00 H ATOM 126 HB2 ASN A 8 7.840 9.511 5.141 1.00 0.00 H ATOM 127 HB3 ASN A 8 6.160 9.290 4.670 1.00 0.00 H ATOM 128 HD21 ASN A 8 5.042 10.869 5.557 1.00 0.00 H ATOM 129 HD22 ASN A 8 5.132 11.369 7.208 1.00 0.00 H ATOM 130 N ARG A 9 4.697 6.867 5.441 1.00 0.00 N ATOM 131 CA ARG A 9 3.386 6.345 5.837 1.00 0.00 C ATOM 132 C ARG A 9 3.500 4.924 6.394 1.00 0.00 C ATOM 133 O ARG A 9 2.916 4.613 7.434 1.00 0.00 O ATOM 134 CB ARG A 9 2.416 6.363 4.649 1.00 0.00 C ATOM 135 CG ARG A 9 1.969 7.760 4.232 1.00 0.00 C ATOM 136 CD ARG A 9 1.106 8.420 5.299 1.00 0.00 C ATOM 137 NE ARG A 9 -0.128 7.673 5.553 1.00 0.00 N ATOM 138 CZ ARG A 9 -1.089 8.077 6.386 1.00 0.00 C ATOM 139 NH1 ARG A 9 -0.974 9.227 7.046 1.00 0.00 N ATOM 140 NH2 ARG A 9 -2.174 7.329 6.558 1.00 0.00 N ATOM 141 H ARG A 9 4.874 7.037 4.492 1.00 0.00 H ATOM 142 HA ARG A 9 2.998 6.989 6.612 1.00 0.00 H ATOM 143 HB2 ARG A 9 2.896 5.897 3.801 1.00 0.00 H ATOM 144 HB3 ARG A 9 1.538 5.792 4.910 1.00 0.00 H ATOM 145 HG2 ARG A 9 2.840 8.372 4.064 1.00 0.00 H ATOM 146 HG3 ARG A 9 1.398 7.686 3.317 1.00 0.00 H ATOM 147 HD2 ARG A 9 1.674 8.480 6.215 1.00 0.00 H ATOM 148 HD3 ARG A 9 0.851 9.417 4.970 1.00 0.00 H ATOM 149 HE ARG A 9 -0.247 6.823 5.078 1.00 0.00 H ATOM 150 HH11 ARG A 9 -0.165 9.800 6.920 1.00 0.00 H ATOM 151 HH12 ARG A 9 -1.700 9.520 7.669 1.00 0.00 H ATOM 152 HH21 ARG A 9 -2.270 6.466 6.063 1.00 0.00 H ATOM 153 HH22 ARG A 9 -2.895 7.630 7.182 1.00 0.00 H ATOM 154 N ASP A 10 4.259 4.067 5.700 1.00 0.00 N ATOM 155 CA ASP A 10 4.453 2.682 6.135 1.00 0.00 C ATOM 156 C ASP A 10 5.158 2.630 7.490 1.00 0.00 C ATOM 157 O ASP A 10 4.775 1.852 8.364 1.00 0.00 O ATOM 158 CB ASP A 10 5.237 1.883 5.083 1.00 0.00 C ATOM 159 CG ASP A 10 4.391 1.550 3.860 1.00 0.00 C ATOM 160 OD1 ASP A 10 3.330 0.936 3.983 1.00 0.00 O ATOM 161 H ASP A 10 4.702 4.377 4.883 1.00 0.00 H ATOM 162 HA ASP A 10 3.473 2.239 6.245 1.00 0.00 H ATOM 163 HB2 ASP A 10 6.090 2.463 4.761 1.00 0.00 H ATOM 164 HB3 ASP A 10 5.581 0.959 5.524 1.00 0.00 H ATOM 165 N ARG A 11 6.172 3.481 7.667 1.00 0.00 N ATOM 166 CA ARG A 11 6.910 3.549 8.928 1.00 0.00 C ATOM 167 C ARG A 11 5.963 3.926 10.068 1.00 0.00 C ATOM 168 O ARG A 11 6.059 3.395 11.176 1.00 0.00 O ATOM 169 CB ARG A 11 8.059 4.566 8.815 1.00 0.00 C ATOM 170 CG ARG A 11 8.929 4.683 10.063 1.00 0.00 C ATOM 171 CD ARG A 11 8.252 5.494 11.165 1.00 0.00 C ATOM 172 NE ARG A 11 9.037 5.523 12.403 1.00 0.00 N ATOM 173 CZ ARG A 11 9.292 4.449 13.166 1.00 0.00 C ATOM 174 NH1 ARG A 11 8.820 3.249 12.833 1.00 0.00 N ATOM 175 NH2 ARG A 11 10.018 4.582 14.272 1.00 0.00 N ATOM 176 H ARG A 11 6.419 4.088 6.937 1.00 0.00 H ATOM 177 HA ARG A 11 7.320 2.570 9.126 1.00 0.00 H ATOM 178 HB2 ARG A 11 8.694 4.276 7.991 1.00 0.00 H ATOM 179 HB3 ARG A 11 7.639 5.538 8.603 1.00 0.00 H ATOM 180 HG2 ARG A 11 9.136 3.693 10.436 1.00 0.00 H ATOM 181 HG3 ARG A 11 9.857 5.167 9.793 1.00 0.00 H ATOM 182 HD2 ARG A 11 8.121 6.507 10.815 1.00 0.00 H ATOM 183 HD3 ARG A 11 7.289 5.064 11.374 1.00 0.00 H ATOM 184 HE ARG A 11 9.394 6.391 12.687 1.00 0.00 H ATOM 185 HH11 ARG A 11 8.266 3.137 12.010 1.00 0.00 H ATOM 186 HH12 ARG A 11 9.020 2.456 13.410 1.00 0.00 H ATOM 187 HH21 ARG A 11 10.371 5.480 14.535 1.00 0.00 H ATOM 188 HH22 ARG A 11 10.212 3.784 14.844 1.00 0.00 H ATOM 189 N ARG A 12 5.042 4.842 9.783 1.00 0.00 N ATOM 190 CA ARG A 12 4.066 5.287 10.771 1.00 0.00 C ATOM 191 C ARG A 12 3.155 4.132 11.197 1.00 0.00 C ATOM 192 O ARG A 12 2.847 3.975 12.382 1.00 0.00 O ATOM 193 CB ARG A 12 3.224 6.432 10.196 1.00 0.00 C ATOM 194 CG ARG A 12 2.219 7.015 11.179 1.00 0.00 C ATOM 195 CD ARG A 12 2.903 7.601 12.407 1.00 0.00 C ATOM 196 NE ARG A 12 3.803 8.705 12.067 1.00 0.00 N ATOM 197 CZ ARG A 12 4.552 9.359 12.959 1.00 0.00 C ATOM 198 NH1 ARG A 12 4.524 9.018 14.245 1.00 0.00 N ATOM 199 NH2 ARG A 12 5.332 10.360 12.562 1.00 0.00 N ATOM 200 H ARG A 12 5.013 5.225 8.881 1.00 0.00 H ATOM 201 HA ARG A 12 4.606 5.644 11.634 1.00 0.00 H ATOM 202 HB2 ARG A 12 3.886 7.224 9.878 1.00 0.00 H ATOM 203 HB3 ARG A 12 2.682 6.065 9.337 1.00 0.00 H ATOM 204 HG2 ARG A 12 1.661 7.795 10.685 1.00 0.00 H ATOM 205 HG3 ARG A 12 1.545 6.232 11.493 1.00 0.00 H ATOM 206 HD2 ARG A 12 2.144 7.966 13.083 1.00 0.00 H ATOM 207 HD3 ARG A 12 3.471 6.822 12.893 1.00 0.00 H ATOM 208 HE ARG A 12 3.849 8.978 11.126 1.00 0.00 H ATOM 209 HH11 ARG A 12 3.940 8.266 14.552 1.00 0.00 H ATOM 210 HH12 ARG A 12 5.089 9.512 14.905 1.00 0.00 H ATOM 211 HH21 ARG A 12 5.360 10.622 11.597 1.00 0.00 H ATOM 212 HH22 ARG A 12 5.893 10.851 13.229 1.00 0.00 H ATOM 213 N LYS A 13 2.716 3.335 10.216 1.00 0.00 N ATOM 214 CA LYS A 13 1.824 2.209 10.477 1.00 0.00 C ATOM 215 C LYS A 13 2.518 1.042 11.178 1.00 0.00 C ATOM 216 O LYS A 13 1.941 0.446 12.074 1.00 0.00 O ATOM 217 CB LYS A 13 1.157 1.722 9.187 1.00 0.00 C ATOM 218 CG LYS A 13 0.093 2.673 8.656 1.00 0.00 C ATOM 219 CD LYS A 13 -0.969 1.946 7.837 1.00 0.00 C ATOM 220 CE LYS A 13 -2.049 1.323 8.719 1.00 0.00 C ATOM 221 NZ LYS A 13 -1.533 0.252 9.574 1.00 0.00 N ATOM 222 H LYS A 13 2.988 3.520 9.293 1.00 0.00 H ATOM 223 HA LYS A 13 1.051 2.571 11.134 1.00 0.00 H ATOM 224 HB2 LYS A 13 1.916 1.607 8.426 1.00 0.00 H ATOM 225 HB3 LYS A 13 0.698 0.763 9.369 1.00 0.00 H ATOM 226 HG2 LYS A 13 -0.388 3.161 9.491 1.00 0.00 H ATOM 227 HG3 LYS A 13 0.569 3.415 8.032 1.00 0.00 H ATOM 228 HD2 LYS A 13 -1.434 2.651 7.165 1.00 0.00 H ATOM 229 HD3 LYS A 13 -0.492 1.163 7.264 1.00 0.00 H ATOM 230 HE2 LYS A 13 -2.471 2.096 9.345 1.00 0.00 H ATOM 231 HE3 LYS A 13 -2.822 0.919 8.082 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -1.508 -0.651 9.196 1.00 0.00 H ATOM 233 N ARG A 14 3.738 0.692 10.779 1.00 0.00 N ATOM 234 CA ARG A 14 4.425 -0.438 11.417 1.00 0.00 C ATOM 235 C ARG A 14 4.378 -0.324 12.947 1.00 0.00 C ATOM 236 O ARG A 14 4.143 -1.318 13.638 1.00 0.00 O ATOM 237 CB ARG A 14 5.874 -0.577 10.927 1.00 0.00 C ATOM 238 CG ARG A 14 6.750 0.635 11.196 1.00 0.00 C ATOM 239 CD ARG A 14 8.185 0.403 10.747 1.00 0.00 C ATOM 240 NE ARG A 14 8.287 0.192 9.302 1.00 0.00 N ATOM 241 CZ ARG A 14 9.435 -0.021 8.657 1.00 0.00 C ATOM 242 NH1 ARG A 14 10.590 -0.042 9.319 1.00 0.00 N ATOM 243 NH2 ARG A 14 9.429 -0.213 7.342 1.00 0.00 N ATOM 244 H ARG A 14 4.171 1.182 10.048 1.00 0.00 H ATOM 245 HA ARG A 14 3.885 -1.332 11.138 1.00 0.00 H ATOM 246 HB2 ARG A 14 6.323 -1.428 11.415 1.00 0.00 H ATOM 247 HB3 ARG A 14 5.861 -0.754 9.862 1.00 0.00 H ATOM 248 HG2 ARG A 14 6.351 1.475 10.653 1.00 0.00 H ATOM 249 HG3 ARG A 14 6.742 0.849 12.254 1.00 0.00 H ATOM 250 HD2 ARG A 14 8.776 1.266 11.016 1.00 0.00 H ATOM 251 HD3 ARG A 14 8.572 -0.468 11.256 1.00 0.00 H ATOM 252 HE ARG A 14 7.454 0.207 8.784 1.00 0.00 H ATOM 253 HH11 ARG A 14 10.605 0.103 10.308 1.00 0.00 H ATOM 254 HH12 ARG A 14 11.446 -0.203 8.826 1.00 0.00 H ATOM 255 HH21 ARG A 14 8.565 -0.198 6.839 1.00 0.00 H ATOM 256 HH22 ARG A 14 10.288 -0.374 6.856 1.00 0.00 H ATOM 257 N GLU A 15 4.583 0.891 13.467 1.00 0.00 N ATOM 258 CA GLU A 15 4.553 1.125 14.911 1.00 0.00 C ATOM 259 C GLU A 15 3.122 1.111 15.463 1.00 0.00 C ATOM 260 O GLU A 15 2.839 0.411 16.437 1.00 0.00 O ATOM 261 CB GLU A 15 5.238 2.457 15.250 1.00 0.00 C ATOM 262 CG GLU A 15 5.293 2.767 16.743 1.00 0.00 C ATOM 263 CD GLU A 15 6.136 1.777 17.531 1.00 0.00 C ATOM 264 OE1 GLU A 15 5.751 0.590 17.607 1.00 0.00 O ATOM 265 OE2 GLU A 15 7.182 2.192 18.076 1.00 0.00 O ATOM 266 H GLU A 15 4.751 1.646 12.865 1.00 0.00 H ATOM 267 HA GLU A 15 5.103 0.326 15.379 1.00 0.00 H ATOM 268 HB2 GLU A 15 6.251 2.433 14.875 1.00 0.00 H ATOM 269 HB3 GLU A 15 4.704 3.256 14.760 1.00 0.00 H ATOM 270 HG2 GLU A 15 5.710 3.753 16.877 1.00 0.00 H ATOM 271 HG3 GLU A 15 4.289 2.750 17.135 1.00 0.00 H ATOM 272 N ARG A 16 2.226 1.887 14.844 1.00 0.00 N ATOM 273 CA ARG A 16 0.827 1.960 15.292 1.00 0.00 C ATOM 274 C ARG A 16 0.037 0.709 14.900 1.00 0.00 C ATOM 275 O ARG A 16 -0.501 0.011 15.761 1.00 0.00 O ATOM 276 CB ARG A 16 0.146 3.209 14.721 1.00 0.00 C ATOM 277 CG ARG A 16 -0.042 4.336 15.730 1.00 0.00 C ATOM 278 CD ARG A 16 1.276 4.789 16.350 1.00 0.00 C ATOM 279 NE ARG A 16 1.783 3.843 17.347 1.00 0.00 N ATOM 280 CZ ARG A 16 1.193 3.591 18.521 1.00 0.00 C ATOM 281 NH1 ARG A 16 0.068 4.214 18.865 1.00 0.00 N ATOM 282 NH2 ARG A 16 1.735 2.712 19.358 1.00 0.00 N ATOM 283 H ARG A 16 2.512 2.425 14.076 1.00 0.00 H ATOM 284 HA ARG A 16 0.834 2.031 16.367 1.00 0.00 H ATOM 285 HB2 ARG A 16 0.743 3.585 13.903 1.00 0.00 H ATOM 286 HB3 ARG A 16 -0.826 2.931 14.343 1.00 0.00 H ATOM 287 HG2 ARG A 16 -0.496 5.178 15.231 1.00 0.00 H ATOM 288 HG3 ARG A 16 -0.696 3.990 16.517 1.00 0.00 H ATOM 289 HD2 ARG A 16 2.009 4.893 15.564 1.00 0.00 H ATOM 290 HD3 ARG A 16 1.123 5.748 16.823 1.00 0.00 H ATOM 291 HE ARG A 16 2.609 3.365 17.129 1.00 0.00 H ATOM 292 HH11 ARG A 16 -0.348 4.879 18.246 1.00 0.00 H ATOM 293 HH12 ARG A 16 -0.362 4.017 19.746 1.00 0.00 H ATOM 294 HH21 ARG A 16 2.580 2.239 19.110 1.00 0.00 H ATOM 295 HH22 ARG A 16 1.297 2.523 20.239 1.00 0.00 H ATOM 296 N ASP A 17 -0.016 0.435 13.599 1.00 0.00 N ATOM 297 CA ASP A 17 -0.723 -0.732 13.064 1.00 0.00 C ATOM 298 C ASP A 17 -0.187 -2.022 13.686 1.00 0.00 C ATOM 299 O ASP A 17 -0.951 -2.932 14.004 1.00 0.00 O ATOM 300 CB ASP A 17 -0.565 -0.799 11.536 1.00 0.00 C ATOM 301 CG ASP A 17 -1.083 0.440 10.817 1.00 0.00 C ATOM 302 OD1 ASP A 17 -1.048 1.549 11.357 1.00 0.00 O ATOM 303 H ASP A 17 0.445 1.034 12.976 1.00 0.00 H ATOM 304 HA ASP A 17 -1.771 -0.632 13.308 1.00 0.00 H ATOM 305 HB2 ASP A 17 0.479 -0.918 11.293 1.00 0.00 H ATOM 306 HB3 ASP A 17 -1.110 -1.655 11.167 1.00 0.00 H HETATM 307 N NH2 A 18 1.135 -2.101 13.860 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.691 -1.338 13.583 1.00 0.00 H HETATM 309 HN2 NH2 A 18 1.498 -2.919 14.257 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 7 HETATM 1 C ACE A 1 5.834 10.870 -2.942 1.00 0.00 C HETATM 2 O ACE A 1 5.948 10.750 -1.721 1.00 0.00 O HETATM 3 CH3 ACE A 1 5.949 12.130 -3.546 1.00 0.00 C HETATM 4 H1 ACE A 1 6.261 12.007 -4.575 1.00 0.00 H HETATM 5 H2 ACE A 1 6.681 12.719 -3.017 1.00 0.00 H HETATM 6 H3 ACE A 1 4.996 12.634 -3.515 1.00 0.00 H ATOM 7 N THR A 2 5.601 9.834 -3.751 1.00 0.00 N ATOM 8 CA THR A 2 5.458 8.463 -3.251 1.00 0.00 C ATOM 9 C THR A 2 6.673 8.023 -2.428 1.00 0.00 C ATOM 10 O THR A 2 6.533 7.285 -1.458 1.00 0.00 O ATOM 11 CB THR A 2 5.250 7.468 -4.416 1.00 0.00 C ATOM 12 OG1 THR A 2 4.062 7.804 -5.145 1.00 0.00 O ATOM 13 CG2 THR A 2 5.149 6.031 -3.913 1.00 0.00 C ATOM 14 H THR A 2 5.521 9.995 -4.715 1.00 0.00 H ATOM 15 HA THR A 2 4.583 8.430 -2.621 1.00 0.00 H ATOM 16 HB THR A 2 6.098 7.542 -5.080 1.00 0.00 H ATOM 17 HG1 THR A 2 3.292 7.679 -4.585 1.00 0.00 H ATOM 18 HG21 THR A 2 4.514 5.998 -3.040 1.00 0.00 H ATOM 19 HG22 THR A 2 6.134 5.669 -3.656 1.00 0.00 H ATOM 20 HG23 THR A 2 4.729 5.408 -4.689 1.00 0.00 H ATOM 21 N ARG A 3 7.863 8.470 -2.830 1.00 0.00 N ATOM 22 CA ARG A 3 9.105 8.111 -2.138 1.00 0.00 C ATOM 23 C ARG A 3 9.011 8.329 -0.620 1.00 0.00 C ATOM 24 O ARG A 3 9.001 7.364 0.149 1.00 0.00 O ATOM 25 CB ARG A 3 10.273 8.919 -2.722 1.00 0.00 C ATOM 26 CG ARG A 3 11.564 8.835 -1.917 1.00 0.00 C ATOM 27 CD ARG A 3 12.099 7.413 -1.826 1.00 0.00 C ATOM 28 NE ARG A 3 13.337 7.347 -1.046 1.00 0.00 N ATOM 29 CZ ARG A 3 14.018 6.223 -0.813 1.00 0.00 C ATOM 30 NH1 ARG A 3 13.583 5.060 -1.295 1.00 0.00 N ATOM 31 NH2 ARG A 3 15.137 6.261 -0.095 1.00 0.00 N ATOM 32 H ARG A 3 7.911 9.049 -3.620 1.00 0.00 H ATOM 33 HA ARG A 3 9.286 7.065 -2.321 1.00 0.00 H ATOM 34 HB2 ARG A 3 10.476 8.560 -3.720 1.00 0.00 H ATOM 35 HB3 ARG A 3 9.980 9.957 -2.779 1.00 0.00 H ATOM 36 HG2 ARG A 3 12.309 9.454 -2.393 1.00 0.00 H ATOM 37 HG3 ARG A 3 11.376 9.203 -0.920 1.00 0.00 H ATOM 38 HD2 ARG A 3 11.353 6.791 -1.354 1.00 0.00 H ATOM 39 HD3 ARG A 3 12.293 7.049 -2.824 1.00 0.00 H ATOM 40 HE ARG A 3 13.681 8.188 -0.674 1.00 0.00 H ATOM 41 HH11 ARG A 3 12.742 5.023 -1.835 1.00 0.00 H ATOM 42 HH12 ARG A 3 14.098 4.221 -1.115 1.00 0.00 H ATOM 43 HH21 ARG A 3 15.468 7.133 0.269 1.00 0.00 H ATOM 44 HH22 ARG A 3 15.649 5.420 0.081 1.00 0.00 H ATOM 45 N GLN A 4 8.956 9.592 -0.197 1.00 0.00 N ATOM 46 CA GLN A 4 8.884 9.926 1.228 1.00 0.00 C ATOM 47 C GLN A 4 7.510 9.620 1.829 1.00 0.00 C ATOM 48 O GLN A 4 7.420 9.148 2.961 1.00 0.00 O ATOM 49 CB GLN A 4 9.237 11.401 1.453 1.00 0.00 C ATOM 50 CG GLN A 4 9.251 11.806 2.921 1.00 0.00 C ATOM 51 CD GLN A 4 9.668 13.251 3.128 1.00 0.00 C ATOM 52 OE1 GLN A 4 9.007 14.174 2.651 1.00 0.00 O ATOM 53 NE2 GLN A 4 10.772 13.457 3.842 1.00 0.00 N ATOM 54 H GLN A 4 8.977 10.316 -0.857 1.00 0.00 H ATOM 55 HA GLN A 4 9.617 9.319 1.737 1.00 0.00 H ATOM 56 HB2 GLN A 4 10.218 11.592 1.040 1.00 0.00 H ATOM 57 HB3 GLN A 4 8.515 12.016 0.938 1.00 0.00 H ATOM 58 HG2 GLN A 4 8.258 11.674 3.326 1.00 0.00 H ATOM 59 HG3 GLN A 4 9.941 11.165 3.452 1.00 0.00 H ATOM 60 HE21 GLN A 4 11.250 12.676 4.195 1.00 0.00 H ATOM 61 HE22 GLN A 4 11.064 14.381 3.986 1.00 0.00 H ATOM 62 N ALA A 5 6.447 9.905 1.078 1.00 0.00 N ATOM 63 CA ALA A 5 5.083 9.674 1.555 1.00 0.00 C ATOM 64 C ALA A 5 4.827 8.203 1.881 1.00 0.00 C ATOM 65 O ALA A 5 4.279 7.885 2.936 1.00 0.00 O ATOM 66 CB ALA A 5 4.075 10.168 0.526 1.00 0.00 C ATOM 67 H ALA A 5 6.581 10.288 0.186 1.00 0.00 H ATOM 68 HA ALA A 5 4.947 10.254 2.454 1.00 0.00 H ATOM 69 HB1 ALA A 5 4.139 9.558 -0.363 1.00 0.00 H ATOM 70 HB2 ALA A 5 4.293 11.196 0.274 1.00 0.00 H ATOM 71 HB3 ALA A 5 3.078 10.101 0.936 1.00 0.00 H ATOM 72 N LYS A 6 5.217 7.315 0.968 1.00 0.00 N ATOM 73 CA LYS A 6 5.017 5.875 1.155 1.00 0.00 C ATOM 74 C LYS A 6 5.884 5.321 2.282 1.00 0.00 C ATOM 75 O LYS A 6 5.379 4.637 3.174 1.00 0.00 O ATOM 76 CB LYS A 6 5.304 5.113 -0.148 1.00 0.00 C ATOM 77 CG LYS A 6 5.300 3.599 0.011 1.00 0.00 C ATOM 78 CD LYS A 6 3.948 3.082 0.475 1.00 0.00 C ATOM 79 CE LYS A 6 4.076 1.733 1.165 1.00 0.00 C ATOM 80 NZ LYS A 6 4.754 1.846 2.457 1.00 0.00 N ATOM 81 H LYS A 6 5.646 7.637 0.146 1.00 0.00 H ATOM 82 HA LYS A 6 3.983 5.727 1.421 1.00 0.00 H ATOM 83 HB2 LYS A 6 4.557 5.379 -0.881 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.276 5.408 -0.516 1.00 0.00 H ATOM 85 HG2 LYS A 6 5.533 3.149 -0.943 1.00 0.00 H ATOM 86 HG3 LYS A 6 6.051 3.319 0.734 1.00 0.00 H ATOM 87 HD2 LYS A 6 3.520 3.791 1.168 1.00 0.00 H ATOM 88 HD3 LYS A 6 3.298 2.977 -0.383 1.00 0.00 H ATOM 89 HE2 LYS A 6 3.087 1.328 1.320 1.00 0.00 H ATOM 90 HE3 LYS A 6 4.642 1.069 0.528 1.00 0.00 H ATOM 91 HZ1 LYS A 6 5.633 2.281 2.470 1.00 0.00 H ATOM 92 N ARG A 7 7.184 5.611 2.235 1.00 0.00 N ATOM 93 CA ARG A 7 8.112 5.123 3.259 1.00 0.00 C ATOM 94 C ARG A 7 7.709 5.599 4.655 1.00 0.00 C ATOM 95 O ARG A 7 7.794 4.841 5.623 1.00 0.00 O ATOM 96 CB ARG A 7 9.548 5.564 2.951 1.00 0.00 C ATOM 97 CG ARG A 7 10.129 4.925 1.699 1.00 0.00 C ATOM 98 CD ARG A 7 11.586 5.317 1.491 1.00 0.00 C ATOM 99 NE ARG A 7 12.438 4.898 2.607 1.00 0.00 N ATOM 100 CZ ARG A 7 12.700 3.625 2.922 1.00 0.00 C ATOM 101 NH1 ARG A 7 12.231 2.630 2.172 1.00 0.00 N ATOM 102 NH2 ARG A 7 13.449 3.348 3.982 1.00 0.00 N ATOM 103 H ARG A 7 7.525 6.157 1.495 1.00 0.00 H ATOM 104 HA ARG A 7 8.071 4.045 3.243 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.565 6.636 2.824 1.00 0.00 H ATOM 106 HB3 ARG A 7 10.178 5.300 3.788 1.00 0.00 H ATOM 107 HG2 ARG A 7 10.065 3.851 1.794 1.00 0.00 H ATOM 108 HG3 ARG A 7 9.553 5.245 0.843 1.00 0.00 H ATOM 109 HD2 ARG A 7 11.944 4.851 0.585 1.00 0.00 H ATOM 110 HD3 ARG A 7 11.645 6.390 1.389 1.00 0.00 H ATOM 111 HE ARG A 7 12.825 5.605 3.165 1.00 0.00 H ATOM 112 HH11 ARG A 7 11.678 2.827 1.363 1.00 0.00 H ATOM 113 HH12 ARG A 7 12.432 1.681 2.419 1.00 0.00 H ATOM 114 HH21 ARG A 7 13.817 4.091 4.542 1.00 0.00 H ATOM 115 HH22 ARG A 7 13.646 2.397 4.222 1.00 0.00 H ATOM 116 N ASN A 8 7.276 6.854 4.750 1.00 0.00 N ATOM 117 CA ASN A 8 6.864 7.438 6.026 1.00 0.00 C ATOM 118 C ASN A 8 5.578 6.799 6.556 1.00 0.00 C ATOM 119 O ASN A 8 5.468 6.524 7.749 1.00 0.00 O ATOM 120 CB ASN A 8 6.679 8.955 5.877 1.00 0.00 C ATOM 121 CG ASN A 8 6.315 9.643 7.184 1.00 0.00 C ATOM 122 OD1 ASN A 8 5.260 9.385 7.764 1.00 0.00 O ATOM 123 ND2 ASN A 8 7.190 10.526 7.654 1.00 0.00 N ATOM 124 H ASN A 8 7.235 7.407 3.941 1.00 0.00 H ATOM 125 HA ASN A 8 7.654 7.255 6.737 1.00 0.00 H ATOM 126 HB2 ASN A 8 7.599 9.386 5.512 1.00 0.00 H ATOM 127 HB3 ASN A 8 5.892 9.146 5.161 1.00 0.00 H ATOM 128 HD21 ASN A 8 8.011 10.683 7.142 1.00 0.00 H ATOM 129 HD22 ASN A 8 6.977 10.986 8.492 1.00 0.00 H ATOM 130 N ARG A 9 4.603 6.585 5.670 1.00 0.00 N ATOM 131 CA ARG A 9 3.316 6.002 6.065 1.00 0.00 C ATOM 132 C ARG A 9 3.426 4.529 6.457 1.00 0.00 C ATOM 133 O ARG A 9 2.837 4.110 7.455 1.00 0.00 O ATOM 134 CB ARG A 9 2.288 6.164 4.946 1.00 0.00 C ATOM 135 CG ARG A 9 1.833 7.600 4.751 1.00 0.00 C ATOM 136 CD ARG A 9 0.861 7.726 3.590 1.00 0.00 C ATOM 137 NE ARG A 9 1.477 7.372 2.310 1.00 0.00 N ATOM 138 CZ ARG A 9 0.849 7.448 1.137 1.00 0.00 C ATOM 139 NH1 ARG A 9 -0.415 7.862 1.076 1.00 0.00 N ATOM 140 NH2 ARG A 9 1.489 7.111 0.021 1.00 0.00 N ATOM 141 H ARG A 9 4.744 6.837 4.732 1.00 0.00 H ATOM 142 HA ARG A 9 2.967 6.553 6.926 1.00 0.00 H ATOM 143 HB2 ARG A 9 2.720 5.813 4.021 1.00 0.00 H ATOM 144 HB3 ARG A 9 1.422 5.563 5.180 1.00 0.00 H ATOM 145 HG2 ARG A 9 1.345 7.937 5.653 1.00 0.00 H ATOM 146 HG3 ARG A 9 2.697 8.219 4.555 1.00 0.00 H ATOM 147 HD2 ARG A 9 0.023 7.068 3.768 1.00 0.00 H ATOM 148 HD3 ARG A 9 0.510 8.747 3.540 1.00 0.00 H ATOM 149 HE ARG A 9 2.408 7.064 2.325 1.00 0.00 H ATOM 150 HH11 ARG A 9 -0.900 8.119 1.913 1.00 0.00 H ATOM 151 HH12 ARG A 9 -0.882 7.918 0.193 1.00 0.00 H ATOM 152 HH21 ARG A 9 2.439 6.801 0.062 1.00 0.00 H ATOM 153 HH22 ARG A 9 1.020 7.167 -0.861 1.00 0.00 H ATOM 154 N ASP A 10 4.165 3.739 5.673 1.00 0.00 N ATOM 155 CA ASP A 10 4.317 2.312 5.962 1.00 0.00 C ATOM 156 C ASP A 10 4.993 2.091 7.310 1.00 0.00 C ATOM 157 O ASP A 10 4.502 1.318 8.131 1.00 0.00 O ATOM 158 CB ASP A 10 5.090 1.599 4.848 1.00 0.00 C ATOM 159 CG ASP A 10 4.245 1.392 3.603 1.00 0.00 C ATOM 160 OD1 ASP A 10 3.150 0.828 3.674 1.00 0.00 O ATOM 161 H ASP A 10 4.610 4.120 4.887 1.00 0.00 H ATOM 162 HA ASP A 10 3.324 1.889 6.014 1.00 0.00 H ATOM 163 HB2 ASP A 10 5.954 2.189 4.581 1.00 0.00 H ATOM 164 HB3 ASP A 10 5.416 0.632 5.205 1.00 0.00 H ATOM 165 N ARG A 11 6.103 2.785 7.546 1.00 0.00 N ATOM 166 CA ARG A 11 6.811 2.663 8.816 1.00 0.00 C ATOM 167 C ARG A 11 5.945 3.217 9.943 1.00 0.00 C ATOM 168 O ARG A 11 5.902 2.665 11.042 1.00 0.00 O ATOM 169 CB ARG A 11 8.161 3.385 8.763 1.00 0.00 C ATOM 170 CG ARG A 11 9.099 2.837 7.696 1.00 0.00 C ATOM 171 CD ARG A 11 10.529 3.319 7.900 1.00 0.00 C ATOM 172 NE ARG A 11 11.191 2.637 9.014 1.00 0.00 N ATOM 173 CZ ARG A 11 11.491 1.333 9.026 1.00 0.00 C ATOM 174 NH1 ARG A 11 11.206 0.559 7.981 1.00 0.00 N ATOM 175 NH2 ARG A 11 12.089 0.801 10.087 1.00 0.00 N ATOM 176 H ARG A 11 6.440 3.402 6.861 1.00 0.00 H ATOM 177 HA ARG A 11 6.979 1.611 8.999 1.00 0.00 H ATOM 178 HB2 ARG A 11 7.989 4.430 8.557 1.00 0.00 H ATOM 179 HB3 ARG A 11 8.646 3.290 9.723 1.00 0.00 H ATOM 180 HG2 ARG A 11 9.083 1.759 7.739 1.00 0.00 H ATOM 181 HG3 ARG A 11 8.754 3.163 6.727 1.00 0.00 H ATOM 182 HD2 ARG A 11 11.089 3.137 6.996 1.00 0.00 H ATOM 183 HD3 ARG A 11 10.510 4.380 8.102 1.00 0.00 H ATOM 184 HE ARG A 11 11.422 3.177 9.798 1.00 0.00 H ATOM 185 HH11 ARG A 11 10.764 0.948 7.173 1.00 0.00 H ATOM 186 HH12 ARG A 11 11.432 -0.415 8.004 1.00 0.00 H ATOM 187 HH21 ARG A 11 12.314 1.375 10.874 1.00 0.00 H ATOM 188 HH22 ARG A 11 12.315 -0.173 10.098 1.00 0.00 H ATOM 189 N ARG A 12 5.233 4.299 9.645 1.00 0.00 N ATOM 190 CA ARG A 12 4.337 4.922 10.613 1.00 0.00 C ATOM 191 C ARG A 12 3.205 3.959 10.983 1.00 0.00 C ATOM 192 O ARG A 12 2.894 3.778 12.159 1.00 0.00 O ATOM 193 CB ARG A 12 3.749 6.215 10.034 1.00 0.00 C ATOM 194 CG ARG A 12 2.870 6.993 11.002 1.00 0.00 C ATOM 195 CD ARG A 12 3.650 8.088 11.715 1.00 0.00 C ATOM 196 NE ARG A 12 2.786 8.914 12.558 1.00 0.00 N ATOM 197 CZ ARG A 12 2.212 8.494 13.689 1.00 0.00 C ATOM 198 NH1 ARG A 12 2.468 7.280 14.172 1.00 0.00 N ATOM 199 NH2 ARG A 12 1.390 9.301 14.349 1.00 0.00 N ATOM 200 H ARG A 12 5.298 4.677 8.742 1.00 0.00 H ATOM 201 HA ARG A 12 4.909 5.155 11.500 1.00 0.00 H ATOM 202 HB2 ARG A 12 4.561 6.860 9.731 1.00 0.00 H ATOM 203 HB3 ARG A 12 3.157 5.969 9.165 1.00 0.00 H ATOM 204 HG2 ARG A 12 2.057 7.444 10.453 1.00 0.00 H ATOM 205 HG3 ARG A 12 2.473 6.309 11.737 1.00 0.00 H ATOM 206 HD2 ARG A 12 4.409 7.631 12.333 1.00 0.00 H ATOM 207 HD3 ARG A 12 4.121 8.717 10.974 1.00 0.00 H ATOM 208 HE ARG A 12 2.602 9.826 12.251 1.00 0.00 H ATOM 209 HH11 ARG A 12 3.094 6.668 13.689 1.00 0.00 H ATOM 210 HH12 ARG A 12 2.037 6.982 15.023 1.00 0.00 H ATOM 211 HH21 ARG A 12 1.201 10.218 13.999 1.00 0.00 H ATOM 212 HH22 ARG A 12 0.958 8.991 15.197 1.00 0.00 H ATOM 213 N LYS A 13 2.595 3.348 9.960 1.00 0.00 N ATOM 214 CA LYS A 13 1.495 2.402 10.156 1.00 0.00 C ATOM 215 C LYS A 13 1.948 1.125 10.865 1.00 0.00 C ATOM 216 O LYS A 13 1.273 0.647 11.771 1.00 0.00 O ATOM 217 CB LYS A 13 0.851 2.046 8.810 1.00 0.00 C ATOM 218 CG LYS A 13 -0.197 3.045 8.338 1.00 0.00 C ATOM 219 CD LYS A 13 -1.610 2.654 8.772 1.00 0.00 C ATOM 220 CE LYS A 13 -1.782 2.647 10.288 1.00 0.00 C ATOM 221 NZ LYS A 13 -1.339 1.394 10.904 1.00 0.00 N ATOM 222 H LYS A 13 2.896 3.540 9.046 1.00 0.00 H ATOM 223 HA LYS A 13 0.757 2.889 10.773 1.00 0.00 H ATOM 224 HB2 LYS A 13 1.625 1.993 8.059 1.00 0.00 H ATOM 225 HB3 LYS A 13 0.381 1.078 8.893 1.00 0.00 H ATOM 226 HG2 LYS A 13 0.035 4.015 8.752 1.00 0.00 H ATOM 227 HG3 LYS A 13 -0.166 3.098 7.260 1.00 0.00 H ATOM 228 HD2 LYS A 13 -2.310 3.358 8.349 1.00 0.00 H ATOM 229 HD3 LYS A 13 -1.826 1.666 8.392 1.00 0.00 H ATOM 230 HE2 LYS A 13 -1.204 3.459 10.704 1.00 0.00 H ATOM 231 HE3 LYS A 13 -2.826 2.800 10.515 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -0.550 0.958 10.528 1.00 0.00 H ATOM 233 N ARG A 14 3.081 0.567 10.444 1.00 0.00 N ATOM 234 CA ARG A 14 3.594 -0.667 11.048 1.00 0.00 C ATOM 235 C ARG A 14 3.899 -0.476 12.533 1.00 0.00 C ATOM 236 O ARG A 14 3.661 -1.371 13.342 1.00 0.00 O ATOM 237 CB ARG A 14 4.839 -1.159 10.298 1.00 0.00 C ATOM 238 CG ARG A 14 4.546 -1.631 8.879 1.00 0.00 C ATOM 239 CD ARG A 14 3.655 -2.868 8.870 1.00 0.00 C ATOM 240 NE ARG A 14 2.939 -3.030 7.600 1.00 0.00 N ATOM 241 CZ ARG A 14 3.523 -3.221 6.410 1.00 0.00 C ATOM 242 NH1 ARG A 14 4.844 -3.349 6.307 1.00 0.00 N ATOM 243 NH2 ARG A 14 2.772 -3.305 5.315 1.00 0.00 N ATOM 244 H ARG A 14 3.578 0.986 9.711 1.00 0.00 H ATOM 245 HA ARG A 14 2.817 -1.415 10.958 1.00 0.00 H ATOM 246 HB2 ARG A 14 5.556 -0.352 10.245 1.00 0.00 H ATOM 247 HB3 ARG A 14 5.275 -1.981 10.846 1.00 0.00 H ATOM 248 HG2 ARG A 14 4.048 -0.840 8.341 1.00 0.00 H ATOM 249 HG3 ARG A 14 5.479 -1.869 8.393 1.00 0.00 H ATOM 250 HD2 ARG A 14 4.270 -3.740 9.038 1.00 0.00 H ATOM 251 HD3 ARG A 14 2.934 -2.782 9.669 1.00 0.00 H ATOM 252 HE ARG A 14 1.961 -2.976 7.634 1.00 0.00 H ATOM 253 HH11 ARG A 14 5.420 -3.308 7.122 1.00 0.00 H ATOM 254 HH12 ARG A 14 5.264 -3.485 5.407 1.00 0.00 H ATOM 255 HH21 ARG A 14 1.778 -3.227 5.383 1.00 0.00 H ATOM 256 HH22 ARG A 14 3.203 -3.442 4.422 1.00 0.00 H ATOM 257 N GLU A 15 4.417 0.696 12.884 1.00 0.00 N ATOM 258 CA GLU A 15 4.745 1.007 14.274 1.00 0.00 C ATOM 259 C GLU A 15 3.478 1.279 15.095 1.00 0.00 C ATOM 260 O GLU A 15 3.320 0.763 16.203 1.00 0.00 O ATOM 261 CB GLU A 15 5.681 2.220 14.329 1.00 0.00 C ATOM 262 CG GLU A 15 6.053 2.656 15.741 1.00 0.00 C ATOM 263 CD GLU A 15 6.993 3.848 15.758 1.00 0.00 C ATOM 264 OE1 GLU A 15 6.600 4.924 15.257 1.00 0.00 O ATOM 265 OE2 GLU A 15 8.123 3.703 16.271 1.00 0.00 O ATOM 266 H GLU A 15 4.577 1.372 12.192 1.00 0.00 H ATOM 267 HA GLU A 15 5.254 0.153 14.693 1.00 0.00 H ATOM 268 HB2 GLU A 15 6.593 1.977 13.801 1.00 0.00 H ATOM 269 HB3 GLU A 15 5.199 3.052 13.833 1.00 0.00 H ATOM 270 HG2 GLU A 15 5.152 2.923 16.269 1.00 0.00 H ATOM 271 HG3 GLU A 15 6.531 1.831 16.245 1.00 0.00 H ATOM 272 N ARG A 16 2.584 2.101 14.540 1.00 0.00 N ATOM 273 CA ARG A 16 1.328 2.466 15.204 1.00 0.00 C ATOM 274 C ARG A 16 0.344 1.297 15.239 1.00 0.00 C ATOM 275 O ARG A 16 -0.146 0.915 16.302 1.00 0.00 O ATOM 276 CB ARG A 16 0.688 3.651 14.470 1.00 0.00 C ATOM 277 CG ARG A 16 0.573 4.914 15.307 1.00 0.00 C ATOM 278 CD ARG A 16 -0.574 4.839 16.302 1.00 0.00 C ATOM 279 NE ARG A 16 -0.754 6.106 17.014 1.00 0.00 N ATOM 280 CZ ARG A 16 -1.714 6.332 17.916 1.00 0.00 C ATOM 281 NH1 ARG A 16 -2.590 5.380 18.228 1.00 0.00 N ATOM 282 NH2 ARG A 16 -1.798 7.520 18.506 1.00 0.00 N ATOM 283 H ARG A 16 2.778 2.480 13.658 1.00 0.00 H ATOM 284 HA ARG A 16 1.557 2.761 16.214 1.00 0.00 H ATOM 285 HB2 ARG A 16 1.282 3.881 13.600 1.00 0.00 H ATOM 286 HB3 ARG A 16 -0.303 3.368 14.148 1.00 0.00 H ATOM 287 HG2 ARG A 16 1.494 5.055 15.851 1.00 0.00 H ATOM 288 HG3 ARG A 16 0.411 5.754 14.648 1.00 0.00 H ATOM 289 HD2 ARG A 16 -1.485 4.603 15.770 1.00 0.00 H ATOM 290 HD3 ARG A 16 -0.364 4.060 17.020 1.00 0.00 H ATOM 291 HE ARG A 16 -0.127 6.830 16.807 1.00 0.00 H ATOM 292 HH11 ARG A 16 -2.536 4.483 17.789 1.00 0.00 H ATOM 293 HH12 ARG A 16 -3.304 5.561 18.905 1.00 0.00 H ATOM 294 HH21 ARG A 16 -1.144 8.241 18.275 1.00 0.00 H ATOM 295 HH22 ARG A 16 -2.515 7.694 19.182 1.00 0.00 H ATOM 296 N ASP A 17 0.054 0.753 14.061 1.00 0.00 N ATOM 297 CA ASP A 17 -0.881 -0.361 13.917 1.00 0.00 C ATOM 298 C ASP A 17 -0.262 -1.678 14.387 1.00 0.00 C ATOM 299 O ASP A 17 -0.851 -2.398 15.192 1.00 0.00 O ATOM 300 CB ASP A 17 -1.333 -0.473 12.455 1.00 0.00 C ATOM 301 CG ASP A 17 -1.945 0.823 11.946 1.00 0.00 C ATOM 302 OD1 ASP A 17 -2.942 1.304 12.488 1.00 0.00 O ATOM 303 H ASP A 17 0.476 1.123 13.258 1.00 0.00 H ATOM 304 HA ASP A 17 -1.743 -0.148 14.531 1.00 0.00 H ATOM 305 HB2 ASP A 17 -0.481 -0.714 11.838 1.00 0.00 H ATOM 306 HB3 ASP A 17 -2.067 -1.258 12.368 1.00 0.00 H HETATM 307 N NH2 A 18 0.930 -1.995 13.886 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.346 -1.378 13.248 1.00 0.00 H HETATM 309 HN2 NH2 A 18 1.344 -2.835 14.178 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 8 HETATM 1 C ACE A 1 6.400 11.564 -2.721 1.00 0.00 C HETATM 2 O ACE A 1 6.147 11.290 -1.546 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.955 12.804 -3.060 1.00 0.00 C HETATM 4 H1 ACE A 1 6.894 13.469 -2.210 1.00 0.00 H HETATM 5 H2 ACE A 1 6.411 13.227 -3.890 1.00 0.00 H HETATM 6 H3 ACE A 1 7.987 12.671 -3.344 1.00 0.00 H ATOM 7 N THR A 2 6.167 10.719 -3.724 1.00 0.00 N ATOM 8 CA THR A 2 5.591 9.395 -3.504 1.00 0.00 C ATOM 9 C THR A 2 6.510 8.523 -2.649 1.00 0.00 C ATOM 10 O THR A 2 6.051 7.842 -1.730 1.00 0.00 O ATOM 11 CB THR A 2 5.313 8.683 -4.844 1.00 0.00 C ATOM 12 OG1 THR A 2 4.367 9.437 -5.613 1.00 0.00 O ATOM 13 CG2 THR A 2 4.779 7.275 -4.619 1.00 0.00 C ATOM 14 H THR A 2 6.389 10.994 -4.639 1.00 0.00 H ATOM 15 HA THR A 2 4.652 9.523 -2.987 1.00 0.00 H ATOM 16 HB THR A 2 6.240 8.619 -5.394 1.00 0.00 H ATOM 17 HG1 THR A 2 4.780 9.733 -6.428 1.00 0.00 H ATOM 18 HG21 THR A 2 4.072 7.284 -3.803 1.00 0.00 H ATOM 19 HG22 THR A 2 5.598 6.614 -4.378 1.00 0.00 H ATOM 20 HG23 THR A 2 4.290 6.929 -5.517 1.00 0.00 H ATOM 21 N ARG A 3 7.808 8.549 -2.957 1.00 0.00 N ATOM 22 CA ARG A 3 8.794 7.761 -2.216 1.00 0.00 C ATOM 23 C ARG A 3 8.791 8.128 -0.732 1.00 0.00 C ATOM 24 O ARG A 3 8.873 7.253 0.128 1.00 0.00 O ATOM 25 CB ARG A 3 10.197 7.941 -2.820 1.00 0.00 C ATOM 26 CG ARG A 3 10.716 9.375 -2.807 1.00 0.00 C ATOM 27 CD ARG A 3 11.465 9.703 -1.519 1.00 0.00 C ATOM 28 NE ARG A 3 12.707 8.940 -1.389 1.00 0.00 N ATOM 29 CZ ARG A 3 13.775 9.099 -2.178 1.00 0.00 C ATOM 30 NH1 ARG A 3 13.779 10.022 -3.139 1.00 0.00 N ATOM 31 NH2 ARG A 3 14.849 8.339 -1.996 1.00 0.00 N ATOM 32 H ARG A 3 8.109 9.112 -3.700 1.00 0.00 H ATOM 33 HA ARG A 3 8.510 6.724 -2.308 1.00 0.00 H ATOM 34 HB2 ARG A 3 10.892 7.330 -2.264 1.00 0.00 H ATOM 35 HB3 ARG A 3 10.178 7.601 -3.844 1.00 0.00 H ATOM 36 HG2 ARG A 3 11.386 9.510 -3.642 1.00 0.00 H ATOM 37 HG3 ARG A 3 9.879 10.050 -2.906 1.00 0.00 H ATOM 38 HD2 ARG A 3 11.701 10.756 -1.515 1.00 0.00 H ATOM 39 HD3 ARG A 3 10.828 9.477 -0.679 1.00 0.00 H ATOM 40 HE ARG A 3 12.746 8.264 -0.680 1.00 0.00 H ATOM 41 HH11 ARG A 3 12.980 10.607 -3.278 1.00 0.00 H ATOM 42 HH12 ARG A 3 14.583 10.130 -3.724 1.00 0.00 H ATOM 43 HH21 ARG A 3 14.858 7.650 -1.270 1.00 0.00 H ATOM 44 HH22 ARG A 3 15.650 8.456 -2.583 1.00 0.00 H ATOM 45 N GLN A 4 8.690 9.425 -0.440 1.00 0.00 N ATOM 46 CA GLN A 4 8.672 9.906 0.941 1.00 0.00 C ATOM 47 C GLN A 4 7.356 9.556 1.635 1.00 0.00 C ATOM 48 O GLN A 4 7.351 9.140 2.795 1.00 0.00 O ATOM 49 CB GLN A 4 8.898 11.421 0.982 1.00 0.00 C ATOM 50 CG GLN A 4 8.965 11.992 2.394 1.00 0.00 C ATOM 51 CD GLN A 4 9.211 13.497 2.443 1.00 0.00 C ATOM 52 OE1 GLN A 4 9.282 14.078 3.526 1.00 0.00 O ATOM 53 NE2 GLN A 4 9.347 14.145 1.284 1.00 0.00 N ATOM 54 H GLN A 4 8.623 10.074 -1.171 1.00 0.00 H ATOM 55 HA GLN A 4 9.478 9.420 1.467 1.00 0.00 H ATOM 56 HB2 GLN A 4 9.828 11.649 0.481 1.00 0.00 H ATOM 57 HB3 GLN A 4 8.088 11.908 0.458 1.00 0.00 H ATOM 58 HG2 GLN A 4 8.030 11.787 2.892 1.00 0.00 H ATOM 59 HG3 GLN A 4 9.764 11.496 2.925 1.00 0.00 H ATOM 60 HE21 GLN A 4 9.284 13.636 0.451 1.00 0.00 H ATOM 61 HE22 GLN A 4 9.505 15.111 1.314 1.00 0.00 H ATOM 62 N ALA A 5 6.244 9.732 0.919 1.00 0.00 N ATOM 63 CA ALA A 5 4.918 9.442 1.463 1.00 0.00 C ATOM 64 C ALA A 5 4.761 7.964 1.811 1.00 0.00 C ATOM 65 O ALA A 5 4.237 7.625 2.872 1.00 0.00 O ATOM 66 CB ALA A 5 3.836 9.873 0.483 1.00 0.00 C ATOM 67 H ALA A 5 6.318 10.069 0.002 1.00 0.00 H ATOM 68 HA ALA A 5 4.800 10.022 2.365 1.00 0.00 H ATOM 69 HB1 ALA A 5 2.864 9.680 0.913 1.00 0.00 H ATOM 70 HB2 ALA A 5 3.939 9.315 -0.436 1.00 0.00 H ATOM 71 HB3 ALA A 5 3.936 10.928 0.277 1.00 0.00 H ATOM 72 N LYS A 6 5.217 7.089 0.913 1.00 0.00 N ATOM 73 CA LYS A 6 5.125 5.646 1.133 1.00 0.00 C ATOM 74 C LYS A 6 6.012 5.205 2.297 1.00 0.00 C ATOM 75 O LYS A 6 5.576 4.454 3.169 1.00 0.00 O ATOM 76 CB LYS A 6 5.513 4.878 -0.136 1.00 0.00 C ATOM 77 CG LYS A 6 5.495 3.369 0.047 1.00 0.00 C ATOM 78 CD LYS A 6 4.103 2.866 0.399 1.00 0.00 C ATOM 79 CE LYS A 6 4.156 1.525 1.114 1.00 0.00 C ATOM 80 NZ LYS A 6 4.781 1.635 2.434 1.00 0.00 N ATOM 81 H LYS A 6 5.624 7.424 0.086 1.00 0.00 H ATOM 82 HA LYS A 6 4.099 5.417 1.377 1.00 0.00 H ATOM 83 HB2 LYS A 6 4.820 5.133 -0.925 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.508 5.173 -0.433 1.00 0.00 H ATOM 85 HG2 LYS A 6 5.814 2.901 -0.873 1.00 0.00 H ATOM 86 HG3 LYS A 6 6.177 3.104 0.842 1.00 0.00 H ATOM 87 HD2 LYS A 6 3.622 3.586 1.044 1.00 0.00 H ATOM 88 HD3 LYS A 6 3.530 2.756 -0.510 1.00 0.00 H ATOM 89 HE2 LYS A 6 3.147 1.156 1.232 1.00 0.00 H ATOM 90 HE3 LYS A 6 4.724 0.833 0.512 1.00 0.00 H ATOM 91 HZ1 LYS A 6 5.676 2.032 2.479 1.00 0.00 H ATOM 92 N ARG A 7 7.259 5.677 2.296 1.00 0.00 N ATOM 93 CA ARG A 7 8.222 5.339 3.346 1.00 0.00 C ATOM 94 C ARG A 7 7.677 5.677 4.733 1.00 0.00 C ATOM 95 O ARG A 7 7.786 4.879 5.664 1.00 0.00 O ATOM 96 CB ARG A 7 9.538 6.089 3.110 1.00 0.00 C ATOM 97 CG ARG A 7 10.303 5.617 1.882 1.00 0.00 C ATOM 98 CD ARG A 7 11.308 4.527 2.224 1.00 0.00 C ATOM 99 NE ARG A 7 12.394 5.029 3.070 1.00 0.00 N ATOM 100 CZ ARG A 7 13.291 5.946 2.683 1.00 0.00 C ATOM 101 NH1 ARG A 7 13.276 6.432 1.442 1.00 0.00 N ATOM 102 NH2 ARG A 7 14.217 6.366 3.538 1.00 0.00 N ATOM 103 H ARG A 7 7.539 6.270 1.567 1.00 0.00 H ATOM 104 HA ARG A 7 8.409 4.279 3.295 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.323 7.140 2.990 1.00 0.00 H ATOM 106 HB3 ARG A 7 10.173 5.958 3.975 1.00 0.00 H ATOM 107 HG2 ARG A 7 9.599 5.226 1.162 1.00 0.00 H ATOM 108 HG3 ARG A 7 10.827 6.458 1.454 1.00 0.00 H ATOM 109 HD2 ARG A 7 10.796 3.733 2.747 1.00 0.00 H ATOM 110 HD3 ARG A 7 11.728 4.141 1.307 1.00 0.00 H ATOM 111 HE ARG A 7 12.451 4.677 3.983 1.00 0.00 H ATOM 112 HH11 ARG A 7 12.592 6.114 0.785 1.00 0.00 H ATOM 113 HH12 ARG A 7 13.949 7.119 1.166 1.00 0.00 H ATOM 114 HH21 ARG A 7 14.242 5.999 4.468 1.00 0.00 H ATOM 115 HH22 ARG A 7 14.887 7.052 3.253 1.00 0.00 H ATOM 116 N ASN A 8 7.096 6.869 4.860 1.00 0.00 N ATOM 117 CA ASN A 8 6.536 7.329 6.129 1.00 0.00 C ATOM 118 C ASN A 8 5.215 6.628 6.458 1.00 0.00 C ATOM 119 O ASN A 8 4.963 6.280 7.610 1.00 0.00 O ATOM 120 CB ASN A 8 6.323 8.847 6.086 1.00 0.00 C ATOM 121 CG ASN A 8 5.835 9.411 7.410 1.00 0.00 C ATOM 122 OD1 ASN A 8 4.733 9.099 7.865 1.00 0.00 O ATOM 123 ND2 ASN A 8 6.656 10.246 8.039 1.00 0.00 N ATOM 124 H ASN A 8 7.046 7.458 4.078 1.00 0.00 H ATOM 125 HA ASN A 8 7.249 7.101 6.905 1.00 0.00 H ATOM 126 HB2 ASN A 8 7.256 9.327 5.836 1.00 0.00 H ATOM 127 HB3 ASN A 8 5.591 9.078 5.326 1.00 0.00 H ATOM 128 HD21 ASN A 8 7.519 10.451 7.621 1.00 0.00 H ATOM 129 HD22 ASN A 8 6.365 10.625 8.895 1.00 0.00 H ATOM 130 N ARG A 9 4.370 6.445 5.444 1.00 0.00 N ATOM 131 CA ARG A 9 3.063 5.811 5.625 1.00 0.00 C ATOM 132 C ARG A 9 3.187 4.382 6.152 1.00 0.00 C ATOM 133 O ARG A 9 2.511 4.010 7.112 1.00 0.00 O ATOM 134 CB ARG A 9 2.290 5.820 4.302 1.00 0.00 C ATOM 135 CG ARG A 9 0.910 5.187 4.389 1.00 0.00 C ATOM 136 CD ARG A 9 0.107 5.413 3.116 1.00 0.00 C ATOM 137 NE ARG A 9 0.763 4.854 1.932 1.00 0.00 N ATOM 138 CZ ARG A 9 0.267 4.940 0.694 1.00 0.00 C ATOM 139 NH1 ARG A 9 -0.891 5.559 0.471 1.00 0.00 N ATOM 140 NH2 ARG A 9 0.931 4.409 -0.327 1.00 0.00 N ATOM 141 H ARG A 9 4.625 6.755 4.551 1.00 0.00 H ATOM 142 HA ARG A 9 2.515 6.396 6.348 1.00 0.00 H ATOM 143 HB2 ARG A 9 2.171 6.842 3.975 1.00 0.00 H ATOM 144 HB3 ARG A 9 2.863 5.281 3.561 1.00 0.00 H ATOM 145 HG2 ARG A 9 1.022 4.125 4.548 1.00 0.00 H ATOM 146 HG3 ARG A 9 0.378 5.623 5.222 1.00 0.00 H ATOM 147 HD2 ARG A 9 -0.861 4.948 3.231 1.00 0.00 H ATOM 148 HD3 ARG A 9 -0.023 6.477 2.975 1.00 0.00 H ATOM 149 HE ARG A 9 1.617 4.390 2.063 1.00 0.00 H ATOM 150 HH11 ARG A 9 -1.399 5.963 1.232 1.00 0.00 H ATOM 151 HH12 ARG A 9 -1.254 5.618 -0.459 1.00 0.00 H ATOM 152 HH21 ARG A 9 1.802 3.944 -0.169 1.00 0.00 H ATOM 153 HH22 ARG A 9 0.561 4.474 -1.254 1.00 0.00 H ATOM 154 N ASP A 10 4.041 3.584 5.513 1.00 0.00 N ATOM 155 CA ASP A 10 4.235 2.188 5.914 1.00 0.00 C ATOM 156 C ASP A 10 4.953 2.064 7.262 1.00 0.00 C ATOM 157 O ASP A 10 4.546 1.270 8.110 1.00 0.00 O ATOM 158 CB ASP A 10 5.009 1.416 4.839 1.00 0.00 C ATOM 159 CG ASP A 10 4.205 1.225 3.563 1.00 0.00 C ATOM 160 OD1 ASP A 10 3.087 0.708 3.596 1.00 0.00 O ATOM 161 H ASP A 10 4.544 3.940 4.748 1.00 0.00 H ATOM 162 HA ASP A 10 3.255 1.745 6.012 1.00 0.00 H ATOM 163 HB2 ASP A 10 5.911 1.958 4.596 1.00 0.00 H ATOM 164 HB3 ASP A 10 5.273 0.442 5.226 1.00 0.00 H ATOM 165 N ARG A 11 6.025 2.834 7.448 1.00 0.00 N ATOM 166 CA ARG A 11 6.802 2.790 8.690 1.00 0.00 C ATOM 167 C ARG A 11 6.010 3.324 9.883 1.00 0.00 C ATOM 168 O ARG A 11 5.953 2.688 10.935 1.00 0.00 O ATOM 169 CB ARG A 11 8.102 3.587 8.525 1.00 0.00 C ATOM 170 CG ARG A 11 8.890 3.766 9.816 1.00 0.00 C ATOM 171 CD ARG A 11 9.245 2.433 10.462 1.00 0.00 C ATOM 172 NE ARG A 11 10.107 1.612 9.610 1.00 0.00 N ATOM 173 CZ ARG A 11 10.582 0.414 9.964 1.00 0.00 C ATOM 174 NH1 ARG A 11 10.285 -0.107 11.152 1.00 0.00 N ATOM 175 NH2 ARG A 11 11.358 -0.265 9.126 1.00 0.00 N ATOM 176 H ARG A 11 6.307 3.441 6.731 1.00 0.00 H ATOM 177 HA ARG A 11 7.052 1.758 8.882 1.00 0.00 H ATOM 178 HB2 ARG A 11 8.733 3.077 7.813 1.00 0.00 H ATOM 179 HB3 ARG A 11 7.860 4.567 8.138 1.00 0.00 H ATOM 180 HG2 ARG A 11 9.803 4.298 9.595 1.00 0.00 H ATOM 181 HG3 ARG A 11 8.297 4.344 10.509 1.00 0.00 H ATOM 182 HD2 ARG A 11 9.757 2.626 11.393 1.00 0.00 H ATOM 183 HD3 ARG A 11 8.331 1.892 10.662 1.00 0.00 H ATOM 184 HE ARG A 11 10.345 1.969 8.729 1.00 0.00 H ATOM 185 HH11 ARG A 11 9.702 0.396 11.790 1.00 0.00 H ATOM 186 HH12 ARG A 11 10.647 -1.003 11.409 1.00 0.00 H ATOM 187 HH21 ARG A 11 11.585 0.120 8.232 1.00 0.00 H ATOM 188 HH22 ARG A 11 11.716 -1.160 9.390 1.00 0.00 H ATOM 189 N ARG A 12 5.416 4.497 9.718 1.00 0.00 N ATOM 190 CA ARG A 12 4.645 5.122 10.790 1.00 0.00 C ATOM 191 C ARG A 12 3.514 4.211 11.269 1.00 0.00 C ATOM 192 O ARG A 12 3.363 3.981 12.474 1.00 0.00 O ATOM 193 CB ARG A 12 4.084 6.467 10.315 1.00 0.00 C ATOM 194 CG ARG A 12 3.437 7.295 11.413 1.00 0.00 C ATOM 195 CD ARG A 12 3.035 8.671 10.901 1.00 0.00 C ATOM 196 NE ARG A 12 2.429 9.500 11.944 1.00 0.00 N ATOM 197 CZ ARG A 12 1.220 9.284 12.471 1.00 0.00 C ATOM 198 NH1 ARG A 12 0.452 8.292 12.027 1.00 0.00 N ATOM 199 NH2 ARG A 12 0.769 10.078 13.436 1.00 0.00 N ATOM 200 H ARG A 12 5.507 4.961 8.859 1.00 0.00 H ATOM 201 HA ARG A 12 5.318 5.299 11.616 1.00 0.00 H ATOM 202 HB2 ARG A 12 4.889 7.046 9.889 1.00 0.00 H ATOM 203 HB3 ARG A 12 3.343 6.283 9.551 1.00 0.00 H ATOM 204 HG2 ARG A 12 2.558 6.782 11.768 1.00 0.00 H ATOM 205 HG3 ARG A 12 4.140 7.414 12.224 1.00 0.00 H ATOM 206 HD2 ARG A 12 3.916 9.171 10.527 1.00 0.00 H ATOM 207 HD3 ARG A 12 2.326 8.546 10.096 1.00 0.00 H ATOM 208 HE ARG A 12 2.957 10.254 12.281 1.00 0.00 H ATOM 209 HH11 ARG A 12 0.776 7.696 11.292 1.00 0.00 H ATOM 210 HH12 ARG A 12 -0.450 8.141 12.430 1.00 0.00 H ATOM 211 HH21 ARG A 12 1.335 10.833 13.769 1.00 0.00 H ATOM 212 HH22 ARG A 12 -0.136 9.921 13.831 1.00 0.00 H ATOM 213 N LYS A 13 2.719 3.692 10.328 1.00 0.00 N ATOM 214 CA LYS A 13 1.606 2.812 10.678 1.00 0.00 C ATOM 215 C LYS A 13 2.100 1.489 11.255 1.00 0.00 C ATOM 216 O LYS A 13 1.435 0.900 12.095 1.00 0.00 O ATOM 217 CB LYS A 13 0.685 2.566 9.468 1.00 0.00 C ATOM 218 CG LYS A 13 1.255 1.639 8.397 1.00 0.00 C ATOM 219 CD LYS A 13 1.227 0.159 8.795 1.00 0.00 C ATOM 220 CE LYS A 13 -0.187 -0.384 8.972 1.00 0.00 C ATOM 221 NZ LYS A 13 -0.777 -0.067 10.280 1.00 0.00 N ATOM 222 H LYS A 13 2.884 3.908 9.385 1.00 0.00 H ATOM 223 HA LYS A 13 1.035 3.316 11.443 1.00 0.00 H ATOM 224 HB2 LYS A 13 -0.240 2.144 9.819 1.00 0.00 H ATOM 225 HB3 LYS A 13 0.472 3.519 9.004 1.00 0.00 H ATOM 226 HG2 LYS A 13 0.678 1.761 7.493 1.00 0.00 H ATOM 227 HG3 LYS A 13 2.278 1.927 8.205 1.00 0.00 H ATOM 228 HD2 LYS A 13 1.717 -0.414 8.022 1.00 0.00 H ATOM 229 HD3 LYS A 13 1.763 0.032 9.719 1.00 0.00 H ATOM 230 HE2 LYS A 13 -0.815 0.036 8.201 1.00 0.00 H ATOM 231 HE3 LYS A 13 -0.156 -1.459 8.856 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -1.200 0.810 10.384 1.00 0.00 H ATOM 233 N ARG A 14 3.259 1.012 10.793 1.00 0.00 N ATOM 234 CA ARG A 14 3.800 -0.258 11.279 1.00 0.00 C ATOM 235 C ARG A 14 4.085 -0.185 12.776 1.00 0.00 C ATOM 236 O ARG A 14 3.801 -1.126 13.515 1.00 0.00 O ATOM 237 CB ARG A 14 5.073 -0.634 10.513 1.00 0.00 C ATOM 238 CG ARG A 14 5.542 -2.066 10.744 1.00 0.00 C ATOM 239 CD ARG A 14 6.864 -2.124 11.502 1.00 0.00 C ATOM 240 NE ARG A 14 6.713 -1.819 12.925 1.00 0.00 N ATOM 241 CZ ARG A 14 6.119 -2.627 13.810 1.00 0.00 C ATOM 242 NH1 ARG A 14 5.627 -3.806 13.432 1.00 0.00 N ATOM 243 NH2 ARG A 14 6.022 -2.255 15.081 1.00 0.00 N ATOM 244 H ARG A 14 3.750 1.515 10.109 1.00 0.00 H ATOM 245 HA ARG A 14 3.046 -1.015 11.111 1.00 0.00 H ATOM 246 HB2 ARG A 14 4.889 -0.508 9.457 1.00 0.00 H ATOM 247 HB3 ARG A 14 5.868 0.035 10.811 1.00 0.00 H ATOM 248 HG2 ARG A 14 4.791 -2.591 11.315 1.00 0.00 H ATOM 249 HG3 ARG A 14 5.667 -2.550 9.786 1.00 0.00 H ATOM 250 HD2 ARG A 14 7.274 -3.117 11.402 1.00 0.00 H ATOM 251 HD3 ARG A 14 7.546 -1.410 11.062 1.00 0.00 H ATOM 252 HE ARG A 14 7.071 -0.963 13.240 1.00 0.00 H ATOM 253 HH11 ARG A 14 5.699 -4.099 12.478 1.00 0.00 H ATOM 254 HH12 ARG A 14 5.183 -4.400 14.103 1.00 0.00 H ATOM 255 HH21 ARG A 14 6.394 -1.374 15.375 1.00 0.00 H ATOM 256 HH22 ARG A 14 5.576 -2.855 15.746 1.00 0.00 H ATOM 257 N GLU A 15 4.635 0.943 13.218 1.00 0.00 N ATOM 258 CA GLU A 15 4.941 1.138 14.630 1.00 0.00 C ATOM 259 C GLU A 15 3.657 1.213 15.456 1.00 0.00 C ATOM 260 O GLU A 15 3.584 0.657 16.553 1.00 0.00 O ATOM 261 CB GLU A 15 5.770 2.410 14.832 1.00 0.00 C ATOM 262 CG GLU A 15 7.073 2.428 14.043 1.00 0.00 C ATOM 263 CD GLU A 15 7.987 1.263 14.384 1.00 0.00 C ATOM 264 OE1 GLU A 15 8.324 1.097 15.576 1.00 0.00 O ATOM 265 OE2 GLU A 15 8.371 0.520 13.456 1.00 0.00 O ATOM 266 H GLU A 15 4.830 1.663 12.583 1.00 0.00 H ATOM 267 HA GLU A 15 5.516 0.289 14.963 1.00 0.00 H ATOM 268 HB2 GLU A 15 5.179 3.262 14.530 1.00 0.00 H ATOM 269 HB3 GLU A 15 6.010 2.505 15.882 1.00 0.00 H ATOM 270 HG2 GLU A 15 6.841 2.384 12.990 1.00 0.00 H ATOM 271 HG3 GLU A 15 7.595 3.349 14.256 1.00 0.00 H ATOM 272 N ARG A 16 2.649 1.910 14.921 1.00 0.00 N ATOM 273 CA ARG A 16 1.366 2.068 15.610 1.00 0.00 C ATOM 274 C ARG A 16 0.475 0.832 15.448 1.00 0.00 C ATOM 275 O ARG A 16 0.122 0.182 16.434 1.00 0.00 O ATOM 276 CB ARG A 16 0.634 3.306 15.083 1.00 0.00 C ATOM 277 CG ARG A 16 1.438 4.592 15.213 1.00 0.00 C ATOM 278 CD ARG A 16 0.729 5.783 14.578 1.00 0.00 C ATOM 279 NE ARG A 16 0.439 5.570 13.157 1.00 0.00 N ATOM 280 CZ ARG A 16 -0.633 4.921 12.691 1.00 0.00 C ATOM 281 NH1 ARG A 16 -1.584 4.491 13.517 1.00 0.00 N ATOM 282 NH2 ARG A 16 -0.769 4.728 11.384 1.00 0.00 N ATOM 283 H ARG A 16 2.774 2.332 14.044 1.00 0.00 H ATOM 284 HA ARG A 16 1.573 2.207 16.659 1.00 0.00 H ATOM 285 HB2 ARG A 16 0.402 3.154 14.040 1.00 0.00 H ATOM 286 HB3 ARG A 16 -0.287 3.426 15.634 1.00 0.00 H ATOM 287 HG2 ARG A 16 1.594 4.801 16.260 1.00 0.00 H ATOM 288 HG3 ARG A 16 2.394 4.455 14.727 1.00 0.00 H ATOM 289 HD2 ARG A 16 -0.199 5.955 15.102 1.00 0.00 H ATOM 290 HD3 ARG A 16 1.361 6.653 14.678 1.00 0.00 H ATOM 291 HE ARG A 16 1.095 5.908 12.514 1.00 0.00 H ATOM 292 HH11 ARG A 16 -1.507 4.652 14.500 1.00 0.00 H ATOM 293 HH12 ARG A 16 -2.378 4.003 13.154 1.00 0.00 H ATOM 294 HH21 ARG A 16 -0.072 5.069 10.752 1.00 0.00 H ATOM 295 HH22 ARG A 16 -1.566 4.239 11.030 1.00 0.00 H ATOM 296 N ASP A 17 0.110 0.524 14.202 1.00 0.00 N ATOM 297 CA ASP A 17 -0.749 -0.625 13.904 1.00 0.00 C ATOM 298 C ASP A 17 0.049 -1.931 13.885 1.00 0.00 C ATOM 299 O ASP A 17 -0.443 -2.976 14.311 1.00 0.00 O ATOM 300 CB ASP A 17 -1.511 -0.411 12.575 1.00 0.00 C ATOM 301 CG ASP A 17 -0.806 -0.917 11.314 1.00 0.00 C ATOM 302 OD1 ASP A 17 -0.349 -2.059 11.251 1.00 0.00 O ATOM 303 H ASP A 17 0.422 1.088 13.465 1.00 0.00 H ATOM 304 HA ASP A 17 -1.474 -0.692 14.703 1.00 0.00 H ATOM 305 HB2 ASP A 17 -2.466 -0.908 12.639 1.00 0.00 H ATOM 306 HB3 ASP A 17 -1.680 0.648 12.454 1.00 0.00 H HETATM 307 N NH2 A 18 1.283 -1.872 13.397 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.612 -1.008 13.074 1.00 0.00 H HETATM 309 HN2 NH2 A 18 1.814 -2.694 13.382 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 9 HETATM 1 C ACE A 1 6.271 11.351 -2.774 1.00 0.00 C HETATM 2 O ACE A 1 5.823 10.981 -1.687 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.726 12.665 -2.943 1.00 0.00 C HETATM 4 H1 ACE A 1 7.378 12.925 -2.120 1.00 0.00 H HETATM 5 H2 ACE A 1 5.884 13.339 -2.964 1.00 0.00 H HETATM 6 H3 ACE A 1 7.267 12.746 -3.872 1.00 0.00 H ATOM 7 N THR A 2 6.347 10.544 -3.835 1.00 0.00 N ATOM 8 CA THR A 2 5.901 9.154 -3.780 1.00 0.00 C ATOM 9 C THR A 2 6.722 8.344 -2.774 1.00 0.00 C ATOM 10 O THR A 2 6.166 7.563 -2.000 1.00 0.00 O ATOM 11 CB THR A 2 5.974 8.483 -5.172 1.00 0.00 C ATOM 12 OG1 THR A 2 5.411 7.162 -5.120 1.00 0.00 O ATOM 13 CG2 THR A 2 7.410 8.410 -5.679 1.00 0.00 C ATOM 14 H THR A 2 6.710 10.894 -4.676 1.00 0.00 H ATOM 15 HA THR A 2 4.869 9.153 -3.461 1.00 0.00 H ATOM 16 HB THR A 2 5.397 9.080 -5.865 1.00 0.00 H ATOM 17 HG1 THR A 2 5.978 6.587 -4.600 1.00 0.00 H ATOM 18 HG21 THR A 2 7.883 9.373 -5.559 1.00 0.00 H ATOM 19 HG22 THR A 2 7.409 8.137 -6.724 1.00 0.00 H ATOM 20 HG23 THR A 2 7.955 7.669 -5.114 1.00 0.00 H ATOM 21 N ARG A 3 8.043 8.539 -2.786 1.00 0.00 N ATOM 22 CA ARG A 3 8.930 7.829 -1.868 1.00 0.00 C ATOM 23 C ARG A 3 8.705 8.285 -0.425 1.00 0.00 C ATOM 24 O ARG A 3 8.690 7.465 0.493 1.00 0.00 O ATOM 25 CB ARG A 3 10.397 8.009 -2.278 1.00 0.00 C ATOM 26 CG ARG A 3 11.385 7.374 -1.309 1.00 0.00 C ATOM 27 CD ARG A 3 12.623 6.846 -2.021 1.00 0.00 C ATOM 28 NE ARG A 3 12.315 5.703 -2.886 1.00 0.00 N ATOM 29 CZ ARG A 3 13.234 4.997 -3.554 1.00 0.00 C ATOM 30 NH1 ARG A 3 14.526 5.302 -3.459 1.00 0.00 N ATOM 31 NH2 ARG A 3 12.856 3.975 -4.316 1.00 0.00 N ATOM 32 H ARG A 3 8.426 9.180 -3.421 1.00 0.00 H ATOM 33 HA ARG A 3 8.681 6.781 -1.930 1.00 0.00 H ATOM 34 HB2 ARG A 3 10.543 7.562 -3.252 1.00 0.00 H ATOM 35 HB3 ARG A 3 10.615 9.065 -2.342 1.00 0.00 H ATOM 36 HG2 ARG A 3 11.692 8.117 -0.587 1.00 0.00 H ATOM 37 HG3 ARG A 3 10.897 6.557 -0.800 1.00 0.00 H ATOM 38 HD2 ARG A 3 13.044 7.637 -2.623 1.00 0.00 H ATOM 39 HD3 ARG A 3 13.344 6.538 -1.278 1.00 0.00 H ATOM 40 HE ARG A 3 11.373 5.447 -2.974 1.00 0.00 H ATOM 41 HH11 ARG A 3 14.823 6.065 -2.886 1.00 0.00 H ATOM 42 HH12 ARG A 3 15.204 4.766 -3.963 1.00 0.00 H ATOM 43 HH21 ARG A 3 11.888 3.737 -4.389 1.00 0.00 H ATOM 44 HH22 ARG A 3 13.541 3.445 -4.818 1.00 0.00 H ATOM 45 N GLN A 4 8.509 9.593 -0.237 1.00 0.00 N ATOM 46 CA GLN A 4 8.260 10.152 1.093 1.00 0.00 C ATOM 47 C GLN A 4 6.977 9.570 1.686 1.00 0.00 C ATOM 48 O GLN A 4 6.948 9.174 2.851 1.00 0.00 O ATOM 49 CB GLN A 4 8.163 11.683 1.011 1.00 0.00 C ATOM 50 CG GLN A 4 7.921 12.382 2.348 1.00 0.00 C ATOM 51 CD GLN A 4 6.528 12.144 2.910 1.00 0.00 C ATOM 52 OE1 GLN A 4 5.524 12.357 2.227 1.00 0.00 O ATOM 53 NE2 GLN A 4 6.455 11.717 4.170 1.00 0.00 N ATOM 54 H GLN A 4 8.517 10.192 -1.013 1.00 0.00 H ATOM 55 HA GLN A 4 9.091 9.884 1.727 1.00 0.00 H ATOM 56 HB2 GLN A 4 9.084 12.065 0.598 1.00 0.00 H ATOM 57 HB3 GLN A 4 7.351 11.941 0.346 1.00 0.00 H ATOM 58 HG2 GLN A 4 8.643 12.019 3.062 1.00 0.00 H ATOM 59 HG3 GLN A 4 8.062 13.444 2.210 1.00 0.00 H ATOM 60 HE21 GLN A 4 7.291 11.578 4.663 1.00 0.00 H ATOM 61 HE22 GLN A 4 5.567 11.559 4.553 1.00 0.00 H ATOM 62 N ALA A 5 5.924 9.522 0.867 1.00 0.00 N ATOM 63 CA ALA A 5 4.628 8.993 1.290 1.00 0.00 C ATOM 64 C ALA A 5 4.702 7.507 1.637 1.00 0.00 C ATOM 65 O ALA A 5 4.116 7.071 2.624 1.00 0.00 O ATOM 66 CB ALA A 5 3.585 9.228 0.204 1.00 0.00 C ATOM 67 H ALA A 5 6.022 9.853 -0.049 1.00 0.00 H ATOM 68 HA ALA A 5 4.321 9.538 2.168 1.00 0.00 H ATOM 69 HB1 ALA A 5 2.655 8.762 0.492 1.00 0.00 H ATOM 70 HB2 ALA A 5 3.931 8.798 -0.725 1.00 0.00 H ATOM 71 HB3 ALA A 5 3.432 10.289 0.075 1.00 0.00 H ATOM 72 N LYS A 6 5.419 6.735 0.821 1.00 0.00 N ATOM 73 CA LYS A 6 5.560 5.295 1.047 1.00 0.00 C ATOM 74 C LYS A 6 6.350 5.018 2.324 1.00 0.00 C ATOM 75 O LYS A 6 5.854 4.365 3.242 1.00 0.00 O ATOM 76 CB LYS A 6 6.245 4.644 -0.168 1.00 0.00 C ATOM 77 CG LYS A 6 6.629 3.177 0.010 1.00 0.00 C ATOM 78 CD LYS A 6 5.459 2.225 -0.224 1.00 0.00 C ATOM 79 CE LYS A 6 4.372 2.368 0.829 1.00 0.00 C ATOM 80 NZ LYS A 6 4.887 2.184 2.185 1.00 0.00 N ATOM 81 H LYS A 6 5.866 7.142 0.048 1.00 0.00 H ATOM 82 HA LYS A 6 4.571 4.885 1.161 1.00 0.00 H ATOM 83 HB2 LYS A 6 5.577 4.710 -1.012 1.00 0.00 H ATOM 84 HB3 LYS A 6 7.143 5.201 -0.395 1.00 0.00 H ATOM 85 HG2 LYS A 6 7.411 2.938 -0.696 1.00 0.00 H ATOM 86 HG3 LYS A 6 7.002 3.035 1.014 1.00 0.00 H ATOM 87 HD2 LYS A 6 5.030 2.433 -1.192 1.00 0.00 H ATOM 88 HD3 LYS A 6 5.831 1.210 -0.207 1.00 0.00 H ATOM 89 HE2 LYS A 6 3.941 3.353 0.749 1.00 0.00 H ATOM 90 HE3 LYS A 6 3.610 1.629 0.640 1.00 0.00 H ATOM 91 HZ1 LYS A 6 5.754 2.589 2.397 1.00 0.00 H ATOM 92 N ARG A 7 7.572 5.528 2.375 1.00 0.00 N ATOM 93 CA ARG A 7 8.442 5.346 3.538 1.00 0.00 C ATOM 94 C ARG A 7 7.770 5.809 4.835 1.00 0.00 C ATOM 95 O ARG A 7 7.953 5.195 5.889 1.00 0.00 O ATOM 96 CB ARG A 7 9.749 6.117 3.331 1.00 0.00 C ATOM 97 CG ARG A 7 10.654 5.521 2.261 1.00 0.00 C ATOM 98 CD ARG A 7 11.227 4.178 2.693 1.00 0.00 C ATOM 99 NE ARG A 7 12.079 4.300 3.879 1.00 0.00 N ATOM 100 CZ ARG A 7 12.756 3.286 4.425 1.00 0.00 C ATOM 101 NH1 ARG A 7 12.682 2.063 3.905 1.00 0.00 N ATOM 102 NH2 ARG A 7 13.513 3.497 5.497 1.00 0.00 N ATOM 103 H ARG A 7 7.901 6.046 1.608 1.00 0.00 H ATOM 104 HA ARG A 7 8.666 4.293 3.620 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.511 7.130 3.044 1.00 0.00 H ATOM 106 HB3 ARG A 7 10.294 6.136 4.264 1.00 0.00 H ATOM 107 HG2 ARG A 7 10.082 5.380 1.356 1.00 0.00 H ATOM 108 HG3 ARG A 7 11.469 6.205 2.070 1.00 0.00 H ATOM 109 HD2 ARG A 7 10.410 3.509 2.917 1.00 0.00 H ATOM 110 HD3 ARG A 7 11.811 3.772 1.881 1.00 0.00 H ATOM 111 HE ARG A 7 12.154 5.188 4.291 1.00 0.00 H ATOM 112 HH11 ARG A 7 12.117 1.893 3.099 1.00 0.00 H ATOM 113 HH12 ARG A 7 13.195 1.311 4.321 1.00 0.00 H ATOM 114 HH21 ARG A 7 13.576 4.413 5.894 1.00 0.00 H ATOM 115 HH22 ARG A 7 14.022 2.740 5.908 1.00 0.00 H ATOM 116 N ASN A 8 7.019 6.906 4.753 1.00 0.00 N ATOM 117 CA ASN A 8 6.345 7.478 5.921 1.00 0.00 C ATOM 118 C ASN A 8 5.052 6.745 6.299 1.00 0.00 C ATOM 119 O ASN A 8 4.807 6.507 7.480 1.00 0.00 O ATOM 120 CB ASN A 8 6.060 8.967 5.674 1.00 0.00 C ATOM 121 CG ASN A 8 5.381 9.653 6.850 1.00 0.00 C ATOM 122 OD1 ASN A 8 4.268 9.295 7.237 1.00 0.00 O ATOM 123 ND2 ASN A 8 6.047 10.653 7.420 1.00 0.00 N ATOM 124 H ASN A 8 6.932 7.357 3.887 1.00 0.00 H ATOM 125 HA ASN A 8 7.028 7.400 6.750 1.00 0.00 H ATOM 126 HB2 ASN A 8 6.994 9.473 5.483 1.00 0.00 H ATOM 127 HB3 ASN A 8 5.423 9.064 4.808 1.00 0.00 H ATOM 128 HD21 ASN A 8 6.927 10.891 7.059 1.00 0.00 H ATOM 129 HD22 ASN A 8 5.630 11.111 8.179 1.00 0.00 H ATOM 130 N ARG A 9 4.213 6.420 5.314 1.00 0.00 N ATOM 131 CA ARG A 9 2.930 5.753 5.589 1.00 0.00 C ATOM 132 C ARG A 9 3.081 4.289 6.005 1.00 0.00 C ATOM 133 O ARG A 9 2.423 3.846 6.949 1.00 0.00 O ATOM 134 CB ARG A 9 1.993 5.858 4.379 1.00 0.00 C ATOM 135 CG ARG A 9 1.149 7.126 4.364 1.00 0.00 C ATOM 136 CD ARG A 9 1.993 8.379 4.551 1.00 0.00 C ATOM 137 NE ARG A 9 1.182 9.595 4.534 1.00 0.00 N ATOM 138 CZ ARG A 9 1.665 10.820 4.754 1.00 0.00 C ATOM 139 NH1 ARG A 9 2.957 11.004 5.020 1.00 0.00 N ATOM 140 NH2 ARG A 9 0.849 11.867 4.710 1.00 0.00 N ATOM 141 H ARG A 9 4.446 6.650 4.388 1.00 0.00 H ATOM 142 HA ARG A 9 2.473 6.285 6.411 1.00 0.00 H ATOM 143 HB2 ARG A 9 2.583 5.832 3.476 1.00 0.00 H ATOM 144 HB3 ARG A 9 1.325 5.009 4.383 1.00 0.00 H ATOM 145 HG2 ARG A 9 0.636 7.191 3.417 1.00 0.00 H ATOM 146 HG3 ARG A 9 0.424 7.069 5.163 1.00 0.00 H ATOM 147 HD2 ARG A 9 2.504 8.315 5.500 1.00 0.00 H ATOM 148 HD3 ARG A 9 2.720 8.431 3.755 1.00 0.00 H ATOM 149 HE ARG A 9 0.225 9.497 4.344 1.00 0.00 H ATOM 150 HH11 ARG A 9 3.579 10.221 5.056 1.00 0.00 H ATOM 151 HH12 ARG A 9 3.308 11.925 5.188 1.00 0.00 H ATOM 152 HH21 ARG A 9 -0.123 11.734 4.513 1.00 0.00 H ATOM 153 HH22 ARG A 9 1.204 12.787 4.876 1.00 0.00 H ATOM 154 N ASP A 10 3.920 3.539 5.295 1.00 0.00 N ATOM 155 CA ASP A 10 4.119 2.118 5.594 1.00 0.00 C ATOM 156 C ASP A 10 4.784 1.906 6.953 1.00 0.00 C ATOM 157 O ASP A 10 4.335 1.074 7.742 1.00 0.00 O ATOM 158 CB ASP A 10 4.943 1.452 4.488 1.00 0.00 C ATOM 159 CG ASP A 10 4.247 1.516 3.140 1.00 0.00 C ATOM 160 OD1 ASP A 10 3.148 0.987 2.971 1.00 0.00 O ATOM 161 H ASP A 10 4.406 3.944 4.546 1.00 0.00 H ATOM 162 HA ASP A 10 3.143 1.654 5.620 1.00 0.00 H ATOM 163 HB2 ASP A 10 5.896 1.955 4.405 1.00 0.00 H ATOM 164 HB3 ASP A 10 5.109 0.417 4.742 1.00 0.00 H ATOM 165 N ARG A 11 5.857 2.652 7.216 1.00 0.00 N ATOM 166 CA ARG A 11 6.585 2.531 8.480 1.00 0.00 C ATOM 167 C ARG A 11 5.796 3.114 9.649 1.00 0.00 C ATOM 168 O ARG A 11 5.596 2.446 10.661 1.00 0.00 O ATOM 169 CB ARG A 11 7.949 3.212 8.383 1.00 0.00 C ATOM 170 CG ARG A 11 8.903 2.530 7.414 1.00 0.00 C ATOM 171 CD ARG A 11 10.260 3.221 7.359 1.00 0.00 C ATOM 172 NE ARG A 11 10.942 3.235 8.657 1.00 0.00 N ATOM 173 CZ ARG A 11 10.706 4.128 9.625 1.00 0.00 C ATOM 174 NH1 ARG A 11 9.869 5.143 9.423 1.00 0.00 N ATOM 175 NH2 ARG A 11 11.332 4.021 10.792 1.00 0.00 N ATOM 176 H ARG A 11 6.169 3.293 6.543 1.00 0.00 H ATOM 177 HA ARG A 11 6.736 1.479 8.665 1.00 0.00 H ATOM 178 HB2 ARG A 11 7.804 4.230 8.056 1.00 0.00 H ATOM 179 HB3 ARG A 11 8.404 3.218 9.362 1.00 0.00 H ATOM 180 HG2 ARG A 11 9.049 1.509 7.730 1.00 0.00 H ATOM 181 HG3 ARG A 11 8.464 2.541 6.427 1.00 0.00 H ATOM 182 HD2 ARG A 11 10.883 2.703 6.645 1.00 0.00 H ATOM 183 HD3 ARG A 11 10.114 4.240 7.029 1.00 0.00 H ATOM 184 HE ARG A 11 11.597 2.525 8.826 1.00 0.00 H ATOM 185 HH11 ARG A 11 9.410 5.247 8.543 1.00 0.00 H ATOM 186 HH12 ARG A 11 9.696 5.801 10.155 1.00 0.00 H ATOM 187 HH21 ARG A 11 11.977 3.273 10.947 1.00 0.00 H ATOM 188 HH22 ARG A 11 11.159 4.689 11.516 1.00 0.00 H ATOM 189 N ARG A 12 5.346 4.357 9.518 1.00 0.00 N ATOM 190 CA ARG A 12 4.584 4.983 10.592 1.00 0.00 C ATOM 191 C ARG A 12 3.383 4.114 10.962 1.00 0.00 C ATOM 192 O ARG A 12 3.042 3.986 12.139 1.00 0.00 O ATOM 193 CB ARG A 12 4.103 6.388 10.202 1.00 0.00 C ATOM 194 CG ARG A 12 3.502 7.159 11.370 1.00 0.00 C ATOM 195 CD ARG A 12 2.656 8.337 10.904 1.00 0.00 C ATOM 196 NE ARG A 12 1.469 7.898 10.168 1.00 0.00 N ATOM 197 CZ ARG A 12 0.471 7.184 10.703 1.00 0.00 C ATOM 198 NH1 ARG A 12 0.454 6.909 12.007 1.00 0.00 N ATOM 199 NH2 ARG A 12 -0.528 6.766 9.933 1.00 0.00 N ATOM 200 H ARG A 12 5.529 4.854 8.693 1.00 0.00 H ATOM 201 HA ARG A 12 5.233 5.060 11.453 1.00 0.00 H ATOM 202 HB2 ARG A 12 4.942 6.951 9.819 1.00 0.00 H ATOM 203 HB3 ARG A 12 3.353 6.301 9.430 1.00 0.00 H ATOM 204 HG2 ARG A 12 2.880 6.491 11.944 1.00 0.00 H ATOM 205 HG3 ARG A 12 4.304 7.530 11.994 1.00 0.00 H ATOM 206 HD2 ARG A 12 2.342 8.901 11.770 1.00 0.00 H ATOM 207 HD3 ARG A 12 3.254 8.968 10.263 1.00 0.00 H ATOM 208 HE ARG A 12 1.424 8.124 9.215 1.00 0.00 H ATOM 209 HH11 ARG A 12 1.189 7.238 12.599 1.00 0.00 H ATOM 210 HH12 ARG A 12 -0.295 6.371 12.395 1.00 0.00 H ATOM 211 HH21 ARG A 12 -0.532 6.984 8.958 1.00 0.00 H ATOM 212 HH22 ARG A 12 -1.274 6.229 10.328 1.00 0.00 H ATOM 213 N LYS A 13 2.744 3.518 9.948 1.00 0.00 N ATOM 214 CA LYS A 13 1.580 2.664 10.167 1.00 0.00 C ATOM 215 C LYS A 13 1.961 1.404 10.933 1.00 0.00 C ATOM 216 O LYS A 13 1.395 1.123 11.987 1.00 0.00 O ATOM 217 CB LYS A 13 0.931 2.284 8.829 1.00 0.00 C ATOM 218 CG LYS A 13 -0.483 1.726 8.965 1.00 0.00 C ATOM 219 CD LYS A 13 -0.556 0.225 8.683 1.00 0.00 C ATOM 220 CE LYS A 13 0.008 -0.620 9.822 1.00 0.00 C ATOM 221 NZ LYS A 13 -0.709 -0.413 11.084 1.00 0.00 N ATOM 222 H LYS A 13 3.063 3.657 9.032 1.00 0.00 H ATOM 223 HA LYS A 13 0.869 3.222 10.753 1.00 0.00 H ATOM 224 HB2 LYS A 13 0.889 3.162 8.201 1.00 0.00 H ATOM 225 HB3 LYS A 13 1.544 1.538 8.344 1.00 0.00 H ATOM 226 HG2 LYS A 13 -0.831 1.906 9.970 1.00 0.00 H ATOM 227 HG3 LYS A 13 -1.126 2.243 8.267 1.00 0.00 H ATOM 228 HD2 LYS A 13 -1.589 -0.049 8.531 1.00 0.00 H ATOM 229 HD3 LYS A 13 0.004 0.016 7.782 1.00 0.00 H ATOM 230 HE2 LYS A 13 -0.072 -1.661 9.546 1.00 0.00 H ATOM 231 HE3 LYS A 13 1.045 -0.370 9.959 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -1.470 0.206 11.074 1.00 0.00 H ATOM 233 N ARG A 14 2.918 0.646 10.394 1.00 0.00 N ATOM 234 CA ARG A 14 3.362 -0.599 11.028 1.00 0.00 C ATOM 235 C ARG A 14 3.886 -0.348 12.440 1.00 0.00 C ATOM 236 O ARG A 14 3.673 -1.160 13.341 1.00 0.00 O ATOM 237 CB ARG A 14 4.437 -1.289 10.182 1.00 0.00 C ATOM 238 CG ARG A 14 5.725 -0.493 10.059 1.00 0.00 C ATOM 239 CD ARG A 14 6.744 -1.209 9.185 1.00 0.00 C ATOM 240 NE ARG A 14 8.030 -0.512 9.156 1.00 0.00 N ATOM 241 CZ ARG A 14 8.846 -0.392 10.210 1.00 0.00 C ATOM 242 NH1 ARG A 14 8.540 -0.961 11.374 1.00 0.00 N ATOM 243 NH2 ARG A 14 9.981 0.289 10.093 1.00 0.00 N ATOM 244 H ARG A 14 3.329 0.928 9.549 1.00 0.00 H ATOM 245 HA ARG A 14 2.503 -1.253 11.096 1.00 0.00 H ATOM 246 HB2 ARG A 14 4.672 -2.244 10.630 1.00 0.00 H ATOM 247 HB3 ARG A 14 4.044 -1.454 9.190 1.00 0.00 H ATOM 248 HG2 ARG A 14 5.501 0.465 9.619 1.00 0.00 H ATOM 249 HG3 ARG A 14 6.145 -0.350 11.043 1.00 0.00 H ATOM 250 HD2 ARG A 14 6.894 -2.205 9.572 1.00 0.00 H ATOM 251 HD3 ARG A 14 6.355 -1.269 8.180 1.00 0.00 H ATOM 252 HE ARG A 14 8.298 -0.102 8.307 1.00 0.00 H ATOM 253 HH11 ARG A 14 7.696 -1.487 11.471 1.00 0.00 H ATOM 254 HH12 ARG A 14 9.157 -0.864 12.156 1.00 0.00 H ATOM 255 HH21 ARG A 14 10.226 0.710 9.220 1.00 0.00 H ATOM 256 HH22 ARG A 14 10.594 0.379 10.879 1.00 0.00 H ATOM 257 N GLU A 15 4.570 0.778 12.623 1.00 0.00 N ATOM 258 CA GLU A 15 5.120 1.141 13.923 1.00 0.00 C ATOM 259 C GLU A 15 4.010 1.501 14.911 1.00 0.00 C ATOM 260 O GLU A 15 4.100 1.172 16.095 1.00 0.00 O ATOM 261 CB GLU A 15 6.104 2.308 13.778 1.00 0.00 C ATOM 262 CG GLU A 15 6.733 2.751 15.092 1.00 0.00 C ATOM 263 CD GLU A 15 7.441 1.619 15.817 1.00 0.00 C ATOM 264 OE1 GLU A 15 8.355 1.009 15.221 1.00 0.00 O ATOM 265 OE2 GLU A 15 7.082 1.345 16.981 1.00 0.00 O ATOM 266 H GLU A 15 4.705 1.384 11.864 1.00 0.00 H ATOM 267 HA GLU A 15 5.653 0.282 14.301 1.00 0.00 H ATOM 268 HB2 GLU A 15 6.899 2.012 13.108 1.00 0.00 H ATOM 269 HB3 GLU A 15 5.583 3.153 13.350 1.00 0.00 H ATOM 270 HG2 GLU A 15 7.453 3.531 14.887 1.00 0.00 H ATOM 271 HG3 GLU A 15 5.957 3.142 15.735 1.00 0.00 H ATOM 272 N ARG A 16 2.969 2.186 14.424 1.00 0.00 N ATOM 273 CA ARG A 16 1.856 2.594 15.282 1.00 0.00 C ATOM 274 C ARG A 16 0.925 1.417 15.590 1.00 0.00 C ATOM 275 O ARG A 16 0.690 1.100 16.758 1.00 0.00 O ATOM 276 CB ARG A 16 1.063 3.743 14.641 1.00 0.00 C ATOM 277 CG ARG A 16 0.384 4.651 15.658 1.00 0.00 C ATOM 278 CD ARG A 16 1.409 5.453 16.447 1.00 0.00 C ATOM 279 NE ARG A 16 1.189 5.375 17.891 1.00 0.00 N ATOM 280 CZ ARG A 16 0.129 5.885 18.525 1.00 0.00 C ATOM 281 NH1 ARG A 16 -0.804 6.560 17.857 1.00 0.00 N ATOM 282 NH2 ARG A 16 0.010 5.728 19.839 1.00 0.00 N ATOM 283 H ARG A 16 2.954 2.425 13.474 1.00 0.00 H ATOM 284 HA ARG A 16 2.277 2.942 16.211 1.00 0.00 H ATOM 285 HB2 ARG A 16 1.736 4.344 14.047 1.00 0.00 H ATOM 286 HB3 ARG A 16 0.302 3.327 13.997 1.00 0.00 H ATOM 287 HG2 ARG A 16 -0.274 5.334 15.139 1.00 0.00 H ATOM 288 HG3 ARG A 16 -0.192 4.045 16.343 1.00 0.00 H ATOM 289 HD2 ARG A 16 2.393 5.070 16.224 1.00 0.00 H ATOM 290 HD3 ARG A 16 1.350 6.488 16.139 1.00 0.00 H ATOM 291 HE ARG A 16 1.865 4.901 18.420 1.00 0.00 H ATOM 292 HH11 ARG A 16 -0.718 6.692 16.870 1.00 0.00 H ATOM 293 HH12 ARG A 16 -1.594 6.934 18.342 1.00 0.00 H ATOM 294 HH21 ARG A 16 0.712 5.228 20.349 1.00 0.00 H ATOM 295 HH22 ARG A 16 -0.781 6.107 20.320 1.00 0.00 H ATOM 296 N ASP A 17 0.400 0.772 14.543 1.00 0.00 N ATOM 297 CA ASP A 17 -0.503 -0.371 14.721 1.00 0.00 C ATOM 298 C ASP A 17 0.239 -1.615 15.217 1.00 0.00 C ATOM 299 O ASP A 17 -0.345 -2.470 15.882 1.00 0.00 O ATOM 300 CB ASP A 17 -1.277 -0.690 13.429 1.00 0.00 C ATOM 301 CG ASP A 17 -0.397 -1.028 12.232 1.00 0.00 C ATOM 302 OD1 ASP A 17 0.525 -1.840 12.328 1.00 0.00 O ATOM 303 H ASP A 17 0.625 1.070 13.638 1.00 0.00 H ATOM 304 HA ASP A 17 -1.218 -0.088 15.480 1.00 0.00 H ATOM 305 HB2 ASP A 17 -1.930 -1.530 13.611 1.00 0.00 H ATOM 306 HB3 ASP A 17 -1.877 0.166 13.172 1.00 0.00 H HETATM 307 N NH2 A 18 1.525 -1.722 14.901 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.937 -1.011 14.368 1.00 0.00 H HETATM 309 HN2 NH2 A 18 2.009 -2.510 15.214 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 10 HETATM 1 C ACE A 1 5.912 11.426 -2.978 1.00 0.00 C HETATM 2 O ACE A 1 5.985 11.186 -1.772 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.376 12.646 -3.489 1.00 0.00 C HETATM 4 H1 ACE A 1 7.047 13.102 -2.775 1.00 0.00 H HETATM 5 H2 ACE A 1 5.540 13.303 -3.670 1.00 0.00 H HETATM 6 H3 ACE A 1 6.898 12.474 -4.418 1.00 0.00 H ATOM 7 N THR A 2 5.397 10.564 -3.856 1.00 0.00 N ATOM 8 CA THR A 2 4.874 9.257 -3.454 1.00 0.00 C ATOM 9 C THR A 2 5.953 8.384 -2.806 1.00 0.00 C ATOM 10 O THR A 2 5.668 7.632 -1.873 1.00 0.00 O ATOM 11 CB THR A 2 4.263 8.504 -4.655 1.00 0.00 C ATOM 12 OG1 THR A 2 3.657 7.281 -4.215 1.00 0.00 O ATOM 13 CG2 THR A 2 5.318 8.194 -5.710 1.00 0.00 C ATOM 14 H THR A 2 5.363 10.815 -4.803 1.00 0.00 H ATOM 15 HA THR A 2 4.089 9.426 -2.732 1.00 0.00 H ATOM 16 HB THR A 2 3.505 9.132 -5.102 1.00 0.00 H ATOM 17 HG1 THR A 2 2.708 7.324 -4.354 1.00 0.00 H ATOM 18 HG21 THR A 2 5.903 9.080 -5.904 1.00 0.00 H ATOM 19 HG22 THR A 2 4.833 7.875 -6.621 1.00 0.00 H ATOM 20 HG23 THR A 2 5.965 7.406 -5.352 1.00 0.00 H ATOM 21 N ARG A 3 7.188 8.487 -3.308 1.00 0.00 N ATOM 22 CA ARG A 3 8.306 7.704 -2.777 1.00 0.00 C ATOM 23 C ARG A 3 8.493 7.970 -1.285 1.00 0.00 C ATOM 24 O ARG A 3 8.514 7.040 -0.479 1.00 0.00 O ATOM 25 CB ARG A 3 9.597 8.042 -3.529 1.00 0.00 C ATOM 26 CG ARG A 3 10.805 7.243 -3.061 1.00 0.00 C ATOM 27 CD ARG A 3 12.103 7.798 -3.631 1.00 0.00 C ATOM 28 NE ARG A 3 12.376 9.156 -3.157 1.00 0.00 N ATOM 29 CZ ARG A 3 13.477 9.847 -3.462 1.00 0.00 C ATOM 30 NH1 ARG A 3 14.424 9.310 -4.227 1.00 0.00 N ATOM 31 NH2 ARG A 3 13.635 11.079 -2.991 1.00 0.00 N ATOM 32 H ARG A 3 7.350 9.102 -4.053 1.00 0.00 H ATOM 33 HA ARG A 3 8.078 6.660 -2.919 1.00 0.00 H ATOM 34 HB2 ARG A 3 9.449 7.842 -4.580 1.00 0.00 H ATOM 35 HB3 ARG A 3 9.812 9.093 -3.398 1.00 0.00 H ATOM 36 HG2 ARG A 3 10.854 7.279 -1.983 1.00 0.00 H ATOM 37 HG3 ARG A 3 10.691 6.219 -3.384 1.00 0.00 H ATOM 38 HD2 ARG A 3 12.916 7.154 -3.332 1.00 0.00 H ATOM 39 HD3 ARG A 3 12.032 7.810 -4.708 1.00 0.00 H ATOM 40 HE ARG A 3 11.703 9.577 -2.581 1.00 0.00 H ATOM 41 HH11 ARG A 3 14.318 8.380 -4.580 1.00 0.00 H ATOM 42 HH12 ARG A 3 15.244 9.837 -4.451 1.00 0.00 H ATOM 43 HH21 ARG A 3 12.930 11.487 -2.409 1.00 0.00 H ATOM 44 HH22 ARG A 3 14.457 11.601 -3.218 1.00 0.00 H ATOM 45 N GLN A 4 8.622 9.248 -0.929 1.00 0.00 N ATOM 46 CA GLN A 4 8.803 9.646 0.465 1.00 0.00 C ATOM 47 C GLN A 4 7.540 9.380 1.284 1.00 0.00 C ATOM 48 O GLN A 4 7.620 8.962 2.439 1.00 0.00 O ATOM 49 CB GLN A 4 9.179 11.130 0.557 1.00 0.00 C ATOM 50 CG GLN A 4 9.369 11.628 1.986 1.00 0.00 C ATOM 51 CD GLN A 4 10.525 10.963 2.732 1.00 0.00 C ATOM 52 OE1 GLN A 4 10.648 11.117 3.947 1.00 0.00 O ATOM 53 NE2 GLN A 4 11.394 10.242 2.021 1.00 0.00 N ATOM 54 H GLN A 4 8.592 9.939 -1.623 1.00 0.00 H ATOM 55 HA GLN A 4 9.608 9.056 0.873 1.00 0.00 H ATOM 56 HB2 GLN A 4 10.100 11.290 0.017 1.00 0.00 H ATOM 57 HB3 GLN A 4 8.398 11.717 0.097 1.00 0.00 H ATOM 58 HG2 GLN A 4 9.554 12.691 1.957 1.00 0.00 H ATOM 59 HG3 GLN A 4 8.456 11.444 2.536 1.00 0.00 H ATOM 60 HE21 GLN A 4 11.261 10.167 1.054 1.00 0.00 H ATOM 61 HE22 GLN A 4 12.134 9.813 2.499 1.00 0.00 H ATOM 62 N ALA A 5 6.379 9.636 0.678 1.00 0.00 N ATOM 63 CA ALA A 5 5.097 9.437 1.348 1.00 0.00 C ATOM 64 C ALA A 5 4.895 7.984 1.759 1.00 0.00 C ATOM 65 O ALA A 5 4.475 7.707 2.882 1.00 0.00 O ATOM 66 CB ALA A 5 3.952 9.901 0.457 1.00 0.00 C ATOM 67 H ALA A 5 6.386 9.972 -0.242 1.00 0.00 H ATOM 68 HA ALA A 5 5.094 10.049 2.237 1.00 0.00 H ATOM 69 HB1 ALA A 5 3.416 10.700 0.947 1.00 0.00 H ATOM 70 HB2 ALA A 5 3.278 9.076 0.274 1.00 0.00 H ATOM 71 HB3 ALA A 5 4.346 10.256 -0.482 1.00 0.00 H ATOM 72 N LYS A 6 5.195 7.058 0.847 1.00 0.00 N ATOM 73 CA LYS A 6 5.039 5.633 1.129 1.00 0.00 C ATOM 74 C LYS A 6 6.017 5.204 2.219 1.00 0.00 C ATOM 75 O LYS A 6 5.609 4.710 3.269 1.00 0.00 O ATOM 76 CB LYS A 6 5.270 4.793 -0.137 1.00 0.00 C ATOM 77 CG LYS A 6 4.551 3.445 -0.133 1.00 0.00 C ATOM 78 CD LYS A 6 4.737 2.695 1.179 1.00 0.00 C ATOM 79 CE LYS A 6 6.185 2.278 1.404 1.00 0.00 C ATOM 80 NZ LYS A 6 6.509 2.172 2.828 1.00 0.00 N ATOM 81 H LYS A 6 5.530 7.341 -0.029 1.00 0.00 H ATOM 82 HA LYS A 6 4.033 5.473 1.482 1.00 0.00 H ATOM 83 HB2 LYS A 6 4.927 5.354 -0.993 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.330 4.609 -0.244 1.00 0.00 H ATOM 85 HG2 LYS A 6 3.497 3.613 -0.288 1.00 0.00 H ATOM 86 HG3 LYS A 6 4.942 2.842 -0.939 1.00 0.00 H ATOM 87 HD2 LYS A 6 4.429 3.334 1.991 1.00 0.00 H ATOM 88 HD3 LYS A 6 4.117 1.811 1.164 1.00 0.00 H ATOM 89 HE2 LYS A 6 6.346 1.317 0.937 1.00 0.00 H ATOM 90 HE3 LYS A 6 6.834 3.011 0.950 1.00 0.00 H ATOM 91 HZ1 LYS A 6 7.343 2.585 3.129 1.00 0.00 H ATOM 92 N ARG A 7 7.308 5.409 1.954 1.00 0.00 N ATOM 93 CA ARG A 7 8.370 5.051 2.899 1.00 0.00 C ATOM 94 C ARG A 7 8.070 5.566 4.306 1.00 0.00 C ATOM 95 O ARG A 7 8.272 4.855 5.289 1.00 0.00 O ATOM 96 CB ARG A 7 9.721 5.597 2.425 1.00 0.00 C ATOM 97 CG ARG A 7 10.176 5.035 1.085 1.00 0.00 C ATOM 98 CD ARG A 7 10.340 3.523 1.131 1.00 0.00 C ATOM 99 NE ARG A 7 10.714 2.968 -0.172 1.00 0.00 N ATOM 100 CZ ARG A 7 9.906 2.939 -1.238 1.00 0.00 C ATOM 101 NH1 ARG A 7 8.659 3.400 -1.159 1.00 0.00 N ATOM 102 NH2 ARG A 7 10.347 2.437 -2.388 1.00 0.00 N ATOM 103 H ARG A 7 7.553 5.814 1.095 1.00 0.00 H ATOM 104 HA ARG A 7 8.426 3.976 2.934 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.649 6.670 2.333 1.00 0.00 H ATOM 106 HB3 ARG A 7 10.472 5.358 3.165 1.00 0.00 H ATOM 107 HG2 ARG A 7 9.442 5.282 0.336 1.00 0.00 H ATOM 108 HG3 ARG A 7 11.124 5.482 0.824 1.00 0.00 H ATOM 109 HD2 ARG A 7 11.108 3.279 1.848 1.00 0.00 H ATOM 110 HD3 ARG A 7 9.404 3.082 1.444 1.00 0.00 H ATOM 111 HE ARG A 7 11.621 2.607 -0.261 1.00 0.00 H ATOM 112 HH11 ARG A 7 8.315 3.773 -0.298 1.00 0.00 H ATOM 113 HH12 ARG A 7 8.064 3.374 -1.963 1.00 0.00 H ATOM 114 HH21 ARG A 7 11.280 2.082 -2.454 1.00 0.00 H ATOM 115 HH22 ARG A 7 9.745 2.413 -3.187 1.00 0.00 H ATOM 116 N ASN A 8 7.591 6.803 4.392 1.00 0.00 N ATOM 117 CA ASN A 8 7.263 7.419 5.676 1.00 0.00 C ATOM 118 C ASN A 8 6.061 6.735 6.340 1.00 0.00 C ATOM 119 O ASN A 8 6.055 6.525 7.553 1.00 0.00 O ATOM 120 CB ASN A 8 6.999 8.918 5.481 1.00 0.00 C ATOM 121 CG ASN A 8 6.612 9.630 6.764 1.00 0.00 C ATOM 122 OD1 ASN A 8 7.293 9.512 7.783 1.00 0.00 O ATOM 123 ND2 ASN A 8 5.525 10.392 6.714 1.00 0.00 N ATOM 124 H ASN A 8 7.453 7.317 3.570 1.00 0.00 H ATOM 125 HA ASN A 8 8.119 7.301 6.319 1.00 0.00 H ATOM 126 HB2 ASN A 8 7.893 9.384 5.096 1.00 0.00 H ATOM 127 HB3 ASN A 8 6.200 9.044 4.765 1.00 0.00 H ATOM 128 HD21 ASN A 8 5.038 10.451 5.864 1.00 0.00 H ATOM 129 HD22 ASN A 8 5.255 10.867 7.527 1.00 0.00 H ATOM 130 N ARG A 9 5.047 6.400 5.541 1.00 0.00 N ATOM 131 CA ARG A 9 3.832 5.749 6.047 1.00 0.00 C ATOM 132 C ARG A 9 4.076 4.304 6.502 1.00 0.00 C ATOM 133 O ARG A 9 3.466 3.854 7.470 1.00 0.00 O ATOM 134 CB ARG A 9 2.729 5.775 4.983 1.00 0.00 C ATOM 135 CG ARG A 9 2.194 7.168 4.682 1.00 0.00 C ATOM 136 CD ARG A 9 1.348 7.726 5.821 1.00 0.00 C ATOM 137 NE ARG A 9 0.120 6.954 6.038 1.00 0.00 N ATOM 138 CZ ARG A 9 0.002 5.947 6.912 1.00 0.00 C ATOM 139 NH1 ARG A 9 0.997 5.640 7.739 1.00 0.00 N ATOM 140 NH2 ARG A 9 -1.135 5.260 6.980 1.00 0.00 N ATOM 141 H ARG A 9 5.112 6.601 4.585 1.00 0.00 H ATOM 142 HA ARG A 9 3.496 6.320 6.899 1.00 0.00 H ATOM 143 HB2 ARG A 9 3.122 5.362 4.066 1.00 0.00 H ATOM 144 HB3 ARG A 9 1.906 5.162 5.320 1.00 0.00 H ATOM 145 HG2 ARG A 9 3.028 7.832 4.519 1.00 0.00 H ATOM 146 HG3 ARG A 9 1.590 7.123 3.787 1.00 0.00 H ATOM 147 HD2 ARG A 9 1.935 7.712 6.726 1.00 0.00 H ATOM 148 HD3 ARG A 9 1.082 8.746 5.585 1.00 0.00 H ATOM 149 HE ARG A 9 -0.654 7.181 5.481 1.00 0.00 H ATOM 150 HH11 ARG A 9 1.848 6.161 7.716 1.00 0.00 H ATOM 151 HH12 ARG A 9 0.892 4.887 8.388 1.00 0.00 H ATOM 152 HH21 ARG A 9 -1.898 5.497 6.378 1.00 0.00 H ATOM 153 HH22 ARG A 9 -1.228 4.508 7.633 1.00 0.00 H ATOM 154 N ASP A 10 4.949 3.574 5.798 1.00 0.00 N ATOM 155 CA ASP A 10 5.240 2.175 6.140 1.00 0.00 C ATOM 156 C ASP A 10 5.767 2.044 7.566 1.00 0.00 C ATOM 157 O ASP A 10 5.303 1.199 8.334 1.00 0.00 O ATOM 158 CB ASP A 10 6.254 1.575 5.159 1.00 0.00 C ATOM 159 CG ASP A 10 5.741 1.562 3.731 1.00 0.00 C ATOM 160 OD1 ASP A 10 4.673 1.016 3.451 1.00 0.00 O ATOM 161 H ASP A 10 5.401 3.979 5.031 1.00 0.00 H ATOM 162 HA ASP A 10 4.317 1.621 6.065 1.00 0.00 H ATOM 163 HB2 ASP A 10 7.162 2.157 5.191 1.00 0.00 H ATOM 164 HB3 ASP A 10 6.474 0.560 5.454 1.00 0.00 H ATOM 165 N ARG A 11 6.733 2.887 7.914 1.00 0.00 N ATOM 166 CA ARG A 11 7.321 2.872 9.251 1.00 0.00 C ATOM 167 C ARG A 11 6.360 3.483 10.263 1.00 0.00 C ATOM 168 O ARG A 11 6.292 3.051 11.414 1.00 0.00 O ATOM 169 CB ARG A 11 8.656 3.630 9.272 1.00 0.00 C ATOM 170 CG ARG A 11 9.800 2.910 8.563 1.00 0.00 C ATOM 171 CD ARG A 11 9.448 2.560 7.124 1.00 0.00 C ATOM 172 NE ARG A 11 10.600 2.061 6.372 1.00 0.00 N ATOM 173 CZ ARG A 11 11.630 2.820 5.984 1.00 0.00 C ATOM 174 NH1 ARG A 11 11.648 4.125 6.248 1.00 0.00 N ATOM 175 NH2 ARG A 11 12.643 2.272 5.320 1.00 0.00 N ATOM 176 H ARG A 11 7.055 3.539 7.254 1.00 0.00 H ATOM 177 HA ARG A 11 7.496 1.841 9.522 1.00 0.00 H ATOM 178 HB2 ARG A 11 8.516 4.589 8.795 1.00 0.00 H ATOM 179 HB3 ARG A 11 8.946 3.791 10.300 1.00 0.00 H ATOM 180 HG2 ARG A 11 10.668 3.552 8.562 1.00 0.00 H ATOM 181 HG3 ARG A 11 10.024 2.001 9.101 1.00 0.00 H ATOM 182 HD2 ARG A 11 8.682 1.799 7.130 1.00 0.00 H ATOM 183 HD3 ARG A 11 9.068 3.444 6.637 1.00 0.00 H ATOM 184 HE ARG A 11 10.610 1.106 6.148 1.00 0.00 H ATOM 185 HH11 ARG A 11 10.888 4.550 6.739 1.00 0.00 H ATOM 186 HH12 ARG A 11 12.424 4.683 5.953 1.00 0.00 H ATOM 187 HH21 ARG A 11 12.634 1.294 5.112 1.00 0.00 H ATOM 188 HH22 ARG A 11 13.415 2.838 5.027 1.00 0.00 H ATOM 189 N ARG A 12 5.622 4.495 9.825 1.00 0.00 N ATOM 190 CA ARG A 12 4.664 5.175 10.691 1.00 0.00 C ATOM 191 C ARG A 12 3.515 4.239 11.088 1.00 0.00 C ATOM 192 O ARG A 12 3.161 4.147 12.268 1.00 0.00 O ATOM 193 CB ARG A 12 4.111 6.418 9.988 1.00 0.00 C ATOM 194 CG ARG A 12 3.531 7.456 10.936 1.00 0.00 C ATOM 195 CD ARG A 12 4.623 8.095 11.783 1.00 0.00 C ATOM 196 NE ARG A 12 4.134 9.241 12.553 1.00 0.00 N ATOM 197 CZ ARG A 12 3.294 9.151 13.588 1.00 0.00 C ATOM 198 NH1 ARG A 12 2.875 7.964 14.020 1.00 0.00 N ATOM 199 NH2 ARG A 12 2.882 10.255 14.204 1.00 0.00 N ATOM 200 H ARG A 12 5.725 4.795 8.897 1.00 0.00 H ATOM 201 HA ARG A 12 5.187 5.482 11.584 1.00 0.00 H ATOM 202 HB2 ARG A 12 4.908 6.884 9.429 1.00 0.00 H ATOM 203 HB3 ARG A 12 3.333 6.115 9.302 1.00 0.00 H ATOM 204 HG2 ARG A 12 3.040 8.224 10.358 1.00 0.00 H ATOM 205 HG3 ARG A 12 2.816 6.976 11.586 1.00 0.00 H ATOM 206 HD2 ARG A 12 5.006 7.354 12.468 1.00 0.00 H ATOM 207 HD3 ARG A 12 5.419 8.425 11.131 1.00 0.00 H ATOM 208 HE ARG A 12 4.440 10.129 12.274 1.00 0.00 H ATOM 209 HH11 ARG A 12 3.187 7.127 13.572 1.00 0.00 H ATOM 210 HH12 ARG A 12 2.248 7.909 14.796 1.00 0.00 H ATOM 211 HH21 ARG A 12 3.200 11.151 13.892 1.00 0.00 H ATOM 212 HH22 ARG A 12 2.253 10.191 14.979 1.00 0.00 H ATOM 213 N LYS A 13 2.936 3.548 10.097 1.00 0.00 N ATOM 214 CA LYS A 13 1.827 2.625 10.345 1.00 0.00 C ATOM 215 C LYS A 13 2.265 1.435 11.190 1.00 0.00 C ATOM 216 O LYS A 13 1.515 0.980 12.045 1.00 0.00 O ATOM 217 CB LYS A 13 1.208 2.118 9.030 1.00 0.00 C ATOM 218 CG LYS A 13 2.132 1.233 8.196 1.00 0.00 C ATOM 219 CD LYS A 13 1.588 -0.184 8.009 1.00 0.00 C ATOM 220 CE LYS A 13 1.545 -0.973 9.314 1.00 0.00 C ATOM 221 NZ LYS A 13 0.331 -0.715 10.091 1.00 0.00 N ATOM 222 H LYS A 13 3.261 3.664 9.179 1.00 0.00 H ATOM 223 HA LYS A 13 1.073 3.168 10.893 1.00 0.00 H ATOM 224 HB2 LYS A 13 0.321 1.552 9.263 1.00 0.00 H ATOM 225 HB3 LYS A 13 0.928 2.970 8.430 1.00 0.00 H ATOM 226 HG2 LYS A 13 2.257 1.682 7.223 1.00 0.00 H ATOM 227 HG3 LYS A 13 3.091 1.174 8.685 1.00 0.00 H ATOM 228 HD2 LYS A 13 0.588 -0.123 7.610 1.00 0.00 H ATOM 229 HD3 LYS A 13 2.222 -0.708 7.307 1.00 0.00 H ATOM 230 HE2 LYS A 13 1.590 -2.027 9.081 1.00 0.00 H ATOM 231 HE3 LYS A 13 2.403 -0.706 9.907 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -0.334 -0.110 9.703 1.00 0.00 H ATOM 233 N ARG A 14 3.469 0.920 10.939 1.00 0.00 N ATOM 234 CA ARG A 14 3.966 -0.238 11.678 1.00 0.00 C ATOM 235 C ARG A 14 3.829 -0.034 13.187 1.00 0.00 C ATOM 236 O ARG A 14 3.487 -0.968 13.915 1.00 0.00 O ATOM 237 CB ARG A 14 5.419 -0.536 11.301 1.00 0.00 C ATOM 238 CG ARG A 14 5.879 -1.923 11.720 1.00 0.00 C ATOM 239 CD ARG A 14 7.202 -2.296 11.067 1.00 0.00 C ATOM 240 NE ARG A 14 7.609 -3.671 11.372 1.00 0.00 N ATOM 241 CZ ARG A 14 6.960 -4.764 10.950 1.00 0.00 C ATOM 242 NH1 ARG A 14 5.881 -4.661 10.178 1.00 0.00 N ATOM 243 NH2 ARG A 14 7.401 -5.970 11.298 1.00 0.00 N ATOM 244 H ARG A 14 4.028 1.317 10.235 1.00 0.00 H ATOM 245 HA ARG A 14 3.354 -1.082 11.396 1.00 0.00 H ATOM 246 HB2 ARG A 14 5.527 -0.450 10.230 1.00 0.00 H ATOM 247 HB3 ARG A 14 6.059 0.191 11.778 1.00 0.00 H ATOM 248 HG2 ARG A 14 6.002 -1.939 12.793 1.00 0.00 H ATOM 249 HG3 ARG A 14 5.127 -2.643 11.432 1.00 0.00 H ATOM 250 HD2 ARG A 14 7.102 -2.192 9.997 1.00 0.00 H ATOM 251 HD3 ARG A 14 7.964 -1.619 11.422 1.00 0.00 H ATOM 252 HE ARG A 14 8.409 -3.788 11.927 1.00 0.00 H ATOM 253 HH11 ARG A 14 5.544 -3.761 9.903 1.00 0.00 H ATOM 254 HH12 ARG A 14 5.405 -5.486 9.871 1.00 0.00 H ATOM 255 HH21 ARG A 14 8.215 -6.059 11.873 1.00 0.00 H ATOM 256 HH22 ARG A 14 6.919 -6.789 10.984 1.00 0.00 H ATOM 257 N GLU A 15 4.077 1.192 13.648 1.00 0.00 N ATOM 258 CA GLU A 15 3.960 1.519 15.066 1.00 0.00 C ATOM 259 C GLU A 15 2.495 1.703 15.468 1.00 0.00 C ATOM 260 O GLU A 15 2.077 1.237 16.531 1.00 0.00 O ATOM 261 CB GLU A 15 4.760 2.786 15.393 1.00 0.00 C ATOM 262 CG GLU A 15 6.249 2.678 15.087 1.00 0.00 C ATOM 263 CD GLU A 15 6.946 1.593 15.890 1.00 0.00 C ATOM 264 OE1 GLU A 15 6.646 0.400 15.669 1.00 0.00 O ATOM 265 OE2 GLU A 15 7.792 1.937 16.741 1.00 0.00 O ATOM 266 H GLU A 15 4.333 1.897 13.018 1.00 0.00 H ATOM 267 HA GLU A 15 4.368 0.694 15.628 1.00 0.00 H ATOM 268 HB2 GLU A 15 4.357 3.607 14.822 1.00 0.00 H ATOM 269 HB3 GLU A 15 4.647 3.003 16.445 1.00 0.00 H ATOM 270 HG2 GLU A 15 6.373 2.459 14.037 1.00 0.00 H ATOM 271 HG3 GLU A 15 6.717 3.627 15.310 1.00 0.00 H ATOM 272 N ARG A 16 1.716 2.382 14.618 1.00 0.00 N ATOM 273 CA ARG A 16 0.298 2.620 14.902 1.00 0.00 C ATOM 274 C ARG A 16 -0.498 1.318 14.811 1.00 0.00 C ATOM 275 O ARG A 16 -1.115 0.890 15.788 1.00 0.00 O ATOM 276 CB ARG A 16 -0.277 3.662 13.929 1.00 0.00 C ATOM 277 CG ARG A 16 -1.603 4.276 14.378 1.00 0.00 C ATOM 278 CD ARG A 16 -2.737 3.255 14.408 1.00 0.00 C ATOM 279 NE ARG A 16 -3.079 2.760 13.073 1.00 0.00 N ATOM 280 CZ ARG A 16 -3.758 3.465 12.163 1.00 0.00 C ATOM 281 NH1 ARG A 16 -4.208 4.685 12.449 1.00 0.00 N ATOM 282 NH2 ARG A 16 -3.998 2.945 10.965 1.00 0.00 N ATOM 283 H ARG A 16 2.102 2.729 13.786 1.00 0.00 H ATOM 284 HA ARG A 16 0.223 3.000 15.908 1.00 0.00 H ATOM 285 HB2 ARG A 16 0.441 4.460 13.813 1.00 0.00 H ATOM 286 HB3 ARG A 16 -0.432 3.191 12.969 1.00 0.00 H ATOM 287 HG2 ARG A 16 -1.481 4.684 15.369 1.00 0.00 H ATOM 288 HG3 ARG A 16 -1.866 5.070 13.693 1.00 0.00 H ATOM 289 HD2 ARG A 16 -2.441 2.424 15.025 1.00 0.00 H ATOM 290 HD3 ARG A 16 -3.609 3.724 14.840 1.00 0.00 H ATOM 291 HE ARG A 16 -2.778 1.857 12.837 1.00 0.00 H ATOM 292 HH11 ARG A 16 -4.041 5.083 13.350 1.00 0.00 H ATOM 293 HH12 ARG A 16 -4.718 5.203 11.762 1.00 0.00 H ATOM 294 HH21 ARG A 16 -3.671 2.026 10.744 1.00 0.00 H ATOM 295 HH22 ARG A 16 -4.507 3.472 10.284 1.00 0.00 H ATOM 296 N ASP A 17 -0.473 0.694 13.633 1.00 0.00 N ATOM 297 CA ASP A 17 -1.193 -0.559 13.410 1.00 0.00 C ATOM 298 C ASP A 17 -0.570 -1.716 14.194 1.00 0.00 C ATOM 299 O ASP A 17 -1.246 -2.696 14.510 1.00 0.00 O ATOM 300 CB ASP A 17 -1.264 -0.900 11.911 1.00 0.00 C ATOM 301 CG ASP A 17 0.071 -1.276 11.276 1.00 0.00 C ATOM 302 OD1 ASP A 17 0.834 -2.079 11.818 1.00 0.00 O ATOM 303 H ASP A 17 0.043 1.088 12.899 1.00 0.00 H ATOM 304 HA ASP A 17 -2.200 -0.415 13.774 1.00 0.00 H ATOM 305 HB2 ASP A 17 -1.943 -1.726 11.771 1.00 0.00 H ATOM 306 HB3 ASP A 17 -1.647 -0.040 11.388 1.00 0.00 H HETATM 307 N NH2 A 18 0.717 -1.609 14.514 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.204 -0.805 14.234 1.00 0.00 H HETATM 309 HN2 NH2 A 18 1.126 -2.339 15.017 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 11 HETATM 1 C ACE A 1 5.883 11.552 -2.652 1.00 0.00 C HETATM 2 O ACE A 1 5.812 11.222 -1.467 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.239 12.859 -3.007 1.00 0.00 C HETATM 4 H1 ACE A 1 5.533 13.239 -3.733 1.00 0.00 H HETATM 5 H2 ACE A 1 7.231 12.860 -3.432 1.00 0.00 H HETATM 6 H3 ACE A 1 6.230 13.488 -2.131 1.00 0.00 H ATOM 7 N THR A 2 5.630 10.707 -3.651 1.00 0.00 N ATOM 8 CA THR A 2 5.247 9.315 -3.416 1.00 0.00 C ATOM 9 C THR A 2 6.360 8.527 -2.719 1.00 0.00 C ATOM 10 O THR A 2 6.083 7.618 -1.933 1.00 0.00 O ATOM 11 CB THR A 2 4.868 8.603 -4.735 1.00 0.00 C ATOM 12 OG1 THR A 2 4.376 7.287 -4.459 1.00 0.00 O ATOM 13 CG2 THR A 2 6.059 8.511 -5.685 1.00 0.00 C ATOM 14 H THR A 2 5.703 11.028 -4.575 1.00 0.00 H ATOM 15 HA THR A 2 4.377 9.317 -2.777 1.00 0.00 H ATOM 16 HB THR A 2 4.089 9.174 -5.216 1.00 0.00 H ATOM 17 HG1 THR A 2 3.477 7.343 -4.123 1.00 0.00 H ATOM 18 HG21 THR A 2 5.713 8.234 -6.668 1.00 0.00 H ATOM 19 HG22 THR A 2 6.753 7.766 -5.323 1.00 0.00 H ATOM 20 HG23 THR A 2 6.554 9.470 -5.735 1.00 0.00 H ATOM 21 N ARG A 3 7.617 8.871 -3.022 1.00 0.00 N ATOM 22 CA ARG A 3 8.769 8.186 -2.435 1.00 0.00 C ATOM 23 C ARG A 3 8.753 8.291 -0.910 1.00 0.00 C ATOM 24 O ARG A 3 8.707 7.276 -0.218 1.00 0.00 O ATOM 25 CB ARG A 3 10.073 8.770 -2.987 1.00 0.00 C ATOM 26 CG ARG A 3 11.254 7.812 -2.911 1.00 0.00 C ATOM 27 CD ARG A 3 12.529 8.439 -3.465 1.00 0.00 C ATOM 28 NE ARG A 3 12.301 9.160 -4.721 1.00 0.00 N ATOM 29 CZ ARG A 3 11.862 8.599 -5.854 1.00 0.00 C ATOM 30 NH1 ARG A 3 11.666 7.285 -5.938 1.00 0.00 N ATOM 31 NH2 ARG A 3 11.634 9.362 -6.916 1.00 0.00 N ATOM 32 H ARG A 3 7.771 9.596 -3.663 1.00 0.00 H ATOM 33 HA ARG A 3 8.706 7.147 -2.709 1.00 0.00 H ATOM 34 HB2 ARG A 3 9.922 9.039 -4.021 1.00 0.00 H ATOM 35 HB3 ARG A 3 10.322 9.659 -2.426 1.00 0.00 H ATOM 36 HG2 ARG A 3 11.419 7.543 -1.879 1.00 0.00 H ATOM 37 HG3 ARG A 3 11.022 6.925 -3.481 1.00 0.00 H ATOM 38 HD2 ARG A 3 12.920 9.130 -2.735 1.00 0.00 H ATOM 39 HD3 ARG A 3 13.251 7.655 -3.639 1.00 0.00 H ATOM 40 HE ARG A 3 12.465 10.126 -4.716 1.00 0.00 H ATOM 41 HH11 ARG A 3 11.845 6.697 -5.150 1.00 0.00 H ATOM 42 HH12 ARG A 3 11.334 6.884 -6.793 1.00 0.00 H ATOM 43 HH21 ARG A 3 11.787 10.349 -6.865 1.00 0.00 H ATOM 44 HH22 ARG A 3 11.306 8.951 -7.767 1.00 0.00 H ATOM 45 N GLN A 4 8.778 9.523 -0.396 1.00 0.00 N ATOM 46 CA GLN A 4 8.755 9.757 1.050 1.00 0.00 C ATOM 47 C GLN A 4 7.417 9.331 1.653 1.00 0.00 C ATOM 48 O GLN A 4 7.375 8.786 2.756 1.00 0.00 O ATOM 49 CB GLN A 4 9.034 11.229 1.371 1.00 0.00 C ATOM 50 CG GLN A 4 8.933 11.557 2.857 1.00 0.00 C ATOM 51 CD GLN A 4 9.634 12.852 3.227 1.00 0.00 C ATOM 52 OE1 GLN A 4 9.271 13.928 2.750 1.00 0.00 O ATOM 53 NE2 GLN A 4 10.645 12.752 4.086 1.00 0.00 N ATOM 54 H GLN A 4 8.803 10.291 -1.004 1.00 0.00 H ATOM 55 HA GLN A 4 9.536 9.152 1.488 1.00 0.00 H ATOM 56 HB2 GLN A 4 10.031 11.478 1.033 1.00 0.00 H ATOM 57 HB3 GLN A 4 8.318 11.840 0.839 1.00 0.00 H ATOM 58 HG2 GLN A 4 7.890 11.648 3.122 1.00 0.00 H ATOM 59 HG3 GLN A 4 9.374 10.751 3.423 1.00 0.00 H ATOM 60 HE21 GLN A 4 10.876 11.863 4.430 1.00 0.00 H ATOM 61 HE22 GLN A 4 11.121 13.571 4.337 1.00 0.00 H ATOM 62 N ALA A 5 6.330 9.579 0.919 1.00 0.00 N ATOM 63 CA ALA A 5 4.992 9.216 1.375 1.00 0.00 C ATOM 64 C ALA A 5 4.925 7.731 1.720 1.00 0.00 C ATOM 65 O ALA A 5 4.429 7.355 2.781 1.00 0.00 O ATOM 66 CB ALA A 5 3.958 9.560 0.310 1.00 0.00 C ATOM 67 H ALA A 5 6.434 10.010 0.046 1.00 0.00 H ATOM 68 HA ALA A 5 4.771 9.794 2.261 1.00 0.00 H ATOM 69 HB1 ALA A 5 3.009 9.114 0.571 1.00 0.00 H ATOM 70 HB2 ALA A 5 4.285 9.179 -0.646 1.00 0.00 H ATOM 71 HB3 ALA A 5 3.847 10.632 0.250 1.00 0.00 H ATOM 72 N LYS A 6 5.446 6.901 0.818 1.00 0.00 N ATOM 73 CA LYS A 6 5.467 5.450 1.017 1.00 0.00 C ATOM 74 C LYS A 6 6.420 5.056 2.146 1.00 0.00 C ATOM 75 O LYS A 6 6.079 4.236 2.998 1.00 0.00 O ATOM 76 CB LYS A 6 5.874 4.737 -0.279 1.00 0.00 C ATOM 77 CG LYS A 6 6.066 3.237 -0.113 1.00 0.00 C ATOM 78 CD LYS A 6 4.765 2.540 0.247 1.00 0.00 C ATOM 79 CE LYS A 6 5.022 1.216 0.944 1.00 0.00 C ATOM 80 NZ LYS A 6 5.528 1.417 2.301 1.00 0.00 N ATOM 81 H LYS A 6 5.838 7.277 0.000 1.00 0.00 H ATOM 82 HA LYS A 6 4.470 5.140 1.286 1.00 0.00 H ATOM 83 HB2 LYS A 6 5.108 4.901 -1.023 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.802 5.162 -0.634 1.00 0.00 H ATOM 85 HG2 LYS A 6 6.434 2.827 -1.041 1.00 0.00 H ATOM 86 HG3 LYS A 6 6.788 3.060 0.672 1.00 0.00 H ATOM 87 HD2 LYS A 6 4.199 3.178 0.908 1.00 0.00 H ATOM 88 HD3 LYS A 6 4.201 2.361 -0.657 1.00 0.00 H ATOM 89 HE2 LYS A 6 4.096 0.661 0.992 1.00 0.00 H ATOM 90 HE3 LYS A 6 5.749 0.655 0.376 1.00 0.00 H ATOM 91 HZ1 LYS A 6 6.393 1.867 2.400 1.00 0.00 H ATOM 92 N ARG A 7 7.614 5.648 2.139 1.00 0.00 N ATOM 93 CA ARG A 7 8.630 5.368 3.156 1.00 0.00 C ATOM 94 C ARG A 7 8.097 5.628 4.563 1.00 0.00 C ATOM 95 O ARG A 7 8.334 4.842 5.482 1.00 0.00 O ATOM 96 CB ARG A 7 9.866 6.241 2.914 1.00 0.00 C ATOM 97 CG ARG A 7 10.588 5.950 1.608 1.00 0.00 C ATOM 98 CD ARG A 7 11.450 4.701 1.704 1.00 0.00 C ATOM 99 NE ARG A 7 12.240 4.484 0.492 1.00 0.00 N ATOM 100 CZ ARG A 7 13.215 5.299 0.073 1.00 0.00 C ATOM 101 NH1 ARG A 7 13.563 6.366 0.789 1.00 0.00 N ATOM 102 NH2 ARG A 7 13.853 5.040 -1.062 1.00 0.00 N ATOM 103 H ARG A 7 7.820 6.292 1.429 1.00 0.00 H ATOM 104 HA ARG A 7 8.909 4.330 3.074 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.562 7.277 2.905 1.00 0.00 H ATOM 106 HB3 ARG A 7 10.562 6.089 3.726 1.00 0.00 H ATOM 107 HG2 ARG A 7 9.854 5.802 0.831 1.00 0.00 H ATOM 108 HG3 ARG A 7 11.214 6.793 1.356 1.00 0.00 H ATOM 109 HD2 ARG A 7 12.120 4.805 2.545 1.00 0.00 H ATOM 110 HD3 ARG A 7 10.806 3.848 1.861 1.00 0.00 H ATOM 111 HE ARG A 7 12.025 3.695 -0.049 1.00 0.00 H ATOM 112 HH11 ARG A 7 13.098 6.567 1.651 1.00 0.00 H ATOM 113 HH12 ARG A 7 14.289 6.971 0.462 1.00 0.00 H ATOM 114 HH21 ARG A 7 13.605 4.236 -1.603 1.00 0.00 H ATOM 115 HH22 ARG A 7 14.581 5.649 -1.378 1.00 0.00 H ATOM 116 N ASN A 8 7.393 6.746 4.721 1.00 0.00 N ATOM 117 CA ASN A 8 6.837 7.142 6.011 1.00 0.00 C ATOM 118 C ASN A 8 5.527 6.418 6.336 1.00 0.00 C ATOM 119 O ASN A 8 5.303 6.037 7.481 1.00 0.00 O ATOM 120 CB ASN A 8 6.607 8.656 6.036 1.00 0.00 C ATOM 121 CG ASN A 8 6.025 9.135 7.354 1.00 0.00 C ATOM 122 OD1 ASN A 8 6.691 9.103 8.389 1.00 0.00 O ATOM 123 ND2 ASN A 8 4.771 9.567 7.324 1.00 0.00 N ATOM 124 H ASN A 8 7.256 7.332 3.947 1.00 0.00 H ATOM 125 HA ASN A 8 7.562 6.893 6.768 1.00 0.00 H ATOM 126 HB2 ASN A 8 7.551 9.158 5.879 1.00 0.00 H ATOM 127 HB3 ASN A 8 5.925 8.924 5.243 1.00 0.00 H ATOM 128 HD21 ASN A 8 4.295 9.552 6.467 1.00 0.00 H ATOM 129 HD22 ASN A 8 4.371 9.881 8.160 1.00 0.00 H ATOM 130 N ARG A 9 4.655 6.259 5.338 1.00 0.00 N ATOM 131 CA ARG A 9 3.357 5.610 5.546 1.00 0.00 C ATOM 132 C ARG A 9 3.506 4.161 6.006 1.00 0.00 C ATOM 133 O ARG A 9 2.820 3.733 6.936 1.00 0.00 O ATOM 134 CB ARG A 9 2.507 5.662 4.273 1.00 0.00 C ATOM 135 CG ARG A 9 1.075 5.199 4.496 1.00 0.00 C ATOM 136 CD ARG A 9 0.232 5.278 3.230 1.00 0.00 C ATOM 137 NE ARG A 9 0.730 4.402 2.167 1.00 0.00 N ATOM 138 CZ ARG A 9 1.659 4.748 1.270 1.00 0.00 C ATOM 139 NH1 ARG A 9 2.162 5.980 1.247 1.00 0.00 N ATOM 140 NH2 ARG A 9 2.073 3.858 0.377 1.00 0.00 N ATOM 141 H ARG A 9 4.880 6.600 4.449 1.00 0.00 H ATOM 142 HA ARG A 9 2.845 6.160 6.322 1.00 0.00 H ATOM 143 HB2 ARG A 9 2.484 6.679 3.907 1.00 0.00 H ATOM 144 HB3 ARG A 9 2.957 5.027 3.524 1.00 0.00 H ATOM 145 HG2 ARG A 9 1.090 4.175 4.838 1.00 0.00 H ATOM 146 HG3 ARG A 9 0.624 5.823 5.255 1.00 0.00 H ATOM 147 HD2 ARG A 9 -0.780 4.989 3.472 1.00 0.00 H ATOM 148 HD3 ARG A 9 0.236 6.298 2.876 1.00 0.00 H ATOM 149 HE ARG A 9 0.363 3.494 2.129 1.00 0.00 H ATOM 150 HH11 ARG A 9 1.848 6.664 1.904 1.00 0.00 H ATOM 151 HH12 ARG A 9 2.854 6.222 0.567 1.00 0.00 H ATOM 152 HH21 ARG A 9 1.691 2.933 0.378 1.00 0.00 H ATOM 153 HH22 ARG A 9 2.764 4.111 -0.301 1.00 0.00 H ATOM 154 N ASP A 10 4.394 3.409 5.356 1.00 0.00 N ATOM 155 CA ASP A 10 4.610 2.007 5.718 1.00 0.00 C ATOM 156 C ASP A 10 5.142 1.879 7.145 1.00 0.00 C ATOM 157 O ASP A 10 4.650 1.060 7.921 1.00 0.00 O ATOM 158 CB ASP A 10 5.557 1.317 4.726 1.00 0.00 C ATOM 159 CG ASP A 10 4.881 1.025 3.397 1.00 0.00 C ATOM 160 OD1 ASP A 10 3.792 0.446 3.360 1.00 0.00 O ATOM 161 H ASP A 10 4.913 3.804 4.623 1.00 0.00 H ATOM 162 HA ASP A 10 3.649 1.514 5.673 1.00 0.00 H ATOM 163 HB2 ASP A 10 6.407 1.960 4.542 1.00 0.00 H ATOM 164 HB3 ASP A 10 5.900 0.386 5.150 1.00 0.00 H ATOM 165 N ARG A 11 6.137 2.697 7.488 1.00 0.00 N ATOM 166 CA ARG A 11 6.721 2.672 8.830 1.00 0.00 C ATOM 167 C ARG A 11 5.751 3.230 9.865 1.00 0.00 C ATOM 168 O ARG A 11 5.562 2.643 10.927 1.00 0.00 O ATOM 169 CB ARG A 11 8.029 3.464 8.864 1.00 0.00 C ATOM 170 CG ARG A 11 9.163 2.816 8.083 1.00 0.00 C ATOM 171 CD ARG A 11 9.520 1.444 8.638 1.00 0.00 C ATOM 172 NE ARG A 11 9.833 1.488 10.071 1.00 0.00 N ATOM 173 CZ ARG A 11 9.074 0.940 11.029 1.00 0.00 C ATOM 174 NH1 ARG A 11 8.000 0.217 10.720 1.00 0.00 N ATOM 175 NH2 ARG A 11 9.406 1.096 12.307 1.00 0.00 N ATOM 176 H ARG A 11 6.482 3.335 6.828 1.00 0.00 H ATOM 177 HA ARG A 11 6.928 1.643 9.075 1.00 0.00 H ATOM 178 HB2 ARG A 11 7.852 4.446 8.450 1.00 0.00 H ATOM 179 HB3 ARG A 11 8.343 3.570 9.892 1.00 0.00 H ATOM 180 HG2 ARG A 11 8.859 2.707 7.053 1.00 0.00 H ATOM 181 HG3 ARG A 11 10.032 3.454 8.137 1.00 0.00 H ATOM 182 HD2 ARG A 11 8.686 0.781 8.479 1.00 0.00 H ATOM 183 HD3 ARG A 11 10.380 1.069 8.103 1.00 0.00 H ATOM 184 HE ARG A 11 10.641 1.976 10.337 1.00 0.00 H ATOM 185 HH11 ARG A 11 7.748 0.073 9.765 1.00 0.00 H ATOM 186 HH12 ARG A 11 7.443 -0.183 11.447 1.00 0.00 H ATOM 187 HH21 ARG A 11 10.221 1.622 12.552 1.00 0.00 H ATOM 188 HH22 ARG A 11 8.840 0.689 13.025 1.00 0.00 H ATOM 189 N ARG A 12 5.135 4.362 9.545 1.00 0.00 N ATOM 190 CA ARG A 12 4.178 4.995 10.449 1.00 0.00 C ATOM 191 C ARG A 12 3.065 4.027 10.838 1.00 0.00 C ATOM 192 O ARG A 12 2.718 3.907 12.014 1.00 0.00 O ATOM 193 CB ARG A 12 3.559 6.233 9.792 1.00 0.00 C ATOM 194 CG ARG A 12 2.457 6.874 10.622 1.00 0.00 C ATOM 195 CD ARG A 12 1.679 7.910 9.822 1.00 0.00 C ATOM 196 NE ARG A 12 0.527 8.426 10.563 1.00 0.00 N ATOM 197 CZ ARG A 12 -0.528 7.687 10.925 1.00 0.00 C ATOM 198 NH1 ARG A 12 -0.613 6.403 10.580 1.00 0.00 N ATOM 199 NH2 ARG A 12 -1.511 8.239 11.629 1.00 0.00 N ATOM 200 H ARG A 12 5.326 4.780 8.678 1.00 0.00 H ATOM 201 HA ARG A 12 4.711 5.297 11.337 1.00 0.00 H ATOM 202 HB2 ARG A 12 4.334 6.967 9.632 1.00 0.00 H ATOM 203 HB3 ARG A 12 3.142 5.947 8.838 1.00 0.00 H ATOM 204 HG2 ARG A 12 1.776 6.105 10.955 1.00 0.00 H ATOM 205 HG3 ARG A 12 2.903 7.356 11.480 1.00 0.00 H ATOM 206 HD2 ARG A 12 2.338 8.730 9.582 1.00 0.00 H ATOM 207 HD3 ARG A 12 1.329 7.451 8.908 1.00 0.00 H ATOM 208 HE ARG A 12 0.544 9.374 10.816 1.00 0.00 H ATOM 209 HH11 ARG A 12 0.114 5.976 10.044 1.00 0.00 H ATOM 210 HH12 ARG A 12 -1.408 5.863 10.861 1.00 0.00 H ATOM 211 HH21 ARG A 12 -1.461 9.203 11.888 1.00 0.00 H ATOM 212 HH22 ARG A 12 -2.303 7.689 11.899 1.00 0.00 H ATOM 213 N LYS A 13 2.502 3.355 9.837 1.00 0.00 N ATOM 214 CA LYS A 13 1.416 2.405 10.053 1.00 0.00 C ATOM 215 C LYS A 13 1.873 1.204 10.878 1.00 0.00 C ATOM 216 O LYS A 13 1.183 0.782 11.805 1.00 0.00 O ATOM 217 CB LYS A 13 0.852 1.944 8.699 1.00 0.00 C ATOM 218 CG LYS A 13 -0.202 0.849 8.804 1.00 0.00 C ATOM 219 CD LYS A 13 0.421 -0.525 9.037 1.00 0.00 C ATOM 220 CE LYS A 13 -0.547 -1.470 9.729 1.00 0.00 C ATOM 221 NZ LYS A 13 -1.084 -0.903 10.966 1.00 0.00 N ATOM 222 H LYS A 13 2.822 3.509 8.924 1.00 0.00 H ATOM 223 HA LYS A 13 0.638 2.918 10.595 1.00 0.00 H ATOM 224 HB2 LYS A 13 0.405 2.793 8.203 1.00 0.00 H ATOM 225 HB3 LYS A 13 1.667 1.574 8.093 1.00 0.00 H ATOM 226 HG2 LYS A 13 -0.861 1.079 9.627 1.00 0.00 H ATOM 227 HG3 LYS A 13 -0.769 0.825 7.885 1.00 0.00 H ATOM 228 HD2 LYS A 13 0.694 -0.950 8.083 1.00 0.00 H ATOM 229 HD3 LYS A 13 1.301 -0.420 9.645 1.00 0.00 H ATOM 230 HE2 LYS A 13 -1.366 -1.683 9.058 1.00 0.00 H ATOM 231 HE3 LYS A 13 -0.028 -2.388 9.961 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -1.685 -0.132 10.883 1.00 0.00 H ATOM 233 N ARG A 14 3.028 0.646 10.521 1.00 0.00 N ATOM 234 CA ARG A 14 3.567 -0.525 11.213 1.00 0.00 C ATOM 235 C ARG A 14 3.958 -0.211 12.657 1.00 0.00 C ATOM 236 O ARG A 14 3.704 -1.012 13.556 1.00 0.00 O ATOM 237 CB ARG A 14 4.766 -1.089 10.443 1.00 0.00 C ATOM 238 CG ARG A 14 4.510 -2.458 9.829 1.00 0.00 C ATOM 239 CD ARG A 14 4.496 -3.551 10.890 1.00 0.00 C ATOM 240 NE ARG A 14 5.788 -3.672 11.569 1.00 0.00 N ATOM 241 CZ ARG A 14 6.033 -4.525 12.567 1.00 0.00 C ATOM 242 NH1 ARG A 14 5.088 -5.362 12.989 1.00 0.00 N ATOM 243 NH2 ARG A 14 7.233 -4.546 13.138 1.00 0.00 N ATOM 244 H ARG A 14 3.525 1.023 9.763 1.00 0.00 H ATOM 245 HA ARG A 14 2.783 -1.270 11.231 1.00 0.00 H ATOM 246 HB2 ARG A 14 5.024 -0.406 9.647 1.00 0.00 H ATOM 247 HB3 ARG A 14 5.605 -1.174 11.117 1.00 0.00 H ATOM 248 HG2 ARG A 14 3.552 -2.444 9.332 1.00 0.00 H ATOM 249 HG3 ARG A 14 5.287 -2.674 9.111 1.00 0.00 H ATOM 250 HD2 ARG A 14 3.737 -3.314 11.621 1.00 0.00 H ATOM 251 HD3 ARG A 14 4.258 -4.493 10.417 1.00 0.00 H ATOM 252 HE ARG A 14 6.511 -3.079 11.271 1.00 0.00 H ATOM 253 HH11 ARG A 14 4.184 -5.359 12.559 1.00 0.00 H ATOM 254 HH12 ARG A 14 5.280 -5.997 13.738 1.00 0.00 H ATOM 255 HH21 ARG A 14 7.950 -3.924 12.820 1.00 0.00 H ATOM 256 HH22 ARG A 14 7.420 -5.181 13.888 1.00 0.00 H ATOM 257 N GLU A 15 4.571 0.948 12.878 1.00 0.00 N ATOM 258 CA GLU A 15 4.980 1.348 14.223 1.00 0.00 C ATOM 259 C GLU A 15 3.762 1.640 15.096 1.00 0.00 C ATOM 260 O GLU A 15 3.746 1.322 16.286 1.00 0.00 O ATOM 261 CB GLU A 15 5.888 2.584 14.174 1.00 0.00 C ATOM 262 CG GLU A 15 5.197 3.854 13.685 1.00 0.00 C ATOM 263 CD GLU A 15 6.107 5.076 13.660 1.00 0.00 C ATOM 264 OE1 GLU A 15 7.291 4.959 14.050 1.00 0.00 O ATOM 265 OE2 GLU A 15 5.630 6.157 13.253 1.00 0.00 O ATOM 266 H GLU A 15 4.746 1.550 12.124 1.00 0.00 H ATOM 267 HA GLU A 15 5.528 0.527 14.657 1.00 0.00 H ATOM 268 HB2 GLU A 15 6.267 2.770 15.167 1.00 0.00 H ATOM 269 HB3 GLU A 15 6.715 2.375 13.514 1.00 0.00 H ATOM 270 HG2 GLU A 15 4.832 3.684 12.686 1.00 0.00 H ATOM 271 HG3 GLU A 15 4.362 4.064 14.336 1.00 0.00 H ATOM 272 N ARG A 16 2.756 2.268 14.491 1.00 0.00 N ATOM 273 CA ARG A 16 1.531 2.638 15.193 1.00 0.00 C ATOM 274 C ARG A 16 0.628 1.437 15.470 1.00 0.00 C ATOM 275 O ARG A 16 0.293 1.166 16.625 1.00 0.00 O ATOM 276 CB ARG A 16 0.768 3.692 14.383 1.00 0.00 C ATOM 277 CG ARG A 16 -0.579 4.075 14.979 1.00 0.00 C ATOM 278 CD ARG A 16 -1.227 5.224 14.215 1.00 0.00 C ATOM 279 NE ARG A 16 -0.404 6.434 14.232 1.00 0.00 N ATOM 280 CZ ARG A 16 -0.135 7.147 15.332 1.00 0.00 C ATOM 281 NH1 ARG A 16 -0.639 6.794 16.513 1.00 0.00 N ATOM 282 NH2 ARG A 16 0.637 8.224 15.246 1.00 0.00 N ATOM 283 H ARG A 16 2.849 2.502 13.545 1.00 0.00 H ATOM 284 HA ARG A 16 1.816 3.071 16.136 1.00 0.00 H ATOM 285 HB2 ARG A 16 1.374 4.584 14.318 1.00 0.00 H ATOM 286 HB3 ARG A 16 0.601 3.309 13.387 1.00 0.00 H ATOM 287 HG2 ARG A 16 -1.235 3.217 14.941 1.00 0.00 H ATOM 288 HG3 ARG A 16 -0.434 4.371 16.006 1.00 0.00 H ATOM 289 HD2 ARG A 16 -1.379 4.920 13.191 1.00 0.00 H ATOM 290 HD3 ARG A 16 -2.183 5.445 14.669 1.00 0.00 H ATOM 291 HE ARG A 16 -0.025 6.729 13.379 1.00 0.00 H ATOM 292 HH11 ARG A 16 -1.226 5.990 16.590 1.00 0.00 H ATOM 293 HH12 ARG A 16 -0.427 7.337 17.327 1.00 0.00 H ATOM 294 HH21 ARG A 16 1.017 8.500 14.363 1.00 0.00 H ATOM 295 HH22 ARG A 16 0.837 8.762 16.066 1.00 0.00 H ATOM 296 N ASP A 17 0.215 0.732 14.415 1.00 0.00 N ATOM 297 CA ASP A 17 -0.675 -0.422 14.581 1.00 0.00 C ATOM 298 C ASP A 17 0.085 -1.691 14.962 1.00 0.00 C ATOM 299 O ASP A 17 -0.498 -2.635 15.496 1.00 0.00 O ATOM 300 CB ASP A 17 -1.534 -0.661 13.329 1.00 0.00 C ATOM 301 CG ASP A 17 -0.836 -1.387 12.184 1.00 0.00 C ATOM 302 OD1 ASP A 17 -0.136 -2.381 12.382 1.00 0.00 O ATOM 303 H ASP A 17 0.501 1.002 13.516 1.00 0.00 H ATOM 304 HA ASP A 17 -1.340 -0.182 15.399 1.00 0.00 H ATOM 305 HB2 ASP A 17 -2.401 -1.239 13.607 1.00 0.00 H ATOM 306 HB3 ASP A 17 -1.859 0.297 12.958 1.00 0.00 H HETATM 307 N NH2 A 18 1.384 -1.724 14.685 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.792 -0.941 14.261 1.00 0.00 H HETATM 309 HN2 NH2 A 18 1.882 -2.533 14.917 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 12 HETATM 1 C ACE A 1 6.416 11.247 -2.905 1.00 0.00 C HETATM 2 O ACE A 1 5.881 11.047 -1.813 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.873 12.526 -3.250 1.00 0.00 C HETATM 4 H1 ACE A 1 7.155 13.060 -2.353 1.00 0.00 H HETATM 5 H2 ACE A 1 6.089 13.062 -3.759 1.00 0.00 H HETATM 6 H3 ACE A 1 7.726 12.441 -3.905 1.00 0.00 H ATOM 7 N THR A 2 6.588 10.286 -3.810 1.00 0.00 N ATOM 8 CA THR A 2 6.153 8.912 -3.576 1.00 0.00 C ATOM 9 C THR A 2 6.985 8.220 -2.493 1.00 0.00 C ATOM 10 O THR A 2 6.433 7.610 -1.578 1.00 0.00 O ATOM 11 CB THR A 2 6.230 8.085 -4.873 1.00 0.00 C ATOM 12 OG1 THR A 2 5.347 8.637 -5.854 1.00 0.00 O ATOM 13 CG2 THR A 2 5.872 6.627 -4.625 1.00 0.00 C ATOM 14 H THR A 2 7.018 10.508 -4.664 1.00 0.00 H ATOM 15 HA THR A 2 5.123 8.941 -3.259 1.00 0.00 H ATOM 16 HB THR A 2 7.243 8.136 -5.245 1.00 0.00 H ATOM 17 HG1 THR A 2 5.851 9.174 -6.469 1.00 0.00 H ATOM 18 HG21 THR A 2 6.709 6.123 -4.164 1.00 0.00 H ATOM 19 HG22 THR A 2 5.638 6.149 -5.565 1.00 0.00 H ATOM 20 HG23 THR A 2 5.014 6.572 -3.971 1.00 0.00 H ATOM 21 N ARG A 3 8.312 8.311 -2.611 1.00 0.00 N ATOM 22 CA ARG A 3 9.225 7.685 -1.649 1.00 0.00 C ATOM 23 C ARG A 3 8.945 8.144 -0.216 1.00 0.00 C ATOM 24 O ARG A 3 8.883 7.324 0.702 1.00 0.00 O ATOM 25 CB ARG A 3 10.680 7.985 -2.037 1.00 0.00 C ATOM 26 CG ARG A 3 11.713 7.511 -1.023 1.00 0.00 C ATOM 27 CD ARG A 3 12.132 8.631 -0.078 1.00 0.00 C ATOM 28 NE ARG A 3 12.738 9.760 -0.788 1.00 0.00 N ATOM 29 CZ ARG A 3 13.885 9.696 -1.474 1.00 0.00 C ATOM 30 NH1 ARG A 3 14.596 8.571 -1.512 1.00 0.00 N ATOM 31 NH2 ARG A 3 14.332 10.773 -2.111 1.00 0.00 N ATOM 32 H ARG A 3 8.687 8.806 -3.370 1.00 0.00 H ATOM 33 HA ARG A 3 9.069 6.620 -1.701 1.00 0.00 H ATOM 34 HB2 ARG A 3 10.892 7.505 -2.980 1.00 0.00 H ATOM 35 HB3 ARG A 3 10.792 9.053 -2.156 1.00 0.00 H ATOM 36 HG2 ARG A 3 11.287 6.709 -0.441 1.00 0.00 H ATOM 37 HG3 ARG A 3 12.582 7.151 -1.552 1.00 0.00 H ATOM 38 HD2 ARG A 3 11.261 8.983 0.452 1.00 0.00 H ATOM 39 HD3 ARG A 3 12.847 8.239 0.631 1.00 0.00 H ATOM 40 HE ARG A 3 12.258 10.613 -0.763 1.00 0.00 H ATOM 41 HH11 ARG A 3 14.281 7.759 -1.023 1.00 0.00 H ATOM 42 HH12 ARG A 3 15.450 8.538 -2.032 1.00 0.00 H ATOM 43 HH21 ARG A 3 13.813 11.626 -2.077 1.00 0.00 H ATOM 44 HH22 ARG A 3 15.189 10.730 -2.626 1.00 0.00 H ATOM 45 N GLN A 4 8.775 9.453 -0.033 1.00 0.00 N ATOM 46 CA GLN A 4 8.501 10.021 1.291 1.00 0.00 C ATOM 47 C GLN A 4 7.122 9.610 1.806 1.00 0.00 C ATOM 48 O GLN A 4 6.985 9.200 2.955 1.00 0.00 O ATOM 49 CB GLN A 4 8.602 11.548 1.242 1.00 0.00 C ATOM 50 CG GLN A 4 8.229 12.241 2.547 1.00 0.00 C ATOM 51 CD GLN A 4 7.050 13.185 2.388 1.00 0.00 C ATOM 52 OE1 GLN A 4 7.029 14.021 1.484 1.00 0.00 O ATOM 53 NE2 GLN A 4 6.065 13.068 3.274 1.00 0.00 N ATOM 54 H GLN A 4 8.837 10.052 -0.806 1.00 0.00 H ATOM 55 HA GLN A 4 9.246 9.646 1.970 1.00 0.00 H ATOM 56 HB2 GLN A 4 9.617 11.819 1.000 1.00 0.00 H ATOM 57 HB3 GLN A 4 7.950 11.914 0.463 1.00 0.00 H ATOM 58 HG2 GLN A 4 7.973 11.491 3.279 1.00 0.00 H ATOM 59 HG3 GLN A 4 9.082 12.804 2.896 1.00 0.00 H ATOM 60 HE21 GLN A 4 6.147 12.385 3.973 1.00 0.00 H ATOM 61 HE22 GLN A 4 5.300 13.675 3.197 1.00 0.00 H ATOM 62 N ALA A 5 6.109 9.742 0.953 1.00 0.00 N ATOM 63 CA ALA A 5 4.736 9.403 1.326 1.00 0.00 C ATOM 64 C ALA A 5 4.551 7.913 1.604 1.00 0.00 C ATOM 65 O ALA A 5 3.899 7.541 2.579 1.00 0.00 O ATOM 66 CB ALA A 5 3.770 9.852 0.241 1.00 0.00 C ATOM 67 H ALA A 5 6.287 10.087 0.053 1.00 0.00 H ATOM 68 HA ALA A 5 4.497 9.950 2.224 1.00 0.00 H ATOM 69 HB1 ALA A 5 3.658 10.924 0.280 1.00 0.00 H ATOM 70 HB2 ALA A 5 2.810 9.383 0.400 1.00 0.00 H ATOM 71 HB3 ALA A 5 4.156 9.564 -0.725 1.00 0.00 H ATOM 72 N LYS A 6 5.103 7.065 0.738 1.00 0.00 N ATOM 73 CA LYS A 6 4.967 5.617 0.895 1.00 0.00 C ATOM 74 C LYS A 6 5.729 5.096 2.107 1.00 0.00 C ATOM 75 O LYS A 6 5.150 4.418 2.958 1.00 0.00 O ATOM 76 CB LYS A 6 5.432 4.887 -0.369 1.00 0.00 C ATOM 77 CG LYS A 6 5.486 3.375 -0.209 1.00 0.00 C ATOM 78 CD LYS A 6 4.134 2.807 0.199 1.00 0.00 C ATOM 79 CE LYS A 6 4.284 1.476 0.922 1.00 0.00 C ATOM 80 NZ LYS A 6 4.897 1.635 2.244 1.00 0.00 N ATOM 81 H LYS A 6 5.600 7.421 -0.027 1.00 0.00 H ATOM 82 HA LYS A 6 3.919 5.412 1.046 1.00 0.00 H ATOM 83 HB2 LYS A 6 4.753 5.118 -1.177 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.420 5.236 -0.627 1.00 0.00 H ATOM 85 HG2 LYS A 6 5.781 2.935 -1.151 1.00 0.00 H ATOM 86 HG3 LYS A 6 6.216 3.127 0.549 1.00 0.00 H ATOM 87 HD2 LYS A 6 3.644 3.508 0.858 1.00 0.00 H ATOM 88 HD3 LYS A 6 3.532 2.660 -0.686 1.00 0.00 H ATOM 89 HE2 LYS A 6 3.304 1.034 1.038 1.00 0.00 H ATOM 90 HE3 LYS A 6 4.904 0.823 0.325 1.00 0.00 H ATOM 91 HZ1 LYS A 6 5.765 2.083 2.289 1.00 0.00 H ATOM 92 N ARG A 7 7.023 5.400 2.181 1.00 0.00 N ATOM 93 CA ARG A 7 7.844 4.941 3.300 1.00 0.00 C ATOM 94 C ARG A 7 7.349 5.522 4.613 1.00 0.00 C ATOM 95 O ARG A 7 7.180 4.799 5.592 1.00 0.00 O ATOM 96 CB ARG A 7 9.321 5.275 3.086 1.00 0.00 C ATOM 97 CG ARG A 7 10.033 4.285 2.176 1.00 0.00 C ATOM 98 CD ARG A 7 11.533 4.543 2.132 1.00 0.00 C ATOM 99 NE ARG A 7 12.266 3.469 1.455 1.00 0.00 N ATOM 100 CZ ARG A 7 12.213 3.219 0.143 1.00 0.00 C ATOM 101 NH1 ARG A 7 11.482 3.977 -0.672 1.00 0.00 N ATOM 102 NH2 ARG A 7 12.910 2.205 -0.362 1.00 0.00 N ATOM 103 H ARG A 7 7.429 5.938 1.470 1.00 0.00 H ATOM 104 HA ARG A 7 7.741 3.867 3.352 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.398 6.258 2.646 1.00 0.00 H ATOM 106 HB3 ARG A 7 9.822 5.277 4.044 1.00 0.00 H ATOM 107 HG2 ARG A 7 9.861 3.283 2.545 1.00 0.00 H ATOM 108 HG3 ARG A 7 9.630 4.376 1.178 1.00 0.00 H ATOM 109 HD2 ARG A 7 11.711 5.470 1.606 1.00 0.00 H ATOM 110 HD3 ARG A 7 11.900 4.631 3.145 1.00 0.00 H ATOM 111 HE ARG A 7 12.829 2.894 2.015 1.00 0.00 H ATOM 112 HH11 ARG A 7 10.960 4.748 -0.310 1.00 0.00 H ATOM 113 HH12 ARG A 7 11.459 3.777 -1.651 1.00 0.00 H ATOM 114 HH21 ARG A 7 13.470 1.634 0.239 1.00 0.00 H ATOM 115 HH22 ARG A 7 12.875 2.014 -1.342 1.00 0.00 H ATOM 116 N ASN A 8 7.093 6.822 4.634 1.00 0.00 N ATOM 117 CA ASN A 8 6.591 7.457 5.845 1.00 0.00 C ATOM 118 C ASN A 8 5.274 6.811 6.269 1.00 0.00 C ATOM 119 O ASN A 8 5.027 6.625 7.456 1.00 0.00 O ATOM 120 CB ASN A 8 6.401 8.964 5.647 1.00 0.00 C ATOM 121 CG ASN A 8 5.925 9.658 6.911 1.00 0.00 C ATOM 122 OD1 ASN A 8 6.629 9.685 7.919 1.00 0.00 O ATOM 123 ND2 ASN A 8 4.721 10.216 6.867 1.00 0.00 N ATOM 124 H ASN A 8 7.227 7.356 3.824 1.00 0.00 H ATOM 125 HA ASN A 8 7.318 7.294 6.626 1.00 0.00 H ATOM 126 HB2 ASN A 8 7.342 9.404 5.351 1.00 0.00 H ATOM 127 HB3 ASN A 8 5.669 9.129 4.869 1.00 0.00 H ATOM 128 HD21 ASN A 8 4.210 10.150 6.032 1.00 0.00 H ATOM 129 HD22 ASN A 8 4.391 10.670 7.669 1.00 0.00 H ATOM 130 N ARG A 9 4.432 6.466 5.289 1.00 0.00 N ATOM 131 CA ARG A 9 3.142 5.837 5.568 1.00 0.00 C ATOM 132 C ARG A 9 3.317 4.405 6.081 1.00 0.00 C ATOM 133 O ARG A 9 2.771 4.047 7.126 1.00 0.00 O ATOM 134 CB ARG A 9 2.273 5.822 4.310 1.00 0.00 C ATOM 135 CG ARG A 9 0.954 5.085 4.493 1.00 0.00 C ATOM 136 CD ARG A 9 0.327 4.726 3.156 1.00 0.00 C ATOM 137 NE ARG A 9 -0.749 3.747 3.294 1.00 0.00 N ATOM 138 CZ ARG A 9 -0.568 2.478 3.669 1.00 0.00 C ATOM 139 NH1 ARG A 9 0.648 2.013 3.942 1.00 0.00 N ATOM 140 NH2 ARG A 9 -1.613 1.666 3.756 1.00 0.00 N ATOM 141 H ARG A 9 4.687 6.634 4.356 1.00 0.00 H ATOM 142 HA ARG A 9 2.646 6.421 6.329 1.00 0.00 H ATOM 143 HB2 ARG A 9 2.057 6.841 4.022 1.00 0.00 H ATOM 144 HB3 ARG A 9 2.822 5.341 3.513 1.00 0.00 H ATOM 145 HG2 ARG A 9 1.131 4.179 5.053 1.00 0.00 H ATOM 146 HG3 ARG A 9 0.272 5.721 5.040 1.00 0.00 H ATOM 147 HD2 ARG A 9 -0.074 5.622 2.710 1.00 0.00 H ATOM 148 HD3 ARG A 9 1.094 4.317 2.515 1.00 0.00 H ATOM 149 HE ARG A 9 -1.658 4.049 3.095 1.00 0.00 H ATOM 150 HH11 ARG A 9 1.445 2.612 3.866 1.00 0.00 H ATOM 151 HH12 ARG A 9 0.767 1.062 4.227 1.00 0.00 H ATOM 152 HH21 ARG A 9 -2.528 2.005 3.538 1.00 0.00 H ATOM 153 HH22 ARG A 9 -1.487 0.715 4.038 1.00 0.00 H ATOM 154 N ASP A 10 4.069 3.589 5.336 1.00 0.00 N ATOM 155 CA ASP A 10 4.299 2.195 5.719 1.00 0.00 C ATOM 156 C ASP A 10 4.980 2.102 7.084 1.00 0.00 C ATOM 157 O ASP A 10 4.598 1.283 7.913 1.00 0.00 O ATOM 158 CB ASP A 10 5.128 1.460 4.655 1.00 0.00 C ATOM 159 CG ASP A 10 4.343 1.205 3.376 1.00 0.00 C ATOM 160 OD1 ASP A 10 3.257 0.623 3.411 1.00 0.00 O ATOM 161 H ASP A 10 4.475 3.931 4.511 1.00 0.00 H ATOM 162 HA ASP A 10 3.331 1.718 5.790 1.00 0.00 H ATOM 163 HB2 ASP A 10 5.996 2.056 4.407 1.00 0.00 H ATOM 164 HB3 ASP A 10 5.453 0.509 5.053 1.00 0.00 H ATOM 165 N ARG A 11 5.984 2.948 7.309 1.00 0.00 N ATOM 166 CA ARG A 11 6.713 2.959 8.578 1.00 0.00 C ATOM 167 C ARG A 11 5.844 3.506 9.708 1.00 0.00 C ATOM 168 O ARG A 11 5.668 2.859 10.740 1.00 0.00 O ATOM 169 CB ARG A 11 7.983 3.807 8.449 1.00 0.00 C ATOM 170 CG ARG A 11 8.999 3.264 7.452 1.00 0.00 C ATOM 171 CD ARG A 11 9.687 2.013 7.977 1.00 0.00 C ATOM 172 NE ARG A 11 10.696 1.508 7.046 1.00 0.00 N ATOM 173 CZ ARG A 11 11.657 0.647 7.382 1.00 0.00 C ATOM 174 NH1 ARG A 11 11.784 0.229 8.641 1.00 0.00 N ATOM 175 NH2 ARG A 11 12.505 0.215 6.457 1.00 0.00 N ATOM 176 H ARG A 11 6.239 3.583 6.607 1.00 0.00 H ATOM 177 HA ARG A 11 6.986 1.941 8.812 1.00 0.00 H ATOM 178 HB2 ARG A 11 7.704 4.801 8.136 1.00 0.00 H ATOM 179 HB3 ARG A 11 8.459 3.867 9.416 1.00 0.00 H ATOM 180 HG2 ARG A 11 8.492 3.025 6.529 1.00 0.00 H ATOM 181 HG3 ARG A 11 9.747 4.023 7.266 1.00 0.00 H ATOM 182 HD2 ARG A 11 10.164 2.248 8.916 1.00 0.00 H ATOM 183 HD3 ARG A 11 8.941 1.247 8.135 1.00 0.00 H ATOM 184 HE ARG A 11 10.645 1.814 6.116 1.00 0.00 H ATOM 185 HH11 ARG A 11 11.156 0.558 9.346 1.00 0.00 H ATOM 186 HH12 ARG A 11 12.511 -0.414 8.883 1.00 0.00 H ATOM 187 HH21 ARG A 11 12.420 0.534 5.513 1.00 0.00 H ATOM 188 HH22 ARG A 11 13.230 -0.429 6.702 1.00 0.00 H ATOM 189 N ARG A 12 5.309 4.703 9.500 1.00 0.00 N ATOM 190 CA ARG A 12 4.457 5.352 10.491 1.00 0.00 C ATOM 191 C ARG A 12 3.331 4.419 10.939 1.00 0.00 C ATOM 192 O ARG A 12 3.126 4.217 12.137 1.00 0.00 O ATOM 193 CB ARG A 12 3.882 6.650 9.895 1.00 0.00 C ATOM 194 CG ARG A 12 2.978 7.455 10.822 1.00 0.00 C ATOM 195 CD ARG A 12 1.647 6.757 11.076 1.00 0.00 C ATOM 196 NE ARG A 12 0.661 7.638 11.704 1.00 0.00 N ATOM 197 CZ ARG A 12 0.780 8.170 12.924 1.00 0.00 C ATOM 198 NH1 ARG A 12 1.832 7.895 13.691 1.00 0.00 N ATOM 199 NH2 ARG A 12 -0.173 8.972 13.388 1.00 0.00 N ATOM 200 H ARG A 12 5.494 5.165 8.654 1.00 0.00 H ATOM 201 HA ARG A 12 5.069 5.598 11.347 1.00 0.00 H ATOM 202 HB2 ARG A 12 4.705 7.287 9.605 1.00 0.00 H ATOM 203 HB3 ARG A 12 3.313 6.398 9.010 1.00 0.00 H ATOM 204 HG2 ARG A 12 3.484 7.595 11.764 1.00 0.00 H ATOM 205 HG3 ARG A 12 2.787 8.418 10.370 1.00 0.00 H ATOM 206 HD2 ARG A 12 1.253 6.412 10.131 1.00 0.00 H ATOM 207 HD3 ARG A 12 1.817 5.909 11.722 1.00 0.00 H ATOM 208 HE ARG A 12 -0.140 7.850 11.182 1.00 0.00 H ATOM 209 HH11 ARG A 12 2.548 7.282 13.363 1.00 0.00 H ATOM 210 HH12 ARG A 12 1.905 8.303 14.602 1.00 0.00 H ATOM 211 HH21 ARG A 12 -0.975 9.173 12.826 1.00 0.00 H ATOM 212 HH22 ARG A 12 -0.089 9.375 14.300 1.00 0.00 H ATOM 213 N LYS A 13 2.595 3.867 9.974 1.00 0.00 N ATOM 214 CA LYS A 13 1.473 2.976 10.273 1.00 0.00 C ATOM 215 C LYS A 13 1.921 1.609 10.810 1.00 0.00 C ATOM 216 O LYS A 13 1.292 1.069 11.723 1.00 0.00 O ATOM 217 CB LYS A 13 0.592 2.794 9.029 1.00 0.00 C ATOM 218 CG LYS A 13 -0.616 1.904 9.273 1.00 0.00 C ATOM 219 CD LYS A 13 -1.502 2.453 10.384 1.00 0.00 C ATOM 220 CE LYS A 13 -2.376 1.366 10.983 1.00 0.00 C ATOM 221 NZ LYS A 13 -1.579 0.361 11.683 1.00 0.00 N ATOM 222 H LYS A 13 2.801 4.076 9.038 1.00 0.00 H ATOM 223 HA LYS A 13 0.884 3.455 11.037 1.00 0.00 H ATOM 224 HB2 LYS A 13 0.242 3.763 8.706 1.00 0.00 H ATOM 225 HB3 LYS A 13 1.185 2.352 8.240 1.00 0.00 H ATOM 226 HG2 LYS A 13 -1.195 1.844 8.363 1.00 0.00 H ATOM 227 HG3 LYS A 13 -0.275 0.917 9.549 1.00 0.00 H ATOM 228 HD2 LYS A 13 -0.875 2.863 11.162 1.00 0.00 H ATOM 229 HD3 LYS A 13 -2.134 3.231 9.980 1.00 0.00 H ATOM 230 HE2 LYS A 13 -3.065 1.818 11.681 1.00 0.00 H ATOM 231 HE3 LYS A 13 -2.931 0.886 10.191 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -0.862 -0.082 11.178 1.00 0.00 H ATOM 233 N ARG A 14 2.987 1.047 10.240 1.00 0.00 N ATOM 234 CA ARG A 14 3.487 -0.267 10.666 1.00 0.00 C ATOM 235 C ARG A 14 3.902 -0.266 12.139 1.00 0.00 C ATOM 236 O ARG A 14 3.607 -1.214 12.868 1.00 0.00 O ATOM 237 CB ARG A 14 4.670 -0.689 9.784 1.00 0.00 C ATOM 238 CG ARG A 14 5.185 -2.097 10.044 1.00 0.00 C ATOM 239 CD ARG A 14 4.234 -3.151 9.503 1.00 0.00 C ATOM 240 NE ARG A 14 4.799 -4.498 9.592 1.00 0.00 N ATOM 241 CZ ARG A 14 4.104 -5.615 9.369 1.00 0.00 C ATOM 242 NH1 ARG A 14 2.799 -5.558 9.113 1.00 0.00 N ATOM 243 NH2 ARG A 14 4.713 -6.792 9.417 1.00 0.00 N ATOM 244 H ARG A 14 3.446 1.518 9.510 1.00 0.00 H ATOM 245 HA ARG A 14 2.682 -0.979 10.539 1.00 0.00 H ATOM 246 HB2 ARG A 14 4.363 -0.637 8.750 1.00 0.00 H ATOM 247 HB3 ARG A 14 5.484 0.003 9.941 1.00 0.00 H ATOM 248 HG2 ARG A 14 6.145 -2.214 9.563 1.00 0.00 H ATOM 249 HG3 ARG A 14 5.295 -2.239 11.110 1.00 0.00 H ATOM 250 HD2 ARG A 14 3.314 -3.117 10.068 1.00 0.00 H ATOM 251 HD3 ARG A 14 4.026 -2.927 8.466 1.00 0.00 H ATOM 252 HE ARG A 14 5.752 -4.575 9.810 1.00 0.00 H ATOM 253 HH11 ARG A 14 2.331 -4.675 9.087 1.00 0.00 H ATOM 254 HH12 ARG A 14 2.285 -6.399 8.948 1.00 0.00 H ATOM 255 HH21 ARG A 14 5.691 -6.842 9.620 1.00 0.00 H ATOM 256 HH22 ARG A 14 4.195 -7.631 9.251 1.00 0.00 H ATOM 257 N GLU A 15 4.592 0.790 12.573 1.00 0.00 N ATOM 258 CA GLU A 15 5.046 0.890 13.963 1.00 0.00 C ATOM 259 C GLU A 15 3.902 1.242 14.916 1.00 0.00 C ATOM 260 O GLU A 15 3.848 0.733 16.037 1.00 0.00 O ATOM 261 CB GLU A 15 6.170 1.921 14.097 1.00 0.00 C ATOM 262 CG GLU A 15 7.410 1.584 13.275 1.00 0.00 C ATOM 263 CD GLU A 15 8.606 2.446 13.634 1.00 0.00 C ATOM 264 OE1 GLU A 15 8.482 3.689 13.583 1.00 0.00 O ATOM 265 OE2 GLU A 15 9.667 1.878 13.969 1.00 0.00 O ATOM 266 H GLU A 15 4.806 1.514 11.946 1.00 0.00 H ATOM 267 HA GLU A 15 5.435 -0.076 14.243 1.00 0.00 H ATOM 268 HB2 GLU A 15 5.798 2.881 13.772 1.00 0.00 H ATOM 269 HB3 GLU A 15 6.456 1.988 15.136 1.00 0.00 H ATOM 270 HG2 GLU A 15 7.668 0.548 13.445 1.00 0.00 H ATOM 271 HG3 GLU A 15 7.181 1.729 12.231 1.00 0.00 H ATOM 272 N ARG A 16 2.991 2.109 14.471 1.00 0.00 N ATOM 273 CA ARG A 16 1.852 2.523 15.296 1.00 0.00 C ATOM 274 C ARG A 16 0.992 1.317 15.666 1.00 0.00 C ATOM 275 O ARG A 16 0.679 1.097 16.836 1.00 0.00 O ATOM 276 CB ARG A 16 0.990 3.540 14.544 1.00 0.00 C ATOM 277 CG ARG A 16 0.399 4.623 15.430 1.00 0.00 C ATOM 278 CD ARG A 16 1.455 5.626 15.878 1.00 0.00 C ATOM 279 NE ARG A 16 1.721 5.560 17.317 1.00 0.00 N ATOM 280 CZ ARG A 16 0.826 5.863 18.264 1.00 0.00 C ATOM 281 NH1 ARG A 16 -0.406 6.248 17.939 1.00 0.00 N ATOM 282 NH2 ARG A 16 1.175 5.789 19.543 1.00 0.00 N ATOM 283 H ARG A 16 3.087 2.480 13.571 1.00 0.00 H ATOM 284 HA ARG A 16 2.231 2.974 16.198 1.00 0.00 H ATOM 285 HB2 ARG A 16 1.589 4.012 13.783 1.00 0.00 H ATOM 286 HB3 ARG A 16 0.174 3.016 14.070 1.00 0.00 H ATOM 287 HG2 ARG A 16 -0.366 5.146 14.877 1.00 0.00 H ATOM 288 HG3 ARG A 16 -0.038 4.160 16.302 1.00 0.00 H ATOM 289 HD2 ARG A 16 2.374 5.423 15.348 1.00 0.00 H ATOM 290 HD3 ARG A 16 1.112 6.618 15.631 1.00 0.00 H ATOM 291 HE ARG A 16 2.617 5.281 17.594 1.00 0.00 H ATOM 292 HH11 ARG A 16 -0.676 6.316 16.980 1.00 0.00 H ATOM 293 HH12 ARG A 16 -1.067 6.466 18.658 1.00 0.00 H ATOM 294 HH21 ARG A 16 2.101 5.509 19.794 1.00 0.00 H ATOM 295 HH22 ARG A 16 0.511 6.012 20.258 1.00 0.00 H ATOM 296 N ASP A 17 0.619 0.543 14.648 1.00 0.00 N ATOM 297 CA ASP A 17 -0.203 -0.650 14.833 1.00 0.00 C ATOM 298 C ASP A 17 0.620 -1.807 15.404 1.00 0.00 C ATOM 299 O ASP A 17 0.274 -2.371 16.441 1.00 0.00 O ATOM 300 CB ASP A 17 -0.843 -1.056 13.499 1.00 0.00 C ATOM 301 CG ASP A 17 -1.773 0.014 12.954 1.00 0.00 C ATOM 302 OD1 ASP A 17 -2.655 0.512 13.662 1.00 0.00 O ATOM 303 H ASP A 17 0.908 0.787 13.742 1.00 0.00 H ATOM 304 HA ASP A 17 -0.989 -0.403 15.533 1.00 0.00 H ATOM 305 HB2 ASP A 17 -0.064 -1.227 12.772 1.00 0.00 H ATOM 306 HB3 ASP A 17 -1.402 -1.966 13.631 1.00 0.00 H HETATM 307 N NH2 A 18 1.707 -2.165 14.727 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.927 -1.672 13.908 1.00 0.00 H HETATM 309 HN2 NH2 A 18 2.242 -2.909 15.072 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 13 HETATM 1 C ACE A 1 5.886 11.477 -2.813 1.00 0.00 C HETATM 2 O ACE A 1 5.774 11.186 -1.620 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.492 12.681 -3.199 1.00 0.00 C HETATM 4 H1 ACE A 1 6.588 13.326 -2.336 1.00 0.00 H HETATM 5 H2 ACE A 1 5.886 13.166 -3.946 1.00 0.00 H HETATM 6 H3 ACE A 1 7.468 12.477 -3.610 1.00 0.00 H ATOM 7 N THR A 2 5.448 10.684 -3.790 1.00 0.00 N ATOM 8 CA THR A 2 4.798 9.405 -3.514 1.00 0.00 C ATOM 9 C THR A 2 5.758 8.411 -2.852 1.00 0.00 C ATOM 10 O THR A 2 5.344 7.609 -2.013 1.00 0.00 O ATOM 11 CB THR A 2 4.210 8.783 -4.800 1.00 0.00 C ATOM 12 OG1 THR A 2 3.494 7.584 -4.483 1.00 0.00 O ATOM 13 CG2 THR A 2 5.299 8.471 -5.819 1.00 0.00 C ATOM 14 H THR A 2 5.564 10.968 -4.722 1.00 0.00 H ATOM 15 HA THR A 2 3.981 9.595 -2.834 1.00 0.00 H ATOM 16 HB THR A 2 3.525 9.494 -5.238 1.00 0.00 H ATOM 17 HG1 THR A 2 2.659 7.808 -4.063 1.00 0.00 H ATOM 18 HG21 THR A 2 5.843 9.373 -6.053 1.00 0.00 H ATOM 19 HG22 THR A 2 4.848 8.079 -6.720 1.00 0.00 H ATOM 20 HG23 THR A 2 5.978 7.738 -5.409 1.00 0.00 H ATOM 21 N ARG A 3 7.036 8.466 -3.236 1.00 0.00 N ATOM 22 CA ARG A 3 8.046 7.567 -2.679 1.00 0.00 C ATOM 23 C ARG A 3 8.306 7.885 -1.208 1.00 0.00 C ATOM 24 O ARG A 3 8.213 7.010 -0.348 1.00 0.00 O ATOM 25 CB ARG A 3 9.348 7.674 -3.474 1.00 0.00 C ATOM 26 CG ARG A 3 10.351 6.572 -3.170 1.00 0.00 C ATOM 27 CD ARG A 3 9.841 5.211 -3.622 1.00 0.00 C ATOM 28 NE ARG A 3 10.879 4.179 -3.554 1.00 0.00 N ATOM 29 CZ ARG A 3 10.707 2.917 -3.961 1.00 0.00 C ATOM 30 NH1 ARG A 3 9.534 2.516 -4.444 1.00 0.00 N ATOM 31 NH2 ARG A 3 11.713 2.052 -3.885 1.00 0.00 N ATOM 32 H ARG A 3 7.304 9.124 -3.912 1.00 0.00 H ATOM 33 HA ARG A 3 7.669 6.559 -2.755 1.00 0.00 H ATOM 34 HB2 ARG A 3 9.116 7.637 -4.528 1.00 0.00 H ATOM 35 HB3 ARG A 3 9.812 8.624 -3.252 1.00 0.00 H ATOM 36 HG2 ARG A 3 11.275 6.789 -3.684 1.00 0.00 H ATOM 37 HG3 ARG A 3 10.528 6.544 -2.104 1.00 0.00 H ATOM 38 HD2 ARG A 3 9.017 4.921 -2.985 1.00 0.00 H ATOM 39 HD3 ARG A 3 9.493 5.293 -4.642 1.00 0.00 H ATOM 40 HE ARG A 3 11.753 4.441 -3.193 1.00 0.00 H ATOM 41 HH11 ARG A 3 8.770 3.157 -4.505 1.00 0.00 H ATOM 42 HH12 ARG A 3 9.416 1.570 -4.748 1.00 0.00 H ATOM 43 HH21 ARG A 3 12.598 2.343 -3.522 1.00 0.00 H ATOM 44 HH22 ARG A 3 11.585 1.108 -4.191 1.00 0.00 H ATOM 45 N GLN A 4 8.620 9.145 -0.924 1.00 0.00 N ATOM 46 CA GLN A 4 8.880 9.576 0.448 1.00 0.00 C ATOM 47 C GLN A 4 7.674 9.268 1.333 1.00 0.00 C ATOM 48 O GLN A 4 7.822 8.765 2.448 1.00 0.00 O ATOM 49 CB GLN A 4 9.184 11.078 0.496 1.00 0.00 C ATOM 50 CG GLN A 4 9.592 11.582 1.875 1.00 0.00 C ATOM 51 CD GLN A 4 9.448 13.087 2.011 1.00 0.00 C ATOM 52 OE1 GLN A 4 8.349 13.631 1.876 1.00 0.00 O ATOM 53 NE2 GLN A 4 10.554 13.773 2.282 1.00 0.00 N ATOM 54 H GLN A 4 8.670 9.800 -1.650 1.00 0.00 H ATOM 55 HA GLN A 4 9.734 9.026 0.815 1.00 0.00 H ATOM 56 HB2 GLN A 4 9.987 11.292 -0.192 1.00 0.00 H ATOM 57 HB3 GLN A 4 8.303 11.620 0.186 1.00 0.00 H ATOM 58 HG2 GLN A 4 8.966 11.109 2.620 1.00 0.00 H ATOM 59 HG3 GLN A 4 10.626 11.316 2.052 1.00 0.00 H ATOM 60 HE21 GLN A 4 11.397 13.279 2.382 1.00 0.00 H ATOM 61 HE22 GLN A 4 10.482 14.747 2.376 1.00 0.00 H ATOM 62 N ALA A 5 6.482 9.571 0.814 1.00 0.00 N ATOM 63 CA ALA A 5 5.234 9.329 1.534 1.00 0.00 C ATOM 64 C ALA A 5 5.092 7.857 1.900 1.00 0.00 C ATOM 65 O ALA A 5 4.694 7.521 3.015 1.00 0.00 O ATOM 66 CB ALA A 5 4.048 9.779 0.697 1.00 0.00 C ATOM 67 H ALA A 5 6.443 9.964 -0.083 1.00 0.00 H ATOM 68 HA ALA A 5 5.251 9.917 2.440 1.00 0.00 H ATOM 69 HB1 ALA A 5 3.144 9.709 1.285 1.00 0.00 H ATOM 70 HB2 ALA A 5 3.961 9.146 -0.175 1.00 0.00 H ATOM 71 HB3 ALA A 5 4.196 10.802 0.386 1.00 0.00 H ATOM 72 N LYS A 6 5.434 6.987 0.951 1.00 0.00 N ATOM 73 CA LYS A 6 5.364 5.544 1.161 1.00 0.00 C ATOM 74 C LYS A 6 6.349 5.103 2.243 1.00 0.00 C ATOM 75 O LYS A 6 5.976 4.397 3.180 1.00 0.00 O ATOM 76 CB LYS A 6 5.653 4.804 -0.156 1.00 0.00 C ATOM 77 CG LYS A 6 6.102 3.360 0.028 1.00 0.00 C ATOM 78 CD LYS A 6 4.996 2.486 0.596 1.00 0.00 C ATOM 79 CE LYS A 6 5.561 1.275 1.322 1.00 0.00 C ATOM 80 NZ LYS A 6 6.105 1.632 2.634 1.00 0.00 N ATOM 81 H LYS A 6 5.751 7.326 0.088 1.00 0.00 H ATOM 82 HA LYS A 6 4.364 5.308 1.488 1.00 0.00 H ATOM 83 HB2 LYS A 6 4.757 4.804 -0.759 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.431 5.334 -0.687 1.00 0.00 H ATOM 85 HG2 LYS A 6 6.397 2.963 -0.932 1.00 0.00 H ATOM 86 HG3 LYS A 6 6.948 3.338 0.700 1.00 0.00 H ATOM 87 HD2 LYS A 6 4.409 3.068 1.290 1.00 0.00 H ATOM 88 HD3 LYS A 6 4.367 2.147 -0.214 1.00 0.00 H ATOM 89 HE2 LYS A 6 4.773 0.548 1.451 1.00 0.00 H ATOM 90 HE3 LYS A 6 6.351 0.846 0.720 1.00 0.00 H ATOM 91 HZ1 LYS A 6 6.869 2.246 2.658 1.00 0.00 H ATOM 92 N ARG A 7 7.603 5.530 2.105 1.00 0.00 N ATOM 93 CA ARG A 7 8.652 5.188 3.068 1.00 0.00 C ATOM 94 C ARG A 7 8.285 5.672 4.475 1.00 0.00 C ATOM 95 O ARG A 7 8.518 4.972 5.458 1.00 0.00 O ATOM 96 CB ARG A 7 9.993 5.795 2.627 1.00 0.00 C ATOM 97 CG ARG A 7 10.457 5.318 1.256 1.00 0.00 C ATOM 98 CD ARG A 7 10.948 3.879 1.300 1.00 0.00 C ATOM 99 NE ARG A 7 12.254 3.759 1.952 1.00 0.00 N ATOM 100 CZ ARG A 7 13.397 4.223 1.435 1.00 0.00 C ATOM 101 NH1 ARG A 7 13.412 4.815 0.242 1.00 0.00 N ATOM 102 NH2 ARG A 7 14.531 4.081 2.110 1.00 0.00 N ATOM 103 H ARG A 7 7.830 6.094 1.335 1.00 0.00 H ATOM 104 HA ARG A 7 8.743 4.113 3.087 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.898 6.870 2.597 1.00 0.00 H ATOM 106 HB3 ARG A 7 10.752 5.529 3.351 1.00 0.00 H ATOM 107 HG2 ARG A 7 9.630 5.381 0.564 1.00 0.00 H ATOM 108 HG3 ARG A 7 11.260 5.955 0.915 1.00 0.00 H ATOM 109 HD2 ARG A 7 10.232 3.286 1.848 1.00 0.00 H ATOM 110 HD3 ARG A 7 11.024 3.506 0.288 1.00 0.00 H ATOM 111 HE ARG A 7 12.282 3.316 2.827 1.00 0.00 H ATOM 112 HH11 ARG A 7 12.564 4.919 -0.277 1.00 0.00 H ATOM 113 HH12 ARG A 7 14.272 5.157 -0.134 1.00 0.00 H ATOM 114 HH21 ARG A 7 14.529 3.630 3.004 1.00 0.00 H ATOM 115 HH22 ARG A 7 15.389 4.426 1.726 1.00 0.00 H ATOM 116 N ASN A 8 7.706 6.870 4.558 1.00 0.00 N ATOM 117 CA ASN A 8 7.303 7.450 5.839 1.00 0.00 C ATOM 118 C ASN A 8 6.101 6.719 6.445 1.00 0.00 C ATOM 119 O ASN A 8 6.100 6.414 7.638 1.00 0.00 O ATOM 120 CB ASN A 8 6.983 8.944 5.665 1.00 0.00 C ATOM 121 CG ASN A 8 6.496 9.607 6.945 1.00 0.00 C ATOM 122 OD1 ASN A 8 5.429 9.277 7.466 1.00 0.00 O ATOM 123 ND2 ASN A 8 7.279 10.551 7.460 1.00 0.00 N ATOM 124 H ASN A 8 7.544 7.377 3.735 1.00 0.00 H ATOM 125 HA ASN A 8 8.135 7.352 6.517 1.00 0.00 H ATOM 126 HB2 ASN A 8 7.875 9.457 5.337 1.00 0.00 H ATOM 127 HB3 ASN A 8 6.216 9.054 4.912 1.00 0.00 H ATOM 128 HD21 ASN A 8 8.115 10.766 6.995 1.00 0.00 H ATOM 129 HD22 ASN A 8 6.987 10.994 8.284 1.00 0.00 H ATOM 130 N ARG A 9 5.074 6.460 5.632 1.00 0.00 N ATOM 131 CA ARG A 9 3.867 5.788 6.121 1.00 0.00 C ATOM 132 C ARG A 9 4.104 4.317 6.476 1.00 0.00 C ATOM 133 O ARG A 9 3.473 3.804 7.399 1.00 0.00 O ATOM 134 CB ARG A 9 2.706 5.931 5.130 1.00 0.00 C ATOM 135 CG ARG A 9 2.151 7.350 5.084 1.00 0.00 C ATOM 136 CD ARG A 9 0.725 7.415 4.545 1.00 0.00 C ATOM 137 NE ARG A 9 0.637 7.115 3.114 1.00 0.00 N ATOM 138 CZ ARG A 9 0.489 5.888 2.606 1.00 0.00 C ATOM 139 NH1 ARG A 9 0.360 4.833 3.406 1.00 0.00 N ATOM 140 NH2 ARG A 9 0.439 5.722 1.289 1.00 0.00 N ATOM 141 H ARG A 9 5.122 6.739 4.692 1.00 0.00 H ATOM 142 HA ARG A 9 3.585 6.297 7.032 1.00 0.00 H ATOM 143 HB2 ARG A 9 3.051 5.665 4.141 1.00 0.00 H ATOM 144 HB3 ARG A 9 1.911 5.262 5.422 1.00 0.00 H ATOM 145 HG2 ARG A 9 2.159 7.757 6.084 1.00 0.00 H ATOM 146 HG3 ARG A 9 2.789 7.950 4.451 1.00 0.00 H ATOM 147 HD2 ARG A 9 0.119 6.705 5.086 1.00 0.00 H ATOM 148 HD3 ARG A 9 0.340 8.410 4.715 1.00 0.00 H ATOM 149 HE ARG A 9 0.699 7.873 2.494 1.00 0.00 H ATOM 150 HH11 ARG A 9 0.369 4.951 4.397 1.00 0.00 H ATOM 151 HH12 ARG A 9 0.253 3.919 3.014 1.00 0.00 H ATOM 152 HH21 ARG A 9 0.510 6.512 0.681 1.00 0.00 H ATOM 153 HH22 ARG A 9 0.328 4.804 0.904 1.00 0.00 H ATOM 154 N ASP A 10 5.009 3.638 5.764 1.00 0.00 N ATOM 155 CA ASP A 10 5.296 2.229 6.058 1.00 0.00 C ATOM 156 C ASP A 10 5.808 2.056 7.488 1.00 0.00 C ATOM 157 O ASP A 10 5.393 1.134 8.194 1.00 0.00 O ATOM 158 CB ASP A 10 6.297 1.639 5.058 1.00 0.00 C ATOM 159 CG ASP A 10 5.616 1.168 3.783 1.00 0.00 C ATOM 160 OD1 ASP A 10 4.662 0.389 3.837 1.00 0.00 O ATOM 161 H ASP A 10 5.493 4.088 5.043 1.00 0.00 H ATOM 162 HA ASP A 10 4.365 1.688 5.969 1.00 0.00 H ATOM 163 HB2 ASP A 10 7.027 2.393 4.800 1.00 0.00 H ATOM 164 HB3 ASP A 10 6.797 0.796 5.511 1.00 0.00 H ATOM 165 N ARG A 11 6.698 2.952 7.917 1.00 0.00 N ATOM 166 CA ARG A 11 7.243 2.899 9.272 1.00 0.00 C ATOM 167 C ARG A 11 6.206 3.362 10.293 1.00 0.00 C ATOM 168 O ARG A 11 6.041 2.747 11.347 1.00 0.00 O ATOM 169 CB ARG A 11 8.513 3.753 9.388 1.00 0.00 C ATOM 170 CG ARG A 11 9.765 3.100 8.814 1.00 0.00 C ATOM 171 CD ARG A 11 9.730 3.018 7.294 1.00 0.00 C ATOM 172 NE ARG A 11 10.915 2.349 6.750 1.00 0.00 N ATOM 173 CZ ARG A 11 12.158 2.843 6.813 1.00 0.00 C ATOM 174 NH1 ARG A 11 12.385 4.050 7.323 1.00 0.00 N ATOM 175 NH2 ARG A 11 13.175 2.131 6.340 1.00 0.00 N ATOM 176 H ARG A 11 6.983 3.672 7.313 1.00 0.00 H ATOM 177 HA ARG A 11 7.490 1.869 9.484 1.00 0.00 H ATOM 178 HB2 ARG A 11 8.349 4.684 8.864 1.00 0.00 H ATOM 179 HB3 ARG A 11 8.692 3.968 10.431 1.00 0.00 H ATOM 180 HG2 ARG A 11 10.625 3.678 9.111 1.00 0.00 H ATOM 181 HG3 ARG A 11 9.848 2.100 9.216 1.00 0.00 H ATOM 182 HD2 ARG A 11 8.850 2.469 6.994 1.00 0.00 H ATOM 183 HD3 ARG A 11 9.682 4.020 6.896 1.00 0.00 H ATOM 184 HE ARG A 11 10.782 1.472 6.330 1.00 0.00 H ATOM 185 HH11 ARG A 11 11.626 4.604 7.664 1.00 0.00 H ATOM 186 HH12 ARG A 11 13.319 4.406 7.366 1.00 0.00 H ATOM 187 HH21 ARG A 11 13.011 1.230 5.937 1.00 0.00 H ATOM 188 HH22 ARG A 11 14.105 2.495 6.388 1.00 0.00 H ATOM 189 N ARG A 12 5.504 4.444 9.973 1.00 0.00 N ATOM 190 CA ARG A 12 4.477 4.980 10.863 1.00 0.00 C ATOM 191 C ARG A 12 3.342 3.975 11.059 1.00 0.00 C ATOM 192 O ARG A 12 2.903 3.745 12.187 1.00 0.00 O ATOM 193 CB ARG A 12 3.942 6.310 10.313 1.00 0.00 C ATOM 194 CG ARG A 12 2.720 6.853 11.045 1.00 0.00 C ATOM 195 CD ARG A 12 1.435 6.216 10.536 1.00 0.00 C ATOM 196 NE ARG A 12 0.250 6.975 10.931 1.00 0.00 N ATOM 197 CZ ARG A 12 -0.950 6.828 10.365 1.00 0.00 C ATOM 198 NH1 ARG A 12 -1.138 5.932 9.398 1.00 0.00 N ATOM 199 NH2 ARG A 12 -1.967 7.580 10.768 1.00 0.00 N ATOM 200 H ARG A 12 5.677 4.889 9.116 1.00 0.00 H ATOM 201 HA ARG A 12 4.942 5.162 11.822 1.00 0.00 H ATOM 202 HB2 ARG A 12 4.726 7.050 10.380 1.00 0.00 H ATOM 203 HB3 ARG A 12 3.680 6.175 9.274 1.00 0.00 H ATOM 204 HG2 ARG A 12 2.820 6.642 12.099 1.00 0.00 H ATOM 205 HG3 ARG A 12 2.666 7.919 10.893 1.00 0.00 H ATOM 206 HD2 ARG A 12 1.475 6.164 9.459 1.00 0.00 H ATOM 207 HD3 ARG A 12 1.359 5.217 10.941 1.00 0.00 H ATOM 208 HE ARG A 12 0.353 7.636 11.649 1.00 0.00 H ATOM 209 HH11 ARG A 12 -0.379 5.360 9.086 1.00 0.00 H ATOM 210 HH12 ARG A 12 -2.042 5.830 8.981 1.00 0.00 H ATOM 211 HH21 ARG A 12 -1.834 8.255 11.495 1.00 0.00 H ATOM 212 HH22 ARG A 12 -2.864 7.476 10.341 1.00 0.00 H ATOM 213 N LYS A 13 2.874 3.378 9.961 1.00 0.00 N ATOM 214 CA LYS A 13 1.793 2.396 10.020 1.00 0.00 C ATOM 215 C LYS A 13 2.204 1.200 10.865 1.00 0.00 C ATOM 216 O LYS A 13 1.443 0.750 11.719 1.00 0.00 O ATOM 217 CB LYS A 13 1.404 1.931 8.612 1.00 0.00 C ATOM 218 CG LYS A 13 0.208 0.983 8.573 1.00 0.00 C ATOM 219 CD LYS A 13 0.609 -0.448 8.218 1.00 0.00 C ATOM 220 CE LYS A 13 1.053 -1.248 9.437 1.00 0.00 C ATOM 221 NZ LYS A 13 0.008 -1.311 10.462 1.00 0.00 N ATOM 222 H LYS A 13 3.267 3.600 9.092 1.00 0.00 H ATOM 223 HA LYS A 13 0.942 2.871 10.482 1.00 0.00 H ATOM 224 HB2 LYS A 13 1.162 2.800 8.017 1.00 0.00 H ATOM 225 HB3 LYS A 13 2.250 1.428 8.165 1.00 0.00 H ATOM 226 HG2 LYS A 13 -0.265 0.980 9.545 1.00 0.00 H ATOM 227 HG3 LYS A 13 -0.494 1.343 7.835 1.00 0.00 H ATOM 228 HD2 LYS A 13 -0.238 -0.944 7.769 1.00 0.00 H ATOM 229 HD3 LYS A 13 1.423 -0.414 7.506 1.00 0.00 H ATOM 230 HE2 LYS A 13 1.293 -2.253 9.121 1.00 0.00 H ATOM 231 HE3 LYS A 13 1.931 -0.789 9.858 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -0.879 -0.966 10.221 1.00 0.00 H ATOM 233 N ARG A 14 3.415 0.694 10.627 1.00 0.00 N ATOM 234 CA ARG A 14 3.923 -0.453 11.376 1.00 0.00 C ATOM 235 C ARG A 14 3.912 -0.157 12.878 1.00 0.00 C ATOM 236 O ARG A 14 3.574 -1.024 13.684 1.00 0.00 O ATOM 237 CB ARG A 14 5.336 -0.817 10.908 1.00 0.00 C ATOM 238 CG ARG A 14 5.812 -2.173 11.398 1.00 0.00 C ATOM 239 CD ARG A 14 4.883 -3.286 10.932 1.00 0.00 C ATOM 240 NE ARG A 14 5.312 -4.601 11.404 1.00 0.00 N ATOM 241 CZ ARG A 14 5.291 -4.983 12.683 1.00 0.00 C ATOM 242 NH1 ARG A 14 4.822 -4.169 13.627 1.00 0.00 N ATOM 243 NH2 ARG A 14 5.728 -6.192 13.017 1.00 0.00 N ATOM 244 H ARG A 14 3.980 1.104 9.935 1.00 0.00 H ATOM 245 HA ARG A 14 3.260 -1.285 11.183 1.00 0.00 H ATOM 246 HB2 ARG A 14 5.354 -0.822 9.828 1.00 0.00 H ATOM 247 HB3 ARG A 14 6.025 -0.067 11.265 1.00 0.00 H ATOM 248 HG2 ARG A 14 6.803 -2.358 11.009 1.00 0.00 H ATOM 249 HG3 ARG A 14 5.842 -2.167 12.477 1.00 0.00 H ATOM 250 HD2 ARG A 14 3.891 -3.088 11.309 1.00 0.00 H ATOM 251 HD3 ARG A 14 4.861 -3.290 9.852 1.00 0.00 H ATOM 252 HE ARG A 14 5.642 -5.233 10.732 1.00 0.00 H ATOM 253 HH11 ARG A 14 4.477 -3.263 13.383 1.00 0.00 H ATOM 254 HH12 ARG A 14 4.814 -4.464 14.582 1.00 0.00 H ATOM 255 HH21 ARG A 14 6.068 -6.814 12.311 1.00 0.00 H ATOM 256 HH22 ARG A 14 5.716 -6.482 13.974 1.00 0.00 H ATOM 257 N GLU A 15 4.259 1.083 13.240 1.00 0.00 N ATOM 258 CA GLU A 15 4.260 1.514 14.636 1.00 0.00 C ATOM 259 C GLU A 15 2.822 1.663 15.152 1.00 0.00 C ATOM 260 O GLU A 15 2.528 1.333 16.302 1.00 0.00 O ATOM 261 CB GLU A 15 5.022 2.839 14.783 1.00 0.00 C ATOM 262 CG GLU A 15 4.960 3.457 16.177 1.00 0.00 C ATOM 263 CD GLU A 15 5.563 2.578 17.264 1.00 0.00 C ATOM 264 OE1 GLU A 15 5.022 1.481 17.518 1.00 0.00 O ATOM 265 OE2 GLU A 15 6.572 2.995 17.868 1.00 0.00 O ATOM 266 H GLU A 15 4.500 1.730 12.544 1.00 0.00 H ATOM 267 HA GLU A 15 4.761 0.753 15.215 1.00 0.00 H ATOM 268 HB2 GLU A 15 6.060 2.672 14.535 1.00 0.00 H ATOM 269 HB3 GLU A 15 4.610 3.551 14.083 1.00 0.00 H ATOM 270 HG2 GLU A 15 5.499 4.393 16.160 1.00 0.00 H ATOM 271 HG3 GLU A 15 3.926 3.647 16.424 1.00 0.00 H ATOM 272 N ARG A 16 1.933 2.160 14.286 1.00 0.00 N ATOM 273 CA ARG A 16 0.527 2.357 14.638 1.00 0.00 C ATOM 274 C ARG A 16 -0.182 1.021 14.876 1.00 0.00 C ATOM 275 O ARG A 16 -0.758 0.799 15.942 1.00 0.00 O ATOM 276 CB ARG A 16 -0.195 3.128 13.524 1.00 0.00 C ATOM 277 CG ARG A 16 -1.681 3.329 13.787 1.00 0.00 C ATOM 278 CD ARG A 16 -2.477 3.389 12.489 1.00 0.00 C ATOM 279 NE ARG A 16 -3.035 4.718 12.225 1.00 0.00 N ATOM 280 CZ ARG A 16 -3.943 5.322 13.002 1.00 0.00 C ATOM 281 NH1 ARG A 16 -4.374 4.742 14.119 1.00 0.00 N ATOM 282 NH2 ARG A 16 -4.425 6.511 12.655 1.00 0.00 N ATOM 283 H ARG A 16 2.231 2.400 13.385 1.00 0.00 H ATOM 284 HA ARG A 16 0.490 2.937 15.545 1.00 0.00 H ATOM 285 HB2 ARG A 16 0.264 4.099 13.421 1.00 0.00 H ATOM 286 HB3 ARG A 16 -0.086 2.586 12.596 1.00 0.00 H ATOM 287 HG2 ARG A 16 -2.049 2.508 14.383 1.00 0.00 H ATOM 288 HG3 ARG A 16 -1.817 4.257 14.326 1.00 0.00 H ATOM 289 HD2 ARG A 16 -1.826 3.118 11.671 1.00 0.00 H ATOM 290 HD3 ARG A 16 -3.287 2.677 12.551 1.00 0.00 H ATOM 291 HE ARG A 16 -2.731 5.179 11.416 1.00 0.00 H ATOM 292 HH11 ARG A 16 -4.023 3.847 14.390 1.00 0.00 H ATOM 293 HH12 ARG A 16 -5.050 5.205 14.692 1.00 0.00 H ATOM 294 HH21 ARG A 16 -4.112 6.953 11.816 1.00 0.00 H ATOM 295 HH22 ARG A 16 -5.103 6.964 13.235 1.00 0.00 H ATOM 296 N ASP A 17 -0.145 0.140 13.872 1.00 0.00 N ATOM 297 CA ASP A 17 -0.796 -1.171 13.974 1.00 0.00 C ATOM 298 C ASP A 17 -0.012 -2.139 14.860 1.00 0.00 C ATOM 299 O ASP A 17 -0.601 -2.948 15.576 1.00 0.00 O ATOM 300 CB ASP A 17 -1.039 -1.791 12.587 1.00 0.00 C ATOM 301 CG ASP A 17 0.185 -1.813 11.686 1.00 0.00 C ATOM 302 OD1 ASP A 17 1.255 -2.284 12.073 1.00 0.00 O ATOM 303 H ASP A 17 0.327 0.382 13.045 1.00 0.00 H ATOM 304 HA ASP A 17 -1.757 -1.005 14.439 1.00 0.00 H ATOM 305 HB2 ASP A 17 -1.381 -2.807 12.712 1.00 0.00 H ATOM 306 HB3 ASP A 17 -1.806 -1.225 12.089 1.00 0.00 H HETATM 307 N NH2 A 18 1.312 -2.062 14.817 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.721 -1.397 14.226 1.00 0.00 H HETATM 309 HN2 NH2 A 18 1.826 -2.675 15.378 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 14 HETATM 1 C ACE A 1 7.065 11.208 -2.920 1.00 0.00 C HETATM 2 O ACE A 1 6.487 10.968 -1.859 1.00 0.00 O HETATM 3 CH3 ACE A 1 7.858 12.355 -3.051 1.00 0.00 C HETATM 4 H1 ACE A 1 8.853 12.067 -3.363 1.00 0.00 H HETATM 5 H2 ACE A 1 7.910 12.867 -2.103 1.00 0.00 H HETATM 6 H3 ACE A 1 7.426 13.013 -3.788 1.00 0.00 H ATOM 7 N THR A 2 6.979 10.407 -3.985 1.00 0.00 N ATOM 8 CA THR A 2 6.185 9.177 -3.968 1.00 0.00 C ATOM 9 C THR A 2 6.729 8.190 -2.940 1.00 0.00 C ATOM 10 O THR A 2 5.982 7.677 -2.107 1.00 0.00 O ATOM 11 CB THR A 2 6.169 8.504 -5.357 1.00 0.00 C ATOM 12 OG1 THR A 2 5.594 9.391 -6.325 1.00 0.00 O ATOM 13 CG2 THR A 2 5.384 7.195 -5.333 1.00 0.00 C ATOM 14 H THR A 2 7.464 10.648 -4.803 1.00 0.00 H ATOM 15 HA THR A 2 5.172 9.437 -3.703 1.00 0.00 H ATOM 16 HB THR A 2 7.191 8.292 -5.641 1.00 0.00 H ATOM 17 HG1 THR A 2 5.894 9.144 -7.203 1.00 0.00 H ATOM 18 HG21 THR A 2 4.464 7.336 -4.783 1.00 0.00 H ATOM 19 HG22 THR A 2 5.974 6.428 -4.854 1.00 0.00 H ATOM 20 HG23 THR A 2 5.155 6.893 -6.344 1.00 0.00 H ATOM 21 N ARG A 3 8.035 7.937 -3.003 1.00 0.00 N ATOM 22 CA ARG A 3 8.683 7.018 -2.072 1.00 0.00 C ATOM 23 C ARG A 3 8.646 7.559 -0.643 1.00 0.00 C ATOM 24 O ARG A 3 8.386 6.812 0.297 1.00 0.00 O ATOM 25 CB ARG A 3 10.131 6.743 -2.488 1.00 0.00 C ATOM 26 CG ARG A 3 10.971 7.996 -2.679 1.00 0.00 C ATOM 27 CD ARG A 3 12.456 7.679 -2.812 1.00 0.00 C ATOM 28 NE ARG A 3 13.073 7.373 -1.517 1.00 0.00 N ATOM 29 CZ ARG A 3 12.975 6.203 -0.877 1.00 0.00 C ATOM 30 NH1 ARG A 3 12.442 5.137 -1.469 1.00 0.00 N ATOM 31 NH2 ARG A 3 13.460 6.090 0.355 1.00 0.00 N ATOM 32 H ARG A 3 8.573 8.384 -3.688 1.00 0.00 H ATOM 33 HA ARG A 3 8.133 6.092 -2.098 1.00 0.00 H ATOM 34 HB2 ARG A 3 10.595 6.142 -1.725 1.00 0.00 H ATOM 35 HB3 ARG A 3 10.128 6.192 -3.417 1.00 0.00 H ATOM 36 HG2 ARG A 3 10.642 8.506 -3.571 1.00 0.00 H ATOM 37 HG3 ARG A 3 10.828 8.640 -1.823 1.00 0.00 H ATOM 38 HD2 ARG A 3 12.575 6.832 -3.470 1.00 0.00 H ATOM 39 HD3 ARG A 3 12.955 8.536 -3.241 1.00 0.00 H ATOM 40 HE ARG A 3 13.549 8.105 -1.072 1.00 0.00 H ATOM 41 HH11 ARG A 3 12.109 5.198 -2.408 1.00 0.00 H ATOM 42 HH12 ARG A 3 12.372 4.272 -0.971 1.00 0.00 H ATOM 43 HH21 ARG A 3 13.894 6.876 0.795 1.00 0.00 H ATOM 44 HH22 ARG A 3 13.387 5.221 0.845 1.00 0.00 H ATOM 45 N GLN A 4 8.908 8.859 -0.487 1.00 0.00 N ATOM 46 CA GLN A 4 8.907 9.491 0.830 1.00 0.00 C ATOM 47 C GLN A 4 7.543 9.339 1.496 1.00 0.00 C ATOM 48 O GLN A 4 7.456 8.992 2.673 1.00 0.00 O ATOM 49 CB GLN A 4 9.275 10.972 0.717 1.00 0.00 C ATOM 50 CG GLN A 4 9.629 11.609 2.050 1.00 0.00 C ATOM 51 CD GLN A 4 10.892 11.019 2.655 1.00 0.00 C ATOM 52 OE1 GLN A 4 11.970 11.088 2.061 1.00 0.00 O ATOM 53 NE2 GLN A 4 10.766 10.434 3.842 1.00 0.00 N ATOM 54 H GLN A 4 9.106 9.404 -1.276 1.00 0.00 H ATOM 55 HA GLN A 4 9.645 8.993 1.438 1.00 0.00 H ATOM 56 HB2 GLN A 4 10.126 11.072 0.056 1.00 0.00 H ATOM 57 HB3 GLN A 4 8.436 11.510 0.296 1.00 0.00 H ATOM 58 HG2 GLN A 4 9.777 12.667 1.903 1.00 0.00 H ATOM 59 HG3 GLN A 4 8.812 11.452 2.737 1.00 0.00 H ATOM 60 HE21 GLN A 4 9.879 10.416 4.258 1.00 0.00 H ATOM 61 HE22 GLN A 4 11.565 10.041 4.250 1.00 0.00 H ATOM 62 N ALA A 5 6.484 9.596 0.728 1.00 0.00 N ATOM 63 CA ALA A 5 5.118 9.484 1.231 1.00 0.00 C ATOM 64 C ALA A 5 4.793 8.050 1.635 1.00 0.00 C ATOM 65 O ALA A 5 4.223 7.814 2.698 1.00 0.00 O ATOM 66 CB ALA A 5 4.132 9.965 0.178 1.00 0.00 C ATOM 67 H ALA A 5 6.628 9.863 -0.205 1.00 0.00 H ATOM 68 HA ALA A 5 5.026 10.123 2.096 1.00 0.00 H ATOM 69 HB1 ALA A 5 4.512 9.725 -0.804 1.00 0.00 H ATOM 70 HB2 ALA A 5 4.005 11.033 0.264 1.00 0.00 H ATOM 71 HB3 ALA A 5 3.180 9.476 0.326 1.00 0.00 H ATOM 72 N LYS A 6 5.159 7.099 0.777 1.00 0.00 N ATOM 73 CA LYS A 6 4.905 5.686 1.036 1.00 0.00 C ATOM 74 C LYS A 6 5.713 5.183 2.232 1.00 0.00 C ATOM 75 O LYS A 6 5.152 4.613 3.168 1.00 0.00 O ATOM 76 CB LYS A 6 5.228 4.856 -0.210 1.00 0.00 C ATOM 77 CG LYS A 6 5.198 3.363 0.046 1.00 0.00 C ATOM 78 CD LYS A 6 3.815 2.900 0.467 1.00 0.00 C ATOM 79 CE LYS A 6 3.887 1.611 1.266 1.00 0.00 C ATOM 80 NZ LYS A 6 4.497 1.824 2.577 1.00 0.00 N ATOM 81 H LYS A 6 5.610 7.354 -0.054 1.00 0.00 H ATOM 82 HA LYS A 6 3.856 5.578 1.264 1.00 0.00 H ATOM 83 HB2 LYS A 6 4.504 5.085 -0.979 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.213 5.122 -0.561 1.00 0.00 H ATOM 85 HG2 LYS A 6 5.483 2.845 -0.856 1.00 0.00 H ATOM 86 HG3 LYS A 6 5.900 3.132 0.834 1.00 0.00 H ATOM 87 HD2 LYS A 6 3.359 3.665 1.077 1.00 0.00 H ATOM 88 HD3 LYS A 6 3.215 2.734 -0.416 1.00 0.00 H ATOM 89 HE2 LYS A 6 2.889 1.227 1.400 1.00 0.00 H ATOM 90 HE3 LYS A 6 4.479 0.893 0.716 1.00 0.00 H ATOM 91 HZ1 LYS A 6 5.394 2.218 2.600 1.00 0.00 H ATOM 92 N ARG A 7 7.025 5.409 2.195 1.00 0.00 N ATOM 93 CA ARG A 7 7.908 4.992 3.282 1.00 0.00 C ATOM 94 C ARG A 7 7.442 5.598 4.600 1.00 0.00 C ATOM 95 O ARG A 7 7.376 4.911 5.620 1.00 0.00 O ATOM 96 CB ARG A 7 9.356 5.404 2.987 1.00 0.00 C ATOM 97 CG ARG A 7 10.152 4.363 2.207 1.00 0.00 C ATOM 98 CD ARG A 7 9.368 3.806 1.027 1.00 0.00 C ATOM 99 NE ARG A 7 10.186 2.925 0.193 1.00 0.00 N ATOM 100 CZ ARG A 7 9.708 2.186 -0.810 1.00 0.00 C ATOM 101 NH1 ARG A 7 8.403 2.171 -1.075 1.00 0.00 N ATOM 102 NH2 ARG A 7 10.538 1.452 -1.541 1.00 0.00 N ATOM 103 H ARG A 7 7.406 5.877 1.422 1.00 0.00 H ATOM 104 HA ARG A 7 7.856 3.918 3.359 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.346 6.320 2.416 1.00 0.00 H ATOM 106 HB3 ARG A 7 9.864 5.583 3.924 1.00 0.00 H ATOM 107 HG2 ARG A 7 11.055 4.823 1.837 1.00 0.00 H ATOM 108 HG3 ARG A 7 10.408 3.552 2.873 1.00 0.00 H ATOM 109 HD2 ARG A 7 8.524 3.245 1.405 1.00 0.00 H ATOM 110 HD3 ARG A 7 9.012 4.629 0.426 1.00 0.00 H ATOM 111 HE ARG A 7 11.148 2.895 0.379 1.00 0.00 H ATOM 112 HH11 ARG A 7 7.772 2.714 -0.523 1.00 0.00 H ATOM 113 HH12 ARG A 7 8.052 1.614 -1.828 1.00 0.00 H ATOM 114 HH21 ARG A 7 11.518 1.453 -1.337 1.00 0.00 H ATOM 115 HH22 ARG A 7 10.187 0.897 -2.294 1.00 0.00 H ATOM 116 N ASN A 8 7.109 6.886 4.562 1.00 0.00 N ATOM 117 CA ASN A 8 6.633 7.599 5.743 1.00 0.00 C ATOM 118 C ASN A 8 5.312 7.013 6.241 1.00 0.00 C ATOM 119 O ASN A 8 5.174 6.713 7.423 1.00 0.00 O ATOM 120 CB ASN A 8 6.440 9.089 5.423 1.00 0.00 C ATOM 121 CG ASN A 8 6.231 9.942 6.665 1.00 0.00 C ATOM 122 OD1 ASN A 8 5.278 9.741 7.417 1.00 0.00 O ATOM 123 ND2 ASN A 8 7.117 10.914 6.880 1.00 0.00 N ATOM 124 H ASN A 8 7.181 7.371 3.712 1.00 0.00 H ATOM 125 HA ASN A 8 7.376 7.499 6.517 1.00 0.00 H ATOM 126 HB2 ASN A 8 7.309 9.459 4.900 1.00 0.00 H ATOM 127 HB3 ASN A 8 5.572 9.197 4.788 1.00 0.00 H ATOM 128 HD21 ASN A 8 7.846 11.028 6.238 1.00 0.00 H ATOM 129 HD22 ASN A 8 7.001 11.478 7.675 1.00 0.00 H ATOM 130 N ARG A 9 4.345 6.868 5.328 1.00 0.00 N ATOM 131 CA ARG A 9 3.020 6.343 5.666 1.00 0.00 C ATOM 132 C ARG A 9 3.077 4.922 6.206 1.00 0.00 C ATOM 133 O ARG A 9 2.484 4.634 7.248 1.00 0.00 O ATOM 134 CB ARG A 9 2.094 6.427 4.452 1.00 0.00 C ATOM 135 CG ARG A 9 1.565 7.832 4.206 1.00 0.00 C ATOM 136 CD ARG A 9 0.150 8.002 4.748 1.00 0.00 C ATOM 137 NE ARG A 9 0.028 7.616 6.158 1.00 0.00 N ATOM 138 CZ ARG A 9 -1.122 7.624 6.839 1.00 0.00 C ATOM 139 NH1 ARG A 9 -2.247 8.042 6.261 1.00 0.00 N ATOM 140 NH2 ARG A 9 -1.142 7.220 8.105 1.00 0.00 N ATOM 141 H ARG A 9 4.526 7.131 4.400 1.00 0.00 H ATOM 142 HA ARG A 9 2.619 6.977 6.442 1.00 0.00 H ATOM 143 HB2 ARG A 9 2.636 6.108 3.573 1.00 0.00 H ATOM 144 HB3 ARG A 9 1.252 5.768 4.605 1.00 0.00 H ATOM 145 HG2 ARG A 9 2.216 8.541 4.698 1.00 0.00 H ATOM 146 HG3 ARG A 9 1.560 8.024 3.144 1.00 0.00 H ATOM 147 HD2 ARG A 9 -0.136 9.038 4.646 1.00 0.00 H ATOM 148 HD3 ARG A 9 -0.515 7.388 4.160 1.00 0.00 H ATOM 149 HE ARG A 9 0.840 7.326 6.620 1.00 0.00 H ATOM 150 HH11 ARG A 9 -2.237 8.358 5.313 1.00 0.00 H ATOM 151 HH12 ARG A 9 -3.106 8.040 6.776 1.00 0.00 H ATOM 152 HH21 ARG A 9 -0.297 6.916 8.547 1.00 0.00 H ATOM 153 HH22 ARG A 9 -2.001 7.217 8.618 1.00 0.00 H ATOM 154 N ASP A 10 3.795 4.038 5.516 1.00 0.00 N ATOM 155 CA ASP A 10 3.920 2.658 5.977 1.00 0.00 C ATOM 156 C ASP A 10 4.601 2.621 7.337 1.00 0.00 C ATOM 157 O ASP A 10 4.199 1.864 8.214 1.00 0.00 O ATOM 158 CB ASP A 10 4.702 1.803 4.983 1.00 0.00 C ATOM 159 CG ASP A 10 3.909 1.510 3.726 1.00 0.00 C ATOM 160 OD1 ASP A 10 2.786 1.004 3.793 1.00 0.00 O ATOM 161 H ASP A 10 4.260 4.323 4.699 1.00 0.00 H ATOM 162 HA ASP A 10 2.922 2.254 6.079 1.00 0.00 H ATOM 163 HB2 ASP A 10 5.605 2.324 4.703 1.00 0.00 H ATOM 164 HB3 ASP A 10 4.963 0.865 5.451 1.00 0.00 H ATOM 165 N ARG A 11 5.625 3.459 7.496 1.00 0.00 N ATOM 166 CA ARG A 11 6.367 3.547 8.745 1.00 0.00 C ATOM 167 C ARG A 11 5.436 3.938 9.896 1.00 0.00 C ATOM 168 O ARG A 11 5.563 3.415 11.003 1.00 0.00 O ATOM 169 CB ARG A 11 7.518 4.546 8.596 1.00 0.00 C ATOM 170 CG ARG A 11 8.780 4.132 9.335 1.00 0.00 C ATOM 171 CD ARG A 11 9.987 4.923 8.856 1.00 0.00 C ATOM 172 NE ARG A 11 9.853 6.352 9.134 1.00 0.00 N ATOM 173 CZ ARG A 11 9.935 6.894 10.352 1.00 0.00 C ATOM 174 NH1 ARG A 11 10.185 6.137 11.418 1.00 0.00 N ATOM 175 NH2 ARG A 11 9.771 8.203 10.500 1.00 0.00 N ATOM 176 H ARG A 11 5.883 4.040 6.750 1.00 0.00 H ATOM 177 HA ARG A 11 6.775 2.571 8.954 1.00 0.00 H ATOM 178 HB2 ARG A 11 7.760 4.646 7.548 1.00 0.00 H ATOM 179 HB3 ARG A 11 7.202 5.508 8.976 1.00 0.00 H ATOM 180 HG2 ARG A 11 8.643 4.308 10.391 1.00 0.00 H ATOM 181 HG3 ARG A 11 8.956 3.081 9.163 1.00 0.00 H ATOM 182 HD2 ARG A 11 10.868 4.549 9.355 1.00 0.00 H ATOM 183 HD3 ARG A 11 10.093 4.784 7.789 1.00 0.00 H ATOM 184 HE ARG A 11 9.680 6.942 8.373 1.00 0.00 H ATOM 185 HH11 ARG A 11 10.315 5.152 11.315 1.00 0.00 H ATOM 186 HH12 ARG A 11 10.249 6.556 12.323 1.00 0.00 H ATOM 187 HH21 ARG A 11 9.588 8.777 9.702 1.00 0.00 H ATOM 188 HH22 ARG A 11 9.835 8.617 11.408 1.00 0.00 H ATOM 189 N ARG A 12 4.482 4.838 9.618 1.00 0.00 N ATOM 190 CA ARG A 12 3.510 5.268 10.628 1.00 0.00 C ATOM 191 C ARG A 12 2.648 4.086 11.073 1.00 0.00 C ATOM 192 O ARG A 12 2.493 3.830 12.266 1.00 0.00 O ATOM 193 CB ARG A 12 2.569 6.358 10.080 1.00 0.00 C ATOM 194 CG ARG A 12 3.249 7.638 9.620 1.00 0.00 C ATOM 195 CD ARG A 12 2.226 8.742 9.366 1.00 0.00 C ATOM 196 NE ARG A 12 1.795 9.402 10.605 1.00 0.00 N ATOM 197 CZ ARG A 12 0.922 10.417 10.650 1.00 0.00 C ATOM 198 NH1 ARG A 12 0.322 10.843 9.540 1.00 0.00 N ATOM 199 NH2 ARG A 12 0.641 11.001 11.812 1.00 0.00 N ATOM 200 H ARG A 12 4.421 5.206 8.711 1.00 0.00 H ATOM 201 HA ARG A 12 4.050 5.655 11.478 1.00 0.00 H ATOM 202 HB2 ARG A 12 2.031 5.951 9.237 1.00 0.00 H ATOM 203 HB3 ARG A 12 1.855 6.616 10.849 1.00 0.00 H ATOM 204 HG2 ARG A 12 3.941 7.967 10.381 1.00 0.00 H ATOM 205 HG3 ARG A 12 3.783 7.443 8.705 1.00 0.00 H ATOM 206 HD2 ARG A 12 2.662 9.479 8.709 1.00 0.00 H ATOM 207 HD3 ARG A 12 1.362 8.306 8.886 1.00 0.00 H ATOM 208 HE ARG A 12 2.194 9.090 11.445 1.00 0.00 H ATOM 209 HH11 ARG A 12 0.521 10.408 8.663 1.00 0.00 H ATOM 210 HH12 ARG A 12 -0.329 11.602 9.583 1.00 0.00 H ATOM 211 HH21 ARG A 12 1.082 10.683 12.651 1.00 0.00 H ATOM 212 HH22 ARG A 12 -0.009 11.761 11.846 1.00 0.00 H ATOM 213 N LYS A 13 2.064 3.395 10.087 1.00 0.00 N ATOM 214 CA LYS A 13 1.176 2.263 10.338 1.00 0.00 C ATOM 215 C LYS A 13 1.925 1.029 10.849 1.00 0.00 C ATOM 216 O LYS A 13 1.464 0.365 11.777 1.00 0.00 O ATOM 217 CB LYS A 13 0.384 1.940 9.062 1.00 0.00 C ATOM 218 CG LYS A 13 -0.898 1.157 9.308 1.00 0.00 C ATOM 219 CD LYS A 13 -1.776 1.827 10.364 1.00 0.00 C ATOM 220 CE LYS A 13 -2.386 0.808 11.316 1.00 0.00 C ATOM 221 NZ LYS A 13 -1.375 -0.125 11.823 1.00 0.00 N ATOM 222 H LYS A 13 2.217 3.675 9.158 1.00 0.00 H ATOM 223 HA LYS A 13 0.481 2.567 11.101 1.00 0.00 H ATOM 224 HB2 LYS A 13 0.124 2.866 8.570 1.00 0.00 H ATOM 225 HB3 LYS A 13 1.014 1.360 8.404 1.00 0.00 H ATOM 226 HG2 LYS A 13 -1.452 1.100 8.383 1.00 0.00 H ATOM 227 HG3 LYS A 13 -0.644 0.162 9.636 1.00 0.00 H ATOM 228 HD2 LYS A 13 -1.178 2.521 10.933 1.00 0.00 H ATOM 229 HD3 LYS A 13 -2.572 2.362 9.866 1.00 0.00 H ATOM 230 HE2 LYS A 13 -2.830 1.334 12.149 1.00 0.00 H ATOM 231 HE3 LYS A 13 -3.149 0.252 10.794 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -0.500 -0.118 11.387 1.00 0.00 H ATOM 233 N ARG A 14 3.076 0.720 10.259 1.00 0.00 N ATOM 234 CA ARG A 14 3.848 -0.442 10.697 1.00 0.00 C ATOM 235 C ARG A 14 4.292 -0.274 12.150 1.00 0.00 C ATOM 236 O ARG A 14 4.325 -1.239 12.913 1.00 0.00 O ATOM 237 CB ARG A 14 5.080 -0.681 9.806 1.00 0.00 C ATOM 238 CG ARG A 14 6.166 0.383 9.933 1.00 0.00 C ATOM 239 CD ARG A 14 7.560 -0.228 10.016 1.00 0.00 C ATOM 240 NE ARG A 14 8.099 -0.595 8.704 1.00 0.00 N ATOM 241 CZ ARG A 14 9.256 -1.241 8.532 1.00 0.00 C ATOM 242 NH1 ARG A 14 9.930 -1.704 9.584 1.00 0.00 N ATOM 243 NH2 ARG A 14 9.731 -1.445 7.306 1.00 0.00 N ATOM 244 H ARG A 14 3.415 1.280 9.528 1.00 0.00 H ATOM 245 HA ARG A 14 3.199 -1.305 10.637 1.00 0.00 H ATOM 246 HB2 ARG A 14 5.511 -1.635 10.067 1.00 0.00 H ATOM 247 HB3 ARG A 14 4.758 -0.715 8.776 1.00 0.00 H ATOM 248 HG2 ARG A 14 6.123 1.022 9.068 1.00 0.00 H ATOM 249 HG3 ARG A 14 5.989 0.967 10.819 1.00 0.00 H ATOM 250 HD2 ARG A 14 8.223 0.489 10.474 1.00 0.00 H ATOM 251 HD3 ARG A 14 7.514 -1.113 10.634 1.00 0.00 H ATOM 252 HE ARG A 14 7.594 -0.315 7.913 1.00 0.00 H ATOM 253 HH11 ARG A 14 9.569 -1.573 10.507 1.00 0.00 H ATOM 254 HH12 ARG A 14 10.795 -2.186 9.452 1.00 0.00 H ATOM 255 HH21 ARG A 14 9.220 -1.119 6.511 1.00 0.00 H ATOM 256 HH22 ARG A 14 10.601 -1.923 7.178 1.00 0.00 H ATOM 257 N GLU A 15 4.655 0.955 12.515 1.00 0.00 N ATOM 258 CA GLU A 15 5.123 1.254 13.862 1.00 0.00 C ATOM 259 C GLU A 15 4.002 1.154 14.900 1.00 0.00 C ATOM 260 O GLU A 15 4.164 0.495 15.928 1.00 0.00 O ATOM 261 CB GLU A 15 5.748 2.653 13.892 1.00 0.00 C ATOM 262 CG GLU A 15 6.400 3.007 15.217 1.00 0.00 C ATOM 263 CD GLU A 15 7.588 2.118 15.539 1.00 0.00 C ATOM 264 OE1 GLU A 15 8.542 2.082 14.731 1.00 0.00 O ATOM 265 OE2 GLU A 15 7.568 1.462 16.601 1.00 0.00 O ATOM 266 H GLU A 15 4.624 1.679 11.854 1.00 0.00 H ATOM 267 HA GLU A 15 5.883 0.532 14.111 1.00 0.00 H ATOM 268 HB2 GLU A 15 6.502 2.712 13.119 1.00 0.00 H ATOM 269 HB3 GLU A 15 4.979 3.382 13.688 1.00 0.00 H ATOM 270 HG2 GLU A 15 6.736 4.034 15.176 1.00 0.00 H ATOM 271 HG3 GLU A 15 5.667 2.902 16.002 1.00 0.00 H ATOM 272 N ARG A 16 2.875 1.821 14.638 1.00 0.00 N ATOM 273 CA ARG A 16 1.743 1.819 15.568 1.00 0.00 C ATOM 274 C ARG A 16 1.106 0.433 15.695 1.00 0.00 C ATOM 275 O ARG A 16 0.880 -0.048 16.807 1.00 0.00 O ATOM 276 CB ARG A 16 0.695 2.859 15.147 1.00 0.00 C ATOM 277 CG ARG A 16 0.061 2.607 13.788 1.00 0.00 C ATOM 278 CD ARG A 16 -0.860 3.747 13.368 1.00 0.00 C ATOM 279 NE ARG A 16 -2.021 3.892 14.254 1.00 0.00 N ATOM 280 CZ ARG A 16 -2.017 4.542 15.424 1.00 0.00 C ATOM 281 NH1 ARG A 16 -0.944 5.214 15.831 1.00 0.00 N ATOM 282 NH2 ARG A 16 -3.114 4.548 16.174 1.00 0.00 N ATOM 283 H ARG A 16 2.809 2.337 13.809 1.00 0.00 H ATOM 284 HA ARG A 16 2.129 2.099 16.536 1.00 0.00 H ATOM 285 HB2 ARG A 16 -0.094 2.875 15.884 1.00 0.00 H ATOM 286 HB3 ARG A 16 1.166 3.829 15.121 1.00 0.00 H ATOM 287 HG2 ARG A 16 0.842 2.499 13.052 1.00 0.00 H ATOM 288 HG3 ARG A 16 -0.514 1.693 13.838 1.00 0.00 H ATOM 289 HD2 ARG A 16 -0.297 4.667 13.376 1.00 0.00 H ATOM 290 HD3 ARG A 16 -1.210 3.555 12.366 1.00 0.00 H ATOM 291 HE ARG A 16 -2.850 3.453 13.971 1.00 0.00 H ATOM 292 HH11 ARG A 16 -0.123 5.241 15.265 1.00 0.00 H ATOM 293 HH12 ARG A 16 -0.960 5.697 16.707 1.00 0.00 H ATOM 294 HH21 ARG A 16 -3.933 4.066 15.864 1.00 0.00 H ATOM 295 HH22 ARG A 16 -3.120 5.031 17.050 1.00 0.00 H ATOM 296 N ASP A 17 0.825 -0.203 14.561 1.00 0.00 N ATOM 297 CA ASP A 17 0.217 -1.535 14.555 1.00 0.00 C ATOM 298 C ASP A 17 1.230 -2.611 14.949 1.00 0.00 C ATOM 299 O ASP A 17 0.947 -3.462 15.792 1.00 0.00 O ATOM 300 CB ASP A 17 -0.375 -1.851 13.179 1.00 0.00 C ATOM 301 CG ASP A 17 -1.565 -0.972 12.828 1.00 0.00 C ATOM 302 OD1 ASP A 17 -2.624 -1.055 13.454 1.00 0.00 O ATOM 303 H ASP A 17 1.037 0.231 13.707 1.00 0.00 H ATOM 304 HA ASP A 17 -0.580 -1.532 15.284 1.00 0.00 H ATOM 305 HB2 ASP A 17 0.386 -1.702 12.430 1.00 0.00 H ATOM 306 HB3 ASP A 17 -0.695 -2.882 13.158 1.00 0.00 H HETATM 307 N NH2 A 18 2.415 -2.573 14.345 1.00 0.00 N HETATM 308 HN1 NH2 A 18 2.578 -1.869 13.683 1.00 0.00 H HETATM 309 HN2 NH2 A 18 3.079 -3.251 14.589 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 15 HETATM 1 C ACE A 1 5.115 11.209 -2.713 1.00 0.00 C HETATM 2 O ACE A 1 5.201 11.016 -1.500 1.00 0.00 O HETATM 3 CH3 ACE A 1 5.319 12.489 -3.244 1.00 0.00 C HETATM 4 H1 ACE A 1 6.237 12.500 -3.816 1.00 0.00 H HETATM 5 H2 ACE A 1 5.383 13.207 -2.442 1.00 0.00 H HETATM 6 H3 ACE A 1 4.491 12.749 -3.885 1.00 0.00 H ATOM 7 N THR A 2 4.822 10.237 -3.580 1.00 0.00 N ATOM 8 CA THR A 2 4.581 8.857 -3.151 1.00 0.00 C ATOM 9 C THR A 2 5.829 8.230 -2.520 1.00 0.00 C ATOM 10 O THR A 2 5.718 7.407 -1.612 1.00 0.00 O ATOM 11 CB THR A 2 4.095 7.973 -4.324 1.00 0.00 C ATOM 12 OG1 THR A 2 3.751 6.663 -3.847 1.00 0.00 O ATOM 13 CG2 THR A 2 5.153 7.859 -5.417 1.00 0.00 C ATOM 14 H THR A 2 4.763 10.454 -4.535 1.00 0.00 H ATOM 15 HA THR A 2 3.797 8.883 -2.407 1.00 0.00 H ATOM 16 HB THR A 2 3.214 8.433 -4.748 1.00 0.00 H ATOM 17 HG1 THR A 2 4.538 6.219 -3.521 1.00 0.00 H ATOM 18 HG21 THR A 2 4.666 7.748 -6.375 1.00 0.00 H ATOM 19 HG22 THR A 2 5.775 6.997 -5.228 1.00 0.00 H ATOM 20 HG23 THR A 2 5.764 8.749 -5.426 1.00 0.00 H ATOM 21 N ARG A 3 7.009 8.620 -3.005 1.00 0.00 N ATOM 22 CA ARG A 3 8.273 8.091 -2.484 1.00 0.00 C ATOM 23 C ARG A 3 8.446 8.407 -1.000 1.00 0.00 C ATOM 24 O ARG A 3 8.691 7.515 -0.188 1.00 0.00 O ATOM 25 CB ARG A 3 9.453 8.667 -3.273 1.00 0.00 C ATOM 26 CG ARG A 3 9.618 8.076 -4.665 1.00 0.00 C ATOM 27 CD ARG A 3 10.825 8.671 -5.380 1.00 0.00 C ATOM 28 NE ARG A 3 11.073 8.041 -6.679 1.00 0.00 N ATOM 29 CZ ARG A 3 12.037 8.422 -7.525 1.00 0.00 C ATOM 30 NH1 ARG A 3 12.843 9.436 -7.219 1.00 0.00 N ATOM 31 NH2 ARG A 3 12.195 7.786 -8.681 1.00 0.00 N ATOM 32 H ARG A 3 7.034 9.281 -3.730 1.00 0.00 H ATOM 33 HA ARG A 3 8.258 7.020 -2.609 1.00 0.00 H ATOM 34 HB2 ARG A 3 9.313 9.733 -3.375 1.00 0.00 H ATOM 35 HB3 ARG A 3 10.364 8.487 -2.719 1.00 0.00 H ATOM 36 HG2 ARG A 3 9.754 7.008 -4.578 1.00 0.00 H ATOM 37 HG3 ARG A 3 8.729 8.282 -5.241 1.00 0.00 H ATOM 38 HD2 ARG A 3 10.654 9.726 -5.532 1.00 0.00 H ATOM 39 HD3 ARG A 3 11.696 8.536 -4.754 1.00 0.00 H ATOM 40 HE ARG A 3 10.495 7.291 -6.936 1.00 0.00 H ATOM 41 HH11 ARG A 3 12.733 9.921 -6.352 1.00 0.00 H ATOM 42 HH12 ARG A 3 13.560 9.716 -7.858 1.00 0.00 H ATOM 43 HH21 ARG A 3 11.595 7.022 -8.919 1.00 0.00 H ATOM 44 HH22 ARG A 3 12.915 8.072 -9.314 1.00 0.00 H ATOM 45 N GLN A 4 8.320 9.684 -0.659 1.00 0.00 N ATOM 46 CA GLN A 4 8.462 10.133 0.725 1.00 0.00 C ATOM 47 C GLN A 4 7.283 9.670 1.581 1.00 0.00 C ATOM 48 O GLN A 4 7.466 9.269 2.731 1.00 0.00 O ATOM 49 CB GLN A 4 8.589 11.660 0.775 1.00 0.00 C ATOM 50 CG GLN A 4 8.618 12.229 2.187 1.00 0.00 C ATOM 51 CD GLN A 4 8.658 13.747 2.206 1.00 0.00 C ATOM 52 OE1 GLN A 4 7.764 14.409 1.676 1.00 0.00 O ATOM 53 NE2 GLN A 4 9.693 14.308 2.823 1.00 0.00 N ATOM 54 H GLN A 4 8.125 10.343 -1.357 1.00 0.00 H ATOM 55 HA GLN A 4 9.365 9.694 1.118 1.00 0.00 H ATOM 56 HB2 GLN A 4 9.503 11.947 0.281 1.00 0.00 H ATOM 57 HB3 GLN A 4 7.753 12.097 0.251 1.00 0.00 H ATOM 58 HG2 GLN A 4 7.734 11.904 2.710 1.00 0.00 H ATOM 59 HG3 GLN A 4 9.494 11.853 2.693 1.00 0.00 H ATOM 60 HE21 GLN A 4 10.367 13.721 3.225 1.00 0.00 H ATOM 61 HE22 GLN A 4 9.742 15.287 2.850 1.00 0.00 H ATOM 62 N ALA A 5 6.076 9.735 1.014 1.00 0.00 N ATOM 63 CA ALA A 5 4.864 9.326 1.722 1.00 0.00 C ATOM 64 C ALA A 5 4.893 7.841 2.076 1.00 0.00 C ATOM 65 O ALA A 5 4.513 7.459 3.180 1.00 0.00 O ATOM 66 CB ALA A 5 3.628 9.649 0.895 1.00 0.00 C ATOM 67 H ALA A 5 6.000 10.067 0.095 1.00 0.00 H ATOM 68 HA ALA A 5 4.810 9.897 2.637 1.00 0.00 H ATOM 69 HB1 ALA A 5 3.504 10.722 0.840 1.00 0.00 H ATOM 70 HB2 ALA A 5 2.759 9.213 1.361 1.00 0.00 H ATOM 71 HB3 ALA A 5 3.744 9.243 -0.100 1.00 0.00 H ATOM 72 N LYS A 6 5.341 7.006 1.135 1.00 0.00 N ATOM 73 CA LYS A 6 5.410 5.562 1.361 1.00 0.00 C ATOM 74 C LYS A 6 6.507 5.208 2.361 1.00 0.00 C ATOM 75 O LYS A 6 6.258 4.487 3.325 1.00 0.00 O ATOM 76 CB LYS A 6 5.624 4.806 0.045 1.00 0.00 C ATOM 77 CG LYS A 6 5.529 3.294 0.200 1.00 0.00 C ATOM 78 CD LYS A 6 6.887 2.658 0.478 1.00 0.00 C ATOM 79 CE LYS A 6 6.777 1.468 1.424 1.00 0.00 C ATOM 80 NZ LYS A 6 7.052 1.845 2.816 1.00 0.00 N ATOM 81 H LYS A 6 5.631 7.372 0.272 1.00 0.00 H ATOM 82 HA LYS A 6 4.463 5.257 1.781 1.00 0.00 H ATOM 83 HB2 LYS A 6 4.877 5.123 -0.668 1.00 0.00 H ATOM 84 HB3 LYS A 6 6.604 5.045 -0.342 1.00 0.00 H ATOM 85 HG2 LYS A 6 4.865 3.070 1.020 1.00 0.00 H ATOM 86 HG3 LYS A 6 5.127 2.878 -0.713 1.00 0.00 H ATOM 87 HD2 LYS A 6 7.312 2.318 -0.456 1.00 0.00 H ATOM 88 HD3 LYS A 6 7.537 3.397 0.920 1.00 0.00 H ATOM 89 HE2 LYS A 6 5.777 1.063 1.359 1.00 0.00 H ATOM 90 HE3 LYS A 6 7.488 0.714 1.117 1.00 0.00 H ATOM 91 HZ1 LYS A 6 7.498 2.703 2.972 1.00 0.00 H ATOM 92 N ARG A 7 7.715 5.727 2.128 1.00 0.00 N ATOM 93 CA ARG A 7 8.854 5.472 3.020 1.00 0.00 C ATOM 94 C ARG A 7 8.490 5.771 4.472 1.00 0.00 C ATOM 95 O ARG A 7 8.756 4.967 5.367 1.00 0.00 O ATOM 96 CB ARG A 7 10.060 6.324 2.600 1.00 0.00 C ATOM 97 CG ARG A 7 10.911 5.708 1.495 1.00 0.00 C ATOM 98 CD ARG A 7 11.921 4.709 2.048 1.00 0.00 C ATOM 99 NE ARG A 7 11.299 3.466 2.510 1.00 0.00 N ATOM 100 CZ ARG A 7 11.959 2.491 3.141 1.00 0.00 C ATOM 101 NH1 ARG A 7 13.245 2.637 3.451 1.00 0.00 N ATOM 102 NH2 ARG A 7 11.325 1.371 3.477 1.00 0.00 N ATOM 103 H ARG A 7 7.842 6.297 1.343 1.00 0.00 H ATOM 104 HA ARG A 7 9.115 4.431 2.937 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.701 7.282 2.250 1.00 0.00 H ATOM 106 HB3 ARG A 7 10.689 6.482 3.462 1.00 0.00 H ATOM 107 HG2 ARG A 7 10.262 5.199 0.798 1.00 0.00 H ATOM 108 HG3 ARG A 7 11.441 6.498 0.982 1.00 0.00 H ATOM 109 HD2 ARG A 7 12.633 4.473 1.272 1.00 0.00 H ATOM 110 HD3 ARG A 7 12.440 5.170 2.877 1.00 0.00 H ATOM 111 HE ARG A 7 10.348 3.339 2.323 1.00 0.00 H ATOM 112 HH11 ARG A 7 13.725 3.481 3.214 1.00 0.00 H ATOM 113 HH12 ARG A 7 13.733 1.901 3.920 1.00 0.00 H ATOM 114 HH21 ARG A 7 10.355 1.261 3.259 1.00 0.00 H ATOM 115 HH22 ARG A 7 11.819 0.637 3.944 1.00 0.00 H ATOM 116 N ASN A 8 7.876 6.931 4.689 1.00 0.00 N ATOM 117 CA ASN A 8 7.459 7.359 6.023 1.00 0.00 C ATOM 118 C ASN A 8 6.248 6.554 6.513 1.00 0.00 C ATOM 119 O ASN A 8 6.142 6.243 7.700 1.00 0.00 O ATOM 120 CB ASN A 8 7.140 8.860 6.000 1.00 0.00 C ATOM 121 CG ASN A 8 6.923 9.448 7.382 1.00 0.00 C ATOM 122 OD1 ASN A 8 6.038 9.021 8.120 1.00 0.00 O ATOM 123 ND2 ASN A 8 7.735 10.437 7.739 1.00 0.00 N ATOM 124 H ASN A 8 7.695 7.520 3.925 1.00 0.00 H ATOM 125 HA ASN A 8 8.284 7.188 6.698 1.00 0.00 H ATOM 126 HB2 ASN A 8 7.960 9.386 5.535 1.00 0.00 H ATOM 127 HB3 ASN A 8 6.243 9.021 5.419 1.00 0.00 H ATOM 128 HD21 ASN A 8 8.419 10.730 7.101 1.00 0.00 H ATOM 129 HD22 ASN A 8 7.616 10.835 8.626 1.00 0.00 H ATOM 130 N ARG A 9 5.336 6.227 5.591 1.00 0.00 N ATOM 131 CA ARG A 9 4.124 5.468 5.919 1.00 0.00 C ATOM 132 C ARG A 9 4.428 4.016 6.305 1.00 0.00 C ATOM 133 O ARG A 9 3.677 3.413 7.067 1.00 0.00 O ATOM 134 CB ARG A 9 3.146 5.493 4.738 1.00 0.00 C ATOM 135 CG ARG A 9 1.854 4.728 4.992 1.00 0.00 C ATOM 136 CD ARG A 9 0.898 4.832 3.810 1.00 0.00 C ATOM 137 NE ARG A 9 0.517 6.218 3.519 1.00 0.00 N ATOM 138 CZ ARG A 9 -0.249 6.975 4.312 1.00 0.00 C ATOM 139 NH1 ARG A 9 -0.795 6.468 5.413 1.00 0.00 N ATOM 140 NH2 ARG A 9 -0.491 8.241 3.987 1.00 0.00 N ATOM 141 H ARG A 9 5.478 6.509 4.664 1.00 0.00 H ATOM 142 HA ARG A 9 3.655 5.953 6.762 1.00 0.00 H ATOM 143 HB2 ARG A 9 2.892 6.520 4.518 1.00 0.00 H ATOM 144 HB3 ARG A 9 3.631 5.060 3.875 1.00 0.00 H ATOM 145 HG2 ARG A 9 2.092 3.687 5.155 1.00 0.00 H ATOM 146 HG3 ARG A 9 1.375 5.132 5.871 1.00 0.00 H ATOM 147 HD2 ARG A 9 1.377 4.412 2.939 1.00 0.00 H ATOM 148 HD3 ARG A 9 0.007 4.264 4.036 1.00 0.00 H ATOM 149 HE ARG A 9 0.870 6.614 2.694 1.00 0.00 H ATOM 150 HH11 ARG A 9 -0.638 5.512 5.658 1.00 0.00 H ATOM 151 HH12 ARG A 9 -1.365 7.044 5.998 1.00 0.00 H ATOM 152 HH21 ARG A 9 -0.101 8.627 3.151 1.00 0.00 H ATOM 153 HH22 ARG A 9 -1.063 8.809 4.580 1.00 0.00 H ATOM 154 N ASP A 10 5.513 3.451 5.769 1.00 0.00 N ATOM 155 CA ASP A 10 5.878 2.063 6.062 1.00 0.00 C ATOM 156 C ASP A 10 6.132 1.846 7.554 1.00 0.00 C ATOM 157 O ASP A 10 5.607 0.894 8.142 1.00 0.00 O ATOM 158 CB ASP A 10 7.106 1.643 5.242 1.00 0.00 C ATOM 159 CG ASP A 10 6.736 1.090 3.870 1.00 0.00 C ATOM 160 OD1 ASP A 10 6.173 0.000 3.765 1.00 0.00 O ATOM 161 H ASP A 10 6.076 3.971 5.160 1.00 0.00 H ATOM 162 HA ASP A 10 5.043 1.443 5.770 1.00 0.00 H ATOM 163 HB2 ASP A 10 7.749 2.498 5.102 1.00 0.00 H ATOM 164 HB3 ASP A 10 7.646 0.878 5.781 1.00 0.00 H ATOM 165 N ARG A 11 6.929 2.724 8.167 1.00 0.00 N ATOM 166 CA ARG A 11 7.233 2.607 9.594 1.00 0.00 C ATOM 167 C ARG A 11 6.058 3.104 10.432 1.00 0.00 C ATOM 168 O ARG A 11 5.675 2.464 11.411 1.00 0.00 O ATOM 169 CB ARG A 11 8.507 3.378 9.955 1.00 0.00 C ATOM 170 CG ARG A 11 9.287 2.749 11.102 1.00 0.00 C ATOM 171 CD ARG A 11 10.640 2.226 10.632 1.00 0.00 C ATOM 172 NE ARG A 11 11.305 1.389 11.637 1.00 0.00 N ATOM 173 CZ ARG A 11 11.728 1.819 12.832 1.00 0.00 C ATOM 174 NH1 ARG A 11 11.610 3.100 13.179 1.00 0.00 N ATOM 175 NH2 ARG A 11 12.292 0.963 13.675 1.00 0.00 N ATOM 176 H ARG A 11 7.312 3.466 7.650 1.00 0.00 H ATOM 177 HA ARG A 11 7.385 1.559 9.807 1.00 0.00 H ATOM 178 HB2 ARG A 11 9.148 3.420 9.087 1.00 0.00 H ATOM 179 HB3 ARG A 11 8.237 4.383 10.242 1.00 0.00 H ATOM 180 HG2 ARG A 11 9.443 3.492 11.868 1.00 0.00 H ATOM 181 HG3 ARG A 11 8.714 1.927 11.507 1.00 0.00 H ATOM 182 HD2 ARG A 11 10.493 1.641 9.737 1.00 0.00 H ATOM 183 HD3 ARG A 11 11.275 3.070 10.406 1.00 0.00 H ATOM 184 HE ARG A 11 11.440 0.444 11.411 1.00 0.00 H ATOM 185 HH11 ARG A 11 11.205 3.758 12.546 1.00 0.00 H ATOM 186 HH12 ARG A 11 11.928 3.404 14.078 1.00 0.00 H ATOM 187 HH21 ARG A 11 12.401 0.003 13.415 1.00 0.00 H ATOM 188 HH22 ARG A 11 12.609 1.277 14.570 1.00 0.00 H ATOM 189 N ARG A 12 5.483 4.241 10.030 1.00 0.00 N ATOM 190 CA ARG A 12 4.336 4.822 10.730 1.00 0.00 C ATOM 191 C ARG A 12 3.176 3.830 10.782 1.00 0.00 C ATOM 192 O ARG A 12 2.483 3.718 11.792 1.00 0.00 O ATOM 193 CB ARG A 12 3.875 6.108 10.027 1.00 0.00 C ATOM 194 CG ARG A 12 4.815 7.294 10.202 1.00 0.00 C ATOM 195 CD ARG A 12 4.853 7.771 11.648 1.00 0.00 C ATOM 196 NE ARG A 12 5.574 9.037 11.802 1.00 0.00 N ATOM 197 CZ ARG A 12 6.879 9.207 11.570 1.00 0.00 C ATOM 198 NH1 ARG A 12 7.658 8.177 11.239 1.00 0.00 N ATOM 199 NH2 ARG A 12 7.412 10.417 11.696 1.00 0.00 N ATOM 200 H ARG A 12 5.832 4.695 9.235 1.00 0.00 H ATOM 201 HA ARG A 12 4.642 5.061 11.737 1.00 0.00 H ATOM 202 HB2 ARG A 12 3.780 5.910 8.969 1.00 0.00 H ATOM 203 HB3 ARG A 12 2.906 6.385 10.416 1.00 0.00 H ATOM 204 HG2 ARG A 12 5.808 7.000 9.905 1.00 0.00 H ATOM 205 HG3 ARG A 12 4.474 8.106 9.572 1.00 0.00 H ATOM 206 HD2 ARG A 12 3.838 7.907 11.994 1.00 0.00 H ATOM 207 HD3 ARG A 12 5.337 7.018 12.249 1.00 0.00 H ATOM 208 HE ARG A 12 5.047 9.816 12.083 1.00 0.00 H ATOM 209 HH11 ARG A 12 7.272 7.258 11.161 1.00 0.00 H ATOM 210 HH12 ARG A 12 8.632 8.323 11.067 1.00 0.00 H ATOM 211 HH21 ARG A 12 6.837 11.192 11.962 1.00 0.00 H ATOM 212 HH22 ARG A 12 8.387 10.556 11.522 1.00 0.00 H ATOM 213 N LYS A 13 2.971 3.122 9.672 1.00 0.00 N ATOM 214 CA LYS A 13 1.892 2.138 9.560 1.00 0.00 C ATOM 215 C LYS A 13 2.120 0.966 10.508 1.00 0.00 C ATOM 216 O LYS A 13 1.259 0.645 11.327 1.00 0.00 O ATOM 217 CB LYS A 13 1.798 1.635 8.110 1.00 0.00 C ATOM 218 CG LYS A 13 0.734 0.567 7.852 1.00 0.00 C ATOM 219 CD LYS A 13 -0.681 1.140 7.737 1.00 0.00 C ATOM 220 CE LYS A 13 -1.249 1.595 9.077 1.00 0.00 C ATOM 221 NZ LYS A 13 -1.032 0.610 10.133 1.00 0.00 N ATOM 222 H LYS A 13 3.559 3.268 8.902 1.00 0.00 H ATOM 223 HA LYS A 13 0.971 2.626 9.823 1.00 0.00 H ATOM 224 HB2 LYS A 13 1.585 2.475 7.469 1.00 0.00 H ATOM 225 HB3 LYS A 13 2.757 1.221 7.830 1.00 0.00 H ATOM 226 HG2 LYS A 13 0.974 0.063 6.928 1.00 0.00 H ATOM 227 HG3 LYS A 13 0.759 -0.147 8.659 1.00 0.00 H ATOM 228 HD2 LYS A 13 -0.655 1.990 7.073 1.00 0.00 H ATOM 229 HD3 LYS A 13 -1.330 0.382 7.321 1.00 0.00 H ATOM 230 HE2 LYS A 13 -0.775 2.523 9.360 1.00 0.00 H ATOM 231 HE3 LYS A 13 -2.311 1.756 8.964 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -0.212 0.078 10.091 1.00 0.00 H ATOM 233 N ARG A 14 3.279 0.326 10.396 1.00 0.00 N ATOM 234 CA ARG A 14 3.598 -0.821 11.250 1.00 0.00 C ATOM 235 C ARG A 14 3.651 -0.423 12.729 1.00 0.00 C ATOM 236 O ARG A 14 3.225 -1.186 13.597 1.00 0.00 O ATOM 237 CB ARG A 14 4.918 -1.466 10.818 1.00 0.00 C ATOM 238 CG ARG A 14 6.118 -0.536 10.894 1.00 0.00 C ATOM 239 CD ARG A 14 7.362 -1.197 10.324 1.00 0.00 C ATOM 240 NE ARG A 14 7.725 -2.421 11.042 1.00 0.00 N ATOM 241 CZ ARG A 14 8.708 -3.241 10.665 1.00 0.00 C ATOM 242 NH1 ARG A 14 9.414 -2.988 9.564 1.00 0.00 N ATOM 243 NH2 ARG A 14 8.980 -4.323 11.387 1.00 0.00 N ATOM 244 H ARG A 14 3.933 0.628 9.725 1.00 0.00 H ATOM 245 HA ARG A 14 2.803 -1.545 11.125 1.00 0.00 H ATOM 246 HB2 ARG A 14 5.112 -2.317 11.452 1.00 0.00 H ATOM 247 HB3 ARG A 14 4.821 -1.805 9.798 1.00 0.00 H ATOM 248 HG2 ARG A 14 5.905 0.357 10.328 1.00 0.00 H ATOM 249 HG3 ARG A 14 6.297 -0.277 11.927 1.00 0.00 H ATOM 250 HD2 ARG A 14 7.179 -1.442 9.289 1.00 0.00 H ATOM 251 HD3 ARG A 14 8.183 -0.498 10.387 1.00 0.00 H ATOM 252 HE ARG A 14 7.214 -2.641 11.849 1.00 0.00 H ATOM 253 HH11 ARG A 14 9.208 -2.180 9.012 1.00 0.00 H ATOM 254 HH12 ARG A 14 10.148 -3.607 9.287 1.00 0.00 H ATOM 255 HH21 ARG A 14 8.448 -4.521 12.211 1.00 0.00 H ATOM 256 HH22 ARG A 14 9.715 -4.940 11.108 1.00 0.00 H ATOM 257 N GLU A 15 4.179 0.772 13.005 1.00 0.00 N ATOM 258 CA GLU A 15 4.293 1.277 14.376 1.00 0.00 C ATOM 259 C GLU A 15 2.937 1.688 14.949 1.00 0.00 C ATOM 260 O GLU A 15 2.625 1.375 16.098 1.00 0.00 O ATOM 261 CB GLU A 15 5.255 2.471 14.423 1.00 0.00 C ATOM 262 CG GLU A 15 6.701 2.107 14.107 1.00 0.00 C ATOM 263 CD GLU A 15 7.340 1.205 15.155 1.00 0.00 C ATOM 264 OE1 GLU A 15 6.722 0.981 16.221 1.00 0.00 O ATOM 265 OE2 GLU A 15 8.469 0.728 14.912 1.00 0.00 O ATOM 266 H GLU A 15 4.502 1.333 12.267 1.00 0.00 H ATOM 267 HA GLU A 15 4.695 0.484 14.986 1.00 0.00 H ATOM 268 HB2 GLU A 15 4.929 3.209 13.704 1.00 0.00 H ATOM 269 HB3 GLU A 15 5.224 2.906 15.410 1.00 0.00 H ATOM 270 HG2 GLU A 15 6.726 1.596 13.157 1.00 0.00 H ATOM 271 HG3 GLU A 15 7.278 3.018 14.038 1.00 0.00 H ATOM 272 N ARG A 16 2.148 2.405 14.150 1.00 0.00 N ATOM 273 CA ARG A 16 0.835 2.880 14.585 1.00 0.00 C ATOM 274 C ARG A 16 -0.187 1.748 14.673 1.00 0.00 C ATOM 275 O ARG A 16 -0.861 1.595 15.693 1.00 0.00 O ATOM 276 CB ARG A 16 0.323 3.967 13.639 1.00 0.00 C ATOM 277 CG ARG A 16 -0.981 4.603 14.099 1.00 0.00 C ATOM 278 CD ARG A 16 -0.969 6.114 13.898 1.00 0.00 C ATOM 279 NE ARG A 16 -2.048 6.782 14.630 1.00 0.00 N ATOM 280 CZ ARG A 16 -2.147 6.806 15.966 1.00 0.00 C ATOM 281 NH1 ARG A 16 -1.215 6.236 16.727 1.00 0.00 N ATOM 282 NH2 ARG A 16 -3.173 7.423 16.544 1.00 0.00 N ATOM 283 H ARG A 16 2.464 2.636 13.251 1.00 0.00 H ATOM 284 HA ARG A 16 0.952 3.308 15.567 1.00 0.00 H ATOM 285 HB2 ARG A 16 1.071 4.740 13.558 1.00 0.00 H ATOM 286 HB3 ARG A 16 0.161 3.529 12.664 1.00 0.00 H ATOM 287 HG2 ARG A 16 -1.795 4.180 13.529 1.00 0.00 H ATOM 288 HG3 ARG A 16 -1.125 4.386 15.148 1.00 0.00 H ATOM 289 HD2 ARG A 16 -0.023 6.502 14.246 1.00 0.00 H ATOM 290 HD3 ARG A 16 -1.077 6.326 12.844 1.00 0.00 H ATOM 291 HE ARG A 16 -2.740 7.233 14.100 1.00 0.00 H ATOM 292 HH11 ARG A 16 -0.430 5.785 16.306 1.00 0.00 H ATOM 293 HH12 ARG A 16 -1.300 6.261 17.723 1.00 0.00 H ATOM 294 HH21 ARG A 16 -3.869 7.870 15.983 1.00 0.00 H ATOM 295 HH22 ARG A 16 -3.246 7.442 17.541 1.00 0.00 H ATOM 296 N ASP A 17 -0.312 0.970 13.600 1.00 0.00 N ATOM 297 CA ASP A 17 -1.269 -0.134 13.562 1.00 0.00 C ATOM 298 C ASP A 17 -0.839 -1.266 14.489 1.00 0.00 C ATOM 299 O ASP A 17 -1.587 -1.672 15.376 1.00 0.00 O ATOM 300 CB ASP A 17 -1.436 -0.671 12.136 1.00 0.00 C ATOM 301 CG ASP A 17 -1.868 0.397 11.146 1.00 0.00 C ATOM 302 OD1 ASP A 17 -2.924 1.015 11.294 1.00 0.00 O ATOM 303 H ASP A 17 0.246 1.147 12.813 1.00 0.00 H ATOM 304 HA ASP A 17 -2.219 0.248 13.902 1.00 0.00 H ATOM 305 HB2 ASP A 17 -0.493 -1.078 11.803 1.00 0.00 H ATOM 306 HB3 ASP A 17 -2.176 -1.455 12.138 1.00 0.00 H HETATM 307 N NH2 A 18 0.368 -1.785 14.276 1.00 0.00 N HETATM 308 HN1 NH2 A 18 0.911 -1.412 13.551 1.00 0.00 H HETATM 309 HN2 NH2 A 18 0.663 -2.520 14.852 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 16 HETATM 1 C ACE A 1 6.217 11.026 -3.412 1.00 0.00 C HETATM 2 O ACE A 1 5.860 10.985 -2.233 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.923 12.130 -3.903 1.00 0.00 C HETATM 4 H1 ACE A 1 6.885 12.932 -3.179 1.00 0.00 H HETATM 5 H2 ACE A 1 6.481 12.458 -4.832 1.00 0.00 H HETATM 6 H3 ACE A 1 7.949 11.852 -4.078 1.00 0.00 H ATOM 7 N THR A 2 5.961 10.047 -4.279 1.00 0.00 N ATOM 8 CA THR A 2 5.234 8.841 -3.893 1.00 0.00 C ATOM 9 C THR A 2 6.025 8.006 -2.887 1.00 0.00 C ATOM 10 O THR A 2 5.466 7.523 -1.901 1.00 0.00 O ATOM 11 CB THR A 2 4.915 7.970 -5.125 1.00 0.00 C ATOM 12 OG1 THR A 2 4.097 8.701 -6.046 1.00 0.00 O ATOM 13 CG2 THR A 2 4.207 6.680 -4.723 1.00 0.00 C ATOM 14 H THR A 2 6.273 10.138 -5.205 1.00 0.00 H ATOM 15 HA THR A 2 4.300 9.143 -3.442 1.00 0.00 H ATOM 16 HB THR A 2 5.847 7.716 -5.609 1.00 0.00 H ATOM 17 HG1 THR A 2 4.628 8.983 -6.793 1.00 0.00 H ATOM 18 HG21 THR A 2 3.683 6.276 -5.577 1.00 0.00 H ATOM 19 HG22 THR A 2 3.501 6.887 -3.932 1.00 0.00 H ATOM 20 HG23 THR A 2 4.936 5.962 -4.375 1.00 0.00 H ATOM 21 N ARG A 3 7.321 7.828 -3.152 1.00 0.00 N ATOM 22 CA ARG A 3 8.185 7.034 -2.281 1.00 0.00 C ATOM 23 C ARG A 3 8.376 7.676 -0.908 1.00 0.00 C ATOM 24 O ARG A 3 8.283 6.989 0.102 1.00 0.00 O ATOM 25 CB ARG A 3 9.546 6.792 -2.936 1.00 0.00 C ATOM 26 CG ARG A 3 9.473 5.961 -4.206 1.00 0.00 C ATOM 27 CD ARG A 3 10.858 5.620 -4.746 1.00 0.00 C ATOM 28 NE ARG A 3 11.569 4.646 -3.907 1.00 0.00 N ATOM 29 CZ ARG A 3 12.256 4.946 -2.795 1.00 0.00 C ATOM 30 NH1 ARG A 3 12.413 6.208 -2.401 1.00 0.00 N ATOM 31 NH2 ARG A 3 12.817 3.971 -2.088 1.00 0.00 N ATOM 32 H ARG A 3 7.700 8.230 -3.960 1.00 0.00 H ATOM 33 HA ARG A 3 7.702 6.080 -2.137 1.00 0.00 H ATOM 34 HB2 ARG A 3 9.989 7.747 -3.183 1.00 0.00 H ATOM 35 HB3 ARG A 3 10.184 6.280 -2.232 1.00 0.00 H ATOM 36 HG2 ARG A 3 8.946 5.042 -3.992 1.00 0.00 H ATOM 37 HG3 ARG A 3 8.932 6.519 -4.956 1.00 0.00 H ATOM 38 HD2 ARG A 3 10.751 5.210 -5.739 1.00 0.00 H ATOM 39 HD3 ARG A 3 11.441 6.528 -4.797 1.00 0.00 H ATOM 40 HE ARG A 3 11.516 3.704 -4.178 1.00 0.00 H ATOM 41 HH11 ARG A 3 12.019 6.956 -2.934 1.00 0.00 H ATOM 42 HH12 ARG A 3 12.922 6.409 -1.563 1.00 0.00 H ATOM 43 HH21 ARG A 3 12.724 3.021 -2.385 1.00 0.00 H ATOM 44 HH22 ARG A 3 13.330 4.187 -1.257 1.00 0.00 H ATOM 45 N GLN A 4 8.645 8.982 -0.864 1.00 0.00 N ATOM 46 CA GLN A 4 8.842 9.665 0.419 1.00 0.00 C ATOM 47 C GLN A 4 7.576 9.601 1.270 1.00 0.00 C ATOM 48 O GLN A 4 7.642 9.328 2.470 1.00 0.00 O ATOM 49 CB GLN A 4 9.269 11.122 0.219 1.00 0.00 C ATOM 50 CG GLN A 4 9.444 11.884 1.528 1.00 0.00 C ATOM 51 CD GLN A 4 10.129 13.226 1.344 1.00 0.00 C ATOM 52 OE1 GLN A 4 9.629 14.102 0.634 1.00 0.00 O ATOM 53 NE2 GLN A 4 11.285 13.394 1.984 1.00 0.00 N ATOM 54 H GLN A 4 8.712 9.490 -1.699 1.00 0.00 H ATOM 55 HA GLN A 4 9.629 9.143 0.942 1.00 0.00 H ATOM 56 HB2 GLN A 4 10.206 11.141 -0.316 1.00 0.00 H ATOM 57 HB3 GLN A 4 8.518 11.627 -0.369 1.00 0.00 H ATOM 58 HG2 GLN A 4 8.468 12.053 1.964 1.00 0.00 H ATOM 59 HG3 GLN A 4 10.037 11.283 2.205 1.00 0.00 H ATOM 60 HE21 GLN A 4 11.626 12.652 2.530 1.00 0.00 H ATOM 61 HE22 GLN A 4 11.750 14.251 1.884 1.00 0.00 H ATOM 62 N ALA A 5 6.427 9.837 0.638 1.00 0.00 N ATOM 63 CA ALA A 5 5.145 9.787 1.335 1.00 0.00 C ATOM 64 C ALA A 5 4.847 8.364 1.800 1.00 0.00 C ATOM 65 O ALA A 5 4.335 8.160 2.901 1.00 0.00 O ATOM 66 CB ALA A 5 4.023 10.302 0.441 1.00 0.00 C ATOM 67 H ALA A 5 6.443 10.037 -0.322 1.00 0.00 H ATOM 68 HA ALA A 5 5.209 10.431 2.200 1.00 0.00 H ATOM 69 HB1 ALA A 5 4.331 11.225 -0.029 1.00 0.00 H ATOM 70 HB2 ALA A 5 3.141 10.482 1.040 1.00 0.00 H ATOM 71 HB3 ALA A 5 3.799 9.569 -0.318 1.00 0.00 H ATOM 72 N LYS A 6 5.173 7.387 0.947 1.00 0.00 N ATOM 73 CA LYS A 6 4.947 5.974 1.251 1.00 0.00 C ATOM 74 C LYS A 6 5.947 5.443 2.284 1.00 0.00 C ATOM 75 O LYS A 6 5.557 4.781 3.246 1.00 0.00 O ATOM 76 CB LYS A 6 5.010 5.142 -0.034 1.00 0.00 C ATOM 77 CG LYS A 6 4.844 3.652 0.198 1.00 0.00 C ATOM 78 CD LYS A 6 6.176 2.985 0.496 1.00 0.00 C ATOM 79 CE LYS A 6 5.993 1.715 1.306 1.00 0.00 C ATOM 80 NZ LYS A 6 6.294 1.918 2.722 1.00 0.00 N ATOM 81 H LYS A 6 5.578 7.626 0.088 1.00 0.00 H ATOM 82 HA LYS A 6 3.957 5.889 1.665 1.00 0.00 H ATOM 83 HB2 LYS A 6 4.226 5.470 -0.700 1.00 0.00 H ATOM 84 HB3 LYS A 6 5.967 5.307 -0.509 1.00 0.00 H ATOM 85 HG2 LYS A 6 4.179 3.499 1.033 1.00 0.00 H ATOM 86 HG3 LYS A 6 4.420 3.207 -0.690 1.00 0.00 H ATOM 87 HD2 LYS A 6 6.659 2.736 -0.436 1.00 0.00 H ATOM 88 HD3 LYS A 6 6.797 3.671 1.052 1.00 0.00 H ATOM 89 HE2 LYS A 6 4.970 1.385 1.209 1.00 0.00 H ATOM 90 HE3 LYS A 6 6.655 0.957 0.913 1.00 0.00 H ATOM 91 HZ1 LYS A 6 7.209 2.187 2.953 1.00 0.00 H ATOM 92 N ARG A 7 7.229 5.737 2.079 1.00 0.00 N ATOM 93 CA ARG A 7 8.286 5.295 2.994 1.00 0.00 C ATOM 94 C ARG A 7 8.002 5.770 4.416 1.00 0.00 C ATOM 95 O ARG A 7 8.153 5.017 5.379 1.00 0.00 O ATOM 96 CB ARG A 7 9.648 5.835 2.538 1.00 0.00 C ATOM 97 CG ARG A 7 10.197 5.177 1.279 1.00 0.00 C ATOM 98 CD ARG A 7 11.209 4.089 1.614 1.00 0.00 C ATOM 99 NE ARG A 7 10.612 2.984 2.365 1.00 0.00 N ATOM 100 CZ ARG A 7 11.313 1.989 2.912 1.00 0.00 C ATOM 101 NH1 ARG A 7 12.640 1.966 2.814 1.00 0.00 N ATOM 102 NH2 ARG A 7 10.686 1.014 3.563 1.00 0.00 N ATOM 103 H ARG A 7 7.472 6.269 1.294 1.00 0.00 H ATOM 104 HA ARG A 7 8.308 4.218 2.982 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.552 6.894 2.348 1.00 0.00 H ATOM 106 HB3 ARG A 7 10.361 5.688 3.335 1.00 0.00 H ATOM 107 HG2 ARG A 7 9.380 4.735 0.729 1.00 0.00 H ATOM 108 HG3 ARG A 7 10.677 5.930 0.672 1.00 0.00 H ATOM 109 HD2 ARG A 7 11.619 3.704 0.693 1.00 0.00 H ATOM 110 HD3 ARG A 7 12.002 4.526 2.204 1.00 0.00 H ATOM 111 HE ARG A 7 9.637 2.978 2.463 1.00 0.00 H ATOM 112 HH11 ARG A 7 13.121 2.699 2.331 1.00 0.00 H ATOM 113 HH12 ARG A 7 13.159 1.218 3.228 1.00 0.00 H ATOM 114 HH21 ARG A 7 9.689 1.027 3.646 1.00 0.00 H ATOM 115 HH22 ARG A 7 11.211 0.268 3.973 1.00 0.00 H ATOM 116 N ASN A 8 7.589 7.028 4.525 1.00 0.00 N ATOM 117 CA ASN A 8 7.270 7.643 5.807 1.00 0.00 C ATOM 118 C ASN A 8 6.024 7.012 6.441 1.00 0.00 C ATOM 119 O ASN A 8 6.014 6.713 7.638 1.00 0.00 O ATOM 120 CB ASN A 8 7.080 9.151 5.603 1.00 0.00 C ATOM 121 CG ASN A 8 6.479 9.853 6.802 1.00 0.00 C ATOM 122 OD1 ASN A 8 6.999 9.775 7.916 1.00 0.00 O ATOM 123 ND2 ASN A 8 5.379 10.557 6.568 1.00 0.00 N ATOM 124 H ASN A 8 7.494 7.565 3.710 1.00 0.00 H ATOM 125 HA ASN A 8 8.110 7.485 6.465 1.00 0.00 H ATOM 126 HB2 ASN A 8 8.039 9.602 5.395 1.00 0.00 H ATOM 127 HB3 ASN A 8 6.428 9.308 4.757 1.00 0.00 H ATOM 128 HD21 ASN A 8 5.031 10.578 5.650 1.00 0.00 H ATOM 129 HD22 ASN A 8 4.962 11.028 7.316 1.00 0.00 H ATOM 130 N ARG A 9 4.976 6.817 5.636 1.00 0.00 N ATOM 131 CA ARG A 9 3.726 6.227 6.127 1.00 0.00 C ATOM 132 C ARG A 9 3.892 4.753 6.510 1.00 0.00 C ATOM 133 O ARG A 9 3.261 4.290 7.460 1.00 0.00 O ATOM 134 CB ARG A 9 2.595 6.385 5.104 1.00 0.00 C ATOM 135 CG ARG A 9 2.869 5.731 3.762 1.00 0.00 C ATOM 136 CD ARG A 9 1.717 5.941 2.793 1.00 0.00 C ATOM 137 NE ARG A 9 0.571 5.089 3.107 1.00 0.00 N ATOM 138 CZ ARG A 9 0.570 3.760 2.971 1.00 0.00 C ATOM 139 NH1 ARG A 9 1.636 3.128 2.482 1.00 0.00 N ATOM 140 NH2 ARG A 9 -0.505 3.061 3.313 1.00 0.00 N ATOM 141 H ARG A 9 5.044 7.079 4.694 1.00 0.00 H ATOM 142 HA ARG A 9 3.451 6.772 7.018 1.00 0.00 H ATOM 143 HB2 ARG A 9 1.695 5.951 5.511 1.00 0.00 H ATOM 144 HB3 ARG A 9 2.427 7.439 4.936 1.00 0.00 H ATOM 145 HG2 ARG A 9 3.760 6.162 3.341 1.00 0.00 H ATOM 146 HG3 ARG A 9 3.014 4.671 3.910 1.00 0.00 H ATOM 147 HD2 ARG A 9 1.407 6.975 2.842 1.00 0.00 H ATOM 148 HD3 ARG A 9 2.057 5.716 1.792 1.00 0.00 H ATOM 149 HE ARG A 9 -0.235 5.527 3.453 1.00 0.00 H ATOM 150 HH11 ARG A 9 2.448 3.645 2.214 1.00 0.00 H ATOM 151 HH12 ARG A 9 1.625 2.133 2.386 1.00 0.00 H ATOM 152 HH21 ARG A 9 -1.312 3.528 3.675 1.00 0.00 H ATOM 153 HH22 ARG A 9 -0.509 2.066 3.208 1.00 0.00 H ATOM 154 N ASP A 10 4.737 4.015 5.779 1.00 0.00 N ATOM 155 CA ASP A 10 4.958 2.597 6.078 1.00 0.00 C ATOM 156 C ASP A 10 5.486 2.413 7.497 1.00 0.00 C ATOM 157 O ASP A 10 5.030 1.535 8.229 1.00 0.00 O ATOM 158 CB ASP A 10 5.960 1.959 5.109 1.00 0.00 C ATOM 159 CG ASP A 10 5.419 1.730 3.710 1.00 0.00 C ATOM 160 OD1 ASP A 10 4.261 1.349 3.526 1.00 0.00 O ATOM 161 H ASP A 10 5.220 4.429 5.033 1.00 0.00 H ATOM 162 HA ASP A 10 4.010 2.088 5.990 1.00 0.00 H ATOM 163 HB2 ASP A 10 6.824 2.601 5.029 1.00 0.00 H ATOM 164 HB3 ASP A 10 6.270 1.004 5.510 1.00 0.00 H ATOM 165 N ARG A 11 6.470 3.234 7.862 1.00 0.00 N ATOM 166 CA ARG A 11 7.100 3.160 9.178 1.00 0.00 C ATOM 167 C ARG A 11 6.152 3.579 10.304 1.00 0.00 C ATOM 168 O ARG A 11 6.099 2.915 11.340 1.00 0.00 O ATOM 169 CB ARG A 11 8.374 4.015 9.188 1.00 0.00 C ATOM 170 CG ARG A 11 9.147 3.976 10.499 1.00 0.00 C ATOM 171 CD ARG A 11 10.586 4.439 10.309 1.00 0.00 C ATOM 172 NE ARG A 11 10.676 5.773 9.709 1.00 0.00 N ATOM 173 CZ ARG A 11 10.340 6.906 10.334 1.00 0.00 C ATOM 174 NH1 ARG A 11 9.905 6.885 11.592 1.00 0.00 N ATOM 175 NH2 ARG A 11 10.450 8.068 9.698 1.00 0.00 N ATOM 176 H ARG A 11 6.794 3.899 7.218 1.00 0.00 H ATOM 177 HA ARG A 11 7.378 2.130 9.342 1.00 0.00 H ATOM 178 HB2 ARG A 11 9.028 3.667 8.403 1.00 0.00 H ATOM 179 HB3 ARG A 11 8.103 5.040 8.987 1.00 0.00 H ATOM 180 HG2 ARG A 11 8.662 4.625 11.213 1.00 0.00 H ATOM 181 HG3 ARG A 11 9.151 2.964 10.875 1.00 0.00 H ATOM 182 HD2 ARG A 11 11.073 4.457 11.273 1.00 0.00 H ATOM 183 HD3 ARG A 11 11.093 3.732 9.668 1.00 0.00 H ATOM 184 HE ARG A 11 11.002 5.827 8.786 1.00 0.00 H ATOM 185 HH11 ARG A 11 9.827 6.018 12.083 1.00 0.00 H ATOM 186 HH12 ARG A 11 9.657 7.739 12.048 1.00 0.00 H ATOM 187 HH21 ARG A 11 10.783 8.092 8.755 1.00 0.00 H ATOM 188 HH22 ARG A 11 10.201 8.918 10.162 1.00 0.00 H ATOM 189 N ARG A 12 5.411 4.673 10.110 1.00 0.00 N ATOM 190 CA ARG A 12 4.479 5.148 11.139 1.00 0.00 C ATOM 191 C ARG A 12 3.367 4.132 11.407 1.00 0.00 C ATOM 192 O ARG A 12 3.044 3.845 12.566 1.00 0.00 O ATOM 193 CB ARG A 12 3.865 6.502 10.758 1.00 0.00 C ATOM 194 CG ARG A 12 3.204 6.526 9.389 1.00 0.00 C ATOM 195 CD ARG A 12 2.208 7.667 9.265 1.00 0.00 C ATOM 196 NE ARG A 12 1.001 7.426 10.060 1.00 0.00 N ATOM 197 CZ ARG A 12 0.083 6.498 9.768 1.00 0.00 C ATOM 198 NH1 ARG A 12 0.194 5.756 8.668 1.00 0.00 N ATOM 199 NH2 ARG A 12 -0.961 6.321 10.572 1.00 0.00 N ATOM 200 H ARG A 12 5.493 5.169 9.267 1.00 0.00 H ATOM 201 HA ARG A 12 5.046 5.273 12.051 1.00 0.00 H ATOM 202 HB2 ARG A 12 3.123 6.766 11.496 1.00 0.00 H ATOM 203 HB3 ARG A 12 4.646 7.248 10.767 1.00 0.00 H ATOM 204 HG2 ARG A 12 3.966 6.648 8.637 1.00 0.00 H ATOM 205 HG3 ARG A 12 2.687 5.593 9.232 1.00 0.00 H ATOM 206 HD2 ARG A 12 2.677 8.577 9.608 1.00 0.00 H ATOM 207 HD3 ARG A 12 1.929 7.775 8.227 1.00 0.00 H ATOM 208 HE ARG A 12 0.875 7.974 10.863 1.00 0.00 H ATOM 209 HH11 ARG A 12 0.968 5.887 8.049 1.00 0.00 H ATOM 210 HH12 ARG A 12 -0.498 5.065 8.460 1.00 0.00 H ATOM 211 HH21 ARG A 12 -1.060 6.881 11.395 1.00 0.00 H ATOM 212 HH22 ARG A 12 -1.648 5.627 10.355 1.00 0.00 H ATOM 213 N LYS A 13 2.776 3.592 10.339 1.00 0.00 N ATOM 214 CA LYS A 13 1.696 2.621 10.479 1.00 0.00 C ATOM 215 C LYS A 13 2.209 1.286 11.012 1.00 0.00 C ATOM 216 O LYS A 13 1.534 0.644 11.807 1.00 0.00 O ATOM 217 CB LYS A 13 0.953 2.416 9.146 1.00 0.00 C ATOM 218 CG LYS A 13 1.759 1.689 8.074 1.00 0.00 C ATOM 219 CD LYS A 13 1.132 0.354 7.675 1.00 0.00 C ATOM 220 CE LYS A 13 1.232 -0.697 8.776 1.00 0.00 C ATOM 221 NZ LYS A 13 0.149 -0.597 9.758 1.00 0.00 N ATOM 222 H LYS A 13 3.069 3.856 9.441 1.00 0.00 H ATOM 223 HA LYS A 13 1.000 3.023 11.199 1.00 0.00 H ATOM 224 HB2 LYS A 13 0.054 1.853 9.334 1.00 0.00 H ATOM 225 HB3 LYS A 13 0.678 3.385 8.756 1.00 0.00 H ATOM 226 HG2 LYS A 13 1.818 2.316 7.198 1.00 0.00 H ATOM 227 HG3 LYS A 13 2.754 1.508 8.449 1.00 0.00 H ATOM 228 HD2 LYS A 13 0.090 0.514 7.447 1.00 0.00 H ATOM 229 HD3 LYS A 13 1.637 -0.016 6.794 1.00 0.00 H ATOM 230 HE2 LYS A 13 1.199 -1.676 8.320 1.00 0.00 H ATOM 231 HE3 LYS A 13 2.176 -0.575 9.284 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -0.499 0.129 9.646 1.00 0.00 H ATOM 233 N ARG A 14 3.398 0.866 10.573 1.00 0.00 N ATOM 234 CA ARG A 14 3.963 -0.408 11.018 1.00 0.00 C ATOM 235 C ARG A 14 4.036 -0.474 12.540 1.00 0.00 C ATOM 236 O ARG A 14 3.773 -1.520 13.136 1.00 0.00 O ATOM 237 CB ARG A 14 5.354 -0.631 10.418 1.00 0.00 C ATOM 238 CG ARG A 14 5.759 -2.094 10.371 1.00 0.00 C ATOM 239 CD ARG A 14 4.907 -2.859 9.371 1.00 0.00 C ATOM 240 NE ARG A 14 5.001 -4.305 9.552 1.00 0.00 N ATOM 241 CZ ARG A 14 4.475 -4.965 10.587 1.00 0.00 C ATOM 242 NH1 ARG A 14 3.792 -4.317 11.527 1.00 0.00 N ATOM 243 NH2 ARG A 14 4.622 -6.280 10.677 1.00 0.00 N ATOM 244 H ARG A 14 3.900 1.418 9.936 1.00 0.00 H ATOM 245 HA ARG A 14 3.303 -1.192 10.673 1.00 0.00 H ATOM 246 HB2 ARG A 14 5.365 -0.245 9.410 1.00 0.00 H ATOM 247 HB3 ARG A 14 6.082 -0.095 11.009 1.00 0.00 H ATOM 248 HG2 ARG A 14 6.795 -2.162 10.074 1.00 0.00 H ATOM 249 HG3 ARG A 14 5.631 -2.529 11.352 1.00 0.00 H ATOM 250 HD2 ARG A 14 3.877 -2.558 9.490 1.00 0.00 H ATOM 251 HD3 ARG A 14 5.239 -2.610 8.374 1.00 0.00 H ATOM 252 HE ARG A 14 5.486 -4.814 8.869 1.00 0.00 H ATOM 253 HH11 ARG A 14 3.667 -3.328 11.465 1.00 0.00 H ATOM 254 HH12 ARG A 14 3.404 -4.821 12.299 1.00 0.00 H ATOM 255 HH21 ARG A 14 5.127 -6.776 9.971 1.00 0.00 H ATOM 256 HH22 ARG A 14 4.225 -6.775 11.449 1.00 0.00 H ATOM 257 N GLU A 15 4.393 0.649 13.160 1.00 0.00 N ATOM 258 CA GLU A 15 4.497 0.729 14.613 1.00 0.00 C ATOM 259 C GLU A 15 3.115 0.723 15.263 1.00 0.00 C ATOM 260 O GLU A 15 2.914 0.076 16.292 1.00 0.00 O ATOM 261 CB GLU A 15 5.267 1.988 15.026 1.00 0.00 C ATOM 262 CG GLU A 15 6.651 2.092 14.398 1.00 0.00 C ATOM 263 CD GLU A 15 7.637 1.068 14.939 1.00 0.00 C ATOM 264 OE1 GLU A 15 7.337 -0.143 14.880 1.00 0.00 O ATOM 265 OE2 GLU A 15 8.715 1.478 15.411 1.00 0.00 O ATOM 266 H GLU A 15 4.589 1.448 12.624 1.00 0.00 H ATOM 267 HA GLU A 15 5.040 -0.138 14.952 1.00 0.00 H ATOM 268 HB2 GLU A 15 4.696 2.859 14.737 1.00 0.00 H ATOM 269 HB3 GLU A 15 5.383 1.985 16.100 1.00 0.00 H ATOM 270 HG2 GLU A 15 6.558 1.945 13.333 1.00 0.00 H ATOM 271 HG3 GLU A 15 7.042 3.081 14.589 1.00 0.00 H ATOM 272 N ARG A 16 2.169 1.456 14.666 1.00 0.00 N ATOM 273 CA ARG A 16 0.808 1.537 15.205 1.00 0.00 C ATOM 274 C ARG A 16 -0.014 0.282 14.894 1.00 0.00 C ATOM 275 O ARG A 16 -0.539 -0.357 15.807 1.00 0.00 O ATOM 276 CB ARG A 16 0.091 2.778 14.667 1.00 0.00 C ATOM 277 CG ARG A 16 0.819 4.077 14.972 1.00 0.00 C ATOM 278 CD ARG A 16 0.981 4.285 16.469 1.00 0.00 C ATOM 279 NE ARG A 16 1.772 5.475 16.777 1.00 0.00 N ATOM 280 CZ ARG A 16 1.363 6.728 16.562 1.00 0.00 C ATOM 281 NH1 ARG A 16 0.148 6.972 16.083 1.00 0.00 N ATOM 282 NH2 ARG A 16 2.172 7.742 16.843 1.00 0.00 N ATOM 283 H ARG A 16 2.394 1.960 13.852 1.00 0.00 H ATOM 284 HA ARG A 16 0.892 1.629 16.276 1.00 0.00 H ATOM 285 HB2 ARG A 16 -0.007 2.688 13.595 1.00 0.00 H ATOM 286 HB3 ARG A 16 -0.894 2.831 15.107 1.00 0.00 H ATOM 287 HG2 ARG A 16 1.797 4.046 14.518 1.00 0.00 H ATOM 288 HG3 ARG A 16 0.255 4.902 14.560 1.00 0.00 H ATOM 289 HD2 ARG A 16 0.001 4.390 16.914 1.00 0.00 H ATOM 290 HD3 ARG A 16 1.473 3.420 16.887 1.00 0.00 H ATOM 291 HE ARG A 16 2.666 5.332 17.151 1.00 0.00 H ATOM 292 HH11 ARG A 16 -0.474 6.216 15.879 1.00 0.00 H ATOM 293 HH12 ARG A 16 -0.145 7.914 15.925 1.00 0.00 H ATOM 294 HH21 ARG A 16 3.085 7.567 17.212 1.00 0.00 H ATOM 295 HH22 ARG A 16 1.869 8.682 16.687 1.00 0.00 H ATOM 296 N ASP A 17 -0.131 -0.061 13.607 1.00 0.00 N ATOM 297 CA ASP A 17 -0.900 -1.240 13.190 1.00 0.00 C ATOM 298 C ASP A 17 -0.181 -2.540 13.558 1.00 0.00 C ATOM 299 O ASP A 17 -0.817 -3.578 13.745 1.00 0.00 O ATOM 300 CB ASP A 17 -1.215 -1.209 11.677 1.00 0.00 C ATOM 301 CG ASP A 17 -0.012 -1.453 10.771 1.00 0.00 C ATOM 302 OD1 ASP A 17 0.738 -2.413 10.956 1.00 0.00 O ATOM 303 H ASP A 17 0.306 0.492 12.925 1.00 0.00 H ATOM 304 HA ASP A 17 -1.836 -1.215 13.731 1.00 0.00 H ATOM 305 HB2 ASP A 17 -1.953 -1.966 11.460 1.00 0.00 H ATOM 306 HB3 ASP A 17 -1.628 -0.243 11.432 1.00 0.00 H HETATM 307 N NH2 A 18 1.145 -2.495 13.653 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.597 -1.640 13.493 1.00 0.00 H HETATM 309 HN2 NH2 A 18 1.618 -3.321 13.875 1.00 0.00 H TER 310 NH2 A 18 ENDMDL MODEL 17 HETATM 1 C ACE A 1 6.126 10.752 -3.410 1.00 0.00 C HETATM 2 O ACE A 1 5.928 10.768 -2.194 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.540 11.911 -4.078 1.00 0.00 C HETATM 4 H1 ACE A 1 7.219 12.465 -3.447 1.00 0.00 H HETATM 5 H2 ACE A 1 5.682 12.522 -4.312 1.00 0.00 H HETATM 6 H3 ACE A 1 7.042 11.638 -4.994 1.00 0.00 H ATOM 7 N THR A 2 5.971 9.656 -4.151 1.00 0.00 N ATOM 8 CA THR A 2 5.550 8.381 -3.576 1.00 0.00 C ATOM 9 C THR A 2 6.571 7.857 -2.563 1.00 0.00 C ATOM 10 O THR A 2 6.200 7.309 -1.526 1.00 0.00 O ATOM 11 CB THR A 2 5.342 7.324 -4.680 1.00 0.00 C ATOM 12 OG1 THR A 2 4.305 7.750 -5.573 1.00 0.00 O ATOM 13 CG2 THR A 2 4.977 5.968 -4.088 1.00 0.00 C ATOM 14 H THR A 2 6.148 9.704 -5.115 1.00 0.00 H ATOM 15 HA THR A 2 4.607 8.535 -3.074 1.00 0.00 H ATOM 16 HB THR A 2 6.264 7.224 -5.234 1.00 0.00 H ATOM 17 HG1 THR A 2 4.520 7.474 -6.466 1.00 0.00 H ATOM 18 HG21 THR A 2 5.872 5.474 -3.739 1.00 0.00 H ATOM 19 HG22 THR A 2 4.504 5.362 -4.846 1.00 0.00 H ATOM 20 HG23 THR A 2 4.295 6.108 -3.262 1.00 0.00 H ATOM 21 N ARG A 3 7.855 8.021 -2.880 1.00 0.00 N ATOM 22 CA ARG A 3 8.937 7.557 -2.009 1.00 0.00 C ATOM 23 C ARG A 3 8.862 8.181 -0.614 1.00 0.00 C ATOM 24 O ARG A 3 8.891 7.469 0.387 1.00 0.00 O ATOM 25 CB ARG A 3 10.295 7.863 -2.651 1.00 0.00 C ATOM 26 CG ARG A 3 11.490 7.525 -1.768 1.00 0.00 C ATOM 27 CD ARG A 3 12.170 8.781 -1.238 1.00 0.00 C ATOM 28 NE ARG A 3 12.758 9.579 -2.316 1.00 0.00 N ATOM 29 CZ ARG A 3 13.433 10.715 -2.127 1.00 0.00 C ATOM 30 NH1 ARG A 3 13.621 11.196 -0.901 1.00 0.00 N ATOM 31 NH2 ARG A 3 13.927 11.369 -3.173 1.00 0.00 N ATOM 32 H ARG A 3 8.083 8.458 -3.727 1.00 0.00 H ATOM 33 HA ARG A 3 8.837 6.489 -1.910 1.00 0.00 H ATOM 34 HB2 ARG A 3 10.381 7.295 -3.565 1.00 0.00 H ATOM 35 HB3 ARG A 3 10.337 8.916 -2.888 1.00 0.00 H ATOM 36 HG2 ARG A 3 11.152 6.932 -0.931 1.00 0.00 H ATOM 37 HG3 ARG A 3 12.203 6.958 -2.349 1.00 0.00 H ATOM 38 HD2 ARG A 3 11.437 9.380 -0.717 1.00 0.00 H ATOM 39 HD3 ARG A 3 12.950 8.490 -0.551 1.00 0.00 H ATOM 40 HE ARG A 3 12.645 9.249 -3.233 1.00 0.00 H ATOM 41 HH11 ARG A 3 13.257 10.708 -0.108 1.00 0.00 H ATOM 42 HH12 ARG A 3 14.129 12.048 -0.772 1.00 0.00 H ATOM 43 HH21 ARG A 3 13.793 11.011 -4.097 1.00 0.00 H ATOM 44 HH22 ARG A 3 14.434 12.221 -3.036 1.00 0.00 H ATOM 45 N GLN A 4 8.782 9.507 -0.554 1.00 0.00 N ATOM 46 CA GLN A 4 8.725 10.218 0.724 1.00 0.00 C ATOM 47 C GLN A 4 7.378 10.033 1.432 1.00 0.00 C ATOM 48 O GLN A 4 7.328 9.910 2.657 1.00 0.00 O ATOM 49 CB GLN A 4 8.997 11.710 0.517 1.00 0.00 C ATOM 50 CG GLN A 4 9.099 12.491 1.817 1.00 0.00 C ATOM 51 CD GLN A 4 9.312 13.974 1.591 1.00 0.00 C ATOM 52 OE1 GLN A 4 10.296 14.384 0.977 1.00 0.00 O ATOM 53 NE2 GLN A 4 8.386 14.790 2.085 1.00 0.00 N ATOM 54 H GLN A 4 8.774 10.021 -1.388 1.00 0.00 H ATOM 55 HA GLN A 4 9.502 9.812 1.356 1.00 0.00 H ATOM 56 HB2 GLN A 4 9.927 11.824 -0.019 1.00 0.00 H ATOM 57 HB3 GLN A 4 8.196 12.135 -0.072 1.00 0.00 H ATOM 58 HG2 GLN A 4 8.185 12.355 2.375 1.00 0.00 H ATOM 59 HG3 GLN A 4 9.929 12.106 2.390 1.00 0.00 H ATOM 60 HE21 GLN A 4 7.626 14.395 2.560 1.00 0.00 H ATOM 61 HE22 GLN A 4 8.503 15.754 1.954 1.00 0.00 H ATOM 62 N ALA A 5 6.291 10.045 0.662 1.00 0.00 N ATOM 63 CA ALA A 5 4.948 9.913 1.225 1.00 0.00 C ATOM 64 C ALA A 5 4.658 8.513 1.767 1.00 0.00 C ATOM 65 O ALA A 5 4.217 8.365 2.910 1.00 0.00 O ATOM 66 CB ALA A 5 3.906 10.292 0.184 1.00 0.00 C ATOM 67 H ALA A 5 6.393 10.166 -0.305 1.00 0.00 H ATOM 68 HA ALA A 5 4.866 10.616 2.038 1.00 0.00 H ATOM 69 HB1 ALA A 5 4.084 11.302 -0.154 1.00 0.00 H ATOM 70 HB2 ALA A 5 2.921 10.226 0.622 1.00 0.00 H ATOM 71 HB3 ALA A 5 3.973 9.615 -0.655 1.00 0.00 H ATOM 72 N LYS A 6 4.877 7.492 0.940 1.00 0.00 N ATOM 73 CA LYS A 6 4.600 6.113 1.344 1.00 0.00 C ATOM 74 C LYS A 6 5.571 5.606 2.412 1.00 0.00 C ATOM 75 O LYS A 6 5.141 5.051 3.420 1.00 0.00 O ATOM 76 CB LYS A 6 4.613 5.167 0.144 1.00 0.00 C ATOM 77 CG LYS A 6 4.105 3.779 0.502 1.00 0.00 C ATOM 78 CD LYS A 6 5.096 2.694 0.127 1.00 0.00 C ATOM 79 CE LYS A 6 4.928 1.471 1.015 1.00 0.00 C ATOM 80 NZ LYS A 6 5.423 1.709 2.372 1.00 0.00 N ATOM 81 H LYS A 6 5.211 7.672 0.037 1.00 0.00 H ATOM 82 HA LYS A 6 3.609 6.103 1.767 1.00 0.00 H ATOM 83 HB2 LYS A 6 3.982 5.575 -0.633 1.00 0.00 H ATOM 84 HB3 LYS A 6 5.623 5.078 -0.227 1.00 0.00 H ATOM 85 HG2 LYS A 6 3.930 3.736 1.567 1.00 0.00 H ATOM 86 HG3 LYS A 6 3.176 3.602 -0.021 1.00 0.00 H ATOM 87 HD2 LYS A 6 4.932 2.406 -0.901 1.00 0.00 H ATOM 88 HD3 LYS A 6 6.100 3.077 0.243 1.00 0.00 H ATOM 89 HE2 LYS A 6 3.878 1.219 1.062 1.00 0.00 H ATOM 90 HE3 LYS A 6 5.476 0.648 0.581 1.00 0.00 H ATOM 91 HZ1 LYS A 6 6.395 1.746 2.493 1.00 0.00 H ATOM 92 N ARG A 7 6.874 5.789 2.189 1.00 0.00 N ATOM 93 CA ARG A 7 7.889 5.335 3.152 1.00 0.00 C ATOM 94 C ARG A 7 7.571 5.814 4.566 1.00 0.00 C ATOM 95 O ARG A 7 7.720 5.064 5.533 1.00 0.00 O ATOM 96 CB ARG A 7 9.283 5.829 2.753 1.00 0.00 C ATOM 97 CG ARG A 7 9.908 5.071 1.591 1.00 0.00 C ATOM 98 CD ARG A 7 10.228 3.633 1.970 1.00 0.00 C ATOM 99 NE ARG A 7 11.073 2.971 0.972 1.00 0.00 N ATOM 100 CZ ARG A 7 12.357 3.281 0.741 1.00 0.00 C ATOM 101 NH1 ARG A 7 12.960 4.245 1.434 1.00 0.00 N ATOM 102 NH2 ARG A 7 13.042 2.614 -0.187 1.00 0.00 N ATOM 103 H ARG A 7 7.158 6.235 1.363 1.00 0.00 H ATOM 104 HA ARG A 7 7.886 4.256 3.147 1.00 0.00 H ATOM 105 HB2 ARG A 7 9.217 6.871 2.479 1.00 0.00 H ATOM 106 HB3 ARG A 7 9.939 5.735 3.606 1.00 0.00 H ATOM 107 HG2 ARG A 7 9.215 5.070 0.762 1.00 0.00 H ATOM 108 HG3 ARG A 7 10.820 5.569 1.299 1.00 0.00 H ATOM 109 HD2 ARG A 7 10.738 3.631 2.921 1.00 0.00 H ATOM 110 HD3 ARG A 7 9.301 3.084 2.060 1.00 0.00 H ATOM 111 HE ARG A 7 10.663 2.255 0.441 1.00 0.00 H ATOM 112 HH11 ARG A 7 12.457 4.748 2.138 1.00 0.00 H ATOM 113 HH12 ARG A 7 13.918 4.468 1.252 1.00 0.00 H ATOM 114 HH21 ARG A 7 12.598 1.884 -0.708 1.00 0.00 H ATOM 115 HH22 ARG A 7 14.001 2.842 -0.364 1.00 0.00 H ATOM 116 N ASN A 8 7.135 7.068 4.676 1.00 0.00 N ATOM 117 CA ASN A 8 6.797 7.656 5.966 1.00 0.00 C ATOM 118 C ASN A 8 5.578 6.971 6.580 1.00 0.00 C ATOM 119 O ASN A 8 5.616 6.550 7.736 1.00 0.00 O ATOM 120 CB ASN A 8 6.534 9.158 5.809 1.00 0.00 C ATOM 121 CG ASN A 8 6.320 9.860 7.139 1.00 0.00 C ATOM 122 OD1 ASN A 8 5.346 9.597 7.845 1.00 0.00 O ATOM 123 ND2 ASN A 8 7.235 10.758 7.490 1.00 0.00 N ATOM 124 H ASN A 8 7.040 7.611 3.867 1.00 0.00 H ATOM 125 HA ASN A 8 7.641 7.516 6.622 1.00 0.00 H ATOM 126 HB2 ASN A 8 7.376 9.616 5.314 1.00 0.00 H ATOM 127 HB3 ASN A 8 5.650 9.298 5.204 1.00 0.00 H ATOM 128 HD21 ASN A 8 7.987 10.917 6.882 1.00 0.00 H ATOM 129 HD22 ASN A 8 7.121 11.225 8.344 1.00 0.00 H ATOM 130 N ARG A 9 4.498 6.866 5.802 1.00 0.00 N ATOM 131 CA ARG A 9 3.265 6.237 6.283 1.00 0.00 C ATOM 132 C ARG A 9 3.449 4.742 6.550 1.00 0.00 C ATOM 133 O ARG A 9 2.882 4.213 7.504 1.00 0.00 O ATOM 134 CB ARG A 9 2.105 6.459 5.305 1.00 0.00 C ATOM 135 CG ARG A 9 2.302 5.828 3.935 1.00 0.00 C ATOM 136 CD ARG A 9 1.084 6.036 3.045 1.00 0.00 C ATOM 137 NE ARG A 9 0.793 7.454 2.818 1.00 0.00 N ATOM 138 CZ ARG A 9 -0.261 7.900 2.128 1.00 0.00 C ATOM 139 NH1 ARG A 9 -1.135 7.046 1.600 1.00 0.00 N ATOM 140 NH2 ARG A 9 -0.445 9.207 1.966 1.00 0.00 N ATOM 141 H ARG A 9 4.530 7.224 4.891 1.00 0.00 H ATOM 142 HA ARG A 9 3.014 6.713 7.221 1.00 0.00 H ATOM 143 HB2 ARG A 9 1.207 6.044 5.736 1.00 0.00 H ATOM 144 HB3 ARG A 9 1.967 7.522 5.169 1.00 0.00 H ATOM 145 HG2 ARG A 9 3.162 6.277 3.463 1.00 0.00 H ATOM 146 HG3 ARG A 9 2.470 4.766 4.058 1.00 0.00 H ATOM 147 HD2 ARG A 9 1.266 5.562 2.092 1.00 0.00 H ATOM 148 HD3 ARG A 9 0.228 5.575 3.515 1.00 0.00 H ATOM 149 HE ARG A 9 1.417 8.110 3.196 1.00 0.00 H ATOM 150 HH11 ARG A 9 -1.008 6.061 1.717 1.00 0.00 H ATOM 151 HH12 ARG A 9 -1.920 7.390 1.084 1.00 0.00 H ATOM 152 HH21 ARG A 9 0.204 9.858 2.361 1.00 0.00 H ATOM 153 HH22 ARG A 9 -1.233 9.541 1.448 1.00 0.00 H ATOM 154 N ASP A 10 4.240 4.062 5.713 1.00 0.00 N ATOM 155 CA ASP A 10 4.482 2.630 5.887 1.00 0.00 C ATOM 156 C ASP A 10 5.147 2.349 7.232 1.00 0.00 C ATOM 157 O ASP A 10 4.735 1.446 7.960 1.00 0.00 O ATOM 158 CB ASP A 10 5.369 2.069 4.764 1.00 0.00 C ATOM 159 CG ASP A 10 4.641 1.856 3.445 1.00 0.00 C ATOM 160 OD1 ASP A 10 3.410 1.796 3.398 1.00 0.00 O ATOM 161 H ASP A 10 4.672 4.533 4.970 1.00 0.00 H ATOM 162 HA ASP A 10 3.525 2.129 5.863 1.00 0.00 H ATOM 163 HB2 ASP A 10 6.183 2.757 4.588 1.00 0.00 H ATOM 164 HB3 ASP A 10 5.776 1.120 5.082 1.00 0.00 H ATOM 165 N ARG A 11 6.185 3.122 7.546 1.00 0.00 N ATOM 166 CA ARG A 11 6.922 2.953 8.795 1.00 0.00 C ATOM 167 C ARG A 11 6.060 3.308 10.006 1.00 0.00 C ATOM 168 O ARG A 11 6.022 2.564 10.986 1.00 0.00 O ATOM 169 CB ARG A 11 8.185 3.819 8.780 1.00 0.00 C ATOM 170 CG ARG A 11 9.147 3.537 9.925 1.00 0.00 C ATOM 171 CD ARG A 11 9.919 2.240 9.710 1.00 0.00 C ATOM 172 NE ARG A 11 9.094 1.046 9.910 1.00 0.00 N ATOM 173 CZ ARG A 11 9.488 -0.193 9.600 1.00 0.00 C ATOM 174 NH1 ARG A 11 10.688 -0.407 9.067 1.00 0.00 N ATOM 175 NH2 ARG A 11 8.679 -1.222 9.825 1.00 0.00 N ATOM 176 H ARG A 11 6.468 3.819 6.915 1.00 0.00 H ATOM 177 HA ARG A 11 7.206 1.916 8.868 1.00 0.00 H ATOM 178 HB2 ARG A 11 8.709 3.652 7.850 1.00 0.00 H ATOM 179 HB3 ARG A 11 7.894 4.858 8.833 1.00 0.00 H ATOM 180 HG2 ARG A 11 9.848 4.353 10.002 1.00 0.00 H ATOM 181 HG3 ARG A 11 8.580 3.459 10.841 1.00 0.00 H ATOM 182 HD2 ARG A 11 10.302 2.232 8.701 1.00 0.00 H ATOM 183 HD3 ARG A 11 10.746 2.214 10.405 1.00 0.00 H ATOM 184 HE ARG A 11 8.204 1.171 10.303 1.00 0.00 H ATOM 185 HH11 ARG A 11 11.307 0.359 8.895 1.00 0.00 H ATOM 186 HH12 ARG A 11 10.973 -1.338 8.836 1.00 0.00 H ATOM 187 HH21 ARG A 11 7.777 -1.070 10.227 1.00 0.00 H ATOM 188 HH22 ARG A 11 8.972 -2.149 9.589 1.00 0.00 H ATOM 189 N ARG A 12 5.373 4.450 9.932 1.00 0.00 N ATOM 190 CA ARG A 12 4.513 4.903 11.026 1.00 0.00 C ATOM 191 C ARG A 12 3.365 3.922 11.263 1.00 0.00 C ATOM 192 O ARG A 12 3.030 3.616 12.406 1.00 0.00 O ATOM 193 CB ARG A 12 3.957 6.304 10.736 1.00 0.00 C ATOM 194 CG ARG A 12 5.025 7.387 10.586 1.00 0.00 C ATOM 195 CD ARG A 12 5.854 7.568 11.856 1.00 0.00 C ATOM 196 NE ARG A 12 6.811 6.475 12.066 1.00 0.00 N ATOM 197 CZ ARG A 12 7.623 6.379 13.124 1.00 0.00 C ATOM 198 NH1 ARG A 12 7.622 7.316 14.070 1.00 0.00 N ATOM 199 NH2 ARG A 12 8.448 5.344 13.232 1.00 0.00 N ATOM 200 H ARG A 12 5.446 5.000 9.123 1.00 0.00 H ATOM 201 HA ARG A 12 5.115 4.944 11.920 1.00 0.00 H ATOM 202 HB2 ARG A 12 3.387 6.266 9.819 1.00 0.00 H ATOM 203 HB3 ARG A 12 3.299 6.589 11.543 1.00 0.00 H ATOM 204 HG2 ARG A 12 5.685 7.114 9.780 1.00 0.00 H ATOM 205 HG3 ARG A 12 4.538 8.323 10.350 1.00 0.00 H ATOM 206 HD2 ARG A 12 6.399 8.498 11.782 1.00 0.00 H ATOM 207 HD3 ARG A 12 5.184 7.614 12.702 1.00 0.00 H ATOM 208 HE ARG A 12 6.852 5.774 11.383 1.00 0.00 H ATOM 209 HH11 ARG A 12 7.011 8.104 13.996 1.00 0.00 H ATOM 210 HH12 ARG A 12 8.235 7.232 14.856 1.00 0.00 H ATOM 211 HH21 ARG A 12 8.461 4.637 12.524 1.00 0.00 H ATOM 212 HH22 ARG A 12 9.057 5.270 14.022 1.00 0.00 H ATOM 213 N LYS A 13 2.771 3.435 10.173 1.00 0.00 N ATOM 214 CA LYS A 13 1.661 2.488 10.252 1.00 0.00 C ATOM 215 C LYS A 13 2.101 1.132 10.793 1.00 0.00 C ATOM 216 O LYS A 13 1.409 0.542 11.617 1.00 0.00 O ATOM 217 CB LYS A 13 1.007 2.317 8.878 1.00 0.00 C ATOM 218 CG LYS A 13 -0.050 3.367 8.566 1.00 0.00 C ATOM 219 CD LYS A 13 -1.463 2.896 8.913 1.00 0.00 C ATOM 220 CE LYS A 13 -1.683 2.716 10.413 1.00 0.00 C ATOM 221 NZ LYS A 13 -1.201 1.426 10.915 1.00 0.00 N ATOM 222 H LYS A 13 3.090 3.720 9.291 1.00 0.00 H ATOM 223 HA LYS A 13 0.933 2.902 10.930 1.00 0.00 H ATOM 224 HB2 LYS A 13 1.775 2.375 8.120 1.00 0.00 H ATOM 225 HB3 LYS A 13 0.543 1.343 8.829 1.00 0.00 H ATOM 226 HG2 LYS A 13 0.167 4.258 9.138 1.00 0.00 H ATOM 227 HG3 LYS A 13 -0.008 3.599 7.512 1.00 0.00 H ATOM 228 HD2 LYS A 13 -2.170 3.627 8.550 1.00 0.00 H ATOM 229 HD3 LYS A 13 -1.642 1.952 8.419 1.00 0.00 H ATOM 230 HE2 LYS A 13 -1.162 3.505 10.935 1.00 0.00 H ATOM 231 HE3 LYS A 13 -2.742 2.796 10.616 1.00 0.00 H ATOM 232 HZ1 LYS A 13 -0.379 1.066 10.527 1.00 0.00 H ATOM 233 N ARG A 14 3.244 0.634 10.329 1.00 0.00 N ATOM 234 CA ARG A 14 3.742 -0.662 10.783 1.00 0.00 C ATOM 235 C ARG A 14 4.031 -0.629 12.286 1.00 0.00 C ATOM 236 O ARG A 14 3.651 -1.542 13.021 1.00 0.00 O ATOM 237 CB ARG A 14 5.005 -1.048 10.001 1.00 0.00 C ATOM 238 CG ARG A 14 5.193 -2.550 9.841 1.00 0.00 C ATOM 239 CD ARG A 14 5.523 -3.223 11.164 1.00 0.00 C ATOM 240 NE ARG A 14 5.295 -4.667 11.126 1.00 0.00 N ATOM 241 CZ ARG A 14 4.088 -5.237 11.033 1.00 0.00 C ATOM 242 NH1 ARG A 14 2.984 -4.491 10.970 1.00 0.00 N ATOM 243 NH2 ARG A 14 3.983 -6.561 11.010 1.00 0.00 N ATOM 244 H ARG A 14 3.760 1.144 9.667 1.00 0.00 H ATOM 245 HA ARG A 14 2.970 -1.397 10.595 1.00 0.00 H ATOM 246 HB2 ARG A 14 4.955 -0.608 9.017 1.00 0.00 H ATOM 247 HB3 ARG A 14 5.868 -0.654 10.518 1.00 0.00 H ATOM 248 HG2 ARG A 14 4.281 -2.974 9.451 1.00 0.00 H ATOM 249 HG3 ARG A 14 6.000 -2.728 9.145 1.00 0.00 H ATOM 250 HD2 ARG A 14 6.563 -3.042 11.392 1.00 0.00 H ATOM 251 HD3 ARG A 14 4.909 -2.792 11.936 1.00 0.00 H ATOM 252 HE ARG A 14 6.084 -5.248 11.173 1.00 0.00 H ATOM 253 HH11 ARG A 14 3.048 -3.493 10.992 1.00 0.00 H ATOM 254 HH12 ARG A 14 2.087 -4.930 10.898 1.00 0.00 H ATOM 255 HH21 ARG A 14 4.805 -7.129 11.062 1.00 0.00 H ATOM 256 HH22 ARG A 14 3.082 -6.991 10.940 1.00 0.00 H ATOM 257 N GLU A 15 4.695 0.432 12.737 1.00 0.00 N ATOM 258 CA GLU A 15 5.033 0.591 14.151 1.00 0.00 C ATOM 259 C GLU A 15 3.782 0.800 15.012 1.00 0.00 C ATOM 260 O GLU A 15 3.650 0.200 16.081 1.00 0.00 O ATOM 261 CB GLU A 15 5.995 1.772 14.319 1.00 0.00 C ATOM 262 CG GLU A 15 6.373 2.081 15.760 1.00 0.00 C ATOM 263 CD GLU A 15 7.252 3.315 15.870 1.00 0.00 C ATOM 264 OE1 GLU A 15 8.377 3.293 15.330 1.00 0.00 O ATOM 265 OE2 GLU A 15 6.814 4.305 16.491 1.00 0.00 O ATOM 266 H GLU A 15 4.965 1.131 12.103 1.00 0.00 H ATOM 267 HA GLU A 15 5.528 -0.311 14.473 1.00 0.00 H ATOM 268 HB2 GLU A 15 6.902 1.555 13.776 1.00 0.00 H ATOM 269 HB3 GLU A 15 5.536 2.654 13.894 1.00 0.00 H ATOM 270 HG2 GLU A 15 5.471 2.249 16.330 1.00 0.00 H ATOM 271 HG3 GLU A 15 6.909 1.238 16.173 1.00 0.00 H ATOM 272 N ARG A 16 2.878 1.665 14.545 1.00 0.00 N ATOM 273 CA ARG A 16 1.646 1.973 15.275 1.00 0.00 C ATOM 274 C ARG A 16 0.642 0.824 15.204 1.00 0.00 C ATOM 275 O ARG A 16 0.239 0.273 16.230 1.00 0.00 O ATOM 276 CB ARG A 16 1.000 3.239 14.701 1.00 0.00 C ATOM 277 CG ARG A 16 0.257 4.076 15.729 1.00 0.00 C ATOM 278 CD ARG A 16 1.127 5.213 16.249 1.00 0.00 C ATOM 279 NE ARG A 16 2.360 4.734 16.880 1.00 0.00 N ATOM 280 CZ ARG A 16 3.382 5.523 17.225 1.00 0.00 C ATOM 281 NH1 ARG A 16 3.351 6.828 16.964 1.00 0.00 N ATOM 282 NH2 ARG A 16 4.447 5.002 17.822 1.00 0.00 N ATOM 283 H ARG A 16 3.049 2.115 13.693 1.00 0.00 H ATOM 284 HA ARG A 16 1.904 2.146 16.306 1.00 0.00 H ATOM 285 HB2 ARG A 16 1.770 3.853 14.260 1.00 0.00 H ATOM 286 HB3 ARG A 16 0.300 2.952 13.931 1.00 0.00 H ATOM 287 HG2 ARG A 16 -0.626 4.493 15.268 1.00 0.00 H ATOM 288 HG3 ARG A 16 -0.030 3.444 16.557 1.00 0.00 H ATOM 289 HD2 ARG A 16 1.388 5.853 15.419 1.00 0.00 H ATOM 290 HD3 ARG A 16 0.561 5.780 16.973 1.00 0.00 H ATOM 291 HE ARG A 16 2.427 3.775 17.069 1.00 0.00 H ATOM 292 HH11 ARG A 16 2.559 7.232 16.506 1.00 0.00 H ATOM 293 HH12 ARG A 16 4.124 7.407 17.226 1.00 0.00 H ATOM 294 HH21 ARG A 16 4.484 4.021 18.014 1.00 0.00 H ATOM 295 HH22 ARG A 16 5.215 5.590 18.077 1.00 0.00 H ATOM 296 N ASP A 17 0.239 0.481 13.982 1.00 0.00 N ATOM 297 CA ASP A 17 -0.729 -0.591 13.746 1.00 0.00 C ATOM 298 C ASP A 17 -0.147 -1.953 14.122 1.00 0.00 C ATOM 299 O ASP A 17 -0.773 -2.728 14.849 1.00 0.00 O ATOM 300 CB ASP A 17 -1.169 -0.587 12.276 1.00 0.00 C ATOM 301 CG ASP A 17 -1.819 0.727 11.871 1.00 0.00 C ATOM 302 OD1 ASP A 17 -2.854 1.111 12.419 1.00 0.00 O ATOM 303 H ASP A 17 0.600 0.971 13.213 1.00 0.00 H ATOM 304 HA ASP A 17 -1.591 -0.399 14.367 1.00 0.00 H ATOM 305 HB2 ASP A 17 -0.306 -0.749 11.647 1.00 0.00 H ATOM 306 HB3 ASP A 17 -1.876 -1.383 12.115 1.00 0.00 H HETATM 307 N NH2 A 18 1.057 -2.240 13.635 1.00 0.00 N HETATM 308 HN1 NH2 A 18 1.498 -1.575 13.061 1.00 0.00 H HETATM 309 HN2 NH2 A 18 1.457 -3.101 13.871 1.00 0.00 H TER 310 NH2 A 18 ENDMDL CONECT 1 2 3 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 80 159 CONECT 159 80 CONECT 221 301 CONECT 301 221 CONECT 307 308 309 CONECT 308 307 CONECT 309 307 MASTER 73 0 2 1 0 0 0 6 151 1 13 2 END