[gmx-users] pdb file
Dallas Warren
Dallas.Warren at monash.edu
Mon Aug 9 03:30:26 CEST 2010
This is a VMD issue, it estimates which atoms are bonded together by the
distance that the atoms are separated. Obviously, the bonds that you
see "disappear" are due to them being separated by a distance larger
than what VMD would say is "bonded".
Catch ya,
Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at pharm.monash.edu.au
+61 3 9903 9167
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble
a nail.
> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-
> bounces at gromacs.org] On Behalf Of leila karami
> Sent: Friday, 6 August 2010 11:00 PM
> To: gmx-users
> Subject: [gmx-users] pdb file
>
> Hi gromacs users
>
> I obtained pdb input file for gromacs from STRAP program. this pdb
> file coantains protein and dna. this pdb file was obtaind form
> superposition of 2 other pdb files. there is one problem: when I see
> pdb file obtained from STRAP program by VMD, some bonds are
> disappeared whereas when I open same file by text editor all things
> are normal.as I can not attached this pdb file, I put residues 10-40
> corresponding to protein from pdb.
>
> please guide me
>
>
> ATOM 95 N GLY A 10 -1.818 -6.947 -14.722 1.00 0.00
> N
> ATOM 96 CA GLY A 10 -1.256 -7.638 -13.576 1.00 0.00
> C
> ATOM 97 C GLY A 10 -2.311 -8.357 -12.758 1.00 0.00
> C
> ATOM 98 O GLY A 10 -3.368 -7.797 -12.468 1.00 0.00
> O
> ATOM 99 H GLY A 10 -2.768 -7.530 -14.939 1.00 0.00
> H
> ATOM 100 HA2 GLY A 10 -0.531 -8.359 -13.923 1.00 0.00
> H
> ATOM 101 HA3 GLY A 10 -0.758 -6.916 -12.944 1.00 0.00
> H
> ATOM 102 N GLN A 11 -2.230 -9.602 -12.388 1.00 0.00
> N
> ATOM 103 CA GLN A 11 -2.957 -10.399 -11.600 1.00 0.00
> C
> ATOM 104 C GLN A 11 -2.588 -10.366 -10.121 1.00 0.00
> C
> ATOM 105 O GLN A 11 -1.978 -11.302 -9.604 1.00 0.00
> O
> ATOM 106 CB GLN A 11 -2.977 -11.843 -12.104 1.00 0.00
> C
> ATOM 107 CG GLN A 11 -3.963 -12.790 -13.236 1.00 0.00
> C
> ATOM 108 CD GLN A 11 -5.336 -11.508 -12.942 1.00 0.00
> C
> ATOM 109 OE1 GLN A 11 -5.869 -11.673 -11.845 1.00 0.00
> O
> ATOM 110 NE2 GLN A 11 -5.918 -10.829 -13.926 1.00 0.00
> N
> ATOM 111 H GLN A 11 -1.164 -9.991 -12.649 1.00 0.00
> H
> ATOM 112 HA GLN A 11 -3.941 -9.972 -11.722 1.00 0.00
> H
> ATOM 113 HB2 GLN A 11 -1.990 -12.102 -12.454 1.00 0.00
> H
> ATOM 114 HB3 GLN A 11 -3.242 -12.493 -11.282 1.00 0.00
> H
> ATOM 115 HG2 GLN A 11 -3.582 -11.616 -14.132 1.00 0.00
> H
> ATOM 116 HG3 GLN A 11 -4.590 -13.144 -13.395 1.00 0.00
> H
> ATOM 117 HE21 GLN A 11 -5.434 -10.739 -14.774 1.00 0.00
> H
> ATOM 118 HE22 GLN A 11 -6.805 -10.449 -13.763 1.00 0.00
> H
> ATOM 119 N VAL A 12 -2.960 -9.284 -9.446 1.00 0.00
> N
> ATOM 120 CA VAL A 12 -2.670 -9.130 -8.270 1.00 0.00
> C
> ATOM 121 C VAL A 12 -3.937 -8.829 -7.235 1.00 0.00
> C
> ATOM 122 O VAL A 12 -4.775 -8.340 -7.664 1.00 0.00
> O
> ATOM 123 CB VAL A 12 -1.644 -8.800 -7.782 1.00 0.00
> C
> ATOM 124 CG1 VAL A 12 -1.342 -7.874 -6.296 1.00 0.00
> C
> ATOM 125 CG2 VAL A 12 -0.370 -8.270 -8.571 1.00 0.00
> C
> ATOM 126 H VAL A 12 -3.444 -8.572 -9.914 1.00 0.00
> H
> ATOM 127 HA VAL A 12 -2.246 -10.600 -7.670 1.00 0.00
> H
> ATOM 128 HB VAL A 12 -2.710 -7.780 -8.126 1.00 0.00
> H
> ATOM 129 HG11 VAL A 12 -2.268 -7.887 -5.739 1.00 0.00
> H
> ATOM 130 HG12 VAL A 12 -0.718 -8.697 -5.980 1.00 0.00
> H
> ATOM 131 HG13 VAL A 12 -0.828 -6.941 -6.117 1.00 0.00
> H
> ATOM 132 HG21 VAL A 12 0.203 -9.430 -8.830 1.00 0.00
> H
> ATOM 133 HG22 VAL A 12 -0.625 -8.588 -9.572 1.00 0.00
> H
> ATOM 134 HG23 VAL A 12 0.215 -7.363 -8.621 1.00 0.00
> H
> ATOM 135 N ARG A 13 -4.710 -9.465 -6.760 1.00 0.00
> N
> ATOM 136 CA ARG A 13 -5.236 -9.265 -5.223 1.00 0.00
> C
> ATOM 137 C ARG A 13 -5.140 -9.881 -3.845 1.00 0.00
> C
> ATOM 138 O ARG A 13 -4.412 -10.947 -3.720 1.00 0.00
> O
> ATOM 139 CB ARG A 13 -6.480 -9.873 -5.874 1.00 0.00
> C
> ATOM 140 CG ARG A 13 -7.779 -9.475 -5.194 1.00 0.00
> C
> ATOM 141 CD ARG A 13 -8.147 -10.444 -4.830 1.00 0.00
> C
> ATOM 142 NE ARG A 13 -8.819 -11.635 -4.596 1.00 0.00
> N
> ATOM 143 CZ ARG A 13 -10.800 -11.611 -5.186 1.00 0.00
> C
> ATOM 144 NH1 ARG A 13 -10.654 -10.463 -5.337 1.00 0.00
> N
> ATOM 145 NH2 ARG A 13 -10.555 -12.737 -5.628 1.00 0.00
> N
> ATOM 146 H ARG A 13 -3.368 -10.860 -5.788 1.00 0.00
> H
> ATOM 147 HA ARG A 13 -5.385 -8.201 -5.110 1.00 0.00
> H
> ATOM 148 HB2 ARG A 13 -6.526 -9.555 -6.904 1.00 0.00
> H
> ATOM 149 HB3 ARG A 13 -6.397 -10.949 -5.841 1.00 0.00
> H
> ATOM 150 HG2 ARG A 13 -7.665 -8.487 -4.770 1.00 0.00
> H
> ATOM 151 HG3 ARG A 13 -8.571 -9.465 -5.928 1.00 0.00
> H
> ATOM 152 HD2 ARG A 13 -7.245 -10.744 -3.571 1.00 0.00
> H
> ATOM 153 HD3 ARG A 13 -8.805 -9.942 -3.388 1.00 0.00
> H
> ATOM 154 HE ARG A 13 -8.359 -12.494 -4.493 1.00 0.00
> H
> ATOM 155 HH11 ARG A 13 -10.244 -9.612 -5.700 1.00 0.00
> H
> ATOM 156 HH12 ARG A 13 -11.548 -10.447 -5.784 1.00 0.00
> H
> ATOM 157 HH21 ARG A 13 -10.710 -13.604 -5.514 1.00 0.00
> H
> ATOM 158 HH22 ARG A 13 -11.449 -12.718 -6.720 1.00 0.00
> H
> ATOM 159 N PHE A 14 -5.506 -9.204 -2.814 1.00 0.00
> N
> ATOM 160 CA PHE A 14 -5.361 -9.684 -1.444 1.00 0.00
> C
> ATOM 161 C PHE A 14 -6.629 -9.416 -0.638 1.00 0.00
> C
> ATOM 162 O PHE A 14 -7.910 -8.279 -0.546 1.00 0.00
> O
> ATOM 163 CB PHE A 14 -4.163 -9.120 -0.770 1.00 0.00
> C
> ATOM 164 CG PHE A 14 -2.845 -9.366 -1.399 1.00 0.00
> C
> ATOM 165 CD1 PHE A 14 -2.352 -8.633 -2.466 1.00 0.00
> C
> ATOM 166 CD2 PHE A 14 -2.101 -10.434 -0.922 1.00 0.00
> C
> ATOM 167 CE1 PHE A 14 -1.139 -8.956 -3.460 1.00 0.00
> C
> ATOM 168 CE2 PHE A 14 -0.888 -10.762 -1.499 1.00 0.00
> C
> ATOM 169 CZ PHE A 14 -0.407 -10.220 -2.562 1.00 0.00
> C
> ATOM 170 H PHE A 14 -5.978 -8.359 -2.977 1.00 0.00
> H
> ATOM 171 HA PHE A 14 -5.191 -10.748 -1.483 1.00 0.00
> H
> ATOM 172 HB2 PHE A 14 -4.280 -7.940 -0.828 1.00 0.00
> H
> ATOM 173 HB3 PHE A 14 -4.129 -9.312 0.266 1.00 0.00
> H
> ATOM 174 HD1 PHE A 14 -2.926 -7.798 -2.845 1.00 0.00
> H
> ATOM 175 HD2 PHE A 14 -2.474 -11.130 -0.920 1.00 0.00
> H
> ATOM 176 HE1 PHE A 14 -0.768 -8.376 -3.878 1.00 0.00
> H
> ATOM 177 HE2 PHE A 14 -0.317 -11.595 -1.120 1.00 0.00
> H
> ATOM 178 HZ PHE A 14 0.540 -10.277 -3.150 1.00 0.00
> H
> ATOM 179 N SER A 15 -7.184 -10.473 -0.540 1.00 0.00
> N
> ATOM 180 CA SER A 15 -8.402 -10.355 0.740 1.00 0.00
> C
> ATOM 181 C SER A 15 -8.269 -9.239 1.773 1.00 0.00
> C
> ATOM 182 O SER A 15 -7.164 -8.798 2.880 1.00 0.00
> O
> ATOM 183 CB SER A 15 -8.708 -11.680 1.442 1.00 0.00
> C
> ATOM 184 OG SER A 15 -10.980 -11.824 1.675 1.00 0.00
> O
> ATOM 185 H SER A 15 -6.769 -11.354 -0.166 1.00 0.00
> H
> ATOM 186 HA SER A 15 -9.213 -10.116 0.710 1.00 0.00
> H
> ATOM 187 HB2 SER A 15 -8.373 -12.499 0.822 1.00 0.00
> H
> ATOM 188 HB3 SER A 15 -8.189 -11.711 2.388 1.00 0.00
> H
> ATOM 189 HG SER A 15 -10.276 -11.739 2.615 1.00 0.00
> H
> ATOM 190 N ASN A 16 -9.404 -8.788 2.296 1.00 0.00
> N
> ATOM 191 CA ASN A 16 -9.416 -7.723 3.292 1.00 0.00
> C
> ATOM 192 C ASN A 16 -8.428 -8.200 4.416 1.00 0.00
> C
> ATOM 193 O ASN A 16 -7.487 -7.260 4.646 1.00 0.00
> O
> ATOM 194 CB ASN A 16 -10.824 -7.551 3.867 1.00 0.00
> C
> ATOM 195 CG ASN A 16 -10.822 -6.795 5.180 1.00 0.00
> C
> ATOM 196 OD1 ASN A 16 -10.442 -7.334 6.219 1.00 0.00
> O
> ATOM 197 ND2 ASN A 16 -11.250 -5.538 5.140 1.00 0.00
> N
> ATOM 198 H ASN A 16 -10.253 -9.180 2.500 1.00 0.00
> H
> ATOM 199 HA ASN A 16 -9.121 -6.808 2.802 1.00 0.00
> H
> ATOM 200 HB2 ASN A 16 -11.430 -7.200 3.158 1.00 0.00
> H
> ATOM 201 HB3 ASN A 16 -11.262 -8.524 4.320 1.00 0.00
> H
> ATOM 202 HD21 ASN A 16 -11.538 -5.173 4.277 1.00 0.00
> H
> ATOM 203 HD22 ASN A 16 -11.260 -5.260 5.975 1.00 0.00
> H
> ATOM 204 N ASP A 17 -8.649 -9.128 5.113 1.00 0.00
> N
> ATOM 205 CA ASP A 17 -7.778 -9.527 6.212 1.00 0.00
> C
> ATOM 206 C ASP A 17 -6.354 -9.760 5.721 1.00 0.00
> C
> ATOM 207 O ASP A 17 -5.394 -9.267 6.311 1.00 0.00
> O
> ATOM 208 CB ASP A 17 -8.314 -10.793 6.882 1.00 0.00
> C
> ATOM 209 CG ASP A 17 -9.409 -10.498 7.888 1.00 0.00
> C
> ATOM 210 OD1 ASP A 17 -9.166 -9.694 8.812 1.00 0.00
> O
> ATOM 211 OD2 ASP A 17 -10.510 -11.690 7.750 1.00 0.00
> O
> ATOM 212 H ASP A 17 -9.416 -9.694 4.881 1.00 0.00
> H
> ATOM 213 HA ASP A 17 -7.769 -8.725 6.935 1.00 0.00
> H
> ATOM 214 HB2 ASP A 17 -8.713 -11.451 6.125 1.00 0.00
> H
> ATOM 215 HB3 ASP A 17 -7.504 -11.291 7.395 1.00 0.00
> H
> ATOM 216 N GLN A 18 -6.224 -10.517 4.635 1.00 0.00
> N
> ATOM 217 CA GLN A 18 -4.916 -10.817 4.650 1.00 0.00
> C
> ATOM 218 C GLN A 18 -4.470 -9.564 4.600 1.00 0.00
> C
> ATOM 219 O GLN A 18 -2.973 -9.513 4.605 1.00 0.00
> O
> ATOM 220 CB GLN A 18 -5.720 -11.411 2.664 1.00 0.00
> C
> ATOM 221 CG GLN A 18 -5.251 -12.920 2.658 1.00 0.00
> C
> ATOM 222 CD GLN A 18 -5.576 -13.465 1.282 1.00 0.00
> C
> ATOM 223 OE1 GLN A 18 -5.567 -12.730 0.293 1.00 0.00
> O
> ATOM 224 NE2 GLN A 18 -5.863 -14.760 1.210 1.00 0.00
> N
> ATOM 225 H GLN A 18 -7.260 -10.881 4.209 1.00 0.00
> H
> ATOM 226 HA GLN A 18 -4.435 -11.543 4.703 1.00 0.00
> H
> ATOM 227 HB2 GLN A 18 -5.934 -10.965 2.190 1.00 0.00
> H
> ATOM 228 HB3 GLN A 18 -4.190 -11.173 2.850 1.00 0.00
> H
> ATOM 229 HG2 GLN A 18 -4.337 -13.381 3.500 1.00 0.00
> H
> ATOM 230 HG3 GLN A 18 -6.590 -13.176 3.331 1.00 0.00
> H
> ATOM 231 HE21 GLN A 18 -5.852 -15.282 2.390 1.00 0.00
> H
> ATOM 232 HE22 GLN A 18 -6.780 -15.138 0.333 1.00 0.00
> H
> ATOM 233 N THR A 19 -4.519 -8.557 3.279 1.00 0.00
> N
> ATOM 234 CA THR A 19 -3.786 -7.306 3.141 1.00 0.00
> C
> ATOM 235 C THR A 19 -3.420 -6.729 4.504 1.00 0.00
> C
> ATOM 236 O THR A 19 -2.276 -6.335 4.735 1.00 0.00
> O
> ATOM 237 CB THR A 19 -4.600 -6.261 2.355 1.00 0.00
> C
> ATOM 238 OG1 THR A 19 -4.914 -6.763 1.520 1.00 0.00
> O
> ATOM 239 CG2 THR A 19 -3.828 -4.955 2.230 1.00 0.00
> C
> ATOM 240 H THR A 19 -5.381 -8.659 2.825 1.00 0.00
> H
> ATOM 241 HA THR A 19 -2.878 -7.510 2.592 1.00 0.00
> H
> ATOM 242 HB THR A 19 -5.519 -6.670 2.889 1.00 0.00
> H
> ATOM 243 HG1 THR A 19 -5.120 -7.717 1.900 1.00 0.00
> H
> ATOM 244 HG21 THR A 19 -3.194 -4.995 1.356 1.00 0.00
> H
> ATOM 245 HG22 THR A 19 -3.222 -4.810 3.111 1.00 0.00
> H
> ATOM 246 HG23 THR A 19 -4.524 -4.135 2.131 1.00 0.00
> H
> ATOM 247 N ILE A 20 -4.396 -6.682 5.402 1.00 0.00
> N
> ATOM 248 CA ILE A 20 -4.176 -6.155 6.743 1.00 0.00
> C
> ATOM 249 C ILE A 20 -2.922 -6.756 7.370 1.00 0.00
> C
> ATOM 250 O ILE A 20 -1.944 -6.530 7.619 1.00 0.00
> O
> ATOM 251 CB ILE A 20 -5.380 -6.432 7.663 1.00 0.00
> C
> ATOM 252 CG1 ILE A 20 -6.610 -5.663 7.175 1.00 0.00
> C
> ATOM 253 CG2 ILE A 20 -5.470 -6.530 9.980 1.00 0.00
> C
> ATOM 254 CD1 ILE A 20 -7.909 -6.165 7.763 1.00 0.00
> C
> ATOM 255 H ILE A 20 -5.287 -7.110 5.158 1.00 0.00
> H
> ATOM 256 HA ILE A 20 -4.470 -5.850 6.664 1.00 0.00
> H
> ATOM 257 HB ILE A 20 -5.591 -7.489 7.633 1.00 0.00
> H
> ATOM 258 HG12 ILE A 20 -6.506 -4.623 7.441 1.00 0.00
> H
> ATOM 259 HG13 ILE A 20 -6.675 -5.750 6.990 1.00 0.00
> H
> ATOM 260 HG21 ILE A 20 -4.118 -6.519 9.387 1.00 0.00
> H
> ATOM 261 HG22 ILE A 20 -4.952 -4.981 9.175 1.00 0.00
> H
> ATOM 262 HG23 ILE A 20 -5.837 -6.393 9.751 1.00 0.00
> H
> ATOM 263 HD11 ILE A 20 -8.454 -6.718 7.120 1.00 0.00
> H
> ATOM 264 HD12 ILE A 20 -7.699 -6.808 8.604 1.00 0.00
> H
> ATOM 265 HD13 ILE A 20 -8.505 -5.324 8.900 1.00 0.00
> H
> ATOM 266 N GLU A 21 -2.960 -8.620 7.622 1.00 0.00
> N
> ATOM 267 CA GLU A 21 -1.828 -8.758 8.220 1.00 0.00
> C
> ATOM 268 C GLU A 21 -0.555 -8.522 7.408 1.00 0.00
> C
> ATOM 269 O GLU A 21 0.458 -8.710 7.941 1.00 0.00
> O
> ATOM 270 CB GLU A 21 -2.114 -10.258 8.314 1.00 0.00
> C
> ATOM 271 CG GLU A 21 -3.620 -10.625 9.444 1.00 0.00
> C
> ATOM 272 CD GLU A 21 -2.835 -12.320 9.961 1.00 0.00
> C
> ATOM 273 OE1 GLU A 21 -1.673 -12.375 10.260 1.00 0.00
> O
> ATOM 274 OE2 GLU A 21 -3.822 -12.791 10.640 1.00 0.00
> O
> ATOM 275 H GLU A 21 -3.770 -8.567 7.401 1.00 0.00
> H
> ATOM 276 HA GLU A 21 -1.684 -8.364 9.213 1.00 0.00
> H
> ATOM 277 HB2 GLU A 21 -2.549 -10.588 7.383 1.00 0.00
> H
> ATOM 278 HB3 GLU A 21 -1.182 -10.779 8.470 1.00 0.00
> H
> ATOM 279 HG2 GLU A 21 -2.917 -9.932 10.258 1.00 0.00
> H
> ATOM 280 HG3 GLU A 21 -4.780 -10.548 9.830 1.00 0.00
> H
> ATOM 281 N LEU A 22 -0.619 -8.831 6.118 1.00 0.00
> N
> ATOM 282 CA LEU A 22 0.527 -8.654 5.232 1.00 0.00
> C
> ATOM 283 C LEU A 22 1.302 -7.390 5.592 1.00 0.00
> C
> ATOM 284 O LEU A 22 2.532 -7.373 5.550 1.00 0.00
> O
> ATOM 285 CB LEU A 22 0.640 -8.586 3.776 1.00 0.00
> C
> ATOM 286 CG LEU A 22 -0.261 -9.925 3.112 1.00 0.00
> C
> ATOM 287 CD1 LEU A 22 -1.700 -9.708 1.843 1.00 0.00
> C
> ATOM 288 CD2 LEU A 22 1.160 -10.694 2.808 1.00 0.00
> C
> ATOM 289 H LEU A 22 -1.453 -9.187 5.751 1.00 0.00
> H
> ATOM 290 HA LEU A 22 1.177 -9.508 5.357 1.00 0.00
> H
> ATOM 291 HB2 LEU A 22 -0.823 -7.974 3.738 1.00 0.00
> H
> ATOM 292 HB3 LEU A 22 0.850 -8.114 3.203 1.00 0.00
> H
> ATOM 293 HG LEU A 22 -0.856 -10.520 3.792 1.00 0.00
> H
> ATOM 294 HD11 LEU A 22 -0.754 -8.793 1.366 1.00 0.00
> H
> ATOM 295 HD12 LEU A 22 -2.118 -9.640 2.940 1.00 0.00
> H
> ATOM 296 HD13 LEU A 22 -0.913 -10.538 1.171 1.00 0.00
> H
> ATOM 297 HD21 LEU A 22 0.970 -11.810 1.800 1.00 0.00
> H
> ATOM 298 HD22 LEU A 22 1.118 -11.513 3.505 1.00 0.00
> H
> ATOM 299 HD23 LEU A 22 1.865 -10.340 2.901 1.00 0.00
> H
> ATOM 300 N GLU A 23 0.574 -6.335 5.946 1.00 0.00
> N
> ATOM 301 CA GLU A 23 1.195 -5.680 6.314 1.00 0.00
> C
> ATOM 302 C GLU A 23 1.865 -5.166 7.680 1.00 0.00
> C
> ATOM 303 O GLU A 23 3.790 -5.700 7.802 1.00 0.00
> O
> ATOM 304 CB GLU A 23 0.152 -3.948 6.323 1.00 0.00
> C
> ATOM 305 CG GLU A 23 -0.460 -3.676 4.960 1.00 0.00
> C
> ATOM 306 CD GLU A 23 -0.952 -2.247 4.817 1.00 0.00
> C
> ATOM 307 OE1 GLU A 23 -1.677 -1.777 5.721 1.00 0.00
> O
> ATOM 308 OE2 GLU A 23 -0.615 -1.601 3.805 1.00 0.00
> O
> ATOM 309 H GLU A 23 -0.402 -6.412 5.960 1.00 0.00
> H
> ATOM 310 HA GLU A 23 1.947 -4.841 5.572 1.00 0.00
> H
> ATOM 311 HB2 GLU A 23 -0.641 -4.217 7.600 1.00 0.00
> H
> ATOM 312 HB3 GLU A 23 0.621 -3.400 6.672 1.00 0.00
> H
> ATOM 313 HG2 GLU A 23 0.284 -3.861 4.202 1.00 0.00
> H
> ATOM 314 HG3 GLU A 23 -1.296 -4.344 4.815 1.00 0.00
> H
> ATOM 315 N LYS A 24 1.640 -5.430 8.708 1.00 0.00
> N
> ATOM 316 CA LYS A 24 1.578 -5.552 10.670 1.00 0.00
> C
> ATOM 317 C LYS A 24 2.895 -6.319 10.850 1.00 0.00
> C
> ATOM 318 O LYS A 24 3.710 -6.153 10.994 1.00 0.00
> O
> ATOM 319 CB LYS A 24 0.552 -6.256 10.960 1.00 0.00
> C
> ATOM 320 CG LYS A 24 -0.756 -5.500 11.950 1.00 0.00
> C
> ATOM 321 CD LYS A 24 -1.701 -6.192 12.620 1.00 0.00
> C
> ATOM 322 CE LYS A 24 -2.650 -5.202 12.722 1.00 0.00
> C
> ATOM 323 NZ LYS A 24 -3.881 -4.989 11.911 1.00 0.00
> N
> ATOM 324 H LYS A 24 0.104 -5.546 8.548 1.00 0.00
> H
> ATOM 325 HA LYS A 24 1.749 -4.555 10.446 1.00 0.00
> H
> ATOM 326 HB2 LYS A 24 0.342 -7.230 10.545 1.00 0.00
> H
> ATOM 327 HB3 LYS A 24 0.977 -6.378 11.947 1.00 0.00
> H
> ATOM 328 HG2 LYS A 24 -0.551 -4.505 11.460 1.00 0.00
> H
> ATOM 329 HG3 LYS A 24 -1.230 -5.440 10.126 1.00 0.00
> H
> ATOM 330 HD2 LYS A 24 -2.283 -6.925 11.524 1.00 0.00
> H
> ATOM 331 HD3 LYS A 24 -1.121 -6.685 12.829 1.00 0.00
> H
> ATOM 332 HE2 LYS A 24 -2.928 -5.580 13.692 1.00 0.00
> H
> ATOM 333 HE3 LYS A 24 -2.138 -4.257 12.836 1.00 0.00
> H
> ATOM 334 HZ1 LYS A 24 -4.725 -5.171 12.492 1.00 0.00
> H
> ATOM 335 HZ2 LYS A 24 -3.889 -5.638 11.970 1.00 0.00
> H
> ATOM 336 HZ3 LYS A 24 -3.915 -4.110 11.562 1.00 0.00
> H
> ATOM 337 N LYS A 25 3.101 -7.156 9.740 1.00 0.00
> N
> ATOM 338 CA LYS A 25 4.322 -7.946 8.970 1.00 0.00
> C
> ATOM 339 C LYS A 25 5.463 -7.111 8.399 1.00 0.00
> C
> ATOM 340 O LYS A 25 6.493 -6.921 9.480 1.00 0.00
> O
> ATOM 341 CB LYS A 25 4.850 -9.175 8.920 1.00 0.00
> C
> ATOM 342 CG LYS A 25 5.136 -10.258 8.265 1.00 0.00
> C
> ATOM 343 CD LYS A 25 5.184 -10.767 9.696 1.00 0.00
> C
> ATOM 344 CE LYS A 25 5.946 -12.790 9.796 1.00 0.00
> C
> ATOM 345 NZ LYS A 25 5.669 -12.784 11.790 1.00 0.00
> N
> ATOM 346 H LYS A 25 2.415 -7.243 8.378 1.00 0.00
> H
> ATOM 347 HA LYS A 25 4.592 -8.270 9.965 1.00 0.00
> H
> ATOM 348 HB2 LYS A 25 3.121 -9.597 8.335 1.00 0.00
> H
> ATOM 349 HB3 LYS A 25 4.830 -8.868 7.560 1.00 0.00
> H
> ATOM 350 HG2 LYS A 25 4.901 -11.830 7.609 1.00 0.00
> H
> ATOM 351 HG3 LYS A 25 6.104 -9.854 8.300 1.00 0.00
> H
> ATOM 352 HD2 LYS A 25 5.675 -10.290 10.314 1.00 0.00
> H
> ATOM 353 HD3 LYS A 25 4.173 -10.918 10.480 1.00 0.00
> H
> ATOM 354 HE2 LYS A 25 5.651 -12.715 8.975 1.00 0.00
> H
> ATOM 355 HE3 LYS A 25 7.400 -11.871 9.730 1.00 0.00
> H
> ATOM 356 HZ1 LYS A 25 6.105 -12.270 11.869 1.00 0.00
> H
> ATOM 357 HZ2 LYS A 25 6.590 -13.748 11.480 1.00 0.00
> H
> ATOM 358 HZ3 LYS A 25 4.643 -12.843 11.239 1.00 0.00
> H
> ATOM 359 N PHE A 26 5.276 -6.616 7.180 1.00 0.00
> N
> ATOM 360 CA PHE A 26 6.290 -5.801 6.522 1.00 0.00
> C
> ATOM 361 C PHE A 26 6.831 -4.735 7.469 1.00 0.00
> C
> ATOM 362 O PHE A 26 8.100 -4.357 7.394 1.00 0.00
> O
> ATOM 363 CB PHE A 26 5.710 -5.139 5.269 1.00 0.00
> C
> ATOM 364 CG PHE A 26 6.532 -3.988 4.764 1.00 0.00
> C
> ATOM 365 CD1 PHE A 26 6.343 -2.711 5.268 1.00 0.00
> C
> ATOM 366 CD2 PHE A 26 7.493 -4.184 3.786 1.00 0.00
> C
> ATOM 367 CE1 PHE A 26 7.980 -1.651 4.802 1.00 0.00
> C
> ATOM 368 CE2 PHE A 26 8.251 -3.128 3.319 1.00 0.00
> C
> ATOM 369 CZ PHE A 26 8.550 -1.860 3.828 1.00 0.00
> C
> ATOM 370 H PHE A 26 4.434 -6.802 6.713 1.00 0.00
> H
> ATOM 371 HA PHE A 26 7.100 -6.453 6.232 1.00 0.00
> H
> ATOM 372 HB2 PHE A 26 5.646 -5.874 4.480 1.00 0.00
> H
> ATOM 373 HB3 PHE A 26 4.721 -4.770 5.493 1.00 0.00
> H
> ATOM 374 HD1 PHE A 26 5.597 -2.547 6.310 1.00 0.00
> H
> ATOM 375 HD2 PHE A 26 7.650 -5.177 3.387 1.00 0.00
> H
> ATOM 376 HE1 PHE A 26 6.941 -0.661 5.203 1.00 0.00
> H
> ATOM 377 HE2 PHE A 26 8.998 -3.295 2.555 1.00 0.00
> H
> ATOM 378 HZ PHE A 26 8.645 -1.320 3.463 1.00 0.00
> H
> ATOM 379 N GLU A 27 5.970 -4.251 8.362 1.00 0.00
> N
> ATOM 380 CA GLU A 27 6.361 -3.227 9.322 1.00 0.00
> C
> ATOM 381 C GLU A 27 7.430 -3.756 10.276 1.00 0.00
> C
> ATOM 382 O GLU A 27 8.467 -3.119 10.479 1.00 0.00
> O
> ATOM 383 CB GLU A 27 5.144 -2.753 10.119 1.00 0.00
> C
> ATOM 384 CG GLU A 27 3.954 -2.384 9.248 1.00 0.00
> C
> ATOM 385 CD GLU A 27 4.370 -0.964 8.718 1.00 0.00
> C
> ATOM 386 OE1 GLU A 27 4.697 -0.127 9.366 1.00 0.00
> O
> ATOM 387 OE2 GLU A 27 3.440 -0.694 7.656 1.00 0.00
> O
> ATOM 388 H GLU A 27 5.520 -4.592 8.371 1.00 0.00
> H
> ATOM 389 HA GLU A 27 6.768 -2.394 8.772 1.00 0.00
> H
> ATOM 390 HB2 GLU A 27 4.841 -3.539 10.793 1.00 0.00
> H
> ATOM 391 HB3 GLU A 27 5.425 -1.884 10.696 1.00 0.00
> H
> ATOM 392 HG2 GLU A 27 3.914 -3.620 8.409 1.00 0.00
> H
> ATOM 393 HG3 GLU A 27 3.520 -2.481 9.833 1.00 0.00
> H
> ATOM 394 N THR A 28 7.173 -4.922 10.857 1.00 0.00
> N
> ATOM 395 CA THR A 28 8.111 -5.536 11.788 1.00 0.00
> C
> ATOM 396 C THR A 28 9.331 -6.860 11.590 1.00 0.00
> C
> ATOM 397 O THR A 28 10.402 -6.235 11.647 1.00 0.00
> O
> ATOM 398 CB THR A 28 7.447 -6.673 12.586 1.00 0.00
> C
> ATOM 399 OG1 THR A 28 6.815 -7.596 11.692 1.00 0.00
> O
> ATOM 400 CG2 THR A 28 6.420 -6.123 13.564 1.00 0.00
> C
> ATOM 401 H THR A 28 6.331 -5.381 10.654 1.00 0.00
> H
> ATOM 402 HA THR A 28 8.434 -4.776 12.486 1.00 0.00
> H
> ATOM 403 HB THR A 28 8.211 -7.195 13.145 1.00 0.00
> H
> ATOM 404 HG1 THR A 28 7.451 -8.258 11.413 1.00 0.00
> H
> ATOM 405 HG21 THR A 28 5.737 -6.908 13.850 1.00 0.00
> H
> ATOM 406 HG22 THR A 28 5.869 -5.322 13.930 1.00 0.00
> H
> ATOM 407 HG23 THR A 28 6.925 -5.746 14.441 1.00 0.00
> H
> ATOM 408 N GLN A 29 9.161 -6.387 9.776 1.00 0.00
> N
> ATOM 409 CA GLN A 29 10.250 -6.921 8.965 1.00 0.00
> C
> ATOM 410 C GLN A 29 9.998 -6.671 7.482 1.00 0.00
> C
> ATOM 411 O GLN A 29 9.830 -7.244 6.893 1.00 0.00
> O
> ATOM 412 CB GLN A 29 10.416 -8.420 9.222 1.00 0.00
> C
> ATOM 413 CG GLN A 29 11.845 -8.911 9.500 1.00 0.00
> C
> ATOM 414 CD GLN A 29 11.934 -10.421 8.956 1.00 0.00
> C
> ATOM 415 OE1 GLN A 29 11.190 -11.142 9.621 1.00 0.00
> O
> ATOM 416 NE2 GLN A 29 12.850 -10.909 8.128 1.00 0.00
> N
> ATOM 417 H GLN A 29 8.284 -6.245 9.364 1.00 0.00
> H
> ATOM 418 HA GLN A 29 11.157 -6.413 9.255 1.00 0.00
> H
> ATOM 419 HB2 GLN A 29 10.102 -8.637 10.232 1.00 0.00
> H
> ATOM 420 HB3 GLN A 29 9.786 -8.963 8.534 1.00 0.00
> H
> ATOM 421 HG2 GLN A 29 12.253 -8.486 8.147 1.00 0.00
> H
> ATOM 422 HG3 GLN A 29 12.428 -8.581 9.897 1.00 0.00
> H
> ATOM 423 HE21 GLN A 29 13.409 -10.276 7.631 1.00 0.00
> H
> ATOM 424 HE22 GLN A 29 12.930 -11.883 8.480 1.00 0.00
> H
> ATOM 425 N LYS A 30 10.817 -5.813 6.885 1.00 0.00
> N
> ATOM 426 CA LYS A 30 10.685 -5.487 5.469 1.00 0.00
> C
> ATOM 427 C LYS A 30 10.743 -6.749 4.613 1.00 0.00
> C
> ATOM 428 O LYS A 30 10.140 -6.812 3.542 1.00 0.00
> O
> ATOM 429 CB LYS A 30 11.788 -4.518 5.430 1.00 0.00
> C
> ATOM 430 CG LYS A 30 11.829 -3.243 5.867 1.00 0.00
> C
> ATOM 431 CD LYS A 30 10.746 -2.266 5.439 1.00 0.00
> C
> ATOM 432 CE LYS A 30 10.347 -1.342 6.579 1.00 0.00
> C
> ATOM 433 NZ LYS A 30 9.569 -2.590 7.628 1.00 0.00
> N
> ATOM 434 H LYS A 30 11.529 -5.388 7.408 1.00 0.00
> H
> ATOM 435 HA LYS A 30 9.725 -5.130 5.327 1.00 0.00
> H
> ATOM 436 HB2 LYS A 30 12.743 -5.130 5.137 1.00 0.00
> H
> ATOM 437 HB3 LYS A 30 11.633 -4.248 4.700 1.00 0.00
> H
> ATOM 438 HG2 LYS A 30 11.684 -3.492 6.907 1.00 0.00
> H
> ATOM 439 HG3 LYS A 30 12.795 -2.773 5.738 1.00 0.00
> H
> ATOM 440 HD2 LYS A 30 11.116 -1.669 4.618 1.00 0.00
> H
> ATOM 441 HD3 LYS A 30 9.878 -2.825 5.118 1.00 0.00
> H
> ATOM 442 HE2 LYS A 30 11.241 -0.932 7.240 1.00 0.00
> H
> ATOM 443 HE3 LYS A 30 9.743 -0.541 6.180 1.00 0.00
> H
> ATOM 444 HZ1 LYS A 30 8.550 -1.940 7.461 1.00 0.00
> H
> ATOM 445 HZ2 LYS A 30 9.803 -1.680 8.567 1.00 0.00
> H
> ATOM 446 HZ3 LYS A 30 9.795 -3.750 7.610 1.00 0.00
> H
> ATOM 447 N TYR A 31 11.470 -7.750 5.930 1.00 0.00
> N
> ATOM 448 CA TYR A 31 11.607 -9.100 4.372 1.00 0.00
> C
> ATOM 449 C TYR A 31 11.289 -10.196 5.278 1.00 0.00
> C
> ATOM 450 O TYR A 31 11.620 -10.310 6.479 1.00 0.00
> O
> ATOM 451 CB TYR A 31 13.220 -9.149 3.809 1.00 0.00
> C
> ATOM 452 CG TYR A 31 13.295 -8.251 2.624 1.00 0.00
> C
> ATOM 453 CD1 TYR A 31 13.447 -6.880 2.786 1.00 0.00
> C
> ATOM 454 CD2 TYR A 31 13.397 -8.774 1.341 1.00 0.00
> C
> ATOM 455 CE1 TYR A 31 13.694 -6.560 1.704 1.00 0.00
> C
> ATOM 456 CE2 TYR A 31 13.647 -7.959 0.254 1.00 0.00
> C
> ATOM 457 CZ TYR A 31 13.793 -6.599 0.442 1.00 0.00
> C
> ATOM 458 OH TYR A 31 14.410 -5.782 -0.637 1.00 0.00
> O
> ATOM 459 H TYR A 31 11.927 -7.642 5.953 1.00 0.00
> H
> ATOM 460 HA TYR A 31 10.904 -9.100 3.552 1.00 0.00
> H
> ATOM 461 HB2 TYR A 31 13.736 -8.902 4.581 1.00 0.00
> H
> ATOM 462 HB3 TYR A 31 13.180 -10.170 3.496 1.00 0.00
> H
> ATOM 463 HD1 TYR A 31 13.369 -6.456 3.777 1.00 0.00
> H
> ATOM 464 HD2 TYR A 31 13.282 -9.840 1.197 1.00 0.00
> H
> ATOM 465 HE1 TYR A 31 13.809 -4.992 1.851 1.00 0.00
> H
> ATOM 466 HE2 TYR A 31 13.723 -8.383 -0.735 1.00 0.00
> H
> ATOM 467 HH TYR A 31 13.836 -6.254 -1.449 1.00 0.00
> H
> ATOM 468 N LEU A 32 11.277 -11.390 4.697 1.00 0.00
> N
> ATOM 469 CA LEU A 32 10.987 -12.604 5.452 1.00 0.00
> C
> ATOM 470 C LEU A 32 11.680 -13.812 4.826 1.00 0.00
> C
> ATOM 471 O LEU A 32 11.489 -14.105 3.644 1.00 0.00
> O
> ATOM 472 CB LEU A 32 9.477 -12.843 5.513 1.00 0.00
> C
> ATOM 473 CG LEU A 32 8.647 -11.725 6.144 1.00 0.00
> C
> ATOM 474 CD1 LEU A 32 7.204 -11.800 5.670 1.00 0.00
> C
> ATOM 475 CD2 LEU A 32 8.717 -11.800 7.663 1.00 0.00
> C
> ATOM 476 H LEU A 32 11.465 -11.458 3.738 1.00 0.00
> H
> ATOM 477 HA LEU A 32 11.364 -12.470 6.454 1.00 0.00
> H
> ATOM 478 HB2 LEU A 32 9.125 -12.989 4.506 1.00 0.00
> H
> ATOM 479 HB3 LEU A 32 9.310 -13.744 6.860 1.00 0.00
> H
> ATOM 480 HG LEU A 32 9.500 -10.770 5.836 1.00 0.00
> H
> ATOM 481 HD11 LEU A 32 6.543 -11.609 6.500 1.00 0.00
> H
> ATOM 482 HD12 LEU A 32 7.700 -12.784 5.270 1.00 0.00
> H
> ATOM 483 HD13 LEU A 32 7.390 -11.590 4.901 1.00 0.00
> H
> ATOM 484 HD21 LEU A 32 8.590 -12.824 7.978 1.00 0.00
> H
> ATOM 485 HD22 LEU A 32 7.929 -11.194 8.880 1.00 0.00
> H
> ATOM 486 HD23 LEU A 32 9.675 -11.434 7.998 1.00 0.00
> H
> ATOM 487 N SER A 33 12.480 -14.508 5.625 1.00 0.00
> N
> ATOM 488 CA SER A 33 13.201 -15.683 5.147 1.00 0.00
> C
> ATOM 489 C SER A 33 12.234 -16.743 4.633 1.00 0.00
> C
> ATOM 490 O SER A 33 11.670 -16.798 5.260 1.00 0.00
> O
> ATOM 491 CB SER A 33 14.660 -16.265 6.268 1.00 0.00
> C
> ATOM 492 OG SER A 33 14.698 -15.237 7.110 1.00 0.00
> O
> ATOM 493 H SER A 33 12.592 -14.225 6.555 1.00 0.00
> H
> ATOM 494 HA SER A 33 13.842 -15.373 4.335 1.00 0.00
> H
> ATOM 495 HB2 SER A 33 13.447 -16.845 6.934 1.00 0.00
> H
> ATOM 496 HB3 SER A 33 14.826 -16.902 5.837 1.00 0.00
> H
> ATOM 497 HG SER A 33 14.940 -14.906 7.678 1.00 0.00
> H
> ATOM 498 N PRO A 34 12.727 -17.609 3.735 1.00 0.00
> N
> ATOM 499 CA PRO A 34 11.923 -18.685 3.148 1.00 0.00
> C
> ATOM 500 C PRO A 34 11.151 -19.472 4.201 1.00 0.00
> C
> ATOM 501 O PRO A 34 9.970 -19.781 4.380 1.00 0.00
> O
> ATOM 502 CB PRO A 34 12.965 -19.576 2.470 1.00 0.00
> C
> ATOM 503 CG PRO A 34 14.104 -18.666 2.167 1.00 0.00
> C
> ATOM 504 CD PRO A 34 14.107 -17.603 3.223 1.00 0.00
> C
> ATOM 505 HA PRO A 34 11.234 -18.305 2.407 1.00 0.00
> H
> ATOM 506 HB2 PRO A 34 13.260 -20.368 3.145 1.00 0.00
> H
> ATOM 507 HB3 PRO A 34 12.550 -20.000 1.569 1.00 0.00
> H
> ATOM 508 HG2 PRO A 34 15.320 -19.215 2.200 1.00 0.00
> H
> ATOM 509 HG3 PRO A 34 13.967 -18.215 1.195 1.00 0.00
> H
> ATOM 510 HD2 PRO A 34 14.809 -17.854 4.500 1.00 0.00
> H
> ATOM 511 HD3 PRO A 34 14.353 -16.645 2.788 1.00 0.00
> H
> ATOM 512 N PRO A 35 11.831 -19.806 5.308 1.00 0.00
> N
> ATOM 513 CA PRO A 35 11.227 -20.562 6.409 1.00 0.00
> C
> ATOM 514 C PRO A 35 9.875 -19.996 6.828 1.00 0.00
> C
> ATOM 515 O PRO A 35 8.909 -20.739 7.000 1.00 0.00
> O
> ATOM 516 CB PRO A 35 12.244 -20.409 7.543 1.00 0.00
> C
> ATOM 517 CG PRO A 35 13.545 -20.174 6.855 1.00 0.00
> C
> ATOM 518 CD PRO A 35 13.241 -19.472 5.569 1.00 0.00
> C
> ATOM 519 HA PRO A 35 11.118 -21.607 6.160 1.00 0.00
> H
> ATOM 520 HB2 PRO A 35 11.968 -19.569 8.166 1.00 0.00
> H
> ATOM 521 HB3 PRO A 35 12.267 -21.311 8.135 1.00 0.00
> H
> ATOM 522 HG2 PRO A 35 14.178 -19.554 7.471 1.00 0.00
> H
> ATOM 523 HG3 PRO A 35 14.270 -21.118 6.651 1.00 0.00
> H
> ATOM 524 HD2 PRO A 35 13.368 -18.406 5.687 1.00 0.00
> H
> ATOM 525 HD3 PRO A 35 13.878 -19.845 4.781 1.00 0.00
> H
> ATOM 526 N GLU A 36 9.812 -18.679 6.988 1.00 0.00
> N
> ATOM 527 CA GLU A 36 8.576 -18.140 7.387 1.00 0.00
> C
> ATOM 528 C GLU A 36 7.651 -17.823 6.189 1.00 0.00
> C
> ATOM 529 O GLU A 36 6.557 -18.385 6.142 1.00 0.00
> O
> ATOM 530 CB GLU A 36 8.883 -16.660 8.290 1.00 0.00
> C
> ATOM 531 CG GLU A 36 10.120 -16.711 9.460 1.00 0.00
> C
> ATOM 532 CD GLU A 36 9.519 -17.000 10.451 1.00 0.00
> C
> ATOM 533 OE1 GLU A 36 8.428 -16.510 10.810 1.00 0.00
> O
> ATOM 534 OE2 GLU A 36 10.223 -17.718 11.190 1.00 0.00
> O
> ATOM 535 H GLU A 36 10.618 -18.139 6.836 1.00 0.00
> H
> ATOM 536 HA GLU A 36 8.830 -18.644 8.112 1.00 0.00
> H
> ATOM 537 HB2 GLU A 36 9.156 -15.961 7.254 1.00 0.00
> H
> ATOM 538 HB3 GLU A 36 7.993 -16.302 8.527 1.00 0.00
> H
> ATOM 539 HG2 GLU A 36 10.704 -17.486 8.758 1.00 0.00
> H
> ATOM 540 HG3 GLU A 36 10.520 -15.757 9.500 1.00 0.00
> H
> ATOM 541 N ARG A 37 8.100 -17.270 5.223 1.00 0.00
> N
> ATOM 542 CA ARG A 37 7.311 -16.760 4.260 1.00 0.00
> C
> ATOM 543 C ARG A 37 6.501 -17.989 3.624 1.00 0.00
> C
> ATOM 544 O ARG A 37 5.342 -17.878 3.223 1.00 0.00
> O
> ATOM 545 CB ARG A 37 8.223 -16.336 2.874 1.00 0.00
> C
> ATOM 546 CG ARG A 37 7.497 -15.597 1.763 1.00 0.00
> C
> ATOM 547 CD ARG A 37 8.312 -15.581 0.479 1.00 0.00
> C
> ATOM 548 NE ARG A 37 8.576 -16.930 -0.170 1.00 0.00
> N
> ATOM 549 CZ ARG A 37 9.347 -17.187 -1.670 1.00 0.00
> C
> ATOM 550 NH1 ARG A 37 9.925 -16.194 -1.730 1.00 0.00
> N
> ATOM 551 NH2 ARG A 37 9.539 -18.440 -1.458 1.00 0.00
> N
> ATOM 552 H ARG A 37 8.979 -16.609 5.320 1.00 0.00
> H
> ATOM 553 HA ARG A 37 6.631 -15.953 4.250 1.00 0.00
> H
> ATOM 554 HB2 ARG A 37 8.996 -15.690 3.262 1.00 0.00
> H
> ATOM 555 HB3 ARG A 37 8.680 -17.218 2.450 1.00 0.00
> H
> ATOM 556 HG2 ARG A 37 6.554 -16.870 1.572 1.00 0.00
> H
> ATOM 557 HG3 ARG A 37 7.317 -14.579 2.780 1.00 0.00
> H
> ATOM 558 HD2 ARG A 37 7.763 -15.320 -0.273 1.00 0.00
> H
> ATOM 559 HD3 ARG A 37 9.251 -15.870 0.671 1.00 0.00
> H
> ATOM 560 HE ARG A 37 8.159 -17.677 0.457 1.00 0.00
> H
> ATOM 561 HH11 ARG A 37 9.782 -15.250 -1.437 1.00 0.00
> H
> ATOM 562 HH12 ARG A 37 10.506 -16.392 -2.519 1.00 0.00
> H
> ATOM 563 HH21 ARG A 37 9.105 -19.192 -0.962 1.00 0.00
> H
> ATOM 564 HH22 ARG A 37 10.119 -18.633 -2.250 1.00 0.00
> H
> ATOM 565 N LYS A 38 7.119 -19.160 3.731 1.00 0.00
> N
> ATOM 566 CA LYS A 38 6.458 -20.410 3.380 1.00 0.00
> C
> ATOM 567 C LYS A 38 5.197 -20.614 4.216 1.00 0.00
> C
> ATOM 568 O LYS A 38 4.104 -20.783 3.677 1.00 0.00
> O
> ATOM 569 CB LYS A 38 7.411 -21.590 3.579 1.00 0.00
> C
> ATOM 570 CG LYS A 38 8.461 -21.715 2.490 1.00 0.00
> C
> ATOM 571 CD LYS A 38 9.722 -22.388 3.600 1.00 0.00
> C
> ATOM 572 CE LYS A 38 9.562 -23.899 3.690 1.00 0.00
> C
> ATOM 573 NZ LYS A 38 10.842 -24.579 3.415 1.00 0.00
> N
> ATOM 574 H LYS A 38 8.450 -19.185 4.570 1.00 0.00
> H
> ATOM 575 HA LYS A 38 6.178 -20.357 2.338 1.00 0.00
> H
> ATOM 576 HB2 LYS A 38 7.916 -21.472 4.526 1.00 0.00
> H
> ATOM 577 HB3 LYS A 38 6.835 -22.505 3.601 1.00 0.00
> H
> ATOM 578 HG2 LYS A 38 8.600 -22.302 1.680 1.00 0.00
> H
> ATOM 579 HG3 LYS A 38 8.713 -20.726 2.131 1.00 0.00
> H
> ATOM 580 HD2 LYS A 38 10.543 -22.152 2.345 1.00 0.00
> H
> ATOM 581 HD3 LYS A 38 9.939 -22.140 3.997 1.00 0.00
> H
> ATOM 582 HE2 LYS A 38 8.824 -24.138 3.819 1.00 0.00
> H
> ATOM 583 HE3 LYS A 38 9.225 -24.253 2.107 1.00 0.00
> H
> ATOM 584 HZ1 LYS A 38 11.184 -24.246 4.340 1.00 0.00
> H
> ATOM 585 HZ2 LYS A 38 11.562 -24.371 2.696 1.00 0.00
> H
> ATOM 586 HZ3 LYS A 38 10.699 -25.607 3.460 1.00 0.00
> H
> ATOM 587 N ARG A 39 5.360 -20.594 5.534 1.00 0.00
> N
> ATOM 588 CA ARG A 39 4.236 -20.777 6.445 1.00 0.00
> C
> ATOM 589 C ARG A 39 3.203 -19.668 6.262 1.00 0.00
> C
> ATOM 590 O ARG A 39 2.160 -19.936 6.710 1.00 0.00
> O
> ATOM 591 CB ARG A 39 4.723 -20.798 7.894 1.00 0.00
> C
> ATOM 592 CG ARG A 39 5.231 -22.159 8.345 1.00 0.00
> C
> ATOM 593 CD ARG A 39 6.704 -22.341 8.120 1.00 0.00
> C
> ATOM 594 NE ARG A 39 7.107 -23.744 8.670 1.00 0.00
> N
> ATOM 595 CZ ARG A 39 8.373 -24.147 8.270 1.00 0.00
> C
> ATOM 596 NH1 ARG A 39 9.352 -23.259 7.936 1.00 0.00
> N
> ATOM 597 NH2 ARG A 39 8.659 -25.441 8.810 1.00 0.00
> N
> ATOM 598 H ARG A 39 6.256 -20.455 5.904 1.00 0.00
> H
> ATOM 599 HA ARG A 39 3.773 -21.725 6.216 1.00 0.00
> H
> ATOM 600 HB2 ARG A 39 5.527 -20.840 8.300 1.00 0.00
> H
> ATOM 601 HB3 ARG A 39 3.908 -20.510 8.541 1.00 0.00
> H
> ATOM 602 HG2 ARG A 39 5.103 -22.244 9.414 1.00 0.00
> H
> ATOM 603 HG3 ARG A 39 4.661 -22.929 7.848 1.00 0.00
> H
> ATOM 604 HD2 ARG A 39 6.885 -21.962 7.180 1.00 0.00
> H
> ATOM 605 HD3 ARG A 39 7.291 -21.780 8.723 1.00 0.00
> H
> ATOM 606 HE ARG A 39 6.399 -24.417 8.133 1.00 0.00
> H
> ATOM 607 HH11 ARG A 39 9.138 -22.283 7.897 1.00 0.00
> H
> ATOM 608 HH12 ARG A 39 10.303 -23.565 7.908 1.00 0.00
> H
> ATOM 609 HH21 ARG A 39 7.923 -26.114 8.149 1.00 0.00
> H
> ATOM 610 HH22 ARG A 39 9.612 -25.743 8.520 1.00 0.00
> H
> ATOM 611 N LEU A 40 3.661 -18.423 6.322 1.00 0.00
> N
> ATOM 612 CA LEU A 40 2.779 -17.274 6.164 1.00 0.00
> C
> ATOM 613 C LEU A 40 1.837 -17.469 4.980 1.00 0.00
> C
> ATOM 614 O LEU A 40 0.622 -17.322 5.111 1.00 0.00
> O
> ATOM 615 CB LEU A 40 3.599 -15.998 5.970 1.00 0.00
> C
> ATOM 616 CG LEU A 40 2.823 -14.682 6.440 1.00 0.00
> C
> ATOM 617 CD1 LEU A 40 2.332 -14.430 7.460 1.00 0.00
> C
> ATOM 618 CD2 LEU A 40 3.687 -13.524 5.564 1.00 0.00
> C
> ATOM 619 H LEU A 40 4.618 -18.272 6.478 1.00 0.00
> H
> ATOM 620 HA LEU A 40 2.190 -17.180 7.650 1.00 0.00
> H
> ATOM 621 HB2 LEU A 40 4.361 -15.975 6.736 1.00 0.00
> H
> ATOM 622 HB3 LEU A 40 4.700 -16.520 4.999 1.00 0.00
> H
> ATOM 623 HG LEU A 40 1.958 -14.746 5.397 1.00 0.00
> H
> ATOM 624 HD11 LEU A 40 3.158 -14.517 8.149 1.00 0.00
> H
> ATOM 625 HD12 LEU A 40 1.575 -15.157 7.713 1.00 0.00
> H
> ATOM 626 HD13 LEU A 40 1.912 -13.437 7.525 1.00 0.00
> H
> ATOM 627 HD21 LEU A 40 4.163 -13.550 6.412 1.00 0.00
> H
> ATOM 628 HD22 LEU A 40 3.690 -12.802 5.510 1.00 0.00
> H
> ATOM 629 HD23 LEU A 40 4.442 -13.897 4.888 1.00 0.00
> H
> --
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