USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 15:sc= -0.258 USER MOD Single : A 42 LYS NZ :NH3+ -110:sc= 0.0649 (180deg=-0.226) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= -0.109 (180deg=-0.114) USER MOD Single : A 74 ASN : amide:sc= -2.24! K(o=-2.2!,f=-0.82) USER MOD Single : A 79 GLN : amide:sc= -0.176 K(o=-0.18,f=-2!) USER MOD Single : A 83 HIS : no HD1:sc= -2.88! K(o=-2.9!,f=-0.93) USER MOD Single : A 84 HIS : no HE2:sc= -4.05! C(o=-4.1!,f=-3.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 98 GLN : amide:sc= -0.0743 X(o=-0.074,f=-0.082) USER MOD Single : A 99 MET CE :methyl 174:sc= -5.84! (180deg=-6.18!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -8.011 -7.034 -16.167 1.00 0.00 N ATOM 149 CA GLU A 13 -7.081 -7.297 -15.082 1.00 0.00 C ATOM 150 C GLU A 13 -6.325 -6.020 -14.710 1.00 0.00 C ATOM 151 O GLU A 13 -5.893 -5.273 -15.586 1.00 0.00 O ATOM 152 CB GLU A 13 -6.110 -8.421 -15.452 1.00 0.00 C ATOM 153 CG GLU A 13 -5.074 -7.938 -16.468 1.00 0.00 C ATOM 154 CD GLU A 13 -4.115 -9.067 -16.853 1.00 0.00 C ATOM 155 OE1 GLU A 13 -3.668 -9.772 -15.923 1.00 0.00 O ATOM 156 OE2 GLU A 13 -3.852 -9.198 -18.067 1.00 0.00 O ATOM 0 HA GLU A 13 -7.651 -7.625 -14.213 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.605 -8.780 -14.555 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.664 -9.264 -15.865 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.579 -7.566 -17.359 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.510 -7.104 -16.050 1.00 0.00 H new ATOM 163 N GLU A 14 -6.188 -5.809 -13.409 1.00 0.00 N ATOM 164 CA GLU A 14 -5.492 -4.635 -12.911 1.00 0.00 C ATOM 165 C GLU A 14 -4.275 -4.329 -13.785 1.00 0.00 C ATOM 166 O GLU A 14 -3.759 -5.211 -14.470 1.00 0.00 O ATOM 167 CB GLU A 14 -5.083 -4.821 -11.448 1.00 0.00 C ATOM 168 CG GLU A 14 -6.185 -4.334 -10.505 1.00 0.00 C ATOM 169 CD GLU A 14 -7.035 -5.504 -10.004 1.00 0.00 C ATOM 170 OE1 GLU A 14 -7.585 -6.217 -10.870 1.00 0.00 O ATOM 171 OE2 GLU A 14 -7.115 -5.658 -8.766 1.00 0.00 O ATOM 0 H GLU A 14 -6.547 -6.431 -12.685 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.173 -3.785 -12.960 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.874 -5.873 -11.256 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.162 -4.272 -11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.739 -3.814 -9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.819 -3.614 -11.022 1.00 0.00 H new ATOM 178 N GLU A 15 -3.851 -3.074 -13.735 1.00 0.00 N ATOM 179 CA GLU A 15 -2.704 -2.640 -14.514 1.00 0.00 C ATOM 180 C GLU A 15 -1.634 -2.045 -13.597 1.00 0.00 C ATOM 181 O GLU A 15 -1.904 -1.743 -12.436 1.00 0.00 O ATOM 182 CB GLU A 15 -3.121 -1.638 -15.592 1.00 0.00 C ATOM 183 CG GLU A 15 -4.053 -0.570 -15.017 1.00 0.00 C ATOM 184 CD GLU A 15 -4.399 0.482 -16.073 1.00 0.00 C ATOM 185 OE1 GLU A 15 -4.694 0.066 -17.214 1.00 0.00 O ATOM 186 OE2 GLU A 15 -4.360 1.679 -15.714 1.00 0.00 O ATOM 0 H GLU A 15 -4.282 -2.344 -13.167 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.281 -3.510 -15.017 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.235 -1.163 -16.015 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.621 -2.162 -16.407 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.967 -1.038 -14.652 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.578 -0.089 -14.162 1.00 0.00 H new ATOM 193 N GLU A 16 -0.441 -1.894 -14.153 1.00 0.00 N ATOM 194 CA GLU A 16 0.672 -1.340 -13.400 1.00 0.00 C ATOM 195 C GLU A 16 0.631 0.189 -13.441 1.00 0.00 C ATOM 196 O GLU A 16 0.343 0.778 -14.482 1.00 0.00 O ATOM 197 CB GLU A 16 2.008 -1.867 -13.927 1.00 0.00 C ATOM 198 CG GLU A 16 2.332 -3.236 -13.326 1.00 0.00 C ATOM 199 CD GLU A 16 2.838 -4.201 -14.401 1.00 0.00 C ATOM 200 OE1 GLU A 16 3.881 -3.876 -15.009 1.00 0.00 O ATOM 201 OE2 GLU A 16 2.171 -5.241 -14.590 1.00 0.00 O ATOM 0 H GLU A 16 -0.220 -2.146 -15.117 1.00 0.00 H new ATOM 0 HA GLU A 16 0.578 -1.659 -12.362 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.970 -1.943 -15.014 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.803 -1.162 -13.684 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.086 -3.126 -12.547 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.442 -3.649 -12.852 1.00 0.00 H new ATOM 208 N LEU A 17 0.924 0.788 -12.296 1.00 0.00 N ATOM 209 CA LEU A 17 0.925 2.237 -12.188 1.00 0.00 C ATOM 210 C LEU A 17 2.152 2.684 -11.390 1.00 0.00 C ATOM 211 O LEU A 17 2.774 1.879 -10.699 1.00 0.00 O ATOM 212 CB LEU A 17 -0.401 2.732 -11.607 1.00 0.00 C ATOM 213 CG LEU A 17 -1.621 1.847 -11.871 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.704 2.078 -10.816 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.150 2.053 -13.291 1.00 0.00 C ATOM 0 H LEU A 17 1.162 0.296 -11.435 1.00 0.00 H new ATOM 0 HA LEU A 17 1.003 2.693 -13.175 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.284 2.843 -10.529 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.603 3.725 -12.009 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.311 0.805 -11.791 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.560 1.437 -11.027 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.307 1.840 -9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.018 3.122 -10.839 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.017 1.412 -13.453 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.439 3.095 -13.424 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.371 1.798 -14.010 1.00 0.00 H new ATOM 227 N THR A 18 2.462 3.966 -11.512 1.00 0.00 N ATOM 228 CA THR A 18 3.603 4.530 -10.811 1.00 0.00 C ATOM 229 C THR A 18 3.226 5.864 -10.164 1.00 0.00 C ATOM 230 O THR A 18 2.971 6.846 -10.860 1.00 0.00 O ATOM 231 CB THR A 18 4.761 4.643 -11.805 1.00 0.00 C ATOM 232 OG1 THR A 18 4.697 3.430 -12.551 1.00 0.00 O ATOM 233 CG2 THR A 18 6.128 4.588 -11.120 1.00 0.00 C ATOM 0 H THR A 18 1.943 4.631 -12.086 1.00 0.00 H new ATOM 0 HA THR A 18 3.921 3.885 -9.991 1.00 0.00 H new ATOM 0 HB THR A 18 4.672 5.576 -12.362 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.412 3.420 -13.221 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.914 4.672 -11.870 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.213 5.411 -10.411 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.232 3.641 -10.590 1.00 0.00 H new ATOM 241 N LEU A 19 3.202 5.857 -8.839 1.00 0.00 N ATOM 242 CA LEU A 19 2.859 7.054 -8.090 1.00 0.00 C ATOM 243 C LEU A 19 4.142 7.718 -7.585 1.00 0.00 C ATOM 244 O LEU A 19 5.190 7.079 -7.514 1.00 0.00 O ATOM 245 CB LEU A 19 1.859 6.725 -6.981 1.00 0.00 C ATOM 246 CG LEU A 19 0.990 7.886 -6.494 1.00 0.00 C ATOM 247 CD1 LEU A 19 -0.101 8.219 -7.513 1.00 0.00 C ATOM 248 CD2 LEU A 19 0.411 7.595 -5.108 1.00 0.00 C ATOM 0 H LEU A 19 3.415 5.041 -8.265 1.00 0.00 H new ATOM 0 HA LEU A 19 2.357 7.776 -8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.203 5.930 -7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.410 6.327 -6.129 1.00 0.00 H new ATOM 0 HG LEU A 19 1.622 8.769 -6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.704 9.048 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.359 8.501 -8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.737 7.346 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.202 8.436 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.202 6.695 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.224 7.446 -4.398 1.00 0.00 H new ATOM 260 N THR A 20 4.016 8.993 -7.247 1.00 0.00 N ATOM 261 CA THR A 20 5.152 9.751 -6.750 1.00 0.00 C ATOM 262 C THR A 20 4.750 10.573 -5.524 1.00 0.00 C ATOM 263 O THR A 20 3.846 11.404 -5.599 1.00 0.00 O ATOM 264 CB THR A 20 5.693 10.601 -7.901 1.00 0.00 C ATOM 265 OG1 THR A 20 5.771 9.693 -8.997 1.00 0.00 O ATOM 266 CG2 THR A 20 7.142 11.038 -7.676 1.00 0.00 C ATOM 0 H THR A 20 3.145 9.520 -7.307 1.00 0.00 H new ATOM 0 HA THR A 20 5.950 9.091 -6.411 1.00 0.00 H new ATOM 0 HB THR A 20 5.064 11.482 -8.028 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.112 10.162 -9.787 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.477 11.638 -8.522 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.206 11.630 -6.763 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.777 10.157 -7.582 1.00 0.00 H new ATOM 274 N ILE A 21 5.441 10.313 -4.424 1.00 0.00 N ATOM 275 CA ILE A 21 5.166 11.018 -3.183 1.00 0.00 C ATOM 276 C ILE A 21 6.362 11.906 -2.832 1.00 0.00 C ATOM 277 O ILE A 21 7.493 11.611 -3.216 1.00 0.00 O ATOM 278 CB ILE A 21 4.787 10.031 -2.078 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.630 9.132 -2.518 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.479 10.764 -0.771 1.00 0.00 C ATOM 281 CD1 ILE A 21 3.788 7.719 -1.954 1.00 0.00 C ATOM 0 H ILE A 21 6.191 9.624 -4.366 1.00 0.00 H new ATOM 0 HA ILE A 21 4.304 11.674 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 21 5.643 9.383 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.685 9.558 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.591 9.091 -3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.212 10.039 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.358 11.325 -0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.647 11.451 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.952 7.101 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.722 7.286 -2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.802 7.761 -0.865 1.00 0.00 H new ATOM 293 N LEU A 22 6.071 12.975 -2.106 1.00 0.00 N ATOM 294 CA LEU A 22 7.108 13.908 -1.698 1.00 0.00 C ATOM 295 C LEU A 22 7.300 13.820 -0.183 1.00 0.00 C ATOM 296 O LEU A 22 6.329 13.703 0.564 1.00 0.00 O ATOM 297 CB LEU A 22 6.787 15.318 -2.197 1.00 0.00 C ATOM 298 CG LEU A 22 7.529 15.770 -3.456 1.00 0.00 C ATOM 299 CD1 LEU A 22 7.344 17.270 -3.693 1.00 0.00 C ATOM 300 CD2 LEU A 22 9.006 15.378 -3.392 1.00 0.00 C ATOM 0 H LEU A 22 5.132 13.216 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 22 8.061 13.643 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.716 15.379 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.007 16.024 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 22 7.095 15.253 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.882 17.565 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.284 17.491 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.735 17.824 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.510 15.711 -4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.470 15.848 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.092 14.295 -3.306 1.00 0.00 H new ATOM 312 N ARG A 23 8.558 13.880 0.227 1.00 0.00 N ATOM 313 CA ARG A 23 8.890 13.809 1.640 1.00 0.00 C ATOM 314 C ARG A 23 8.652 15.163 2.310 1.00 0.00 C ATOM 315 O ARG A 23 8.793 16.207 1.675 1.00 0.00 O ATOM 316 CB ARG A 23 10.349 13.396 1.843 1.00 0.00 C ATOM 317 CG ARG A 23 10.646 13.143 3.323 1.00 0.00 C ATOM 318 CD ARG A 23 12.067 12.606 3.512 1.00 0.00 C ATOM 319 NE ARG A 23 12.440 12.659 4.943 1.00 0.00 N ATOM 320 CZ ARG A 23 13.636 12.288 5.422 1.00 0.00 C ATOM 321 NH1 ARG A 23 14.580 11.835 4.587 1.00 0.00 N ATOM 322 NH2 ARG A 23 13.887 12.370 6.736 1.00 0.00 N ATOM 0 H ARG A 23 9.361 13.977 -0.395 1.00 0.00 H new ATOM 0 HA ARG A 23 8.245 13.057 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.559 12.495 1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.008 14.177 1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.525 14.069 3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.927 12.429 3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.128 11.580 3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.769 13.195 2.922 1.00 0.00 H new ATOM 0 HE ARG A 23 11.744 12.999 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.389 11.772 3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.490 11.553 4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.168 12.715 7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.797 12.088 7.100 1.00 0.00 H new ATOM 381 N LEU A 28 6.539 9.782 4.080 1.00 0.00 N ATOM 382 CA LEU A 28 5.299 9.254 3.536 1.00 0.00 C ATOM 383 C LEU A 28 4.236 9.226 4.636 1.00 0.00 C ATOM 384 O LEU A 28 4.530 9.513 5.796 1.00 0.00 O ATOM 385 CB LEU A 28 5.538 7.895 2.877 1.00 0.00 C ATOM 386 CG LEU A 28 6.954 7.643 2.353 1.00 0.00 C ATOM 387 CD1 LEU A 28 7.546 8.913 1.740 1.00 0.00 C ATOM 388 CD2 LEU A 28 7.850 7.065 3.451 1.00 0.00 C ATOM 0 HA LEU A 28 4.923 9.903 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.295 7.116 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.840 7.789 2.046 1.00 0.00 H new ATOM 0 HG LEU A 28 6.897 6.899 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.552 8.706 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.920 9.242 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.588 9.697 2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.850 6.895 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.905 7.767 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.434 6.120 3.801 1.00 0.00 H new ATOM 400 N GLY A 29 3.023 8.878 4.233 1.00 0.00 N ATOM 401 CA GLY A 29 1.915 8.808 5.171 1.00 0.00 C ATOM 402 C GLY A 29 0.859 7.808 4.697 1.00 0.00 C ATOM 403 O GLY A 29 -0.247 8.197 4.322 1.00 0.00 O ATOM 0 H GLY A 29 2.783 8.642 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.284 8.515 6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.464 9.794 5.281 1.00 0.00 H new ATOM 407 N ILE A 30 1.236 6.538 4.730 1.00 0.00 N ATOM 408 CA ILE A 30 0.335 5.479 4.309 1.00 0.00 C ATOM 409 C ILE A 30 0.586 4.233 5.161 1.00 0.00 C ATOM 410 O ILE A 30 1.569 4.168 5.897 1.00 0.00 O ATOM 411 CB ILE A 30 0.464 5.231 2.805 1.00 0.00 C ATOM 412 CG1 ILE A 30 1.934 5.183 2.381 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.328 6.270 2.008 1.00 0.00 C ATOM 414 CD1 ILE A 30 2.084 4.566 0.990 1.00 0.00 C ATOM 0 H ILE A 30 2.153 6.219 5.042 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.702 5.774 4.472 1.00 0.00 H new ATOM 0 HB ILE A 30 0.032 4.255 2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.350 6.191 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.506 4.601 3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.219 6.071 0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.381 6.213 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.052 7.267 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.138 4.544 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.690 3.550 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.531 5.164 0.265 1.00 0.00 H new ATOM 426 N SER A 31 -0.319 3.274 5.032 1.00 0.00 N ATOM 427 CA SER A 31 -0.208 2.034 5.781 1.00 0.00 C ATOM 428 C SER A 31 -0.214 0.842 4.822 1.00 0.00 C ATOM 429 O SER A 31 -0.828 0.899 3.758 1.00 0.00 O ATOM 430 CB SER A 31 -1.342 1.902 6.799 1.00 0.00 C ATOM 431 OG SER A 31 -1.162 2.769 7.916 1.00 0.00 O ATOM 0 H SER A 31 -1.133 3.331 4.420 1.00 0.00 H new ATOM 0 HA SER A 31 0.735 2.048 6.328 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.292 2.128 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.399 0.870 7.146 1.00 0.00 H new ATOM 0 HG SER A 31 -1.908 2.656 8.542 1.00 0.00 H new ATOM 437 N ILE A 32 0.478 -0.211 5.234 1.00 0.00 N ATOM 438 CA ILE A 32 0.560 -1.415 4.425 1.00 0.00 C ATOM 439 C ILE A 32 0.033 -2.603 5.232 1.00 0.00 C ATOM 440 O ILE A 32 -0.144 -2.505 6.445 1.00 0.00 O ATOM 441 CB ILE A 32 1.984 -1.612 3.901 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.953 -1.914 5.046 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.434 -0.407 3.071 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.281 -2.457 4.512 1.00 0.00 C ATOM 0 H ILE A 32 0.987 -0.255 6.117 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.071 -1.324 3.541 1.00 0.00 H new ATOM 0 HB ILE A 32 1.988 -2.478 3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.133 -1.007 5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.505 -2.641 5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.449 -0.572 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.763 -0.280 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.410 0.490 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.952 -2.663 5.346 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.101 -3.377 3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.738 -1.718 3.854 1.00 0.00 H new ATOM 456 N ALA A 33 -0.204 -3.699 4.525 1.00 0.00 N ATOM 457 CA ALA A 33 -0.708 -4.905 5.160 1.00 0.00 C ATOM 458 C ALA A 33 -0.549 -6.086 4.201 1.00 0.00 C ATOM 459 O ALA A 33 -0.990 -6.023 3.054 1.00 0.00 O ATOM 460 CB ALA A 33 -2.163 -4.689 5.583 1.00 0.00 C ATOM 0 H ALA A 33 -0.056 -3.777 3.519 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.137 -5.132 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.542 -5.593 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.218 -3.858 6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.767 -4.461 4.705 1.00 0.00 H new ATOM 466 N GLY A 34 0.083 -7.136 4.705 1.00 0.00 N ATOM 467 CA GLY A 34 0.306 -8.329 3.907 1.00 0.00 C ATOM 468 C GLY A 34 1.786 -8.718 3.903 1.00 0.00 C ATOM 469 O GLY A 34 2.423 -8.760 4.955 1.00 0.00 O ATOM 0 H GLY A 34 0.448 -7.185 5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.289 -9.152 4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.031 -8.155 2.885 1.00 0.00 H new ATOM 473 N GLY A 35 2.290 -8.991 2.709 1.00 0.00 N ATOM 474 CA GLY A 35 3.683 -9.375 2.554 1.00 0.00 C ATOM 475 C GLY A 35 3.845 -10.894 2.633 1.00 0.00 C ATOM 476 O GLY A 35 3.063 -11.572 3.298 1.00 0.00 O ATOM 0 H GLY A 35 1.759 -8.954 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.059 -9.015 1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.283 -8.901 3.331 1.00 0.00 H new ATOM 480 N LYS A 36 4.865 -11.385 1.944 1.00 0.00 N ATOM 481 CA LYS A 36 5.140 -12.811 1.927 1.00 0.00 C ATOM 482 C LYS A 36 5.023 -13.366 3.348 1.00 0.00 C ATOM 483 O LYS A 36 5.307 -12.664 4.317 1.00 0.00 O ATOM 484 CB LYS A 36 6.492 -13.089 1.268 1.00 0.00 C ATOM 485 CG LYS A 36 6.727 -14.592 1.110 1.00 0.00 C ATOM 486 CD LYS A 36 8.135 -14.875 0.582 1.00 0.00 C ATOM 487 CE LYS A 36 9.198 -14.437 1.591 1.00 0.00 C ATOM 488 NZ LYS A 36 10.077 -15.574 1.944 1.00 0.00 N ATOM 0 H LYS A 36 5.511 -10.820 1.393 1.00 0.00 H new ATOM 0 HA LYS A 36 4.402 -13.333 1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.530 -12.607 0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.290 -12.654 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.589 -15.088 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.988 -15.009 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.242 -15.940 0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.286 -14.350 -0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.793 -13.626 1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.717 -14.049 2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.793 -15.260 2.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.507 -16.336 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.550 -15.926 1.087 1.00 0.00 H new ATOM 502 N GLY A 37 4.604 -14.620 3.427 1.00 0.00 N ATOM 503 CA GLY A 37 4.446 -15.277 4.714 1.00 0.00 C ATOM 504 C GLY A 37 3.609 -14.421 5.667 1.00 0.00 C ATOM 505 O GLY A 37 4.052 -14.097 6.768 1.00 0.00 O ATOM 0 H GLY A 37 4.369 -15.199 2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.968 -16.247 4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.426 -15.465 5.153 1.00 0.00 H new ATOM 509 N SER A 38 2.413 -14.079 5.209 1.00 0.00 N ATOM 510 CA SER A 38 1.511 -13.267 6.008 1.00 0.00 C ATOM 511 C SER A 38 0.097 -13.329 5.424 1.00 0.00 C ATOM 512 O SER A 38 -0.099 -13.824 4.315 1.00 0.00 O ATOM 513 CB SER A 38 1.992 -11.817 6.080 1.00 0.00 C ATOM 514 OG SER A 38 2.023 -11.330 7.419 1.00 0.00 O ATOM 0 H SER A 38 2.048 -14.349 4.296 1.00 0.00 H new ATOM 0 HA SER A 38 1.498 -13.667 7.022 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.989 -11.744 5.645 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.335 -11.187 5.480 1.00 0.00 H new ATOM 0 HG SER A 38 2.337 -10.402 7.422 1.00 0.00 H new ATOM 520 N THR A 39 -0.850 -12.820 6.198 1.00 0.00 N ATOM 521 CA THR A 39 -2.240 -12.811 5.772 1.00 0.00 C ATOM 522 C THR A 39 -2.459 -11.752 4.690 1.00 0.00 C ATOM 523 O THR A 39 -1.855 -10.681 4.733 1.00 0.00 O ATOM 524 CB THR A 39 -3.113 -12.604 7.011 1.00 0.00 C ATOM 525 OG1 THR A 39 -3.054 -13.856 7.690 1.00 0.00 O ATOM 526 CG2 THR A 39 -4.593 -12.438 6.663 1.00 0.00 C ATOM 0 H THR A 39 -0.683 -12.411 7.117 1.00 0.00 H new ATOM 0 HA THR A 39 -2.520 -13.760 5.315 1.00 0.00 H new ATOM 0 HB THR A 39 -2.768 -11.725 7.556 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.592 -13.810 8.508 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.168 -12.294 7.578 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.719 -11.571 6.015 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.948 -13.331 6.148 1.00 0.00 H new ATOM 534 N PRO A 40 -3.348 -12.096 3.720 1.00 0.00 N ATOM 535 CA PRO A 40 -3.654 -11.187 2.629 1.00 0.00 C ATOM 536 C PRO A 40 -4.560 -10.048 3.102 1.00 0.00 C ATOM 537 O PRO A 40 -5.306 -10.204 4.067 1.00 0.00 O ATOM 538 CB PRO A 40 -4.301 -12.056 1.563 1.00 0.00 C ATOM 539 CG PRO A 40 -4.754 -13.320 2.274 1.00 0.00 C ATOM 540 CD PRO A 40 -4.081 -13.355 3.637 1.00 0.00 C ATOM 0 HA PRO A 40 -2.768 -10.689 2.235 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.145 -11.544 1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.594 -12.288 0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.838 -13.329 2.383 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.485 -14.202 1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.814 -13.440 4.439 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.411 -14.210 3.726 1.00 0.00 H new ATOM 548 N TYR A 41 -4.463 -8.928 2.401 1.00 0.00 N ATOM 549 CA TYR A 41 -5.264 -7.763 2.737 1.00 0.00 C ATOM 550 C TYR A 41 -6.612 -7.798 2.014 1.00 0.00 C ATOM 551 O TYR A 41 -7.614 -7.313 2.539 1.00 0.00 O ATOM 552 CB TYR A 41 -4.469 -6.550 2.251 1.00 0.00 C ATOM 553 CG TYR A 41 -5.196 -5.216 2.434 1.00 0.00 C ATOM 554 CD1 TYR A 41 -5.202 -4.597 3.667 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.845 -4.632 1.365 1.00 0.00 C ATOM 556 CE1 TYR A 41 -5.886 -3.341 3.839 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.529 -3.376 1.538 1.00 0.00 C ATOM 558 CZ TYR A 41 -6.515 -2.793 2.766 1.00 0.00 C ATOM 559 OH TYR A 41 -7.161 -1.607 2.929 1.00 0.00 O ATOM 0 H TYR A 41 -3.842 -8.802 1.602 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.463 -7.730 3.808 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.520 -6.512 2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.234 -6.682 1.195 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.694 -5.054 4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.840 -5.116 0.400 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.899 -2.846 4.799 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.041 -2.908 0.711 1.00 0.00 H new ATOM 0 HH TYR A 41 -6.877 -1.193 3.770 1.00 0.00 H new ATOM 569 N LYS A 42 -6.594 -8.375 0.822 1.00 0.00 N ATOM 570 CA LYS A 42 -7.802 -8.478 0.022 1.00 0.00 C ATOM 571 C LYS A 42 -8.053 -9.947 -0.327 1.00 0.00 C ATOM 572 O LYS A 42 -8.890 -10.602 0.292 1.00 0.00 O ATOM 573 CB LYS A 42 -7.716 -7.562 -1.200 1.00 0.00 C ATOM 574 CG LYS A 42 -8.111 -6.128 -0.839 1.00 0.00 C ATOM 575 CD LYS A 42 -7.542 -5.131 -1.851 1.00 0.00 C ATOM 576 CE LYS A 42 -8.553 -4.841 -2.962 1.00 0.00 C ATOM 577 NZ LYS A 42 -8.116 -3.681 -3.770 1.00 0.00 N ATOM 0 H LYS A 42 -5.761 -8.776 0.391 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.666 -8.132 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.701 -7.574 -1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.371 -7.936 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.197 -6.043 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.746 -5.887 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.278 -4.203 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.625 -5.530 -2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.661 -5.717 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.532 -4.641 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.745 -2.873 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.141 -3.426 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.154 -3.927 -4.780 1.00 0.00 H new ATOM 591 N GLY A 43 -7.312 -10.421 -1.318 1.00 0.00 N ATOM 592 CA GLY A 43 -7.443 -11.800 -1.758 1.00 0.00 C ATOM 593 C GLY A 43 -6.130 -12.562 -1.571 1.00 0.00 C ATOM 594 O GLY A 43 -5.149 -12.005 -1.081 1.00 0.00 O ATOM 0 H GLY A 43 -6.619 -9.875 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.236 -12.291 -1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.735 -11.824 -2.808 1.00 0.00 H new ATOM 598 N ASP A 44 -6.154 -13.825 -1.971 1.00 0.00 N ATOM 599 CA ASP A 44 -4.978 -14.670 -1.853 1.00 0.00 C ATOM 600 C ASP A 44 -3.870 -14.121 -2.755 1.00 0.00 C ATOM 601 O ASP A 44 -3.630 -14.648 -3.840 1.00 0.00 O ATOM 602 CB ASP A 44 -5.282 -16.102 -2.296 1.00 0.00 C ATOM 603 CG ASP A 44 -6.478 -16.754 -1.600 1.00 0.00 C ATOM 604 OD1 ASP A 44 -6.749 -16.357 -0.446 1.00 0.00 O ATOM 605 OD2 ASP A 44 -7.094 -17.636 -2.237 1.00 0.00 O ATOM 0 H ASP A 44 -6.970 -14.284 -2.377 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.669 -14.674 -0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.461 -16.103 -3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.399 -16.716 -2.119 1.00 0.00 H new ATOM 610 N ASP A 45 -3.223 -13.071 -2.271 1.00 0.00 N ATOM 611 CA ASP A 45 -2.146 -12.445 -3.019 1.00 0.00 C ATOM 612 C ASP A 45 -0.993 -12.119 -2.069 1.00 0.00 C ATOM 613 O ASP A 45 -1.148 -11.314 -1.152 1.00 0.00 O ATOM 614 CB ASP A 45 -2.611 -11.138 -3.665 1.00 0.00 C ATOM 615 CG ASP A 45 -3.296 -11.296 -5.024 1.00 0.00 C ATOM 616 OD1 ASP A 45 -2.980 -12.294 -5.706 1.00 0.00 O ATOM 617 OD2 ASP A 45 -4.119 -10.414 -5.350 1.00 0.00 O ATOM 0 H ASP A 45 -3.424 -12.638 -1.370 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.829 -13.139 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.300 -10.639 -2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.749 -10.482 -3.784 1.00 0.00 H new ATOM 622 N GLU A 46 0.138 -12.762 -2.320 1.00 0.00 N ATOM 623 CA GLU A 46 1.318 -12.550 -1.497 1.00 0.00 C ATOM 624 C GLU A 46 2.008 -11.241 -1.886 1.00 0.00 C ATOM 625 O GLU A 46 3.199 -11.231 -2.195 1.00 0.00 O ATOM 626 CB GLU A 46 2.282 -13.733 -1.607 1.00 0.00 C ATOM 627 CG GLU A 46 2.792 -13.893 -3.041 1.00 0.00 C ATOM 628 CD GLU A 46 2.208 -15.148 -3.693 1.00 0.00 C ATOM 629 OE1 GLU A 46 2.098 -16.163 -2.973 1.00 0.00 O ATOM 630 OE2 GLU A 46 1.883 -15.062 -4.898 1.00 0.00 O ATOM 0 H GLU A 46 0.263 -13.430 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 46 1.003 -12.476 -0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.125 -13.584 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.779 -14.647 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.522 -13.015 -3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.880 -13.952 -3.039 1.00 0.00 H new ATOM 637 N GLY A 47 1.231 -10.169 -1.859 1.00 0.00 N ATOM 638 CA GLY A 47 1.753 -8.857 -2.205 1.00 0.00 C ATOM 639 C GLY A 47 1.446 -7.838 -1.107 1.00 0.00 C ATOM 640 O GLY A 47 0.768 -8.156 -0.131 1.00 0.00 O ATOM 0 H GLY A 47 0.244 -10.181 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.830 -8.919 -2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.316 -8.525 -3.147 1.00 0.00 H new ATOM 644 N ILE A 48 1.961 -6.633 -1.302 1.00 0.00 N ATOM 645 CA ILE A 48 1.751 -5.564 -0.340 1.00 0.00 C ATOM 646 C ILE A 48 0.633 -4.647 -0.839 1.00 0.00 C ATOM 647 O ILE A 48 0.700 -4.130 -1.953 1.00 0.00 O ATOM 648 CB ILE A 48 3.065 -4.834 -0.054 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.014 -5.713 0.763 1.00 0.00 C ATOM 650 CG2 ILE A 48 2.807 -3.486 0.622 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.513 -5.875 2.199 1.00 0.00 C ATOM 0 H ILE A 48 2.523 -6.373 -2.112 1.00 0.00 H new ATOM 0 HA ILE A 48 1.426 -5.971 0.617 1.00 0.00 H new ATOM 0 HB ILE A 48 3.556 -4.628 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.103 -6.692 0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.010 -5.270 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.757 -2.988 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.196 -2.863 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.284 -3.646 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.206 -6.504 2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.448 -4.896 2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.527 -6.340 2.190 1.00 0.00 H new ATOM 663 N PHE A 49 -0.369 -4.471 0.010 1.00 0.00 N ATOM 664 CA PHE A 49 -1.499 -3.625 -0.331 1.00 0.00 C ATOM 665 C PHE A 49 -1.646 -2.477 0.669 1.00 0.00 C ATOM 666 O PHE A 49 -1.261 -2.607 1.830 1.00 0.00 O ATOM 667 CB PHE A 49 -2.751 -4.503 -0.268 1.00 0.00 C ATOM 668 CG PHE A 49 -2.887 -5.477 -1.441 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.910 -6.392 -1.682 1.00 0.00 C ATOM 670 CD2 PHE A 49 -3.985 -5.427 -2.242 1.00 0.00 C ATOM 671 CE1 PHE A 49 -2.037 -7.296 -2.770 1.00 0.00 C ATOM 672 CE2 PHE A 49 -4.111 -6.331 -3.330 1.00 0.00 C ATOM 673 CZ PHE A 49 -3.135 -7.246 -3.571 1.00 0.00 C ATOM 0 H PHE A 49 -0.421 -4.900 0.934 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.354 -3.193 -1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.738 -5.070 0.663 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.631 -3.861 -0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.038 -6.431 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.761 -4.700 -2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.262 -8.023 -2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.983 -6.291 -3.966 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.231 -7.933 -4.399 1.00 0.00 H new ATOM 683 N ILE A 50 -2.204 -1.378 0.182 1.00 0.00 N ATOM 684 CA ILE A 50 -2.406 -0.207 1.019 1.00 0.00 C ATOM 685 C ILE A 50 -3.474 -0.516 2.071 1.00 0.00 C ATOM 686 O ILE A 50 -4.587 -0.915 1.732 1.00 0.00 O ATOM 687 CB ILE A 50 -2.725 1.017 0.159 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.631 1.256 -0.883 1.00 0.00 C ATOM 689 CG2 ILE A 50 -2.965 2.252 1.031 1.00 0.00 C ATOM 690 CD1 ILE A 50 -0.246 1.257 -0.234 1.00 0.00 C ATOM 0 H ILE A 50 -2.522 -1.274 -0.781 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.491 0.040 1.557 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.649 0.821 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.677 0.481 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.803 2.209 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.190 3.108 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.805 2.067 1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.071 2.461 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.513 1.429 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.195 2.049 0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.068 0.294 0.245 1.00 0.00 H new ATOM 702 N SER A 51 -3.097 -0.319 3.326 1.00 0.00 N ATOM 703 CA SER A 51 -4.008 -0.571 4.429 1.00 0.00 C ATOM 704 C SER A 51 -4.757 0.712 4.792 1.00 0.00 C ATOM 705 O SER A 51 -5.937 0.669 5.138 1.00 0.00 O ATOM 706 CB SER A 51 -3.260 -1.113 5.648 1.00 0.00 C ATOM 707 OG SER A 51 -4.115 -1.256 6.779 1.00 0.00 O ATOM 0 H SER A 51 -2.173 0.012 3.603 1.00 0.00 H new ATOM 0 HA SER A 51 -4.727 -1.327 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.819 -2.079 5.403 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.438 -0.441 5.897 1.00 0.00 H new ATOM 0 HG SER A 51 -3.600 -1.606 7.536 1.00 0.00 H new ATOM 713 N ARG A 52 -4.041 1.823 4.703 1.00 0.00 N ATOM 714 CA ARG A 52 -4.624 3.116 5.018 1.00 0.00 C ATOM 715 C ARG A 52 -3.883 4.228 4.272 1.00 0.00 C ATOM 716 O ARG A 52 -2.703 4.088 3.956 1.00 0.00 O ATOM 717 CB ARG A 52 -4.567 3.394 6.521 1.00 0.00 C ATOM 718 CG ARG A 52 -5.699 4.330 6.949 1.00 0.00 C ATOM 719 CD ARG A 52 -7.059 3.642 6.816 1.00 0.00 C ATOM 720 NE ARG A 52 -8.100 4.440 7.502 1.00 0.00 N ATOM 721 CZ ARG A 52 -9.411 4.351 7.239 1.00 0.00 C ATOM 722 NH1 ARG A 52 -9.850 3.497 6.303 1.00 0.00 N ATOM 723 NH2 ARG A 52 -10.283 5.114 7.911 1.00 0.00 N ATOM 0 H ARG A 52 -3.062 1.855 4.417 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.667 3.095 4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.639 2.456 7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.606 3.840 6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.546 4.644 7.982 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.682 5.231 6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.315 3.524 5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.013 2.642 7.247 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.801 5.099 8.220 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.186 2.915 5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.848 3.429 6.102 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.949 5.763 8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.281 5.046 7.710 1.00 0.00 H new ATOM 737 N VAL A 53 -4.607 5.307 4.014 1.00 0.00 N ATOM 738 CA VAL A 53 -4.033 6.443 3.311 1.00 0.00 C ATOM 739 C VAL A 53 -4.489 7.738 3.986 1.00 0.00 C ATOM 740 O VAL A 53 -5.570 8.248 3.692 1.00 0.00 O ATOM 741 CB VAL A 53 -4.400 6.380 1.827 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.349 7.770 1.191 1.00 0.00 C ATOM 743 CG2 VAL A 53 -3.494 5.400 1.079 1.00 0.00 C ATOM 0 H VAL A 53 -5.586 5.419 4.279 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.945 6.415 3.364 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.424 6.014 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.614 7.697 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.055 8.428 1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.342 8.176 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.776 5.374 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.457 5.722 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.603 4.404 1.508 1.00 0.00 H new ATOM 753 N SER A 54 -3.643 8.233 4.877 1.00 0.00 N ATOM 754 CA SER A 54 -3.946 9.459 5.596 1.00 0.00 C ATOM 755 C SER A 54 -4.344 10.559 4.609 1.00 0.00 C ATOM 756 O SER A 54 -3.503 11.072 3.873 1.00 0.00 O ATOM 757 CB SER A 54 -2.754 9.911 6.441 1.00 0.00 C ATOM 758 OG SER A 54 -2.531 9.049 7.554 1.00 0.00 O ATOM 0 H SER A 54 -2.748 7.808 5.118 1.00 0.00 H new ATOM 0 HA SER A 54 -4.781 9.263 6.269 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.859 9.939 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.927 10.926 6.798 1.00 0.00 H new ATOM 0 HG SER A 54 -1.761 9.370 8.067 1.00 0.00 H new ATOM 764 N GLU A 55 -5.627 10.889 4.627 1.00 0.00 N ATOM 765 CA GLU A 55 -6.147 11.919 3.744 1.00 0.00 C ATOM 766 C GLU A 55 -5.397 13.234 3.962 1.00 0.00 C ATOM 767 O GLU A 55 -5.387 14.100 3.087 1.00 0.00 O ATOM 768 CB GLU A 55 -7.652 12.106 3.946 1.00 0.00 C ATOM 769 CG GLU A 55 -7.966 12.507 5.389 1.00 0.00 C ATOM 770 CD GLU A 55 -9.274 11.872 5.863 1.00 0.00 C ATOM 771 OE1 GLU A 55 -9.225 10.678 6.231 1.00 0.00 O ATOM 772 OE2 GLU A 55 -10.294 12.594 5.846 1.00 0.00 O ATOM 0 H GLU A 55 -6.322 10.461 5.239 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.989 11.600 2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.022 12.871 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.173 11.181 3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.150 12.197 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.038 13.592 5.461 1.00 0.00 H new ATOM 779 N GLU A 56 -4.786 13.343 5.132 1.00 0.00 N ATOM 780 CA GLU A 56 -4.035 14.538 5.476 1.00 0.00 C ATOM 781 C GLU A 56 -2.532 14.262 5.396 1.00 0.00 C ATOM 782 O GLU A 56 -1.744 14.886 6.105 1.00 0.00 O ATOM 783 CB GLU A 56 -4.425 15.051 6.864 1.00 0.00 C ATOM 784 CG GLU A 56 -3.968 14.080 7.955 1.00 0.00 C ATOM 785 CD GLU A 56 -4.581 14.448 9.308 1.00 0.00 C ATOM 786 OE1 GLU A 56 -5.824 14.581 9.351 1.00 0.00 O ATOM 787 OE2 GLU A 56 -3.794 14.588 10.269 1.00 0.00 O ATOM 0 H GLU A 56 -4.796 12.623 5.854 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.281 15.317 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.977 16.030 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.506 15.181 6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.255 13.064 7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.881 14.095 8.028 1.00 0.00 H new ATOM 794 N GLY A 57 -2.181 13.326 4.527 1.00 0.00 N ATOM 795 CA GLY A 57 -0.786 12.959 4.345 1.00 0.00 C ATOM 796 C GLY A 57 -0.295 13.346 2.948 1.00 0.00 C ATOM 797 O GLY A 57 -1.045 13.921 2.160 1.00 0.00 O ATOM 0 H GLY A 57 -2.838 12.810 3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.175 13.454 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.666 11.886 4.492 1.00 0.00 H new ATOM 801 N PRO A 58 0.993 13.006 2.677 1.00 0.00 N ATOM 802 CA PRO A 58 1.593 13.311 1.389 1.00 0.00 C ATOM 803 C PRO A 58 1.078 12.362 0.306 1.00 0.00 C ATOM 804 O PRO A 58 0.872 12.770 -0.836 1.00 0.00 O ATOM 805 CB PRO A 58 3.091 13.196 1.616 1.00 0.00 C ATOM 806 CG PRO A 58 3.259 12.382 2.889 1.00 0.00 C ATOM 807 CD PRO A 58 1.910 12.324 3.586 1.00 0.00 C ATOM 0 HA PRO A 58 1.333 14.307 1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.577 12.706 0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.547 14.181 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.612 11.377 2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.005 12.839 3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.600 11.294 3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.945 12.817 4.557 1.00 0.00 H new ATOM 815 N ALA A 59 0.883 11.112 0.702 1.00 0.00 N ATOM 816 CA ALA A 59 0.396 10.102 -0.221 1.00 0.00 C ATOM 817 C ALA A 59 -0.948 10.550 -0.798 1.00 0.00 C ATOM 818 O ALA A 59 -1.121 10.596 -2.015 1.00 0.00 O ATOM 819 CB ALA A 59 0.302 8.755 0.499 1.00 0.00 C ATOM 0 H ALA A 59 1.054 10.776 1.650 1.00 0.00 H new ATOM 0 HA ALA A 59 1.087 9.978 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.064 7.997 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.288 8.468 0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.386 8.839 1.340 1.00 0.00 H new ATOM 825 N ALA A 60 -1.866 10.869 0.103 1.00 0.00 N ATOM 826 CA ALA A 60 -3.189 11.311 -0.301 1.00 0.00 C ATOM 827 C ALA A 60 -3.058 12.323 -1.442 1.00 0.00 C ATOM 828 O ALA A 60 -3.881 12.344 -2.355 1.00 0.00 O ATOM 829 CB ALA A 60 -3.926 11.889 0.908 1.00 0.00 C ATOM 0 H ALA A 60 -1.719 10.830 1.112 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.777 10.471 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.919 12.221 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.019 11.123 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.366 12.736 1.305 1.00 0.00 H new ATOM 835 N ARG A 61 -2.016 13.136 -1.351 1.00 0.00 N ATOM 836 CA ARG A 61 -1.766 14.148 -2.364 1.00 0.00 C ATOM 837 C ARG A 61 -1.248 13.497 -3.648 1.00 0.00 C ATOM 838 O ARG A 61 -1.739 13.787 -4.738 1.00 0.00 O ATOM 839 CB ARG A 61 -0.746 15.177 -1.875 1.00 0.00 C ATOM 840 CG ARG A 61 -1.226 15.858 -0.591 1.00 0.00 C ATOM 841 CD ARG A 61 -0.644 17.268 -0.468 1.00 0.00 C ATOM 842 NE ARG A 61 -1.727 18.272 -0.558 1.00 0.00 N ATOM 843 CZ ARG A 61 -2.535 18.599 0.460 1.00 0.00 C ATOM 844 NH1 ARG A 61 -2.388 18.003 1.651 1.00 0.00 N ATOM 845 NH2 ARG A 61 -3.491 19.522 0.287 1.00 0.00 N ATOM 0 H ARG A 61 -1.335 13.115 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.709 14.656 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.212 14.688 -1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.581 15.927 -2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.315 15.908 -0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.931 15.262 0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.119 17.372 0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.088 17.438 -1.258 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.867 18.745 -1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.661 17.300 1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.003 18.252 2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.604 19.976 -0.620 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.106 19.771 1.062 1.00 0.00 H new ATOM 859 N ALA A 62 -0.262 12.628 -3.477 1.00 0.00 N ATOM 860 CA ALA A 62 0.328 11.934 -4.608 1.00 0.00 C ATOM 861 C ALA A 62 -0.785 11.347 -5.478 1.00 0.00 C ATOM 862 O ALA A 62 -0.650 11.273 -6.699 1.00 0.00 O ATOM 863 CB ALA A 62 1.298 10.864 -4.102 1.00 0.00 C ATOM 0 H ALA A 62 0.143 12.389 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 62 0.900 12.626 -5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.741 10.343 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.086 11.336 -3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.759 10.150 -3.479 1.00 0.00 H new ATOM 869 N GLY A 63 -1.860 10.944 -4.816 1.00 0.00 N ATOM 870 CA GLY A 63 -2.995 10.366 -5.514 1.00 0.00 C ATOM 871 C GLY A 63 -3.067 8.854 -5.287 1.00 0.00 C ATOM 872 O GLY A 63 -3.495 8.111 -6.168 1.00 0.00 O ATOM 0 H GLY A 63 -1.968 11.007 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.916 10.834 -5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.914 10.574 -6.581 1.00 0.00 H new ATOM 876 N VAL A 64 -2.641 8.445 -4.101 1.00 0.00 N ATOM 877 CA VAL A 64 -2.651 7.036 -3.748 1.00 0.00 C ATOM 878 C VAL A 64 -4.051 6.644 -3.272 1.00 0.00 C ATOM 879 O VAL A 64 -4.807 7.488 -2.793 1.00 0.00 O ATOM 880 CB VAL A 64 -1.564 6.749 -2.709 1.00 0.00 C ATOM 881 CG1 VAL A 64 -1.997 7.218 -1.319 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.196 5.264 -2.697 1.00 0.00 C ATOM 0 H VAL A 64 -2.287 9.065 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.420 6.422 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.674 7.312 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.207 7.002 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.186 8.291 -1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.907 6.695 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.422 5.087 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.078 4.672 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.825 4.973 -3.680 1.00 0.00 H new ATOM 892 N ARG A 65 -4.355 5.363 -3.420 1.00 0.00 N ATOM 893 CA ARG A 65 -5.651 4.849 -3.011 1.00 0.00 C ATOM 894 C ARG A 65 -5.484 3.529 -2.255 1.00 0.00 C ATOM 895 O ARG A 65 -4.667 2.692 -2.633 1.00 0.00 O ATOM 896 CB ARG A 65 -6.561 4.624 -4.220 1.00 0.00 C ATOM 897 CG ARG A 65 -6.876 5.947 -4.922 1.00 0.00 C ATOM 898 CD ARG A 65 -7.887 5.740 -6.052 1.00 0.00 C ATOM 899 NE ARG A 65 -7.795 6.853 -7.023 1.00 0.00 N ATOM 900 CZ ARG A 65 -8.765 7.178 -7.888 1.00 0.00 C ATOM 901 NH1 ARG A 65 -9.907 6.477 -7.907 1.00 0.00 N ATOM 902 NH2 ARG A 65 -8.594 8.204 -8.733 1.00 0.00 N ATOM 0 H ARG A 65 -3.726 4.666 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.110 5.591 -2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.079 3.942 -4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.488 4.149 -3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.273 6.661 -4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.959 6.377 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.695 4.792 -6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.896 5.686 -5.643 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.939 7.408 -7.034 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.037 5.697 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.646 6.724 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.725 8.738 -8.718 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.333 8.451 -9.391 1.00 0.00 H new ATOM 916 N VAL A 66 -6.272 3.385 -1.199 1.00 0.00 N ATOM 917 CA VAL A 66 -6.222 2.182 -0.387 1.00 0.00 C ATOM 918 C VAL A 66 -6.619 0.977 -1.242 1.00 0.00 C ATOM 919 O VAL A 66 -7.476 1.088 -2.118 1.00 0.00 O ATOM 920 CB VAL A 66 -7.102 2.350 0.853 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.242 1.028 1.611 1.00 0.00 C ATOM 922 CG2 VAL A 66 -6.557 3.451 1.767 1.00 0.00 C ATOM 0 H VAL A 66 -6.948 4.082 -0.888 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.208 2.006 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.095 2.651 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.872 1.176 2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.696 0.281 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.257 0.683 1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.201 3.550 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.548 3.192 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.534 4.396 1.224 1.00 0.00 H new ATOM 932 N GLY A 67 -5.978 -0.147 -0.959 1.00 0.00 N ATOM 933 CA GLY A 67 -6.253 -1.371 -1.691 1.00 0.00 C ATOM 934 C GLY A 67 -5.214 -1.598 -2.791 1.00 0.00 C ATOM 935 O GLY A 67 -5.009 -2.727 -3.233 1.00 0.00 O ATOM 0 H GLY A 67 -5.268 -0.236 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.252 -2.218 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.249 -1.319 -2.131 1.00 0.00 H new ATOM 939 N ASP A 68 -4.586 -0.506 -3.201 1.00 0.00 N ATOM 940 CA ASP A 68 -3.573 -0.571 -4.241 1.00 0.00 C ATOM 941 C ASP A 68 -2.557 -1.660 -3.890 1.00 0.00 C ATOM 942 O ASP A 68 -2.105 -1.748 -2.750 1.00 0.00 O ATOM 943 CB ASP A 68 -2.821 0.756 -4.361 1.00 0.00 C ATOM 944 CG ASP A 68 -3.021 1.495 -5.686 1.00 0.00 C ATOM 945 OD1 ASP A 68 -2.999 0.806 -6.729 1.00 0.00 O ATOM 946 OD2 ASP A 68 -3.192 2.732 -5.625 1.00 0.00 O ATOM 0 H ASP A 68 -4.759 0.429 -2.832 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.072 -0.789 -5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.135 1.409 -3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.756 0.567 -4.225 1.00 0.00 H new ATOM 951 N LYS A 69 -2.229 -2.463 -4.891 1.00 0.00 N ATOM 952 CA LYS A 69 -1.275 -3.543 -4.703 1.00 0.00 C ATOM 953 C LYS A 69 0.114 -3.073 -5.138 1.00 0.00 C ATOM 954 O LYS A 69 0.410 -3.021 -6.331 1.00 0.00 O ATOM 955 CB LYS A 69 -1.749 -4.808 -5.422 1.00 0.00 C ATOM 956 CG LYS A 69 -0.649 -5.871 -5.444 1.00 0.00 C ATOM 957 CD LYS A 69 -1.019 -7.024 -6.379 1.00 0.00 C ATOM 958 CE LYS A 69 -0.043 -8.192 -6.222 1.00 0.00 C ATOM 959 NZ LYS A 69 1.323 -7.783 -6.616 1.00 0.00 N ATOM 0 H LYS A 69 -2.607 -2.388 -5.835 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.206 -3.810 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.633 -5.205 -4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.043 -4.562 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.289 -5.422 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.487 -6.253 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.033 -7.361 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.012 -6.676 -7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.042 -8.536 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.369 -9.031 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.969 -8.592 -6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.317 -7.461 -7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.644 -7.008 -6.001 1.00 0.00 H new ATOM 973 N LEU A 70 0.929 -2.741 -4.147 1.00 0.00 N ATOM 974 CA LEU A 70 2.280 -2.277 -4.413 1.00 0.00 C ATOM 975 C LEU A 70 3.024 -3.331 -5.235 1.00 0.00 C ATOM 976 O LEU A 70 2.784 -4.527 -5.080 1.00 0.00 O ATOM 977 CB LEU A 70 2.985 -1.904 -3.107 1.00 0.00 C ATOM 978 CG LEU A 70 4.173 -0.949 -3.235 1.00 0.00 C ATOM 979 CD1 LEU A 70 3.862 0.184 -4.215 1.00 0.00 C ATOM 980 CD2 LEU A 70 4.601 -0.420 -1.865 1.00 0.00 C ATOM 0 H LEU A 70 0.680 -2.784 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 70 2.259 -1.364 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.252 -1.453 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.331 -2.821 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 70 5.017 -1.506 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.723 0.849 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.643 -0.235 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.999 0.746 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.447 0.257 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.770 0.116 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.891 -1.255 -1.227 1.00 0.00 H new ATOM 992 N LEU A 71 3.913 -2.848 -6.091 1.00 0.00 N ATOM 993 CA LEU A 71 4.695 -3.733 -6.937 1.00 0.00 C ATOM 994 C LEU A 71 6.180 -3.405 -6.778 1.00 0.00 C ATOM 995 O LEU A 71 7.012 -4.306 -6.679 1.00 0.00 O ATOM 996 CB LEU A 71 4.201 -3.665 -8.384 1.00 0.00 C ATOM 997 CG LEU A 71 2.683 -3.660 -8.576 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.313 -3.264 -10.006 1.00 0.00 C ATOM 999 CD2 LEU A 71 2.077 -5.008 -8.179 1.00 0.00 C ATOM 0 H LEU A 71 4.109 -1.855 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 71 4.563 -4.770 -6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.608 -2.765 -8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.613 -4.515 -8.928 1.00 0.00 H new ATOM 0 HG LEU A 71 2.256 -2.907 -7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.229 -3.268 -10.116 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.695 -2.265 -10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.751 -3.976 -10.706 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.997 -4.979 -8.325 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.505 -5.796 -8.798 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.296 -5.211 -7.131 1.00 0.00 H new ATOM 1011 N GLU A 72 6.469 -2.112 -6.758 1.00 0.00 N ATOM 1012 CA GLU A 72 7.840 -1.653 -6.612 1.00 0.00 C ATOM 1013 C GLU A 72 7.897 -0.436 -5.687 1.00 0.00 C ATOM 1014 O GLU A 72 6.862 0.123 -5.326 1.00 0.00 O ATOM 1015 CB GLU A 72 8.459 -1.336 -7.975 1.00 0.00 C ATOM 1016 CG GLU A 72 9.649 -2.254 -8.263 1.00 0.00 C ATOM 1017 CD GLU A 72 10.018 -2.223 -9.748 1.00 0.00 C ATOM 1018 OE1 GLU A 72 9.422 -3.026 -10.498 1.00 0.00 O ATOM 1019 OE2 GLU A 72 10.888 -1.397 -10.099 1.00 0.00 O ATOM 0 H GLU A 72 5.777 -1.367 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 72 8.425 -2.454 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.708 -1.453 -8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.784 -0.296 -7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.506 -1.943 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.406 -3.274 -7.966 1.00 0.00 H new ATOM 1026 N VAL A 73 9.116 -0.060 -5.330 1.00 0.00 N ATOM 1027 CA VAL A 73 9.321 1.081 -4.454 1.00 0.00 C ATOM 1028 C VAL A 73 10.694 1.695 -4.736 1.00 0.00 C ATOM 1029 O VAL A 73 11.713 1.188 -4.269 1.00 0.00 O ATOM 1030 CB VAL A 73 9.144 0.658 -2.994 1.00 0.00 C ATOM 1031 CG1 VAL A 73 9.832 1.646 -2.050 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.663 0.506 -2.644 1.00 0.00 C ATOM 0 H VAL A 73 9.972 -0.525 -5.632 1.00 0.00 H new ATOM 0 HA VAL A 73 8.574 1.851 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 73 9.620 -0.314 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.691 1.322 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.898 1.683 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.398 2.637 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.565 0.205 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.154 1.457 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.214 -0.253 -3.285 1.00 0.00 H new ATOM 1042 N ASN A 74 10.677 2.778 -5.500 1.00 0.00 N ATOM 1043 CA ASN A 74 11.908 3.466 -5.850 1.00 0.00 C ATOM 1044 C ASN A 74 12.733 2.582 -6.787 1.00 0.00 C ATOM 1045 O ASN A 74 13.898 2.871 -7.054 1.00 0.00 O ATOM 1046 CB ASN A 74 12.752 3.752 -4.606 1.00 0.00 C ATOM 1047 CG ASN A 74 13.036 5.249 -4.469 1.00 0.00 C ATOM 1048 OD1 ASN A 74 13.956 5.789 -5.062 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.198 5.887 -3.657 1.00 0.00 N ATOM 0 H ASN A 74 9.830 3.196 -5.886 1.00 0.00 H new ATOM 0 HA ASN A 74 11.643 4.408 -6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.231 3.394 -3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.692 3.204 -4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.304 6.889 -3.499 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.449 5.374 -3.192 1.00 0.00 H new ATOM 1056 N GLY A 75 12.095 1.521 -7.262 1.00 0.00 N ATOM 1057 CA GLY A 75 12.755 0.593 -8.164 1.00 0.00 C ATOM 1058 C GLY A 75 12.935 -0.777 -7.506 1.00 0.00 C ATOM 1059 O GLY A 75 13.182 -1.770 -8.189 1.00 0.00 O ATOM 0 H GLY A 75 11.128 1.284 -7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.168 0.488 -9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.727 0.992 -8.454 1.00 0.00 H new ATOM 1063 N VAL A 76 12.803 -0.787 -6.188 1.00 0.00 N ATOM 1064 CA VAL A 76 12.948 -2.018 -5.430 1.00 0.00 C ATOM 1065 C VAL A 76 11.699 -2.881 -5.625 1.00 0.00 C ATOM 1066 O VAL A 76 10.577 -2.388 -5.521 1.00 0.00 O ATOM 1067 CB VAL A 76 13.231 -1.699 -3.961 1.00 0.00 C ATOM 1068 CG1 VAL A 76 11.976 -1.170 -3.264 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.789 -2.922 -3.232 1.00 0.00 C ATOM 0 H VAL A 76 12.597 0.038 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 76 13.801 -2.592 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 76 13.988 -0.916 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.204 -0.951 -2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.640 -0.260 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.188 -1.922 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.981 -2.668 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.065 -3.736 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.719 -3.236 -3.707 1.00 0.00 H new ATOM 1079 N ALA A 77 11.937 -4.154 -5.903 1.00 0.00 N ATOM 1080 CA ALA A 77 10.845 -5.090 -6.113 1.00 0.00 C ATOM 1081 C ALA A 77 10.313 -5.558 -4.757 1.00 0.00 C ATOM 1082 O ALA A 77 11.031 -6.198 -3.991 1.00 0.00 O ATOM 1083 CB ALA A 77 11.330 -6.253 -6.982 1.00 0.00 C ATOM 0 H ALA A 77 12.869 -4.559 -5.988 1.00 0.00 H new ATOM 0 HA ALA A 77 10.022 -4.608 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.511 -6.955 -7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.671 -5.871 -7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.154 -6.762 -6.482 1.00 0.00 H new ATOM 1089 N LEU A 78 9.057 -5.220 -4.502 1.00 0.00 N ATOM 1090 CA LEU A 78 8.420 -5.598 -3.252 1.00 0.00 C ATOM 1091 C LEU A 78 7.557 -6.841 -3.480 1.00 0.00 C ATOM 1092 O LEU A 78 6.984 -7.384 -2.537 1.00 0.00 O ATOM 1093 CB LEU A 78 7.649 -4.414 -2.665 1.00 0.00 C ATOM 1094 CG LEU A 78 8.494 -3.220 -2.216 1.00 0.00 C ATOM 1095 CD1 LEU A 78 7.661 -2.237 -1.391 1.00 0.00 C ATOM 1096 CD2 LEU A 78 9.743 -3.684 -1.465 1.00 0.00 C ATOM 0 H LEU A 78 8.464 -4.689 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 78 9.170 -5.862 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.933 -4.067 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.073 -4.769 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 78 8.832 -2.688 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.286 -1.398 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.830 -1.870 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.273 -2.742 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.326 -2.816 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.447 -4.254 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.347 -4.314 -2.118 1.00 0.00 H new ATOM 1108 N GLN A 79 7.492 -7.255 -4.737 1.00 0.00 N ATOM 1109 CA GLN A 79 6.709 -8.424 -5.100 1.00 0.00 C ATOM 1110 C GLN A 79 7.446 -9.703 -4.697 1.00 0.00 C ATOM 1111 O GLN A 79 8.249 -10.229 -5.467 1.00 0.00 O ATOM 1112 CB GLN A 79 6.386 -8.425 -6.595 1.00 0.00 C ATOM 1113 CG GLN A 79 4.994 -9.003 -6.855 1.00 0.00 C ATOM 1114 CD GLN A 79 5.063 -10.512 -7.098 1.00 0.00 C ATOM 1115 OE1 GLN A 79 6.123 -11.117 -7.111 1.00 0.00 O ATOM 1116 NE2 GLN A 79 3.878 -11.084 -7.289 1.00 0.00 N ATOM 0 H GLN A 79 7.969 -6.802 -5.517 1.00 0.00 H new ATOM 0 HA GLN A 79 5.764 -8.387 -4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 79 6.439 -7.408 -6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.133 -9.010 -7.132 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.346 -8.798 -6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.548 -8.512 -7.720 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.029 -10.519 -7.265 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.818 -12.088 -7.459 1.00 0.00 H new ATOM 1125 N GLY A 80 7.148 -10.166 -3.492 1.00 0.00 N ATOM 1126 CA GLY A 80 7.772 -11.373 -2.979 1.00 0.00 C ATOM 1127 C GLY A 80 8.352 -11.139 -1.582 1.00 0.00 C ATOM 1128 O GLY A 80 8.381 -12.050 -0.757 1.00 0.00 O ATOM 0 H GLY A 80 6.482 -9.727 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.038 -12.178 -2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.564 -11.694 -3.656 1.00 0.00 H new ATOM 1132 N ALA A 81 8.799 -9.911 -1.360 1.00 0.00 N ATOM 1133 CA ALA A 81 9.377 -9.546 -0.078 1.00 0.00 C ATOM 1134 C ALA A 81 8.283 -9.561 0.992 1.00 0.00 C ATOM 1135 O ALA A 81 7.097 -9.501 0.673 1.00 0.00 O ATOM 1136 CB ALA A 81 10.058 -8.180 -0.195 1.00 0.00 C ATOM 0 H ALA A 81 8.772 -9.157 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 81 10.139 -10.267 0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.492 -7.906 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.845 -8.229 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.323 -7.431 -0.488 1.00 0.00 H new ATOM 1142 N GLU A 82 8.721 -9.642 2.239 1.00 0.00 N ATOM 1143 CA GLU A 82 7.795 -9.667 3.358 1.00 0.00 C ATOM 1144 C GLU A 82 7.329 -8.248 3.693 1.00 0.00 C ATOM 1145 O GLU A 82 7.699 -7.293 3.012 1.00 0.00 O ATOM 1146 CB GLU A 82 8.426 -10.339 4.579 1.00 0.00 C ATOM 1147 CG GLU A 82 8.517 -11.854 4.384 1.00 0.00 C ATOM 1148 CD GLU A 82 8.687 -12.570 5.726 1.00 0.00 C ATOM 1149 OE1 GLU A 82 8.269 -11.976 6.743 1.00 0.00 O ATOM 1150 OE2 GLU A 82 9.232 -13.695 5.704 1.00 0.00 O ATOM 0 H GLU A 82 9.706 -9.691 2.500 1.00 0.00 H new ATOM 0 HA GLU A 82 6.925 -10.257 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.422 -9.930 4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.834 -10.118 5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.617 -12.215 3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.358 -12.091 3.732 1.00 0.00 H new ATOM 1157 N HIS A 83 6.525 -8.156 4.742 1.00 0.00 N ATOM 1158 CA HIS A 83 6.006 -6.870 5.176 1.00 0.00 C ATOM 1159 C HIS A 83 7.166 -5.956 5.575 1.00 0.00 C ATOM 1160 O HIS A 83 7.297 -4.850 5.053 1.00 0.00 O ATOM 1161 CB HIS A 83 4.979 -7.049 6.296 1.00 0.00 C ATOM 1162 CG HIS A 83 4.524 -5.753 6.924 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.190 -5.401 7.032 1.00 0.00 N ATOM 1164 CD2 HIS A 83 5.238 -4.731 7.476 1.00 0.00 C ATOM 1165 CE1 HIS A 83 3.116 -4.217 7.623 1.00 0.00 C ATOM 1166 NE2 HIS A 83 4.387 -3.803 7.897 1.00 0.00 N ATOM 0 H HIS A 83 6.220 -8.951 5.304 1.00 0.00 H new ATOM 0 HA HIS A 83 5.479 -6.390 4.352 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.110 -7.573 5.898 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.408 -7.685 7.070 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.314 -4.684 7.557 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.209 -3.675 7.848 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.641 -2.925 8.350 1.00 0.00 H new ATOM 1174 N HIS A 84 7.978 -6.452 6.497 1.00 0.00 N ATOM 1175 CA HIS A 84 9.123 -5.694 6.972 1.00 0.00 C ATOM 1176 C HIS A 84 9.942 -5.199 5.778 1.00 0.00 C ATOM 1177 O HIS A 84 10.282 -4.020 5.700 1.00 0.00 O ATOM 1178 CB HIS A 84 9.950 -6.520 7.958 1.00 0.00 C ATOM 1179 CG HIS A 84 10.605 -7.735 7.344 1.00 0.00 C ATOM 1180 ND1 HIS A 84 11.978 -7.876 7.242 1.00 0.00 N ATOM 1181 CD2 HIS A 84 10.060 -8.862 6.801 1.00 0.00 C ATOM 1182 CE1 HIS A 84 12.237 -9.039 6.662 1.00 0.00 C ATOM 1183 NE2 HIS A 84 11.047 -9.648 6.389 1.00 0.00 N ATOM 0 H HIS A 84 7.866 -7.370 6.928 1.00 0.00 H new ATOM 0 HA HIS A 84 8.781 -4.817 7.521 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.722 -5.884 8.391 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.306 -6.842 8.776 1.00 0.00 H new ATOM 0 HD1 HIS A 84 12.672 -7.200 7.559 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.005 -9.078 6.720 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.218 -9.435 6.444 1.00 0.00 H new ATOM 1191 N GLU A 85 10.235 -6.126 4.878 1.00 0.00 N ATOM 1192 CA GLU A 85 11.008 -5.800 3.692 1.00 0.00 C ATOM 1193 C GLU A 85 10.429 -4.562 3.005 1.00 0.00 C ATOM 1194 O GLU A 85 11.172 -3.683 2.571 1.00 0.00 O ATOM 1195 CB GLU A 85 11.063 -6.987 2.729 1.00 0.00 C ATOM 1196 CG GLU A 85 11.883 -8.136 3.320 1.00 0.00 C ATOM 1197 CD GLU A 85 12.872 -8.688 2.292 1.00 0.00 C ATOM 1198 OE1 GLU A 85 13.463 -7.857 1.569 1.00 0.00 O ATOM 1199 OE2 GLU A 85 13.016 -9.929 2.252 1.00 0.00 O ATOM 0 H GLU A 85 9.951 -7.103 4.946 1.00 0.00 H new ATOM 0 HA GLU A 85 12.030 -5.577 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.052 -7.331 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.502 -6.672 1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.424 -7.787 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.215 -8.931 3.651 1.00 0.00 H new ATOM 1206 N ALA A 86 9.106 -4.533 2.927 1.00 0.00 N ATOM 1207 CA ALA A 86 8.418 -3.417 2.299 1.00 0.00 C ATOM 1208 C ALA A 86 8.761 -2.127 3.046 1.00 0.00 C ATOM 1209 O ALA A 86 9.319 -1.198 2.464 1.00 0.00 O ATOM 1210 CB ALA A 86 6.914 -3.694 2.274 1.00 0.00 C ATOM 0 H ALA A 86 8.493 -5.264 3.288 1.00 0.00 H new ATOM 0 HA ALA A 86 8.745 -3.296 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.398 -2.857 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.721 -4.605 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.550 -3.817 3.294 1.00 0.00 H new ATOM 1216 N VAL A 87 8.412 -2.111 4.324 1.00 0.00 N ATOM 1217 CA VAL A 87 8.676 -0.949 5.157 1.00 0.00 C ATOM 1218 C VAL A 87 10.059 -0.388 4.819 1.00 0.00 C ATOM 1219 O VAL A 87 10.182 0.770 4.421 1.00 0.00 O ATOM 1220 CB VAL A 87 8.527 -1.320 6.634 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.118 -0.233 7.535 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.062 -1.587 6.987 1.00 0.00 C ATOM 0 H VAL A 87 7.949 -2.883 4.803 1.00 0.00 H new ATOM 0 HA VAL A 87 7.948 -0.163 4.957 1.00 0.00 H new ATOM 0 HB VAL A 87 9.087 -2.239 6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.999 -0.522 8.579 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.178 -0.111 7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.599 0.709 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.984 -1.849 8.042 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.471 -0.692 6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.686 -2.411 6.380 1.00 0.00 H new ATOM 1232 N GLU A 88 11.064 -1.234 4.989 1.00 0.00 N ATOM 1233 CA GLU A 88 12.433 -0.837 4.706 1.00 0.00 C ATOM 1234 C GLU A 88 12.489 -0.001 3.426 1.00 0.00 C ATOM 1235 O GLU A 88 12.903 1.157 3.454 1.00 0.00 O ATOM 1236 CB GLU A 88 13.348 -2.058 4.605 1.00 0.00 C ATOM 1237 CG GLU A 88 14.599 -1.879 5.467 1.00 0.00 C ATOM 1238 CD GLU A 88 15.629 -0.994 4.762 1.00 0.00 C ATOM 1239 OE1 GLU A 88 15.190 -0.135 3.968 1.00 0.00 O ATOM 1240 OE2 GLU A 88 16.832 -1.197 5.033 1.00 0.00 O ATOM 0 H GLU A 88 10.958 -2.193 5.319 1.00 0.00 H new ATOM 0 HA GLU A 88 12.792 -0.224 5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.807 -2.949 4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.637 -2.215 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.325 -1.433 6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.038 -2.853 5.683 1.00 0.00 H new ATOM 1247 N ALA A 89 12.067 -0.621 2.334 1.00 0.00 N ATOM 1248 CA ALA A 89 12.065 0.052 1.046 1.00 0.00 C ATOM 1249 C ALA A 89 11.540 1.478 1.221 1.00 0.00 C ATOM 1250 O ALA A 89 12.235 2.442 0.904 1.00 0.00 O ATOM 1251 CB ALA A 89 11.232 -0.757 0.049 1.00 0.00 C ATOM 0 H ALA A 89 11.724 -1.581 2.314 1.00 0.00 H new ATOM 0 HA ALA A 89 13.077 0.120 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.230 -0.253 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.663 -1.752 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.209 -0.843 0.415 1.00 0.00 H new ATOM 1257 N LEU A 90 10.318 1.567 1.725 1.00 0.00 N ATOM 1258 CA LEU A 90 9.692 2.860 1.946 1.00 0.00 C ATOM 1259 C LEU A 90 10.703 3.807 2.597 1.00 0.00 C ATOM 1260 O LEU A 90 10.972 4.887 2.074 1.00 0.00 O ATOM 1261 CB LEU A 90 8.398 2.699 2.746 1.00 0.00 C ATOM 1262 CG LEU A 90 7.132 2.435 1.928 1.00 0.00 C ATOM 1263 CD1 LEU A 90 6.008 1.897 2.815 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.706 3.687 1.159 1.00 0.00 C ATOM 0 H LEU A 90 9.745 0.765 1.987 1.00 0.00 H new ATOM 0 HA LEU A 90 9.399 3.308 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.529 1.878 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.244 3.603 3.336 1.00 0.00 H new ATOM 0 HG LEU A 90 7.356 1.664 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.120 1.718 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.326 0.963 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.776 2.626 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.804 3.473 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.506 4.495 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.505 3.986 0.480 1.00 0.00 H new ATOM 1276 N ARG A 91 11.236 3.366 3.727 1.00 0.00 N ATOM 1277 CA ARG A 91 12.211 4.161 4.455 1.00 0.00 C ATOM 1278 C ARG A 91 13.323 4.627 3.513 1.00 0.00 C ATOM 1279 O ARG A 91 13.635 5.816 3.456 1.00 0.00 O ATOM 1280 CB ARG A 91 12.827 3.361 5.604 1.00 0.00 C ATOM 1281 CG ARG A 91 11.776 3.027 6.665 1.00 0.00 C ATOM 1282 CD ARG A 91 12.379 3.081 8.070 1.00 0.00 C ATOM 1283 NE ARG A 91 12.550 4.489 8.494 1.00 0.00 N ATOM 1284 CZ ARG A 91 13.399 4.887 9.451 1.00 0.00 C ATOM 1285 NH1 ARG A 91 14.159 3.987 10.089 1.00 0.00 N ATOM 1286 NH2 ARG A 91 13.487 6.186 9.769 1.00 0.00 N ATOM 0 H ARG A 91 11.011 2.468 4.156 1.00 0.00 H new ATOM 0 HA ARG A 91 11.692 5.026 4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.264 2.440 5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 91 13.637 3.933 6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.946 3.730 6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.368 2.033 6.478 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.731 2.557 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.342 2.570 8.081 1.00 0.00 H new ATOM 0 HE ARG A 91 11.986 5.200 8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 91 14.091 2.999 9.846 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.805 4.290 10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.908 6.870 9.283 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.133 6.490 10.497 1.00 0.00 H new ATOM 1300 N GLY A 92 13.891 3.667 2.799 1.00 0.00 N ATOM 1301 CA GLY A 92 14.963 3.965 1.863 1.00 0.00 C ATOM 1302 C GLY A 92 14.417 4.637 0.601 1.00 0.00 C ATOM 1303 O GLY A 92 14.104 3.964 -0.380 1.00 0.00 O ATOM 0 H GLY A 92 13.630 2.682 2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.695 4.617 2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.482 3.045 1.594 1.00 0.00 H new ATOM 1307 N ALA A 93 14.320 5.957 0.668 1.00 0.00 N ATOM 1308 CA ALA A 93 13.818 6.728 -0.457 1.00 0.00 C ATOM 1309 C ALA A 93 13.943 8.220 -0.143 1.00 0.00 C ATOM 1310 O ALA A 93 13.500 8.676 0.910 1.00 0.00 O ATOM 1311 CB ALA A 93 12.376 6.314 -0.757 1.00 0.00 C ATOM 0 H ALA A 93 14.580 6.512 1.483 1.00 0.00 H new ATOM 0 HA ALA A 93 14.407 6.529 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.999 6.892 -1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.346 5.252 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.754 6.502 0.118 1.00 0.00 H new ATOM 1317 N GLY A 94 14.548 8.940 -1.076 1.00 0.00 N ATOM 1318 CA GLY A 94 14.736 10.372 -0.912 1.00 0.00 C ATOM 1319 C GLY A 94 13.395 11.108 -0.940 1.00 0.00 C ATOM 1320 O GLY A 94 12.339 10.485 -0.842 1.00 0.00 O ATOM 0 H GLY A 94 14.914 8.559 -1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.244 10.570 0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.380 10.751 -1.706 1.00 0.00 H new ATOM 1324 N THR A 95 13.481 12.423 -1.073 1.00 0.00 N ATOM 1325 CA THR A 95 12.287 13.251 -1.114 1.00 0.00 C ATOM 1326 C THR A 95 11.199 12.576 -1.951 1.00 0.00 C ATOM 1327 O THR A 95 10.226 12.055 -1.407 1.00 0.00 O ATOM 1328 CB THR A 95 12.687 14.632 -1.637 1.00 0.00 C ATOM 1329 OG1 THR A 95 13.990 14.842 -1.100 1.00 0.00 O ATOM 1330 CG2 THR A 95 11.846 15.755 -1.028 1.00 0.00 C ATOM 0 H THR A 95 14.359 12.936 -1.154 1.00 0.00 H new ATOM 0 HA THR A 95 11.858 13.376 -0.120 1.00 0.00 H new ATOM 0 HB THR A 95 12.587 14.652 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.327 15.715 -1.391 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.171 16.713 -1.433 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.795 15.596 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.971 15.757 0.055 1.00 0.00 H new ATOM 1338 N ALA A 96 11.399 12.607 -3.260 1.00 0.00 N ATOM 1339 CA ALA A 96 10.447 12.004 -4.178 1.00 0.00 C ATOM 1340 C ALA A 96 10.540 10.481 -4.074 1.00 0.00 C ATOM 1341 O ALA A 96 11.586 9.898 -4.355 1.00 0.00 O ATOM 1342 CB ALA A 96 10.716 12.509 -5.597 1.00 0.00 C ATOM 0 H ALA A 96 12.207 13.040 -3.707 1.00 0.00 H new ATOM 0 HA ALA A 96 9.428 12.291 -3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.002 12.057 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.609 13.593 -5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.729 12.237 -5.894 1.00 0.00 H new ATOM 1348 N VAL A 97 9.431 9.879 -3.669 1.00 0.00 N ATOM 1349 CA VAL A 97 9.374 8.434 -3.525 1.00 0.00 C ATOM 1350 C VAL A 97 8.443 7.855 -4.593 1.00 0.00 C ATOM 1351 O VAL A 97 7.236 8.089 -4.561 1.00 0.00 O ATOM 1352 CB VAL A 97 8.951 8.067 -2.101 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.645 6.572 -1.988 1.00 0.00 C ATOM 1354 CG2 VAL A 97 10.017 8.486 -1.087 1.00 0.00 C ATOM 0 H VAL A 97 8.565 10.365 -3.436 1.00 0.00 H new ATOM 0 HA VAL A 97 10.360 7.995 -3.681 1.00 0.00 H new ATOM 0 HB VAL A 97 8.037 8.615 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.347 6.338 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.835 6.314 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.535 5.998 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.691 8.214 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 97 10.955 7.979 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.166 9.565 -1.140 1.00 0.00 H new ATOM 1364 N GLN A 98 9.041 7.112 -5.512 1.00 0.00 N ATOM 1365 CA GLN A 98 8.280 6.498 -6.588 1.00 0.00 C ATOM 1366 C GLN A 98 7.780 5.116 -6.163 1.00 0.00 C ATOM 1367 O GLN A 98 8.573 4.252 -5.791 1.00 0.00 O ATOM 1368 CB GLN A 98 9.114 6.410 -7.867 1.00 0.00 C ATOM 1369 CG GLN A 98 8.243 6.629 -9.106 1.00 0.00 C ATOM 1370 CD GLN A 98 8.966 6.170 -10.374 1.00 0.00 C ATOM 1371 OE1 GLN A 98 9.352 5.021 -10.517 1.00 0.00 O ATOM 1372 NE2 GLN A 98 9.128 7.128 -11.282 1.00 0.00 N ATOM 0 H GLN A 98 10.043 6.921 -5.534 1.00 0.00 H new ATOM 0 HA GLN A 98 7.415 7.126 -6.800 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.908 7.156 -7.840 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.596 5.434 -7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.307 6.081 -8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.986 7.685 -9.192 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.780 8.069 -11.098 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.600 6.922 -12.162 1.00 0.00 H new ATOM 1381 N MET A 99 6.467 4.950 -6.232 1.00 0.00 N ATOM 1382 CA MET A 99 5.852 3.688 -5.859 1.00 0.00 C ATOM 1383 C MET A 99 4.987 3.143 -6.997 1.00 0.00 C ATOM 1384 O MET A 99 4.115 3.843 -7.509 1.00 0.00 O ATOM 1385 CB MET A 99 4.988 3.890 -4.612 1.00 0.00 C ATOM 1386 CG MET A 99 5.858 4.062 -3.365 1.00 0.00 C ATOM 1387 SD MET A 99 5.319 2.939 -2.086 1.00 0.00 S ATOM 1388 CE MET A 99 4.165 3.988 -1.218 1.00 0.00 C ATOM 0 H MET A 99 5.812 5.669 -6.541 1.00 0.00 H new ATOM 0 HA MET A 99 6.643 2.967 -5.651 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.355 4.768 -4.742 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.325 3.035 -4.482 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.903 3.872 -3.611 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.797 5.090 -3.008 1.00 0.00 H new ATOM 0 HE1 MET A 99 3.654 3.409 -0.449 1.00 0.00 H new ATOM 0 HE2 MET A 99 4.703 4.814 -0.752 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.432 4.383 -1.922 1.00 0.00 H new ATOM 1398 N ARG A 100 5.257 1.897 -7.358 1.00 0.00 N ATOM 1399 CA ARG A 100 4.514 1.249 -8.426 1.00 0.00 C ATOM 1400 C ARG A 100 3.398 0.380 -7.844 1.00 0.00 C ATOM 1401 O ARG A 100 3.658 -0.705 -7.325 1.00 0.00 O ATOM 1402 CB ARG A 100 5.432 0.380 -9.287 1.00 0.00 C ATOM 1403 CG ARG A 100 4.703 -0.118 -10.536 1.00 0.00 C ATOM 1404 CD ARG A 100 5.494 -1.231 -11.227 1.00 0.00 C ATOM 1405 NE ARG A 100 5.721 -0.884 -12.647 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.623 0.014 -13.067 1.00 0.00 C ATOM 1407 NH1 ARG A 100 7.387 0.661 -12.177 1.00 0.00 N ATOM 1408 NH2 ARG A 100 6.760 0.265 -14.376 1.00 0.00 N ATOM 0 H ARG A 100 5.980 1.319 -6.930 1.00 0.00 H new ATOM 0 HA ARG A 100 4.082 2.030 -9.051 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.312 0.953 -9.579 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.785 -0.471 -8.704 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.714 -0.486 -10.262 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.554 0.710 -11.229 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.449 -1.377 -10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.950 -2.173 -11.157 1.00 0.00 H new ATOM 0 HE ARG A 100 5.155 -1.358 -13.351 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.282 0.470 -11.181 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.074 1.345 -12.496 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.178 -0.227 -15.053 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.447 0.949 -14.695 1.00 0.00 H new ATOM 1422 N VAL A 101 2.179 0.888 -7.950 1.00 0.00 N ATOM 1423 CA VAL A 101 1.022 0.171 -7.441 1.00 0.00 C ATOM 1424 C VAL A 101 0.274 -0.476 -8.609 1.00 0.00 C ATOM 1425 O VAL A 101 0.357 -0.004 -9.741 1.00 0.00 O ATOM 1426 CB VAL A 101 0.143 1.114 -6.616 1.00 0.00 C ATOM 1427 CG1 VAL A 101 0.904 1.650 -5.402 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.391 2.259 -7.478 1.00 0.00 C ATOM 0 H VAL A 101 1.967 1.788 -8.381 1.00 0.00 H new ATOM 0 HA VAL A 101 1.333 -0.630 -6.771 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.711 0.543 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.257 2.317 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.213 0.818 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.785 2.197 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.012 2.914 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.445 2.828 -7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.986 1.852 -8.295 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.441 -1.546 -8.292 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.203 -2.262 -9.300 1.00 0.00 C ATOM 1440 C TRP A 102 -2.686 -1.954 -9.079 1.00 0.00 C ATOM 1441 O TRP A 102 -3.204 -2.140 -7.979 1.00 0.00 O ATOM 1442 CB TRP A 102 -0.891 -3.759 -9.263 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.329 -4.517 -10.518 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -1.013 -4.255 -11.793 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.182 -5.681 -10.565 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.596 -5.160 -12.656 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.330 -6.055 -11.885 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -2.807 -6.394 -9.527 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -3.099 -7.152 -12.290 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.572 -7.488 -9.948 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -3.732 -7.877 -11.273 1.00 0.00 C ATOM 0 H TRP A 102 -0.508 -1.934 -7.351 1.00 0.00 H new ATOM 0 HA TRP A 102 -0.924 -1.932 -10.301 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.182 -3.893 -9.126 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.381 -4.200 -8.395 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.381 -3.437 -12.106 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.505 -5.171 -13.672 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.705 -6.119 -8.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.199 -7.424 -13.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.073 -8.071 -9.190 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.342 -8.734 -11.517 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.326 -1.489 -10.141 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.738 -1.155 -10.077 1.00 0.00 C ATOM 1464 C ARG A 103 -5.361 -1.208 -11.474 1.00 0.00 C ATOM 1465 O ARG A 103 -4.657 -1.090 -12.476 1.00 0.00 O ATOM 1466 CB ARG A 103 -4.947 0.241 -9.486 1.00 0.00 C ATOM 1467 CG ARG A 103 -6.047 0.227 -8.423 1.00 0.00 C ATOM 1468 CD ARG A 103 -5.679 1.127 -7.241 1.00 0.00 C ATOM 1469 NE ARG A 103 -6.843 1.954 -6.852 1.00 0.00 N ATOM 1470 CZ ARG A 103 -7.965 1.463 -6.307 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -8.080 0.147 -6.083 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -8.970 2.288 -5.986 1.00 0.00 N ATOM 0 H ARG A 103 -2.892 -1.336 -11.051 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.223 -1.888 -9.432 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.015 0.597 -9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.212 0.940 -10.279 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.986 0.563 -8.862 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.206 -0.793 -8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.357 0.518 -6.396 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.840 1.769 -7.510 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.788 2.960 -7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.314 -0.481 -6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.934 -0.227 -5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.882 3.290 -6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.824 1.915 -5.571 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.674 -1.386 -11.495 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.399 -1.457 -12.752 1.00 0.00 C ATOM 1488 C GLU A 104 -7.792 -0.053 -13.218 1.00 0.00 C ATOM 1489 O GLU A 104 -8.061 0.824 -12.398 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.629 -2.357 -12.626 1.00 0.00 C ATOM 1491 CG GLU A 104 -8.736 -3.311 -13.817 1.00 0.00 C ATOM 1492 CD GLU A 104 -9.777 -2.817 -14.824 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -10.956 -2.721 -14.420 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -9.370 -2.547 -15.974 1.00 0.00 O ATOM 0 H GLU A 104 -7.254 -1.483 -10.662 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.743 -1.898 -13.503 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.571 -2.930 -11.701 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.528 -1.744 -12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.766 -3.399 -14.305 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.008 -4.307 -13.467 1.00 0.00 H new