USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 766 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 Set 1.1: A 71 ASN : amide:sc= 1.5 K(o=3.9,f=-4!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -138:sc= 2.4 (180deg=0.309) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.648 K(o=0.65,f=-1.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 162:sc= -1.5 (180deg=-1.72) USER MOD Single : A 24 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.49) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0495) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0.491 (180deg=0.486) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0702 USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= 0.736 (180deg=0.0177) USER MOD Single : A 66 THR OG1 : rot -40:sc= 1.31 USER MOD Single : A 79 THR OG1 : rot 82:sc= 1.04 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.0042) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 30:sc= -0.206 USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= -0.11 (180deg=-0.545) USER MOD ----------------------------------------------------------------- ATOM 176 N GLU A 12 -9.932 0.408 4.452 1.00 0.00 N ATOM 177 CA GLU A 12 -8.703 1.198 4.488 1.00 0.00 C ATOM 178 C GLU A 12 -7.814 0.821 5.682 1.00 0.00 C ATOM 179 O GLU A 12 -6.618 1.091 5.644 1.00 0.00 O ATOM 180 CB GLU A 12 -9.064 2.697 4.514 1.00 0.00 C ATOM 181 CG GLU A 12 -9.716 3.185 3.203 1.00 0.00 C ATOM 182 CD GLU A 12 -10.602 4.431 3.361 1.00 0.00 C ATOM 183 OE1 GLU A 12 -10.246 5.353 4.134 1.00 0.00 O ATOM 184 OE2 GLU A 12 -11.663 4.455 2.696 1.00 0.00 O ATOM 0 HA GLU A 12 -8.124 0.981 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.745 2.886 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.162 3.279 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.930 3.402 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.318 2.377 2.788 1.00 0.00 H new ATOM 191 N SER A 13 -8.351 0.169 6.719 1.00 0.00 N ATOM 192 CA SER A 13 -7.626 -0.204 7.926 1.00 0.00 C ATOM 193 C SER A 13 -7.365 -1.711 8.011 1.00 0.00 C ATOM 194 O SER A 13 -6.336 -2.107 8.564 1.00 0.00 O ATOM 195 CB SER A 13 -8.419 0.332 9.114 1.00 0.00 C ATOM 196 OG SER A 13 -7.746 0.148 10.340 1.00 0.00 O ATOM 0 H SER A 13 -9.329 -0.119 6.737 1.00 0.00 H new ATOM 0 HA SER A 13 -6.630 0.239 7.919 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.615 1.394 8.967 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.387 -0.168 9.156 1.00 0.00 H new ATOM 0 HG SER A 13 -8.292 0.508 11.070 1.00 0.00 H new ATOM 202 N GLU A 14 -8.209 -2.572 7.428 1.00 0.00 N ATOM 203 CA GLU A 14 -7.847 -3.967 7.247 1.00 0.00 C ATOM 204 C GLU A 14 -6.652 -4.025 6.308 1.00 0.00 C ATOM 205 O GLU A 14 -5.619 -4.585 6.663 1.00 0.00 O ATOM 206 CB GLU A 14 -9.012 -4.777 6.667 1.00 0.00 C ATOM 207 CG GLU A 14 -9.968 -5.313 7.725 1.00 0.00 C ATOM 208 CD GLU A 14 -10.740 -6.505 7.186 1.00 0.00 C ATOM 209 OE1 GLU A 14 -11.455 -6.331 6.171 1.00 0.00 O ATOM 210 OE2 GLU A 14 -10.590 -7.621 7.735 1.00 0.00 O ATOM 0 H GLU A 14 -9.135 -2.323 7.080 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.599 -4.404 8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.569 -4.150 5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.612 -5.613 6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.410 -5.605 8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.662 -4.529 8.028 1.00 0.00 H new ATOM 217 N ILE A 15 -6.791 -3.419 5.126 1.00 0.00 N ATOM 218 CA ILE A 15 -5.778 -3.392 4.081 1.00 0.00 C ATOM 219 C ILE A 15 -4.462 -2.866 4.668 1.00 0.00 C ATOM 220 O ILE A 15 -3.405 -3.414 4.358 1.00 0.00 O ATOM 221 CB ILE A 15 -6.325 -2.592 2.870 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.516 -3.368 2.249 1.00 0.00 C ATOM 223 CG2 ILE A 15 -5.250 -2.332 1.802 1.00 0.00 C ATOM 224 CD1 ILE A 15 -8.348 -2.560 1.252 1.00 0.00 C ATOM 0 H ILE A 15 -7.641 -2.919 4.867 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.552 -4.389 3.702 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.652 -1.617 3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.132 -4.256 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.168 -3.712 3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.686 -1.769 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.433 -1.760 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.868 -3.283 1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.158 -3.180 0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.765 -1.685 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.714 -2.238 0.426 1.00 0.00 H new ATOM 236 N GLN A 16 -4.514 -1.874 5.566 1.00 0.00 N ATOM 237 CA GLN A 16 -3.344 -1.346 6.240 1.00 0.00 C ATOM 238 C GLN A 16 -2.577 -2.422 7.010 1.00 0.00 C ATOM 239 O GLN A 16 -1.353 -2.509 6.878 1.00 0.00 O ATOM 240 CB GLN A 16 -3.755 -0.160 7.124 1.00 0.00 C ATOM 241 CG GLN A 16 -2.574 0.702 7.612 1.00 0.00 C ATOM 242 CD GLN A 16 -2.272 0.620 9.113 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.121 0.231 9.918 1.00 0.00 O ATOM 244 NE2 GLN A 16 -1.096 1.054 9.531 1.00 0.00 N ATOM 0 H GLN A 16 -5.384 -1.418 5.841 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.642 -0.985 5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.446 0.472 6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.297 -0.538 7.991 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.680 0.407 7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.776 1.742 7.356 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.401 1.373 8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.883 1.069 10.528 1.00 0.00 H new ATOM 253 N LYS A 17 -3.274 -3.248 7.797 1.00 0.00 N ATOM 254 CA LYS A 17 -2.636 -4.255 8.636 1.00 0.00 C ATOM 255 C LYS A 17 -2.140 -5.400 7.772 1.00 0.00 C ATOM 256 O LYS A 17 -1.043 -5.910 7.998 1.00 0.00 O ATOM 257 CB LYS A 17 -3.633 -4.774 9.684 1.00 0.00 C ATOM 258 CG LYS A 17 -2.977 -4.828 11.075 1.00 0.00 C ATOM 259 CD LYS A 17 -3.738 -5.697 12.083 1.00 0.00 C ATOM 260 CE LYS A 17 -3.552 -7.208 11.854 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.272 -8.026 12.860 1.00 0.00 N ATOM 0 H LYS A 17 -4.292 -3.234 7.867 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.788 -3.807 9.153 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.508 -4.125 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.982 -5.767 9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.961 -5.210 10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.898 -3.815 11.469 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.406 -5.447 13.090 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.800 -5.457 12.029 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.907 -7.468 10.857 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.490 -7.449 11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.116 -9.035 12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.916 -7.800 13.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.290 -7.818 12.813 1.00 0.00 H new ATOM 275 N LEU A 18 -2.955 -5.805 6.797 1.00 0.00 N ATOM 276 CA LEU A 18 -2.637 -6.896 5.891 1.00 0.00 C ATOM 277 C LEU A 18 -1.357 -6.575 5.121 1.00 0.00 C ATOM 278 O LEU A 18 -0.497 -7.436 4.986 1.00 0.00 O ATOM 279 CB LEU A 18 -3.808 -7.166 4.931 1.00 0.00 C ATOM 280 CG LEU A 18 -5.104 -7.649 5.615 1.00 0.00 C ATOM 281 CD1 LEU A 18 -6.226 -7.730 4.578 1.00 0.00 C ATOM 282 CD2 LEU A 18 -4.944 -8.980 6.341 1.00 0.00 C ATOM 0 H LEU A 18 -3.863 -5.376 6.617 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.473 -7.802 6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.024 -6.252 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.497 -7.914 4.202 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.356 -6.918 6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.142 -8.071 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.390 -6.745 4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.946 -8.432 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.892 -9.261 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.643 -9.749 5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.182 -8.883 7.114 1.00 0.00 H new ATOM 294 N LEU A 19 -1.205 -5.340 4.635 1.00 0.00 N ATOM 295 CA LEU A 19 0.006 -4.905 3.945 1.00 0.00 C ATOM 296 C LEU A 19 1.223 -5.000 4.871 1.00 0.00 C ATOM 297 O LEU A 19 2.271 -5.464 4.439 1.00 0.00 O ATOM 298 CB LEU A 19 -0.181 -3.475 3.411 1.00 0.00 C ATOM 299 CG LEU A 19 -1.010 -3.399 2.110 1.00 0.00 C ATOM 300 CD1 LEU A 19 -1.569 -1.992 1.896 1.00 0.00 C ATOM 301 CD2 LEU A 19 -0.166 -3.759 0.883 1.00 0.00 C ATOM 0 H LEU A 19 -1.920 -4.616 4.710 1.00 0.00 H new ATOM 0 HA LEU A 19 0.188 -5.567 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.668 -2.872 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.799 -3.033 3.233 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.824 -4.116 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.148 -1.967 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.211 -1.724 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.746 -1.280 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.782 -3.695 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.670 -3.064 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.216 -4.774 0.989 1.00 0.00 H new ATOM 313 N MET A 20 1.129 -4.577 6.132 1.00 0.00 N ATOM 314 CA MET A 20 2.259 -4.654 7.063 1.00 0.00 C ATOM 315 C MET A 20 2.671 -6.105 7.328 1.00 0.00 C ATOM 316 O MET A 20 3.852 -6.435 7.268 1.00 0.00 O ATOM 317 CB MET A 20 1.872 -3.957 8.374 1.00 0.00 C ATOM 318 CG MET A 20 1.789 -2.428 8.249 1.00 0.00 C ATOM 319 SD MET A 20 3.272 -1.473 8.687 1.00 0.00 S ATOM 320 CE MET A 20 4.522 -2.086 7.523 1.00 0.00 C ATOM 0 H MET A 20 0.281 -4.177 6.534 1.00 0.00 H new ATOM 0 HA MET A 20 3.117 -4.152 6.616 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.908 -4.340 8.710 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.602 -4.213 9.142 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.525 -2.188 7.219 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.968 -2.082 8.877 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.349 -1.378 7.472 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.892 -3.053 7.863 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.076 -2.195 6.534 1.00 0.00 H new ATOM 330 N GLU A 21 1.701 -6.980 7.565 1.00 0.00 N ATOM 331 CA GLU A 21 1.900 -8.423 7.659 1.00 0.00 C ATOM 332 C GLU A 21 2.651 -8.959 6.434 1.00 0.00 C ATOM 333 O GLU A 21 3.678 -9.629 6.570 1.00 0.00 O ATOM 334 CB GLU A 21 0.525 -9.093 7.816 1.00 0.00 C ATOM 335 CG GLU A 21 0.300 -9.658 9.220 1.00 0.00 C ATOM 336 CD GLU A 21 0.496 -11.170 9.239 1.00 0.00 C ATOM 337 OE1 GLU A 21 1.610 -11.640 8.918 1.00 0.00 O ATOM 338 OE2 GLU A 21 -0.494 -11.881 9.530 1.00 0.00 O ATOM 0 H GLU A 21 0.730 -6.700 7.701 1.00 0.00 H new ATOM 0 HA GLU A 21 2.517 -8.655 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.256 -8.367 7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.432 -9.897 7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.992 -9.189 9.920 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.708 -9.414 9.557 1.00 0.00 H new ATOM 345 N ALA A 22 2.174 -8.619 5.233 1.00 0.00 N ATOM 346 CA ALA A 22 2.799 -9.044 3.994 1.00 0.00 C ATOM 347 C ALA A 22 4.248 -8.566 3.913 1.00 0.00 C ATOM 348 O ALA A 22 5.086 -9.275 3.359 1.00 0.00 O ATOM 349 CB ALA A 22 2.027 -8.499 2.792 1.00 0.00 C ATOM 0 H ALA A 22 1.344 -8.041 5.101 1.00 0.00 H new ATOM 0 HA ALA A 22 2.785 -10.134 3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.509 -8.827 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.003 -8.871 2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.018 -7.410 2.829 1.00 0.00 H new ATOM 355 N LEU A 23 4.547 -7.356 4.397 1.00 0.00 N ATOM 356 CA LEU A 23 5.892 -6.794 4.405 1.00 0.00 C ATOM 357 C LEU A 23 6.824 -7.657 5.253 1.00 0.00 C ATOM 358 O LEU A 23 7.941 -7.951 4.812 1.00 0.00 O ATOM 359 CB LEU A 23 5.861 -5.327 4.914 1.00 0.00 C ATOM 360 CG LEU A 23 7.270 -4.759 5.141 1.00 0.00 C ATOM 361 CD1 LEU A 23 7.952 -4.550 3.791 1.00 0.00 C ATOM 362 CD2 LEU A 23 7.224 -3.453 5.934 1.00 0.00 C ATOM 0 H LEU A 23 3.846 -6.733 4.800 1.00 0.00 H new ATOM 0 HA LEU A 23 6.278 -6.787 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.333 -4.705 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.298 -5.280 5.846 1.00 0.00 H new ATOM 0 HG LEU A 23 7.845 -5.473 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.953 -4.147 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.023 -5.503 3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.368 -3.850 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.238 -3.078 6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.638 -2.715 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.763 -3.633 6.905 1.00 0.00 H new ATOM 374 N GLN A 24 6.413 -8.037 6.463 1.00 0.00 N ATOM 375 CA GLN A 24 7.292 -8.763 7.366 1.00 0.00 C ATOM 376 C GLN A 24 7.723 -10.127 6.818 1.00 0.00 C ATOM 377 O GLN A 24 8.790 -10.608 7.199 1.00 0.00 O ATOM 378 CB GLN A 24 6.606 -8.892 8.730 1.00 0.00 C ATOM 379 CG GLN A 24 6.454 -7.521 9.405 1.00 0.00 C ATOM 380 CD GLN A 24 7.791 -6.842 9.726 1.00 0.00 C ATOM 381 OE1 GLN A 24 8.825 -7.480 9.918 1.00 0.00 O ATOM 382 NE2 GLN A 24 7.818 -5.524 9.753 1.00 0.00 N ATOM 0 H GLN A 24 5.481 -7.853 6.835 1.00 0.00 H new ATOM 0 HA GLN A 24 8.215 -8.193 7.472 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.625 -9.350 8.605 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.187 -9.554 9.372 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.872 -6.868 8.755 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.886 -7.641 10.328 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.962 -4.993 9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.695 -5.035 9.933 1.00 0.00 H new ATOM 391 N GLN A 25 6.962 -10.728 5.899 1.00 0.00 N ATOM 392 CA GLN A 25 7.276 -12.031 5.309 1.00 0.00 C ATOM 393 C GLN A 25 7.662 -11.939 3.824 1.00 0.00 C ATOM 394 O GLN A 25 7.806 -12.958 3.150 1.00 0.00 O ATOM 395 CB GLN A 25 6.102 -12.982 5.559 1.00 0.00 C ATOM 396 CG GLN A 25 5.892 -13.257 7.062 1.00 0.00 C ATOM 397 CD GLN A 25 5.447 -14.691 7.335 1.00 0.00 C ATOM 398 OE1 GLN A 25 4.472 -15.185 6.778 1.00 0.00 O ATOM 399 NE2 GLN A 25 6.146 -15.408 8.194 1.00 0.00 N ATOM 0 H GLN A 25 6.100 -10.318 5.540 1.00 0.00 H new ATOM 0 HA GLN A 25 8.165 -12.431 5.796 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.192 -12.554 5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.281 -13.923 5.040 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.820 -13.059 7.598 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.145 -12.567 7.454 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.957 -14.999 8.658 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.875 -16.371 8.394 1.00 0.00 H new ATOM 408 N LEU A 26 7.833 -10.725 3.304 1.00 0.00 N ATOM 409 CA LEU A 26 8.086 -10.422 1.900 1.00 0.00 C ATOM 410 C LEU A 26 9.370 -11.047 1.333 1.00 0.00 C ATOM 411 O LEU A 26 9.433 -11.286 0.125 1.00 0.00 O ATOM 412 CB LEU A 26 8.053 -8.890 1.772 1.00 0.00 C ATOM 413 CG LEU A 26 8.502 -8.310 0.437 1.00 0.00 C ATOM 414 CD1 LEU A 26 7.714 -8.792 -0.778 1.00 0.00 C ATOM 415 CD2 LEU A 26 8.508 -6.780 0.499 1.00 0.00 C ATOM 0 H LEU A 26 7.797 -9.885 3.881 1.00 0.00 H new ATOM 0 HA LEU A 26 7.313 -10.882 1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.034 -8.553 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.682 -8.468 2.556 1.00 0.00 H new ATOM 0 HG LEU A 26 9.513 -8.689 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.110 -8.322 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.804 -9.875 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.664 -8.524 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.831 -6.378 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.504 -6.421 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.194 -6.450 1.279 1.00 0.00 H new ATOM 427 N ARG A 27 10.396 -11.314 2.149 1.00 0.00 N ATOM 428 CA ARG A 27 11.731 -11.740 1.692 1.00 0.00 C ATOM 429 C ARG A 27 12.209 -10.901 0.512 1.00 0.00 C ATOM 430 O ARG A 27 12.657 -11.400 -0.525 1.00 0.00 O ATOM 431 CB ARG A 27 11.798 -13.260 1.452 1.00 0.00 C ATOM 432 CG ARG A 27 11.573 -14.003 2.773 1.00 0.00 C ATOM 433 CD ARG A 27 11.908 -15.490 2.690 1.00 0.00 C ATOM 434 NE ARG A 27 11.842 -16.079 4.034 1.00 0.00 N ATOM 435 CZ ARG A 27 12.773 -15.983 4.990 1.00 0.00 C ATOM 436 NH1 ARG A 27 13.956 -15.437 4.724 1.00 0.00 N ATOM 437 NH2 ARG A 27 12.486 -16.400 6.216 1.00 0.00 N ATOM 0 H ARG A 27 10.324 -11.240 3.164 1.00 0.00 H new ATOM 0 HA ARG A 27 12.442 -11.549 2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.043 -13.556 0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.768 -13.529 1.033 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.183 -13.542 3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.532 -13.888 3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.208 -15.995 2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.904 -15.627 2.269 1.00 0.00 H new ATOM 0 HE ARG A 27 11.004 -16.614 4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.158 -15.089 3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.662 -15.367 5.457 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.565 -16.788 6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.186 -16.333 6.955 1.00 0.00 H new ATOM 451 N ASP A 28 12.051 -9.595 0.663 1.00 0.00 N ATOM 452 CA ASP A 28 12.696 -8.548 -0.118 1.00 0.00 C ATOM 453 C ASP A 28 14.206 -8.811 -0.183 1.00 0.00 C ATOM 454 O ASP A 28 14.774 -9.303 0.794 1.00 0.00 O ATOM 455 CB ASP A 28 12.442 -7.211 0.587 1.00 0.00 C ATOM 456 CG ASP A 28 12.745 -7.298 2.086 1.00 0.00 C ATOM 457 OD1 ASP A 28 11.861 -7.773 2.845 1.00 0.00 O ATOM 458 OD2 ASP A 28 13.866 -6.967 2.522 1.00 0.00 O ATOM 0 H ASP A 28 11.431 -9.213 1.378 1.00 0.00 H new ATOM 0 HA ASP A 28 12.296 -8.529 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.061 -6.437 0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.403 -6.914 0.442 1.00 0.00 H new ATOM 463 N PRO A 29 14.888 -8.506 -1.300 1.00 0.00 N ATOM 464 CA PRO A 29 16.326 -8.720 -1.422 1.00 0.00 C ATOM 465 C PRO A 29 17.152 -7.718 -0.606 1.00 0.00 C ATOM 466 O PRO A 29 18.172 -8.114 -0.041 1.00 0.00 O ATOM 467 CB PRO A 29 16.636 -8.631 -2.918 1.00 0.00 C ATOM 468 CG PRO A 29 15.528 -7.726 -3.443 1.00 0.00 C ATOM 469 CD PRO A 29 14.328 -8.123 -2.587 1.00 0.00 C ATOM 0 HA PRO A 29 16.603 -9.691 -1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 29 17.624 -8.208 -3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 29 16.616 -9.612 -3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.778 -6.672 -3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.340 -7.892 -4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.628 -7.294 -2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.778 -8.949 -3.039 1.00 0.00 H new ATOM 477 N ARG A 30 16.766 -6.437 -0.558 1.00 0.00 N ATOM 478 CA ARG A 30 17.474 -5.370 0.145 1.00 0.00 C ATOM 479 C ARG A 30 16.507 -4.206 0.402 1.00 0.00 C ATOM 480 O ARG A 30 16.600 -3.151 -0.235 1.00 0.00 O ATOM 481 CB ARG A 30 18.686 -4.889 -0.677 1.00 0.00 C ATOM 482 CG ARG A 30 20.040 -5.530 -0.331 1.00 0.00 C ATOM 483 CD ARG A 30 21.094 -4.589 -0.917 1.00 0.00 C ATOM 484 NE ARG A 30 22.485 -5.005 -0.728 1.00 0.00 N ATOM 485 CZ ARG A 30 23.518 -4.181 -0.939 1.00 0.00 C ATOM 486 NH1 ARG A 30 23.328 -2.936 -1.375 1.00 0.00 N ATOM 487 NH2 ARG A 30 24.750 -4.600 -0.698 1.00 0.00 N ATOM 0 H ARG A 30 15.921 -6.108 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 30 17.843 -5.752 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.479 -5.073 -1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.777 -3.810 -0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 30 20.162 -5.634 0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.123 -6.529 -0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 30 20.907 -4.482 -1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.964 -3.603 -0.471 1.00 0.00 H new ATOM 0 HE ARG A 30 22.674 -5.960 -0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 30 22.383 -2.597 -1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 30 24.128 -2.322 -1.530 1.00 0.00 H new ATOM 0 HH21 ARG A 30 24.908 -5.547 -0.353 1.00 0.00 H new ATOM 0 HH22 ARG A 30 25.541 -3.976 -0.857 1.00 0.00 H new ATOM 501 N LEU A 31 15.605 -4.374 1.363 1.00 0.00 N ATOM 502 CA LEU A 31 14.707 -3.317 1.819 1.00 0.00 C ATOM 503 C LEU A 31 14.939 -3.066 3.298 1.00 0.00 C ATOM 504 O LEU A 31 15.023 -3.996 4.102 1.00 0.00 O ATOM 505 CB LEU A 31 13.272 -3.735 1.516 1.00 0.00 C ATOM 506 CG LEU A 31 12.156 -2.929 2.187 1.00 0.00 C ATOM 507 CD1 LEU A 31 12.106 -1.481 1.693 1.00 0.00 C ATOM 508 CD2 LEU A 31 10.871 -3.721 1.924 1.00 0.00 C ATOM 0 H LEU A 31 15.475 -5.259 1.854 1.00 0.00 H new ATOM 0 HA LEU A 31 14.902 -2.380 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.125 -3.684 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.156 -4.780 1.804 1.00 0.00 H new ATOM 0 HG LEU A 31 12.320 -2.817 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.298 -0.952 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.054 -0.989 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.930 -1.469 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.025 -3.203 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.711 -3.808 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.962 -4.716 2.359 1.00 0.00 H new ATOM 520 N LYS A 32 15.059 -1.792 3.655 1.00 0.00 N ATOM 521 CA LYS A 32 15.259 -1.331 5.014 1.00 0.00 C ATOM 522 C LYS A 32 13.923 -1.216 5.751 1.00 0.00 C ATOM 523 O LYS A 32 13.441 -0.114 6.031 1.00 0.00 O ATOM 524 CB LYS A 32 15.984 0.007 4.948 1.00 0.00 C ATOM 525 CG LYS A 32 17.414 -0.101 4.409 1.00 0.00 C ATOM 526 CD LYS A 32 18.103 1.268 4.439 1.00 0.00 C ATOM 527 CE LYS A 32 19.598 1.147 4.142 1.00 0.00 C ATOM 528 NZ LYS A 32 19.882 0.485 2.850 1.00 0.00 N ATOM 0 H LYS A 32 15.018 -1.030 2.979 1.00 0.00 H new ATOM 0 HA LYS A 32 15.861 -2.045 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.416 0.689 4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.012 0.446 5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.982 -0.814 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.397 -0.484 3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 32 17.637 1.927 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.961 1.727 5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 32 20.043 2.142 4.139 1.00 0.00 H new ATOM 0 HE3 LYS A 32 20.077 0.586 4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.896 0.568 2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.622 -0.520 2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.329 0.941 2.097 1.00 0.00 H new ATOM 542 N LYS A 33 13.310 -2.352 6.080 1.00 0.00 N ATOM 543 CA LYS A 33 12.030 -2.416 6.777 1.00 0.00 C ATOM 544 C LYS A 33 12.053 -1.701 8.124 1.00 0.00 C ATOM 545 O LYS A 33 11.022 -1.197 8.562 1.00 0.00 O ATOM 546 CB LYS A 33 11.624 -3.876 6.932 1.00 0.00 C ATOM 547 CG LYS A 33 11.609 -4.555 5.555 1.00 0.00 C ATOM 548 CD LYS A 33 10.975 -5.941 5.583 1.00 0.00 C ATOM 549 CE LYS A 33 11.936 -6.965 6.179 1.00 0.00 C ATOM 550 NZ LYS A 33 13.072 -7.284 5.291 1.00 0.00 N ATOM 0 H LYS A 33 13.698 -3.270 5.865 1.00 0.00 H new ATOM 0 HA LYS A 33 11.289 -1.888 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.321 -4.389 7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.638 -3.943 7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.064 -3.926 4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.631 -4.636 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.056 -5.914 6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.699 -6.240 4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.319 -6.585 7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.389 -7.881 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.723 -7.932 5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.718 -7.736 4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.576 -6.408 5.044 1.00 0.00 H new ATOM 564 N ASP A 34 13.231 -1.591 8.732 1.00 0.00 N ATOM 565 CA ASP A 34 13.456 -0.919 10.020 1.00 0.00 C ATOM 566 C ASP A 34 13.058 0.563 10.023 1.00 0.00 C ATOM 567 O ASP A 34 13.072 1.169 11.094 1.00 0.00 O ATOM 568 CB ASP A 34 14.925 -1.060 10.478 1.00 0.00 C ATOM 569 CG ASP A 34 15.157 -2.095 11.581 1.00 0.00 C ATOM 570 OD1 ASP A 34 14.262 -2.416 12.398 1.00 0.00 O ATOM 571 OD2 ASP A 34 16.267 -2.674 11.578 1.00 0.00 O ATOM 0 H ASP A 34 14.087 -1.978 8.333 1.00 0.00 H new ATOM 0 HA ASP A 34 12.799 -1.428 10.725 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.536 -1.326 9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.276 -0.090 10.830 1.00 0.00 H new ATOM 576 N PHE A 35 12.687 1.167 8.884 1.00 0.00 N ATOM 577 CA PHE A 35 12.249 2.565 8.834 1.00 0.00 C ATOM 578 C PHE A 35 10.908 2.753 8.122 1.00 0.00 C ATOM 579 O PHE A 35 10.478 3.894 7.954 1.00 0.00 O ATOM 580 CB PHE A 35 13.346 3.387 8.153 1.00 0.00 C ATOM 581 CG PHE A 35 14.725 3.132 8.718 1.00 0.00 C ATOM 582 CD1 PHE A 35 15.176 3.812 9.857 1.00 0.00 C ATOM 583 CD2 PHE A 35 15.537 2.157 8.119 1.00 0.00 C ATOM 584 CE1 PHE A 35 16.432 3.504 10.393 1.00 0.00 C ATOM 585 CE2 PHE A 35 16.791 1.832 8.662 1.00 0.00 C ATOM 586 CZ PHE A 35 17.236 2.510 9.810 1.00 0.00 C ATOM 0 H PHE A 35 12.683 0.700 7.977 1.00 0.00 H new ATOM 0 HA PHE A 35 12.087 2.908 9.856 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.351 3.160 7.087 1.00 0.00 H new ATOM 0 HB3 PHE A 35 13.111 4.447 8.253 1.00 0.00 H new ATOM 0 HD1 PHE A 35 14.559 4.569 10.318 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.194 1.650 7.229 1.00 0.00 H new ATOM 0 HE1 PHE A 35 16.787 4.036 11.264 1.00 0.00 H new ATOM 0 HE2 PHE A 35 17.405 1.071 8.203 1.00 0.00 H new ATOM 0 HZ PHE A 35 18.195 2.267 10.244 1.00 0.00 H new ATOM 596 N VAL A 36 10.253 1.688 7.662 1.00 0.00 N ATOM 597 CA VAL A 36 9.069 1.796 6.820 1.00 0.00 C ATOM 598 C VAL A 36 7.825 1.586 7.671 1.00 0.00 C ATOM 599 O VAL A 36 7.705 0.580 8.374 1.00 0.00 O ATOM 600 CB VAL A 36 9.152 0.767 5.678 1.00 0.00 C ATOM 601 CG1 VAL A 36 7.846 0.714 4.869 1.00 0.00 C ATOM 602 CG2 VAL A 36 10.295 1.104 4.709 1.00 0.00 C ATOM 0 H VAL A 36 10.530 0.727 7.864 1.00 0.00 H new ATOM 0 HA VAL A 36 9.014 2.789 6.374 1.00 0.00 H new ATOM 0 HB VAL A 36 9.332 -0.200 6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.942 -0.023 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.022 0.434 5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.647 1.694 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.329 0.360 3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.127 2.090 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.242 1.101 5.249 1.00 0.00 H new ATOM 612 N THR A 37 6.848 2.477 7.514 1.00 0.00 N ATOM 613 CA THR A 37 5.480 2.198 7.897 1.00 0.00 C ATOM 614 C THR A 37 4.571 2.591 6.730 1.00 0.00 C ATOM 615 O THR A 37 4.996 3.282 5.794 1.00 0.00 O ATOM 616 CB THR A 37 5.166 2.906 9.230 1.00 0.00 C ATOM 617 OG1 THR A 37 4.129 2.199 9.877 1.00 0.00 O ATOM 618 CG2 THR A 37 4.780 4.378 9.062 1.00 0.00 C ATOM 0 H THR A 37 6.989 3.407 7.119 1.00 0.00 H new ATOM 0 HA THR A 37 5.308 1.138 8.086 1.00 0.00 H new ATOM 0 HB THR A 37 6.076 2.904 9.830 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.917 2.635 10.729 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.573 4.814 10.039 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.601 4.918 8.591 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.891 4.452 8.436 1.00 0.00 H new ATOM 626 N PHE A 38 3.317 2.157 6.800 1.00 0.00 N ATOM 627 CA PHE A 38 2.247 2.505 5.886 1.00 0.00 C ATOM 628 C PHE A 38 1.159 3.105 6.771 1.00 0.00 C ATOM 629 O PHE A 38 0.582 2.390 7.598 1.00 0.00 O ATOM 630 CB PHE A 38 1.749 1.262 5.133 1.00 0.00 C ATOM 631 CG PHE A 38 2.763 0.328 4.480 1.00 0.00 C ATOM 632 CD1 PHE A 38 3.875 0.824 3.776 1.00 0.00 C ATOM 633 CD2 PHE A 38 2.554 -1.065 4.535 1.00 0.00 C ATOM 634 CE1 PHE A 38 4.778 -0.063 3.156 1.00 0.00 C ATOM 635 CE2 PHE A 38 3.455 -1.953 3.921 1.00 0.00 C ATOM 636 CZ PHE A 38 4.573 -1.451 3.238 1.00 0.00 C ATOM 0 H PHE A 38 3.009 1.521 7.535 1.00 0.00 H new ATOM 0 HA PHE A 38 2.567 3.206 5.115 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.161 0.669 5.833 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.068 1.603 4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.038 1.890 3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.691 -1.455 5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.629 0.325 2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.287 -3.018 3.975 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.275 -2.130 2.776 1.00 0.00 H new ATOM 646 N SER A 39 0.954 4.417 6.671 1.00 0.00 N ATOM 647 CA SER A 39 0.111 5.165 7.587 1.00 0.00 C ATOM 648 C SER A 39 -1.184 5.524 6.868 1.00 0.00 C ATOM 649 O SER A 39 -2.238 4.966 7.175 1.00 0.00 O ATOM 650 CB SER A 39 0.884 6.378 8.130 1.00 0.00 C ATOM 651 OG SER A 39 1.613 7.051 7.110 1.00 0.00 O ATOM 0 H SER A 39 1.376 4.992 5.942 1.00 0.00 H new ATOM 0 HA SER A 39 -0.161 4.572 8.460 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.185 7.074 8.594 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.572 6.049 8.909 1.00 0.00 H new ATOM 0 HG SER A 39 2.088 7.816 7.498 1.00 0.00 H new ATOM 657 N ARG A 40 -1.112 6.420 5.879 1.00 0.00 N ATOM 658 CA ARG A 40 -2.276 6.843 5.104 1.00 0.00 C ATOM 659 C ARG A 40 -2.590 5.783 4.043 1.00 0.00 C ATOM 660 O ARG A 40 -1.678 5.247 3.409 1.00 0.00 O ATOM 661 CB ARG A 40 -2.042 8.270 4.562 1.00 0.00 C ATOM 662 CG ARG A 40 -3.029 8.767 3.482 1.00 0.00 C ATOM 663 CD ARG A 40 -3.750 10.072 3.846 1.00 0.00 C ATOM 664 NE ARG A 40 -2.802 11.194 3.873 1.00 0.00 N ATOM 665 CZ ARG A 40 -2.237 11.753 2.799 1.00 0.00 C ATOM 666 NH1 ARG A 40 -2.711 11.523 1.574 1.00 0.00 N ATOM 667 NH2 ARG A 40 -1.161 12.511 2.978 1.00 0.00 N ATOM 0 H ARG A 40 -0.243 6.871 5.595 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.171 6.912 5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.077 8.964 5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.034 8.318 4.151 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.486 8.913 2.548 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.773 7.992 3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.539 10.273 3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.230 9.970 4.820 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.555 11.577 4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.517 10.912 1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.267 11.958 0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.788 12.653 3.917 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.708 12.951 2.177 1.00 0.00 H new ATOM 681 N VAL A 41 -3.878 5.500 3.851 1.00 0.00 N ATOM 682 CA VAL A 41 -4.417 4.516 2.923 1.00 0.00 C ATOM 683 C VAL A 41 -5.728 5.109 2.380 1.00 0.00 C ATOM 684 O VAL A 41 -6.590 5.503 3.173 1.00 0.00 O ATOM 685 CB VAL A 41 -4.629 3.180 3.684 1.00 0.00 C ATOM 686 CG1 VAL A 41 -5.164 2.075 2.768 1.00 0.00 C ATOM 687 CG2 VAL A 41 -3.335 2.642 4.322 1.00 0.00 C ATOM 0 H VAL A 41 -4.612 5.981 4.371 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.750 4.300 2.088 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.353 3.422 4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.297 1.159 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.122 2.382 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.454 1.897 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.546 1.706 4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.592 2.466 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.950 3.372 5.034 1.00 0.00 H new ATOM 697 N GLU A 42 -5.899 5.205 1.057 1.00 0.00 N ATOM 698 CA GLU A 42 -7.161 5.580 0.408 1.00 0.00 C ATOM 699 C GLU A 42 -7.535 4.496 -0.600 1.00 0.00 C ATOM 700 O GLU A 42 -6.656 3.868 -1.189 1.00 0.00 O ATOM 701 CB GLU A 42 -7.052 6.936 -0.332 1.00 0.00 C ATOM 702 CG GLU A 42 -7.765 8.101 0.374 1.00 0.00 C ATOM 703 CD GLU A 42 -8.523 9.006 -0.610 1.00 0.00 C ATOM 704 OE1 GLU A 42 -7.944 9.998 -1.122 1.00 0.00 O ATOM 705 OE2 GLU A 42 -9.744 8.794 -0.812 1.00 0.00 O ATOM 0 H GLU A 42 -5.147 5.020 0.393 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.923 5.680 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.998 7.188 -0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.467 6.825 -1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.464 7.703 1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.032 8.695 0.919 1.00 0.00 H new ATOM 712 N LEU A 43 -8.831 4.303 -0.861 1.00 0.00 N ATOM 713 CA LEU A 43 -9.308 3.441 -1.921 1.00 0.00 C ATOM 714 C LEU A 43 -10.301 4.190 -2.795 1.00 0.00 C ATOM 715 O LEU A 43 -10.986 5.122 -2.350 1.00 0.00 O ATOM 716 CB LEU A 43 -9.962 2.195 -1.315 1.00 0.00 C ATOM 717 CG LEU A 43 -8.971 1.035 -1.113 1.00 0.00 C ATOM 718 CD1 LEU A 43 -8.462 0.994 0.332 1.00 0.00 C ATOM 719 CD2 LEU A 43 -9.611 -0.300 -1.487 1.00 0.00 C ATOM 0 H LEU A 43 -9.579 4.750 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.466 3.132 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.408 2.456 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.773 1.864 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.120 1.206 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.763 0.165 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.956 1.931 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.304 0.857 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.891 -1.104 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.485 -0.473 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.915 -0.277 -2.534 1.00 0.00 H new ATOM 731 N SER A 44 -10.403 3.736 -4.040 1.00 0.00 N ATOM 732 CA SER A 44 -11.220 4.359 -5.063 1.00 0.00 C ATOM 733 C SER A 44 -12.717 4.140 -4.793 1.00 0.00 C ATOM 734 O SER A 44 -13.110 3.376 -3.905 1.00 0.00 O ATOM 735 CB SER A 44 -10.786 3.784 -6.413 1.00 0.00 C ATOM 736 OG SER A 44 -11.083 4.678 -7.463 1.00 0.00 O ATOM 0 H SER A 44 -9.908 2.907 -4.368 1.00 0.00 H new ATOM 0 HA SER A 44 -11.075 5.439 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.716 3.579 -6.397 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.290 2.833 -6.586 1.00 0.00 H new ATOM 0 HG SER A 44 -10.944 4.230 -8.323 1.00 0.00 H new ATOM 742 N LYS A 45 -13.567 4.781 -5.597 1.00 0.00 N ATOM 743 CA LYS A 45 -15.025 4.744 -5.477 1.00 0.00 C ATOM 744 C LYS A 45 -15.595 3.332 -5.535 1.00 0.00 C ATOM 745 O LYS A 45 -16.433 2.966 -4.713 1.00 0.00 O ATOM 746 CB LYS A 45 -15.666 5.620 -6.574 1.00 0.00 C ATOM 747 CG LYS A 45 -16.361 6.846 -5.983 1.00 0.00 C ATOM 748 CD LYS A 45 -17.581 6.478 -5.124 1.00 0.00 C ATOM 749 CE LYS A 45 -18.047 7.677 -4.299 1.00 0.00 C ATOM 750 NZ LYS A 45 -18.592 8.751 -5.147 1.00 0.00 N ATOM 0 H LYS A 45 -13.249 5.359 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.270 5.140 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.899 5.941 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.388 5.028 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.649 7.405 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.676 7.505 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.393 6.135 -5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.328 5.651 -4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.808 7.355 -3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.211 8.064 -3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.896 9.545 -4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.859 9.077 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.406 8.390 -5.684 1.00 0.00 H new ATOM 764 N ASP A 46 -15.141 2.538 -6.502 1.00 0.00 N ATOM 765 CA ASP A 46 -15.466 1.116 -6.649 1.00 0.00 C ATOM 766 C ASP A 46 -14.277 0.280 -6.159 1.00 0.00 C ATOM 767 O ASP A 46 -14.082 -0.850 -6.599 1.00 0.00 O ATOM 768 CB ASP A 46 -15.866 0.800 -8.106 1.00 0.00 C ATOM 769 CG ASP A 46 -17.359 1.010 -8.352 1.00 0.00 C ATOM 770 OD1 ASP A 46 -18.134 0.041 -8.173 1.00 0.00 O ATOM 771 OD2 ASP A 46 -17.741 2.123 -8.789 1.00 0.00 O ATOM 0 H ASP A 46 -14.514 2.876 -7.232 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.329 0.858 -6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.295 1.435 -8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.603 -0.232 -8.338 1.00 0.00 H new ATOM 776 N LYS A 47 -13.442 0.849 -5.272 1.00 0.00 N ATOM 777 CA LYS A 47 -12.240 0.234 -4.695 1.00 0.00 C ATOM 778 C LYS A 47 -11.302 -0.333 -5.770 1.00 0.00 C ATOM 779 O LYS A 47 -10.567 -1.277 -5.508 1.00 0.00 O ATOM 780 CB LYS A 47 -12.655 -0.815 -3.647 1.00 0.00 C ATOM 781 CG LYS A 47 -13.542 -0.267 -2.514 1.00 0.00 C ATOM 782 CD LYS A 47 -14.842 -1.071 -2.437 1.00 0.00 C ATOM 783 CE LYS A 47 -15.730 -0.597 -1.287 1.00 0.00 C ATOM 784 NZ LYS A 47 -17.123 -1.053 -1.462 1.00 0.00 N ATOM 0 H LYS A 47 -13.597 1.795 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.657 1.005 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.187 -1.622 -4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.756 -1.249 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.011 -0.325 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.765 0.785 -2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.384 -0.978 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.610 -2.128 -2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.338 -0.974 -0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.706 0.491 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.701 -0.716 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.504 -0.673 -2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.147 -2.092 -1.491 1.00 0.00 H new ATOM 798 N ARG A 48 -11.326 0.229 -6.985 1.00 0.00 N ATOM 799 CA ARG A 48 -10.529 -0.231 -8.127 1.00 0.00 C ATOM 800 C ARG A 48 -9.036 0.053 -7.985 1.00 0.00 C ATOM 801 O ARG A 48 -8.218 -0.551 -8.681 1.00 0.00 O ATOM 802 CB ARG A 48 -11.057 0.413 -9.421 1.00 0.00 C ATOM 803 CG ARG A 48 -12.471 -0.088 -9.754 1.00 0.00 C ATOM 804 CD ARG A 48 -12.873 0.218 -11.199 1.00 0.00 C ATOM 805 NE ARG A 48 -13.657 1.450 -11.355 1.00 0.00 N ATOM 806 CZ ARG A 48 -14.348 1.749 -12.463 1.00 0.00 C ATOM 807 NH1 ARG A 48 -14.170 1.049 -13.580 1.00 0.00 N ATOM 808 NH2 ARG A 48 -15.223 2.743 -12.436 1.00 0.00 N ATOM 0 H ARG A 48 -11.913 1.034 -7.205 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.637 -1.315 -8.163 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.069 1.497 -9.312 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.383 0.183 -10.246 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.521 -1.164 -9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.187 0.375 -9.075 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.972 0.294 -11.807 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.451 -0.620 -11.589 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.676 2.112 -10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.503 0.277 -13.598 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.701 1.284 -14.419 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.366 3.273 -11.577 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.754 2.978 -13.275 1.00 0.00 H new ATOM 822 N TYR A 49 -8.680 0.970 -7.092 1.00 0.00 N ATOM 823 CA TYR A 49 -7.317 1.354 -6.787 1.00 0.00 C ATOM 824 C TYR A 49 -7.207 1.415 -5.281 1.00 0.00 C ATOM 825 O TYR A 49 -8.215 1.647 -4.597 1.00 0.00 O ATOM 826 CB TYR A 49 -6.975 2.707 -7.426 1.00 0.00 C ATOM 827 CG TYR A 49 -7.142 2.677 -8.927 1.00 0.00 C ATOM 828 CD1 TYR A 49 -6.185 2.002 -9.698 1.00 0.00 C ATOM 829 CD2 TYR A 49 -8.298 3.202 -9.535 1.00 0.00 C ATOM 830 CE1 TYR A 49 -6.386 1.830 -11.076 1.00 0.00 C ATOM 831 CE2 TYR A 49 -8.514 3.028 -10.912 1.00 0.00 C ATOM 832 CZ TYR A 49 -7.562 2.330 -11.684 1.00 0.00 C ATOM 833 OH TYR A 49 -7.803 2.101 -13.000 1.00 0.00 O ATOM 0 H TYR A 49 -9.367 1.485 -6.541 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.608 0.632 -7.193 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.617 3.481 -7.004 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.948 2.976 -7.180 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.292 1.614 -9.231 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.021 3.740 -8.941 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.645 1.317 -11.671 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.404 3.426 -11.377 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.655 2.514 -13.253 1.00 0.00 H new ATOM 843 N ALA A 50 -5.988 1.189 -4.809 1.00 0.00 N ATOM 844 CA ALA A 50 -5.608 1.182 -3.415 1.00 0.00 C ATOM 845 C ALA A 50 -4.301 1.960 -3.318 1.00 0.00 C ATOM 846 O ALA A 50 -3.221 1.436 -3.592 1.00 0.00 O ATOM 847 CB ALA A 50 -5.512 -0.265 -2.924 1.00 0.00 C ATOM 0 H ALA A 50 -5.200 0.996 -5.427 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.342 1.662 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.225 -0.274 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.479 -0.754 -3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.763 -0.799 -3.509 1.00 0.00 H new ATOM 853 N ASP A 51 -4.423 3.254 -3.044 1.00 0.00 N ATOM 854 CA ASP A 51 -3.314 4.183 -2.910 1.00 0.00 C ATOM 855 C ASP A 51 -2.818 4.068 -1.467 1.00 0.00 C ATOM 856 O ASP A 51 -3.618 4.146 -0.529 1.00 0.00 O ATOM 857 CB ASP A 51 -3.767 5.607 -3.272 1.00 0.00 C ATOM 858 CG ASP A 51 -4.225 5.732 -4.734 1.00 0.00 C ATOM 859 OD1 ASP A 51 -5.383 5.390 -5.083 1.00 0.00 O ATOM 860 OD2 ASP A 51 -3.465 6.273 -5.561 1.00 0.00 O ATOM 0 H ASP A 51 -5.331 3.698 -2.905 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.498 3.948 -3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.584 5.902 -2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.946 6.301 -3.092 1.00 0.00 H new ATOM 865 N VAL A 52 -1.529 3.796 -1.272 1.00 0.00 N ATOM 866 CA VAL A 52 -0.928 3.504 0.031 1.00 0.00 C ATOM 867 C VAL A 52 0.295 4.401 0.173 1.00 0.00 C ATOM 868 O VAL A 52 1.111 4.487 -0.751 1.00 0.00 O ATOM 869 CB VAL A 52 -0.530 2.015 0.122 1.00 0.00 C ATOM 870 CG1 VAL A 52 0.094 1.654 1.479 1.00 0.00 C ATOM 871 CG2 VAL A 52 -1.707 1.063 -0.145 1.00 0.00 C ATOM 0 H VAL A 52 -0.854 3.772 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.637 3.696 0.836 1.00 0.00 H new ATOM 0 HB VAL A 52 0.215 1.882 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.355 0.596 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.992 2.251 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.622 1.859 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.365 0.031 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.493 1.241 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.099 1.241 -1.147 1.00 0.00 H new ATOM 881 N TYR A 53 0.439 5.039 1.331 1.00 0.00 N ATOM 882 CA TYR A 53 1.403 6.091 1.552 1.00 0.00 C ATOM 883 C TYR A 53 2.417 5.593 2.570 1.00 0.00 C ATOM 884 O TYR A 53 2.124 5.340 3.741 1.00 0.00 O ATOM 885 CB TYR A 53 0.673 7.340 2.002 1.00 0.00 C ATOM 886 CG TYR A 53 -0.304 7.901 0.973 1.00 0.00 C ATOM 887 CD1 TYR A 53 -1.551 7.282 0.744 1.00 0.00 C ATOM 888 CD2 TYR A 53 0.043 9.038 0.218 1.00 0.00 C ATOM 889 CE1 TYR A 53 -2.453 7.798 -0.198 1.00 0.00 C ATOM 890 CE2 TYR A 53 -0.847 9.547 -0.750 1.00 0.00 C ATOM 891 CZ TYR A 53 -2.107 8.938 -0.951 1.00 0.00 C ATOM 892 OH TYR A 53 -3.000 9.459 -1.836 1.00 0.00 O ATOM 0 H TYR A 53 -0.127 4.828 2.153 1.00 0.00 H new ATOM 0 HA TYR A 53 1.943 6.350 0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.128 7.118 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.407 8.108 2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.815 6.397 1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.995 9.522 0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.411 7.322 -0.346 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.565 10.406 -1.341 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.608 10.243 -2.273 1.00 0.00 H new ATOM 902 N VAL A 54 3.611 5.387 2.052 1.00 0.00 N ATOM 903 CA VAL A 54 4.770 4.818 2.701 1.00 0.00 C ATOM 904 C VAL A 54 5.540 5.974 3.332 1.00 0.00 C ATOM 905 O VAL A 54 6.069 6.824 2.613 1.00 0.00 O ATOM 906 CB VAL A 54 5.611 4.030 1.671 1.00 0.00 C ATOM 907 CG1 VAL A 54 6.683 3.209 2.394 1.00 0.00 C ATOM 908 CG2 VAL A 54 4.765 3.077 0.805 1.00 0.00 C ATOM 0 H VAL A 54 3.810 5.636 1.083 1.00 0.00 H new ATOM 0 HA VAL A 54 4.496 4.106 3.480 1.00 0.00 H new ATOM 0 HB VAL A 54 6.062 4.770 1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.272 2.656 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.336 3.877 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.205 2.509 3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.412 2.553 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.263 2.352 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.020 3.651 0.254 1.00 0.00 H new ATOM 918 N SER A 55 5.578 6.028 4.662 1.00 0.00 N ATOM 919 CA SER A 55 6.338 7.020 5.406 1.00 0.00 C ATOM 920 C SER A 55 7.640 6.334 5.829 1.00 0.00 C ATOM 921 O SER A 55 7.665 5.528 6.763 1.00 0.00 O ATOM 922 CB SER A 55 5.472 7.557 6.551 1.00 0.00 C ATOM 923 OG SER A 55 6.106 8.610 7.252 1.00 0.00 O ATOM 0 H SER A 55 5.073 5.372 5.258 1.00 0.00 H new ATOM 0 HA SER A 55 6.607 7.903 4.826 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.521 7.910 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.245 6.747 7.244 1.00 0.00 H new ATOM 0 HG SER A 55 5.519 8.924 7.972 1.00 0.00 H new ATOM 929 N PHE A 56 8.707 6.570 5.063 1.00 0.00 N ATOM 930 CA PHE A 56 10.050 6.085 5.352 1.00 0.00 C ATOM 931 C PHE A 56 10.748 7.070 6.283 1.00 0.00 C ATOM 932 O PHE A 56 10.833 8.257 5.964 1.00 0.00 O ATOM 933 CB PHE A 56 10.846 5.982 4.050 1.00 0.00 C ATOM 934 CG PHE A 56 12.183 5.276 4.116 1.00 0.00 C ATOM 935 CD1 PHE A 56 12.258 3.948 4.560 1.00 0.00 C ATOM 936 CD2 PHE A 56 13.348 5.919 3.665 1.00 0.00 C ATOM 937 CE1 PHE A 56 13.470 3.241 4.498 1.00 0.00 C ATOM 938 CE2 PHE A 56 14.571 5.231 3.648 1.00 0.00 C ATOM 939 CZ PHE A 56 14.631 3.886 4.047 1.00 0.00 C ATOM 0 H PHE A 56 8.655 7.118 4.204 1.00 0.00 H new ATOM 0 HA PHE A 56 9.989 5.104 5.824 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.227 5.468 3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.014 6.992 3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.376 3.465 4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.302 6.945 3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.508 2.204 4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.469 5.738 3.327 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.568 3.350 4.007 1.00 0.00 H new ATOM 949 N LEU A 57 11.309 6.573 7.383 1.00 0.00 N ATOM 950 CA LEU A 57 12.062 7.327 8.392 1.00 0.00 C ATOM 951 C LEU A 57 13.470 7.736 7.908 1.00 0.00 C ATOM 952 O LEU A 57 14.382 7.930 8.711 1.00 0.00 O ATOM 953 CB LEU A 57 12.098 6.486 9.692 1.00 0.00 C ATOM 954 CG LEU A 57 11.714 7.199 10.995 1.00 0.00 C ATOM 955 CD1 LEU A 57 12.639 8.366 11.326 1.00 0.00 C ATOM 956 CD2 LEU A 57 10.253 7.644 10.971 1.00 0.00 C ATOM 0 H LEU A 57 11.249 5.580 7.610 1.00 0.00 H new ATOM 0 HA LEU A 57 11.557 8.274 8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.430 5.634 9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.105 6.086 9.809 1.00 0.00 H new ATOM 0 HG LEU A 57 11.837 6.469 11.795 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.318 8.832 12.258 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.660 8.001 11.435 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.600 9.100 10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.010 8.146 11.908 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.096 8.331 10.140 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.609 6.773 10.849 1.00 0.00 H new ATOM 968 N GLY A 58 13.665 7.858 6.596 1.00 0.00 N ATOM 969 CA GLY A 58 14.956 8.011 5.929 1.00 0.00 C ATOM 970 C GLY A 58 15.179 9.413 5.388 1.00 0.00 C ATOM 971 O GLY A 58 14.519 10.372 5.792 1.00 0.00 O ATOM 0 H GLY A 58 12.887 7.852 5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.753 7.767 6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.023 7.296 5.109 1.00 0.00 H new ATOM 975 N THR A 59 16.151 9.550 4.492 1.00 0.00 N ATOM 976 CA THR A 59 16.344 10.724 3.653 1.00 0.00 C ATOM 977 C THR A 59 15.358 10.677 2.478 1.00 0.00 C ATOM 978 O THR A 59 14.999 9.582 2.036 1.00 0.00 O ATOM 979 CB THR A 59 17.804 10.744 3.157 1.00 0.00 C ATOM 980 OG1 THR A 59 18.249 9.442 2.799 1.00 0.00 O ATOM 981 CG2 THR A 59 18.701 11.260 4.278 1.00 0.00 C ATOM 0 H THR A 59 16.847 8.823 4.326 1.00 0.00 H new ATOM 0 HA THR A 59 16.154 11.636 4.219 1.00 0.00 H new ATOM 0 HB THR A 59 17.854 11.388 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 59 19.177 9.488 2.487 1.00 0.00 H new ATOM 0 HG21 THR A 59 19.736 11.278 3.937 1.00 0.00 H new ATOM 0 HG22 THR A 59 18.393 12.268 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 59 18.616 10.603 5.144 1.00 0.00 H new ATOM 989 N PRO A 60 14.971 11.829 1.897 1.00 0.00 N ATOM 990 CA PRO A 60 14.043 11.875 0.768 1.00 0.00 C ATOM 991 C PRO A 60 14.606 11.242 -0.509 1.00 0.00 C ATOM 992 O PRO A 60 13.856 11.033 -1.467 1.00 0.00 O ATOM 993 CB PRO A 60 13.738 13.359 0.548 1.00 0.00 C ATOM 994 CG PRO A 60 14.949 14.081 1.131 1.00 0.00 C ATOM 995 CD PRO A 60 15.359 13.176 2.290 1.00 0.00 C ATOM 0 HA PRO A 60 13.151 11.292 0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.610 13.587 -0.510 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.818 13.655 1.051 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.749 14.186 0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 60 14.696 15.085 1.472 1.00 0.00 H new ATOM 0 HD2 PRO A 60 16.432 13.236 2.473 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.861 13.473 3.213 1.00 0.00 H new ATOM 1003 N GLU A 61 15.911 10.979 -0.534 1.00 0.00 N ATOM 1004 CA GLU A 61 16.638 10.424 -1.655 1.00 0.00 C ATOM 1005 C GLU A 61 16.569 8.894 -1.579 1.00 0.00 C ATOM 1006 O GLU A 61 16.108 8.265 -2.529 1.00 0.00 O ATOM 1007 CB GLU A 61 18.082 10.937 -1.623 1.00 0.00 C ATOM 1008 CG GLU A 61 18.243 12.459 -1.551 1.00 0.00 C ATOM 1009 CD GLU A 61 17.879 13.202 -2.833 1.00 0.00 C ATOM 1010 OE1 GLU A 61 16.689 13.191 -3.223 1.00 0.00 O ATOM 1011 OE2 GLU A 61 18.792 13.786 -3.461 1.00 0.00 O ATOM 0 H GLU A 61 16.512 11.159 0.270 1.00 0.00 H new ATOM 0 HA GLU A 61 16.196 10.737 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 61 18.586 10.495 -0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 61 18.596 10.577 -2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.622 12.838 -0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 61 19.277 12.689 -1.295 1.00 0.00 H new ATOM 1018 N GLU A 62 16.970 8.280 -0.453 1.00 0.00 N ATOM 1019 CA GLU A 62 16.840 6.829 -0.243 1.00 0.00 C ATOM 1020 C GLU A 62 15.360 6.445 -0.306 1.00 0.00 C ATOM 1021 O GLU A 62 15.007 5.376 -0.799 1.00 0.00 O ATOM 1022 CB GLU A 62 17.428 6.407 1.117 1.00 0.00 C ATOM 1023 CG GLU A 62 18.922 6.048 1.084 1.00 0.00 C ATOM 1024 CD GLU A 62 19.169 4.543 0.891 1.00 0.00 C ATOM 1025 OE1 GLU A 62 19.143 4.028 -0.247 1.00 0.00 O ATOM 1026 OE2 GLU A 62 19.415 3.821 1.893 1.00 0.00 O ATOM 0 H GLU A 62 17.392 8.773 0.334 1.00 0.00 H new ATOM 0 HA GLU A 62 17.396 6.313 -1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.278 7.218 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.869 5.548 1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 62 19.405 6.597 0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 62 19.389 6.372 2.014 1.00 0.00 H new ATOM 1033 N ARG A 63 14.474 7.327 0.167 1.00 0.00 N ATOM 1034 CA ARG A 63 13.048 7.075 0.185 1.00 0.00 C ATOM 1035 C ARG A 63 12.514 6.778 -1.218 1.00 0.00 C ATOM 1036 O ARG A 63 11.675 5.887 -1.341 1.00 0.00 O ATOM 1037 CB ARG A 63 12.345 8.256 0.870 1.00 0.00 C ATOM 1038 CG ARG A 63 10.878 7.929 1.102 1.00 0.00 C ATOM 1039 CD ARG A 63 10.195 8.882 2.096 1.00 0.00 C ATOM 1040 NE ARG A 63 9.568 10.013 1.420 1.00 0.00 N ATOM 1041 CZ ARG A 63 9.136 11.166 1.929 1.00 0.00 C ATOM 1042 NH1 ARG A 63 9.528 11.616 3.118 1.00 0.00 N ATOM 1043 NH2 ARG A 63 8.285 11.867 1.203 1.00 0.00 N ATOM 0 H ARG A 63 14.737 8.236 0.547 1.00 0.00 H new ATOM 0 HA ARG A 63 12.835 6.177 0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.831 8.477 1.820 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.433 9.150 0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.349 7.967 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.794 6.907 1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.442 8.336 2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.931 9.249 2.812 1.00 0.00 H new ATOM 0 HE ARG A 63 9.442 9.905 0.413 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.185 11.072 3.678 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.172 12.505 3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.985 11.520 0.292 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.928 12.756 1.553 1.00 0.00 H new ATOM 1057 N LYS A 64 12.996 7.452 -2.265 1.00 0.00 N ATOM 1058 CA LYS A 64 12.512 7.204 -3.622 1.00 0.00 C ATOM 1059 C LYS A 64 12.908 5.830 -4.138 1.00 0.00 C ATOM 1060 O LYS A 64 12.115 5.220 -4.857 1.00 0.00 O ATOM 1061 CB LYS A 64 13.005 8.285 -4.582 1.00 0.00 C ATOM 1062 CG LYS A 64 12.166 9.554 -4.451 1.00 0.00 C ATOM 1063 CD LYS A 64 12.470 10.539 -5.590 1.00 0.00 C ATOM 1064 CE LYS A 64 13.699 11.401 -5.314 1.00 0.00 C ATOM 1065 NZ LYS A 64 13.527 12.213 -4.092 1.00 0.00 N ATOM 0 H LYS A 64 13.717 8.170 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 64 11.423 7.236 -3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.051 8.512 -4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.957 7.917 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.107 9.296 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.368 10.030 -3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.622 9.982 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.606 11.185 -5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.576 10.763 -5.208 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.883 12.057 -6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.182 13.021 -4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.548 12.562 -4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.730 11.629 -3.256 1.00 0.00 H new ATOM 1079 N GLU A 65 14.076 5.316 -3.755 1.00 0.00 N ATOM 1080 CA GLU A 65 14.494 3.969 -4.128 1.00 0.00 C ATOM 1081 C GLU A 65 13.452 2.955 -3.636 1.00 0.00 C ATOM 1082 O GLU A 65 13.108 2.021 -4.362 1.00 0.00 O ATOM 1083 CB GLU A 65 15.896 3.704 -3.559 1.00 0.00 C ATOM 1084 CG GLU A 65 16.485 2.351 -3.965 1.00 0.00 C ATOM 1085 CD GLU A 65 16.830 2.180 -5.448 1.00 0.00 C ATOM 1086 OE1 GLU A 65 16.701 3.123 -6.256 1.00 0.00 O ATOM 1087 OE2 GLU A 65 17.297 1.072 -5.807 1.00 0.00 O ATOM 0 H GLU A 65 14.753 5.819 -3.182 1.00 0.00 H new ATOM 0 HA GLU A 65 14.554 3.866 -5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.568 4.496 -3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.852 3.758 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.390 2.182 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.776 1.571 -3.686 1.00 0.00 H new ATOM 1094 N THR A 66 12.897 3.155 -2.433 1.00 0.00 N ATOM 1095 CA THR A 66 11.950 2.210 -1.859 1.00 0.00 C ATOM 1096 C THR A 66 10.680 2.063 -2.710 1.00 0.00 C ATOM 1097 O THR A 66 10.053 1.008 -2.659 1.00 0.00 O ATOM 1098 CB THR A 66 11.606 2.562 -0.398 1.00 0.00 C ATOM 1099 OG1 THR A 66 10.735 3.676 -0.310 1.00 0.00 O ATOM 1100 CG2 THR A 66 12.832 2.816 0.483 1.00 0.00 C ATOM 0 H THR A 66 13.092 3.965 -1.844 1.00 0.00 H new ATOM 0 HA THR A 66 12.446 1.239 -1.858 1.00 0.00 H new ATOM 0 HB THR A 66 11.103 1.673 -0.017 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.999 4.350 -0.970 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.509 3.058 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.456 1.922 0.505 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.406 3.649 0.077 1.00 0.00 H new ATOM 1108 N VAL A 67 10.280 3.078 -3.488 1.00 0.00 N ATOM 1109 CA VAL A 67 9.042 3.029 -4.265 1.00 0.00 C ATOM 1110 C VAL A 67 9.145 1.941 -5.333 1.00 0.00 C ATOM 1111 O VAL A 67 8.167 1.226 -5.566 1.00 0.00 O ATOM 1112 CB VAL A 67 8.728 4.409 -4.880 1.00 0.00 C ATOM 1113 CG1 VAL A 67 7.422 4.395 -5.694 1.00 0.00 C ATOM 1114 CG2 VAL A 67 8.567 5.471 -3.790 1.00 0.00 C ATOM 0 H VAL A 67 10.803 3.947 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 67 8.213 2.777 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 67 9.569 4.644 -5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.241 5.387 -6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.507 3.673 -6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.592 4.115 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.346 6.434 -4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.749 5.190 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.491 5.546 -3.216 1.00 0.00 H new ATOM 1124 N GLU A 68 10.316 1.789 -5.953 1.00 0.00 N ATOM 1125 CA GLU A 68 10.549 0.732 -6.920 1.00 0.00 C ATOM 1126 C GLU A 68 10.582 -0.618 -6.208 1.00 0.00 C ATOM 1127 O GLU A 68 9.933 -1.555 -6.662 1.00 0.00 O ATOM 1128 CB GLU A 68 11.836 0.995 -7.709 1.00 0.00 C ATOM 1129 CG GLU A 68 11.645 2.190 -8.659 1.00 0.00 C ATOM 1130 CD GLU A 68 12.548 2.082 -9.884 1.00 0.00 C ATOM 1131 OE1 GLU A 68 12.396 1.104 -10.652 1.00 0.00 O ATOM 1132 OE2 GLU A 68 13.394 2.980 -10.099 1.00 0.00 O ATOM 0 H GLU A 68 11.121 2.395 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 68 9.731 0.714 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.658 1.196 -7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.108 0.107 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.604 2.240 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.861 3.117 -8.127 1.00 0.00 H new ATOM 1139 N ILE A 69 11.260 -0.709 -5.061 1.00 0.00 N ATOM 1140 CA ILE A 69 11.356 -1.933 -4.264 1.00 0.00 C ATOM 1141 C ILE A 69 9.956 -2.443 -3.874 1.00 0.00 C ATOM 1142 O ILE A 69 9.681 -3.649 -3.955 1.00 0.00 O ATOM 1143 CB ILE A 69 12.278 -1.671 -3.046 1.00 0.00 C ATOM 1144 CG1 ILE A 69 13.708 -1.320 -3.533 1.00 0.00 C ATOM 1145 CG2 ILE A 69 12.279 -2.879 -2.101 1.00 0.00 C ATOM 1146 CD1 ILE A 69 14.758 -1.092 -2.436 1.00 0.00 C ATOM 0 H ILE A 69 11.765 0.078 -4.654 1.00 0.00 H new ATOM 0 HA ILE A 69 11.807 -2.733 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 69 11.896 -0.820 -2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.057 -2.124 -4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.651 -0.420 -4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.932 -2.676 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.266 -3.062 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.640 -3.758 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.718 -0.854 -2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.445 -0.265 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.858 -1.995 -1.834 1.00 0.00 H new ATOM 1158 N LEU A 70 9.066 -1.536 -3.462 1.00 0.00 N ATOM 1159 CA LEU A 70 7.679 -1.838 -3.137 1.00 0.00 C ATOM 1160 C LEU A 70 6.914 -2.262 -4.392 1.00 0.00 C ATOM 1161 O LEU A 70 6.181 -3.251 -4.367 1.00 0.00 O ATOM 1162 CB LEU A 70 6.995 -0.610 -2.499 1.00 0.00 C ATOM 1163 CG LEU A 70 6.882 -0.584 -0.964 1.00 0.00 C ATOM 1164 CD1 LEU A 70 6.307 -1.884 -0.392 1.00 0.00 C ATOM 1165 CD2 LEU A 70 8.208 -0.282 -0.265 1.00 0.00 C ATOM 0 H LEU A 70 9.300 -0.550 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 70 7.668 -2.661 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.540 0.281 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.990 -0.531 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 70 6.190 0.233 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.250 -1.810 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.309 -2.050 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.953 -2.719 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.058 -0.279 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.940 -1.046 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.573 0.694 -0.584 1.00 0.00 H new ATOM 1177 N ASN A 71 7.063 -1.528 -5.496 1.00 0.00 N ATOM 1178 CA ASN A 71 6.366 -1.828 -6.747 1.00 0.00 C ATOM 1179 C ASN A 71 6.797 -3.162 -7.355 1.00 0.00 C ATOM 1180 O ASN A 71 5.991 -3.857 -7.977 1.00 0.00 O ATOM 1181 CB ASN A 71 6.584 -0.721 -7.775 1.00 0.00 C ATOM 1182 CG ASN A 71 5.426 0.259 -7.699 1.00 0.00 C ATOM 1183 OD1 ASN A 71 4.315 -0.049 -8.130 1.00 0.00 O ATOM 1184 ND2 ASN A 71 5.631 1.394 -7.056 1.00 0.00 N ATOM 0 H ASN A 71 7.670 -0.710 -5.548 1.00 0.00 H new ATOM 0 HA ASN A 71 5.308 -1.895 -6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.526 -0.207 -7.581 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.653 -1.145 -8.777 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.858 2.042 -6.905 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.563 1.623 -6.710 1.00 0.00 H new ATOM 1191 N ARG A 72 8.052 -3.548 -7.164 1.00 0.00 N ATOM 1192 CA ARG A 72 8.570 -4.865 -7.442 1.00 0.00 C ATOM 1193 C ARG A 72 7.798 -5.893 -6.611 1.00 0.00 C ATOM 1194 O ARG A 72 7.265 -6.855 -7.164 1.00 0.00 O ATOM 1195 CB ARG A 72 10.090 -4.807 -7.193 1.00 0.00 C ATOM 1196 CG ARG A 72 10.665 -6.168 -6.847 1.00 0.00 C ATOM 1197 CD ARG A 72 12.186 -6.264 -7.050 1.00 0.00 C ATOM 1198 NE ARG A 72 12.639 -7.666 -7.114 1.00 0.00 N ATOM 1199 CZ ARG A 72 12.306 -8.561 -8.055 1.00 0.00 C ATOM 1200 NH1 ARG A 72 11.656 -8.182 -9.147 1.00 0.00 N ATOM 1201 NH2 ARG A 72 12.602 -9.844 -7.894 1.00 0.00 N ATOM 0 H ARG A 72 8.762 -2.916 -6.794 1.00 0.00 H new ATOM 0 HA ARG A 72 8.429 -5.186 -8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.588 -4.419 -8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.297 -4.110 -6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.430 -6.399 -5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.177 -6.926 -7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.464 -5.749 -7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.695 -5.754 -6.233 1.00 0.00 H new ATOM 0 HE ARG A 72 13.264 -7.984 -6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.405 -7.202 -9.277 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.407 -8.871 -9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.085 -10.154 -7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.346 -10.521 -8.613 1.00 0.00 H new ATOM 1215 N ALA A 73 7.694 -5.694 -5.296 1.00 0.00 N ATOM 1216 CA ALA A 73 6.996 -6.612 -4.400 1.00 0.00 C ATOM 1217 C ALA A 73 5.473 -6.667 -4.594 1.00 0.00 C ATOM 1218 O ALA A 73 4.818 -7.582 -4.093 1.00 0.00 O ATOM 1219 CB ALA A 73 7.293 -6.210 -2.963 1.00 0.00 C ATOM 0 H ALA A 73 8.095 -4.885 -4.821 1.00 0.00 H new ATOM 0 HA ALA A 73 7.366 -7.609 -4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.778 -6.887 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.367 -6.264 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.947 -5.191 -2.791 1.00 0.00 H new ATOM 1225 N LYS A 74 4.880 -5.691 -5.279 1.00 0.00 N ATOM 1226 CA LYS A 74 3.468 -5.430 -5.373 1.00 0.00 C ATOM 1227 C LYS A 74 2.571 -6.627 -5.686 1.00 0.00 C ATOM 1228 O LYS A 74 1.475 -6.691 -5.130 1.00 0.00 O ATOM 1229 CB LYS A 74 3.360 -4.321 -6.412 1.00 0.00 C ATOM 1230 CG LYS A 74 2.174 -3.422 -6.159 1.00 0.00 C ATOM 1231 CD LYS A 74 1.186 -3.468 -7.322 1.00 0.00 C ATOM 1232 CE LYS A 74 1.681 -2.755 -8.586 1.00 0.00 C ATOM 1233 NZ LYS A 74 1.839 -1.295 -8.418 1.00 0.00 N ATOM 0 H LYS A 74 5.426 -5.019 -5.818 1.00 0.00 H new ATOM 0 HA LYS A 74 3.082 -5.148 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.274 -3.727 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.275 -4.762 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.673 -3.727 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.516 -2.398 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.973 -4.509 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.246 -3.015 -7.006 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.638 -3.184 -8.884 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.980 -2.945 -9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.478 -0.807 -9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.305 -0.982 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.846 -1.067 -8.290 1.00 0.00 H new ATOM 1247 N GLY A 75 3.003 -7.563 -6.533 1.00 0.00 N ATOM 1248 CA GLY A 75 2.224 -8.755 -6.846 1.00 0.00 C ATOM 1249 C GLY A 75 1.976 -9.569 -5.579 1.00 0.00 C ATOM 1250 O GLY A 75 0.826 -9.860 -5.231 1.00 0.00 O ATOM 0 H GLY A 75 3.899 -7.514 -7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.273 -8.469 -7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.754 -9.363 -7.580 1.00 0.00 H new ATOM 1254 N PHE A 76 3.058 -9.886 -4.858 1.00 0.00 N ATOM 1255 CA PHE A 76 2.998 -10.616 -3.599 1.00 0.00 C ATOM 1256 C PHE A 76 2.063 -9.903 -2.627 1.00 0.00 C ATOM 1257 O PHE A 76 1.101 -10.510 -2.150 1.00 0.00 O ATOM 1258 CB PHE A 76 4.391 -10.750 -2.968 1.00 0.00 C ATOM 1259 CG PHE A 76 4.372 -11.544 -1.673 1.00 0.00 C ATOM 1260 CD1 PHE A 76 3.801 -12.831 -1.605 1.00 0.00 C ATOM 1261 CD2 PHE A 76 4.874 -10.955 -0.503 1.00 0.00 C ATOM 1262 CE1 PHE A 76 3.735 -13.506 -0.372 1.00 0.00 C ATOM 1263 CE2 PHE A 76 4.840 -11.634 0.725 1.00 0.00 C ATOM 1264 CZ PHE A 76 4.257 -12.909 0.788 1.00 0.00 C ATOM 0 H PHE A 76 4.006 -9.638 -5.140 1.00 0.00 H new ATOM 0 HA PHE A 76 2.617 -11.616 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.062 -11.235 -3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.795 -9.756 -2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.414 -13.299 -2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.294 -9.961 -0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.282 -14.485 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.258 -11.180 1.612 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.209 -13.433 1.731 1.00 0.00 H new ATOM 1274 N PHE A 77 2.329 -8.610 -2.391 1.00 0.00 N ATOM 1275 CA PHE A 77 1.534 -7.753 -1.522 1.00 0.00 C ATOM 1276 C PHE A 77 0.050 -7.941 -1.810 1.00 0.00 C ATOM 1277 O PHE A 77 -0.693 -8.313 -0.910 1.00 0.00 O ATOM 1278 CB PHE A 77 1.920 -6.269 -1.684 1.00 0.00 C ATOM 1279 CG PHE A 77 3.015 -5.793 -0.757 1.00 0.00 C ATOM 1280 CD1 PHE A 77 2.760 -5.733 0.623 1.00 0.00 C ATOM 1281 CD2 PHE A 77 4.272 -5.391 -1.248 1.00 0.00 C ATOM 1282 CE1 PHE A 77 3.756 -5.299 1.507 1.00 0.00 C ATOM 1283 CE2 PHE A 77 5.279 -4.996 -0.352 1.00 0.00 C ATOM 1284 CZ PHE A 77 5.021 -4.952 1.026 1.00 0.00 C ATOM 0 H PHE A 77 3.123 -8.127 -2.812 1.00 0.00 H new ATOM 0 HA PHE A 77 1.740 -8.043 -0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.236 -6.101 -2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.033 -5.657 -1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.792 -6.023 1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.461 -5.386 -2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.545 -5.232 2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.256 -4.725 -0.725 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.798 -4.651 1.713 1.00 0.00 H new ATOM 1294 N ARG A 78 -0.376 -7.689 -3.052 1.00 0.00 N ATOM 1295 CA ARG A 78 -1.776 -7.713 -3.472 1.00 0.00 C ATOM 1296 C ARG A 78 -2.421 -9.058 -3.165 1.00 0.00 C ATOM 1297 O ARG A 78 -3.533 -9.114 -2.640 1.00 0.00 O ATOM 1298 CB ARG A 78 -1.818 -7.438 -4.981 1.00 0.00 C ATOM 1299 CG ARG A 78 -3.210 -7.013 -5.463 1.00 0.00 C ATOM 1300 CD ARG A 78 -3.217 -6.672 -6.958 1.00 0.00 C ATOM 1301 NE ARG A 78 -2.872 -7.837 -7.791 1.00 0.00 N ATOM 1302 CZ ARG A 78 -3.665 -8.467 -8.664 1.00 0.00 C ATOM 1303 NH1 ARG A 78 -4.887 -8.021 -8.940 1.00 0.00 N ATOM 1304 NH2 ARG A 78 -3.200 -9.555 -9.266 1.00 0.00 N ATOM 0 H ARG A 78 0.263 -7.457 -3.812 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.336 -6.954 -2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.099 -6.656 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.509 -8.334 -5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.922 -7.816 -5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.544 -6.147 -4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.203 -6.303 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.508 -5.867 -7.150 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.925 -8.203 -7.691 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.239 -7.180 -8.482 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.473 -8.520 -9.610 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.259 -9.890 -9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.783 -10.056 -9.937 1.00 0.00 H new ATOM 1318 N THR A 79 -1.719 -10.125 -3.515 1.00 0.00 N ATOM 1319 CA THR A 79 -2.193 -11.494 -3.362 1.00 0.00 C ATOM 1320 C THR A 79 -2.500 -11.829 -1.893 1.00 0.00 C ATOM 1321 O THR A 79 -3.546 -12.409 -1.594 1.00 0.00 O ATOM 1322 CB THR A 79 -1.183 -12.440 -4.032 1.00 0.00 C ATOM 1323 OG1 THR A 79 -0.965 -12.022 -5.368 1.00 0.00 O ATOM 1324 CG2 THR A 79 -1.689 -13.885 -4.081 1.00 0.00 C ATOM 0 H THR A 79 -0.785 -10.063 -3.921 1.00 0.00 H new ATOM 0 HA THR A 79 -3.149 -11.624 -3.869 1.00 0.00 H new ATOM 0 HB THR A 79 -0.268 -12.404 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.308 -11.295 -5.380 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.942 -14.516 -4.563 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.867 -14.243 -3.067 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.619 -13.926 -4.648 1.00 0.00 H new ATOM 1332 N PHE A 80 -1.644 -11.395 -0.970 1.00 0.00 N ATOM 1333 CA PHE A 80 -1.846 -11.569 0.471 1.00 0.00 C ATOM 1334 C PHE A 80 -3.129 -10.877 0.942 1.00 0.00 C ATOM 1335 O PHE A 80 -3.822 -11.382 1.830 1.00 0.00 O ATOM 1336 CB PHE A 80 -0.630 -11.002 1.213 1.00 0.00 C ATOM 1337 CG PHE A 80 -0.699 -11.189 2.713 1.00 0.00 C ATOM 1338 CD1 PHE A 80 -0.198 -12.367 3.294 1.00 0.00 C ATOM 1339 CD2 PHE A 80 -1.293 -10.203 3.525 1.00 0.00 C ATOM 1340 CE1 PHE A 80 -0.269 -12.555 4.684 1.00 0.00 C ATOM 1341 CE2 PHE A 80 -1.379 -10.408 4.914 1.00 0.00 C ATOM 1342 CZ PHE A 80 -0.859 -11.576 5.496 1.00 0.00 C ATOM 0 H PHE A 80 -0.779 -10.906 -1.202 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.952 -12.632 0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.273 -11.482 0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.542 -9.939 0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.243 -13.130 2.669 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.680 -9.296 3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.131 -13.455 5.128 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.848 -9.662 5.538 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.913 -11.719 6.565 1.00 0.00 H new ATOM 1352 N ILE A 81 -3.466 -9.721 0.368 1.00 0.00 N ATOM 1353 CA ILE A 81 -4.707 -9.018 0.686 1.00 0.00 C ATOM 1354 C ILE A 81 -5.878 -9.852 0.161 1.00 0.00 C ATOM 1355 O ILE A 81 -6.802 -10.139 0.919 1.00 0.00 O ATOM 1356 CB ILE A 81 -4.751 -7.575 0.122 1.00 0.00 C ATOM 1357 CG1 ILE A 81 -3.357 -6.945 -0.017 1.00 0.00 C ATOM 1358 CG2 ILE A 81 -5.666 -6.711 1.001 1.00 0.00 C ATOM 1359 CD1 ILE A 81 -3.336 -5.515 -0.533 1.00 0.00 C ATOM 0 H ILE A 81 -2.888 -9.248 -0.327 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.772 -8.907 1.768 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.157 -7.625 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.867 -6.969 0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.762 -7.564 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.698 -5.696 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.672 -7.131 1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.279 -6.691 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.305 -5.165 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.791 -5.479 -1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.897 -4.874 0.147 1.00 0.00 H new ATOM 1371 N ALA A 82 -5.809 -10.273 -1.111 1.00 0.00 N ATOM 1372 CA ALA A 82 -6.830 -11.059 -1.804 1.00 0.00 C ATOM 1373 C ALA A 82 -7.108 -12.408 -1.134 1.00 0.00 C ATOM 1374 O ALA A 82 -8.151 -13.010 -1.383 1.00 0.00 O ATOM 1375 CB ALA A 82 -6.406 -11.293 -3.259 1.00 0.00 C ATOM 0 H ALA A 82 -5.006 -10.065 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.753 -10.481 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.170 -11.879 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.287 -10.333 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.460 -11.833 -3.280 1.00 0.00 H new ATOM 1381 N LYS A 83 -6.202 -12.907 -0.285 1.00 0.00 N ATOM 1382 CA LYS A 83 -6.508 -14.036 0.585 1.00 0.00 C ATOM 1383 C LYS A 83 -7.729 -13.723 1.440 1.00 0.00 C ATOM 1384 O LYS A 83 -8.638 -14.544 1.508 1.00 0.00 O ATOM 1385 CB LYS A 83 -5.290 -14.411 1.446 1.00 0.00 C ATOM 1386 CG LYS A 83 -5.628 -15.512 2.455 1.00 0.00 C ATOM 1387 CD LYS A 83 -4.360 -16.041 3.121 1.00 0.00 C ATOM 1388 CE LYS A 83 -4.792 -16.908 4.318 1.00 0.00 C ATOM 1389 NZ LYS A 83 -3.669 -17.552 5.028 1.00 0.00 N ATOM 0 H LYS A 83 -5.254 -12.544 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.744 -14.903 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.477 -14.745 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.933 -13.528 1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.307 -15.122 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.147 -16.327 1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.773 -16.628 2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.729 -15.217 3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.346 -16.287 5.022 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.477 -17.680 3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.037 -18.117 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.152 -18.171 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.025 -16.822 5.394 1.00 0.00 H new ATOM 1403 N ASN A 84 -7.702 -12.578 2.113 1.00 0.00 N ATOM 1404 CA ASN A 84 -8.645 -12.182 3.141 1.00 0.00 C ATOM 1405 C ASN A 84 -9.919 -11.704 2.462 1.00 0.00 C ATOM 1406 O ASN A 84 -10.963 -12.352 2.559 1.00 0.00 O ATOM 1407 CB ASN A 84 -8.018 -11.080 4.021 1.00 0.00 C ATOM 1408 CG ASN A 84 -6.856 -11.597 4.841 1.00 0.00 C ATOM 1409 OD1 ASN A 84 -7.015 -11.955 6.000 1.00 0.00 O ATOM 1410 ND2 ASN A 84 -5.668 -11.635 4.263 1.00 0.00 N ATOM 0 H ASN A 84 -6.987 -11.871 1.945 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.888 -13.022 3.792 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.678 -10.261 3.387 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.778 -10.673 4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.857 -11.968 4.785 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.562 -11.331 3.295 1.00 0.00 H new ATOM 1417 N LEU A 85 -9.843 -10.547 1.798 1.00 0.00 N ATOM 1418 CA LEU A 85 -10.972 -9.844 1.220 1.00 0.00 C ATOM 1419 C LEU A 85 -10.597 -9.357 -0.162 1.00 0.00 C ATOM 1420 O LEU A 85 -9.430 -9.107 -0.473 1.00 0.00 O ATOM 1421 CB LEU A 85 -11.363 -8.618 2.066 1.00 0.00 C ATOM 1422 CG LEU A 85 -12.205 -8.795 3.339 1.00 0.00 C ATOM 1423 CD1 LEU A 85 -13.436 -9.666 3.096 1.00 0.00 C ATOM 1424 CD2 LEU A 85 -11.374 -9.320 4.504 1.00 0.00 C ATOM 0 H LEU A 85 -8.957 -10.064 1.648 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.814 -10.535 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.439 -8.118 2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.904 -7.934 1.413 1.00 0.00 H new ATOM 0 HG LEU A 85 -12.561 -7.803 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -14.001 -9.764 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -14.064 -9.204 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -13.122 -10.653 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -12.009 -9.430 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.948 -10.288 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.570 -8.618 4.723 1.00 0.00 H new ATOM 1436 N ARG A 86 -11.651 -9.113 -0.936 1.00 0.00 N ATOM 1437 CA ARG A 86 -11.671 -9.007 -2.380 1.00 0.00 C ATOM 1438 C ARG A 86 -11.272 -10.332 -3.013 1.00 0.00 C ATOM 1439 O ARG A 86 -10.527 -11.151 -2.478 1.00 0.00 O ATOM 1440 CB ARG A 86 -10.849 -7.848 -2.960 1.00 0.00 C ATOM 1441 CG ARG A 86 -11.008 -6.493 -2.264 1.00 0.00 C ATOM 1442 CD ARG A 86 -12.446 -5.928 -2.243 1.00 0.00 C ATOM 1443 NE ARG A 86 -13.223 -6.249 -1.025 1.00 0.00 N ATOM 1444 CZ ARG A 86 -13.011 -5.792 0.221 1.00 0.00 C ATOM 1445 NH1 ARG A 86 -11.926 -5.077 0.516 1.00 0.00 N ATOM 1446 NH2 ARG A 86 -13.889 -6.065 1.186 1.00 0.00 N ATOM 0 H ARG A 86 -12.578 -8.975 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.702 -8.767 -2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.796 -8.127 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.118 -7.728 -4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.657 -6.587 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.358 -5.771 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.397 -4.844 -2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.984 -6.310 -3.111 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.008 -6.889 -1.145 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.240 -4.868 -0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.782 -4.738 1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.719 -6.620 0.978 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.730 -5.719 2.132 1.00 0.00 H new ATOM 1460 N LEU A 87 -11.894 -10.517 -4.156 1.00 0.00 N ATOM 1461 CA LEU A 87 -11.869 -11.686 -5.010 1.00 0.00 C ATOM 1462 C LEU A 87 -10.567 -11.679 -5.823 1.00 0.00 C ATOM 1463 O LEU A 87 -9.632 -10.949 -5.498 1.00 0.00 O ATOM 1464 CB LEU A 87 -13.147 -11.686 -5.879 1.00 0.00 C ATOM 1465 CG LEU A 87 -14.436 -11.356 -5.078 1.00 0.00 C ATOM 1466 CD1 LEU A 87 -14.864 -9.888 -5.242 1.00 0.00 C ATOM 1467 CD2 LEU A 87 -15.597 -12.232 -5.520 1.00 0.00 C ATOM 0 H LEU A 87 -12.486 -9.785 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.874 -12.613 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.031 -10.959 -6.683 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.259 -12.664 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.193 -11.546 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.770 -9.706 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.068 -9.235 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.058 -9.681 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -16.485 -11.978 -4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -15.794 -12.067 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.345 -13.280 -5.357 1.00 0.00 H new ATOM 1479 N TYR A 88 -10.506 -12.474 -6.897 1.00 0.00 N ATOM 1480 CA TYR A 88 -9.339 -12.566 -7.781 1.00 0.00 C ATOM 1481 C TYR A 88 -8.891 -11.175 -8.239 1.00 0.00 C ATOM 1482 O TYR A 88 -7.694 -10.885 -8.296 1.00 0.00 O ATOM 1483 CB TYR A 88 -9.547 -13.440 -9.022 1.00 0.00 C ATOM 1484 CG TYR A 88 -10.984 -13.554 -9.426 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -11.773 -14.429 -8.681 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -11.534 -12.763 -10.443 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -13.142 -14.556 -8.967 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -12.901 -12.888 -10.749 1.00 0.00 C ATOM 1489 CZ TYR A 88 -13.710 -13.790 -10.016 1.00 0.00 C ATOM 1490 OH TYR A 88 -15.022 -13.928 -10.346 1.00 0.00 O ATOM 0 H TYR A 88 -11.276 -13.080 -7.180 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.572 -13.047 -7.173 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.974 -13.025 -9.851 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.150 -14.436 -8.828 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.332 -15.009 -7.884 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.915 -12.065 -10.986 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -13.757 -15.232 -8.392 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.333 -12.297 -11.542 1.00 0.00 H new ATOM 0 HH TYR A 88 -15.238 -13.324 -11.087 1.00 0.00 H new ATOM 1500 N VAL A 89 -9.856 -10.331 -8.608 1.00 0.00 N ATOM 1501 CA VAL A 89 -9.641 -8.927 -8.900 1.00 0.00 C ATOM 1502 C VAL A 89 -9.506 -8.209 -7.556 1.00 0.00 C ATOM 1503 O VAL A 89 -10.496 -7.844 -6.921 1.00 0.00 O ATOM 1504 CB VAL A 89 -10.755 -8.359 -9.803 1.00 0.00 C ATOM 1505 CG1 VAL A 89 -10.364 -6.974 -10.310 1.00 0.00 C ATOM 1506 CG2 VAL A 89 -10.984 -9.247 -11.033 1.00 0.00 C ATOM 0 H VAL A 89 -10.829 -10.619 -8.712 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.729 -8.775 -9.477 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.663 -8.316 -9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.157 -6.582 -10.947 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.215 -6.305 -9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.440 -7.044 -10.884 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.775 -8.819 -11.649 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.064 -9.307 -11.615 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.276 -10.247 -10.711 1.00 0.00 H new ATOM 1516 N ALA A 90 -8.258 -8.058 -7.127 1.00 0.00 N ATOM 1517 CA ALA A 90 -7.848 -7.159 -6.059 1.00 0.00 C ATOM 1518 C ALA A 90 -7.302 -5.872 -6.703 1.00 0.00 C ATOM 1519 O ALA A 90 -6.814 -5.937 -7.842 1.00 0.00 O ATOM 1520 CB ALA A 90 -6.806 -7.874 -5.188 1.00 0.00 C ATOM 0 H ALA A 90 -7.478 -8.578 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.681 -6.885 -5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.489 -7.212 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.244 -8.777 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.943 -8.142 -5.798 1.00 0.00 H new ATOM 1526 N PRO A 91 -7.355 -4.722 -6.003 1.00 0.00 N ATOM 1527 CA PRO A 91 -7.067 -3.408 -6.576 1.00 0.00 C ATOM 1528 C PRO A 91 -5.635 -3.282 -7.078 1.00 0.00 C ATOM 1529 O PRO A 91 -4.738 -3.998 -6.626 1.00 0.00 O ATOM 1530 CB PRO A 91 -7.328 -2.383 -5.470 1.00 0.00 C ATOM 1531 CG PRO A 91 -7.354 -3.193 -4.179 1.00 0.00 C ATOM 1532 CD PRO A 91 -7.810 -4.577 -4.628 1.00 0.00 C ATOM 0 HA PRO A 91 -7.702 -3.246 -7.447 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -6.547 -1.623 -5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -8.273 -1.863 -5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.371 -3.228 -3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -8.041 -2.762 -3.450 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.385 -5.353 -3.992 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.894 -4.671 -4.564 1.00 0.00 H new ATOM 1540 N GLU A 92 -5.404 -2.307 -7.960 1.00 0.00 N ATOM 1541 CA GLU A 92 -4.049 -1.873 -8.236 1.00 0.00 C ATOM 1542 C GLU A 92 -3.518 -1.184 -6.978 1.00 0.00 C ATOM 1543 O GLU A 92 -4.046 -0.150 -6.561 1.00 0.00 O ATOM 1544 CB GLU A 92 -3.972 -0.969 -9.475 1.00 0.00 C ATOM 1545 CG GLU A 92 -2.887 -1.442 -10.451 1.00 0.00 C ATOM 1546 CD GLU A 92 -3.281 -2.663 -11.296 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -3.345 -3.803 -10.770 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -3.445 -2.484 -12.526 1.00 0.00 O ATOM 0 H GLU A 92 -6.129 -1.816 -8.483 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.424 -2.733 -8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.938 -0.960 -9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.764 0.055 -9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.634 -0.619 -11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.987 -1.682 -9.886 1.00 0.00 H new ATOM 1555 N ILE A 93 -2.515 -1.803 -6.361 1.00 0.00 N ATOM 1556 CA ILE A 93 -1.833 -1.360 -5.151 1.00 0.00 C ATOM 1557 C ILE A 93 -0.789 -0.315 -5.599 1.00 0.00 C ATOM 1558 O ILE A 93 0.172 -0.639 -6.302 1.00 0.00 O ATOM 1559 CB ILE A 93 -1.328 -2.647 -4.431 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -2.504 -3.386 -3.747 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -0.173 -2.503 -3.436 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -3.021 -2.737 -2.453 1.00 0.00 C ATOM 0 H ILE A 93 -2.135 -2.681 -6.715 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.438 -0.846 -4.404 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.899 -3.223 -5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.330 -3.455 -4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.190 -4.406 -3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.069 -3.479 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.701 -2.102 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.466 -1.825 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.843 -3.330 -2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.215 -2.693 -1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.372 -1.728 -2.667 1.00 0.00 H new ATOM 1574 N ARG A 94 -1.038 0.969 -5.324 1.00 0.00 N ATOM 1575 CA ARG A 94 -0.262 2.119 -5.801 1.00 0.00 C ATOM 1576 C ARG A 94 0.515 2.706 -4.623 1.00 0.00 C ATOM 1577 O ARG A 94 -0.092 3.314 -3.739 1.00 0.00 O ATOM 1578 CB ARG A 94 -1.206 3.163 -6.425 1.00 0.00 C ATOM 1579 CG ARG A 94 -1.964 2.629 -7.649 1.00 0.00 C ATOM 1580 CD ARG A 94 -2.895 3.698 -8.229 1.00 0.00 C ATOM 1581 NE ARG A 94 -2.181 4.639 -9.109 1.00 0.00 N ATOM 1582 CZ ARG A 94 -2.352 5.966 -9.160 1.00 0.00 C ATOM 1583 NH1 ARG A 94 -3.154 6.575 -8.290 1.00 0.00 N ATOM 1584 NH2 ARG A 94 -1.731 6.681 -10.095 1.00 0.00 N ATOM 0 H ARG A 94 -1.823 1.248 -4.735 1.00 0.00 H new ATOM 0 HA ARG A 94 0.444 1.809 -6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.925 3.490 -5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.628 4.040 -6.716 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.253 2.310 -8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.545 1.751 -7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.695 3.215 -8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.364 4.250 -7.414 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.488 4.240 -9.742 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.643 6.031 -7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.280 7.586 -8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.125 6.218 -10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.861 7.692 -10.134 1.00 0.00 H new ATOM 1598 N PHE A 95 1.829 2.480 -4.571 1.00 0.00 N ATOM 1599 CA PHE A 95 2.674 2.924 -3.467 1.00 0.00 C ATOM 1600 C PHE A 95 3.174 4.346 -3.735 1.00 0.00 C ATOM 1601 O PHE A 95 3.748 4.610 -4.795 1.00 0.00 O ATOM 1602 CB PHE A 95 3.856 1.956 -3.291 1.00 0.00 C ATOM 1603 CG PHE A 95 3.480 0.600 -2.714 1.00 0.00 C ATOM 1604 CD1 PHE A 95 3.131 0.482 -1.351 1.00 0.00 C ATOM 1605 CD2 PHE A 95 3.519 -0.557 -3.520 1.00 0.00 C ATOM 1606 CE1 PHE A 95 2.819 -0.775 -0.800 1.00 0.00 C ATOM 1607 CE2 PHE A 95 3.242 -1.816 -2.957 1.00 0.00 C ATOM 1608 CZ PHE A 95 2.874 -1.925 -1.605 1.00 0.00 C ATOM 0 H PHE A 95 2.338 1.980 -5.300 1.00 0.00 H new ATOM 0 HA PHE A 95 2.092 2.929 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.333 1.805 -4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.596 2.421 -2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.103 1.363 -0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.762 -0.476 -4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.538 -0.855 0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.313 -2.704 -3.567 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.634 -2.891 -1.186 1.00 0.00 H new ATOM 1618 N TYR A 96 3.005 5.241 -2.765 1.00 0.00 N ATOM 1619 CA TYR A 96 3.491 6.613 -2.786 1.00 0.00 C ATOM 1620 C TYR A 96 4.455 6.799 -1.637 1.00 0.00 C ATOM 1621 O TYR A 96 4.170 6.363 -0.521 1.00 0.00 O ATOM 1622 CB TYR A 96 2.327 7.594 -2.622 1.00 0.00 C ATOM 1623 CG TYR A 96 1.495 7.667 -3.871 1.00 0.00 C ATOM 1624 CD1 TYR A 96 1.842 8.587 -4.878 1.00 0.00 C ATOM 1625 CD2 TYR A 96 0.434 6.762 -4.054 1.00 0.00 C ATOM 1626 CE1 TYR A 96 1.134 8.586 -6.088 1.00 0.00 C ATOM 1627 CE2 TYR A 96 -0.263 6.746 -5.270 1.00 0.00 C ATOM 1628 CZ TYR A 96 0.095 7.654 -6.292 1.00 0.00 C ATOM 1629 OH TYR A 96 -0.535 7.608 -7.487 1.00 0.00 O ATOM 0 H TYR A 96 2.503 5.017 -1.906 1.00 0.00 H new ATOM 0 HA TYR A 96 3.984 6.806 -3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 96 1.703 7.284 -1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.714 8.584 -2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.648 9.289 -4.720 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.158 6.083 -3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.383 9.297 -6.862 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -1.069 6.044 -5.425 1.00 0.00 H new ATOM 0 HH TYR A 96 0.086 7.880 -8.195 1.00 0.00 H new ATOM 1639 N GLU A 97 5.566 7.491 -1.871 1.00 0.00 N ATOM 1640 CA GLU A 97 6.458 7.890 -0.800 1.00 0.00 C ATOM 1641 C GLU A 97 5.971 9.184 -0.160 1.00 0.00 C ATOM 1642 O GLU A 97 6.543 10.257 -0.349 1.00 0.00 O ATOM 1643 CB GLU A 97 7.915 7.866 -1.215 1.00 0.00 C ATOM 1644 CG GLU A 97 8.364 8.587 -2.493 1.00 0.00 C ATOM 1645 CD GLU A 97 8.847 10.027 -2.310 1.00 0.00 C ATOM 1646 OE1 GLU A 97 9.508 10.329 -1.292 1.00 0.00 O ATOM 1647 OE2 GLU A 97 8.654 10.857 -3.229 1.00 0.00 O ATOM 0 H GLU A 97 5.867 7.786 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 97 6.422 7.143 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.493 8.281 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.206 6.820 -1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.167 8.010 -2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.532 8.589 -3.198 1.00 0.00 H new ATOM 1654 N ASP A 98 4.891 9.032 0.610 1.00 0.00 N ATOM 1655 CA ASP A 98 4.307 10.016 1.525 1.00 0.00 C ATOM 1656 C ASP A 98 4.228 11.406 0.878 1.00 0.00 C ATOM 1657 O ASP A 98 5.017 12.316 1.152 1.00 0.00 O ATOM 1658 CB ASP A 98 5.016 9.920 2.887 1.00 0.00 C ATOM 1659 CG ASP A 98 4.745 11.100 3.807 1.00 0.00 C ATOM 1660 OD1 ASP A 98 3.586 11.555 3.880 1.00 0.00 O ATOM 1661 OD2 ASP A 98 5.679 11.537 4.523 1.00 0.00 O ATOM 0 H ASP A 98 4.365 8.158 0.611 1.00 0.00 H new ATOM 0 HA ASP A 98 3.260 9.794 1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.701 9.003 3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.090 9.840 2.722 1.00 0.00 H new ATOM 1666 N LYS A 99 3.295 11.533 -0.072 1.00 0.00 N ATOM 1667 CA LYS A 99 3.207 12.625 -1.005 1.00 0.00 C ATOM 1668 C LYS A 99 2.235 13.709 -0.516 1.00 0.00 C ATOM 1669 O LYS A 99 2.666 14.842 -0.294 1.00 0.00 O ATOM 1670 CB LYS A 99 2.861 12.006 -2.378 1.00 0.00 C ATOM 1671 CG LYS A 99 2.364 13.109 -3.294 1.00 0.00 C ATOM 1672 CD LYS A 99 2.393 12.836 -4.794 1.00 0.00 C ATOM 1673 CE LYS A 99 1.942 14.117 -5.513 1.00 0.00 C ATOM 1674 NZ LYS A 99 2.878 15.254 -5.321 1.00 0.00 N ATOM 0 H LYS A 99 2.557 10.841 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 99 4.150 13.163 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.739 11.524 -2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.098 11.236 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.337 13.344 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.959 14.002 -3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.397 12.553 -5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.733 12.005 -5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.843 13.912 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.955 14.402 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.748 15.944 -6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.685 15.712 -4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.857 14.903 -5.333 1.00 0.00 H new