USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 423 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 50 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.014) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.355 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.969 F(o=-2!,f=-0.97) USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.035) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.409 USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= -0.0132 (180deg=-0.126) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0184) USER MOD Single : A 41 SER OG : rot 64:sc= 0.941 USER MOD Single : A 44 THR OG1 : rot -73:sc= -1.49! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 81:sc= 0.0149 USER MOD Single : A 56 GLN : amide:sc= -4.96! C(o=-5!,f=-10!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 177 N PRO A 13 -9.984 1.801 5.956 1.00 0.00 N ATOM 178 CA PRO A 13 -9.086 2.959 5.979 1.00 0.00 C ATOM 179 C PRO A 13 -8.321 3.125 4.670 1.00 0.00 C ATOM 180 O PRO A 13 -8.614 2.455 3.679 1.00 0.00 O ATOM 181 CB PRO A 13 -8.122 2.639 7.124 1.00 0.00 C ATOM 182 CG PRO A 13 -8.119 1.152 7.212 1.00 0.00 C ATOM 183 CD PRO A 13 -9.410 0.638 6.654 1.00 0.00 C ATOM 0 HA PRO A 13 -9.631 3.894 6.111 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.123 3.026 6.920 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.454 3.090 8.059 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.276 0.742 6.655 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.002 0.835 8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.246 -0.196 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.071 0.279 7.443 1.00 0.00 H new ATOM 191 N TYR A 14 -7.340 4.021 4.673 1.00 0.00 N ATOM 192 CA TYR A 14 -6.535 4.276 3.484 1.00 0.00 C ATOM 193 C TYR A 14 -7.391 4.848 2.358 1.00 0.00 C ATOM 194 O TYR A 14 -8.223 4.150 1.780 1.00 0.00 O ATOM 195 CB TYR A 14 -5.854 2.988 3.018 1.00 0.00 C ATOM 196 CG TYR A 14 -5.140 2.246 4.125 1.00 0.00 C ATOM 197 CD1 TYR A 14 -3.998 2.771 4.717 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.607 1.018 4.579 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.342 2.096 5.728 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.959 0.337 5.591 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.827 0.880 6.162 1.00 0.00 C ATOM 202 OH TYR A 14 -3.178 0.203 7.169 1.00 0.00 O ATOM 0 H TYR A 14 -7.083 4.582 5.485 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.772 5.010 3.744 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.603 2.331 2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.138 3.229 2.233 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.616 3.724 4.381 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.492 0.589 4.133 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.455 2.518 6.176 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.337 -0.615 5.933 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.649 -0.636 7.356 1.00 0.00 H new ATOM 212 N SER A 15 -7.178 6.124 2.053 1.00 0.00 N ATOM 213 CA SER A 15 -7.931 6.793 0.999 1.00 0.00 C ATOM 214 C SER A 15 -7.562 6.234 -0.372 1.00 0.00 C ATOM 215 O SER A 15 -6.539 5.566 -0.528 1.00 0.00 O ATOM 216 CB SER A 15 -7.671 8.301 1.034 1.00 0.00 C ATOM 217 OG SER A 15 -8.655 9.006 0.298 1.00 0.00 O ATOM 0 H SER A 15 -6.491 6.715 2.521 1.00 0.00 H new ATOM 0 HA SER A 15 -8.991 6.610 1.173 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.667 8.648 2.067 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.684 8.513 0.623 1.00 0.00 H new ATOM 0 HG SER A 15 -8.467 9.967 0.338 1.00 0.00 H new ATOM 223 N LYS A 16 -8.401 6.512 -1.363 1.00 0.00 N ATOM 224 CA LYS A 16 -8.164 6.040 -2.722 1.00 0.00 C ATOM 225 C LYS A 16 -6.754 6.392 -3.183 1.00 0.00 C ATOM 226 O LYS A 16 -6.117 5.628 -3.907 1.00 0.00 O ATOM 227 CB LYS A 16 -9.192 6.645 -3.681 1.00 0.00 C ATOM 228 CG LYS A 16 -9.288 8.159 -3.593 1.00 0.00 C ATOM 229 CD LYS A 16 -10.435 8.694 -4.433 1.00 0.00 C ATOM 230 CE LYS A 16 -10.636 10.186 -4.215 1.00 0.00 C ATOM 231 NZ LYS A 16 -9.630 10.996 -4.957 1.00 0.00 N ATOM 0 H LYS A 16 -9.252 7.062 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.267 4.955 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.933 6.364 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.171 6.214 -3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.428 8.456 -2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.351 8.604 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.235 8.503 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.352 8.161 -4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.638 10.468 -4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.568 10.410 -3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.801 12.007 -4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.674 10.745 -4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.711 10.802 -5.976 1.00 0.00 H new ATOM 245 N GLY A 17 -6.270 7.555 -2.757 1.00 0.00 N ATOM 246 CA GLY A 17 -4.937 7.987 -3.134 1.00 0.00 C ATOM 247 C GLY A 17 -3.850 7.190 -2.441 1.00 0.00 C ATOM 248 O GLY A 17 -2.838 6.848 -3.051 1.00 0.00 O ATOM 0 H GLY A 17 -6.778 8.206 -2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.820 7.893 -4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.819 9.043 -2.892 1.00 0.00 H new ATOM 252 N GLN A 18 -4.060 6.895 -1.162 1.00 0.00 N ATOM 253 CA GLN A 18 -3.088 6.135 -0.384 1.00 0.00 C ATOM 254 C GLN A 18 -3.009 4.692 -0.872 1.00 0.00 C ATOM 255 O GLN A 18 -1.922 4.125 -0.993 1.00 0.00 O ATOM 256 CB GLN A 18 -3.457 6.164 1.100 1.00 0.00 C ATOM 257 CG GLN A 18 -3.245 7.520 1.753 1.00 0.00 C ATOM 258 CD GLN A 18 -3.696 7.548 3.200 1.00 0.00 C ATOM 259 OE1 GLN A 18 -3.332 6.517 3.954 1.00 0.00 O flip ATOM 260 NE2 GLN A 18 -4.364 8.486 3.637 1.00 0.00 N flip ATOM 0 H GLN A 18 -4.894 7.170 -0.643 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.111 6.599 -0.518 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.502 5.876 1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.863 5.419 1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.188 7.783 1.701 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.791 8.279 1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.622 9.258 3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.659 8.490 4.613 1.00 0.00 H new ATOM 269 N LEU A 19 -4.166 4.103 -1.152 1.00 0.00 N ATOM 270 CA LEU A 19 -4.229 2.726 -1.627 1.00 0.00 C ATOM 271 C LEU A 19 -3.708 2.619 -3.057 1.00 0.00 C ATOM 272 O LEU A 19 -3.255 1.557 -3.485 1.00 0.00 O ATOM 273 CB LEU A 19 -5.665 2.205 -1.555 1.00 0.00 C ATOM 274 CG LEU A 19 -6.286 2.140 -0.160 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.804 2.125 -0.251 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.784 0.916 0.592 1.00 0.00 C ATOM 0 H LEU A 19 -5.074 4.558 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.596 2.116 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.292 2.840 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.690 1.205 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.984 3.030 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.228 2.079 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.148 3.032 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.126 1.254 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.237 0.887 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.055 0.015 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.700 0.969 0.690 1.00 0.00 H new ATOM 288 N ARG A 20 -3.774 3.726 -3.789 1.00 0.00 N ATOM 289 CA ARG A 20 -3.308 3.757 -5.171 1.00 0.00 C ATOM 290 C ARG A 20 -1.846 3.328 -5.261 1.00 0.00 C ATOM 291 O ARG A 20 -1.432 2.708 -6.239 1.00 0.00 O ATOM 292 CB ARG A 20 -3.476 5.160 -5.756 1.00 0.00 C ATOM 293 CG ARG A 20 -3.299 5.215 -7.265 1.00 0.00 C ATOM 294 CD ARG A 20 -4.472 4.573 -7.988 1.00 0.00 C ATOM 295 NE ARG A 20 -4.652 5.118 -9.331 1.00 0.00 N ATOM 296 CZ ARG A 20 -5.250 6.278 -9.580 1.00 0.00 C ATOM 297 NH1 ARG A 20 -5.722 7.011 -8.581 1.00 0.00 N ATOM 298 NH2 ARG A 20 -5.375 6.706 -10.829 1.00 0.00 N ATOM 0 H ARG A 20 -4.145 4.613 -3.449 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.911 3.056 -5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.467 5.535 -5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.753 5.828 -5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.198 6.253 -7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.376 4.706 -7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.313 3.497 -8.052 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.383 4.727 -7.409 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.299 4.578 -10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.626 6.685 -7.619 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.181 7.901 -8.774 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.012 6.145 -11.599 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.834 7.597 -11.019 1.00 0.00 H new ATOM 312 N GLU A 21 -1.072 3.664 -4.235 1.00 0.00 N ATOM 313 CA GLU A 21 0.344 3.315 -4.200 1.00 0.00 C ATOM 314 C GLU A 21 0.548 1.931 -3.591 1.00 0.00 C ATOM 315 O GLU A 21 1.395 1.160 -4.044 1.00 0.00 O ATOM 316 CB GLU A 21 1.130 4.357 -3.401 1.00 0.00 C ATOM 317 CG GLU A 21 0.964 5.775 -3.921 1.00 0.00 C ATOM 318 CD GLU A 21 1.335 5.906 -5.385 1.00 0.00 C ATOM 319 OE1 GLU A 21 2.180 5.116 -5.855 1.00 0.00 O ATOM 320 OE2 GLU A 21 0.782 6.799 -6.060 1.00 0.00 O ATOM 0 H GLU A 21 -1.401 4.177 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 21 0.714 3.300 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.810 4.321 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.188 4.094 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.070 6.090 -3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.585 6.449 -3.331 1.00 0.00 H new ATOM 327 N LEU A 22 -0.234 1.623 -2.562 1.00 0.00 N ATOM 328 CA LEU A 22 -0.139 0.332 -1.889 1.00 0.00 C ATOM 329 C LEU A 22 -0.487 -0.806 -2.844 1.00 0.00 C ATOM 330 O LEU A 22 0.255 -1.781 -2.957 1.00 0.00 O ATOM 331 CB LEU A 22 -1.071 0.297 -0.676 1.00 0.00 C ATOM 332 CG LEU A 22 -0.691 1.213 0.488 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.856 1.358 1.455 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.539 0.679 1.208 1.00 0.00 C ATOM 0 H LEU A 22 -0.940 2.249 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 22 0.890 0.200 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.076 0.561 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.116 -0.727 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.453 2.198 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.567 2.013 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.711 1.786 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.125 0.378 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.795 1.344 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.329 -0.318 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.375 0.628 0.511 1.00 0.00 H new ATOM 346 N GLU A 23 -1.618 -0.673 -3.529 1.00 0.00 N ATOM 347 CA GLU A 23 -2.062 -1.690 -4.475 1.00 0.00 C ATOM 348 C GLU A 23 -1.099 -1.793 -5.654 1.00 0.00 C ATOM 349 O GLU A 23 -0.858 -2.881 -6.179 1.00 0.00 O ATOM 350 CB GLU A 23 -3.470 -1.369 -4.980 1.00 0.00 C ATOM 351 CG GLU A 23 -4.519 -1.344 -3.881 1.00 0.00 C ATOM 352 CD GLU A 23 -5.850 -0.795 -4.357 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.843 0.146 -5.179 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.898 -1.304 -3.908 1.00 0.00 O ATOM 0 H GLU A 23 -2.243 0.129 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.079 -2.649 -3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.456 -0.400 -5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.756 -2.109 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.663 -2.354 -3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.156 -0.738 -3.051 1.00 0.00 H new ATOM 361 N ARG A 24 -0.552 -0.654 -6.066 1.00 0.00 N ATOM 362 CA ARG A 24 0.383 -0.616 -7.184 1.00 0.00 C ATOM 363 C ARG A 24 1.687 -1.325 -6.827 1.00 0.00 C ATOM 364 O ARG A 24 2.053 -2.320 -7.450 1.00 0.00 O ATOM 365 CB ARG A 24 0.671 0.832 -7.586 1.00 0.00 C ATOM 366 CG ARG A 24 1.784 0.969 -8.612 1.00 0.00 C ATOM 367 CD ARG A 24 1.484 2.072 -9.615 1.00 0.00 C ATOM 368 NE ARG A 24 0.829 1.557 -10.814 1.00 0.00 N ATOM 369 CZ ARG A 24 0.641 2.276 -11.916 1.00 0.00 C ATOM 370 NH1 ARG A 24 1.057 3.534 -11.969 1.00 0.00 N ATOM 371 NH2 ARG A 24 0.037 1.737 -12.967 1.00 0.00 N ATOM 0 H ARG A 24 -0.740 0.255 -5.642 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.074 -1.136 -8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.239 1.276 -7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.937 1.401 -6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.724 1.183 -8.104 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.914 0.023 -9.138 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.847 2.823 -9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.412 2.570 -9.895 1.00 0.00 H new ATOM 0 HE ARG A 24 0.497 0.592 -10.805 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.522 3.952 -11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.912 4.084 -12.816 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.284 0.769 -12.930 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.107 2.290 -13.812 1.00 0.00 H new ATOM 385 N GLU A 25 2.382 -0.803 -5.821 1.00 0.00 N ATOM 386 CA GLU A 25 3.645 -1.386 -5.383 1.00 0.00 C ATOM 387 C GLU A 25 3.484 -2.875 -5.089 1.00 0.00 C ATOM 388 O GLU A 25 4.393 -3.669 -5.333 1.00 0.00 O ATOM 389 CB GLU A 25 4.162 -0.662 -4.139 1.00 0.00 C ATOM 390 CG GLU A 25 4.963 0.590 -4.452 1.00 0.00 C ATOM 391 CD GLU A 25 4.339 1.421 -5.556 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.671 1.183 -6.736 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.520 2.309 -5.240 1.00 0.00 O ATOM 0 H GLU A 25 2.092 0.021 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 25 4.369 -1.269 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.315 -0.393 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.784 -1.347 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.049 1.196 -3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.974 0.306 -4.743 1.00 0.00 H new ATOM 400 N TYR A 26 2.321 -3.246 -4.564 1.00 0.00 N ATOM 401 CA TYR A 26 2.042 -4.638 -4.233 1.00 0.00 C ATOM 402 C TYR A 26 1.964 -5.492 -5.494 1.00 0.00 C ATOM 403 O TYR A 26 2.567 -6.562 -5.571 1.00 0.00 O ATOM 404 CB TYR A 26 0.732 -4.744 -3.449 1.00 0.00 C ATOM 405 CG TYR A 26 0.262 -6.167 -3.247 1.00 0.00 C ATOM 406 CD1 TYR A 26 1.059 -7.096 -2.590 1.00 0.00 C ATOM 407 CD2 TYR A 26 -0.979 -6.582 -3.714 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.633 -8.397 -2.403 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.413 -7.881 -3.531 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.604 -8.785 -2.875 1.00 0.00 C ATOM 411 OH TYR A 26 -1.032 -10.079 -2.692 1.00 0.00 O ATOM 0 H TYR A 26 1.557 -2.602 -4.359 1.00 0.00 H new ATOM 0 HA TYR A 26 2.859 -5.010 -3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.861 -4.271 -2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.043 -4.185 -3.974 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.028 -6.796 -2.219 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.615 -5.877 -4.229 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.265 -9.107 -1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.381 -8.187 -3.900 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.924 -10.187 -3.083 1.00 0.00 H new ATOM 421 N ALA A 27 1.215 -5.011 -6.482 1.00 0.00 N ATOM 422 CA ALA A 27 1.059 -5.728 -7.741 1.00 0.00 C ATOM 423 C ALA A 27 2.405 -5.921 -8.433 1.00 0.00 C ATOM 424 O ALA A 27 2.577 -6.843 -9.229 1.00 0.00 O ATOM 425 CB ALA A 27 0.095 -4.987 -8.655 1.00 0.00 C ATOM 0 H ALA A 27 0.707 -4.128 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 27 0.648 -6.713 -7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.012 -5.534 -9.592 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.877 -4.906 -8.169 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.482 -3.989 -8.860 1.00 0.00 H new ATOM 431 N ALA A 28 3.354 -5.043 -8.125 1.00 0.00 N ATOM 432 CA ALA A 28 4.684 -5.118 -8.717 1.00 0.00 C ATOM 433 C ALA A 28 5.570 -6.098 -7.955 1.00 0.00 C ATOM 434 O ALA A 28 6.440 -6.743 -8.537 1.00 0.00 O ATOM 435 CB ALA A 28 5.326 -3.739 -8.749 1.00 0.00 C ATOM 0 H ALA A 28 3.227 -4.272 -7.469 1.00 0.00 H new ATOM 0 HA ALA A 28 4.579 -5.482 -9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.319 -3.810 -9.194 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.710 -3.064 -9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.410 -3.353 -7.733 1.00 0.00 H new ATOM 441 N ASN A 29 5.342 -6.203 -6.650 1.00 0.00 N ATOM 442 CA ASN A 29 6.121 -7.104 -5.808 1.00 0.00 C ATOM 443 C ASN A 29 5.406 -7.366 -4.486 1.00 0.00 C ATOM 444 O ASN A 29 4.977 -6.435 -3.803 1.00 0.00 O ATOM 445 CB ASN A 29 7.508 -6.516 -5.543 1.00 0.00 C ATOM 446 CG ASN A 29 7.479 -5.006 -5.401 1.00 0.00 C ATOM 447 OD1 ASN A 29 6.924 -4.527 -4.294 1.00 0.00 O flip ATOM 448 ND2 ASN A 29 7.951 -4.280 -6.276 1.00 0.00 N flip ATOM 0 H ASN A 29 4.624 -5.676 -6.153 1.00 0.00 H new ATOM 0 HA ASN A 29 6.230 -8.051 -6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.918 -6.956 -4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.177 -6.789 -6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.368 -4.692 -7.111 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.925 -3.266 -6.166 1.00 0.00 H new ATOM 455 N LYS A 30 5.283 -8.640 -4.129 1.00 0.00 N ATOM 456 CA LYS A 30 4.623 -9.026 -2.887 1.00 0.00 C ATOM 457 C LYS A 30 5.327 -8.411 -1.682 1.00 0.00 C ATOM 458 O LYS A 30 4.680 -7.923 -0.755 1.00 0.00 O ATOM 459 CB LYS A 30 4.597 -10.551 -2.752 1.00 0.00 C ATOM 460 CG LYS A 30 3.853 -11.248 -3.878 1.00 0.00 C ATOM 461 CD LYS A 30 3.691 -12.734 -3.602 1.00 0.00 C ATOM 462 CE LYS A 30 3.669 -13.541 -4.891 1.00 0.00 C ATOM 463 NZ LYS A 30 2.549 -13.130 -5.783 1.00 0.00 N ATOM 0 H LYS A 30 5.632 -9.423 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 30 3.600 -8.652 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.621 -10.922 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.132 -10.816 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.871 -10.791 -4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.393 -11.107 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.509 -13.079 -2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.767 -12.904 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.616 -13.414 -5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.575 -14.601 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.495 -13.779 -6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.654 -13.162 -5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.715 -12.162 -6.125 1.00 0.00 H new ATOM 477 N PHE A 31 6.655 -8.435 -1.702 1.00 0.00 N ATOM 478 CA PHE A 31 7.447 -7.878 -0.611 1.00 0.00 C ATOM 479 C PHE A 31 8.301 -6.712 -1.099 1.00 0.00 C ATOM 480 O PHE A 31 8.980 -6.811 -2.122 1.00 0.00 O ATOM 481 CB PHE A 31 8.341 -8.959 0.001 1.00 0.00 C ATOM 482 CG PHE A 31 7.578 -10.138 0.532 1.00 0.00 C ATOM 483 CD1 PHE A 31 7.154 -11.146 -0.318 1.00 0.00 C ATOM 484 CD2 PHE A 31 7.286 -10.239 1.883 1.00 0.00 C ATOM 485 CE1 PHE A 31 6.451 -12.232 0.168 1.00 0.00 C ATOM 486 CE2 PHE A 31 6.583 -11.323 2.376 1.00 0.00 C ATOM 487 CZ PHE A 31 6.166 -12.321 1.517 1.00 0.00 C ATOM 0 H PHE A 31 7.206 -8.834 -2.462 1.00 0.00 H new ATOM 0 HA PHE A 31 6.761 -7.508 0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.048 -9.304 -0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.926 -8.521 0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.375 -11.083 -1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.611 -9.462 2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.125 -13.010 -0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.360 -11.389 3.431 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.618 -13.170 1.899 1.00 0.00 H new ATOM 497 N ILE A 32 8.261 -5.608 -0.361 1.00 0.00 N ATOM 498 CA ILE A 32 9.030 -4.422 -0.717 1.00 0.00 C ATOM 499 C ILE A 32 10.296 -4.315 0.126 1.00 0.00 C ATOM 500 O ILE A 32 10.626 -5.223 0.891 1.00 0.00 O ATOM 501 CB ILE A 32 8.199 -3.138 -0.541 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.897 -2.898 0.939 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.909 -3.227 -1.343 1.00 0.00 C ATOM 504 CD1 ILE A 32 7.170 -1.599 1.205 1.00 0.00 C ATOM 0 H ILE A 32 7.704 -5.510 0.488 1.00 0.00 H new ATOM 0 HA ILE A 32 9.303 -4.526 -1.767 1.00 0.00 H new ATOM 0 HB ILE A 32 8.779 -2.294 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.296 -3.725 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.833 -2.902 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.333 -2.312 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.145 -3.355 -2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.323 -4.079 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.989 -1.496 2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.778 -0.764 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.218 -1.600 0.675 1.00 0.00 H new ATOM 516 N THR A 33 11.003 -3.198 -0.016 1.00 0.00 N ATOM 517 CA THR A 33 12.233 -2.971 0.732 1.00 0.00 C ATOM 518 C THR A 33 12.163 -1.669 1.522 1.00 0.00 C ATOM 519 O THR A 33 11.309 -0.820 1.265 1.00 0.00 O ATOM 520 CB THR A 33 13.458 -2.927 -0.200 1.00 0.00 C ATOM 521 OG1 THR A 33 14.632 -2.597 0.550 1.00 0.00 O ATOM 522 CG2 THR A 33 13.256 -1.907 -1.311 1.00 0.00 C ATOM 0 H THR A 33 10.744 -2.436 -0.643 1.00 0.00 H new ATOM 0 HA THR A 33 12.342 -3.807 1.423 1.00 0.00 H new ATOM 0 HB THR A 33 13.580 -3.912 -0.651 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.407 -2.573 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.134 -1.894 -1.957 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.378 -2.177 -1.898 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.111 -0.918 -0.875 1.00 0.00 H new ATOM 530 N LYS A 34 13.066 -1.517 2.485 1.00 0.00 N ATOM 531 CA LYS A 34 13.109 -0.317 3.312 1.00 0.00 C ATOM 532 C LYS A 34 13.267 0.932 2.451 1.00 0.00 C ATOM 533 O LYS A 34 12.895 2.031 2.862 1.00 0.00 O ATOM 534 CB LYS A 34 14.260 -0.407 4.317 1.00 0.00 C ATOM 535 CG LYS A 34 13.814 -0.776 5.721 1.00 0.00 C ATOM 536 CD LYS A 34 15.002 -1.050 6.629 1.00 0.00 C ATOM 537 CE LYS A 34 14.554 -1.498 8.012 1.00 0.00 C ATOM 538 NZ LYS A 34 13.767 -0.443 8.708 1.00 0.00 N ATOM 0 H LYS A 34 13.778 -2.211 2.712 1.00 0.00 H new ATOM 0 HA LYS A 34 12.166 -0.245 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.980 -1.147 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.779 0.551 4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.215 0.034 6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.174 -1.658 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.633 -1.819 6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.610 -0.150 6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.951 -2.402 7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.427 -1.755 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.625 -0.715 9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.282 0.459 8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.843 -0.336 8.243 1.00 0.00 H new ATOM 552 N ASP A 35 13.819 0.755 1.256 1.00 0.00 N ATOM 553 CA ASP A 35 14.024 1.868 0.336 1.00 0.00 C ATOM 554 C ASP A 35 12.726 2.227 -0.380 1.00 0.00 C ATOM 555 O ASP A 35 12.568 3.340 -0.882 1.00 0.00 O ATOM 556 CB ASP A 35 15.106 1.520 -0.686 1.00 0.00 C ATOM 557 CG ASP A 35 16.080 2.660 -0.910 1.00 0.00 C ATOM 558 OD1 ASP A 35 15.654 3.830 -0.816 1.00 0.00 O ATOM 559 OD2 ASP A 35 17.268 2.383 -1.179 1.00 0.00 O ATOM 0 H ASP A 35 14.133 -0.148 0.901 1.00 0.00 H new ATOM 0 HA ASP A 35 14.348 2.732 0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.653 0.640 -0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.636 1.257 -1.633 1.00 0.00 H new ATOM 564 N LYS A 36 11.799 1.276 -0.425 1.00 0.00 N ATOM 565 CA LYS A 36 10.514 1.490 -1.080 1.00 0.00 C ATOM 566 C LYS A 36 9.451 1.909 -0.069 1.00 0.00 C ATOM 567 O LYS A 36 8.625 2.778 -0.348 1.00 0.00 O ATOM 568 CB LYS A 36 10.069 0.217 -1.805 1.00 0.00 C ATOM 569 CG LYS A 36 8.636 0.271 -2.306 1.00 0.00 C ATOM 570 CD LYS A 36 8.419 1.442 -3.249 1.00 0.00 C ATOM 571 CE LYS A 36 9.307 1.340 -4.480 1.00 0.00 C ATOM 572 NZ LYS A 36 8.983 2.388 -5.486 1.00 0.00 N ATOM 0 H LYS A 36 11.914 0.349 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 36 10.635 2.292 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.734 0.039 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.177 -0.632 -1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.393 -0.660 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.956 0.355 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.373 1.475 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.627 2.375 -2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.352 1.433 -4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.190 0.355 -4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.610 2.284 -6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.993 2.284 -5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.119 3.329 -5.064 1.00 0.00 H new ATOM 586 N ARG A 37 9.479 1.286 1.105 1.00 0.00 N ATOM 587 CA ARG A 37 8.519 1.596 2.157 1.00 0.00 C ATOM 588 C ARG A 37 8.668 3.041 2.622 1.00 0.00 C ATOM 589 O ARG A 37 7.685 3.699 2.961 1.00 0.00 O ATOM 590 CB ARG A 37 8.703 0.645 3.341 1.00 0.00 C ATOM 591 CG ARG A 37 7.397 0.229 3.998 1.00 0.00 C ATOM 592 CD ARG A 37 7.602 -0.931 4.959 1.00 0.00 C ATOM 593 NE ARG A 37 8.340 -2.030 4.342 1.00 0.00 N ATOM 594 CZ ARG A 37 8.891 -3.023 5.031 1.00 0.00 C ATOM 595 NH1 ARG A 37 8.787 -3.056 6.352 1.00 0.00 N ATOM 596 NH2 ARG A 37 9.547 -3.987 4.398 1.00 0.00 N ATOM 0 H ARG A 37 10.156 0.564 1.351 1.00 0.00 H new ATOM 0 HA ARG A 37 7.517 1.467 1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.229 -0.247 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.338 1.125 4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.972 1.077 4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.677 -0.056 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.142 -0.581 5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.633 -1.293 5.302 1.00 0.00 H new ATOM 0 HE ARG A 37 8.438 -2.035 3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.283 -2.317 6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.211 -3.820 6.878 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.629 -3.966 3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.970 -4.749 4.928 1.00 0.00 H new ATOM 610 N ARG A 38 9.905 3.527 2.636 1.00 0.00 N ATOM 611 CA ARG A 38 10.184 4.894 3.062 1.00 0.00 C ATOM 612 C ARG A 38 9.437 5.898 2.189 1.00 0.00 C ATOM 613 O ARG A 38 8.890 6.883 2.686 1.00 0.00 O ATOM 614 CB ARG A 38 11.687 5.171 3.006 1.00 0.00 C ATOM 615 CG ARG A 38 12.286 5.005 1.619 1.00 0.00 C ATOM 616 CD ARG A 38 13.798 5.168 1.641 1.00 0.00 C ATOM 617 NE ARG A 38 14.196 6.573 1.665 1.00 0.00 N ATOM 618 CZ ARG A 38 15.440 6.980 1.892 1.00 0.00 C ATOM 619 NH1 ARG A 38 16.401 6.094 2.113 1.00 0.00 N ATOM 620 NH2 ARG A 38 15.725 8.276 1.898 1.00 0.00 N ATOM 0 H ARG A 38 10.730 2.995 2.358 1.00 0.00 H new ATOM 0 HA ARG A 38 9.839 5.006 4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.874 6.187 3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.198 4.499 3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.031 4.020 1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.850 5.740 0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.205 4.661 2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.228 4.684 0.764 1.00 0.00 H new ATOM 0 HE ARG A 38 13.480 7.280 1.498 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.186 5.097 2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.355 6.409 2.287 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.988 8.961 1.728 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.681 8.587 2.072 1.00 0.00 H new ATOM 634 N LYS A 39 9.420 5.643 0.885 1.00 0.00 N ATOM 635 CA LYS A 39 8.741 6.523 -0.058 1.00 0.00 C ATOM 636 C LYS A 39 7.229 6.465 0.136 1.00 0.00 C ATOM 637 O LYS A 39 6.578 7.494 0.325 1.00 0.00 O ATOM 638 CB LYS A 39 9.096 6.135 -1.495 1.00 0.00 C ATOM 639 CG LYS A 39 10.589 6.144 -1.776 1.00 0.00 C ATOM 640 CD LYS A 39 11.075 7.530 -2.164 1.00 0.00 C ATOM 641 CE LYS A 39 10.930 7.774 -3.658 1.00 0.00 C ATOM 642 NZ LYS A 39 11.992 7.081 -4.439 1.00 0.00 N ATOM 0 H LYS A 39 9.869 4.833 0.457 1.00 0.00 H new ATOM 0 HA LYS A 39 9.075 7.543 0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.702 5.140 -1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.601 6.823 -2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.128 5.802 -0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.813 5.441 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.509 8.282 -1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.120 7.644 -1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.951 7.427 -3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.973 8.845 -3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.952 7.392 -5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.924 7.314 -4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.842 6.053 -4.392 1.00 0.00 H new ATOM 656 N ILE A 40 6.676 5.258 0.089 1.00 0.00 N ATOM 657 CA ILE A 40 5.242 5.067 0.263 1.00 0.00 C ATOM 658 C ILE A 40 4.746 5.751 1.532 1.00 0.00 C ATOM 659 O ILE A 40 3.615 6.235 1.588 1.00 0.00 O ATOM 660 CB ILE A 40 4.875 3.572 0.322 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.328 2.863 -0.955 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.377 3.402 0.527 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.048 1.376 -0.953 1.00 0.00 C ATOM 0 H ILE A 40 7.200 4.397 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 40 4.757 5.517 -0.603 1.00 0.00 H new ATOM 0 HB ILE A 40 5.391 3.119 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.828 3.317 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.398 3.023 -1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.133 2.340 0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.082 3.877 1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.841 3.867 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.396 0.939 -1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.570 0.909 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.976 1.208 -0.850 1.00 0.00 H new ATOM 675 N SER A 41 5.600 5.790 2.550 1.00 0.00 N ATOM 676 CA SER A 41 5.249 6.414 3.820 1.00 0.00 C ATOM 677 C SER A 41 4.977 7.904 3.637 1.00 0.00 C ATOM 678 O SER A 41 4.122 8.478 4.310 1.00 0.00 O ATOM 679 CB SER A 41 6.370 6.210 4.840 1.00 0.00 C ATOM 680 OG SER A 41 6.419 7.281 5.766 1.00 0.00 O ATOM 0 H SER A 41 6.541 5.396 2.520 1.00 0.00 H new ATOM 0 HA SER A 41 4.340 5.940 4.190 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.215 5.272 5.373 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.326 6.129 4.323 1.00 0.00 H new ATOM 0 HG SER A 41 5.587 7.304 6.284 1.00 0.00 H new ATOM 686 N ALA A 42 5.714 8.525 2.721 1.00 0.00 N ATOM 687 CA ALA A 42 5.552 9.947 2.447 1.00 0.00 C ATOM 688 C ALA A 42 4.547 10.180 1.324 1.00 0.00 C ATOM 689 O ALA A 42 3.890 11.219 1.272 1.00 0.00 O ATOM 690 CB ALA A 42 6.894 10.572 2.094 1.00 0.00 C ATOM 0 H ALA A 42 6.429 8.065 2.157 1.00 0.00 H new ATOM 0 HA ALA A 42 5.166 10.423 3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.759 11.634 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.584 10.447 2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.302 10.083 1.209 1.00 0.00 H new ATOM 696 N ALA A 43 4.432 9.205 0.428 1.00 0.00 N ATOM 697 CA ALA A 43 3.505 9.303 -0.693 1.00 0.00 C ATOM 698 C ALA A 43 2.066 9.086 -0.236 1.00 0.00 C ATOM 699 O ALA A 43 1.128 9.618 -0.830 1.00 0.00 O ATOM 700 CB ALA A 43 3.875 8.298 -1.773 1.00 0.00 C ATOM 0 H ALA A 43 4.969 8.338 0.457 1.00 0.00 H new ATOM 0 HA ALA A 43 3.579 10.309 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.174 8.382 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.885 8.501 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.831 7.289 -1.362 1.00 0.00 H new ATOM 706 N THR A 44 1.899 8.299 0.823 1.00 0.00 N ATOM 707 CA THR A 44 0.574 8.009 1.358 1.00 0.00 C ATOM 708 C THR A 44 0.453 8.471 2.805 1.00 0.00 C ATOM 709 O THR A 44 -0.514 8.143 3.493 1.00 0.00 O ATOM 710 CB THR A 44 0.254 6.504 1.282 1.00 0.00 C ATOM 711 OG1 THR A 44 1.075 5.782 2.207 1.00 0.00 O ATOM 712 CG2 THR A 44 0.480 5.973 -0.126 1.00 0.00 C ATOM 0 H THR A 44 2.665 7.851 1.327 1.00 0.00 H new ATOM 0 HA THR A 44 -0.142 8.556 0.744 1.00 0.00 H new ATOM 0 HB THR A 44 -0.795 6.364 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.995 5.749 1.871 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.248 4.908 -0.155 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.167 6.505 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.522 6.125 -0.409 1.00 0.00 H new ATOM 720 N SER A 45 1.441 9.233 3.263 1.00 0.00 N ATOM 721 CA SER A 45 1.446 9.737 4.632 1.00 0.00 C ATOM 722 C SER A 45 1.233 8.603 5.629 1.00 0.00 C ATOM 723 O SER A 45 0.660 8.803 6.701 1.00 0.00 O ATOM 724 CB SER A 45 0.360 10.800 4.810 1.00 0.00 C ATOM 725 OG SER A 45 0.385 11.739 3.749 1.00 0.00 O ATOM 0 H SER A 45 2.248 9.515 2.707 1.00 0.00 H new ATOM 0 HA SER A 45 2.420 10.187 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.618 10.321 4.853 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.504 11.316 5.759 1.00 0.00 H new ATOM 0 HG SER A 45 -0.320 12.406 3.886 1.00 0.00 H new ATOM 731 N LEU A 46 1.697 7.412 5.269 1.00 0.00 N ATOM 732 CA LEU A 46 1.557 6.243 6.131 1.00 0.00 C ATOM 733 C LEU A 46 2.880 5.910 6.814 1.00 0.00 C ATOM 734 O LEU A 46 3.911 6.515 6.521 1.00 0.00 O ATOM 735 CB LEU A 46 1.072 5.041 5.320 1.00 0.00 C ATOM 736 CG LEU A 46 -0.389 5.081 4.869 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.642 4.045 3.785 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.319 4.856 6.052 1.00 0.00 C ATOM 0 H LEU A 46 2.174 7.230 4.386 1.00 0.00 H new ATOM 0 HA LEU A 46 0.820 6.475 6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.702 4.947 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.223 4.141 5.916 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.594 6.068 4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.687 4.088 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.002 4.252 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.419 3.051 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.354 4.888 5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.113 3.883 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.157 5.636 6.796 1.00 0.00 H new ATOM 750 N SER A 47 2.843 4.942 7.724 1.00 0.00 N ATOM 751 CA SER A 47 4.038 4.528 8.450 1.00 0.00 C ATOM 752 C SER A 47 4.623 3.253 7.851 1.00 0.00 C ATOM 753 O SER A 47 3.912 2.462 7.232 1.00 0.00 O ATOM 754 CB SER A 47 3.712 4.308 9.928 1.00 0.00 C ATOM 755 OG SER A 47 3.916 5.494 10.677 1.00 0.00 O ATOM 0 H SER A 47 1.998 4.429 7.976 1.00 0.00 H new ATOM 0 HA SER A 47 4.779 5.323 8.363 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.677 3.983 10.031 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.338 3.510 10.327 1.00 0.00 H new ATOM 0 HG SER A 47 3.699 5.328 11.618 1.00 0.00 H new ATOM 761 N GLU A 48 5.925 3.061 8.040 1.00 0.00 N ATOM 762 CA GLU A 48 6.606 1.882 7.517 1.00 0.00 C ATOM 763 C GLU A 48 5.916 0.604 7.984 1.00 0.00 C ATOM 764 O GLU A 48 5.851 -0.382 7.249 1.00 0.00 O ATOM 765 CB GLU A 48 8.071 1.875 7.960 1.00 0.00 C ATOM 766 CG GLU A 48 8.810 3.164 7.641 1.00 0.00 C ATOM 767 CD GLU A 48 10.281 3.099 8.005 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.927 2.080 7.684 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.785 4.067 8.611 1.00 0.00 O ATOM 0 H GLU A 48 6.528 3.706 8.551 1.00 0.00 H new ATOM 0 HA GLU A 48 6.563 1.921 6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.116 1.697 9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.584 1.043 7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.712 3.381 6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.343 3.989 8.179 1.00 0.00 H new ATOM 776 N ARG A 49 5.404 0.628 9.210 1.00 0.00 N ATOM 777 CA ARG A 49 4.720 -0.529 9.775 1.00 0.00 C ATOM 778 C ARG A 49 3.338 -0.701 9.153 1.00 0.00 C ATOM 779 O ARG A 49 2.963 -1.800 8.747 1.00 0.00 O ATOM 780 CB ARG A 49 4.594 -0.381 11.293 1.00 0.00 C ATOM 781 CG ARG A 49 4.034 -1.616 11.980 1.00 0.00 C ATOM 782 CD ARG A 49 5.012 -2.780 11.917 1.00 0.00 C ATOM 783 NE ARG A 49 6.180 -2.560 12.764 1.00 0.00 N ATOM 784 CZ ARG A 49 7.298 -3.272 12.675 1.00 0.00 C ATOM 785 NH1 ARG A 49 7.397 -4.245 11.780 1.00 0.00 N ATOM 786 NH2 ARG A 49 8.319 -3.012 13.481 1.00 0.00 N ATOM 0 H ARG A 49 5.450 1.436 9.831 1.00 0.00 H new ATOM 0 HA ARG A 49 5.312 -1.416 9.551 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.576 -0.157 11.711 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.951 0.471 11.515 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.809 -1.384 13.021 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.095 -1.902 11.507 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.507 -3.695 12.227 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.334 -2.927 10.886 1.00 0.00 H new ATOM 0 HE ARG A 49 6.135 -1.819 13.463 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.614 -4.448 11.158 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.256 -4.791 11.713 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.247 -2.264 14.171 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.176 -3.560 13.411 1.00 0.00 H new ATOM 800 N GLN A 50 2.585 0.392 9.084 1.00 0.00 N ATOM 801 CA GLN A 50 1.244 0.361 8.513 1.00 0.00 C ATOM 802 C GLN A 50 1.265 -0.228 7.106 1.00 0.00 C ATOM 803 O GLN A 50 0.496 -1.137 6.792 1.00 0.00 O ATOM 804 CB GLN A 50 0.648 1.770 8.479 1.00 0.00 C ATOM 805 CG GLN A 50 0.252 2.295 9.850 1.00 0.00 C ATOM 806 CD GLN A 50 -0.896 3.282 9.787 1.00 0.00 C ATOM 807 OE1 GLN A 50 -0.783 4.415 10.256 1.00 0.00 O ATOM 808 NE2 GLN A 50 -2.012 2.857 9.204 1.00 0.00 N ATOM 0 H GLN A 50 2.881 1.310 9.416 1.00 0.00 H new ATOM 0 HA GLN A 50 0.623 -0.274 9.144 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.372 2.452 8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.229 1.769 7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.029 1.457 10.489 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.114 2.775 10.314 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.063 1.910 8.829 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.818 3.478 9.132 1.00 0.00 H new ATOM 817 N ILE A 51 2.149 0.295 6.263 1.00 0.00 N ATOM 818 CA ILE A 51 2.270 -0.180 4.891 1.00 0.00 C ATOM 819 C ILE A 51 2.528 -1.682 4.850 1.00 0.00 C ATOM 820 O ILE A 51 1.955 -2.401 4.031 1.00 0.00 O ATOM 821 CB ILE A 51 3.403 0.545 4.142 1.00 0.00 C ATOM 822 CG1 ILE A 51 3.152 2.055 4.130 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.525 0.013 2.722 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.368 2.866 3.743 1.00 0.00 C ATOM 0 H ILE A 51 2.792 1.048 6.507 1.00 0.00 H new ATOM 0 HA ILE A 51 1.323 0.037 4.397 1.00 0.00 H new ATOM 0 HB ILE A 51 4.342 0.355 4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.342 2.275 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.817 2.367 5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.330 0.536 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.745 -1.054 2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.587 0.176 2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.117 3.927 3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.173 2.675 4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.691 2.582 2.742 1.00 0.00 H new ATOM 836 N THR A 52 3.396 -2.152 5.742 1.00 0.00 N ATOM 837 CA THR A 52 3.730 -3.569 5.809 1.00 0.00 C ATOM 838 C THR A 52 2.500 -4.410 6.130 1.00 0.00 C ATOM 839 O THR A 52 2.200 -5.379 5.433 1.00 0.00 O ATOM 840 CB THR A 52 4.815 -3.840 6.868 1.00 0.00 C ATOM 841 OG1 THR A 52 5.997 -3.092 6.562 1.00 0.00 O ATOM 842 CG2 THR A 52 5.150 -5.323 6.932 1.00 0.00 C ATOM 0 H THR A 52 3.880 -1.572 6.427 1.00 0.00 H new ATOM 0 HA THR A 52 4.112 -3.851 4.828 1.00 0.00 H new ATOM 0 HB THR A 52 4.430 -3.528 7.839 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.889 -2.168 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.918 -5.490 7.687 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.255 -5.887 7.194 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.517 -5.655 5.961 1.00 0.00 H new ATOM 850 N ILE A 53 1.792 -4.033 7.190 1.00 0.00 N ATOM 851 CA ILE A 53 0.593 -4.753 7.602 1.00 0.00 C ATOM 852 C ILE A 53 -0.371 -4.929 6.434 1.00 0.00 C ATOM 853 O ILE A 53 -0.839 -6.035 6.164 1.00 0.00 O ATOM 854 CB ILE A 53 -0.134 -4.025 8.748 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.797 -3.864 9.951 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.393 -4.782 9.142 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.347 -2.798 10.925 1.00 0.00 C ATOM 0 H ILE A 53 2.028 -3.234 7.778 1.00 0.00 H new ATOM 0 HA ILE A 53 0.918 -5.733 7.953 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.424 -3.033 8.402 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.868 -4.817 10.475 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.798 -3.620 9.595 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.896 -4.255 9.953 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.061 -4.849 8.283 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.126 -5.786 9.472 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.054 -2.739 11.752 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.303 -1.835 10.416 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.641 -3.050 11.310 1.00 0.00 H new ATOM 869 N TRP A 54 -0.661 -3.833 5.743 1.00 0.00 N ATOM 870 CA TRP A 54 -1.569 -3.866 4.602 1.00 0.00 C ATOM 871 C TRP A 54 -1.093 -4.871 3.558 1.00 0.00 C ATOM 872 O TRP A 54 -1.891 -5.623 2.997 1.00 0.00 O ATOM 873 CB TRP A 54 -1.684 -2.476 3.974 1.00 0.00 C ATOM 874 CG TRP A 54 -2.768 -2.378 2.944 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.068 -2.014 3.153 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.646 -2.648 1.543 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.761 -2.043 1.967 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.911 -2.428 0.964 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.591 -3.054 0.721 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.147 -2.601 -0.397 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.827 -3.225 -0.629 1.00 0.00 C ATOM 882 CH2 TRP A 54 -3.096 -2.998 -1.178 1.00 0.00 C ATOM 0 H TRP A 54 -0.281 -2.910 5.953 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.551 -4.177 4.959 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.872 -1.744 4.760 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.731 -2.213 3.515 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.489 -1.743 4.110 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.748 -1.815 1.852 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.609 -3.231 1.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.125 -2.428 -0.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.019 -3.539 -1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.247 -3.139 -2.238 1.00 0.00 H new ATOM 893 N PHE A 55 0.211 -4.878 3.301 1.00 0.00 N ATOM 894 CA PHE A 55 0.792 -5.791 2.323 1.00 0.00 C ATOM 895 C PHE A 55 0.653 -7.240 2.781 1.00 0.00 C ATOM 896 O PHE A 55 0.585 -8.156 1.962 1.00 0.00 O ATOM 897 CB PHE A 55 2.268 -5.455 2.096 1.00 0.00 C ATOM 898 CG PHE A 55 2.500 -4.533 0.933 1.00 0.00 C ATOM 899 CD1 PHE A 55 1.990 -3.245 0.941 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.230 -4.954 -0.167 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.202 -2.395 -0.128 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.445 -4.108 -1.239 1.00 0.00 C ATOM 903 CZ PHE A 55 2.932 -2.826 -1.219 1.00 0.00 C ATOM 0 H PHE A 55 0.885 -4.262 3.756 1.00 0.00 H new ATOM 0 HA PHE A 55 0.250 -5.672 1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.671 -4.997 2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.822 -6.379 1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.421 -2.901 1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.636 -5.955 -0.187 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.797 -1.394 -0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.014 -4.449 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.101 -2.162 -2.054 1.00 0.00 H new ATOM 913 N GLN A 56 0.612 -7.437 4.095 1.00 0.00 N ATOM 914 CA GLN A 56 0.483 -8.774 4.662 1.00 0.00 C ATOM 915 C GLN A 56 -0.951 -9.280 4.541 1.00 0.00 C ATOM 916 O GLN A 56 -1.196 -10.357 3.999 1.00 0.00 O ATOM 917 CB GLN A 56 0.913 -8.772 6.130 1.00 0.00 C ATOM 918 CG GLN A 56 2.413 -8.621 6.323 1.00 0.00 C ATOM 919 CD GLN A 56 2.774 -8.089 7.697 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.893 -6.880 7.895 1.00 0.00 O ATOM 921 NE2 GLN A 56 2.949 -8.992 8.654 1.00 0.00 N ATOM 0 H GLN A 56 0.666 -6.689 4.786 1.00 0.00 H new ATOM 0 HA GLN A 56 1.134 -9.444 4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.405 -7.959 6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.586 -9.701 6.597 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.894 -9.588 6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.808 -7.948 5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.840 -9.984 8.445 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.192 -8.694 9.599 1.00 0.00 H new ATOM 930 N ASN A 57 -1.895 -8.496 5.051 1.00 0.00 N ATOM 931 CA ASN A 57 -3.305 -8.865 5.001 1.00 0.00 C ATOM 932 C ASN A 57 -3.731 -9.194 3.573 1.00 0.00 C ATOM 933 O ASN A 57 -4.512 -10.117 3.345 1.00 0.00 O ATOM 934 CB ASN A 57 -4.171 -7.732 5.555 1.00 0.00 C ATOM 935 CG ASN A 57 -4.485 -7.912 7.028 1.00 0.00 C ATOM 936 OD1 ASN A 57 -5.078 -8.913 7.430 1.00 0.00 O ATOM 937 ND2 ASN A 57 -4.088 -6.939 7.840 1.00 0.00 N ATOM 0 H ASN A 57 -1.709 -7.601 5.504 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.444 -9.754 5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.658 -6.781 5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.102 -7.681 4.991 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.272 -7.004 8.841 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.599 -6.127 7.462 1.00 0.00 H new ATOM 944 N ARG A 58 -3.211 -8.432 2.616 1.00 0.00 N ATOM 945 CA ARG A 58 -3.538 -8.642 1.211 1.00 0.00 C ATOM 946 C ARG A 58 -3.194 -10.065 0.779 1.00 0.00 C ATOM 947 O ARG A 58 -3.996 -10.739 0.134 1.00 0.00 O ATOM 948 CB ARG A 58 -2.787 -7.636 0.336 1.00 0.00 C ATOM 949 CG ARG A 58 -3.563 -7.205 -0.898 1.00 0.00 C ATOM 950 CD ARG A 58 -4.832 -6.454 -0.524 1.00 0.00 C ATOM 951 NE ARG A 58 -5.459 -5.827 -1.684 1.00 0.00 N ATOM 952 CZ ARG A 58 -6.482 -4.984 -1.600 1.00 0.00 C ATOM 953 NH1 ARG A 58 -6.990 -4.669 -0.416 1.00 0.00 N ATOM 954 NH2 ARG A 58 -6.999 -4.454 -2.701 1.00 0.00 N ATOM 0 H ARG A 58 -2.562 -7.664 2.788 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.611 -8.493 1.087 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.550 -6.755 0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.839 -8.075 0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.934 -6.570 -1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.820 -8.082 -1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.537 -7.143 -0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.596 -5.691 0.217 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.091 -6.048 -2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.595 -5.074 0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.776 -4.021 -0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.611 -4.694 -3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.785 -3.807 -2.635 1.00 0.00 H new ATOM 968 N ARG A 59 -1.995 -10.513 1.139 1.00 0.00 N ATOM 969 CA ARG A 59 -1.545 -11.854 0.787 1.00 0.00 C ATOM 970 C ARG A 59 -2.223 -12.903 1.664 1.00 0.00 C ATOM 971 O ARG A 59 -2.850 -13.836 1.162 1.00 0.00 O ATOM 972 CB ARG A 59 -0.025 -11.959 0.931 1.00 0.00 C ATOM 973 CG ARG A 59 0.739 -11.002 0.031 1.00 0.00 C ATOM 974 CD ARG A 59 2.209 -11.377 -0.061 1.00 0.00 C ATOM 975 NE ARG A 59 3.081 -10.291 0.380 1.00 0.00 N ATOM 976 CZ ARG A 59 3.325 -10.018 1.656 1.00 0.00 C ATOM 977 NH1 ARG A 59 2.768 -10.747 2.613 1.00 0.00 N ATOM 978 NH2 ARG A 59 4.130 -9.013 1.978 1.00 0.00 N ATOM 0 H ARG A 59 -1.319 -9.967 1.673 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.819 -12.041 -0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.248 -11.765 1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.283 -12.980 0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.298 -11.008 -0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.645 -9.986 0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.396 -12.262 0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.452 -11.641 -1.090 1.00 0.00 H new ATOM 0 HE ARG A 59 3.526 -9.711 -0.331 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.149 -11.521 2.370 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.958 -10.534 3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.561 -8.450 1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.317 -8.804 2.959 1.00 0.00 H new ATOM 992 N VAL A 60 -2.091 -12.743 2.977 1.00 0.00 N ATOM 993 CA VAL A 60 -2.691 -13.675 3.925 1.00 0.00 C ATOM 994 C VAL A 60 -4.173 -13.882 3.629 1.00 0.00 C ATOM 995 O VAL A 60 -4.725 -14.952 3.885 1.00 0.00 O ATOM 996 CB VAL A 60 -2.533 -13.182 5.375 1.00 0.00 C ATOM 997 CG1 VAL A 60 -3.047 -14.226 6.354 1.00 0.00 C ATOM 998 CG2 VAL A 60 -1.080 -12.837 5.664 1.00 0.00 C ATOM 0 H VAL A 60 -1.574 -11.977 3.409 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.164 -14.623 3.812 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.129 -12.278 5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.927 -13.859 7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.102 -14.419 6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.481 -15.149 6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.986 -12.490 6.693 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.461 -13.722 5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.751 -12.051 4.985 1.00 0.00 H new