USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 723 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 79 HIS : no HE2:sc= 1.26 K(o=1.4,f=-4.2!) USER MOD Set 1.2: B 305 THR OG1 : rot 144:sc= 0.178 USER MOD Single : A 19 LYS NZ :NH3+ 136:sc= 0.067 (180deg=-0.325) USER MOD Single : A 26 SER OG : rot -118:sc= -0.83 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.58 K(o=0.58,f=-4.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.064) USER MOD Single : A 57 SER OG : rot -89:sc= -0.156 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.867 X(o=-0.87,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= 0.278 (180deg=0.043) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.8!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 81 GLN : amide:sc= -0.574 K(o=-0.57,f=-4.2!) USER MOD Single : A 84 SER OG : rot 103:sc= 1.22 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0472 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 12 12.537 -1.824 -24.069 1.00 0.00 N ATOM 165 CA GLU A 12 13.176 -1.112 -22.961 1.00 0.00 C ATOM 166 C GLU A 12 13.040 0.403 -23.125 1.00 0.00 C ATOM 167 O GLU A 12 13.716 1.011 -23.957 1.00 0.00 O ATOM 168 CB GLU A 12 14.654 -1.498 -22.867 1.00 0.00 C ATOM 169 CG GLU A 12 15.242 -1.296 -21.480 1.00 0.00 C ATOM 170 CD GLU A 12 16.668 -1.798 -21.372 1.00 0.00 C ATOM 171 OE1 GLU A 12 16.874 -3.027 -21.466 1.00 0.00 O ATOM 172 OE2 GLU A 12 17.579 -0.964 -21.191 1.00 0.00 O ATOM 0 HA GLU A 12 12.671 -1.401 -22.040 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.768 -2.543 -23.153 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.223 -0.907 -23.585 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.214 -0.236 -21.229 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.622 -1.814 -20.748 1.00 0.00 H new ATOM 179 N ILE A 13 12.152 1.000 -22.332 1.00 0.00 N ATOM 180 CA ILE A 13 11.910 2.447 -22.386 1.00 0.00 C ATOM 181 C ILE A 13 12.272 3.143 -21.073 1.00 0.00 C ATOM 182 O ILE A 13 12.311 2.514 -20.016 1.00 0.00 O ATOM 183 CB ILE A 13 10.438 2.744 -22.734 1.00 0.00 C ATOM 184 CG1 ILE A 13 9.508 2.053 -21.730 1.00 0.00 C ATOM 185 CG2 ILE A 13 10.140 2.294 -24.159 1.00 0.00 C ATOM 186 CD1 ILE A 13 8.034 2.243 -22.016 1.00 0.00 C ATOM 0 H ILE A 13 11.586 0.506 -21.642 1.00 0.00 H new ATOM 0 HA ILE A 13 12.557 2.842 -23.169 1.00 0.00 H new ATOM 0 HB ILE A 13 10.263 3.818 -22.672 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.730 0.986 -21.721 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.724 2.432 -20.731 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.098 2.507 -24.397 1.00 0.00 H new ATOM 0 HG22 ILE A 13 10.788 2.830 -24.853 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.321 1.223 -24.248 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.447 1.723 -21.259 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.793 3.306 -21.995 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.799 1.837 -23.000 1.00 0.00 H new ATOM 198 N ARG A 14 12.561 4.442 -21.160 1.00 0.00 N ATOM 199 CA ARG A 14 12.956 5.232 -19.991 1.00 0.00 C ATOM 200 C ARG A 14 11.758 5.875 -19.280 1.00 0.00 C ATOM 201 O ARG A 14 10.645 5.910 -19.805 1.00 0.00 O ATOM 202 CB ARG A 14 13.952 6.319 -20.417 1.00 0.00 C ATOM 203 CG ARG A 14 15.404 5.890 -20.289 1.00 0.00 C ATOM 204 CD ARG A 14 16.357 7.050 -20.556 1.00 0.00 C ATOM 205 NE ARG A 14 16.620 7.232 -21.984 1.00 0.00 N ATOM 206 CZ ARG A 14 17.466 8.136 -22.486 1.00 0.00 C ATOM 207 NH1 ARG A 14 18.144 8.957 -21.688 1.00 0.00 N ATOM 208 NH2 ARG A 14 17.636 8.222 -23.799 1.00 0.00 N ATOM 0 H ARG A 14 12.529 4.972 -22.031 1.00 0.00 H new ATOM 0 HA ARG A 14 13.422 4.549 -19.281 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.753 6.598 -21.452 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.789 7.209 -19.810 1.00 0.00 H new ATOM 0 HG2 ARG A 14 15.581 5.496 -19.288 1.00 0.00 H new ATOM 0 HG3 ARG A 14 15.608 5.081 -20.991 1.00 0.00 H new ATOM 0 HD2 ARG A 14 15.934 7.967 -20.146 1.00 0.00 H new ATOM 0 HD3 ARG A 14 17.298 6.872 -20.035 1.00 0.00 H new ATOM 0 HE ARG A 14 16.124 6.628 -22.640 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.022 8.902 -20.677 1.00 0.00 H new ATOM 0 HH12 ARG A 14 18.786 9.642 -22.087 1.00 0.00 H new ATOM 0 HH21 ARG A 14 17.122 7.599 -24.422 1.00 0.00 H new ATOM 0 HH22 ARG A 14 18.281 8.911 -24.186 1.00 0.00 H new ATOM 222 N VAL A 15 12.018 6.384 -18.073 1.00 0.00 N ATOM 223 CA VAL A 15 10.997 7.038 -17.254 1.00 0.00 C ATOM 224 C VAL A 15 11.635 8.160 -16.415 1.00 0.00 C ATOM 225 O VAL A 15 12.562 7.917 -15.644 1.00 0.00 O ATOM 226 CB VAL A 15 10.286 5.999 -16.332 1.00 0.00 C ATOM 227 CG1 VAL A 15 9.304 6.647 -15.352 1.00 0.00 C ATOM 228 CG2 VAL A 15 9.568 4.960 -17.180 1.00 0.00 C ATOM 0 H VAL A 15 12.940 6.354 -17.638 1.00 0.00 H new ATOM 0 HA VAL A 15 10.247 7.477 -17.912 1.00 0.00 H new ATOM 0 HB VAL A 15 11.061 5.521 -15.733 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.840 5.875 -14.738 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.839 7.348 -14.711 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.533 7.180 -15.908 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.074 4.238 -16.530 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.824 5.453 -17.806 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.291 4.444 -17.812 1.00 0.00 H new ATOM 238 N ARG A 16 11.126 9.383 -16.572 1.00 0.00 N ATOM 239 CA ARG A 16 11.639 10.535 -15.827 1.00 0.00 C ATOM 240 C ARG A 16 10.613 11.013 -14.799 1.00 0.00 C ATOM 241 O ARG A 16 9.548 11.512 -15.162 1.00 0.00 O ATOM 242 CB ARG A 16 11.987 11.679 -16.785 1.00 0.00 C ATOM 243 CG ARG A 16 13.023 12.648 -16.234 1.00 0.00 C ATOM 244 CD ARG A 16 13.168 13.876 -17.125 1.00 0.00 C ATOM 245 NE ARG A 16 14.496 14.484 -17.017 1.00 0.00 N ATOM 246 CZ ARG A 16 14.807 15.701 -17.475 1.00 0.00 C ATOM 247 NH1 ARG A 16 13.894 16.460 -18.076 1.00 0.00 N ATOM 248 NH2 ARG A 16 16.041 16.162 -17.330 1.00 0.00 N ATOM 0 H ARG A 16 10.359 9.602 -17.208 1.00 0.00 H new ATOM 0 HA ARG A 16 12.542 10.225 -15.302 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.358 11.258 -17.719 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.077 12.231 -17.023 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.735 12.958 -15.229 1.00 0.00 H new ATOM 0 HG3 ARG A 16 13.985 12.144 -16.148 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.982 13.595 -18.162 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.410 14.611 -16.854 1.00 0.00 H new ATOM 0 HE ARG A 16 15.232 13.943 -16.563 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.941 16.115 -18.193 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.147 17.386 -18.420 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.749 15.589 -16.871 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.283 17.090 -17.678 1.00 0.00 H new ATOM 262 N VAL A 17 10.939 10.856 -13.515 1.00 0.00 N ATOM 263 CA VAL A 17 10.041 11.271 -12.436 1.00 0.00 C ATOM 264 C VAL A 17 10.703 12.318 -11.542 1.00 0.00 C ATOM 265 O VAL A 17 11.801 12.104 -11.030 1.00 0.00 O ATOM 266 CB VAL A 17 9.611 10.071 -11.562 1.00 0.00 C ATOM 267 CG1 VAL A 17 8.508 10.477 -10.597 1.00 0.00 C ATOM 268 CG2 VAL A 17 9.161 8.902 -12.428 1.00 0.00 C ATOM 0 H VAL A 17 11.817 10.445 -13.197 1.00 0.00 H new ATOM 0 HA VAL A 17 9.159 11.701 -12.911 1.00 0.00 H new ATOM 0 HB VAL A 17 10.475 9.750 -10.981 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.220 9.618 -9.991 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.868 11.275 -9.947 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.644 10.830 -11.160 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.863 8.070 -11.790 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.315 9.209 -13.042 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.983 8.589 -13.073 1.00 0.00 H new ATOM 278 N GLU A 18 10.031 13.453 -11.363 1.00 0.00 N ATOM 279 CA GLU A 18 10.559 14.535 -10.534 1.00 0.00 C ATOM 280 C GLU A 18 9.887 14.556 -9.165 1.00 0.00 C ATOM 281 O GLU A 18 8.659 14.561 -9.068 1.00 0.00 O ATOM 282 CB GLU A 18 10.353 15.881 -11.227 1.00 0.00 C ATOM 283 CG GLU A 18 11.258 16.089 -12.428 1.00 0.00 C ATOM 284 CD GLU A 18 10.818 17.250 -13.295 1.00 0.00 C ATOM 285 OE1 GLU A 18 11.181 18.401 -12.975 1.00 0.00 O ATOM 286 OE2 GLU A 18 10.111 17.009 -14.296 1.00 0.00 O ATOM 0 H GLU A 18 9.121 13.648 -11.780 1.00 0.00 H new ATOM 0 HA GLU A 18 11.626 14.359 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.314 15.961 -11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.527 16.681 -10.508 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.278 16.263 -12.084 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.275 15.179 -13.027 1.00 0.00 H new ATOM 293 N LYS A 19 10.696 14.575 -8.109 1.00 0.00 N ATOM 294 CA LYS A 19 10.177 14.598 -6.745 1.00 0.00 C ATOM 295 C LYS A 19 9.586 15.969 -6.407 1.00 0.00 C ATOM 296 O LYS A 19 10.304 16.966 -6.349 1.00 0.00 O ATOM 297 CB LYS A 19 11.294 14.240 -5.758 1.00 0.00 C ATOM 298 CG LYS A 19 10.858 13.276 -4.670 1.00 0.00 C ATOM 299 CD LYS A 19 10.799 11.846 -5.185 1.00 0.00 C ATOM 300 CE LYS A 19 12.188 11.253 -5.362 1.00 0.00 C ATOM 301 NZ LYS A 19 12.894 11.092 -4.059 1.00 0.00 N ATOM 0 H LYS A 19 11.714 14.575 -8.172 1.00 0.00 H new ATOM 0 HA LYS A 19 9.379 13.859 -6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.127 13.801 -6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.665 15.154 -5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.552 13.334 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.878 13.569 -4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.227 11.232 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.270 11.824 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.109 10.284 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.776 11.896 -6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.359 10.162 -4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.609 11.840 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.207 11.161 -3.281 1.00 0.00 H new ATOM 315 N ASP A 20 8.273 16.010 -6.184 1.00 0.00 N ATOM 316 CA ASP A 20 7.593 17.258 -5.850 1.00 0.00 C ATOM 317 C ASP A 20 6.112 17.010 -5.521 1.00 0.00 C ATOM 318 O ASP A 20 5.258 17.163 -6.396 1.00 0.00 O ATOM 319 CB ASP A 20 7.713 18.255 -7.008 1.00 0.00 C ATOM 320 CG ASP A 20 7.437 19.682 -6.572 1.00 0.00 C ATOM 321 OD1 ASP A 20 8.001 20.107 -5.543 1.00 0.00 O ATOM 322 OD2 ASP A 20 6.655 20.373 -7.259 1.00 0.00 O ATOM 0 H ASP A 20 7.661 15.195 -6.229 1.00 0.00 H new ATOM 0 HA ASP A 20 8.074 17.677 -4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.715 18.195 -7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.014 17.977 -7.797 1.00 0.00 H new ATOM 327 N PRO A 21 5.762 16.615 -4.265 1.00 0.00 N ATOM 328 CA PRO A 21 6.693 16.402 -3.145 1.00 0.00 C ATOM 329 C PRO A 21 7.346 15.013 -3.168 1.00 0.00 C ATOM 330 O PRO A 21 8.422 14.820 -2.603 1.00 0.00 O ATOM 331 CB PRO A 21 5.796 16.564 -1.894 1.00 0.00 C ATOM 332 CG PRO A 21 4.407 16.816 -2.405 1.00 0.00 C ATOM 333 CD PRO A 21 4.388 16.354 -3.835 1.00 0.00 C ATOM 0 HA PRO A 21 7.530 17.099 -3.179 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.826 15.668 -1.274 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.139 17.392 -1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.671 16.273 -1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.154 17.874 -2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.129 15.298 -3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.663 16.908 -4.432 1.00 0.00 H new ATOM 341 N GLU A 22 6.689 14.050 -3.817 1.00 0.00 N ATOM 342 CA GLU A 22 7.215 12.685 -3.900 1.00 0.00 C ATOM 343 C GLU A 22 7.197 12.167 -5.337 1.00 0.00 C ATOM 344 O GLU A 22 6.823 12.888 -6.261 1.00 0.00 O ATOM 345 CB GLU A 22 6.394 11.755 -3.004 1.00 0.00 C ATOM 346 CG GLU A 22 6.454 12.130 -1.531 1.00 0.00 C ATOM 347 CD GLU A 22 5.202 12.842 -1.053 1.00 0.00 C ATOM 348 OE1 GLU A 22 4.711 13.732 -1.779 1.00 0.00 O ATOM 349 OE2 GLU A 22 4.715 12.512 0.049 1.00 0.00 O ATOM 0 H GLU A 22 5.796 14.188 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 22 8.250 12.702 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.355 11.769 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.754 10.733 -3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.602 11.228 -0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.319 12.771 -1.359 1.00 0.00 H new ATOM 356 N LEU A 23 7.606 10.912 -5.515 1.00 0.00 N ATOM 357 CA LEU A 23 7.639 10.294 -6.838 1.00 0.00 C ATOM 358 C LEU A 23 6.236 10.201 -7.433 1.00 0.00 C ATOM 359 O LEU A 23 5.965 10.771 -8.491 1.00 0.00 O ATOM 360 CB LEU A 23 8.273 8.902 -6.765 1.00 0.00 C ATOM 361 CG LEU A 23 9.795 8.904 -6.540 1.00 0.00 C ATOM 362 CD1 LEU A 23 10.127 8.632 -5.079 1.00 0.00 C ATOM 363 CD2 LEU A 23 10.488 7.883 -7.435 1.00 0.00 C ATOM 0 H LEU A 23 7.919 10.303 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 23 8.247 10.924 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.800 8.343 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.056 8.369 -7.691 1.00 0.00 H new ATOM 0 HG LEU A 23 10.164 9.895 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.209 8.638 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.679 9.405 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.731 7.658 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.562 7.909 -7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.106 6.886 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.292 8.123 -8.480 1.00 0.00 H new ATOM 375 N GLY A 24 5.342 9.492 -6.740 1.00 0.00 N ATOM 376 CA GLY A 24 3.971 9.351 -7.211 1.00 0.00 C ATOM 377 C GLY A 24 3.588 7.923 -7.563 1.00 0.00 C ATOM 378 O GLY A 24 2.740 7.707 -8.429 1.00 0.00 O ATOM 0 H GLY A 24 5.543 9.014 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.293 9.720 -6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.831 9.982 -8.089 1.00 0.00 H new ATOM 382 N PHE A 25 4.193 6.944 -6.893 1.00 0.00 N ATOM 383 CA PHE A 25 3.879 5.540 -7.156 1.00 0.00 C ATOM 384 C PHE A 25 4.495 4.622 -6.104 1.00 0.00 C ATOM 385 O PHE A 25 5.550 4.918 -5.543 1.00 0.00 O ATOM 386 CB PHE A 25 4.358 5.134 -8.555 1.00 0.00 C ATOM 387 CG PHE A 25 5.849 5.190 -8.733 1.00 0.00 C ATOM 388 CD1 PHE A 25 6.641 4.103 -8.400 1.00 0.00 C ATOM 389 CD2 PHE A 25 6.457 6.327 -9.242 1.00 0.00 C ATOM 390 CE1 PHE A 25 8.012 4.149 -8.569 1.00 0.00 C ATOM 391 CE2 PHE A 25 7.827 6.378 -9.414 1.00 0.00 C ATOM 392 CZ PHE A 25 8.605 5.288 -9.076 1.00 0.00 C ATOM 0 H PHE A 25 4.897 7.094 -6.170 1.00 0.00 H new ATOM 0 HA PHE A 25 2.796 5.431 -7.106 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.016 4.121 -8.765 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.890 5.787 -9.291 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.182 3.209 -8.004 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.853 7.182 -9.507 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.618 3.295 -8.305 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.289 7.269 -9.812 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.676 5.327 -9.208 1.00 0.00 H new ATOM 402 N SER A 26 3.821 3.504 -5.841 1.00 0.00 N ATOM 403 CA SER A 26 4.291 2.534 -4.855 1.00 0.00 C ATOM 404 C SER A 26 4.980 1.354 -5.538 1.00 0.00 C ATOM 405 O SER A 26 4.648 1.001 -6.669 1.00 0.00 O ATOM 406 CB SER A 26 3.120 2.032 -4.008 1.00 0.00 C ATOM 407 OG SER A 26 1.967 1.824 -4.804 1.00 0.00 O ATOM 0 H SER A 26 2.946 3.248 -6.298 1.00 0.00 H new ATOM 0 HA SER A 26 5.015 3.031 -4.208 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.397 1.101 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.898 2.755 -3.223 1.00 0.00 H new ATOM 0 HG SER A 26 1.251 2.422 -4.505 1.00 0.00 H new ATOM 413 N ILE A 27 5.940 0.750 -4.842 1.00 0.00 N ATOM 414 CA ILE A 27 6.678 -0.392 -5.377 1.00 0.00 C ATOM 415 C ILE A 27 6.509 -1.623 -4.490 1.00 0.00 C ATOM 416 O ILE A 27 6.353 -1.507 -3.275 1.00 0.00 O ATOM 417 CB ILE A 27 8.180 -0.074 -5.516 1.00 0.00 C ATOM 418 CG1 ILE A 27 8.764 0.356 -4.169 1.00 0.00 C ATOM 419 CG2 ILE A 27 8.399 1.010 -6.561 1.00 0.00 C ATOM 420 CD1 ILE A 27 10.275 0.407 -4.161 1.00 0.00 C ATOM 0 H ILE A 27 6.226 1.033 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 27 6.265 -0.601 -6.364 1.00 0.00 H new ATOM 0 HB ILE A 27 8.695 -0.978 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.373 1.340 -3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.427 -0.336 -3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.465 1.223 -6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.018 0.669 -7.524 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.871 1.916 -6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.623 0.719 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.674 -0.581 -4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.619 1.120 -4.910 1.00 0.00 H new ATOM 432 N SER A 28 6.543 -2.801 -5.106 1.00 0.00 N ATOM 433 CA SER A 28 6.393 -4.055 -4.374 1.00 0.00 C ATOM 434 C SER A 28 7.296 -5.138 -4.960 1.00 0.00 C ATOM 435 O SER A 28 7.735 -5.038 -6.105 1.00 0.00 O ATOM 436 CB SER A 28 4.936 -4.519 -4.412 1.00 0.00 C ATOM 437 OG SER A 28 4.495 -4.706 -5.745 1.00 0.00 O ATOM 0 H SER A 28 6.673 -2.914 -6.111 1.00 0.00 H new ATOM 0 HA SER A 28 6.687 -3.880 -3.339 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.834 -5.452 -3.858 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.304 -3.783 -3.916 1.00 0.00 H new ATOM 0 HG SER A 28 3.561 -5.004 -5.742 1.00 0.00 H new ATOM 443 N GLY A 29 7.564 -6.175 -4.168 1.00 0.00 N ATOM 444 CA GLY A 29 8.407 -7.268 -4.628 1.00 0.00 C ATOM 445 C GLY A 29 9.773 -7.280 -3.967 1.00 0.00 C ATOM 446 O GLY A 29 9.930 -6.811 -2.840 1.00 0.00 O ATOM 0 H GLY A 29 7.212 -6.278 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.905 -8.215 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.532 -7.193 -5.708 1.00 0.00 H new ATOM 450 N GLY A 30 10.761 -7.825 -4.672 1.00 0.00 N ATOM 451 CA GLY A 30 12.112 -7.897 -4.140 1.00 0.00 C ATOM 452 C GLY A 30 12.470 -9.293 -3.668 1.00 0.00 C ATOM 453 O GLY A 30 11.586 -10.095 -3.367 1.00 0.00 O ATOM 0 H GLY A 30 10.650 -8.220 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.820 -7.582 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.211 -7.198 -3.309 1.00 0.00 H new ATOM 457 N VAL A 31 13.767 -9.591 -3.612 1.00 0.00 N ATOM 458 CA VAL A 31 14.228 -10.906 -3.181 1.00 0.00 C ATOM 459 C VAL A 31 14.169 -11.031 -1.663 1.00 0.00 C ATOM 460 O VAL A 31 15.045 -10.537 -0.953 1.00 0.00 O ATOM 461 CB VAL A 31 15.673 -11.186 -3.650 1.00 0.00 C ATOM 462 CG1 VAL A 31 16.044 -12.641 -3.406 1.00 0.00 C ATOM 463 CG2 VAL A 31 15.850 -10.830 -5.119 1.00 0.00 C ATOM 0 H VAL A 31 14.513 -8.941 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 31 13.562 -11.639 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 31 16.343 -10.555 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.065 -12.818 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.970 -12.862 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 31 15.363 -13.288 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.876 -11.037 -5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.166 -11.426 -5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.635 -9.771 -5.265 1.00 0.00 H new ATOM 473 N GLY A 32 13.122 -11.691 -1.174 1.00 0.00 N ATOM 474 CA GLY A 32 12.953 -11.873 0.257 1.00 0.00 C ATOM 475 C GLY A 32 12.088 -10.799 0.915 1.00 0.00 C ATOM 476 O GLY A 32 11.991 -10.756 2.141 1.00 0.00 O ATOM 0 H GLY A 32 12.385 -12.104 -1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.505 -12.850 0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.934 -11.878 0.732 1.00 0.00 H new ATOM 480 N GLY A 33 11.463 -9.925 0.115 1.00 0.00 N ATOM 481 CA GLY A 33 10.626 -8.873 0.673 1.00 0.00 C ATOM 482 C GLY A 33 9.184 -9.305 0.869 1.00 0.00 C ATOM 483 O GLY A 33 8.896 -10.494 1.002 1.00 0.00 O ATOM 0 H GLY A 33 11.523 -9.930 -0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.039 -8.558 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.653 -8.006 0.013 1.00 0.00 H new ATOM 487 N ARG A 34 8.279 -8.331 0.892 1.00 0.00 N ATOM 488 CA ARG A 34 6.857 -8.604 1.080 1.00 0.00 C ATOM 489 C ARG A 34 6.300 -9.485 -0.039 1.00 0.00 C ATOM 490 O ARG A 34 5.337 -10.221 0.171 1.00 0.00 O ATOM 491 CB ARG A 34 6.077 -7.291 1.155 1.00 0.00 C ATOM 492 CG ARG A 34 6.432 -6.446 2.369 1.00 0.00 C ATOM 493 CD ARG A 34 5.530 -6.760 3.556 1.00 0.00 C ATOM 494 NE ARG A 34 6.205 -6.534 4.835 1.00 0.00 N ATOM 495 CZ ARG A 34 5.779 -7.014 6.008 1.00 0.00 C ATOM 496 NH1 ARG A 34 4.675 -7.753 6.085 1.00 0.00 N ATOM 497 NH2 ARG A 34 6.463 -6.754 7.112 1.00 0.00 N ATOM 0 H ARG A 34 8.506 -7.343 0.782 1.00 0.00 H new ATOM 0 HA ARG A 34 6.742 -9.147 2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.266 -6.712 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.010 -7.512 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.472 -6.623 2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.345 -5.390 2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.635 -6.140 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.203 -7.798 3.498 1.00 0.00 H new ATOM 0 HE ARG A 34 7.057 -5.973 4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.140 -7.961 5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.363 -8.112 6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.311 -6.189 7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.141 -7.118 8.009 1.00 0.00 H new ATOM 511 N GLY A 35 6.909 -9.412 -1.225 1.00 0.00 N ATOM 512 CA GLY A 35 6.454 -10.215 -2.348 1.00 0.00 C ATOM 513 C GLY A 35 5.662 -9.415 -3.370 1.00 0.00 C ATOM 514 O GLY A 35 5.060 -8.395 -3.035 1.00 0.00 O ATOM 0 H GLY A 35 7.708 -8.811 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.317 -10.666 -2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.835 -11.032 -1.976 1.00 0.00 H new ATOM 518 N ASN A 36 5.664 -9.886 -4.617 1.00 0.00 N ATOM 519 CA ASN A 36 4.937 -9.218 -5.704 1.00 0.00 C ATOM 520 C ASN A 36 3.760 -10.081 -6.177 1.00 0.00 C ATOM 521 O ASN A 36 3.940 -11.268 -6.446 1.00 0.00 O ATOM 522 CB ASN A 36 5.872 -8.921 -6.893 1.00 0.00 C ATOM 523 CG ASN A 36 6.884 -10.027 -7.176 1.00 0.00 C ATOM 524 OD1 ASN A 36 8.094 -9.813 -7.086 1.00 0.00 O ATOM 525 ND2 ASN A 36 6.397 -11.213 -7.526 1.00 0.00 N ATOM 0 H ASN A 36 6.161 -10.729 -4.903 1.00 0.00 H new ATOM 0 HA ASN A 36 4.554 -8.274 -5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.268 -8.758 -7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.409 -7.993 -6.697 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.032 -11.985 -7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.388 -11.352 -7.590 1.00 0.00 H new ATOM 532 N PRO A 37 2.531 -9.518 -6.285 1.00 0.00 N ATOM 533 CA PRO A 37 1.363 -10.274 -6.720 1.00 0.00 C ATOM 534 C PRO A 37 1.109 -10.173 -8.226 1.00 0.00 C ATOM 535 O PRO A 37 -0.039 -10.177 -8.667 1.00 0.00 O ATOM 536 CB PRO A 37 0.236 -9.606 -5.940 1.00 0.00 C ATOM 537 CG PRO A 37 0.657 -8.176 -5.788 1.00 0.00 C ATOM 538 CD PRO A 37 2.161 -8.120 -5.985 1.00 0.00 C ATOM 0 HA PRO A 37 1.472 -11.343 -6.538 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.711 -9.683 -6.473 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.094 -10.080 -4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.151 -7.547 -6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.385 -7.799 -4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.433 -7.451 -6.801 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.668 -7.755 -5.092 1.00 0.00 H new ATOM 546 N PHE A 38 2.183 -10.088 -9.009 1.00 0.00 N ATOM 547 CA PHE A 38 2.066 -9.991 -10.464 1.00 0.00 C ATOM 548 C PHE A 38 2.554 -11.270 -11.143 1.00 0.00 C ATOM 549 O PHE A 38 1.857 -11.845 -11.978 1.00 0.00 O ATOM 550 CB PHE A 38 2.864 -8.794 -10.983 1.00 0.00 C ATOM 551 CG PHE A 38 2.190 -7.473 -10.743 1.00 0.00 C ATOM 552 CD1 PHE A 38 1.286 -6.963 -11.661 1.00 0.00 C ATOM 553 CD2 PHE A 38 2.461 -6.742 -9.598 1.00 0.00 C ATOM 554 CE1 PHE A 38 0.665 -5.747 -11.441 1.00 0.00 C ATOM 555 CE2 PHE A 38 1.844 -5.526 -9.373 1.00 0.00 C ATOM 556 CZ PHE A 38 0.944 -5.028 -10.295 1.00 0.00 C ATOM 0 H PHE A 38 3.142 -10.084 -8.662 1.00 0.00 H new ATOM 0 HA PHE A 38 1.012 -9.853 -10.705 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.843 -8.785 -10.504 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.034 -8.917 -12.053 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.064 -7.521 -12.558 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.163 -7.127 -8.873 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.037 -5.360 -12.164 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.065 -4.965 -8.477 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.460 -4.079 -10.120 1.00 0.00 H new ATOM 566 N ARG A 39 3.759 -11.705 -10.780 1.00 0.00 N ATOM 567 CA ARG A 39 4.350 -12.914 -11.352 1.00 0.00 C ATOM 568 C ARG A 39 4.799 -13.876 -10.244 1.00 0.00 C ATOM 569 O ARG A 39 4.994 -13.451 -9.105 1.00 0.00 O ATOM 570 CB ARG A 39 5.525 -12.536 -12.253 1.00 0.00 C ATOM 571 CG ARG A 39 5.089 -11.844 -13.536 1.00 0.00 C ATOM 572 CD ARG A 39 6.127 -11.989 -14.636 1.00 0.00 C ATOM 573 NE ARG A 39 5.616 -11.547 -15.936 1.00 0.00 N ATOM 574 CZ ARG A 39 4.677 -12.193 -16.636 1.00 0.00 C ATOM 575 NH1 ARG A 39 4.132 -13.315 -16.176 1.00 0.00 N ATOM 576 NH2 ARG A 39 4.283 -11.710 -17.806 1.00 0.00 N ATOM 0 H ARG A 39 4.347 -11.237 -10.090 1.00 0.00 H new ATOM 0 HA ARG A 39 3.597 -13.426 -11.952 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.201 -11.880 -11.704 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.088 -13.435 -12.504 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.142 -12.265 -13.872 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.915 -10.786 -13.338 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.012 -11.408 -14.378 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.439 -13.031 -14.705 1.00 0.00 H new ATOM 0 HE ARG A 39 6.002 -10.690 -16.333 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.429 -13.695 -15.277 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.417 -13.796 -16.722 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.696 -10.850 -18.168 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.567 -12.198 -18.344 1.00 0.00 H new ATOM 590 N PRO A 40 4.950 -15.192 -10.539 1.00 0.00 N ATOM 591 CA PRO A 40 5.349 -16.173 -9.536 1.00 0.00 C ATOM 592 C PRO A 40 6.862 -16.379 -9.435 1.00 0.00 C ATOM 593 O PRO A 40 7.444 -16.213 -8.363 1.00 0.00 O ATOM 594 CB PRO A 40 4.660 -17.449 -10.021 1.00 0.00 C ATOM 595 CG PRO A 40 4.512 -17.298 -11.506 1.00 0.00 C ATOM 596 CD PRO A 40 4.724 -15.837 -11.847 1.00 0.00 C ATOM 0 HA PRO A 40 5.066 -15.856 -8.532 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.253 -18.330 -9.775 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.689 -17.574 -9.543 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.238 -17.921 -12.027 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.523 -17.625 -11.826 1.00 0.00 H new ATOM 0 HD2 PRO A 40 5.578 -15.702 -12.511 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.856 -15.416 -12.355 1.00 0.00 H new ATOM 604 N ASP A 41 7.495 -16.757 -10.542 1.00 0.00 N ATOM 605 CA ASP A 41 8.937 -17.001 -10.551 1.00 0.00 C ATOM 606 C ASP A 41 9.766 -15.708 -10.628 1.00 0.00 C ATOM 607 O ASP A 41 10.989 -15.755 -10.489 1.00 0.00 O ATOM 608 CB ASP A 41 9.305 -17.916 -11.720 1.00 0.00 C ATOM 609 CG ASP A 41 10.607 -18.657 -11.487 1.00 0.00 C ATOM 610 OD1 ASP A 41 10.606 -19.628 -10.702 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.629 -18.264 -12.088 1.00 0.00 O ATOM 0 H ASP A 41 7.036 -16.901 -11.441 1.00 0.00 H new ATOM 0 HA ASP A 41 9.179 -17.481 -9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.503 -18.637 -11.880 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.386 -17.323 -12.631 1.00 0.00 H new ATOM 616 N ASP A 42 9.118 -14.558 -10.842 1.00 0.00 N ATOM 617 CA ASP A 42 9.836 -13.286 -10.921 1.00 0.00 C ATOM 618 C ASP A 42 9.697 -12.513 -9.610 1.00 0.00 C ATOM 619 O ASP A 42 8.600 -12.094 -9.241 1.00 0.00 O ATOM 620 CB ASP A 42 9.306 -12.448 -12.086 1.00 0.00 C ATOM 621 CG ASP A 42 10.285 -11.372 -12.515 1.00 0.00 C ATOM 622 OD1 ASP A 42 10.595 -10.489 -11.689 1.00 0.00 O ATOM 623 OD2 ASP A 42 10.739 -11.413 -13.678 1.00 0.00 O ATOM 0 H ASP A 42 8.108 -14.484 -10.962 1.00 0.00 H new ATOM 0 HA ASP A 42 10.892 -13.495 -11.092 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.093 -13.101 -12.933 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.363 -11.984 -11.797 1.00 0.00 H new ATOM 628 N ASP A 43 10.814 -12.338 -8.907 1.00 0.00 N ATOM 629 CA ASP A 43 10.814 -11.629 -7.628 1.00 0.00 C ATOM 630 C ASP A 43 11.423 -10.230 -7.765 1.00 0.00 C ATOM 631 O ASP A 43 12.139 -9.764 -6.877 1.00 0.00 O ATOM 632 CB ASP A 43 11.584 -12.441 -6.583 1.00 0.00 C ATOM 633 CG ASP A 43 12.999 -12.755 -7.027 1.00 0.00 C ATOM 634 OD1 ASP A 43 13.715 -11.816 -7.436 1.00 0.00 O ATOM 635 OD2 ASP A 43 13.391 -13.940 -6.970 1.00 0.00 O ATOM 0 H ASP A 43 11.730 -12.677 -9.201 1.00 0.00 H new ATOM 0 HA ASP A 43 9.780 -11.512 -7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.614 -11.886 -5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.052 -13.372 -6.386 1.00 0.00 H new ATOM 640 N GLY A 44 11.126 -9.563 -8.879 1.00 0.00 N ATOM 641 CA GLY A 44 11.645 -8.224 -9.109 1.00 0.00 C ATOM 642 C GLY A 44 10.773 -7.147 -8.485 1.00 0.00 C ATOM 643 O GLY A 44 10.034 -7.415 -7.539 1.00 0.00 O ATOM 0 H GLY A 44 10.535 -9.926 -9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.653 -8.153 -8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.723 -8.047 -10.182 1.00 0.00 H new ATOM 647 N ILE A 45 10.858 -5.928 -9.018 1.00 0.00 N ATOM 648 CA ILE A 45 10.065 -4.807 -8.508 1.00 0.00 C ATOM 649 C ILE A 45 8.994 -4.394 -9.518 1.00 0.00 C ATOM 650 O ILE A 45 9.287 -4.208 -10.700 1.00 0.00 O ATOM 651 CB ILE A 45 10.945 -3.578 -8.184 1.00 0.00 C ATOM 652 CG1 ILE A 45 12.214 -3.989 -7.428 1.00 0.00 C ATOM 653 CG2 ILE A 45 10.150 -2.567 -7.372 1.00 0.00 C ATOM 654 CD1 ILE A 45 11.937 -4.662 -6.101 1.00 0.00 C ATOM 0 H ILE A 45 11.467 -5.691 -9.801 1.00 0.00 H new ATOM 0 HA ILE A 45 9.593 -5.152 -7.588 1.00 0.00 H new ATOM 0 HB ILE A 45 11.249 -3.119 -9.125 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.797 -4.665 -8.054 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.827 -3.104 -7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.778 -1.705 -7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.280 -2.244 -7.944 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.821 -3.027 -6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.880 -4.925 -5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.381 -3.981 -5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.350 -5.565 -6.267 1.00 0.00 H new ATOM 666 N PHE A 46 7.753 -4.256 -9.048 1.00 0.00 N ATOM 667 CA PHE A 46 6.638 -3.871 -9.915 1.00 0.00 C ATOM 668 C PHE A 46 5.899 -2.646 -9.366 1.00 0.00 C ATOM 669 O PHE A 46 5.861 -2.422 -8.156 1.00 0.00 O ATOM 670 CB PHE A 46 5.662 -5.041 -10.065 1.00 0.00 C ATOM 671 CG PHE A 46 6.283 -6.278 -10.657 1.00 0.00 C ATOM 672 CD1 PHE A 46 7.043 -7.133 -9.873 1.00 0.00 C ATOM 673 CD2 PHE A 46 6.103 -6.588 -11.997 1.00 0.00 C ATOM 674 CE1 PHE A 46 7.611 -8.272 -10.413 1.00 0.00 C ATOM 675 CE2 PHE A 46 6.670 -7.727 -12.542 1.00 0.00 C ATOM 676 CZ PHE A 46 7.423 -8.568 -11.750 1.00 0.00 C ATOM 0 H PHE A 46 7.495 -4.405 -8.073 1.00 0.00 H new ATOM 0 HA PHE A 46 7.048 -3.610 -10.891 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.249 -5.286 -9.086 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.828 -4.728 -10.693 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.193 -6.906 -8.828 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.514 -5.933 -12.622 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.201 -8.929 -9.791 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.523 -7.957 -13.587 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.866 -9.457 -12.174 1.00 0.00 H new ATOM 686 N VAL A 47 5.310 -1.858 -10.269 1.00 0.00 N ATOM 687 CA VAL A 47 4.567 -0.654 -9.887 1.00 0.00 C ATOM 688 C VAL A 47 3.092 -0.976 -9.614 1.00 0.00 C ATOM 689 O VAL A 47 2.241 -0.819 -10.489 1.00 0.00 O ATOM 690 CB VAL A 47 4.656 0.428 -10.987 1.00 0.00 C ATOM 691 CG1 VAL A 47 4.049 1.739 -10.509 1.00 0.00 C ATOM 692 CG2 VAL A 47 6.099 0.637 -11.426 1.00 0.00 C ATOM 0 H VAL A 47 5.333 -2.033 -11.274 1.00 0.00 H new ATOM 0 HA VAL A 47 5.023 -0.273 -8.973 1.00 0.00 H new ATOM 0 HB VAL A 47 4.083 0.080 -11.847 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.124 2.485 -11.301 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.001 1.583 -10.255 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.587 2.090 -9.629 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.136 1.403 -12.201 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.697 0.955 -10.572 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.498 -0.297 -11.820 1.00 0.00 H new ATOM 702 N THR A 48 2.813 -1.469 -8.406 1.00 0.00 N ATOM 703 CA THR A 48 1.453 -1.865 -7.997 1.00 0.00 C ATOM 704 C THR A 48 0.352 -0.866 -8.421 1.00 0.00 C ATOM 705 O THR A 48 -0.611 -1.264 -9.079 1.00 0.00 O ATOM 706 CB THR A 48 1.403 -2.105 -6.483 1.00 0.00 C ATOM 707 OG1 THR A 48 0.113 -2.532 -6.087 1.00 0.00 O ATOM 708 CG2 THR A 48 1.752 -0.888 -5.658 1.00 0.00 C ATOM 0 H THR A 48 3.517 -1.607 -7.681 1.00 0.00 H new ATOM 0 HA THR A 48 1.236 -2.791 -8.529 1.00 0.00 H new ATOM 0 HB THR A 48 2.155 -2.871 -6.296 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.101 -2.681 -5.119 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.694 -1.138 -4.599 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.764 -0.563 -5.899 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.050 -0.084 -5.880 1.00 0.00 H new ATOM 716 N ARG A 49 0.473 0.413 -8.045 1.00 0.00 N ATOM 717 CA ARG A 49 -0.547 1.406 -8.411 1.00 0.00 C ATOM 718 C ARG A 49 -0.026 2.840 -8.295 1.00 0.00 C ATOM 719 O ARG A 49 0.918 3.115 -7.555 1.00 0.00 O ATOM 720 CB ARG A 49 -1.798 1.238 -7.538 1.00 0.00 C ATOM 721 CG ARG A 49 -1.498 1.119 -6.053 1.00 0.00 C ATOM 722 CD ARG A 49 -2.762 1.245 -5.211 1.00 0.00 C ATOM 723 NE ARG A 49 -3.266 2.619 -5.173 1.00 0.00 N ATOM 724 CZ ARG A 49 -4.185 3.061 -4.308 1.00 0.00 C ATOM 725 NH1 ARG A 49 -4.712 2.250 -3.394 1.00 0.00 N ATOM 726 NH2 ARG A 49 -4.579 4.327 -4.357 1.00 0.00 N ATOM 0 H ARG A 49 1.251 0.781 -7.498 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.803 1.228 -9.455 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.459 2.090 -7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.339 0.349 -7.862 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.022 0.159 -5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.788 1.893 -5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.532 0.588 -5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.555 0.907 -4.195 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.892 3.283 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.416 1.275 -3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.412 2.603 -2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.181 4.958 -5.052 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.280 4.669 -3.699 1.00 0.00 H new ATOM 740 N VAL A 50 -0.668 3.749 -9.031 1.00 0.00 N ATOM 741 CA VAL A 50 -0.298 5.166 -9.023 1.00 0.00 C ATOM 742 C VAL A 50 -1.368 5.998 -8.308 1.00 0.00 C ATOM 743 O VAL A 50 -2.553 5.675 -8.375 1.00 0.00 O ATOM 744 CB VAL A 50 -0.123 5.709 -10.460 1.00 0.00 C ATOM 745 CG1 VAL A 50 0.477 7.106 -10.443 1.00 0.00 C ATOM 746 CG2 VAL A 50 0.736 4.771 -11.297 1.00 0.00 C ATOM 0 H VAL A 50 -1.452 3.527 -9.644 1.00 0.00 H new ATOM 0 HA VAL A 50 0.651 5.249 -8.493 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.111 5.766 -10.917 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.590 7.466 -11.466 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.181 7.778 -9.893 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.453 7.077 -9.959 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.843 5.176 -12.303 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.720 4.673 -10.839 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.260 3.792 -11.349 1.00 0.00 H new ATOM 756 N GLN A 51 -0.949 7.068 -7.624 1.00 0.00 N ATOM 757 CA GLN A 51 -1.889 7.930 -6.908 1.00 0.00 C ATOM 758 C GLN A 51 -2.156 9.233 -7.684 1.00 0.00 C ATOM 759 O GLN A 51 -3.246 9.398 -8.233 1.00 0.00 O ATOM 760 CB GLN A 51 -1.385 8.214 -5.489 1.00 0.00 C ATOM 761 CG GLN A 51 -2.003 7.306 -4.431 1.00 0.00 C ATOM 762 CD GLN A 51 -3.015 8.022 -3.554 1.00 0.00 C ATOM 763 OE1 GLN A 51 -2.696 9.018 -2.903 1.00 0.00 O ATOM 764 NE2 GLN A 51 -4.241 7.514 -3.529 1.00 0.00 N ATOM 0 H GLN A 51 0.027 7.354 -7.552 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.840 7.403 -6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.301 8.099 -5.467 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.601 9.252 -5.236 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.488 6.463 -4.922 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.211 6.897 -3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.462 6.687 -4.084 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.962 7.950 -2.955 1.00 0.00 H new ATOM 773 N PRO A 52 -1.188 10.184 -7.770 1.00 0.00 N ATOM 774 CA PRO A 52 -1.401 11.430 -8.513 1.00 0.00 C ATOM 775 C PRO A 52 -1.138 11.260 -10.007 1.00 0.00 C ATOM 776 O PRO A 52 -0.038 10.881 -10.410 1.00 0.00 O ATOM 777 CB PRO A 52 -0.367 12.363 -7.895 1.00 0.00 C ATOM 778 CG PRO A 52 0.781 11.466 -7.595 1.00 0.00 C ATOM 779 CD PRO A 52 0.175 10.141 -7.182 1.00 0.00 C ATOM 0 HA PRO A 52 -2.428 11.790 -8.445 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.084 13.159 -8.583 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.748 12.842 -6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.422 11.347 -8.468 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.401 11.878 -6.798 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.751 9.299 -7.566 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.141 10.036 -6.098 1.00 0.00 H new ATOM 787 N GLU A 53 -2.150 11.540 -10.827 1.00 0.00 N ATOM 788 CA GLU A 53 -2.001 11.410 -12.279 1.00 0.00 C ATOM 789 C GLU A 53 -1.252 12.610 -12.862 1.00 0.00 C ATOM 790 O GLU A 53 -1.799 13.380 -13.653 1.00 0.00 O ATOM 791 CB GLU A 53 -3.362 11.223 -12.985 1.00 0.00 C ATOM 792 CG GLU A 53 -4.511 12.045 -12.414 1.00 0.00 C ATOM 793 CD GLU A 53 -4.193 13.523 -12.316 1.00 0.00 C ATOM 794 OE1 GLU A 53 -4.187 14.200 -13.366 1.00 0.00 O ATOM 795 OE2 GLU A 53 -3.956 14.005 -11.189 1.00 0.00 O ATOM 0 H GLU A 53 -3.070 11.854 -10.519 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.412 10.511 -12.461 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.244 11.477 -14.038 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.634 10.168 -12.940 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.393 11.910 -13.040 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.763 11.667 -11.423 1.00 0.00 H new ATOM 802 N GLY A 54 0.013 12.749 -12.466 1.00 0.00 N ATOM 803 CA GLY A 54 0.834 13.843 -12.954 1.00 0.00 C ATOM 804 C GLY A 54 2.264 13.413 -13.277 1.00 0.00 C ATOM 805 O GLY A 54 2.628 13.347 -14.452 1.00 0.00 O ATOM 0 H GLY A 54 0.483 12.121 -11.814 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.375 14.264 -13.849 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.858 14.635 -12.205 1.00 0.00 H new ATOM 809 N PRO A 55 3.117 13.123 -12.262 1.00 0.00 N ATOM 810 CA PRO A 55 4.511 12.719 -12.503 1.00 0.00 C ATOM 811 C PRO A 55 4.643 11.393 -13.260 1.00 0.00 C ATOM 812 O PRO A 55 5.239 11.345 -14.338 1.00 0.00 O ATOM 813 CB PRO A 55 5.111 12.599 -11.094 1.00 0.00 C ATOM 814 CG PRO A 55 3.947 12.438 -10.180 1.00 0.00 C ATOM 815 CD PRO A 55 2.809 13.186 -10.815 1.00 0.00 C ATOM 0 HA PRO A 55 5.021 13.443 -13.139 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.785 11.745 -11.026 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.692 13.485 -10.838 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.697 11.385 -10.050 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.171 12.837 -9.191 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.849 12.723 -10.589 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.758 14.215 -10.460 1.00 0.00 H new ATOM 823 N ALA A 56 4.103 10.318 -12.690 1.00 0.00 N ATOM 824 CA ALA A 56 4.181 8.996 -13.308 1.00 0.00 C ATOM 825 C ALA A 56 2.822 8.551 -13.848 1.00 0.00 C ATOM 826 O ALA A 56 2.401 7.410 -13.648 1.00 0.00 O ATOM 827 CB ALA A 56 4.720 7.989 -12.301 1.00 0.00 C ATOM 0 H ALA A 56 3.606 10.337 -11.800 1.00 0.00 H new ATOM 0 HA ALA A 56 4.864 9.051 -14.156 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.777 7.005 -12.766 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.715 8.295 -11.977 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.055 7.945 -11.438 1.00 0.00 H new ATOM 833 N SER A 57 2.142 9.459 -14.534 1.00 0.00 N ATOM 834 CA SER A 57 0.832 9.163 -15.102 1.00 0.00 C ATOM 835 C SER A 57 0.965 8.490 -16.462 1.00 0.00 C ATOM 836 O SER A 57 0.511 7.362 -16.656 1.00 0.00 O ATOM 837 CB SER A 57 0.017 10.446 -15.239 1.00 0.00 C ATOM 838 OG SER A 57 0.645 11.356 -16.126 1.00 0.00 O ATOM 0 H SER A 57 2.475 10.407 -14.711 1.00 0.00 H new ATOM 0 HA SER A 57 0.318 8.478 -14.427 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.982 10.209 -15.604 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.103 10.911 -14.260 1.00 0.00 H new ATOM 0 HG SER A 57 1.261 11.930 -15.624 1.00 0.00 H new ATOM 844 N LYS A 58 1.582 9.195 -17.402 1.00 0.00 N ATOM 845 CA LYS A 58 1.766 8.672 -18.752 1.00 0.00 C ATOM 846 C LYS A 58 3.086 7.902 -18.918 1.00 0.00 C ATOM 847 O LYS A 58 3.375 7.420 -20.012 1.00 0.00 O ATOM 848 CB LYS A 58 1.713 9.817 -19.765 1.00 0.00 C ATOM 849 CG LYS A 58 0.343 10.466 -19.880 1.00 0.00 C ATOM 850 CD LYS A 58 -0.660 9.545 -20.559 1.00 0.00 C ATOM 851 CE LYS A 58 -0.382 9.412 -22.049 1.00 0.00 C ATOM 852 NZ LYS A 58 -0.681 8.041 -22.548 1.00 0.00 N ATOM 0 H LYS A 58 1.963 10.130 -17.256 1.00 0.00 H new ATOM 0 HA LYS A 58 0.954 7.967 -18.932 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.442 10.576 -19.481 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.010 9.439 -20.743 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.019 10.730 -18.886 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.426 11.394 -20.446 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.624 8.560 -20.093 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.668 9.932 -20.410 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.983 10.137 -22.597 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.663 9.651 -22.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.479 7.991 -23.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.089 7.351 -22.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.684 7.823 -22.383 1.00 0.00 H new ATOM 866 N LEU A 59 3.891 7.785 -17.852 1.00 0.00 N ATOM 867 CA LEU A 59 5.163 7.070 -17.949 1.00 0.00 C ATOM 868 C LEU A 59 5.033 5.615 -17.498 1.00 0.00 C ATOM 869 O LEU A 59 5.207 4.703 -18.302 1.00 0.00 O ATOM 870 CB LEU A 59 6.244 7.773 -17.130 1.00 0.00 C ATOM 871 CG LEU A 59 6.592 9.183 -17.608 1.00 0.00 C ATOM 872 CD1 LEU A 59 7.400 9.922 -16.554 1.00 0.00 C ATOM 873 CD2 LEU A 59 7.357 9.123 -18.922 1.00 0.00 C ATOM 0 H LEU A 59 3.686 8.170 -16.930 1.00 0.00 H new ATOM 0 HA LEU A 59 5.452 7.073 -19.000 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.917 7.826 -16.092 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.148 7.164 -17.148 1.00 0.00 H new ATOM 0 HG LEU A 59 5.664 9.730 -17.772 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.638 10.923 -16.913 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.819 9.995 -15.635 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.324 9.379 -16.357 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.598 10.134 -19.249 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.279 8.558 -18.781 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.744 8.633 -19.678 1.00 0.00 H new ATOM 885 N LEU A 60 4.741 5.400 -16.213 1.00 0.00 N ATOM 886 CA LEU A 60 4.606 4.049 -15.678 1.00 0.00 C ATOM 887 C LEU A 60 3.152 3.591 -15.654 1.00 0.00 C ATOM 888 O LEU A 60 2.256 4.361 -15.312 1.00 0.00 O ATOM 889 CB LEU A 60 5.182 3.988 -14.263 1.00 0.00 C ATOM 890 CG LEU A 60 6.673 4.333 -14.157 1.00 0.00 C ATOM 891 CD1 LEU A 60 6.957 5.164 -12.913 1.00 0.00 C ATOM 892 CD2 LEU A 60 7.519 3.068 -14.152 1.00 0.00 C ATOM 0 H LEU A 60 4.595 6.142 -15.529 1.00 0.00 H new ATOM 0 HA LEU A 60 5.160 3.379 -16.335 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.620 4.672 -13.628 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.027 2.985 -13.866 1.00 0.00 H new ATOM 0 HG LEU A 60 6.940 4.927 -15.031 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.021 5.394 -12.864 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.387 6.092 -12.958 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.666 4.602 -12.026 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.573 3.335 -14.076 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.240 2.447 -13.301 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.351 2.514 -15.076 1.00 0.00 H new ATOM 904 N GLN A 61 2.936 2.326 -16.000 1.00 0.00 N ATOM 905 CA GLN A 61 1.595 1.741 -16.001 1.00 0.00 C ATOM 906 C GLN A 61 1.546 0.529 -15.061 1.00 0.00 C ATOM 907 O GLN A 61 2.568 -0.122 -14.849 1.00 0.00 O ATOM 908 CB GLN A 61 1.191 1.330 -17.420 1.00 0.00 C ATOM 909 CG GLN A 61 2.081 0.255 -18.017 1.00 0.00 C ATOM 910 CD GLN A 61 1.555 -1.142 -17.759 1.00 0.00 C ATOM 911 OE1 GLN A 61 0.358 -1.400 -17.888 1.00 0.00 O ATOM 912 NE2 GLN A 61 2.449 -2.052 -17.391 1.00 0.00 N ATOM 0 H GLN A 61 3.674 1.682 -16.285 1.00 0.00 H new ATOM 0 HA GLN A 61 0.888 2.490 -15.644 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.162 0.972 -17.407 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.214 2.209 -18.065 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.167 0.415 -19.092 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.084 0.345 -17.600 1.00 0.00 H new ATOM 0 HE21 GLN A 61 3.431 -1.793 -17.297 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.154 -3.010 -17.203 1.00 0.00 H new ATOM 921 N PRO A 62 0.371 0.205 -14.468 1.00 0.00 N ATOM 922 CA PRO A 62 0.256 -0.936 -13.546 1.00 0.00 C ATOM 923 C PRO A 62 0.750 -2.249 -14.156 1.00 0.00 C ATOM 924 O PRO A 62 0.155 -2.764 -15.103 1.00 0.00 O ATOM 925 CB PRO A 62 -1.247 -1.016 -13.256 1.00 0.00 C ATOM 926 CG PRO A 62 -1.757 0.360 -13.504 1.00 0.00 C ATOM 927 CD PRO A 62 -0.923 0.909 -14.629 1.00 0.00 C ATOM 0 HA PRO A 62 0.871 -0.793 -12.658 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.737 -1.742 -13.905 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -1.435 -1.328 -12.229 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.813 0.343 -13.772 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.665 0.978 -12.611 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.374 0.706 -15.600 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.805 1.990 -14.552 1.00 0.00 H new ATOM 935 N GLY A 63 1.837 -2.791 -13.598 1.00 0.00 N ATOM 936 CA GLY A 63 2.389 -4.048 -14.090 1.00 0.00 C ATOM 937 C GLY A 63 3.815 -3.941 -14.635 1.00 0.00 C ATOM 938 O GLY A 63 4.395 -4.949 -15.037 1.00 0.00 O ATOM 0 H GLY A 63 2.344 -2.381 -12.814 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.376 -4.778 -13.281 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.740 -4.433 -14.877 1.00 0.00 H new ATOM 942 N ASP A 64 4.383 -2.732 -14.663 1.00 0.00 N ATOM 943 CA ASP A 64 5.740 -2.535 -15.177 1.00 0.00 C ATOM 944 C ASP A 64 6.792 -3.185 -14.274 1.00 0.00 C ATOM 945 O ASP A 64 6.462 -3.823 -13.275 1.00 0.00 O ATOM 946 CB ASP A 64 6.028 -1.040 -15.321 1.00 0.00 C ATOM 947 CG ASP A 64 5.549 -0.490 -16.650 1.00 0.00 C ATOM 948 OD1 ASP A 64 5.591 -1.235 -17.651 1.00 0.00 O ATOM 949 OD2 ASP A 64 5.129 0.686 -16.688 1.00 0.00 O ATOM 0 H ASP A 64 3.927 -1.880 -14.338 1.00 0.00 H new ATOM 0 HA ASP A 64 5.799 -3.017 -16.153 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.542 -0.498 -14.509 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.100 -0.867 -15.223 1.00 0.00 H new ATOM 954 N LYS A 65 8.064 -3.012 -14.643 1.00 0.00 N ATOM 955 CA LYS A 65 9.176 -3.570 -13.877 1.00 0.00 C ATOM 956 C LYS A 65 10.383 -2.634 -13.917 1.00 0.00 C ATOM 957 O LYS A 65 10.838 -2.244 -14.993 1.00 0.00 O ATOM 958 CB LYS A 65 9.566 -4.947 -14.423 1.00 0.00 C ATOM 959 CG LYS A 65 10.592 -5.672 -13.564 1.00 0.00 C ATOM 960 CD LYS A 65 11.080 -6.950 -14.231 1.00 0.00 C ATOM 961 CE LYS A 65 12.371 -7.452 -13.600 1.00 0.00 C ATOM 962 NZ LYS A 65 12.468 -8.938 -13.638 1.00 0.00 N ATOM 0 H LYS A 65 8.347 -2.488 -15.471 1.00 0.00 H new ATOM 0 HA LYS A 65 8.852 -3.679 -12.842 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.671 -5.564 -14.504 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.965 -4.830 -15.431 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.440 -5.013 -13.375 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.152 -5.911 -12.596 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.312 -7.719 -14.151 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.240 -6.768 -15.294 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.223 -7.019 -14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.426 -7.111 -12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.459 -9.225 -13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.887 -9.343 -12.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.126 -9.285 -14.557 1.00 0.00 H new ATOM 976 N ILE A 66 10.901 -2.279 -12.743 1.00 0.00 N ATOM 977 CA ILE A 66 12.059 -1.391 -12.653 1.00 0.00 C ATOM 978 C ILE A 66 13.355 -2.208 -12.672 1.00 0.00 C ATOM 979 O ILE A 66 13.592 -3.036 -11.792 1.00 0.00 O ATOM 980 CB ILE A 66 11.987 -0.509 -11.374 1.00 0.00 C ATOM 981 CG1 ILE A 66 10.699 0.317 -11.379 1.00 0.00 C ATOM 982 CG2 ILE A 66 13.193 0.420 -11.256 1.00 0.00 C ATOM 983 CD1 ILE A 66 9.465 -0.479 -11.026 1.00 0.00 C ATOM 0 H ILE A 66 10.538 -2.592 -11.842 1.00 0.00 H new ATOM 0 HA ILE A 66 12.050 -0.728 -13.518 1.00 0.00 H new ATOM 0 HB ILE A 66 11.993 -1.178 -10.513 1.00 0.00 H new ATOM 0 HG12 ILE A 66 10.803 1.141 -10.673 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.565 0.759 -12.366 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.104 1.019 -10.349 1.00 0.00 H new ATOM 0 HG22 ILE A 66 14.106 -0.173 -11.211 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.231 1.079 -12.123 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.592 0.173 -11.050 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.335 -1.287 -11.746 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.577 -0.899 -10.026 1.00 0.00 H new ATOM 995 N ILE A 67 14.176 -1.979 -13.696 1.00 0.00 N ATOM 996 CA ILE A 67 15.437 -2.703 -13.850 1.00 0.00 C ATOM 997 C ILE A 67 16.644 -1.820 -13.525 1.00 0.00 C ATOM 998 O ILE A 67 17.697 -2.324 -13.134 1.00 0.00 O ATOM 999 CB ILE A 67 15.588 -3.262 -15.286 1.00 0.00 C ATOM 1000 CG1 ILE A 67 14.320 -4.011 -15.705 1.00 0.00 C ATOM 1001 CG2 ILE A 67 16.799 -4.180 -15.384 1.00 0.00 C ATOM 1002 CD1 ILE A 67 14.332 -4.455 -17.154 1.00 0.00 C ATOM 0 H ILE A 67 13.990 -1.297 -14.432 1.00 0.00 H new ATOM 0 HA ILE A 67 15.409 -3.530 -13.141 1.00 0.00 H new ATOM 0 HB ILE A 67 15.738 -2.422 -15.964 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.196 -4.885 -15.066 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.456 -3.369 -15.537 1.00 0.00 H new ATOM 0 HG21 ILE A 67 16.885 -4.561 -16.402 1.00 0.00 H new ATOM 0 HG22 ILE A 67 17.700 -3.623 -15.128 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.680 -5.015 -14.693 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.404 -4.979 -17.382 1.00 0.00 H new ATOM 0 HD12 ILE A 67 14.425 -3.583 -17.801 1.00 0.00 H new ATOM 0 HD13 ILE A 67 15.176 -5.123 -17.323 1.00 0.00 H new ATOM 1014 N GLN A 68 16.498 -0.505 -13.692 1.00 0.00 N ATOM 1015 CA GLN A 68 17.597 0.420 -13.415 1.00 0.00 C ATOM 1016 C GLN A 68 17.087 1.818 -13.066 1.00 0.00 C ATOM 1017 O GLN A 68 16.037 2.247 -13.546 1.00 0.00 O ATOM 1018 CB GLN A 68 18.536 0.497 -14.620 1.00 0.00 C ATOM 1019 CG GLN A 68 19.893 1.095 -14.293 1.00 0.00 C ATOM 1020 CD GLN A 68 20.855 1.037 -15.463 1.00 0.00 C ATOM 1021 OE1 GLN A 68 21.754 0.197 -15.502 1.00 0.00 O ATOM 1022 NE2 GLN A 68 20.670 1.933 -16.426 1.00 0.00 N ATOM 0 H GLN A 68 15.639 -0.060 -14.014 1.00 0.00 H new ATOM 0 HA GLN A 68 18.140 0.036 -12.551 1.00 0.00 H new ATOM 0 HB2 GLN A 68 18.677 -0.505 -15.025 1.00 0.00 H new ATOM 0 HB3 GLN A 68 18.064 1.093 -15.401 1.00 0.00 H new ATOM 0 HG2 GLN A 68 19.764 2.133 -13.985 1.00 0.00 H new ATOM 0 HG3 GLN A 68 20.325 0.563 -13.446 1.00 0.00 H new ATOM 0 HE21 GLN A 68 19.912 2.611 -16.353 1.00 0.00 H new ATOM 0 HE22 GLN A 68 21.286 1.943 -17.239 1.00 0.00 H new ATOM 1031 N ALA A 69 17.846 2.525 -12.226 1.00 0.00 N ATOM 1032 CA ALA A 69 17.481 3.876 -11.807 1.00 0.00 C ATOM 1033 C ALA A 69 18.720 4.728 -11.520 1.00 0.00 C ATOM 1034 O ALA A 69 19.531 4.385 -10.659 1.00 0.00 O ATOM 1035 CB ALA A 69 16.591 3.817 -10.574 1.00 0.00 C ATOM 0 H ALA A 69 18.718 2.182 -11.823 1.00 0.00 H new ATOM 0 HA ALA A 69 16.935 4.345 -12.626 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.324 4.829 -10.269 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.685 3.257 -10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.126 3.323 -9.763 1.00 0.00 H new ATOM 1041 N ASN A 70 18.852 5.848 -12.240 1.00 0.00 N ATOM 1042 CA ASN A 70 19.982 6.778 -12.065 1.00 0.00 C ATOM 1043 C ASN A 70 21.341 6.061 -12.050 1.00 0.00 C ATOM 1044 O ASN A 70 22.257 6.457 -11.326 1.00 0.00 O ATOM 1045 CB ASN A 70 19.801 7.575 -10.771 1.00 0.00 C ATOM 1046 CG ASN A 70 18.950 8.814 -10.973 1.00 0.00 C ATOM 1047 OD1 ASN A 70 18.901 9.375 -12.069 1.00 0.00 O ATOM 1048 ND2 ASN A 70 18.276 9.249 -9.916 1.00 0.00 N ATOM 0 H ASN A 70 18.186 6.137 -12.956 1.00 0.00 H new ATOM 0 HA ASN A 70 19.983 7.450 -12.923 1.00 0.00 H new ATOM 0 HB2 ASN A 70 19.339 6.939 -10.016 1.00 0.00 H new ATOM 0 HB3 ASN A 70 20.778 7.867 -10.387 1.00 0.00 H new ATOM 0 HD21 ASN A 70 17.688 10.079 -9.992 1.00 0.00 H new ATOM 0 HD22 ASN A 70 18.346 8.753 -9.027 1.00 0.00 H new ATOM 1055 N GLY A 71 21.460 5.010 -12.854 1.00 0.00 N ATOM 1056 CA GLY A 71 22.701 4.255 -12.920 1.00 0.00 C ATOM 1057 C GLY A 71 22.801 3.148 -11.871 1.00 0.00 C ATOM 1058 O GLY A 71 23.869 2.562 -11.696 1.00 0.00 O ATOM 0 H GLY A 71 20.718 4.666 -13.463 1.00 0.00 H new ATOM 0 HA2 GLY A 71 22.795 3.813 -13.912 1.00 0.00 H new ATOM 0 HA3 GLY A 71 23.540 4.940 -12.795 1.00 0.00 H new ATOM 1062 N TYR A 72 21.697 2.848 -11.176 1.00 0.00 N ATOM 1063 CA TYR A 72 21.691 1.800 -10.161 1.00 0.00 C ATOM 1064 C TYR A 72 20.824 0.630 -10.629 1.00 0.00 C ATOM 1065 O TYR A 72 19.639 0.800 -10.912 1.00 0.00 O ATOM 1066 CB TYR A 72 21.183 2.365 -8.823 1.00 0.00 C ATOM 1067 CG TYR A 72 22.178 2.233 -7.690 1.00 0.00 C ATOM 1068 CD1 TYR A 72 22.470 0.993 -7.137 1.00 0.00 C ATOM 1069 CD2 TYR A 72 22.825 3.350 -7.173 1.00 0.00 C ATOM 1070 CE1 TYR A 72 23.376 0.868 -6.101 1.00 0.00 C ATOM 1071 CE2 TYR A 72 23.734 3.233 -6.137 1.00 0.00 C ATOM 1072 CZ TYR A 72 24.005 1.989 -5.605 1.00 0.00 C ATOM 1073 OH TYR A 72 24.908 1.869 -4.574 1.00 0.00 O ATOM 0 H TYR A 72 20.800 3.318 -11.301 1.00 0.00 H new ATOM 0 HA TYR A 72 22.707 1.435 -10.011 1.00 0.00 H new ATOM 0 HB2 TYR A 72 20.933 3.418 -8.955 1.00 0.00 H new ATOM 0 HB3 TYR A 72 20.262 1.851 -8.548 1.00 0.00 H new ATOM 0 HD1 TYR A 72 21.981 0.111 -7.523 1.00 0.00 H new ATOM 0 HD2 TYR A 72 22.614 4.325 -7.587 1.00 0.00 H new ATOM 0 HE1 TYR A 72 23.590 -0.104 -5.682 1.00 0.00 H new ATOM 0 HE2 TYR A 72 24.229 4.110 -5.747 1.00 0.00 H new ATOM 0 HH TYR A 72 25.261 2.754 -4.344 1.00 0.00 H new ATOM 1083 N SER A 73 21.427 -0.550 -10.729 1.00 0.00 N ATOM 1084 CA SER A 73 20.710 -1.737 -11.184 1.00 0.00 C ATOM 1085 C SER A 73 19.720 -2.228 -10.131 1.00 0.00 C ATOM 1086 O SER A 73 20.079 -2.420 -8.969 1.00 0.00 O ATOM 1087 CB SER A 73 21.699 -2.853 -11.524 1.00 0.00 C ATOM 1088 OG SER A 73 22.682 -2.402 -12.439 1.00 0.00 O ATOM 0 H SER A 73 22.408 -0.710 -10.502 1.00 0.00 H new ATOM 0 HA SER A 73 20.149 -1.464 -12.078 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.181 -3.206 -10.612 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.163 -3.701 -11.950 1.00 0.00 H new ATOM 0 HG SER A 73 23.303 -3.133 -12.639 1.00 0.00 H new ATOM 1094 N PHE A 74 18.472 -2.435 -10.549 1.00 0.00 N ATOM 1095 CA PHE A 74 17.427 -2.913 -9.646 1.00 0.00 C ATOM 1096 C PHE A 74 17.071 -4.386 -9.901 1.00 0.00 C ATOM 1097 O PHE A 74 16.049 -4.867 -9.407 1.00 0.00 O ATOM 1098 CB PHE A 74 16.168 -2.053 -9.800 1.00 0.00 C ATOM 1099 CG PHE A 74 16.155 -0.835 -8.921 1.00 0.00 C ATOM 1100 CD1 PHE A 74 17.206 0.067 -8.951 1.00 0.00 C ATOM 1101 CD2 PHE A 74 15.090 -0.590 -8.069 1.00 0.00 C ATOM 1102 CE1 PHE A 74 17.195 1.190 -8.147 1.00 0.00 C ATOM 1103 CE2 PHE A 74 15.073 0.532 -7.262 1.00 0.00 C ATOM 1104 CZ PHE A 74 16.127 1.423 -7.301 1.00 0.00 C ATOM 0 H PHE A 74 18.160 -2.279 -11.508 1.00 0.00 H new ATOM 0 HA PHE A 74 17.815 -2.832 -8.631 1.00 0.00 H new ATOM 0 HB2 PHE A 74 16.078 -1.740 -10.840 1.00 0.00 H new ATOM 0 HB3 PHE A 74 15.293 -2.662 -9.574 1.00 0.00 H new ATOM 0 HD1 PHE A 74 18.043 -0.110 -9.610 1.00 0.00 H new ATOM 0 HD2 PHE A 74 14.263 -1.284 -8.035 1.00 0.00 H new ATOM 0 HE1 PHE A 74 18.020 1.886 -8.179 1.00 0.00 H new ATOM 0 HE2 PHE A 74 14.237 0.711 -6.602 1.00 0.00 H new ATOM 0 HZ PHE A 74 16.117 2.301 -6.672 1.00 0.00 H new ATOM 1114 N ILE A 75 17.902 -5.111 -10.662 1.00 0.00 N ATOM 1115 CA ILE A 75 17.635 -6.518 -10.947 1.00 0.00 C ATOM 1116 C ILE A 75 18.292 -7.417 -9.899 1.00 0.00 C ATOM 1117 O ILE A 75 19.497 -7.336 -9.663 1.00 0.00 O ATOM 1118 CB ILE A 75 18.116 -6.911 -12.368 1.00 0.00 C ATOM 1119 CG1 ILE A 75 17.705 -8.348 -12.699 1.00 0.00 C ATOM 1120 CG2 ILE A 75 19.623 -6.742 -12.509 1.00 0.00 C ATOM 1121 CD1 ILE A 75 16.240 -8.494 -13.047 1.00 0.00 C ATOM 0 H ILE A 75 18.755 -4.747 -11.085 1.00 0.00 H new ATOM 0 HA ILE A 75 16.555 -6.661 -10.905 1.00 0.00 H new ATOM 0 HB ILE A 75 17.635 -6.239 -13.079 1.00 0.00 H new ATOM 0 HG12 ILE A 75 18.306 -8.705 -13.535 1.00 0.00 H new ATOM 0 HG13 ILE A 75 17.933 -8.988 -11.846 1.00 0.00 H new ATOM 0 HG21 ILE A 75 19.928 -7.026 -13.516 1.00 0.00 H new ATOM 0 HG22 ILE A 75 19.891 -5.701 -12.328 1.00 0.00 H new ATOM 0 HG23 ILE A 75 20.130 -7.378 -11.784 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.021 -9.538 -13.270 1.00 0.00 H new ATOM 0 HD12 ILE A 75 15.631 -8.168 -12.204 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.010 -7.881 -13.919 1.00 0.00 H new ATOM 1133 N ASN A 76 17.482 -8.260 -9.261 1.00 0.00 N ATOM 1134 CA ASN A 76 17.969 -9.166 -8.223 1.00 0.00 C ATOM 1135 C ASN A 76 18.518 -8.384 -7.029 1.00 0.00 C ATOM 1136 O ASN A 76 19.728 -8.326 -6.808 1.00 0.00 O ATOM 1137 CB ASN A 76 19.041 -10.108 -8.782 1.00 0.00 C ATOM 1138 CG ASN A 76 18.494 -11.045 -9.843 1.00 0.00 C ATOM 1139 OD1 ASN A 76 17.354 -11.503 -9.754 1.00 0.00 O ATOM 1140 ND2 ASN A 76 19.306 -11.336 -10.853 1.00 0.00 N ATOM 0 H ASN A 76 16.482 -8.334 -9.446 1.00 0.00 H new ATOM 0 HA ASN A 76 17.126 -9.767 -7.881 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.853 -9.518 -9.207 1.00 0.00 H new ATOM 0 HB3 ASN A 76 19.465 -10.695 -7.967 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.993 -11.962 -11.595 1.00 0.00 H new ATOM 0 HD22 ASN A 76 20.243 -10.934 -10.886 1.00 0.00 H new ATOM 1147 N ILE A 77 17.612 -7.788 -6.258 1.00 0.00 N ATOM 1148 CA ILE A 77 17.993 -7.016 -5.081 1.00 0.00 C ATOM 1149 C ILE A 77 16.934 -7.133 -3.991 1.00 0.00 C ATOM 1150 O ILE A 77 15.821 -7.592 -4.244 1.00 0.00 O ATOM 1151 CB ILE A 77 18.209 -5.526 -5.418 1.00 0.00 C ATOM 1152 CG1 ILE A 77 16.963 -4.934 -6.078 1.00 0.00 C ATOM 1153 CG2 ILE A 77 19.419 -5.359 -6.322 1.00 0.00 C ATOM 1154 CD1 ILE A 77 16.917 -3.423 -6.027 1.00 0.00 C ATOM 0 H ILE A 77 16.607 -7.826 -6.429 1.00 0.00 H new ATOM 0 HA ILE A 77 18.935 -7.431 -4.723 1.00 0.00 H new ATOM 0 HB ILE A 77 18.391 -4.987 -4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 77 16.924 -5.256 -7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.076 -5.334 -5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 77 19.559 -4.303 -6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.306 -5.741 -5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.261 -5.913 -7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.007 -3.070 -6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 77 16.925 -3.094 -4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.786 -3.015 -6.543 1.00 0.00 H new ATOM 1166 N GLU A 78 17.286 -6.720 -2.779 1.00 0.00 N ATOM 1167 CA GLU A 78 16.362 -6.785 -1.653 1.00 0.00 C ATOM 1168 C GLU A 78 15.407 -5.590 -1.658 1.00 0.00 C ATOM 1169 O GLU A 78 15.722 -4.533 -2.206 1.00 0.00 O ATOM 1170 CB GLU A 78 17.139 -6.842 -0.337 1.00 0.00 C ATOM 1171 CG GLU A 78 17.936 -8.126 -0.165 1.00 0.00 C ATOM 1172 CD GLU A 78 19.173 -7.941 0.690 1.00 0.00 C ATOM 1173 OE1 GLU A 78 19.102 -7.183 1.681 1.00 0.00 O ATOM 1174 OE2 GLU A 78 20.213 -8.555 0.371 1.00 0.00 O ATOM 0 H GLU A 78 18.203 -6.337 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 78 15.766 -7.693 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.818 -5.991 -0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.441 -6.742 0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 78 17.298 -8.886 0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 78 18.231 -8.499 -1.146 1.00 0.00 H new ATOM 1181 N HIS A 79 14.235 -5.773 -1.048 1.00 0.00 N ATOM 1182 CA HIS A 79 13.218 -4.721 -0.982 1.00 0.00 C ATOM 1183 C HIS A 79 13.774 -3.426 -0.384 1.00 0.00 C ATOM 1184 O HIS A 79 13.705 -2.366 -1.010 1.00 0.00 O ATOM 1185 CB HIS A 79 12.021 -5.196 -0.157 1.00 0.00 C ATOM 1186 CG HIS A 79 10.810 -4.328 -0.311 1.00 0.00 C ATOM 1187 ND1 HIS A 79 9.780 -4.619 -1.184 1.00 0.00 N ATOM 1188 CD2 HIS A 79 10.466 -3.170 0.300 1.00 0.00 C ATOM 1189 CE1 HIS A 79 8.858 -3.676 -1.102 1.00 0.00 C ATOM 1190 NE2 HIS A 79 9.251 -2.787 -0.208 1.00 0.00 N ATOM 0 H HIS A 79 13.965 -6.644 -0.590 1.00 0.00 H new ATOM 0 HA HIS A 79 12.901 -4.510 -2.003 1.00 0.00 H new ATOM 0 HB2 HIS A 79 11.768 -6.215 -0.451 1.00 0.00 H new ATOM 0 HB3 HIS A 79 12.304 -5.228 0.895 1.00 0.00 H new ATOM 0 HD1 HIS A 79 9.738 -5.434 -1.796 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.041 -2.645 1.048 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.940 -3.639 -1.669 1.00 0.00 H new ATOM 1199 N GLY A 80 14.315 -3.513 0.834 1.00 0.00 N ATOM 1200 CA GLY A 80 14.870 -2.338 1.503 1.00 0.00 C ATOM 1201 C GLY A 80 15.890 -1.590 0.660 1.00 0.00 C ATOM 1202 O GLY A 80 15.989 -0.363 0.736 1.00 0.00 O ATOM 0 H GLY A 80 14.380 -4.378 1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.058 -1.660 1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.339 -2.648 2.437 1.00 0.00 H new ATOM 1206 N GLN A 81 16.638 -2.327 -0.151 1.00 0.00 N ATOM 1207 CA GLN A 81 17.639 -1.722 -1.019 1.00 0.00 C ATOM 1208 C GLN A 81 16.964 -0.848 -2.069 1.00 0.00 C ATOM 1209 O GLN A 81 17.455 0.228 -2.410 1.00 0.00 O ATOM 1210 CB GLN A 81 18.477 -2.805 -1.703 1.00 0.00 C ATOM 1211 CG GLN A 81 19.750 -2.272 -2.341 1.00 0.00 C ATOM 1212 CD GLN A 81 20.836 -1.984 -1.324 1.00 0.00 C ATOM 1213 OE1 GLN A 81 20.556 -1.566 -0.201 1.00 0.00 O ATOM 1214 NE2 GLN A 81 22.086 -2.206 -1.713 1.00 0.00 N ATOM 0 H GLN A 81 16.571 -3.342 -0.226 1.00 0.00 H new ATOM 0 HA GLN A 81 18.297 -1.102 -0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 81 18.739 -3.568 -0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 81 17.873 -3.292 -2.468 1.00 0.00 H new ATOM 0 HG2 GLN A 81 20.120 -2.997 -3.066 1.00 0.00 H new ATOM 0 HG3 GLN A 81 19.521 -1.359 -2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 81 22.273 -2.553 -2.654 1.00 0.00 H new ATOM 0 HE22 GLN A 81 22.859 -2.030 -1.071 1.00 0.00 H new ATOM 1223 N ALA A 82 15.828 -1.322 -2.577 1.00 0.00 N ATOM 1224 CA ALA A 82 15.075 -0.588 -3.587 1.00 0.00 C ATOM 1225 C ALA A 82 14.481 0.706 -3.021 1.00 0.00 C ATOM 1226 O ALA A 82 14.840 1.795 -3.464 1.00 0.00 O ATOM 1227 CB ALA A 82 13.977 -1.466 -4.167 1.00 0.00 C ATOM 0 H ALA A 82 15.410 -2.212 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 82 15.768 -0.312 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.423 -0.906 -4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.422 -2.349 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.299 -1.774 -3.371 1.00 0.00 H new ATOM 1233 N VAL A 83 13.573 0.580 -2.048 1.00 0.00 N ATOM 1234 CA VAL A 83 12.928 1.744 -1.428 1.00 0.00 C ATOM 1235 C VAL A 83 13.958 2.740 -0.865 1.00 0.00 C ATOM 1236 O VAL A 83 13.661 3.928 -0.710 1.00 0.00 O ATOM 1237 CB VAL A 83 11.971 1.319 -0.283 1.00 0.00 C ATOM 1238 CG1 VAL A 83 11.092 2.480 0.158 1.00 0.00 C ATOM 1239 CG2 VAL A 83 11.099 0.139 -0.691 1.00 0.00 C ATOM 0 H VAL A 83 13.267 -0.317 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 83 12.357 2.231 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 83 12.596 1.012 0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.432 2.152 0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.720 3.297 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.494 2.824 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 83 10.442 -0.131 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.498 0.413 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.732 -0.711 -0.943 1.00 0.00 H new ATOM 1249 N SER A 84 15.168 2.262 -0.575 1.00 0.00 N ATOM 1250 CA SER A 84 16.217 3.124 -0.031 1.00 0.00 C ATOM 1251 C SER A 84 16.842 3.985 -1.124 1.00 0.00 C ATOM 1252 O SER A 84 17.109 5.170 -0.917 1.00 0.00 O ATOM 1253 CB SER A 84 17.298 2.278 0.647 1.00 0.00 C ATOM 1254 OG SER A 84 16.862 1.807 1.910 1.00 0.00 O ATOM 0 H SER A 84 15.445 1.289 -0.707 1.00 0.00 H new ATOM 0 HA SER A 84 15.761 3.784 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.555 1.432 0.009 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.204 2.871 0.770 1.00 0.00 H new ATOM 0 HG SER A 84 16.608 0.863 1.837 1.00 0.00 H new ATOM 1260 N LEU A 85 17.089 3.382 -2.282 1.00 0.00 N ATOM 1261 CA LEU A 85 17.697 4.090 -3.401 1.00 0.00 C ATOM 1262 C LEU A 85 16.782 5.186 -3.938 1.00 0.00 C ATOM 1263 O LEU A 85 17.238 6.281 -4.263 1.00 0.00 O ATOM 1264 CB LEU A 85 18.037 3.109 -4.522 1.00 0.00 C ATOM 1265 CG LEU A 85 19.306 2.287 -4.295 1.00 0.00 C ATOM 1266 CD1 LEU A 85 19.562 1.363 -5.476 1.00 0.00 C ATOM 1267 CD2 LEU A 85 20.499 3.205 -4.058 1.00 0.00 C ATOM 0 H LEU A 85 16.877 2.402 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 85 18.610 4.560 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.198 2.426 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 85 18.144 3.666 -5.453 1.00 0.00 H new ATOM 0 HG LEU A 85 19.166 1.672 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.469 0.786 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 85 18.718 0.684 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 85 19.683 1.956 -6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 85 21.394 2.604 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.643 3.846 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 85 20.314 3.822 -3.179 1.00 0.00 H new ATOM 1279 N LEU A 86 15.496 4.879 -4.046 1.00 0.00 N ATOM 1280 CA LEU A 86 14.529 5.840 -4.561 1.00 0.00 C ATOM 1281 C LEU A 86 14.359 7.026 -3.619 1.00 0.00 C ATOM 1282 O LEU A 86 14.379 8.178 -4.049 1.00 0.00 O ATOM 1283 CB LEU A 86 13.179 5.161 -4.793 1.00 0.00 C ATOM 1284 CG LEU A 86 13.123 4.255 -6.023 1.00 0.00 C ATOM 1285 CD1 LEU A 86 11.767 3.578 -6.126 1.00 0.00 C ATOM 1286 CD2 LEU A 86 13.422 5.051 -7.286 1.00 0.00 C ATOM 0 H LEU A 86 15.099 3.976 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 86 14.912 6.217 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.928 4.570 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.413 5.930 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 86 13.884 3.482 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.746 2.937 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.593 2.975 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.988 4.335 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.378 4.390 -8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.685 5.846 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.418 5.488 -7.214 1.00 0.00 H new ATOM 1298 N LYS A 87 14.178 6.737 -2.339 1.00 0.00 N ATOM 1299 CA LYS A 87 13.986 7.783 -1.342 1.00 0.00 C ATOM 1300 C LYS A 87 15.183 8.730 -1.257 1.00 0.00 C ATOM 1301 O LYS A 87 15.010 9.947 -1.186 1.00 0.00 O ATOM 1302 CB LYS A 87 13.717 7.162 0.027 1.00 0.00 C ATOM 1303 CG LYS A 87 12.290 6.663 0.193 1.00 0.00 C ATOM 1304 CD LYS A 87 12.143 5.783 1.423 1.00 0.00 C ATOM 1305 CE LYS A 87 10.681 5.576 1.790 1.00 0.00 C ATOM 1306 NZ LYS A 87 10.527 5.018 3.162 1.00 0.00 N ATOM 0 H LYS A 87 14.160 5.788 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 87 13.124 8.372 -1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.405 6.331 0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.928 7.900 0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.613 7.514 0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.995 6.102 -0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.613 4.817 1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.669 6.238 2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.152 6.527 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.218 4.902 1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.517 4.892 3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.010 4.099 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.946 5.673 3.852 1.00 0.00 H new ATOM 1320 N THR A 88 16.395 8.180 -1.222 1.00 0.00 N ATOM 1321 CA THR A 88 17.606 8.994 -1.096 1.00 0.00 C ATOM 1322 C THR A 88 17.909 9.846 -2.340 1.00 0.00 C ATOM 1323 O THR A 88 18.565 10.882 -2.229 1.00 0.00 O ATOM 1324 CB THR A 88 18.807 8.084 -0.800 1.00 0.00 C ATOM 1325 OG1 THR A 88 19.973 8.852 -0.560 1.00 0.00 O ATOM 1326 CG2 THR A 88 19.121 7.119 -1.924 1.00 0.00 C ATOM 0 H THR A 88 16.566 7.176 -1.279 1.00 0.00 H new ATOM 0 HA THR A 88 17.428 9.689 -0.275 1.00 0.00 H new ATOM 0 HB THR A 88 18.521 7.511 0.082 1.00 0.00 H new ATOM 0 HG1 THR A 88 20.726 8.254 -0.372 1.00 0.00 H new ATOM 0 HG21 THR A 88 19.980 6.507 -1.649 1.00 0.00 H new ATOM 0 HG22 THR A 88 18.259 6.476 -2.103 1.00 0.00 H new ATOM 0 HG23 THR A 88 19.350 7.679 -2.831 1.00 0.00 H new ATOM 1334 N PHE A 89 17.475 9.398 -3.523 1.00 0.00 N ATOM 1335 CA PHE A 89 17.750 10.120 -4.783 1.00 0.00 C ATOM 1336 C PHE A 89 17.475 11.629 -4.700 1.00 0.00 C ATOM 1337 O PHE A 89 16.979 12.138 -3.695 1.00 0.00 O ATOM 1338 CB PHE A 89 16.934 9.534 -5.944 1.00 0.00 C ATOM 1339 CG PHE A 89 17.479 8.260 -6.548 1.00 0.00 C ATOM 1340 CD1 PHE A 89 18.848 8.022 -6.674 1.00 0.00 C ATOM 1341 CD2 PHE A 89 16.600 7.291 -7.003 1.00 0.00 C ATOM 1342 CE1 PHE A 89 19.312 6.847 -7.237 1.00 0.00 C ATOM 1343 CE2 PHE A 89 17.061 6.117 -7.566 1.00 0.00 C ATOM 1344 CZ PHE A 89 18.418 5.895 -7.682 1.00 0.00 C ATOM 0 H PHE A 89 16.933 8.542 -3.641 1.00 0.00 H new ATOM 0 HA PHE A 89 18.817 9.987 -4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 89 15.920 9.343 -5.592 1.00 0.00 H new ATOM 0 HB3 PHE A 89 16.862 10.286 -6.730 1.00 0.00 H new ATOM 0 HD1 PHE A 89 19.553 8.763 -6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 89 15.536 7.456 -6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 89 20.374 6.675 -7.328 1.00 0.00 H new ATOM 0 HE2 PHE A 89 16.360 5.373 -7.915 1.00 0.00 H new ATOM 0 HZ PHE A 89 18.780 4.977 -8.121 1.00 0.00 H new ATOM 1354 N GLN A 90 17.817 12.328 -5.784 1.00 0.00 N ATOM 1355 CA GLN A 90 17.638 13.774 -5.880 1.00 0.00 C ATOM 1356 C GLN A 90 16.208 14.120 -6.364 1.00 0.00 C ATOM 1357 O GLN A 90 15.257 13.438 -5.977 1.00 0.00 O ATOM 1358 CB GLN A 90 18.730 14.335 -6.803 1.00 0.00 C ATOM 1359 CG GLN A 90 20.138 13.951 -6.367 1.00 0.00 C ATOM 1360 CD GLN A 90 21.166 14.157 -7.462 1.00 0.00 C ATOM 1361 OE1 GLN A 90 21.115 13.511 -8.509 1.00 0.00 O ATOM 1362 NE2 GLN A 90 22.110 15.061 -7.225 1.00 0.00 N ATOM 0 H GLN A 90 18.225 11.906 -6.618 1.00 0.00 H new ATOM 0 HA GLN A 90 17.742 14.239 -4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 90 18.560 13.975 -7.818 1.00 0.00 H new ATOM 0 HB3 GLN A 90 18.649 15.422 -6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 90 20.418 14.543 -5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 90 20.146 12.906 -6.059 1.00 0.00 H new ATOM 0 HE21 GLN A 90 22.115 15.574 -6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 90 22.830 15.242 -7.925 1.00 0.00 H new ATOM 1371 N ASN A 91 16.033 15.174 -7.184 1.00 0.00 N ATOM 1372 CA ASN A 91 14.699 15.556 -7.658 1.00 0.00 C ATOM 1373 C ASN A 91 14.253 14.697 -8.841 1.00 0.00 C ATOM 1374 O ASN A 91 13.350 13.870 -8.705 1.00 0.00 O ATOM 1375 CB ASN A 91 14.684 17.034 -8.056 1.00 0.00 C ATOM 1376 CG ASN A 91 14.830 17.954 -6.859 1.00 0.00 C ATOM 1377 OD1 ASN A 91 13.915 18.081 -6.044 1.00 0.00 O ATOM 1378 ND2 ASN A 91 15.984 18.602 -6.748 1.00 0.00 N ATOM 0 H ASN A 91 16.790 15.766 -7.525 1.00 0.00 H new ATOM 0 HA ASN A 91 13.998 15.391 -6.839 1.00 0.00 H new ATOM 0 HB2 ASN A 91 15.493 17.227 -8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 91 13.751 17.259 -8.573 1.00 0.00 H new ATOM 0 HD21 ASN A 91 16.140 19.235 -5.964 1.00 0.00 H new ATOM 0 HD22 ASN A 91 16.714 18.466 -7.447 1.00 0.00 H new ATOM 1385 N THR A 92 14.881 14.899 -10.000 1.00 0.00 N ATOM 1386 CA THR A 92 14.533 14.135 -11.197 1.00 0.00 C ATOM 1387 C THR A 92 15.171 12.748 -11.149 1.00 0.00 C ATOM 1388 O THR A 92 16.370 12.615 -10.910 1.00 0.00 O ATOM 1389 CB THR A 92 14.965 14.883 -12.469 1.00 0.00 C ATOM 1390 OG1 THR A 92 15.247 16.246 -12.188 1.00 0.00 O ATOM 1391 CG2 THR A 92 13.916 14.858 -13.559 1.00 0.00 C ATOM 0 H THR A 92 15.628 15.580 -10.134 1.00 0.00 H new ATOM 0 HA THR A 92 13.450 14.018 -11.223 1.00 0.00 H new ATOM 0 HB THR A 92 15.855 14.359 -12.818 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.521 16.700 -13.012 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.282 15.403 -14.429 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.707 13.826 -13.839 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.002 15.328 -13.195 1.00 0.00 H new ATOM 1399 N VAL A 93 14.357 11.718 -11.371 1.00 0.00 N ATOM 1400 CA VAL A 93 14.835 10.337 -11.349 1.00 0.00 C ATOM 1401 C VAL A 93 14.565 9.644 -12.682 1.00 0.00 C ATOM 1402 O VAL A 93 13.416 9.526 -13.108 1.00 0.00 O ATOM 1403 CB VAL A 93 14.168 9.524 -10.218 1.00 0.00 C ATOM 1404 CG1 VAL A 93 14.849 8.175 -10.057 1.00 0.00 C ATOM 1405 CG2 VAL A 93 14.191 10.292 -8.904 1.00 0.00 C ATOM 0 H VAL A 93 13.361 11.814 -11.569 1.00 0.00 H new ATOM 0 HA VAL A 93 15.909 10.378 -11.170 1.00 0.00 H new ATOM 0 HB VAL A 93 13.127 9.357 -10.494 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.365 7.617 -9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.771 7.614 -10.988 1.00 0.00 H new ATOM 0 HG13 VAL A 93 15.900 8.325 -9.811 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.715 9.696 -8.126 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.223 10.499 -8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.651 11.232 -9.022 1.00 0.00 H new ATOM 1415 N GLU A 94 15.628 9.188 -13.337 1.00 0.00 N ATOM 1416 CA GLU A 94 15.501 8.506 -14.621 1.00 0.00 C ATOM 1417 C GLU A 94 15.534 6.988 -14.439 1.00 0.00 C ATOM 1418 O GLU A 94 16.590 6.411 -14.187 1.00 0.00 O ATOM 1419 CB GLU A 94 16.624 8.944 -15.566 1.00 0.00 C ATOM 1420 CG GLU A 94 16.293 10.201 -16.354 1.00 0.00 C ATOM 1421 CD GLU A 94 17.531 10.945 -16.813 1.00 0.00 C ATOM 1422 OE1 GLU A 94 18.288 10.388 -17.633 1.00 0.00 O ATOM 1423 OE2 GLU A 94 17.741 12.087 -16.352 1.00 0.00 O ATOM 0 H GLU A 94 16.587 9.278 -13.000 1.00 0.00 H new ATOM 0 HA GLU A 94 14.540 8.779 -15.057 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.531 9.116 -14.986 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.840 8.134 -16.262 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.692 9.933 -17.223 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.684 10.862 -15.737 1.00 0.00 H new ATOM 1430 N LEU A 95 14.370 6.351 -14.564 1.00 0.00 N ATOM 1431 CA LEU A 95 14.270 4.901 -14.406 1.00 0.00 C ATOM 1432 C LEU A 95 14.096 4.201 -15.752 1.00 0.00 C ATOM 1433 O LEU A 95 13.755 4.830 -16.754 1.00 0.00 O ATOM 1434 CB LEU A 95 13.090 4.553 -13.492 1.00 0.00 C ATOM 1435 CG LEU A 95 13.156 5.172 -12.096 1.00 0.00 C ATOM 1436 CD1 LEU A 95 12.601 6.587 -12.114 1.00 0.00 C ATOM 1437 CD2 LEU A 95 12.400 4.313 -11.096 1.00 0.00 C ATOM 0 H LEU A 95 13.486 6.815 -14.774 1.00 0.00 H new ATOM 0 HA LEU A 95 15.200 4.552 -13.958 1.00 0.00 H new ATOM 0 HB2 LEU A 95 12.167 4.876 -13.974 1.00 0.00 H new ATOM 0 HB3 LEU A 95 13.034 3.469 -13.391 1.00 0.00 H new ATOM 0 HG LEU A 95 14.201 5.217 -11.788 1.00 0.00 H new ATOM 0 HD11 LEU A 95 12.656 7.012 -11.112 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.187 7.199 -12.800 1.00 0.00 H new ATOM 0 HD13 LEU A 95 11.562 6.566 -12.443 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.458 4.769 -10.108 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.356 4.235 -11.399 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.843 3.318 -11.063 1.00 0.00 H new ATOM 1449 N ILE A 96 14.318 2.890 -15.752 1.00 0.00 N ATOM 1450 CA ILE A 96 14.175 2.073 -16.953 1.00 0.00 C ATOM 1451 C ILE A 96 13.117 0.991 -16.701 1.00 0.00 C ATOM 1452 O ILE A 96 13.138 0.324 -15.666 1.00 0.00 O ATOM 1453 CB ILE A 96 15.537 1.436 -17.365 1.00 0.00 C ATOM 1454 CG1 ILE A 96 16.553 2.534 -17.696 1.00 0.00 C ATOM 1455 CG2 ILE A 96 15.393 0.495 -18.562 1.00 0.00 C ATOM 1456 CD1 ILE A 96 17.059 3.285 -16.484 1.00 0.00 C ATOM 0 H ILE A 96 14.601 2.366 -14.924 1.00 0.00 H new ATOM 0 HA ILE A 96 13.853 2.706 -17.779 1.00 0.00 H new ATOM 0 HB ILE A 96 15.889 0.848 -16.518 1.00 0.00 H new ATOM 0 HG12 ILE A 96 17.401 2.087 -18.214 1.00 0.00 H new ATOM 0 HG13 ILE A 96 16.095 3.243 -18.386 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.367 0.075 -18.814 1.00 0.00 H new ATOM 0 HG22 ILE A 96 14.704 -0.311 -18.310 1.00 0.00 H new ATOM 0 HG23 ILE A 96 15.006 1.050 -19.417 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.774 4.045 -16.799 1.00 0.00 H new ATOM 0 HD12 ILE A 96 16.221 3.763 -15.976 1.00 0.00 H new ATOM 0 HD13 ILE A 96 17.547 2.589 -15.802 1.00 0.00 H new ATOM 1468 N ILE A 97 12.180 0.842 -17.637 1.00 0.00 N ATOM 1469 CA ILE A 97 11.105 -0.140 -17.495 1.00 0.00 C ATOM 1470 C ILE A 97 11.013 -1.060 -18.710 1.00 0.00 C ATOM 1471 O ILE A 97 11.617 -0.798 -19.750 1.00 0.00 O ATOM 1472 CB ILE A 97 9.749 0.556 -17.274 1.00 0.00 C ATOM 1473 CG1 ILE A 97 9.443 1.507 -18.430 1.00 0.00 C ATOM 1474 CG2 ILE A 97 9.757 1.311 -15.953 1.00 0.00 C ATOM 1475 CD1 ILE A 97 8.048 2.093 -18.373 1.00 0.00 C ATOM 0 H ILE A 97 12.143 1.386 -18.499 1.00 0.00 H new ATOM 0 HA ILE A 97 11.345 -0.747 -16.622 1.00 0.00 H new ATOM 0 HB ILE A 97 8.968 -0.204 -17.238 1.00 0.00 H new ATOM 0 HG12 ILE A 97 10.171 2.319 -18.425 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.567 0.973 -19.372 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.793 1.799 -15.807 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.937 0.613 -15.136 1.00 0.00 H new ATOM 0 HG23 ILE A 97 10.546 2.063 -15.968 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.898 2.759 -19.223 1.00 0.00 H new ATOM 0 HD12 ILE A 97 7.314 1.288 -18.408 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.927 2.655 -17.447 1.00 0.00 H new ATOM 1487 N VAL A 98 10.263 -2.151 -18.559 1.00 0.00 N ATOM 1488 CA VAL A 98 10.101 -3.131 -19.630 1.00 0.00 C ATOM 1489 C VAL A 98 8.676 -3.699 -19.654 1.00 0.00 C ATOM 1490 O VAL A 98 8.062 -3.919 -18.609 1.00 0.00 O ATOM 1491 CB VAL A 98 11.136 -4.284 -19.454 1.00 0.00 C ATOM 1492 CG1 VAL A 98 10.979 -5.401 -20.491 1.00 0.00 C ATOM 1493 CG2 VAL A 98 12.547 -3.721 -19.506 1.00 0.00 C ATOM 0 H VAL A 98 9.757 -2.378 -17.703 1.00 0.00 H new ATOM 0 HA VAL A 98 10.278 -2.629 -20.581 1.00 0.00 H new ATOM 0 HB VAL A 98 10.944 -4.734 -18.480 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.729 -6.171 -20.312 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.984 -5.837 -20.408 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.112 -4.990 -21.492 1.00 0.00 H new ATOM 0 HG21 VAL A 98 13.266 -4.530 -19.383 1.00 0.00 H new ATOM 0 HG22 VAL A 98 12.709 -3.235 -20.468 1.00 0.00 H new ATOM 0 HG23 VAL A 98 12.678 -2.994 -18.705 1.00 0.00 H new ATOM 1503 N ARG A 99 8.177 -3.953 -20.861 1.00 0.00 N ATOM 1504 CA ARG A 99 6.847 -4.524 -21.048 1.00 0.00 C ATOM 1505 C ARG A 99 6.993 -5.959 -21.561 1.00 0.00 C ATOM 1506 O ARG A 99 7.346 -6.181 -22.719 1.00 0.00 O ATOM 1507 CB ARG A 99 6.021 -3.674 -22.028 1.00 0.00 C ATOM 1508 CG ARG A 99 4.607 -3.382 -21.539 1.00 0.00 C ATOM 1509 CD ARG A 99 4.487 -1.986 -20.941 1.00 0.00 C ATOM 1510 NE ARG A 99 3.102 -1.508 -20.922 1.00 0.00 N ATOM 1511 CZ ARG A 99 2.425 -1.118 -22.007 1.00 0.00 C ATOM 1512 NH1 ARG A 99 2.985 -1.153 -23.213 1.00 0.00 N ATOM 1513 NH2 ARG A 99 1.175 -0.692 -21.884 1.00 0.00 N ATOM 0 H ARG A 99 8.679 -3.770 -21.730 1.00 0.00 H new ATOM 0 HA ARG A 99 6.317 -4.531 -20.095 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.538 -2.731 -22.203 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.966 -4.190 -22.987 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.908 -3.482 -22.370 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.322 -4.122 -20.792 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.881 -1.993 -19.925 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.101 -1.293 -21.516 1.00 0.00 H new ATOM 0 HE ARG A 99 2.623 -1.470 -20.022 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.945 -1.481 -23.320 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.455 -0.852 -24.031 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.734 -0.663 -20.965 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.654 -0.393 -22.709 1.00 0.00 H new ATOM 1527 N GLU A 100 6.755 -6.929 -20.683 1.00 0.00 N ATOM 1528 CA GLU A 100 6.893 -8.340 -21.041 1.00 0.00 C ATOM 1529 C GLU A 100 5.976 -8.727 -22.198 1.00 0.00 C ATOM 1530 O GLU A 100 4.753 -8.634 -22.092 1.00 0.00 O ATOM 1531 CB GLU A 100 6.601 -9.221 -19.826 1.00 0.00 C ATOM 1532 CG GLU A 100 7.628 -9.073 -18.715 1.00 0.00 C ATOM 1533 CD GLU A 100 8.629 -10.212 -18.686 1.00 0.00 C ATOM 1534 OE1 GLU A 100 8.210 -11.377 -18.858 1.00 0.00 O ATOM 1535 OE2 GLU A 100 9.833 -9.941 -18.490 1.00 0.00 O ATOM 0 H GLU A 100 6.466 -6.766 -19.719 1.00 0.00 H new ATOM 0 HA GLU A 100 7.921 -8.497 -21.367 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.614 -8.973 -19.435 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.566 -10.264 -20.142 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.160 -8.130 -18.842 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.114 -9.022 -17.755 1.00 0.00 H new ATOM 1629 N GLU B 304 2.313 -3.219 -0.315 1.00 0.00 N ATOM 1630 CA GLU B 304 2.800 -2.138 -1.170 1.00 0.00 C ATOM 1631 C GLU B 304 3.444 -1.023 -0.345 1.00 0.00 C ATOM 1632 O GLU B 304 3.045 -0.771 0.793 1.00 0.00 O ATOM 1633 CB GLU B 304 1.652 -1.565 -2.005 1.00 0.00 C ATOM 1634 CG GLU B 304 0.440 -1.165 -1.175 1.00 0.00 C ATOM 1635 CD GLU B 304 -0.749 -2.088 -1.376 1.00 0.00 C ATOM 1636 OE1 GLU B 304 -0.598 -3.308 -1.158 1.00 0.00 O ATOM 1637 OE2 GLU B 304 -1.833 -1.589 -1.747 1.00 0.00 O ATOM 0 HA GLU B 304 3.558 -2.555 -1.833 1.00 0.00 H new ATOM 0 HB2 GLU B 304 2.011 -0.694 -2.553 1.00 0.00 H new ATOM 0 HB3 GLU B 304 1.348 -2.304 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU B 304 0.715 -1.160 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU B 304 0.150 -0.147 -1.433 1.00 0.00 H new ATOM 1644 N THR B 305 4.437 -0.355 -0.932 1.00 17.70 N ATOM 1645 CA THR B 305 5.138 0.739 -0.261 1.00 17.88 C ATOM 1646 C THR B 305 5.152 1.991 -1.135 1.00 17.05 C ATOM 1647 O THR B 305 5.661 1.968 -2.255 1.00 16.06 O ATOM 1648 CB THR B 305 6.574 0.333 0.078 1.00 14.05 C ATOM 1649 OG1 THR B 305 6.612 -0.979 0.610 1.00 17.31 O ATOM 1650 CG2 THR B 305 7.233 1.252 1.085 1.00 13.72 C ATOM 0 H THR B 305 4.775 -0.553 -1.874 1.00 17.70 H new ATOM 0 HA THR B 305 4.604 0.960 0.663 1.00 17.88 H new ATOM 0 HB THR B 305 7.121 0.395 -0.863 1.00 14.05 H new ATOM 0 HG1 THR B 305 7.420 -1.436 0.296 1.00 17.31 H new ATOM 0 HG21 THR B 305 8.249 0.908 1.281 1.00 13.72 H new ATOM 0 HG22 THR B 305 7.264 2.266 0.687 1.00 13.72 H new ATOM 0 HG23 THR B 305 6.662 1.244 2.013 1.00 13.72 H new ATOM 1658 N TRP B 306 4.593 3.080 -0.618 1.00 0.00 N ATOM 1659 CA TRP B 306 4.547 4.339 -1.356 1.00 0.00 C ATOM 1660 C TRP B 306 5.836 5.129 -1.157 1.00 0.00 C ATOM 1661 O TRP B 306 6.072 5.691 -0.088 1.00 0.00 O ATOM 1662 CB TRP B 306 3.348 5.177 -0.906 1.00 0.00 C ATOM 1663 CG TRP B 306 2.034 4.634 -1.377 1.00 0.00 C ATOM 1664 CD1 TRP B 306 1.164 3.861 -0.664 1.00 0.00 C ATOM 1665 CD2 TRP B 306 1.441 4.824 -2.667 1.00 0.00 C ATOM 1666 NE1 TRP B 306 0.064 3.559 -1.432 1.00 0.00 N ATOM 1667 CE2 TRP B 306 0.211 4.138 -2.664 1.00 0.00 C ATOM 1668 CE3 TRP B 306 1.828 5.507 -3.823 1.00 0.00 C ATOM 1669 CZ2 TRP B 306 -0.632 4.118 -3.773 1.00 0.00 C ATOM 1670 CZ3 TRP B 306 0.990 5.486 -4.923 1.00 0.00 C ATOM 1671 CH2 TRP B 306 -0.228 4.795 -4.891 1.00 0.00 C ATOM 0 H TRP B 306 4.166 3.117 0.308 1.00 0.00 H new ATOM 0 HA TRP B 306 4.441 4.107 -2.416 1.00 0.00 H new ATOM 0 HB2 TRP B 306 3.341 5.233 0.183 1.00 0.00 H new ATOM 0 HB3 TRP B 306 3.466 6.195 -1.276 1.00 0.00 H new ATOM 0 HD1 TRP B 306 1.317 3.534 0.354 1.00 0.00 H new ATOM 0 HE1 TRP B 306 -0.732 2.995 -1.133 1.00 0.00 H new ATOM 0 HE3 TRP B 306 2.765 6.042 -3.857 1.00 0.00 H new ATOM 0 HZ2 TRP B 306 -1.572 3.586 -3.751 1.00 0.00 H new ATOM 0 HZ3 TRP B 306 1.279 6.011 -5.821 1.00 0.00 H new ATOM 0 HH2 TRP B 306 -0.861 4.797 -5.766 1.00 0.00 H new ATOM 1682 N VAL B 307 6.667 5.169 -2.194 1.00 16.11 N ATOM 1683 CA VAL B 307 7.932 5.891 -2.132 1.00 15.65 C ATOM 1684 C VAL B 307 7.726 7.382 -2.371 1.00 14.44 C ATOM 1685 O VAL B 307 8.405 8.188 -1.701 1.00 0.00 O ATOM 1686 CB VAL B 307 8.938 5.352 -3.167 1.00 11.15 C ATOM 1687 CG1 VAL B 307 9.379 3.944 -2.801 1.00 14.96 C ATOM 1688 CG2 VAL B 307 8.337 5.385 -4.564 1.00 9.83 C ATOM 1689 OXT VAL B 307 6.886 7.733 -3.227 1.00 0.00 O ATOM 0 H VAL B 307 6.487 4.710 -3.087 1.00 16.11 H new ATOM 0 HA VAL B 307 8.334 5.738 -1.131 1.00 15.65 H new ATOM 0 HB VAL B 307 9.818 5.996 -3.160 1.00 11.15 H new ATOM 0 HG11 VAL B 307 10.089 3.581 -3.544 1.00 14.96 H new ATOM 0 HG12 VAL B 307 9.854 3.955 -1.820 1.00 14.96 H new ATOM 0 HG13 VAL B 307 8.511 3.286 -2.777 1.00 14.96 H new ATOM 0 HG21 VAL B 307 9.062 5.001 -5.281 1.00 9.83 H new ATOM 0 HG22 VAL B 307 7.440 4.767 -4.589 1.00 9.83 H new ATOM 0 HG23 VAL B 307 8.078 6.411 -4.825 1.00 9.83 H new