USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 531 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 46 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-7.3!) USER MOD Set 1.2: A 51 SER OG : rot 170:sc= 0 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 167:sc= 1.34 (180deg=0) USER MOD Set 2.2: A 49 GLN : amide:sc= -0.622 K(o=0.72,f=-6) USER MOD Set 3.1: A 14 TYR OH : rot 150:sc= 0.783 USER MOD Set 3.2: A 16 LYS NZ :NH3+ 136:sc= 0.876 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.49! K(o=-2.5!,f=-1.1) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -129:sc= -0.0501 (180deg=-0.35) USER MOD Single : A 28 GLN : amide:sc= 0.84 K(o=0.84,f=-0.27) USER MOD Single : A 32 GLN : amide:sc= -0.375 K(o=-0.38,f=-7.6!) USER MOD Single : A 39 HIS : no HD1:sc= -0.479 K(o=-0.48,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.71) USER MOD Single : A 55 HIS : no HD1:sc= -0.954 X(o=-0.95,f=-0.87) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -2.66 K(o=-2.7,f=-3.6!) USER MOD Single : A 60 SER OG : rot -130:sc= 0.98 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.652 K(o=-0.65,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 0.724 K(o=0.72,f=-5.1!) USER MOD Single : A 68 GLN : amide:sc= -4.23! K(o=-4.2!,f=-2.5) USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 11.200 0.365 4.394 1.00 0.00 N ATOM 125 CA CYS A 9 12.425 0.708 3.704 1.00 0.00 C ATOM 126 C CYS A 9 12.793 -0.441 2.787 1.00 0.00 C ATOM 127 O CYS A 9 13.514 -1.361 3.164 1.00 0.00 O ATOM 128 CB CYS A 9 13.554 1.014 4.685 1.00 0.00 C ATOM 129 SG CYS A 9 14.687 2.312 4.095 1.00 0.00 S ATOM 0 HA CYS A 9 12.270 1.614 3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.124 1.322 5.638 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.122 0.102 4.871 1.00 0.00 H new ATOM 134 N CYS A 10 12.237 -0.399 1.595 1.00 0.00 N ATOM 135 CA CYS A 10 12.299 -1.513 0.681 1.00 0.00 C ATOM 136 C CYS A 10 13.158 -1.183 -0.530 1.00 0.00 C ATOM 137 O CYS A 10 13.238 -0.027 -0.949 1.00 0.00 O ATOM 138 CB CYS A 10 10.883 -1.860 0.241 1.00 0.00 C ATOM 139 SG CYS A 10 10.719 -3.507 -0.502 1.00 0.00 S ATOM 0 H CYS A 10 11.730 0.409 1.235 1.00 0.00 H new ATOM 0 HA CYS A 10 12.755 -2.365 1.186 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.220 -1.795 1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.545 -1.114 -0.478 1.00 0.00 H new ATOM 144 N THR A 11 13.808 -2.200 -1.079 1.00 0.00 N ATOM 145 CA THR A 11 14.618 -2.030 -2.271 1.00 0.00 C ATOM 146 C THR A 11 14.131 -2.930 -3.409 1.00 0.00 C ATOM 147 O THR A 11 14.706 -2.934 -4.500 1.00 0.00 O ATOM 148 CB THR A 11 16.098 -2.327 -1.976 1.00 0.00 C ATOM 149 OG1 THR A 11 16.214 -3.575 -1.280 1.00 0.00 O ATOM 150 CG2 THR A 11 16.721 -1.218 -1.143 1.00 0.00 C ATOM 0 H THR A 11 13.788 -3.153 -0.715 1.00 0.00 H new ATOM 0 HA THR A 11 14.519 -0.990 -2.583 1.00 0.00 H new ATOM 0 HB THR A 11 16.630 -2.386 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.159 -3.760 -1.096 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.767 -1.453 -0.949 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.656 -0.275 -1.686 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.187 -1.130 -0.197 1.00 0.00 H new ATOM 158 N GLN A 12 13.068 -3.687 -3.151 1.00 0.00 N ATOM 159 CA GLN A 12 12.498 -4.571 -4.165 1.00 0.00 C ATOM 160 C GLN A 12 11.172 -4.008 -4.656 1.00 0.00 C ATOM 161 O GLN A 12 10.142 -4.179 -4.007 1.00 0.00 O ATOM 162 CB GLN A 12 12.278 -5.991 -3.627 1.00 0.00 C ATOM 163 CG GLN A 12 13.483 -6.586 -2.916 1.00 0.00 C ATOM 164 CD GLN A 12 13.259 -6.710 -1.423 1.00 0.00 C ATOM 165 OE1 GLN A 12 13.824 -7.581 -0.762 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.400 -5.856 -0.892 1.00 0.00 N ATOM 0 H GLN A 12 12.585 -3.707 -2.253 1.00 0.00 H new ATOM 0 HA GLN A 12 13.210 -4.627 -4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.434 -5.979 -2.937 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.002 -6.642 -4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.700 -7.570 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.357 -5.962 -3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.955 -5.150 -1.478 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.183 -5.904 0.103 1.00 0.00 H new ATOM 175 N LEU A 13 11.200 -3.320 -5.783 1.00 0.00 N ATOM 176 CA LEU A 13 10.004 -2.686 -6.311 1.00 0.00 C ATOM 177 C LEU A 13 9.323 -3.596 -7.328 1.00 0.00 C ATOM 178 O LEU A 13 9.854 -3.848 -8.412 1.00 0.00 O ATOM 179 CB LEU A 13 10.354 -1.326 -6.918 1.00 0.00 C ATOM 180 CG LEU A 13 11.007 -0.347 -5.936 1.00 0.00 C ATOM 181 CD1 LEU A 13 11.396 0.949 -6.635 1.00 0.00 C ATOM 182 CD2 LEU A 13 10.075 -0.067 -4.762 1.00 0.00 C ATOM 0 H LEU A 13 12.037 -3.186 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 13 9.300 -2.518 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.027 -1.480 -7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.445 -0.873 -7.314 1.00 0.00 H new ATOM 0 HG LEU A 13 11.917 -0.808 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.857 1.626 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.104 0.733 -7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.506 1.417 -7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.555 0.630 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.146 0.368 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.857 -0.999 -4.240 1.00 0.00 H new ATOM 194 N TYR A 14 8.139 -4.076 -6.958 1.00 0.00 N ATOM 195 CA TYR A 14 7.414 -5.086 -7.723 1.00 0.00 C ATOM 196 C TYR A 14 7.018 -4.575 -9.111 1.00 0.00 C ATOM 197 O TYR A 14 7.373 -5.183 -10.120 1.00 0.00 O ATOM 198 CB TYR A 14 6.169 -5.505 -6.937 1.00 0.00 C ATOM 199 CG TYR A 14 5.541 -6.797 -7.408 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.127 -8.022 -7.107 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.364 -6.795 -8.140 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.556 -9.207 -7.528 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.786 -7.975 -8.561 1.00 0.00 C ATOM 204 CZ TYR A 14 4.385 -9.176 -8.254 1.00 0.00 C ATOM 205 OH TYR A 14 3.809 -10.354 -8.672 1.00 0.00 O ATOM 0 H TYR A 14 7.653 -3.773 -6.114 1.00 0.00 H new ATOM 0 HA TYR A 14 8.070 -5.944 -7.872 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.435 -5.607 -5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.427 -4.709 -7.003 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.043 -8.047 -6.535 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.892 -5.855 -8.385 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.024 -10.151 -7.290 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.868 -7.957 -9.129 1.00 0.00 H new ATOM 0 HH TYR A 14 2.837 -10.242 -8.725 1.00 0.00 H new ATOM 215 N ARG A 15 6.275 -3.466 -9.143 1.00 0.00 N ATOM 216 CA ARG A 15 5.853 -2.832 -10.398 1.00 0.00 C ATOM 217 C ARG A 15 4.970 -3.752 -11.238 1.00 0.00 C ATOM 218 O ARG A 15 5.397 -4.264 -12.274 1.00 0.00 O ATOM 219 CB ARG A 15 7.069 -2.391 -11.214 1.00 0.00 C ATOM 220 CG ARG A 15 7.823 -1.224 -10.605 1.00 0.00 C ATOM 221 CD ARG A 15 9.231 -1.138 -11.158 1.00 0.00 C ATOM 222 NE ARG A 15 10.049 -2.270 -10.716 1.00 0.00 N ATOM 223 CZ ARG A 15 11.157 -2.682 -11.326 1.00 0.00 C ATOM 224 NH1 ARG A 15 11.579 -2.084 -12.432 1.00 0.00 N ATOM 225 NH2 ARG A 15 11.839 -3.705 -10.828 1.00 0.00 N ATOM 0 H ARG A 15 5.950 -2.983 -8.306 1.00 0.00 H new ATOM 0 HA ARG A 15 5.261 -1.957 -10.130 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.750 -3.236 -11.320 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.742 -2.117 -12.217 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.291 -0.295 -10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.860 -1.337 -9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.195 -1.117 -12.247 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.694 -0.205 -10.836 1.00 0.00 H new ATOM 0 HE ARG A 15 9.748 -2.777 -9.884 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.053 -1.302 -12.821 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.430 -2.406 -12.893 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.513 -4.171 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.689 -4.025 -11.292 1.00 0.00 H new ATOM 239 N LYS A 16 3.747 -3.961 -10.767 1.00 0.00 N ATOM 240 CA LYS A 16 2.760 -4.763 -11.477 1.00 0.00 C ATOM 241 C LYS A 16 1.440 -4.715 -10.709 1.00 0.00 C ATOM 242 O LYS A 16 1.445 -4.636 -9.479 1.00 0.00 O ATOM 243 CB LYS A 16 3.240 -6.216 -11.615 1.00 0.00 C ATOM 244 CG LYS A 16 2.472 -7.023 -12.651 1.00 0.00 C ATOM 245 CD LYS A 16 2.961 -8.461 -12.716 1.00 0.00 C ATOM 246 CE LYS A 16 2.545 -9.243 -11.482 1.00 0.00 C ATOM 247 NZ LYS A 16 3.166 -10.592 -11.440 1.00 0.00 N ATOM 0 H LYS A 16 3.412 -3.579 -9.882 1.00 0.00 H new ATOM 0 HA LYS A 16 2.620 -4.358 -12.479 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.297 -6.215 -11.880 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.154 -6.710 -10.647 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.409 -7.010 -12.408 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.581 -6.557 -13.630 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.560 -8.944 -13.607 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.047 -8.474 -12.808 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.827 -8.686 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.460 -9.343 -11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.515 -10.784 -10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.459 -11.308 -11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.960 -10.630 -12.110 1.00 0.00 H new ATOM 261 N PRO A 17 0.298 -4.693 -11.415 1.00 0.00 N ATOM 262 CA PRO A 17 -1.021 -4.774 -10.777 1.00 0.00 C ATOM 263 C PRO A 17 -1.169 -6.032 -9.922 1.00 0.00 C ATOM 264 O PRO A 17 -0.999 -7.151 -10.412 1.00 0.00 O ATOM 265 CB PRO A 17 -1.994 -4.809 -11.960 1.00 0.00 C ATOM 266 CG PRO A 17 -1.248 -4.187 -13.088 1.00 0.00 C ATOM 267 CD PRO A 17 0.193 -4.556 -12.879 1.00 0.00 C ATOM 0 HA PRO A 17 -1.197 -3.942 -10.096 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.290 -5.831 -12.198 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.907 -4.256 -11.737 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.611 -4.556 -14.047 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.378 -3.105 -13.093 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.449 -5.485 -13.389 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.865 -3.787 -13.260 1.00 0.00 H new ATOM 275 N LEU A 18 -1.466 -5.838 -8.643 1.00 0.00 N ATOM 276 CA LEU A 18 -1.633 -6.948 -7.717 1.00 0.00 C ATOM 277 C LEU A 18 -3.047 -7.506 -7.800 1.00 0.00 C ATOM 278 O LEU A 18 -3.975 -6.818 -8.228 1.00 0.00 O ATOM 279 CB LEU A 18 -1.333 -6.507 -6.280 1.00 0.00 C ATOM 280 CG LEU A 18 0.122 -6.129 -6.000 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.289 -5.707 -4.549 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.045 -7.292 -6.324 1.00 0.00 C ATOM 0 H LEU A 18 -1.596 -4.918 -8.223 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.927 -7.729 -7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.965 -5.652 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.618 -7.313 -5.604 1.00 0.00 H new ATOM 0 HG LEU A 18 0.390 -5.288 -6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.330 -5.441 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.347 -4.846 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.004 -6.531 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.077 -7.006 -6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.778 -8.151 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.944 -7.554 -7.377 1.00 0.00 H new ATOM 294 N SER A 19 -3.198 -8.754 -7.395 1.00 0.00 N ATOM 295 CA SER A 19 -4.492 -9.408 -7.392 1.00 0.00 C ATOM 296 C SER A 19 -5.348 -8.883 -6.244 1.00 0.00 C ATOM 297 O SER A 19 -4.891 -8.812 -5.103 1.00 0.00 O ATOM 298 CB SER A 19 -4.300 -10.916 -7.265 1.00 0.00 C ATOM 299 OG SER A 19 -3.354 -11.387 -8.211 1.00 0.00 O ATOM 0 H SER A 19 -2.432 -9.339 -7.061 1.00 0.00 H new ATOM 0 HA SER A 19 -5.005 -9.191 -8.329 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.965 -11.160 -6.257 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.254 -11.422 -7.415 1.00 0.00 H new ATOM 0 HG SER A 19 -3.245 -12.356 -8.110 1.00 0.00 H new ATOM 305 N ASP A 20 -6.588 -8.525 -6.555 1.00 0.00 N ATOM 306 CA ASP A 20 -7.512 -7.971 -5.566 1.00 0.00 C ATOM 307 C ASP A 20 -7.728 -8.959 -4.425 1.00 0.00 C ATOM 308 O ASP A 20 -7.982 -8.569 -3.284 1.00 0.00 O ATOM 309 CB ASP A 20 -8.848 -7.640 -6.226 1.00 0.00 C ATOM 310 CG ASP A 20 -9.756 -6.814 -5.342 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.533 -5.588 -5.235 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.712 -7.380 -4.769 1.00 0.00 O ATOM 0 H ASP A 20 -6.982 -8.609 -7.492 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.078 -7.058 -5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.664 -7.099 -7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.355 -8.567 -6.492 1.00 0.00 H new ATOM 317 N LYS A 21 -7.610 -10.245 -4.749 1.00 0.00 N ATOM 318 CA LYS A 21 -7.736 -11.310 -3.762 1.00 0.00 C ATOM 319 C LYS A 21 -6.736 -11.135 -2.625 1.00 0.00 C ATOM 320 O LYS A 21 -7.097 -11.237 -1.453 1.00 0.00 O ATOM 321 CB LYS A 21 -7.523 -12.673 -4.430 1.00 0.00 C ATOM 322 CG LYS A 21 -8.609 -13.039 -5.427 1.00 0.00 C ATOM 323 CD LYS A 21 -9.943 -13.292 -4.741 1.00 0.00 C ATOM 324 CE LYS A 21 -9.929 -14.583 -3.934 1.00 0.00 C ATOM 325 NZ LYS A 21 -9.711 -15.776 -4.796 1.00 0.00 N ATOM 0 H LYS A 21 -7.426 -10.574 -5.697 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.741 -11.260 -3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.559 -12.672 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.475 -13.442 -3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.721 -12.235 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.310 -13.929 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.178 -12.455 -4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.733 -13.340 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.143 -14.531 -3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.874 -14.688 -3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.443 -16.487 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.764 -15.496 -5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.773 -16.180 -4.599 1.00 0.00 H new ATOM 339 N LEU A 22 -5.477 -10.882 -2.967 1.00 0.00 N ATOM 340 CA LEU A 22 -4.463 -10.655 -1.948 1.00 0.00 C ATOM 341 C LEU A 22 -4.628 -9.266 -1.343 1.00 0.00 C ATOM 342 O LEU A 22 -4.345 -9.054 -0.166 1.00 0.00 O ATOM 343 CB LEU A 22 -3.040 -10.875 -2.505 1.00 0.00 C ATOM 344 CG LEU A 22 -2.550 -9.891 -3.578 1.00 0.00 C ATOM 345 CD1 LEU A 22 -2.001 -8.618 -2.946 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.494 -10.548 -4.455 1.00 0.00 C ATOM 0 H LEU A 22 -5.139 -10.830 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.603 -11.388 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.341 -10.841 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.991 -11.881 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.402 -9.617 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.662 -7.940 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.784 -8.135 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.164 -8.867 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.156 -9.839 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.648 -10.853 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.921 -11.424 -4.944 1.00 0.00 H new ATOM 358 N LEU A 23 -5.110 -8.331 -2.155 1.00 0.00 N ATOM 359 CA LEU A 23 -5.267 -6.947 -1.728 1.00 0.00 C ATOM 360 C LEU A 23 -6.226 -6.826 -0.548 1.00 0.00 C ATOM 361 O LEU A 23 -5.962 -6.085 0.390 1.00 0.00 O ATOM 362 CB LEU A 23 -5.747 -6.072 -2.890 1.00 0.00 C ATOM 363 CG LEU A 23 -4.706 -5.807 -3.984 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.311 -4.988 -5.115 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.495 -5.094 -3.400 1.00 0.00 C ATOM 0 H LEU A 23 -5.400 -8.509 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.288 -6.596 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.616 -6.547 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.080 -5.115 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.383 -6.765 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.556 -4.811 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.149 -5.532 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.663 -4.033 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.764 -4.913 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.806 -4.143 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.046 -5.715 -2.625 1.00 0.00 H new ATOM 377 N ARG A 24 -7.322 -7.581 -0.571 1.00 0.00 N ATOM 378 CA ARG A 24 -8.318 -7.512 0.503 1.00 0.00 C ATOM 379 C ARG A 24 -7.750 -7.987 1.849 1.00 0.00 C ATOM 380 O ARG A 24 -8.461 -8.022 2.853 1.00 0.00 O ATOM 381 CB ARG A 24 -9.564 -8.326 0.139 1.00 0.00 C ATOM 382 CG ARG A 24 -9.377 -9.830 0.214 1.00 0.00 C ATOM 383 CD ARG A 24 -10.654 -10.554 -0.173 1.00 0.00 C ATOM 384 NE ARG A 24 -10.631 -11.958 0.221 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.701 -12.751 0.216 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.873 -12.296 -0.215 1.00 0.00 N ATOM 387 NH2 ARG A 24 -11.592 -14.003 0.639 1.00 0.00 N ATOM 0 H ARG A 24 -7.545 -8.244 -1.314 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.596 -6.464 0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.377 -8.040 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.873 -8.061 -0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.567 -10.133 -0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.085 -10.114 1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.506 -10.061 0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.798 -10.483 -1.251 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.741 -12.357 0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.957 -11.334 -0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.689 -12.908 -0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.692 -14.354 0.966 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.408 -14.615 0.637 1.00 0.00 H new ATOM 401 N LYS A 25 -6.471 -8.334 1.861 1.00 0.00 N ATOM 402 CA LYS A 25 -5.794 -8.775 3.077 1.00 0.00 C ATOM 403 C LYS A 25 -4.727 -7.778 3.500 1.00 0.00 C ATOM 404 O LYS A 25 -4.033 -7.994 4.496 1.00 0.00 O ATOM 405 CB LYS A 25 -5.121 -10.123 2.884 1.00 0.00 C ATOM 406 CG LYS A 25 -6.048 -11.222 2.401 1.00 0.00 C ATOM 407 CD LYS A 25 -5.330 -12.557 2.358 1.00 0.00 C ATOM 408 CE LYS A 25 -4.182 -12.536 1.369 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.380 -13.787 1.415 1.00 0.00 N ATOM 0 H LYS A 25 -5.874 -8.319 1.034 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.562 -8.854 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.307 -10.010 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.674 -10.431 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.912 -11.291 3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.425 -10.975 1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.952 -12.801 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.035 -13.342 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.574 -12.395 0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.536 -11.684 1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.752 -13.827 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.809 -13.802 2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.018 -14.609 1.406 1.00 0.00 H new ATOM 423 N VAL A 26 -4.564 -6.712 2.730 1.00 0.00 N ATOM 424 CA VAL A 26 -3.573 -5.701 3.054 1.00 0.00 C ATOM 425 C VAL A 26 -4.054 -4.909 4.254 1.00 0.00 C ATOM 426 O VAL A 26 -4.968 -4.099 4.151 1.00 0.00 O ATOM 427 CB VAL A 26 -3.292 -4.752 1.871 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.175 -3.791 2.227 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.933 -5.536 0.618 1.00 0.00 C ATOM 0 H VAL A 26 -5.102 -6.527 1.883 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.635 -6.208 3.282 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.199 -4.182 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.985 -3.126 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.466 -3.201 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.270 -4.354 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.740 -4.844 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.041 -6.134 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.761 -6.193 0.350 1.00 0.00 H new ATOM 439 N ILE A 27 -3.443 -5.168 5.397 1.00 0.00 N ATOM 440 CA ILE A 27 -3.953 -4.673 6.662 1.00 0.00 C ATOM 441 C ILE A 27 -3.703 -3.175 6.833 1.00 0.00 C ATOM 442 O ILE A 27 -4.509 -2.482 7.453 1.00 0.00 O ATOM 443 CB ILE A 27 -3.352 -5.464 7.845 1.00 0.00 C ATOM 444 CG1 ILE A 27 -1.828 -5.310 7.889 1.00 0.00 C ATOM 445 CG2 ILE A 27 -3.740 -6.935 7.729 1.00 0.00 C ATOM 446 CD1 ILE A 27 -1.172 -6.018 9.058 1.00 0.00 C ATOM 0 H ILE A 27 -2.589 -5.721 5.474 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.032 -4.825 6.655 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.754 -5.062 8.775 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.407 -5.696 6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.581 -4.249 7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.315 -7.490 8.565 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.826 -7.027 7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.357 -7.340 6.792 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.094 -5.862 9.019 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.563 -5.616 9.993 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.386 -7.085 9.004 1.00 0.00 H new ATOM 458 N GLN A 28 -2.602 -2.679 6.273 1.00 0.00 N ATOM 459 CA GLN A 28 -2.269 -1.259 6.347 1.00 0.00 C ATOM 460 C GLN A 28 -1.469 -0.833 5.124 1.00 0.00 C ATOM 461 O GLN A 28 -0.812 -1.655 4.483 1.00 0.00 O ATOM 462 CB GLN A 28 -1.466 -0.940 7.617 1.00 0.00 C ATOM 463 CG GLN A 28 -2.296 -0.887 8.894 1.00 0.00 C ATOM 464 CD GLN A 28 -3.287 0.266 8.910 1.00 0.00 C ATOM 465 OE1 GLN A 28 -2.970 1.367 9.358 1.00 0.00 O ATOM 466 NE2 GLN A 28 -4.493 0.021 8.423 1.00 0.00 N ATOM 0 H GLN A 28 -1.923 -3.242 5.761 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.207 -0.705 6.378 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.686 -1.692 7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.966 0.019 7.484 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.837 -1.826 9.008 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.629 -0.797 9.751 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.718 -0.905 8.060 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.197 0.759 8.410 1.00 0.00 H new ATOM 475 N VAL A 29 -1.536 0.451 4.805 1.00 0.00 N ATOM 476 CA VAL A 29 -0.762 1.016 3.707 1.00 0.00 C ATOM 477 C VAL A 29 0.241 2.022 4.254 1.00 0.00 C ATOM 478 O VAL A 29 -0.103 2.857 5.090 1.00 0.00 O ATOM 479 CB VAL A 29 -1.672 1.703 2.665 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.850 2.339 1.551 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.665 0.710 2.089 1.00 0.00 C ATOM 0 H VAL A 29 -2.123 1.127 5.295 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.238 0.200 3.209 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.223 2.495 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.517 2.815 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.180 3.087 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.263 1.571 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.298 1.211 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.126 -0.105 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.285 0.309 2.891 1.00 0.00 H new ATOM 491 N GLU A 30 1.475 1.936 3.783 1.00 0.00 N ATOM 492 CA GLU A 30 2.545 2.773 4.296 1.00 0.00 C ATOM 493 C GLU A 30 3.317 3.447 3.165 1.00 0.00 C ATOM 494 O GLU A 30 3.555 2.854 2.110 1.00 0.00 O ATOM 495 CB GLU A 30 3.478 1.925 5.155 1.00 0.00 C ATOM 496 CG GLU A 30 3.942 0.653 4.465 1.00 0.00 C ATOM 497 CD GLU A 30 4.301 -0.437 5.450 1.00 0.00 C ATOM 498 OE1 GLU A 30 3.530 -0.657 6.411 1.00 0.00 O ATOM 499 OE2 GLU A 30 5.347 -1.087 5.274 1.00 0.00 O ATOM 0 H GLU A 30 1.760 1.293 3.044 1.00 0.00 H new ATOM 0 HA GLU A 30 2.109 3.565 4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.349 2.520 5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.968 1.662 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.155 0.295 3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.808 0.876 3.842 1.00 0.00 H new ATOM 506 N LEU A 31 3.693 4.697 3.390 1.00 0.00 N ATOM 507 CA LEU A 31 4.461 5.451 2.414 1.00 0.00 C ATOM 508 C LEU A 31 5.919 5.559 2.837 1.00 0.00 C ATOM 509 O LEU A 31 6.248 6.200 3.839 1.00 0.00 O ATOM 510 CB LEU A 31 3.863 6.848 2.221 1.00 0.00 C ATOM 511 CG LEU A 31 4.703 7.808 1.369 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.917 7.245 -0.030 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.041 9.174 1.299 1.00 0.00 C ATOM 0 H LEU A 31 3.477 5.211 4.244 1.00 0.00 H new ATOM 0 HA LEU A 31 4.416 4.916 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.881 6.744 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.709 7.298 3.202 1.00 0.00 H new ATOM 0 HG LEU A 31 5.678 7.920 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.515 7.943 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.437 6.290 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.952 7.099 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.650 9.843 0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.052 9.076 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.946 9.584 2.304 1.00 0.00 H new ATOM 525 N GLN A 32 6.782 4.919 2.069 1.00 0.00 N ATOM 526 CA GLN A 32 8.215 5.017 2.265 1.00 0.00 C ATOM 527 C GLN A 32 8.717 6.316 1.652 1.00 0.00 C ATOM 528 O GLN A 32 8.745 6.466 0.431 1.00 0.00 O ATOM 529 CB GLN A 32 8.909 3.820 1.627 1.00 0.00 C ATOM 530 CG GLN A 32 10.420 3.849 1.742 1.00 0.00 C ATOM 531 CD GLN A 32 11.061 2.640 1.103 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.480 1.556 1.064 1.00 0.00 O ATOM 533 NE2 GLN A 32 12.265 2.815 0.596 1.00 0.00 N ATOM 0 H GLN A 32 6.508 4.317 1.292 1.00 0.00 H new ATOM 0 HA GLN A 32 8.441 5.016 3.331 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.537 2.907 2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.636 3.774 0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.802 4.754 1.269 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.702 3.895 2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.713 3.730 0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.749 2.035 0.151 1.00 0.00 H new ATOM 542 N GLU A 33 9.077 7.261 2.504 1.00 0.00 N ATOM 543 CA GLU A 33 9.498 8.576 2.048 1.00 0.00 C ATOM 544 C GLU A 33 10.939 8.551 1.562 1.00 0.00 C ATOM 545 O GLU A 33 11.799 7.908 2.167 1.00 0.00 O ATOM 546 CB GLU A 33 9.332 9.596 3.170 1.00 0.00 C ATOM 547 CG GLU A 33 7.886 9.794 3.583 1.00 0.00 C ATOM 548 CD GLU A 33 7.737 10.760 4.735 1.00 0.00 C ATOM 549 OE1 GLU A 33 7.872 11.980 4.512 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.495 10.300 5.869 1.00 0.00 O ATOM 0 H GLU A 33 9.086 7.142 3.517 1.00 0.00 H new ATOM 0 HA GLU A 33 8.866 8.866 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.910 9.273 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.746 10.552 2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.316 10.161 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.457 8.832 3.863 1.00 0.00 H new ATOM 557 N ALA A 34 11.194 9.286 0.487 1.00 0.00 N ATOM 558 CA ALA A 34 12.494 9.287 -0.174 1.00 0.00 C ATOM 559 C ALA A 34 13.479 10.232 0.497 1.00 0.00 C ATOM 560 O ALA A 34 14.518 10.560 -0.078 1.00 0.00 O ATOM 561 CB ALA A 34 12.328 9.671 -1.634 1.00 0.00 C ATOM 0 H ALA A 34 10.506 9.898 0.048 1.00 0.00 H new ATOM 0 HA ALA A 34 12.901 8.279 -0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.302 9.670 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.674 8.952 -2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.889 10.667 -1.701 1.00 0.00 H new ATOM 567 N ASP A 35 13.167 10.654 1.712 1.00 0.00 N ATOM 568 CA ASP A 35 14.045 11.565 2.433 1.00 0.00 C ATOM 569 C ASP A 35 13.813 11.493 3.937 1.00 0.00 C ATOM 570 O ASP A 35 14.761 11.356 4.712 1.00 0.00 O ATOM 571 CB ASP A 35 13.832 12.999 1.946 1.00 0.00 C ATOM 572 CG ASP A 35 14.684 14.004 2.692 1.00 0.00 C ATOM 573 OD1 ASP A 35 15.829 14.256 2.265 1.00 0.00 O ATOM 574 OD2 ASP A 35 14.209 14.555 3.703 1.00 0.00 O ATOM 0 H ASP A 35 12.322 10.385 2.216 1.00 0.00 H new ATOM 0 HA ASP A 35 15.073 11.261 2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.061 13.054 0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.781 13.264 2.060 1.00 0.00 H new ATOM 579 N GLY A 36 12.549 11.591 4.342 1.00 0.00 N ATOM 580 CA GLY A 36 12.213 11.563 5.757 1.00 0.00 C ATOM 581 C GLY A 36 12.595 10.259 6.430 1.00 0.00 C ATOM 582 O GLY A 36 12.965 10.238 7.606 1.00 0.00 O ATOM 0 H GLY A 36 11.750 11.689 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.717 12.387 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.142 11.726 5.874 1.00 0.00 H new ATOM 586 N ASP A 37 12.523 9.168 5.684 1.00 0.00 N ATOM 587 CA ASP A 37 12.830 7.859 6.234 1.00 0.00 C ATOM 588 C ASP A 37 14.032 7.257 5.521 1.00 0.00 C ATOM 589 O ASP A 37 15.100 7.093 6.112 1.00 0.00 O ATOM 590 CB ASP A 37 11.621 6.932 6.098 1.00 0.00 C ATOM 591 CG ASP A 37 11.703 5.723 7.011 1.00 0.00 C ATOM 592 OD1 ASP A 37 12.768 5.078 7.070 1.00 0.00 O ATOM 593 OD2 ASP A 37 10.691 5.412 7.670 1.00 0.00 O ATOM 0 H ASP A 37 12.256 9.163 4.700 1.00 0.00 H new ATOM 0 HA ASP A 37 13.069 7.973 7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.713 7.491 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.540 6.596 5.064 1.00 0.00 H new ATOM 598 N CYS A 38 13.859 6.967 4.241 1.00 0.00 N ATOM 599 CA CYS A 38 14.897 6.320 3.454 1.00 0.00 C ATOM 600 C CYS A 38 15.415 7.269 2.378 1.00 0.00 C ATOM 601 O CYS A 38 15.093 8.456 2.388 1.00 0.00 O ATOM 602 CB CYS A 38 14.328 5.063 2.805 1.00 0.00 C ATOM 603 SG CYS A 38 13.483 3.944 3.969 1.00 0.00 S ATOM 0 H CYS A 38 13.004 7.171 3.723 1.00 0.00 H new ATOM 0 HA CYS A 38 15.726 6.051 4.109 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.626 5.356 2.024 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.138 4.520 2.318 1.00 0.00 H new ATOM 608 N HIS A 39 16.220 6.752 1.453 1.00 0.00 N ATOM 609 CA HIS A 39 16.740 7.574 0.364 1.00 0.00 C ATOM 610 C HIS A 39 15.894 7.419 -0.902 1.00 0.00 C ATOM 611 O HIS A 39 16.115 8.115 -1.890 1.00 0.00 O ATOM 612 CB HIS A 39 18.212 7.235 0.066 1.00 0.00 C ATOM 613 CG HIS A 39 18.418 6.023 -0.803 1.00 0.00 C ATOM 614 ND1 HIS A 39 18.649 6.104 -2.160 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.441 4.702 -0.502 1.00 0.00 C ATOM 616 CE1 HIS A 39 18.797 4.892 -2.656 1.00 0.00 C ATOM 617 NE2 HIS A 39 18.678 4.019 -1.671 1.00 0.00 N ATOM 0 H HIS A 39 16.524 5.778 1.435 1.00 0.00 H new ATOM 0 HA HIS A 39 16.685 8.614 0.687 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.677 8.094 -0.417 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.733 7.080 1.011 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.299 4.266 0.476 1.00 0.00 H new ATOM 0 HE1 HIS A 39 18.984 4.653 -3.692 1.00 0.00 H new ATOM 0 HE2 HIS A 39 18.750 3.006 -1.763 1.00 0.00 H new ATOM 626 N LEU A 40 14.933 6.505 -0.874 1.00 0.00 N ATOM 627 CA LEU A 40 14.089 6.257 -2.040 1.00 0.00 C ATOM 628 C LEU A 40 12.630 6.148 -1.616 1.00 0.00 C ATOM 629 O LEU A 40 12.339 5.796 -0.470 1.00 0.00 O ATOM 630 CB LEU A 40 14.548 4.988 -2.780 1.00 0.00 C ATOM 631 CG LEU A 40 14.288 3.656 -2.070 1.00 0.00 C ATOM 632 CD1 LEU A 40 12.983 3.038 -2.551 1.00 0.00 C ATOM 633 CD2 LEU A 40 15.443 2.697 -2.296 1.00 0.00 C ATOM 0 H LEU A 40 14.718 5.925 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 40 14.183 7.097 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.053 4.960 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.618 5.071 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 40 14.204 3.850 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.816 2.093 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.158 3.718 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.039 2.860 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.240 1.756 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.558 2.511 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 40 16.361 3.134 -1.902 1.00 0.00 H new ATOM 645 N GLN A 41 11.725 6.458 -2.539 1.00 0.00 N ATOM 646 CA GLN A 41 10.297 6.470 -2.244 1.00 0.00 C ATOM 647 C GLN A 41 9.643 5.177 -2.711 1.00 0.00 C ATOM 648 O GLN A 41 9.944 4.676 -3.796 1.00 0.00 O ATOM 649 CB GLN A 41 9.626 7.669 -2.926 1.00 0.00 C ATOM 650 CG GLN A 41 8.171 7.863 -2.539 1.00 0.00 C ATOM 651 CD GLN A 41 7.510 8.994 -3.301 1.00 0.00 C ATOM 652 OE1 GLN A 41 7.854 9.274 -4.451 1.00 0.00 O ATOM 653 NE2 GLN A 41 6.561 9.660 -2.663 1.00 0.00 N ATOM 0 H GLN A 41 11.957 6.705 -3.501 1.00 0.00 H new ATOM 0 HA GLN A 41 10.170 6.556 -1.165 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.181 8.573 -2.677 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.690 7.542 -4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.624 6.938 -2.722 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.107 8.065 -1.470 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.305 9.397 -1.711 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.085 10.436 -3.123 1.00 0.00 H new ATOM 662 N ALA A 42 8.752 4.640 -1.889 1.00 0.00 N ATOM 663 CA ALA A 42 8.036 3.420 -2.232 1.00 0.00 C ATOM 664 C ALA A 42 6.676 3.376 -1.552 1.00 0.00 C ATOM 665 O ALA A 42 6.516 3.833 -0.423 1.00 0.00 O ATOM 666 CB ALA A 42 8.850 2.193 -1.843 1.00 0.00 C ATOM 0 H ALA A 42 8.508 5.031 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 42 7.884 3.416 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.298 1.291 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.802 2.205 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.034 2.204 -0.769 1.00 0.00 H new ATOM 672 N PHE A 43 5.698 2.838 -2.253 1.00 0.00 N ATOM 673 CA PHE A 43 4.395 2.580 -1.670 1.00 0.00 C ATOM 674 C PHE A 43 4.283 1.104 -1.352 1.00 0.00 C ATOM 675 O PHE A 43 4.048 0.284 -2.235 1.00 0.00 O ATOM 676 CB PHE A 43 3.277 2.995 -2.619 1.00 0.00 C ATOM 677 CG PHE A 43 3.049 4.476 -2.688 1.00 0.00 C ATOM 678 CD1 PHE A 43 2.156 5.086 -1.824 1.00 0.00 C ATOM 679 CD2 PHE A 43 3.716 5.254 -3.619 1.00 0.00 C ATOM 680 CE1 PHE A 43 1.934 6.448 -1.886 1.00 0.00 C ATOM 681 CE2 PHE A 43 3.498 6.618 -3.686 1.00 0.00 C ATOM 682 CZ PHE A 43 2.606 7.215 -2.818 1.00 0.00 C ATOM 0 H PHE A 43 5.781 2.569 -3.233 1.00 0.00 H new ATOM 0 HA PHE A 43 4.293 3.168 -0.758 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.509 2.627 -3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.352 2.510 -2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.627 4.491 -1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.414 4.791 -4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.235 6.913 -1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.025 7.215 -4.416 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.434 8.280 -2.867 1.00 0.00 H new ATOM 692 N VAL A 44 4.473 0.764 -0.098 1.00 0.00 N ATOM 693 CA VAL A 44 4.542 -0.629 0.289 1.00 0.00 C ATOM 694 C VAL A 44 3.225 -1.077 0.902 1.00 0.00 C ATOM 695 O VAL A 44 2.707 -0.454 1.830 1.00 0.00 O ATOM 696 CB VAL A 44 5.716 -0.873 1.260 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.909 -2.360 1.542 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.987 -0.264 0.685 1.00 0.00 C ATOM 0 H VAL A 44 4.582 1.428 0.669 1.00 0.00 H new ATOM 0 HA VAL A 44 4.721 -1.225 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 44 5.484 -0.392 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.744 -2.495 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.002 -2.766 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.119 -2.883 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.816 -0.437 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.210 -0.727 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.847 0.808 0.548 1.00 0.00 H new ATOM 708 N LEU A 45 2.668 -2.137 0.347 1.00 0.00 N ATOM 709 CA LEU A 45 1.404 -2.665 0.812 1.00 0.00 C ATOM 710 C LEU A 45 1.659 -3.786 1.801 1.00 0.00 C ATOM 711 O LEU A 45 2.221 -4.830 1.454 1.00 0.00 O ATOM 712 CB LEU A 45 0.564 -3.141 -0.372 1.00 0.00 C ATOM 713 CG LEU A 45 0.259 -2.045 -1.399 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.644 -2.567 -2.504 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.370 -0.837 -0.718 1.00 0.00 C ATOM 0 H LEU A 45 3.077 -2.651 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 45 0.842 -1.881 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.087 -3.957 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.376 -3.546 0.002 1.00 0.00 H new ATOM 0 HG LEU A 45 1.200 -1.736 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.844 -1.768 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.153 -3.396 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.584 -2.912 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.580 -0.068 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.299 -1.136 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.318 -0.441 0.029 1.00 0.00 H new ATOM 727 N HIS A 46 1.253 -3.556 3.035 1.00 0.00 N ATOM 728 CA HIS A 46 1.632 -4.428 4.132 1.00 0.00 C ATOM 729 C HIS A 46 0.494 -5.366 4.507 1.00 0.00 C ATOM 730 O HIS A 46 -0.543 -4.935 5.015 1.00 0.00 O ATOM 731 CB HIS A 46 2.036 -3.587 5.344 1.00 0.00 C ATOM 732 CG HIS A 46 3.245 -4.101 6.064 1.00 0.00 C ATOM 733 ND1 HIS A 46 4.441 -3.419 6.103 1.00 0.00 N ATOM 734 CD2 HIS A 46 3.442 -5.235 6.779 1.00 0.00 C ATOM 735 CE1 HIS A 46 5.316 -4.102 6.802 1.00 0.00 C ATOM 736 NE2 HIS A 46 4.741 -5.211 7.228 1.00 0.00 N ATOM 0 H HIS A 46 0.660 -2.771 3.304 1.00 0.00 H new ATOM 0 HA HIS A 46 2.478 -5.035 3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.227 -2.565 5.017 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.199 -3.547 6.042 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.715 -6.012 6.962 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.336 -3.806 6.996 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.187 -5.931 7.796 1.00 0.00 H new ATOM 745 N LEU A 47 0.687 -6.650 4.251 1.00 0.00 N ATOM 746 CA LEU A 47 -0.272 -7.665 4.656 1.00 0.00 C ATOM 747 C LEU A 47 0.217 -8.350 5.922 1.00 0.00 C ATOM 748 O LEU A 47 1.389 -8.246 6.281 1.00 0.00 O ATOM 749 CB LEU A 47 -0.481 -8.723 3.566 1.00 0.00 C ATOM 750 CG LEU A 47 -1.079 -8.233 2.245 1.00 0.00 C ATOM 751 CD1 LEU A 47 -0.021 -7.562 1.383 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.719 -9.392 1.498 1.00 0.00 C ATOM 0 H LEU A 47 1.504 -7.015 3.762 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.225 -7.166 4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.481 -9.188 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.130 -9.502 3.966 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.847 -7.493 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.473 -7.223 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.394 -6.707 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.774 -8.274 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.141 -9.032 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.965 -10.151 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.511 -9.826 2.109 1.00 0.00 H new ATOM 764 N ALA A 48 -0.668 -9.094 6.565 1.00 0.00 N ATOM 765 CA ALA A 48 -0.345 -9.736 7.836 1.00 0.00 C ATOM 766 C ALA A 48 0.571 -10.934 7.623 1.00 0.00 C ATOM 767 O ALA A 48 1.132 -11.482 8.573 1.00 0.00 O ATOM 768 CB ALA A 48 -1.618 -10.162 8.552 1.00 0.00 C ATOM 0 H ALA A 48 -1.616 -9.270 6.231 1.00 0.00 H new ATOM 0 HA ALA A 48 0.182 -9.013 8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.361 -10.639 9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.238 -9.286 8.744 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.168 -10.866 7.928 1.00 0.00 H new ATOM 774 N GLN A 49 0.720 -11.343 6.369 1.00 0.00 N ATOM 775 CA GLN A 49 1.551 -12.490 6.045 1.00 0.00 C ATOM 776 C GLN A 49 2.786 -12.060 5.263 1.00 0.00 C ATOM 777 O GLN A 49 3.808 -12.745 5.276 1.00 0.00 O ATOM 778 CB GLN A 49 0.788 -13.524 5.203 1.00 0.00 C ATOM 779 CG GLN A 49 -0.702 -13.653 5.498 1.00 0.00 C ATOM 780 CD GLN A 49 -1.544 -12.712 4.653 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.874 -13.021 3.512 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.947 -11.587 5.219 1.00 0.00 N ATOM 0 H GLN A 49 0.277 -10.898 5.565 1.00 0.00 H new ATOM 0 HA GLN A 49 1.843 -12.941 6.993 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.910 -13.268 4.150 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.254 -14.499 5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.018 -14.680 5.317 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.880 -13.446 6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.654 -11.361 6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.551 -10.945 4.705 1.00 0.00 H new ATOM 791 N ARG A 50 2.695 -10.916 4.597 1.00 0.00 N ATOM 792 CA ARG A 50 3.690 -10.541 3.599 1.00 0.00 C ATOM 793 C ARG A 50 3.609 -9.056 3.290 1.00 0.00 C ATOM 794 O ARG A 50 2.691 -8.380 3.737 1.00 0.00 O ATOM 795 CB ARG A 50 3.454 -11.356 2.324 1.00 0.00 C ATOM 796 CG ARG A 50 2.043 -11.202 1.772 1.00 0.00 C ATOM 797 CD ARG A 50 1.661 -12.350 0.856 1.00 0.00 C ATOM 798 NE ARG A 50 2.469 -12.381 -0.366 1.00 0.00 N ATOM 799 CZ ARG A 50 3.192 -13.432 -0.757 1.00 0.00 C ATOM 800 NH1 ARG A 50 3.265 -14.516 0.009 1.00 0.00 N ATOM 801 NH2 ARG A 50 3.856 -13.384 -1.908 1.00 0.00 N ATOM 0 H ARG A 50 1.947 -10.235 4.728 1.00 0.00 H new ATOM 0 HA ARG A 50 4.685 -10.752 3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.171 -11.047 1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.644 -12.409 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.335 -11.147 2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.968 -10.262 1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.779 -13.293 1.390 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.607 -12.264 0.590 1.00 0.00 H new ATOM 0 HE ARG A 50 2.479 -11.548 -0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.767 -14.546 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.819 -15.318 -0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.811 -12.546 -2.488 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.410 -14.185 -2.211 1.00 0.00 H new ATOM 815 N SER A 51 4.568 -8.550 2.537 1.00 0.00 N ATOM 816 CA SER A 51 4.569 -7.149 2.147 1.00 0.00 C ATOM 817 C SER A 51 5.059 -6.996 0.713 1.00 0.00 C ATOM 818 O SER A 51 6.108 -7.524 0.343 1.00 0.00 O ATOM 819 CB SER A 51 5.452 -6.341 3.100 1.00 0.00 C ATOM 820 OG SER A 51 5.078 -6.572 4.450 1.00 0.00 O ATOM 0 H SER A 51 5.358 -9.088 2.182 1.00 0.00 H new ATOM 0 HA SER A 51 3.549 -6.769 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.497 -6.615 2.955 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.366 -5.279 2.871 1.00 0.00 H new ATOM 0 HG SER A 51 5.748 -6.179 5.047 1.00 0.00 H new ATOM 826 N ILE A 52 4.282 -6.296 -0.095 1.00 0.00 N ATOM 827 CA ILE A 52 4.668 -6.026 -1.469 1.00 0.00 C ATOM 828 C ILE A 52 5.082 -4.569 -1.595 1.00 0.00 C ATOM 829 O ILE A 52 4.370 -3.676 -1.142 1.00 0.00 O ATOM 830 CB ILE A 52 3.530 -6.326 -2.482 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.176 -7.819 -2.496 1.00 0.00 C ATOM 832 CG2 ILE A 52 3.922 -5.872 -3.883 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.242 -8.250 -1.384 1.00 0.00 C ATOM 0 H ILE A 52 3.380 -5.904 0.176 1.00 0.00 H new ATOM 0 HA ILE A 52 5.499 -6.689 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 52 2.650 -5.768 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.717 -8.062 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.096 -8.399 -2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.111 -6.092 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.114 -4.799 -3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.822 -6.400 -4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.044 -9.319 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.705 -8.042 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.304 -7.700 -1.463 1.00 0.00 H new ATOM 845 N CYS A 53 6.218 -4.327 -2.218 1.00 0.00 N ATOM 846 CA CYS A 53 6.722 -2.975 -2.346 1.00 0.00 C ATOM 847 C CYS A 53 6.447 -2.451 -3.744 1.00 0.00 C ATOM 848 O CYS A 53 6.885 -3.026 -4.739 1.00 0.00 O ATOM 849 CB CYS A 53 8.219 -2.942 -2.068 1.00 0.00 C ATOM 850 SG CYS A 53 8.718 -3.811 -0.551 1.00 0.00 S ATOM 0 H CYS A 53 6.807 -5.045 -2.641 1.00 0.00 H new ATOM 0 HA CYS A 53 6.214 -2.341 -1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.744 -3.384 -2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.541 -1.903 -2.000 1.00 0.00 H new ATOM 855 N ILE A 54 5.712 -1.364 -3.808 1.00 0.00 N ATOM 856 CA ILE A 54 5.321 -0.783 -5.070 1.00 0.00 C ATOM 857 C ILE A 54 6.100 0.496 -5.350 1.00 0.00 C ATOM 858 O ILE A 54 6.196 1.381 -4.500 1.00 0.00 O ATOM 859 CB ILE A 54 3.796 -0.508 -5.085 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.050 -1.711 -5.673 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.459 0.774 -5.829 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.559 -1.493 -5.806 1.00 0.00 C ATOM 0 H ILE A 54 5.370 -0.860 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 54 5.555 -1.496 -5.860 1.00 0.00 H new ATOM 0 HB ILE A 54 3.467 -0.366 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.464 -1.940 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.227 -2.582 -5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.380 0.929 -5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.953 1.616 -5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.802 0.697 -6.861 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.097 -2.385 -6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.131 -1.294 -4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.373 -0.643 -6.462 1.00 0.00 H new ATOM 874 N HIS A 55 6.687 0.568 -6.533 1.00 0.00 N ATOM 875 CA HIS A 55 7.283 1.804 -7.012 1.00 0.00 C ATOM 876 C HIS A 55 6.174 2.811 -7.282 1.00 0.00 C ATOM 877 O HIS A 55 5.191 2.473 -7.934 1.00 0.00 O ATOM 878 CB HIS A 55 8.092 1.547 -8.294 1.00 0.00 C ATOM 879 CG HIS A 55 8.510 2.799 -9.011 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.914 3.231 -10.175 1.00 0.00 N ATOM 881 CD2 HIS A 55 9.445 3.729 -8.706 1.00 0.00 C ATOM 882 CE1 HIS A 55 8.455 4.374 -10.547 1.00 0.00 C ATOM 883 NE2 HIS A 55 9.389 4.701 -9.675 1.00 0.00 N ATOM 0 H HIS A 55 6.764 -0.216 -7.180 1.00 0.00 H new ATOM 0 HA HIS A 55 7.962 2.199 -6.256 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.982 0.971 -8.041 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.497 0.934 -8.971 1.00 0.00 H new ATOM 0 HD2 HIS A 55 10.112 3.710 -7.857 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.179 4.947 -11.420 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.973 5.537 -9.714 1.00 0.00 H new ATOM 892 N PRO A 56 6.302 4.041 -6.768 1.00 0.00 N ATOM 893 CA PRO A 56 5.320 5.101 -7.019 1.00 0.00 C ATOM 894 C PRO A 56 5.002 5.239 -8.504 1.00 0.00 C ATOM 895 O PRO A 56 5.862 4.986 -9.344 1.00 0.00 O ATOM 896 CB PRO A 56 6.020 6.357 -6.501 1.00 0.00 C ATOM 897 CG PRO A 56 6.949 5.862 -5.448 1.00 0.00 C ATOM 898 CD PRO A 56 7.400 4.498 -5.895 1.00 0.00 C ATOM 0 HA PRO A 56 4.363 4.904 -6.536 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.560 6.867 -7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.304 7.071 -6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.799 6.534 -5.331 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.449 5.809 -4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.347 4.545 -6.432 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.546 3.826 -5.049 1.00 0.00 H new ATOM 906 N GLN A 57 3.767 5.637 -8.809 1.00 0.00 N ATOM 907 CA GLN A 57 3.271 5.733 -10.189 1.00 0.00 C ATOM 908 C GLN A 57 2.900 4.347 -10.719 1.00 0.00 C ATOM 909 O GLN A 57 2.810 4.130 -11.928 1.00 0.00 O ATOM 910 CB GLN A 57 4.285 6.420 -11.117 1.00 0.00 C ATOM 911 CG GLN A 57 4.605 7.851 -10.710 1.00 0.00 C ATOM 912 CD GLN A 57 5.717 8.462 -11.539 1.00 0.00 C ATOM 913 OE1 GLN A 57 5.471 9.066 -12.581 1.00 0.00 O ATOM 914 NE2 GLN A 57 6.951 8.322 -11.077 1.00 0.00 N ATOM 0 H GLN A 57 3.077 5.904 -8.106 1.00 0.00 H new ATOM 0 HA GLN A 57 2.376 6.355 -10.176 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.207 5.839 -11.129 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.894 6.418 -12.134 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.707 8.461 -10.808 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.890 7.870 -9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.116 7.814 -10.208 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.736 8.723 -11.590 1.00 0.00 H new ATOM 923 N ASN A 58 2.676 3.417 -9.796 1.00 0.00 N ATOM 924 CA ASN A 58 2.209 2.078 -10.143 1.00 0.00 C ATOM 925 C ASN A 58 0.691 2.029 -10.035 1.00 0.00 C ATOM 926 O ASN A 58 0.133 2.309 -8.970 1.00 0.00 O ATOM 927 CB ASN A 58 2.839 1.028 -9.219 1.00 0.00 C ATOM 928 CG ASN A 58 2.556 -0.396 -9.660 1.00 0.00 C ATOM 929 OD1 ASN A 58 3.263 -0.948 -10.496 1.00 0.00 O ATOM 930 ND2 ASN A 58 1.542 -1.012 -9.073 1.00 0.00 N ATOM 0 H ASN A 58 2.811 3.567 -8.796 1.00 0.00 H new ATOM 0 HA ASN A 58 2.508 1.853 -11.167 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.917 1.184 -9.183 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.462 1.170 -8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.326 -1.980 -9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.977 -0.519 -8.382 1.00 0.00 H new ATOM 937 N PRO A 59 0.008 1.669 -11.135 1.00 0.00 N ATOM 938 CA PRO A 59 -1.461 1.673 -11.212 1.00 0.00 C ATOM 939 C PRO A 59 -2.123 0.938 -10.051 1.00 0.00 C ATOM 940 O PRO A 59 -3.139 1.386 -9.520 1.00 0.00 O ATOM 941 CB PRO A 59 -1.748 0.941 -12.525 1.00 0.00 C ATOM 942 CG PRO A 59 -0.534 1.158 -13.357 1.00 0.00 C ATOM 943 CD PRO A 59 0.625 1.232 -12.403 1.00 0.00 C ATOM 0 HA PRO A 59 -1.858 2.687 -11.165 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.926 -0.121 -12.355 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.638 1.339 -13.013 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.400 0.343 -14.069 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.619 2.077 -13.937 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.118 0.266 -12.296 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.381 1.939 -12.745 1.00 0.00 H new ATOM 951 N SER A 60 -1.520 -0.173 -9.642 1.00 0.00 N ATOM 952 CA SER A 60 -2.086 -1.020 -8.602 1.00 0.00 C ATOM 953 C SER A 60 -2.184 -0.284 -7.268 1.00 0.00 C ATOM 954 O SER A 60 -3.005 -0.634 -6.430 1.00 0.00 O ATOM 955 CB SER A 60 -1.241 -2.284 -8.439 1.00 0.00 C ATOM 956 OG SER A 60 -1.889 -3.243 -7.623 1.00 0.00 O ATOM 0 H SER A 60 -0.633 -0.508 -10.019 1.00 0.00 H new ATOM 0 HA SER A 60 -3.096 -1.293 -8.908 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.039 -2.716 -9.419 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.277 -2.024 -8.001 1.00 0.00 H new ATOM 0 HG SER A 60 -1.270 -3.555 -6.930 1.00 0.00 H new ATOM 962 N LEU A 61 -1.359 0.741 -7.078 1.00 0.00 N ATOM 963 CA LEU A 61 -1.367 1.490 -5.827 1.00 0.00 C ATOM 964 C LEU A 61 -2.524 2.487 -5.837 1.00 0.00 C ATOM 965 O LEU A 61 -3.284 2.585 -4.872 1.00 0.00 O ATOM 966 CB LEU A 61 -0.026 2.212 -5.632 1.00 0.00 C ATOM 967 CG LEU A 61 0.381 2.489 -4.178 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.544 3.496 -3.525 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.407 1.198 -3.375 1.00 0.00 C ATOM 0 H LEU A 61 -0.683 1.069 -7.767 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.504 0.801 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.757 1.616 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.066 3.162 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 61 1.384 2.915 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.226 3.668 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.508 4.435 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.563 3.110 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.698 1.415 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.584 0.744 -3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.126 0.509 -3.818 1.00 0.00 H new ATOM 981 N SER A 62 -2.656 3.207 -6.945 1.00 0.00 N ATOM 982 CA SER A 62 -3.748 4.155 -7.129 1.00 0.00 C ATOM 983 C SER A 62 -5.083 3.420 -7.025 1.00 0.00 C ATOM 984 O SER A 62 -5.975 3.810 -6.259 1.00 0.00 O ATOM 985 CB SER A 62 -3.608 4.833 -8.499 1.00 0.00 C ATOM 986 OG SER A 62 -4.500 5.923 -8.646 1.00 0.00 O ATOM 0 H SER A 62 -2.014 3.151 -7.736 1.00 0.00 H new ATOM 0 HA SER A 62 -3.711 4.921 -6.354 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.584 5.183 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.796 4.102 -9.286 1.00 0.00 H new ATOM 0 HG SER A 62 -4.378 6.328 -9.530 1.00 0.00 H new ATOM 992 N GLN A 63 -5.184 2.321 -7.770 1.00 0.00 N ATOM 993 CA GLN A 63 -6.364 1.475 -7.742 1.00 0.00 C ATOM 994 C GLN A 63 -6.608 0.937 -6.337 1.00 0.00 C ATOM 995 O GLN A 63 -7.753 0.816 -5.908 1.00 0.00 O ATOM 996 CB GLN A 63 -6.223 0.312 -8.732 1.00 0.00 C ATOM 997 CG GLN A 63 -6.146 0.754 -10.188 1.00 0.00 C ATOM 998 CD GLN A 63 -5.897 -0.395 -11.156 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.275 -0.214 -12.205 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -6.390 -1.580 -10.825 1.00 0.00 N ATOM 0 H GLN A 63 -4.453 1.998 -8.404 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.219 2.083 -8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.326 -0.256 -8.486 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.071 -0.362 -8.610 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.077 1.252 -10.459 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.348 1.489 -10.295 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.900 -1.694 -9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.260 -2.378 -11.446 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.536 0.630 -5.612 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.675 0.079 -4.273 1.00 0.00 C ATOM 1011 C TRP A 64 -6.273 1.094 -3.318 1.00 0.00 C ATOM 1012 O TRP A 64 -7.122 0.748 -2.509 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.341 -0.449 -3.724 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.469 -1.025 -2.340 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.657 -0.786 -1.265 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.491 -1.918 -1.876 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.112 -1.477 -0.170 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.233 -2.175 -0.520 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.598 -2.528 -2.476 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.041 -3.007 0.244 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.398 -3.349 -1.716 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.117 -3.582 -0.372 1.00 0.00 C ATOM 0 H TRP A 64 -4.573 0.752 -5.927 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.359 -0.766 -4.353 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -3.953 -1.214 -4.397 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.613 0.362 -3.710 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -2.786 -0.147 -1.276 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.683 -1.470 0.755 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.821 -2.357 -3.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.827 -3.193 1.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.258 -3.820 -2.169 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.765 -4.232 0.197 1.00 0.00 H new ATOM 1033 N PHE A 65 -5.863 2.346 -3.423 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.398 3.377 -2.546 1.00 0.00 C ATOM 1035 C PHE A 65 -7.911 3.488 -2.690 1.00 0.00 C ATOM 1036 O PHE A 65 -8.617 3.735 -1.710 1.00 0.00 O ATOM 1037 CB PHE A 65 -5.730 4.722 -2.806 1.00 0.00 C ATOM 1038 CG PHE A 65 -4.663 5.048 -1.802 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -3.495 4.304 -1.742 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.828 6.099 -0.917 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -2.513 4.605 -0.817 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.850 6.404 0.010 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.691 5.656 0.060 1.00 0.00 C ATOM 0 H PHE A 65 -5.170 2.672 -4.097 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.177 3.085 -1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.293 4.718 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.487 5.506 -2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.351 3.480 -2.425 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.733 6.688 -0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.607 4.018 -0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.992 7.227 0.695 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.925 5.893 0.784 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.408 3.287 -3.903 1.00 0.00 N ATOM 1054 CA GLU A 66 -9.846 3.288 -4.132 1.00 0.00 C ATOM 1055 C GLU A 66 -10.458 1.947 -3.717 1.00 0.00 C ATOM 1056 O GLU A 66 -11.519 1.898 -3.088 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.153 3.590 -5.598 1.00 0.00 C ATOM 1058 CG GLU A 66 -9.567 4.909 -6.074 1.00 0.00 C ATOM 1059 CD GLU A 66 -9.987 5.253 -7.486 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -10.223 4.321 -8.285 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -10.090 6.454 -7.804 1.00 0.00 O ATOM 0 H GLU A 66 -7.843 3.123 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.292 4.071 -3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.763 2.782 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.234 3.608 -5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.881 5.706 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.479 4.859 -6.024 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.770 0.860 -4.049 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.244 -0.478 -3.705 1.00 0.00 C ATOM 1070 C HIS A 67 -10.351 -0.655 -2.196 1.00 0.00 C ATOM 1071 O HIS A 67 -11.362 -1.139 -1.708 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.335 -1.566 -4.287 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.590 -1.871 -5.732 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.586 -3.154 -6.246 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -9.829 -1.052 -6.781 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.810 -3.102 -7.546 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -9.961 -1.841 -7.893 1.00 0.00 N ATOM 0 H HIS A 67 -8.884 0.878 -4.555 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.236 -0.583 -4.144 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.296 -1.257 -4.170 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.463 -2.480 -3.706 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.434 -4.006 -5.706 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.902 0.025 -6.748 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.861 -3.950 -8.212 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.314 -0.250 -1.463 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.300 -0.397 -0.009 1.00 0.00 C ATOM 1088 C GLN A 68 -10.349 0.499 0.629 1.00 0.00 C ATOM 1089 O GLN A 68 -10.848 0.204 1.714 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.921 -0.077 0.577 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.518 1.385 0.457 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.205 1.685 1.146 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.847 1.048 2.132 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -5.476 2.663 0.630 1.00 0.00 N ATOM 0 H GLN A 68 -8.475 0.181 -1.852 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.532 -1.438 0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.911 -0.360 1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.173 -0.691 0.075 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.440 1.651 -0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.301 2.010 0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.809 3.169 -0.191 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.582 2.910 1.053 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.689 1.587 -0.057 1.00 0.00 N ATOM 1104 CA GLU A 69 -11.736 2.482 0.427 1.00 0.00 C ATOM 1105 C GLU A 69 -13.052 1.717 0.546 1.00 0.00 C ATOM 1106 O GLU A 69 -13.869 1.976 1.433 1.00 0.00 O ATOM 1107 CB GLU A 69 -11.898 3.681 -0.514 1.00 0.00 C ATOM 1108 CG GLU A 69 -12.854 4.747 0.002 1.00 0.00 C ATOM 1109 CD GLU A 69 -12.368 5.393 1.286 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -11.513 6.297 1.211 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -12.846 5.005 2.372 1.00 0.00 O ATOM 0 H GLU A 69 -10.261 1.868 -0.939 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.452 2.858 1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.921 4.134 -0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.254 3.326 -1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.982 5.515 -0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.833 4.300 0.172 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.246 0.764 -0.352 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.431 -0.083 -0.319 1.00 0.00 C ATOM 1120 C ARG A 70 -14.055 -1.539 -0.024 1.00 0.00 C ATOM 1121 O ARG A 70 -14.720 -2.471 -0.477 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.193 0.043 -1.641 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.375 -0.315 -2.868 1.00 0.00 C ATOM 1124 CD ARG A 70 -15.042 0.189 -4.135 1.00 0.00 C ATOM 1125 NE ARG A 70 -14.338 -0.241 -5.339 1.00 0.00 N ATOM 1126 CZ ARG A 70 -13.653 0.579 -6.140 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -13.533 1.865 -5.847 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -13.074 0.111 -7.233 1.00 0.00 N ATOM 0 H ARG A 70 -12.599 0.557 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.084 0.250 0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.072 -0.601 -1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.552 1.067 -1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.377 0.116 -2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.251 -1.397 -2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -16.070 -0.171 -4.170 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.086 1.278 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.371 -1.231 -5.584 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.966 2.238 -5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.007 2.482 -6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.150 -0.879 -7.466 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.552 0.740 -7.843 1.00 0.00 H new ATOM 1142 N LYS A 71 -12.999 -1.725 0.763 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.510 -3.058 1.113 1.00 0.00 C ATOM 1144 C LYS A 71 -11.952 -3.029 2.535 1.00 0.00 C ATOM 1145 O LYS A 71 -12.170 -2.046 3.246 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.436 -3.489 0.113 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.429 -4.979 -0.199 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.427 -5.304 -1.296 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.833 -4.704 -2.634 1.00 0.00 C ATOM 1150 NZ LYS A 71 -11.897 -5.491 -3.306 1.00 0.00 N ATOM 0 H LYS A 71 -12.460 -0.963 1.174 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.326 -3.780 1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.579 -2.936 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.458 -3.208 0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.182 -5.541 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.426 -5.294 -0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.444 -4.927 -1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.337 -6.386 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.182 -3.683 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.960 -4.648 -3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.247 -4.967 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.510 -6.406 -3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.681 -5.653 -2.642 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.212 -4.076 2.940 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.703 -4.185 4.315 1.00 0.00 C ATOM 1166 C LEU A 72 -11.817 -4.112 5.364 1.00 0.00 C ATOM 1167 O LEU A 72 -12.341 -5.136 5.805 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.674 -3.086 4.598 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.229 -3.402 4.216 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.139 -3.965 2.808 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -7.381 -2.147 4.338 1.00 0.00 C ATOM 0 H LEU A 72 -10.955 -4.856 2.335 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.234 -5.166 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.980 -2.185 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.704 -2.854 5.663 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.852 -4.162 4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.098 -4.179 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.722 -4.884 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.533 -3.237 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.351 -2.376 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.771 -1.378 3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.412 -1.785 5.366 1.00 0.00 H new