USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 552 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 60 CYS SG : rot 120:sc= -0.28 USER MOD Set 1.2: A 65 CYS SG : rot 149:sc= -1.31 USER MOD Set 1.3: A 81 HIS : no HE2:sc= -2.57 K(o=-7,f=-7.9!) USER MOD Set 1.4: A 85 HIS : no HD1:sc= -2.82 K(o=-7,f=-13!) USER MOD Set 2.1: A 16 CYS SG : rot 50:sc= -0.511 USER MOD Set 2.2: A 31 CYS SG : rot -139:sc= -0.646 USER MOD Set 2.3: A 44 HIS : no HD1:sc= -5.32 K(o=-17,f=-18!) USER MOD Set 2.4: A 49 HIS : no HD1:sc= -10.4! C(o=-17!,f=-20!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.583 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.1 USER MOD Single : A 34 THR OG1 : rot 41:sc= 0.0322 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -2.64! USER MOD Single : A 38 MET CE :methyl -178:sc= -3.74! (180deg=-3.83!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 94:sc= 1.3 USER MOD Single : A 47 MET CE :methyl 162:sc= -0.118 (180deg=-0.644) USER MOD Single : A 55 GLN : amide:sc= -1.55 K(o=-1.6,f=-2.2) USER MOD Single : A 56 ASN : amide:sc= -0.874 X(o=-0.87,f=-0.75) USER MOD Single : A 57 ASN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 58 HIS : no HE2:sc= -8.24! C(o=-8.2!,f=-8.6!) USER MOD Single : A 61 TYR OH : rot 1:sc= -0.32 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 85:sc= -0.581! USER MOD Single : A 73 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0638) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.022) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.446 K(o=-0.45,f=-1.4) USER MOD Single : A 86 THR OG1 : rot -15:sc= 0.545 USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 13 -13.595 9.089 1.285 1.00 0.00 N ATOM 156 CA GLU A 13 -13.213 7.712 1.578 1.00 0.00 C ATOM 157 C GLU A 13 -12.193 7.203 0.563 1.00 0.00 C ATOM 158 O GLU A 13 -12.557 6.707 -0.505 1.00 0.00 O ATOM 159 CB GLU A 13 -14.446 6.806 1.576 1.00 0.00 C ATOM 160 CG GLU A 13 -15.418 7.102 0.447 1.00 0.00 C ATOM 161 CD GLU A 13 -16.500 6.048 0.317 1.00 0.00 C ATOM 162 OE1 GLU A 13 -16.280 5.059 -0.413 1.00 0.00 O ATOM 163 OE2 GLU A 13 -17.566 6.212 0.946 1.00 0.00 O ATOM 0 HA GLU A 13 -12.757 7.691 2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.123 5.768 1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.966 6.912 2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.881 8.074 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.868 7.171 -0.492 1.00 0.00 H new ATOM 170 N LEU A 14 -10.915 7.330 0.903 1.00 0.00 N ATOM 171 CA LEU A 14 -9.841 6.884 0.022 1.00 0.00 C ATOM 172 C LEU A 14 -10.025 5.419 -0.362 1.00 0.00 C ATOM 173 O LEU A 14 -9.943 5.060 -1.536 1.00 0.00 O ATOM 174 CB LEU A 14 -8.484 7.079 0.701 1.00 0.00 C ATOM 175 CG LEU A 14 -8.159 8.502 1.155 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.109 8.485 2.255 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.687 9.342 -0.023 1.00 0.00 C ATOM 0 H LEU A 14 -10.597 7.738 1.782 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.876 7.486 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.437 6.422 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.705 6.752 0.012 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.067 8.952 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.891 9.507 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.484 7.919 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.198 8.017 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.460 10.352 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.791 8.894 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.471 9.382 -0.779 1.00 0.00 H new ATOM 189 N SER A 15 -10.276 4.578 0.637 1.00 0.00 N ATOM 190 CA SER A 15 -10.470 3.152 0.404 1.00 0.00 C ATOM 191 C SER A 15 -9.135 2.453 0.166 1.00 0.00 C ATOM 192 O SER A 15 -8.160 3.078 -0.252 1.00 0.00 O ATOM 193 CB SER A 15 -11.395 2.930 -0.795 1.00 0.00 C ATOM 194 OG SER A 15 -12.326 3.991 -0.923 1.00 0.00 O ATOM 0 H SER A 15 -10.350 4.860 1.615 1.00 0.00 H new ATOM 0 HA SER A 15 -10.931 2.724 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.802 2.850 -1.706 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.928 1.986 -0.678 1.00 0.00 H new ATOM 0 HG SER A 15 -12.904 3.827 -1.697 1.00 0.00 H new ATOM 200 N CYS A 16 -9.098 1.153 0.436 1.00 0.00 N ATOM 201 CA CYS A 16 -7.884 0.367 0.253 1.00 0.00 C ATOM 202 C CYS A 16 -8.164 -0.880 -0.582 1.00 0.00 C ATOM 203 O CYS A 16 -8.510 -1.934 -0.047 1.00 0.00 O ATOM 204 CB CYS A 16 -7.301 -0.034 1.609 1.00 0.00 C ATOM 205 SG CYS A 16 -6.038 -1.343 1.518 1.00 0.00 S ATOM 0 H CYS A 16 -9.896 0.621 0.783 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.159 0.983 -0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.863 0.847 2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.111 -0.370 2.256 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.153 -1.031 0.618 1.00 0.00 H new ATOM 210 N LYS A 17 -8.011 -0.752 -1.895 1.00 0.00 N ATOM 211 CA LYS A 17 -8.245 -1.867 -2.805 1.00 0.00 C ATOM 212 C LYS A 17 -7.086 -2.858 -2.760 1.00 0.00 C ATOM 213 O LYS A 17 -6.433 -3.110 -3.773 1.00 0.00 O ATOM 214 CB LYS A 17 -8.437 -1.355 -4.234 1.00 0.00 C ATOM 215 CG LYS A 17 -9.583 -0.369 -4.378 1.00 0.00 C ATOM 216 CD LYS A 17 -10.929 -1.074 -4.367 1.00 0.00 C ATOM 217 CE LYS A 17 -12.073 -0.096 -4.587 1.00 0.00 C ATOM 218 NZ LYS A 17 -13.355 -0.607 -4.029 1.00 0.00 N ATOM 0 H LYS A 17 -7.726 0.113 -2.353 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.152 -2.380 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.515 -0.879 -4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.614 -2.204 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.544 0.356 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.470 0.188 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.947 -1.838 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.065 -1.586 -3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.829 0.859 -4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.191 0.091 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.109 0.088 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.601 -1.505 -4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.251 -0.761 -3.006 1.00 0.00 H new ATOM 232 N TRP A 18 -6.838 -3.418 -1.582 1.00 0.00 N ATOM 233 CA TRP A 18 -5.758 -4.383 -1.407 1.00 0.00 C ATOM 234 C TRP A 18 -6.298 -5.809 -1.400 1.00 0.00 C ATOM 235 O TRP A 18 -6.702 -6.324 -0.358 1.00 0.00 O ATOM 236 CB TRP A 18 -5.004 -4.104 -0.106 1.00 0.00 C ATOM 237 CG TRP A 18 -3.898 -5.081 0.161 1.00 0.00 C ATOM 238 CD1 TRP A 18 -4.020 -6.329 0.700 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.503 -4.888 -0.098 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.785 -6.924 0.792 1.00 0.00 N ATOM 241 CE2 TRP A 18 -1.838 -6.061 0.308 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.752 -3.839 -0.636 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.459 -6.212 0.194 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.383 -3.990 -0.748 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.252 -5.169 -0.336 1.00 0.00 C ATOM 0 H TRP A 18 -7.369 -3.221 -0.734 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.071 -4.279 -2.247 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.588 -3.097 -0.144 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.708 -4.127 0.726 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.950 -6.782 1.009 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.603 -7.857 1.161 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.233 -2.927 -0.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.033 -7.119 0.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.208 -3.185 -1.160 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.324 -5.257 -0.439 1.00 0.00 H new ATOM 256 N ILE A 19 -6.301 -6.440 -2.569 1.00 0.00 N ATOM 257 CA ILE A 19 -6.791 -7.808 -2.696 1.00 0.00 C ATOM 258 C ILE A 19 -5.697 -8.816 -2.362 1.00 0.00 C ATOM 259 O ILE A 19 -4.912 -9.206 -3.227 1.00 0.00 O ATOM 260 CB ILE A 19 -7.315 -8.088 -4.117 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.325 -7.016 -4.533 1.00 0.00 C ATOM 262 CG2 ILE A 19 -7.944 -9.471 -4.186 1.00 0.00 C ATOM 263 CD1 ILE A 19 -8.121 -6.509 -5.943 1.00 0.00 C ATOM 0 H ILE A 19 -5.970 -6.027 -3.441 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.612 -7.917 -1.987 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.475 -8.057 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.332 -7.423 -4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.258 -6.177 -3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.310 -9.654 -5.196 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.198 -10.223 -3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.775 -9.528 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.872 -5.752 -6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.127 -6.072 -6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.217 -7.337 -6.645 1.00 0.00 H new ATOM 275 N ASP A 20 -5.653 -9.237 -1.103 1.00 0.00 N ATOM 276 CA ASP A 20 -4.657 -10.203 -0.654 1.00 0.00 C ATOM 277 C ASP A 20 -4.830 -11.536 -1.376 1.00 0.00 C ATOM 278 O ASP A 20 -5.692 -11.676 -2.242 1.00 0.00 O ATOM 279 CB ASP A 20 -4.762 -10.411 0.858 1.00 0.00 C ATOM 280 CG ASP A 20 -3.409 -10.620 1.509 1.00 0.00 C ATOM 281 OD1 ASP A 20 -2.455 -10.985 0.790 1.00 0.00 O ATOM 282 OD2 ASP A 20 -3.305 -10.419 2.737 1.00 0.00 O ATOM 0 H ASP A 20 -6.295 -8.925 -0.375 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.670 -9.807 -0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.249 -9.546 1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.396 -11.274 1.060 1.00 0.00 H new ATOM 287 N GLU A 21 -4.003 -12.511 -1.012 1.00 0.00 N ATOM 288 CA GLU A 21 -4.063 -13.832 -1.627 1.00 0.00 C ATOM 289 C GLU A 21 -4.152 -14.924 -0.565 1.00 0.00 C ATOM 290 O GLU A 21 -3.437 -14.889 0.437 1.00 0.00 O ATOM 291 CB GLU A 21 -2.836 -14.064 -2.511 1.00 0.00 C ATOM 292 CG GLU A 21 -2.844 -15.406 -3.224 1.00 0.00 C ATOM 293 CD GLU A 21 -1.450 -15.964 -3.434 1.00 0.00 C ATOM 294 OE1 GLU A 21 -0.700 -15.393 -4.253 1.00 0.00 O ATOM 295 OE2 GLU A 21 -1.108 -16.970 -2.779 1.00 0.00 O ATOM 0 H GLU A 21 -3.284 -12.411 -0.295 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.960 -13.876 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.778 -13.268 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.938 -13.994 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.432 -16.117 -2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.337 -15.297 -4.190 1.00 0.00 H new ATOM 383 N PRO A 27 -14.324 -15.513 -1.427 1.00 0.00 N ATOM 384 CA PRO A 27 -13.189 -15.476 -2.354 1.00 0.00 C ATOM 385 C PRO A 27 -12.359 -14.205 -2.203 1.00 0.00 C ATOM 386 O PRO A 27 -12.794 -13.238 -1.578 1.00 0.00 O ATOM 387 CB PRO A 27 -13.854 -15.520 -3.732 1.00 0.00 C ATOM 388 CG PRO A 27 -15.216 -14.957 -3.513 1.00 0.00 C ATOM 389 CD PRO A 27 -15.614 -15.365 -2.121 1.00 0.00 C ATOM 0 HA PRO A 27 -12.491 -16.294 -2.177 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.295 -14.932 -4.460 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.904 -16.539 -4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.211 -13.872 -3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.921 -15.343 -4.249 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.242 -14.612 -1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -16.179 -16.297 -2.122 1.00 0.00 H new ATOM 397 N LYS A 28 -11.162 -14.214 -2.780 1.00 0.00 N ATOM 398 CA LYS A 28 -10.271 -13.062 -2.712 1.00 0.00 C ATOM 399 C LYS A 28 -11.041 -11.765 -2.939 1.00 0.00 C ATOM 400 O LYS A 28 -11.227 -11.333 -4.077 1.00 0.00 O ATOM 401 CB LYS A 28 -9.154 -13.194 -3.750 1.00 0.00 C ATOM 402 CG LYS A 28 -8.302 -14.438 -3.572 1.00 0.00 C ATOM 403 CD LYS A 28 -7.222 -14.531 -4.637 1.00 0.00 C ATOM 404 CE LYS A 28 -7.488 -15.675 -5.603 1.00 0.00 C ATOM 405 NZ LYS A 28 -8.561 -15.338 -6.579 1.00 0.00 N ATOM 0 H LYS A 28 -10.787 -15.007 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.831 -13.032 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.595 -13.206 -4.747 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.513 -12.314 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.841 -14.426 -2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.936 -15.324 -3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.172 -13.592 -5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.252 -14.674 -4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.571 -15.917 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.773 -16.565 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.713 -16.143 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.443 -15.131 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.278 -14.504 -7.132 1.00 0.00 H new ATOM 419 N LYS A 29 -11.484 -11.147 -1.850 1.00 0.00 N ATOM 420 CA LYS A 29 -12.231 -9.897 -1.929 1.00 0.00 C ATOM 421 C LYS A 29 -11.326 -8.703 -1.644 1.00 0.00 C ATOM 422 O LYS A 29 -10.294 -8.838 -0.986 1.00 0.00 O ATOM 423 CB LYS A 29 -13.399 -9.914 -0.940 1.00 0.00 C ATOM 424 CG LYS A 29 -12.969 -10.083 0.506 1.00 0.00 C ATOM 425 CD LYS A 29 -12.764 -8.740 1.188 1.00 0.00 C ATOM 426 CE LYS A 29 -14.050 -7.927 1.214 1.00 0.00 C ATOM 427 NZ LYS A 29 -14.292 -7.316 2.550 1.00 0.00 N ATOM 0 H LYS A 29 -11.339 -11.492 -0.901 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.622 -9.800 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.960 -8.984 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.077 -10.725 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.723 -10.655 1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.044 -10.658 0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.411 -8.898 2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.988 -8.180 0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.999 -7.142 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.891 -8.569 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.177 -6.770 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.366 -8.066 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.502 -6.684 2.791 1.00 0.00 H new ATOM 441 N SER A 30 -11.720 -7.535 -2.141 1.00 0.00 N ATOM 442 CA SER A 30 -10.943 -6.318 -1.941 1.00 0.00 C ATOM 443 C SER A 30 -10.994 -5.875 -0.482 1.00 0.00 C ATOM 444 O SER A 30 -12.071 -5.701 0.089 1.00 0.00 O ATOM 445 CB SER A 30 -11.466 -5.200 -2.844 1.00 0.00 C ATOM 446 OG SER A 30 -12.822 -5.417 -3.192 1.00 0.00 O ATOM 0 H SER A 30 -12.573 -7.406 -2.685 1.00 0.00 H new ATOM 0 HA SER A 30 -9.906 -6.531 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.367 -4.241 -2.335 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.860 -5.145 -3.748 1.00 0.00 H new ATOM 0 HG SER A 30 -13.133 -4.688 -3.768 1.00 0.00 H new ATOM 452 N CYS A 31 -9.821 -5.693 0.116 1.00 0.00 N ATOM 453 CA CYS A 31 -9.729 -5.271 1.508 1.00 0.00 C ATOM 454 C CYS A 31 -10.803 -4.237 1.835 1.00 0.00 C ATOM 455 O CYS A 31 -11.251 -4.132 2.977 1.00 0.00 O ATOM 456 CB CYS A 31 -8.343 -4.691 1.797 1.00 0.00 C ATOM 457 SG CYS A 31 -8.298 -3.537 3.206 1.00 0.00 S ATOM 0 H CYS A 31 -8.921 -5.831 -0.343 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.888 -6.146 2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.651 -5.511 1.990 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.984 -4.175 0.907 1.00 0.00 H new ATOM 0 HG CYS A 31 -7.528 -2.530 2.918 1.00 0.00 H new ATOM 462 N ASP A 32 -11.211 -3.477 0.825 1.00 0.00 N ATOM 463 CA ASP A 32 -12.233 -2.452 1.003 1.00 0.00 C ATOM 464 C ASP A 32 -11.768 -1.387 1.992 1.00 0.00 C ATOM 465 O ASP A 32 -11.092 -0.429 1.616 1.00 0.00 O ATOM 466 CB ASP A 32 -13.538 -3.083 1.491 1.00 0.00 C ATOM 467 CG ASP A 32 -14.376 -3.632 0.353 1.00 0.00 C ATOM 468 OD1 ASP A 32 -14.918 -2.823 -0.429 1.00 0.00 O ATOM 469 OD2 ASP A 32 -14.490 -4.871 0.243 1.00 0.00 O ATOM 0 H ASP A 32 -10.850 -3.551 -0.126 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.407 -1.975 0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.310 -3.887 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.116 -2.338 2.038 1.00 0.00 H new ATOM 474 N ARG A 33 -12.136 -1.561 3.257 1.00 0.00 N ATOM 475 CA ARG A 33 -11.759 -0.614 4.299 1.00 0.00 C ATOM 476 C ARG A 33 -12.244 0.792 3.958 1.00 0.00 C ATOM 477 O ARG A 33 -12.919 1.001 2.949 1.00 0.00 O ATOM 478 CB ARG A 33 -10.241 -0.609 4.489 1.00 0.00 C ATOM 479 CG ARG A 33 -9.740 -1.700 5.422 1.00 0.00 C ATOM 480 CD ARG A 33 -10.042 -1.371 6.876 1.00 0.00 C ATOM 481 NE ARG A 33 -11.165 -2.148 7.392 1.00 0.00 N ATOM 482 CZ ARG A 33 -11.526 -2.159 8.670 1.00 0.00 C ATOM 483 NH1 ARG A 33 -10.856 -1.437 9.558 1.00 0.00 N ATOM 484 NH2 ARG A 33 -12.559 -2.892 9.063 1.00 0.00 N ATOM 0 H ARG A 33 -12.695 -2.349 3.585 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.234 -0.928 5.229 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.761 -0.725 3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.936 0.361 4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.207 -2.649 5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.665 -1.826 5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.158 -1.566 7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.264 -0.308 6.968 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.702 -2.714 6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.061 -0.871 9.260 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.135 -1.447 10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.077 -3.448 8.383 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.835 -2.899 10.045 1.00 0.00 H new ATOM 498 N THR A 34 -11.895 1.755 4.805 1.00 0.00 N ATOM 499 CA THR A 34 -12.295 3.141 4.595 1.00 0.00 C ATOM 500 C THR A 34 -11.448 4.091 5.433 1.00 0.00 C ATOM 501 O THR A 34 -11.306 3.910 6.642 1.00 0.00 O ATOM 502 CB THR A 34 -13.781 3.355 4.941 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.072 2.788 6.223 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.679 2.725 3.887 1.00 0.00 C ATOM 0 H THR A 34 -11.336 1.600 5.644 1.00 0.00 H new ATOM 0 HA THR A 34 -12.140 3.358 3.538 1.00 0.00 H new ATOM 0 HB THR A 34 -13.974 4.427 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.339 2.986 6.842 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.723 2.889 4.153 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.476 3.179 2.917 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.482 1.654 3.834 1.00 0.00 H new ATOM 512 N PHE A 35 -10.887 5.106 4.783 1.00 0.00 N ATOM 513 CA PHE A 35 -10.053 6.086 5.469 1.00 0.00 C ATOM 514 C PHE A 35 -10.444 7.506 5.071 1.00 0.00 C ATOM 515 O PHE A 35 -11.014 7.729 4.003 1.00 0.00 O ATOM 516 CB PHE A 35 -8.577 5.843 5.150 1.00 0.00 C ATOM 517 CG PHE A 35 -8.200 4.389 5.124 1.00 0.00 C ATOM 518 CD1 PHE A 35 -8.607 3.572 4.082 1.00 0.00 C ATOM 519 CD2 PHE A 35 -7.440 3.839 6.144 1.00 0.00 C ATOM 520 CE1 PHE A 35 -8.262 2.234 4.055 1.00 0.00 C ATOM 521 CE2 PHE A 35 -7.091 2.502 6.122 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.504 1.698 5.078 1.00 0.00 C ATOM 0 H PHE A 35 -10.995 5.271 3.782 1.00 0.00 H new ATOM 0 HA PHE A 35 -10.209 5.972 6.542 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.345 6.288 4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.964 6.356 5.891 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -9.201 3.986 3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.117 4.462 6.965 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.584 1.609 3.236 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.495 2.086 6.921 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.235 0.652 5.061 1.00 0.00 H new ATOM 532 N SER A 36 -10.134 8.464 5.939 1.00 0.00 N ATOM 533 CA SER A 36 -10.456 9.863 5.682 1.00 0.00 C ATOM 534 C SER A 36 -9.199 10.654 5.334 1.00 0.00 C ATOM 535 O SER A 36 -9.253 11.633 4.588 1.00 0.00 O ATOM 536 CB SER A 36 -11.142 10.482 6.900 1.00 0.00 C ATOM 537 OG SER A 36 -12.514 10.131 6.947 1.00 0.00 O ATOM 0 H SER A 36 -9.660 8.297 6.827 1.00 0.00 H new ATOM 0 HA SER A 36 -11.137 9.904 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.646 10.145 7.810 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.042 11.567 6.865 1.00 0.00 H new ATOM 0 HG SER A 36 -12.929 10.538 7.736 1.00 0.00 H new ATOM 543 N THR A 37 -8.066 10.225 5.881 1.00 0.00 N ATOM 544 CA THR A 37 -6.795 10.893 5.631 1.00 0.00 C ATOM 545 C THR A 37 -5.873 10.021 4.787 1.00 0.00 C ATOM 546 O THR A 37 -5.874 8.797 4.912 1.00 0.00 O ATOM 547 CB THR A 37 -6.081 11.251 6.948 1.00 0.00 C ATOM 548 OG1 THR A 37 -5.443 10.090 7.491 1.00 0.00 O ATOM 549 CG2 THR A 37 -7.065 11.817 7.961 1.00 0.00 C ATOM 0 H THR A 37 -8.003 9.417 6.501 1.00 0.00 H new ATOM 0 HA THR A 37 -7.021 11.810 5.087 1.00 0.00 H new ATOM 0 HB THR A 37 -5.329 12.010 6.733 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.990 10.327 8.327 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.538 12.062 8.883 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.526 12.718 7.556 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.837 11.077 8.171 1.00 0.00 H new ATOM 557 N MET A 38 -5.085 10.660 3.928 1.00 0.00 N ATOM 558 CA MET A 38 -4.156 9.942 3.064 1.00 0.00 C ATOM 559 C MET A 38 -3.053 9.279 3.884 1.00 0.00 C ATOM 560 O MET A 38 -2.469 8.280 3.463 1.00 0.00 O ATOM 561 CB MET A 38 -3.541 10.894 2.036 1.00 0.00 C ATOM 562 CG MET A 38 -3.212 10.227 0.710 1.00 0.00 C ATOM 563 SD MET A 38 -4.557 10.356 -0.484 1.00 0.00 S ATOM 564 CE MET A 38 -4.545 8.709 -1.186 1.00 0.00 C ATOM 0 H MET A 38 -5.072 11.673 3.812 1.00 0.00 H new ATOM 0 HA MET A 38 -4.713 9.165 2.541 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.232 11.718 1.857 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.631 11.326 2.452 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.315 10.682 0.291 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.985 9.175 0.883 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.301 8.642 -1.969 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.563 8.502 -1.611 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.764 7.980 -0.406 1.00 0.00 H new ATOM 574 N HIS A 39 -2.773 9.842 5.055 1.00 0.00 N ATOM 575 CA HIS A 39 -1.740 9.304 5.934 1.00 0.00 C ATOM 576 C HIS A 39 -2.118 7.911 6.427 1.00 0.00 C ATOM 577 O HIS A 39 -1.273 7.020 6.503 1.00 0.00 O ATOM 578 CB HIS A 39 -1.518 10.237 7.124 1.00 0.00 C ATOM 579 CG HIS A 39 -0.181 10.068 7.777 1.00 0.00 C ATOM 580 ND1 HIS A 39 -0.024 9.569 9.053 1.00 0.00 N ATOM 581 CD2 HIS A 39 1.066 10.332 7.322 1.00 0.00 C ATOM 582 CE1 HIS A 39 1.261 9.536 9.356 1.00 0.00 C ATOM 583 NE2 HIS A 39 1.945 9.993 8.322 1.00 0.00 N ATOM 0 H HIS A 39 -3.246 10.670 5.417 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.814 9.229 5.364 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.622 11.269 6.790 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.299 10.061 7.864 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.322 10.734 6.353 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.681 9.194 10.290 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.960 10.080 8.274 1.00 0.00 H new ATOM 591 N GLU A 40 -3.392 7.732 6.763 1.00 0.00 N ATOM 592 CA GLU A 40 -3.879 6.447 7.251 1.00 0.00 C ATOM 593 C GLU A 40 -3.701 5.361 6.194 1.00 0.00 C ATOM 594 O GLU A 40 -3.068 4.334 6.443 1.00 0.00 O ATOM 595 CB GLU A 40 -5.353 6.553 7.646 1.00 0.00 C ATOM 596 CG GLU A 40 -5.638 7.664 8.643 1.00 0.00 C ATOM 597 CD GLU A 40 -5.960 7.138 10.028 1.00 0.00 C ATOM 598 OE1 GLU A 40 -5.043 6.604 10.687 1.00 0.00 O ATOM 599 OE2 GLU A 40 -7.128 7.258 10.452 1.00 0.00 O ATOM 0 H GLU A 40 -4.104 8.460 6.706 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.293 6.174 8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.950 6.719 6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.676 5.603 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.773 8.325 8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.474 8.264 8.283 1.00 0.00 H new ATOM 606 N LEU A 41 -4.264 5.595 5.014 1.00 0.00 N ATOM 607 CA LEU A 41 -4.169 4.637 3.918 1.00 0.00 C ATOM 608 C LEU A 41 -2.739 4.132 3.758 1.00 0.00 C ATOM 609 O LEU A 41 -2.479 2.932 3.843 1.00 0.00 O ATOM 610 CB LEU A 41 -4.646 5.276 2.612 1.00 0.00 C ATOM 611 CG LEU A 41 -4.797 4.333 1.419 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.324 2.980 1.871 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.718 4.942 0.371 1.00 0.00 C ATOM 0 H LEU A 41 -4.791 6.440 4.791 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.810 3.788 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.608 5.754 2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.945 6.065 2.340 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.815 4.186 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.425 2.322 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.628 2.538 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.297 3.108 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.814 4.257 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.700 5.119 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.300 5.887 0.024 1.00 0.00 H new ATOM 625 N VAL A 42 -1.813 5.058 3.527 1.00 0.00 N ATOM 626 CA VAL A 42 -0.407 4.708 3.358 1.00 0.00 C ATOM 627 C VAL A 42 0.108 3.914 4.553 1.00 0.00 C ATOM 628 O VAL A 42 0.837 2.934 4.395 1.00 0.00 O ATOM 629 CB VAL A 42 0.465 5.964 3.175 1.00 0.00 C ATOM 630 CG1 VAL A 42 1.935 5.583 3.083 1.00 0.00 C ATOM 631 CG2 VAL A 42 0.029 6.740 1.941 1.00 0.00 C ATOM 0 H VAL A 42 -2.011 6.056 3.453 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.338 4.093 2.460 1.00 0.00 H new ATOM 0 HB VAL A 42 0.334 6.607 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.537 6.483 2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.237 5.073 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.086 4.920 2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.656 7.624 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.130 6.108 1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.012 7.045 2.052 1.00 0.00 H new ATOM 641 N THR A 43 -0.275 4.343 5.752 1.00 0.00 N ATOM 642 CA THR A 43 0.149 3.673 6.975 1.00 0.00 C ATOM 643 C THR A 43 -0.607 2.364 7.175 1.00 0.00 C ATOM 644 O THR A 43 -0.187 1.505 7.951 1.00 0.00 O ATOM 645 CB THR A 43 -0.064 4.570 8.209 1.00 0.00 C ATOM 646 OG1 THR A 43 1.121 5.329 8.473 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.419 3.734 9.430 1.00 0.00 C ATOM 0 H THR A 43 -0.878 5.152 5.902 1.00 0.00 H new ATOM 0 HA THR A 43 1.213 3.462 6.868 1.00 0.00 H new ATOM 0 HB THR A 43 -0.891 5.249 8.000 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.977 5.898 9.258 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.565 4.389 10.289 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.337 3.179 9.237 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.390 3.035 9.640 1.00 0.00 H new ATOM 655 N HIS A 44 -1.725 2.218 6.470 1.00 0.00 N ATOM 656 CA HIS A 44 -2.539 1.012 6.570 1.00 0.00 C ATOM 657 C HIS A 44 -1.905 -0.138 5.794 1.00 0.00 C ATOM 658 O HIS A 44 -1.488 -1.139 6.378 1.00 0.00 O ATOM 659 CB HIS A 44 -3.950 1.280 6.046 1.00 0.00 C ATOM 660 CG HIS A 44 -4.759 0.036 5.842 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.798 -0.331 6.671 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.678 -0.928 4.895 1.00 0.00 C ATOM 663 CE1 HIS A 44 -6.320 -1.467 6.244 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.659 -1.850 5.167 1.00 0.00 N ATOM 0 H HIS A 44 -2.087 2.919 5.824 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.597 0.728 7.621 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.471 1.932 6.747 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.882 1.818 5.101 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.973 -0.965 4.078 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.147 -1.993 6.698 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.846 -2.694 4.625 1.00 0.00 H new ATOM 672 N VAL A 45 -1.835 0.012 4.475 1.00 0.00 N ATOM 673 CA VAL A 45 -1.251 -1.014 3.619 1.00 0.00 C ATOM 674 C VAL A 45 0.183 -1.324 4.034 1.00 0.00 C ATOM 675 O VAL A 45 0.765 -2.320 3.602 1.00 0.00 O ATOM 676 CB VAL A 45 -1.265 -0.585 2.140 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.789 -1.723 1.250 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.656 -0.124 1.733 1.00 0.00 C ATOM 0 H VAL A 45 -2.175 0.834 3.976 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.861 -1.909 3.735 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.579 0.253 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.806 -1.402 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.228 -2.001 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.448 -2.583 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.648 0.176 0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.365 -0.940 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.954 0.724 2.350 1.00 0.00 H new ATOM 688 N THR A 46 0.749 -0.465 4.876 1.00 0.00 N ATOM 689 CA THR A 46 2.116 -0.647 5.349 1.00 0.00 C ATOM 690 C THR A 46 2.213 -1.826 6.310 1.00 0.00 C ATOM 691 O THR A 46 2.888 -2.815 6.028 1.00 0.00 O ATOM 692 CB THR A 46 2.639 0.620 6.052 1.00 0.00 C ATOM 693 OG1 THR A 46 3.025 1.597 5.080 1.00 0.00 O ATOM 694 CG2 THR A 46 3.826 0.291 6.946 1.00 0.00 C ATOM 0 H THR A 46 0.282 0.364 5.244 1.00 0.00 H new ATOM 0 HA THR A 46 2.731 -0.847 4.472 1.00 0.00 H new ATOM 0 HB THR A 46 1.837 1.022 6.671 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.274 2.202 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.179 1.201 7.432 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.522 -0.431 7.704 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.629 -0.133 6.343 1.00 0.00 H new ATOM 702 N MET A 47 1.533 -1.714 7.446 1.00 0.00 N ATOM 703 CA MET A 47 1.542 -2.773 8.449 1.00 0.00 C ATOM 704 C MET A 47 0.361 -3.719 8.251 1.00 0.00 C ATOM 705 O MET A 47 0.526 -4.938 8.243 1.00 0.00 O ATOM 706 CB MET A 47 1.499 -2.173 9.856 1.00 0.00 C ATOM 707 CG MET A 47 0.168 -2.373 10.562 1.00 0.00 C ATOM 708 SD MET A 47 0.200 -1.812 12.275 1.00 0.00 S ATOM 709 CE MET A 47 0.668 -0.096 12.060 1.00 0.00 C ATOM 0 H MET A 47 0.969 -0.901 7.695 1.00 0.00 H new ATOM 0 HA MET A 47 2.465 -3.342 8.332 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.291 -2.620 10.457 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.711 -1.106 9.793 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.610 -1.834 10.022 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.098 -3.430 10.535 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.425 0.463 12.964 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.739 -0.032 11.870 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.124 0.326 11.215 1.00 0.00 H new ATOM 719 N GLU A 48 -0.829 -3.148 8.093 1.00 0.00 N ATOM 720 CA GLU A 48 -2.036 -3.941 7.896 1.00 0.00 C ATOM 721 C GLU A 48 -1.822 -4.999 6.817 1.00 0.00 C ATOM 722 O GLU A 48 -2.288 -6.132 6.941 1.00 0.00 O ATOM 723 CB GLU A 48 -3.211 -3.038 7.515 1.00 0.00 C ATOM 724 CG GLU A 48 -3.381 -1.841 8.435 1.00 0.00 C ATOM 725 CD GLU A 48 -3.523 -2.240 9.891 1.00 0.00 C ATOM 726 OE1 GLU A 48 -4.447 -3.019 10.205 1.00 0.00 O ATOM 727 OE2 GLU A 48 -2.711 -1.772 10.717 1.00 0.00 O ATOM 0 H GLU A 48 -0.983 -2.140 8.098 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.265 -4.445 8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.070 -2.684 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.129 -3.626 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.522 -1.179 8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.261 -1.275 8.130 1.00 0.00 H new ATOM 734 N HIS A 49 -1.115 -4.619 5.757 1.00 0.00 N ATOM 735 CA HIS A 49 -0.839 -5.534 4.655 1.00 0.00 C ATOM 736 C HIS A 49 0.650 -5.853 4.573 1.00 0.00 C ATOM 737 O HIS A 49 1.098 -6.902 5.036 1.00 0.00 O ATOM 738 CB HIS A 49 -1.318 -4.933 3.333 1.00 0.00 C ATOM 739 CG HIS A 49 -2.808 -4.832 3.225 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.655 -5.887 3.494 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.602 -3.793 2.876 1.00 0.00 C ATOM 742 CE1 HIS A 49 -4.906 -5.501 3.314 1.00 0.00 C ATOM 743 NE2 HIS A 49 -4.901 -4.235 2.939 1.00 0.00 N ATOM 0 H HIS A 49 -0.723 -3.685 5.638 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.381 -6.461 4.841 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.886 -3.939 3.218 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.943 -5.541 2.510 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.275 -2.801 2.600 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.783 -6.116 3.450 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -5.728 -3.676 2.730 1.00 0.00 H new ATOM 751 N VAL A 50 1.414 -4.940 3.981 1.00 0.00 N ATOM 752 CA VAL A 50 2.854 -5.123 3.838 1.00 0.00 C ATOM 753 C VAL A 50 3.467 -5.674 5.121 1.00 0.00 C ATOM 754 O VAL A 50 4.535 -6.285 5.098 1.00 0.00 O ATOM 755 CB VAL A 50 3.554 -3.801 3.474 1.00 0.00 C ATOM 756 CG1 VAL A 50 4.915 -3.714 4.149 1.00 0.00 C ATOM 757 CG2 VAL A 50 3.689 -3.667 1.965 1.00 0.00 C ATOM 0 H VAL A 50 1.060 -4.066 3.593 1.00 0.00 H new ATOM 0 HA VAL A 50 3.004 -5.839 3.030 1.00 0.00 H new ATOM 0 HB VAL A 50 2.942 -2.975 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.395 -2.773 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.788 -3.761 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.538 -4.546 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.186 -2.727 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.279 -4.498 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.699 -3.680 1.509 1.00 0.00 H new ATOM 767 N GLY A 51 2.782 -5.456 6.239 1.00 0.00 N ATOM 768 CA GLY A 51 3.275 -5.937 7.517 1.00 0.00 C ATOM 769 C GLY A 51 4.322 -5.021 8.117 1.00 0.00 C ATOM 770 O GLY A 51 4.220 -4.627 9.278 1.00 0.00 O ATOM 0 H GLY A 51 1.895 -4.955 6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.441 -6.034 8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.699 -6.933 7.388 1.00 0.00 H new ATOM 774 N GLY A 52 5.334 -4.681 7.324 1.00 0.00 N ATOM 775 CA GLY A 52 6.391 -3.810 7.803 1.00 0.00 C ATOM 776 C GLY A 52 7.763 -4.443 7.683 1.00 0.00 C ATOM 777 O GLY A 52 7.972 -5.384 6.917 1.00 0.00 O ATOM 0 H GLY A 52 5.440 -4.993 6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.374 -2.878 7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.202 -3.554 8.846 1.00 0.00 H new ATOM 781 N PRO A 53 8.729 -3.921 8.454 1.00 0.00 N ATOM 782 CA PRO A 53 10.106 -4.425 8.447 1.00 0.00 C ATOM 783 C PRO A 53 10.218 -5.810 9.075 1.00 0.00 C ATOM 784 O PRO A 53 11.285 -6.424 9.057 1.00 0.00 O ATOM 785 CB PRO A 53 10.865 -3.394 9.287 1.00 0.00 C ATOM 786 CG PRO A 53 9.832 -2.798 10.180 1.00 0.00 C ATOM 787 CD PRO A 53 8.552 -2.799 9.390 1.00 0.00 C ATOM 0 HA PRO A 53 10.494 -4.539 7.435 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.663 -3.863 9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.330 -2.635 8.657 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.726 -3.379 11.096 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.108 -1.786 10.475 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.684 -2.945 10.032 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.404 -1.856 8.863 1.00 0.00 H new ATOM 795 N GLU A 54 9.111 -6.297 9.627 1.00 0.00 N ATOM 796 CA GLU A 54 9.088 -7.610 10.260 1.00 0.00 C ATOM 797 C GLU A 54 8.160 -8.560 9.509 1.00 0.00 C ATOM 798 O GLU A 54 7.380 -9.292 10.117 1.00 0.00 O ATOM 799 CB GLU A 54 8.641 -7.490 11.719 1.00 0.00 C ATOM 800 CG GLU A 54 9.723 -6.963 12.646 1.00 0.00 C ATOM 801 CD GLU A 54 10.890 -7.921 12.784 1.00 0.00 C ATOM 802 OE1 GLU A 54 10.662 -9.081 13.186 1.00 0.00 O ATOM 803 OE2 GLU A 54 12.032 -7.510 12.489 1.00 0.00 O ATOM 0 H GLU A 54 8.219 -5.802 9.649 1.00 0.00 H new ATOM 0 HA GLU A 54 10.099 -8.017 10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.776 -6.829 11.772 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.317 -8.469 12.072 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.085 -6.007 12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.293 -6.775 13.630 1.00 0.00 H new ATOM 810 N GLN A 55 8.250 -8.540 8.183 1.00 0.00 N ATOM 811 CA GLN A 55 7.417 -9.398 7.348 1.00 0.00 C ATOM 812 C GLN A 55 8.276 -10.284 6.451 1.00 0.00 C ATOM 813 O GLN A 55 9.441 -9.981 6.196 1.00 0.00 O ATOM 814 CB GLN A 55 6.471 -8.552 6.494 1.00 0.00 C ATOM 815 CG GLN A 55 5.056 -9.102 6.427 1.00 0.00 C ATOM 816 CD GLN A 55 4.948 -10.328 5.542 1.00 0.00 C ATOM 817 OE1 GLN A 55 4.587 -11.411 6.003 1.00 0.00 O ATOM 818 NE2 GLN A 55 5.260 -10.164 4.262 1.00 0.00 N ATOM 0 H GLN A 55 8.891 -7.940 7.664 1.00 0.00 H new ATOM 0 HA GLN A 55 6.827 -10.039 8.004 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.440 -7.539 6.896 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.873 -8.481 5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.720 -9.354 7.433 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.387 -8.328 6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.555 -9.249 3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.205 -10.953 3.618 1.00 0.00 H new ATOM 827 N ASN A 56 7.692 -11.379 5.976 1.00 0.00 N ATOM 828 CA ASN A 56 8.405 -12.310 5.108 1.00 0.00 C ATOM 829 C ASN A 56 7.769 -12.355 3.721 1.00 0.00 C ATOM 830 O ASN A 56 6.653 -12.844 3.555 1.00 0.00 O ATOM 831 CB ASN A 56 8.413 -13.710 5.724 1.00 0.00 C ATOM 832 CG ASN A 56 7.017 -14.286 5.869 1.00 0.00 C ATOM 833 OD1 ASN A 56 6.587 -15.110 5.062 1.00 0.00 O ATOM 834 ND2 ASN A 56 6.303 -13.853 6.901 1.00 0.00 N ATOM 0 H ASN A 56 6.728 -11.644 6.177 1.00 0.00 H new ATOM 0 HA ASN A 56 9.432 -11.960 5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.014 -14.374 5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.890 -13.670 6.703 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.357 -14.204 7.050 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.700 -13.169 7.545 1.00 0.00 H new ATOM 841 N ASN A 57 8.490 -11.843 2.729 1.00 0.00 N ATOM 842 CA ASN A 57 7.997 -11.825 1.357 1.00 0.00 C ATOM 843 C ASN A 57 7.059 -10.643 1.131 1.00 0.00 C ATOM 844 O ASN A 57 5.914 -10.650 1.584 1.00 0.00 O ATOM 845 CB ASN A 57 7.273 -13.134 1.036 1.00 0.00 C ATOM 846 CG ASN A 57 7.557 -13.622 -0.372 1.00 0.00 C ATOM 847 OD1 ASN A 57 7.893 -14.788 -0.580 1.00 0.00 O ATOM 848 ND2 ASN A 57 7.423 -12.729 -1.345 1.00 0.00 N ATOM 0 H ASN A 57 9.417 -11.435 2.850 1.00 0.00 H new ATOM 0 HA ASN A 57 8.853 -11.718 0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.577 -13.899 1.751 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.199 -12.992 1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.601 -12.998 -2.313 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.142 -11.773 -1.125 1.00 0.00 H new ATOM 855 N HIS A 58 7.552 -9.629 0.427 1.00 0.00 N ATOM 856 CA HIS A 58 6.758 -8.440 0.139 1.00 0.00 C ATOM 857 C HIS A 58 6.101 -8.544 -1.234 1.00 0.00 C ATOM 858 O HIS A 58 6.781 -8.701 -2.248 1.00 0.00 O ATOM 859 CB HIS A 58 7.633 -7.188 0.206 1.00 0.00 C ATOM 860 CG HIS A 58 8.983 -7.432 0.806 1.00 0.00 C ATOM 861 ND1 HIS A 58 10.161 -7.140 0.152 1.00 0.00 N ATOM 862 CD2 HIS A 58 9.338 -7.942 2.009 1.00 0.00 C ATOM 863 CE1 HIS A 58 11.183 -7.462 0.926 1.00 0.00 C ATOM 864 NE2 HIS A 58 10.710 -7.950 2.059 1.00 0.00 N ATOM 0 H HIS A 58 8.498 -9.607 0.045 1.00 0.00 H new ATOM 0 HA HIS A 58 5.974 -8.366 0.892 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.759 -6.788 -0.800 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.118 -6.425 0.790 1.00 0.00 H new ATOM 0 HD1 HIS A 58 10.233 -6.738 -0.783 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.667 -8.280 2.785 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.227 -7.346 0.675 1.00 0.00 H new ATOM 872 N VAL A 59 4.775 -8.457 -1.259 1.00 0.00 N ATOM 873 CA VAL A 59 4.026 -8.541 -2.507 1.00 0.00 C ATOM 874 C VAL A 59 2.964 -7.451 -2.585 1.00 0.00 C ATOM 875 O VAL A 59 2.216 -7.228 -1.632 1.00 0.00 O ATOM 876 CB VAL A 59 3.349 -9.915 -2.664 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.495 -9.949 -3.922 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.391 -11.023 -2.687 1.00 0.00 C ATOM 0 H VAL A 59 4.197 -8.328 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 59 4.743 -8.403 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 59 2.697 -10.079 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.025 -10.928 -4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.724 -9.181 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.123 -9.763 -4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.895 -11.987 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.071 -10.866 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.955 -11.011 -1.755 1.00 0.00 H new ATOM 888 N CYS A 60 2.901 -6.773 -3.727 1.00 0.00 N ATOM 889 CA CYS A 60 1.930 -5.705 -3.931 1.00 0.00 C ATOM 890 C CYS A 60 0.597 -6.268 -4.417 1.00 0.00 C ATOM 891 O CYS A 60 0.486 -6.737 -5.550 1.00 0.00 O ATOM 892 CB CYS A 60 2.465 -4.687 -4.940 1.00 0.00 C ATOM 893 SG CYS A 60 1.383 -3.242 -5.183 1.00 0.00 S ATOM 0 H CYS A 60 3.512 -6.945 -4.526 1.00 0.00 H new ATOM 0 HA CYS A 60 1.767 -5.207 -2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.444 -4.342 -4.608 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.610 -5.184 -5.899 1.00 0.00 H new ATOM 0 HG CYS A 60 2.027 -2.159 -4.864 1.00 0.00 H new ATOM 898 N TYR A 61 -0.410 -6.217 -3.553 1.00 0.00 N ATOM 899 CA TYR A 61 -1.735 -6.723 -3.893 1.00 0.00 C ATOM 900 C TYR A 61 -2.712 -5.575 -4.130 1.00 0.00 C ATOM 901 O TYR A 61 -2.974 -4.773 -3.234 1.00 0.00 O ATOM 902 CB TYR A 61 -2.258 -7.630 -2.778 1.00 0.00 C ATOM 903 CG TYR A 61 -1.702 -9.036 -2.830 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.140 -9.941 -3.789 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.741 -9.458 -1.921 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.635 -11.226 -3.840 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.230 -10.740 -1.966 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.680 -11.621 -2.927 1.00 0.00 C ATOM 909 OH TYR A 61 -0.175 -12.900 -2.974 1.00 0.00 O ATOM 0 H TYR A 61 -0.335 -5.831 -2.612 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.651 -7.301 -4.814 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.011 -7.186 -1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.345 -7.676 -2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.887 -9.635 -4.506 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.387 -8.772 -1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.986 -11.918 -4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.518 -11.051 -1.252 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.587 -13.387 -3.718 1.00 0.00 H new ATOM 919 N TRP A 62 -3.247 -5.505 -5.344 1.00 0.00 N ATOM 920 CA TRP A 62 -4.196 -4.457 -5.701 1.00 0.00 C ATOM 921 C TRP A 62 -5.165 -4.942 -6.773 1.00 0.00 C ATOM 922 O TRP A 62 -4.989 -6.020 -7.339 1.00 0.00 O ATOM 923 CB TRP A 62 -3.453 -3.213 -6.192 1.00 0.00 C ATOM 924 CG TRP A 62 -4.198 -1.938 -5.939 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.704 -1.084 -6.878 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.518 -1.371 -4.664 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.320 -0.021 -6.263 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.220 -0.173 -4.905 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.283 -1.759 -3.342 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.686 0.637 -3.873 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.745 -0.953 -2.319 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.441 0.233 -2.589 1.00 0.00 C ATOM 0 H TRP A 62 -3.040 -6.161 -6.097 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.769 -4.201 -4.810 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.481 -3.161 -5.701 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.265 -3.309 -7.261 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.631 -1.224 -7.946 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.778 0.756 -6.740 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.750 -2.673 -3.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.222 1.552 -4.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.567 -1.242 -1.294 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.791 0.840 -1.767 1.00 0.00 H new ATOM 943 N GLU A 63 -6.188 -4.138 -7.048 1.00 0.00 N ATOM 944 CA GLU A 63 -7.185 -4.488 -8.053 1.00 0.00 C ATOM 945 C GLU A 63 -6.715 -4.085 -9.448 1.00 0.00 C ATOM 946 O GLU A 63 -6.936 -4.807 -10.420 1.00 0.00 O ATOM 947 CB GLU A 63 -8.520 -3.811 -7.737 1.00 0.00 C ATOM 948 CG GLU A 63 -9.491 -3.804 -8.905 1.00 0.00 C ATOM 949 CD GLU A 63 -10.929 -4.012 -8.471 1.00 0.00 C ATOM 950 OE1 GLU A 63 -11.194 -5.001 -7.755 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.788 -3.187 -8.845 1.00 0.00 O ATOM 0 H GLU A 63 -6.348 -3.241 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.321 -5.569 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.985 -4.320 -6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.332 -2.783 -7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.409 -2.855 -9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.211 -4.587 -9.610 1.00 0.00 H new ATOM 958 N GLU A 64 -6.067 -2.928 -9.537 1.00 0.00 N ATOM 959 CA GLU A 64 -5.568 -2.429 -10.813 1.00 0.00 C ATOM 960 C GLU A 64 -4.073 -2.132 -10.733 1.00 0.00 C ATOM 961 O GLU A 64 -3.637 -1.009 -10.990 1.00 0.00 O ATOM 962 CB GLU A 64 -6.329 -1.166 -11.224 1.00 0.00 C ATOM 963 CG GLU A 64 -7.835 -1.284 -11.064 1.00 0.00 C ATOM 964 CD GLU A 64 -8.596 -0.440 -12.068 1.00 0.00 C ATOM 965 OE1 GLU A 64 -8.254 0.752 -12.221 1.00 0.00 O ATOM 966 OE2 GLU A 64 -9.534 -0.970 -12.700 1.00 0.00 O ATOM 0 H GLU A 64 -5.875 -2.319 -8.741 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.728 -3.202 -11.565 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.973 -0.327 -10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.100 -0.936 -12.264 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.128 -2.328 -11.176 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.114 -0.981 -10.055 1.00 0.00 H new ATOM 973 N CYS A 65 -3.293 -3.146 -10.375 1.00 0.00 N ATOM 974 CA CYS A 65 -1.848 -2.996 -10.260 1.00 0.00 C ATOM 975 C CYS A 65 -1.134 -3.713 -11.402 1.00 0.00 C ATOM 976 O CYS A 65 -1.553 -4.777 -11.859 1.00 0.00 O ATOM 977 CB CYS A 65 -1.362 -3.544 -8.916 1.00 0.00 C ATOM 978 SG CYS A 65 0.388 -4.048 -8.908 1.00 0.00 S ATOM 0 H CYS A 65 -3.638 -4.081 -10.159 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.613 -1.933 -10.318 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.514 -2.784 -8.150 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.977 -4.401 -8.641 1.00 0.00 H new ATOM 0 HG CYS A 65 0.887 -3.865 -7.722 1.00 0.00 H new ATOM 983 N PRO A 66 -0.028 -3.118 -11.875 1.00 0.00 N ATOM 984 CA PRO A 66 0.768 -3.683 -12.969 1.00 0.00 C ATOM 985 C PRO A 66 1.509 -4.949 -12.553 1.00 0.00 C ATOM 986 O PRO A 66 1.555 -5.926 -13.300 1.00 0.00 O ATOM 987 CB PRO A 66 1.762 -2.566 -13.297 1.00 0.00 C ATOM 988 CG PRO A 66 1.880 -1.781 -12.036 1.00 0.00 C ATOM 989 CD PRO A 66 0.530 -1.849 -11.378 1.00 0.00 C ATOM 0 HA PRO A 66 0.147 -3.982 -13.813 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.727 -2.972 -13.602 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.403 -1.945 -14.118 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.651 -2.197 -11.388 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.161 -0.749 -12.244 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.612 -1.844 -10.291 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.095 -1.000 -11.654 1.00 0.00 H new ATOM 997 N ARG A 67 2.086 -4.925 -11.356 1.00 0.00 N ATOM 998 CA ARG A 67 2.826 -6.072 -10.842 1.00 0.00 C ATOM 999 C ARG A 67 1.877 -7.206 -10.466 1.00 0.00 C ATOM 1000 O ARG A 67 2.301 -8.346 -10.278 1.00 0.00 O ATOM 1001 CB ARG A 67 3.658 -5.664 -9.624 1.00 0.00 C ATOM 1002 CG ARG A 67 4.010 -4.186 -9.595 1.00 0.00 C ATOM 1003 CD ARG A 67 5.432 -3.962 -9.104 1.00 0.00 C ATOM 1004 NE ARG A 67 5.860 -2.576 -9.279 1.00 0.00 N ATOM 1005 CZ ARG A 67 7.125 -2.182 -9.197 1.00 0.00 C ATOM 1006 NH1 ARG A 67 8.083 -3.063 -8.944 1.00 0.00 N ATOM 1007 NH2 ARG A 67 7.435 -0.903 -9.368 1.00 0.00 N ATOM 0 H ARG A 67 2.056 -4.125 -10.724 1.00 0.00 H new ATOM 0 HA ARG A 67 3.493 -6.425 -11.628 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.107 -5.916 -8.718 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.578 -6.248 -9.611 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.898 -3.764 -10.594 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.312 -3.657 -8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.498 -4.231 -8.050 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.110 -4.622 -9.645 1.00 0.00 H new ATOM 0 HE ARG A 67 5.148 -1.873 -9.475 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.849 -4.047 -8.812 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.054 -2.757 -8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.701 -0.222 -9.563 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.407 -0.601 -9.305 1.00 0.00 H new ATOM 1021 N GLU A 68 0.592 -6.885 -10.357 1.00 0.00 N ATOM 1022 CA GLU A 68 -0.416 -7.877 -10.003 1.00 0.00 C ATOM 1023 C GLU A 68 0.124 -8.852 -8.960 1.00 0.00 C ATOM 1024 O GLU A 68 -0.285 -10.011 -8.907 1.00 0.00 O ATOM 1025 CB GLU A 68 -0.869 -8.644 -11.247 1.00 0.00 C ATOM 1026 CG GLU A 68 -1.119 -7.754 -12.453 1.00 0.00 C ATOM 1027 CD GLU A 68 -0.741 -8.424 -13.760 1.00 0.00 C ATOM 1028 OE1 GLU A 68 0.410 -8.895 -13.874 1.00 0.00 O ATOM 1029 OE2 GLU A 68 -1.596 -8.476 -14.669 1.00 0.00 O ATOM 0 H GLU A 68 0.224 -5.946 -10.509 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.271 -7.352 -9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.111 -9.384 -11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.783 -9.191 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.173 -7.476 -12.483 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.549 -6.831 -12.344 1.00 0.00 H new ATOM 1036 N GLY A 69 1.046 -8.372 -8.131 1.00 0.00 N ATOM 1037 CA GLY A 69 1.628 -9.213 -7.101 1.00 0.00 C ATOM 1038 C GLY A 69 2.833 -9.986 -7.597 1.00 0.00 C ATOM 1039 O GLY A 69 2.905 -11.206 -7.442 1.00 0.00 O ATOM 0 H GLY A 69 1.400 -7.416 -8.154 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.921 -8.594 -6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.875 -9.913 -6.739 1.00 0.00 H new ATOM 1043 N LYS A 70 3.784 -9.277 -8.196 1.00 0.00 N ATOM 1044 CA LYS A 70 4.993 -9.904 -8.718 1.00 0.00 C ATOM 1045 C LYS A 70 6.054 -10.030 -7.629 1.00 0.00 C ATOM 1046 O LYS A 70 7.066 -10.707 -7.810 1.00 0.00 O ATOM 1047 CB LYS A 70 5.546 -9.094 -9.893 1.00 0.00 C ATOM 1048 CG LYS A 70 6.952 -8.570 -9.661 1.00 0.00 C ATOM 1049 CD LYS A 70 7.446 -7.755 -10.845 1.00 0.00 C ATOM 1050 CE LYS A 70 8.958 -7.839 -10.988 1.00 0.00 C ATOM 1051 NZ LYS A 70 9.358 -8.653 -12.169 1.00 0.00 N ATOM 0 H LYS A 70 3.741 -8.267 -8.332 1.00 0.00 H new ATOM 0 HA LYS A 70 4.733 -10.904 -9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.542 -9.717 -10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.881 -8.253 -10.088 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.968 -7.954 -8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.629 -9.406 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.973 -8.115 -11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.149 -6.714 -10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.370 -6.834 -11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.385 -8.275 -10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.396 -8.686 -12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.986 -9.619 -12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.972 -8.223 -13.034 1.00 0.00 H new ATOM 1065 N SER A 71 5.814 -9.375 -6.497 1.00 0.00 N ATOM 1066 CA SER A 71 6.750 -9.411 -5.380 1.00 0.00 C ATOM 1067 C SER A 71 8.005 -8.603 -5.696 1.00 0.00 C ATOM 1068 O SER A 71 8.432 -8.522 -6.848 1.00 0.00 O ATOM 1069 CB SER A 71 7.131 -10.857 -5.053 1.00 0.00 C ATOM 1070 OG SER A 71 6.233 -11.770 -5.659 1.00 0.00 O ATOM 0 H SER A 71 4.979 -8.813 -6.330 1.00 0.00 H new ATOM 0 HA SER A 71 6.260 -8.966 -4.514 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.145 -11.056 -5.399 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.128 -11.002 -3.973 1.00 0.00 H new ATOM 0 HG SER A 71 6.515 -11.943 -6.581 1.00 0.00 H new ATOM 1076 N PHE A 72 8.591 -8.004 -4.664 1.00 0.00 N ATOM 1077 CA PHE A 72 9.796 -7.200 -4.830 1.00 0.00 C ATOM 1078 C PHE A 72 11.007 -7.903 -4.223 1.00 0.00 C ATOM 1079 O PHE A 72 10.911 -9.038 -3.756 1.00 0.00 O ATOM 1080 CB PHE A 72 9.611 -5.827 -4.181 1.00 0.00 C ATOM 1081 CG PHE A 72 8.615 -4.956 -4.892 1.00 0.00 C ATOM 1082 CD1 PHE A 72 7.264 -5.262 -4.864 1.00 0.00 C ATOM 1083 CD2 PHE A 72 9.030 -3.832 -5.588 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.345 -4.463 -5.518 1.00 0.00 C ATOM 1085 CE2 PHE A 72 8.115 -3.030 -6.244 1.00 0.00 C ATOM 1086 CZ PHE A 72 6.771 -3.345 -6.208 1.00 0.00 C ATOM 0 H PHE A 72 8.251 -8.060 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 72 9.972 -7.069 -5.898 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.291 -5.963 -3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.573 -5.315 -4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.925 -6.135 -4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.080 -3.580 -5.618 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.295 -4.713 -5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.451 -2.157 -6.784 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.054 -2.718 -6.718 1.00 0.00 H new ATOM 1096 N LYS A 73 12.147 -7.221 -4.234 1.00 0.00 N ATOM 1097 CA LYS A 73 13.377 -7.777 -3.686 1.00 0.00 C ATOM 1098 C LYS A 73 13.696 -7.159 -2.328 1.00 0.00 C ATOM 1099 O LYS A 73 14.490 -7.701 -1.560 1.00 0.00 O ATOM 1100 CB LYS A 73 14.542 -7.544 -4.651 1.00 0.00 C ATOM 1101 CG LYS A 73 14.676 -8.620 -5.714 1.00 0.00 C ATOM 1102 CD LYS A 73 13.985 -8.217 -7.006 1.00 0.00 C ATOM 1103 CE LYS A 73 13.703 -9.424 -7.887 1.00 0.00 C ATOM 1104 NZ LYS A 73 14.943 -10.193 -8.188 1.00 0.00 N ATOM 0 H LYS A 73 12.244 -6.281 -4.617 1.00 0.00 H new ATOM 0 HA LYS A 73 13.233 -8.849 -3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.411 -6.578 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.470 -7.491 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.731 -8.811 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.246 -9.552 -5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.050 -7.707 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.610 -7.508 -7.548 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.983 -10.075 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.245 -9.094 -8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.742 -10.903 -8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.681 -9.543 -8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.273 -10.671 -7.325 1.00 0.00 H new ATOM 1118 N ALA A 74 13.072 -6.022 -2.040 1.00 0.00 N ATOM 1119 CA ALA A 74 13.287 -5.332 -0.774 1.00 0.00 C ATOM 1120 C ALA A 74 11.961 -4.965 -0.116 1.00 0.00 C ATOM 1121 O ALA A 74 10.937 -4.840 -0.788 1.00 0.00 O ATOM 1122 CB ALA A 74 14.135 -4.087 -0.989 1.00 0.00 C ATOM 0 H ALA A 74 12.413 -5.559 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 74 13.819 -6.009 -0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.288 -3.582 -0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.100 -4.372 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.625 -3.414 -1.679 1.00 0.00 H new ATOM 1128 N LYS A 75 11.987 -4.794 1.201 1.00 0.00 N ATOM 1129 CA LYS A 75 10.787 -4.440 1.950 1.00 0.00 C ATOM 1130 C LYS A 75 10.236 -3.093 1.492 1.00 0.00 C ATOM 1131 O LYS A 75 9.134 -3.015 0.949 1.00 0.00 O ATOM 1132 CB LYS A 75 11.092 -4.395 3.449 1.00 0.00 C ATOM 1133 CG LYS A 75 9.998 -3.737 4.273 1.00 0.00 C ATOM 1134 CD LYS A 75 10.397 -2.340 4.716 1.00 0.00 C ATOM 1135 CE LYS A 75 9.662 -1.926 5.982 1.00 0.00 C ATOM 1136 NZ LYS A 75 10.419 -0.900 6.752 1.00 0.00 N ATOM 0 H LYS A 75 12.826 -4.895 1.772 1.00 0.00 H new ATOM 0 HA LYS A 75 10.033 -5.204 1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.246 -5.412 3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.027 -3.856 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.081 -3.685 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.783 -4.350 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.472 -2.306 4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.181 -1.629 3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.680 -1.532 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.497 -2.802 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.910 -0.681 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.365 -1.266 6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.511 -0.035 6.181 1.00 0.00 H new ATOM 1150 N TYR A 76 11.011 -2.037 1.713 1.00 0.00 N ATOM 1151 CA TYR A 76 10.599 -0.693 1.323 1.00 0.00 C ATOM 1152 C TYR A 76 10.135 -0.665 -0.130 1.00 0.00 C ATOM 1153 O TYR A 76 9.098 -0.084 -0.452 1.00 0.00 O ATOM 1154 CB TYR A 76 11.752 0.293 1.521 1.00 0.00 C ATOM 1155 CG TYR A 76 12.966 -0.018 0.675 1.00 0.00 C ATOM 1156 CD1 TYR A 76 13.938 -0.906 1.119 1.00 0.00 C ATOM 1157 CD2 TYR A 76 13.142 0.578 -0.568 1.00 0.00 C ATOM 1158 CE1 TYR A 76 15.049 -1.193 0.350 1.00 0.00 C ATOM 1159 CE2 TYR A 76 14.250 0.296 -1.344 1.00 0.00 C ATOM 1160 CZ TYR A 76 15.200 -0.589 -0.881 1.00 0.00 C ATOM 1161 OH TYR A 76 16.306 -0.871 -1.651 1.00 0.00 O ATOM 0 H TYR A 76 11.927 -2.085 2.160 1.00 0.00 H new ATOM 0 HA TYR A 76 9.763 -0.398 1.958 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.404 1.299 1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.042 0.294 2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 76 13.823 -1.380 2.082 1.00 0.00 H new ATOM 0 HD2 TYR A 76 12.401 1.273 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 76 15.795 -1.886 0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 76 14.371 0.767 -2.308 1.00 0.00 H new ATOM 0 HH TYR A 76 16.259 -0.364 -2.488 1.00 0.00 H new ATOM 1171 N LYS A 77 10.909 -1.299 -1.004 1.00 0.00 N ATOM 1172 CA LYS A 77 10.579 -1.350 -2.423 1.00 0.00 C ATOM 1173 C LYS A 77 9.077 -1.526 -2.626 1.00 0.00 C ATOM 1174 O LYS A 77 8.486 -0.914 -3.517 1.00 0.00 O ATOM 1175 CB LYS A 77 11.333 -2.496 -3.102 1.00 0.00 C ATOM 1176 CG LYS A 77 12.514 -2.035 -3.939 1.00 0.00 C ATOM 1177 CD LYS A 77 12.746 -2.951 -5.129 1.00 0.00 C ATOM 1178 CE LYS A 77 14.229 -3.125 -5.418 1.00 0.00 C ATOM 1179 NZ LYS A 77 14.496 -3.277 -6.875 1.00 0.00 N ATOM 0 H LYS A 77 11.770 -1.785 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 77 10.881 -0.405 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.688 -3.189 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.641 -3.049 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.337 -1.018 -4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.411 -2.007 -3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.296 -3.924 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.249 -2.540 -6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.777 -2.263 -5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.602 -4.001 -4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.518 -3.393 -7.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.994 -4.114 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.163 -2.430 -7.379 1.00 0.00 H new ATOM 1193 N LEU A 78 8.466 -2.362 -1.795 1.00 0.00 N ATOM 1194 CA LEU A 78 7.032 -2.616 -1.882 1.00 0.00 C ATOM 1195 C LEU A 78 6.235 -1.361 -1.541 1.00 0.00 C ATOM 1196 O LEU A 78 5.603 -0.759 -2.409 1.00 0.00 O ATOM 1197 CB LEU A 78 6.638 -3.756 -0.941 1.00 0.00 C ATOM 1198 CG LEU A 78 5.175 -4.196 -0.996 1.00 0.00 C ATOM 1199 CD1 LEU A 78 4.703 -4.300 -2.438 1.00 0.00 C ATOM 1200 CD2 LEU A 78 4.990 -5.524 -0.276 1.00 0.00 C ATOM 0 H LEU A 78 8.941 -2.876 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 78 6.800 -2.903 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.265 -4.619 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.867 -3.453 0.081 1.00 0.00 H new ATOM 0 HG LEU A 78 4.570 -3.444 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.660 -4.614 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.798 -3.329 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.312 -5.032 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.943 -5.822 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.607 -6.286 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.288 -5.417 0.767 1.00 0.00 H new ATOM 1212 N VAL A 79 6.271 -0.971 -0.270 1.00 0.00 N ATOM 1213 CA VAL A 79 5.554 0.214 0.186 1.00 0.00 C ATOM 1214 C VAL A 79 5.824 1.404 -0.727 1.00 0.00 C ATOM 1215 O VAL A 79 4.996 2.306 -0.850 1.00 0.00 O ATOM 1216 CB VAL A 79 5.947 0.587 1.627 1.00 0.00 C ATOM 1217 CG1 VAL A 79 5.585 2.035 1.922 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.280 -0.351 2.621 1.00 0.00 C ATOM 0 H VAL A 79 6.789 -1.458 0.461 1.00 0.00 H new ATOM 0 HA VAL A 79 4.492 -0.028 0.158 1.00 0.00 H new ATOM 0 HB VAL A 79 7.027 0.480 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.870 2.280 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.114 2.691 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.510 2.173 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.569 -0.073 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.197 -0.278 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.595 -1.375 2.422 1.00 0.00 H new ATOM 1228 N ASN A 80 6.989 1.400 -1.368 1.00 0.00 N ATOM 1229 CA ASN A 80 7.369 2.480 -2.271 1.00 0.00 C ATOM 1230 C ASN A 80 6.488 2.483 -3.517 1.00 0.00 C ATOM 1231 O ASN A 80 6.023 3.534 -3.960 1.00 0.00 O ATOM 1232 CB ASN A 80 8.839 2.344 -2.672 1.00 0.00 C ATOM 1233 CG ASN A 80 9.223 3.294 -3.791 1.00 0.00 C ATOM 1234 OD1 ASN A 80 8.578 4.323 -3.996 1.00 0.00 O ATOM 1235 ND2 ASN A 80 10.278 2.952 -4.521 1.00 0.00 N ATOM 0 H ASN A 80 7.686 0.661 -1.278 1.00 0.00 H new ATOM 0 HA ASN A 80 7.229 3.425 -1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.469 2.536 -1.804 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.034 1.319 -2.987 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.584 3.551 -5.287 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.783 2.090 -4.315 1.00 0.00 H new ATOM 1242 N HIS A 81 6.261 1.299 -4.077 1.00 0.00 N ATOM 1243 CA HIS A 81 5.435 1.164 -5.271 1.00 0.00 C ATOM 1244 C HIS A 81 3.956 1.322 -4.930 1.00 0.00 C ATOM 1245 O HIS A 81 3.189 1.900 -5.701 1.00 0.00 O ATOM 1246 CB HIS A 81 5.675 -0.193 -5.933 1.00 0.00 C ATOM 1247 CG HIS A 81 4.585 -0.601 -6.876 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.198 0.164 -7.955 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.800 -1.704 -6.897 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.220 -0.449 -8.599 1.00 0.00 C ATOM 1251 NE2 HIS A 81 2.960 -1.585 -7.977 1.00 0.00 N ATOM 0 H HIS A 81 6.638 0.420 -3.723 1.00 0.00 H new ATOM 0 HA HIS A 81 5.716 1.954 -5.967 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.620 -0.161 -6.475 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.777 -0.953 -5.158 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.603 1.063 -8.216 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.829 -2.524 -6.195 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.719 -0.083 -9.483 1.00 0.00 H new ATOM 1259 N ILE A 82 3.563 0.804 -3.771 1.00 0.00 N ATOM 1260 CA ILE A 82 2.177 0.888 -3.328 1.00 0.00 C ATOM 1261 C ILE A 82 1.656 2.319 -3.421 1.00 0.00 C ATOM 1262 O ILE A 82 0.520 2.550 -3.834 1.00 0.00 O ATOM 1263 CB ILE A 82 2.018 0.389 -1.879 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.281 -1.116 -1.804 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.627 0.716 -1.357 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.461 -1.628 -0.392 1.00 0.00 C ATOM 0 H ILE A 82 4.185 0.322 -3.122 1.00 0.00 H new ATOM 0 HA ILE A 82 1.594 0.248 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 82 2.749 0.898 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.450 -1.646 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.174 -1.350 -2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.529 0.357 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.474 1.795 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.120 0.230 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.644 -2.702 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.310 -1.125 0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.559 -1.426 0.186 1.00 0.00 H new ATOM 1278 N ARG A 83 2.495 3.274 -3.035 1.00 0.00 N ATOM 1279 CA ARG A 83 2.119 4.683 -3.075 1.00 0.00 C ATOM 1280 C ARG A 83 1.443 5.027 -4.399 1.00 0.00 C ATOM 1281 O ARG A 83 0.399 5.680 -4.423 1.00 0.00 O ATOM 1282 CB ARG A 83 3.352 5.567 -2.875 1.00 0.00 C ATOM 1283 CG ARG A 83 4.242 5.119 -1.727 1.00 0.00 C ATOM 1284 CD ARG A 83 5.058 6.276 -1.172 1.00 0.00 C ATOM 1285 NE ARG A 83 4.901 6.412 0.274 1.00 0.00 N ATOM 1286 CZ ARG A 83 5.149 7.536 0.938 1.00 0.00 C ATOM 1287 NH1 ARG A 83 5.564 8.615 0.289 1.00 0.00 N ATOM 1288 NH2 ARG A 83 4.982 7.581 2.253 1.00 0.00 N ATOM 0 H ARG A 83 3.439 3.099 -2.691 1.00 0.00 H new ATOM 0 HA ARG A 83 1.412 4.868 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.936 5.575 -3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.028 6.592 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.628 4.692 -0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.912 4.331 -2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.111 6.124 -1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.752 7.202 -1.659 1.00 0.00 H new ATOM 0 HE ARG A 83 4.584 5.600 0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.694 8.584 -0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.754 9.477 0.801 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.663 6.752 2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.173 8.444 2.762 1.00 0.00 H new ATOM 1302 N VAL A 84 2.044 4.584 -5.498 1.00 0.00 N ATOM 1303 CA VAL A 84 1.500 4.844 -6.825 1.00 0.00 C ATOM 1304 C VAL A 84 0.014 4.507 -6.886 1.00 0.00 C ATOM 1305 O VAL A 84 -0.748 5.141 -7.616 1.00 0.00 O ATOM 1306 CB VAL A 84 2.243 4.036 -7.905 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.608 2.665 -8.078 1.00 0.00 C ATOM 1308 CG2 VAL A 84 2.258 4.796 -9.223 1.00 0.00 C ATOM 0 H VAL A 84 2.909 4.043 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 84 1.637 5.908 -7.020 1.00 0.00 H new ATOM 0 HB VAL A 84 3.274 3.894 -7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.147 2.109 -8.845 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.655 2.121 -7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.567 2.782 -8.378 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.787 4.210 -9.975 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.234 4.971 -9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.763 5.752 -9.086 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.391 3.504 -6.113 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.787 3.082 -6.078 1.00 0.00 C ATOM 1320 C HIS A 85 -2.607 3.993 -5.170 1.00 0.00 C ATOM 1321 O HIS A 85 -3.681 4.462 -5.550 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.892 1.635 -5.596 1.00 0.00 C ATOM 1323 CG HIS A 85 -1.165 0.659 -6.469 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.803 0.936 -7.770 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.730 -0.599 -6.219 1.00 0.00 C ATOM 1326 CE1 HIS A 85 -0.178 -0.108 -8.284 1.00 0.00 C ATOM 1327 NE2 HIS A 85 -0.120 -1.053 -7.363 1.00 0.00 N ATOM 0 H HIS A 85 0.227 2.969 -5.503 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.187 3.150 -7.090 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.496 1.569 -4.583 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.944 1.353 -5.547 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.842 -1.144 -5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.218 -0.177 -9.286 1.00 0.00 H new ATOM 0 HE2 HIS A 85 0.308 -1.971 -7.482 1.00 0.00 H new ATOM 1335 N THR A 86 -2.095 4.241 -3.969 1.00 0.00 N ATOM 1336 CA THR A 86 -2.781 5.094 -3.006 1.00 0.00 C ATOM 1337 C THR A 86 -3.102 6.456 -3.611 1.00 0.00 C ATOM 1338 O THR A 86 -4.145 7.042 -3.325 1.00 0.00 O ATOM 1339 CB THR A 86 -1.937 5.296 -1.734 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.674 5.881 -2.070 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.713 3.972 -1.017 1.00 0.00 C ATOM 0 H THR A 86 -1.207 3.863 -3.639 1.00 0.00 H new ATOM 0 HA THR A 86 -3.710 4.589 -2.740 1.00 0.00 H new ATOM 0 HB THR A 86 -2.481 5.966 -1.068 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.526 5.807 -3.036 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.114 4.140 -0.122 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.675 3.543 -0.735 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.189 3.283 -1.680 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.198 6.955 -4.449 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.405 8.245 -5.081 1.00 0.00 C ATOM 1351 C GLY A 87 -1.580 9.343 -4.440 1.00 0.00 C ATOM 1352 O GLY A 87 -1.533 10.466 -4.942 1.00 0.00 O ATOM 0 H GLY A 87 -1.326 6.489 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.150 8.173 -6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.461 8.508 -5.025 1.00 0.00 H new ATOM 1356 N GLU A 88 -0.930 9.020 -3.326 1.00 0.00 N ATOM 1357 CA GLU A 88 -0.105 9.990 -2.615 1.00 0.00 C ATOM 1358 C GLU A 88 1.119 10.373 -3.441 1.00 0.00 C ATOM 1359 O GLU A 88 1.101 10.299 -4.670 1.00 0.00 O ATOM 1360 CB GLU A 88 0.335 9.424 -1.263 1.00 0.00 C ATOM 1361 CG GLU A 88 0.487 10.481 -0.181 1.00 0.00 C ATOM 1362 CD GLU A 88 1.826 10.404 0.526 1.00 0.00 C ATOM 1363 OE1 GLU A 88 2.231 9.286 0.908 1.00 0.00 O ATOM 1364 OE2 GLU A 88 2.469 11.460 0.697 1.00 0.00 O ATOM 0 H GLU A 88 -0.959 8.095 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.704 10.885 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.393 8.682 -0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.285 8.905 -1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.371 11.470 -0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.313 10.365 0.550 1.00 0.00 H new