USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 382 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 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 57 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Set 2.1: A 32 HIS : no HD1:sc= -0.229 K(o=-0.00078,f=-2.3) USER MOD Set 2.2: A 58 ASN : amide:sc= 0.228 X(o=-0.00078,f=-0.42) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= -0.0178 (180deg=-0.168) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 0:sc= 0.721! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0407 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.255 X(o=-0.26,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.91) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0187 X(o=-0.019,f=-0.07) USER MOD Single : A 64 LYS NZ :NH3+ -140:sc= -0.956 (180deg=-3.51!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.147 USER MOD ----------------------------------------------------------------- ATOM 144 N GLY A 13 -12.774 1.419 -2.570 1.00 0.00 N ATOM 145 CA GLY A 13 -11.353 1.144 -2.668 1.00 0.00 C ATOM 146 C GLY A 13 -10.799 1.439 -4.047 1.00 0.00 C ATOM 147 O GLY A 13 -11.550 1.744 -4.974 1.00 0.00 O ATOM 0 HA2 GLY A 13 -10.819 1.742 -1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.171 0.098 -2.423 1.00 0.00 H new ATOM 151 N CYS A 14 -9.480 1.350 -4.185 1.00 0.00 N ATOM 152 CA CYS A 14 -8.824 1.612 -5.461 1.00 0.00 C ATOM 153 C CYS A 14 -9.042 0.455 -6.431 1.00 0.00 C ATOM 154 O CYS A 14 -9.800 0.572 -7.393 1.00 0.00 O ATOM 155 CB CYS A 14 -7.326 1.840 -5.250 1.00 0.00 C ATOM 156 SG CYS A 14 -6.920 3.439 -4.477 1.00 0.00 S ATOM 0 H CYS A 14 -8.844 1.098 -3.428 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.265 2.512 -5.891 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.931 1.037 -4.628 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.820 1.775 -6.213 1.00 0.00 H new ATOM 161 N GLY A 15 -8.371 -0.664 -6.171 1.00 0.00 N ATOM 162 CA GLY A 15 -8.505 -1.826 -7.030 1.00 0.00 C ATOM 163 C GLY A 15 -7.165 -2.431 -7.399 1.00 0.00 C ATOM 164 O GLY A 15 -6.412 -2.867 -6.528 1.00 0.00 O ATOM 0 H GLY A 15 -7.737 -0.786 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.114 -2.578 -6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.035 -1.543 -7.939 1.00 0.00 H new ATOM 168 N ASP A 16 -6.867 -2.459 -8.693 1.00 0.00 N ATOM 169 CA ASP A 16 -5.608 -3.015 -9.176 1.00 0.00 C ATOM 170 C ASP A 16 -4.692 -1.914 -9.700 1.00 0.00 C ATOM 171 O ASP A 16 -4.584 -1.682 -10.904 1.00 0.00 O ATOM 172 CB ASP A 16 -5.870 -4.044 -10.278 1.00 0.00 C ATOM 173 CG ASP A 16 -6.870 -3.550 -11.305 1.00 0.00 C ATOM 174 OD1 ASP A 16 -8.051 -3.366 -10.942 1.00 0.00 O ATOM 175 OD2 ASP A 16 -6.473 -3.349 -12.472 1.00 0.00 O ATOM 0 H ASP A 16 -7.480 -2.103 -9.427 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.112 -3.507 -8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.931 -4.286 -10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.239 -4.966 -9.830 1.00 0.00 H new ATOM 180 N PRO A 17 -4.016 -1.217 -8.774 1.00 0.00 N ATOM 181 CA PRO A 17 -3.097 -0.127 -9.118 1.00 0.00 C ATOM 182 C PRO A 17 -1.832 -0.631 -9.805 1.00 0.00 C ATOM 183 O PRO A 17 -1.371 -0.046 -10.784 1.00 0.00 O ATOM 184 CB PRO A 17 -2.758 0.493 -7.761 1.00 0.00 C ATOM 185 CG PRO A 17 -2.966 -0.608 -6.779 1.00 0.00 C ATOM 186 CD PRO A 17 -4.096 -1.439 -7.321 1.00 0.00 C ATOM 0 HA PRO A 17 -3.543 0.575 -9.823 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.730 0.856 -7.737 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.402 1.345 -7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.062 -1.206 -6.666 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.211 -0.211 -5.794 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.977 -2.493 -7.068 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.058 -1.121 -6.918 1.00 0.00 H new ATOM 194 N GLY A 18 -1.275 -1.721 -9.284 1.00 0.00 N ATOM 195 CA GLY A 18 -0.069 -2.284 -9.860 1.00 0.00 C ATOM 196 C GLY A 18 0.707 -3.129 -8.869 1.00 0.00 C ATOM 197 O GLY A 18 0.740 -2.824 -7.676 1.00 0.00 O ATOM 0 H GLY A 18 -1.638 -2.223 -8.474 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.333 -2.894 -10.724 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.568 -1.477 -10.222 1.00 0.00 H new ATOM 201 N ILE A 19 1.333 -4.192 -9.361 1.00 0.00 N ATOM 202 CA ILE A 19 2.111 -5.083 -8.510 1.00 0.00 C ATOM 203 C ILE A 19 3.497 -5.330 -9.095 1.00 0.00 C ATOM 204 O ILE A 19 3.665 -5.517 -10.300 1.00 0.00 O ATOM 205 CB ILE A 19 1.401 -6.435 -8.311 1.00 0.00 C ATOM 206 CG1 ILE A 19 0.041 -6.228 -7.642 1.00 0.00 C ATOM 207 CG2 ILE A 19 2.268 -7.372 -7.483 1.00 0.00 C ATOM 208 CD1 ILE A 19 -0.714 -7.516 -7.396 1.00 0.00 C ATOM 0 H ILE A 19 1.317 -4.458 -10.346 1.00 0.00 H new ATOM 0 HA ILE A 19 2.210 -4.589 -7.543 1.00 0.00 H new ATOM 0 HB ILE A 19 1.239 -6.891 -9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.187 -5.715 -6.692 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.567 -5.574 -8.267 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.752 -8.323 -7.351 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.215 -7.540 -7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.459 -6.924 -6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.669 -7.293 -6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.892 -8.021 -8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.126 -8.164 -6.745 1.00 0.00 H new ATOM 220 N PRO A 20 4.516 -5.334 -8.222 1.00 0.00 N ATOM 221 CA PRO A 20 5.906 -5.560 -8.629 1.00 0.00 C ATOM 222 C PRO A 20 6.154 -6.997 -9.074 1.00 0.00 C ATOM 223 O PRO A 20 5.767 -7.944 -8.389 1.00 0.00 O ATOM 224 CB PRO A 20 6.702 -5.248 -7.359 1.00 0.00 C ATOM 225 CG PRO A 20 5.746 -5.493 -6.243 1.00 0.00 C ATOM 226 CD PRO A 20 4.389 -5.118 -6.771 1.00 0.00 C ATOM 0 HA PRO A 20 6.185 -4.946 -9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.581 -5.888 -7.275 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.057 -4.217 -7.357 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.769 -6.537 -5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.004 -4.894 -5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.604 -5.739 -6.339 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.140 -4.083 -6.539 1.00 0.00 H new ATOM 234 N ALA A 21 6.801 -7.153 -10.224 1.00 0.00 N ATOM 235 CA ALA A 21 7.102 -8.475 -10.758 1.00 0.00 C ATOM 236 C ALA A 21 8.381 -9.036 -10.146 1.00 0.00 C ATOM 237 O ALA A 21 9.011 -9.930 -10.711 1.00 0.00 O ATOM 238 CB ALA A 21 7.222 -8.417 -12.274 1.00 0.00 C ATOM 0 H ALA A 21 7.127 -6.380 -10.804 1.00 0.00 H new ATOM 0 HA ALA A 21 6.281 -9.142 -10.494 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.447 -9.411 -12.659 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.282 -8.067 -12.700 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.023 -7.731 -12.550 1.00 0.00 H new ATOM 244 N TYR A 22 8.759 -8.506 -8.988 1.00 0.00 N ATOM 245 CA TYR A 22 9.965 -8.952 -8.301 1.00 0.00 C ATOM 246 C TYR A 22 9.634 -9.482 -6.909 1.00 0.00 C ATOM 247 O TYR A 22 10.488 -10.047 -6.228 1.00 0.00 O ATOM 248 CB TYR A 22 10.971 -7.806 -8.196 1.00 0.00 C ATOM 249 CG TYR A 22 11.346 -7.204 -9.532 1.00 0.00 C ATOM 250 CD1 TYR A 22 10.477 -6.350 -10.199 1.00 0.00 C ATOM 251 CD2 TYR A 22 12.569 -7.490 -10.126 1.00 0.00 C ATOM 252 CE1 TYR A 22 10.814 -5.799 -11.420 1.00 0.00 C ATOM 253 CE2 TYR A 22 12.915 -6.942 -11.346 1.00 0.00 C ATOM 254 CZ TYR A 22 12.035 -6.098 -11.989 1.00 0.00 C ATOM 255 OH TYR A 22 12.375 -5.550 -13.205 1.00 0.00 O ATOM 0 H TYR A 22 8.248 -7.767 -8.506 1.00 0.00 H new ATOM 0 HA TYR A 22 10.406 -9.761 -8.883 1.00 0.00 H new ATOM 0 HB2 TYR A 22 10.554 -7.025 -7.559 1.00 0.00 H new ATOM 0 HB3 TYR A 22 11.873 -8.170 -7.705 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.521 -6.113 -9.755 1.00 0.00 H new ATOM 0 HD2 TYR A 22 13.261 -8.152 -9.626 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.126 -5.138 -11.926 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.870 -7.174 -11.794 1.00 0.00 H new ATOM 0 HH TYR A 22 13.268 -5.860 -13.465 1.00 0.00 H new ATOM 265 N GLY A 23 8.385 -9.296 -6.493 1.00 0.00 N ATOM 266 CA GLY A 23 7.961 -9.761 -5.185 1.00 0.00 C ATOM 267 C GLY A 23 6.473 -10.043 -5.125 1.00 0.00 C ATOM 268 O GLY A 23 5.787 -10.022 -6.147 1.00 0.00 O ATOM 0 H GLY A 23 7.659 -8.832 -7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.510 -10.667 -4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.216 -9.011 -4.436 1.00 0.00 H new ATOM 272 N LYS A 24 5.971 -10.309 -3.923 1.00 0.00 N ATOM 273 CA LYS A 24 4.555 -10.598 -3.732 1.00 0.00 C ATOM 274 C LYS A 24 3.865 -9.462 -2.984 1.00 0.00 C ATOM 275 O LYS A 24 4.511 -8.505 -2.556 1.00 0.00 O ATOM 276 CB LYS A 24 4.380 -11.909 -2.962 1.00 0.00 C ATOM 277 CG LYS A 24 4.516 -13.147 -3.832 1.00 0.00 C ATOM 278 CD LYS A 24 4.983 -14.347 -3.025 1.00 0.00 C ATOM 279 CE LYS A 24 5.226 -15.557 -3.914 1.00 0.00 C ATOM 280 NZ LYS A 24 3.996 -15.959 -4.652 1.00 0.00 N ATOM 0 H LYS A 24 6.525 -10.330 -3.067 1.00 0.00 H new ATOM 0 HA LYS A 24 4.094 -10.697 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.120 -11.953 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.399 -11.914 -2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.557 -13.372 -4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.224 -12.951 -4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.901 -14.095 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.235 -14.593 -2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.019 -15.331 -4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.573 -16.392 -3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.152 -16.879 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.201 -16.035 -3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.775 -15.244 -5.374 1.00 0.00 H new ATOM 294 N ARG A 25 2.550 -9.574 -2.829 1.00 0.00 N ATOM 295 CA ARG A 25 1.773 -8.556 -2.132 1.00 0.00 C ATOM 296 C ARG A 25 1.231 -9.095 -0.811 1.00 0.00 C ATOM 297 O ARG A 25 1.026 -10.299 -0.656 1.00 0.00 O ATOM 298 CB ARG A 25 0.617 -8.076 -3.012 1.00 0.00 C ATOM 299 CG ARG A 25 0.213 -6.634 -2.754 1.00 0.00 C ATOM 300 CD ARG A 25 -0.922 -6.200 -3.668 1.00 0.00 C ATOM 301 NE ARG A 25 -0.972 -4.750 -3.829 1.00 0.00 N ATOM 302 CZ ARG A 25 -1.882 -4.123 -4.566 1.00 0.00 C ATOM 303 NH1 ARG A 25 -2.813 -4.816 -5.206 1.00 0.00 N ATOM 304 NH2 ARG A 25 -1.862 -2.800 -4.663 1.00 0.00 N ATOM 0 H ARG A 25 2.000 -10.360 -3.177 1.00 0.00 H new ATOM 0 HA ARG A 25 2.432 -7.715 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.900 -8.183 -4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.246 -8.721 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.093 -6.522 -1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.073 -5.982 -2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.800 -6.669 -4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.870 -6.552 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.269 -4.187 -3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.832 -5.833 -5.133 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.511 -4.332 -5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.147 -2.263 -4.171 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.561 -2.320 -5.229 1.00 0.00 H new ATOM 318 N THR A 26 1.001 -8.195 0.140 1.00 0.00 N ATOM 319 CA THR A 26 0.486 -8.579 1.447 1.00 0.00 C ATOM 320 C THR A 26 -0.979 -8.184 1.598 1.00 0.00 C ATOM 321 O THR A 26 -1.335 -7.411 2.486 1.00 0.00 O ATOM 322 CB THR A 26 1.299 -7.932 2.584 1.00 0.00 C ATOM 323 OG1 THR A 26 2.666 -7.780 2.183 1.00 0.00 O ATOM 324 CG2 THR A 26 1.228 -8.775 3.848 1.00 0.00 C ATOM 0 H THR A 26 1.164 -7.194 0.028 1.00 0.00 H new ATOM 0 HA THR A 26 0.577 -9.663 1.516 1.00 0.00 H new ATOM 0 HB THR A 26 0.871 -6.952 2.795 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.176 -7.366 2.910 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.810 -8.298 4.637 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.190 -8.866 4.167 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.634 -9.767 3.647 1.00 0.00 H new ATOM 332 N GLY A 27 -1.825 -8.722 0.725 1.00 0.00 N ATOM 333 CA GLY A 27 -3.242 -8.414 0.779 1.00 0.00 C ATOM 334 C GLY A 27 -3.902 -8.478 -0.584 1.00 0.00 C ATOM 335 O GLY A 27 -3.375 -7.947 -1.562 1.00 0.00 O ATOM 0 H GLY A 27 -1.554 -9.366 -0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.737 -9.114 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.378 -7.417 1.199 1.00 0.00 H new ATOM 339 N SER A 28 -5.058 -9.131 -0.651 1.00 0.00 N ATOM 340 CA SER A 28 -5.788 -9.267 -1.906 1.00 0.00 C ATOM 341 C SER A 28 -7.003 -8.344 -1.931 1.00 0.00 C ATOM 342 O SER A 28 -7.753 -8.314 -2.906 1.00 0.00 O ATOM 343 CB SER A 28 -6.231 -10.718 -2.107 1.00 0.00 C ATOM 344 OG SER A 28 -7.208 -10.815 -3.129 1.00 0.00 O ATOM 0 H SER A 28 -5.509 -9.574 0.149 1.00 0.00 H new ATOM 0 HA SER A 28 -5.121 -8.982 -2.719 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.368 -11.333 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.635 -11.111 -1.174 1.00 0.00 H new ATOM 0 HG SER A 28 -7.388 -9.924 -3.495 1.00 0.00 H new ATOM 350 N SER A 29 -7.190 -7.594 -0.850 1.00 0.00 N ATOM 351 CA SER A 29 -8.315 -6.672 -0.745 1.00 0.00 C ATOM 352 C SER A 29 -7.834 -5.224 -0.751 1.00 0.00 C ATOM 353 O SER A 29 -6.805 -4.897 -0.158 1.00 0.00 O ATOM 354 CB SER A 29 -9.113 -6.951 0.531 1.00 0.00 C ATOM 355 OG SER A 29 -9.510 -8.310 0.597 1.00 0.00 O ATOM 0 H SER A 29 -6.577 -7.607 -0.035 1.00 0.00 H new ATOM 0 HA SER A 29 -8.960 -6.826 -1.610 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.509 -6.703 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.994 -6.310 0.560 1.00 0.00 H new ATOM 0 HG SER A 29 -10.017 -8.463 1.422 1.00 0.00 H new ATOM 361 N PHE A 30 -8.586 -4.361 -1.425 1.00 0.00 N ATOM 362 CA PHE A 30 -8.237 -2.947 -1.510 1.00 0.00 C ATOM 363 C PHE A 30 -9.461 -2.069 -1.265 1.00 0.00 C ATOM 364 O PHE A 30 -10.347 -1.968 -2.115 1.00 0.00 O ATOM 365 CB PHE A 30 -7.634 -2.630 -2.880 1.00 0.00 C ATOM 366 CG PHE A 30 -6.897 -3.787 -3.492 1.00 0.00 C ATOM 367 CD1 PHE A 30 -5.739 -4.275 -2.909 1.00 0.00 C ATOM 368 CD2 PHE A 30 -7.362 -4.386 -4.652 1.00 0.00 C ATOM 369 CE1 PHE A 30 -5.058 -5.339 -3.470 1.00 0.00 C ATOM 370 CE2 PHE A 30 -6.687 -5.451 -5.216 1.00 0.00 C ATOM 371 CZ PHE A 30 -5.532 -5.928 -4.626 1.00 0.00 C ATOM 0 H PHE A 30 -9.441 -4.615 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.498 -2.734 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.431 -2.319 -3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.952 -1.786 -2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.364 -3.819 -2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.262 -4.016 -5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.156 -5.709 -3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.062 -5.911 -6.118 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.002 -6.759 -5.067 1.00 0.00 H new ATOM 381 N LEU A 31 -9.504 -1.437 -0.098 1.00 0.00 N ATOM 382 CA LEU A 31 -10.619 -0.567 0.261 1.00 0.00 C ATOM 383 C LEU A 31 -10.155 0.878 0.415 1.00 0.00 C ATOM 384 O LEU A 31 -8.958 1.163 0.386 1.00 0.00 O ATOM 385 CB LEU A 31 -11.269 -1.048 1.559 1.00 0.00 C ATOM 386 CG LEU A 31 -12.316 -2.154 1.417 1.00 0.00 C ATOM 387 CD1 LEU A 31 -12.664 -2.737 2.777 1.00 0.00 C ATOM 388 CD2 LEU A 31 -13.564 -1.622 0.727 1.00 0.00 C ATOM 0 H LEU A 31 -8.780 -1.510 0.616 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.354 -0.609 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.483 -1.403 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.737 -0.193 2.046 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.896 -2.949 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.410 -3.522 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.767 -3.156 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.064 -1.952 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.298 -2.423 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.987 -0.808 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.302 -1.253 -0.265 1.00 0.00 H new ATOM 400 N HIS A 32 -11.111 1.786 0.581 1.00 0.00 N ATOM 401 CA HIS A 32 -10.800 3.202 0.744 1.00 0.00 C ATOM 402 C HIS A 32 -9.972 3.435 2.003 1.00 0.00 C ATOM 403 O HIS A 32 -10.437 3.199 3.117 1.00 0.00 O ATOM 404 CB HIS A 32 -12.088 4.025 0.806 1.00 0.00 C ATOM 405 CG HIS A 32 -12.785 4.148 -0.514 1.00 0.00 C ATOM 406 ND1 HIS A 32 -14.155 4.077 -0.651 1.00 0.00 N ATOM 407 CD2 HIS A 32 -12.292 4.341 -1.760 1.00 0.00 C ATOM 408 CE1 HIS A 32 -14.475 4.219 -1.925 1.00 0.00 C ATOM 409 NE2 HIS A 32 -13.363 4.381 -2.619 1.00 0.00 N ATOM 0 H HIS A 32 -12.107 1.567 0.606 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.215 3.522 -0.118 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.767 3.567 1.525 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.854 5.022 1.178 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.251 4.444 -2.028 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -15.476 4.205 -2.330 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -13.308 4.514 -3.629 1.00 0.00 H new ATOM 417 N GLY A 33 -8.740 3.901 1.818 1.00 0.00 N ATOM 418 CA GLY A 33 -7.866 4.157 2.948 1.00 0.00 C ATOM 419 C GLY A 33 -6.938 2.995 3.239 1.00 0.00 C ATOM 420 O GLY A 33 -5.895 3.167 3.870 1.00 0.00 O ATOM 0 H GLY A 33 -8.332 4.106 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.273 5.050 2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.470 4.365 3.831 1.00 0.00 H new ATOM 424 N ASP A 34 -7.317 1.808 2.778 1.00 0.00 N ATOM 425 CA ASP A 34 -6.511 0.612 2.992 1.00 0.00 C ATOM 426 C ASP A 34 -5.062 0.852 2.580 1.00 0.00 C ATOM 427 O ASP A 34 -4.780 1.680 1.713 1.00 0.00 O ATOM 428 CB ASP A 34 -7.089 -0.566 2.207 1.00 0.00 C ATOM 429 CG ASP A 34 -6.410 -1.878 2.547 1.00 0.00 C ATOM 430 OD1 ASP A 34 -6.695 -2.430 3.631 1.00 0.00 O ATOM 431 OD2 ASP A 34 -5.593 -2.353 1.731 1.00 0.00 O ATOM 0 H ASP A 34 -8.177 1.649 2.254 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.533 0.375 4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.156 -0.648 2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.986 -0.373 1.139 1.00 0.00 H new ATOM 436 N THR A 35 -4.144 0.123 3.209 1.00 0.00 N ATOM 437 CA THR A 35 -2.725 0.258 2.909 1.00 0.00 C ATOM 438 C THR A 35 -2.147 -1.051 2.383 1.00 0.00 C ATOM 439 O THR A 35 -2.327 -2.109 2.988 1.00 0.00 O ATOM 440 CB THR A 35 -1.927 0.695 4.153 1.00 0.00 C ATOM 441 OG1 THR A 35 -2.500 0.115 5.330 1.00 0.00 O ATOM 442 CG2 THR A 35 -1.915 2.211 4.282 1.00 0.00 C ATOM 0 H THR A 35 -4.359 -0.567 3.929 1.00 0.00 H new ATOM 0 HA THR A 35 -2.636 1.026 2.141 1.00 0.00 H new ATOM 0 HB THR A 35 -0.900 0.348 4.041 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.987 0.396 6.116 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.346 2.496 5.167 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.453 2.648 3.397 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.938 2.576 4.375 1.00 0.00 H new ATOM 450 N LEU A 36 -1.451 -0.974 1.255 1.00 0.00 N ATOM 451 CA LEU A 36 -0.845 -2.154 0.647 1.00 0.00 C ATOM 452 C LEU A 36 0.677 -2.053 0.662 1.00 0.00 C ATOM 453 O LEU A 36 1.259 -1.173 0.027 1.00 0.00 O ATOM 454 CB LEU A 36 -1.342 -2.324 -0.790 1.00 0.00 C ATOM 455 CG LEU A 36 -2.767 -2.855 -0.948 1.00 0.00 C ATOM 456 CD1 LEU A 36 -3.380 -2.359 -2.248 1.00 0.00 C ATOM 457 CD2 LEU A 36 -2.777 -4.376 -0.898 1.00 0.00 C ATOM 0 H LEU A 36 -1.292 -0.107 0.742 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.139 -3.025 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.277 -1.359 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.664 -3.000 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.369 -2.480 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.394 -2.747 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.407 -1.269 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.779 -2.705 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.799 -4.737 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.161 -4.771 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.378 -4.711 0.060 1.00 0.00 H new ATOM 469 N THR A 37 1.318 -2.962 1.391 1.00 0.00 N ATOM 470 CA THR A 37 2.772 -2.976 1.488 1.00 0.00 C ATOM 471 C THR A 37 3.376 -4.014 0.548 1.00 0.00 C ATOM 472 O THR A 37 2.685 -4.919 0.080 1.00 0.00 O ATOM 473 CB THR A 37 3.236 -3.272 2.927 1.00 0.00 C ATOM 474 OG1 THR A 37 2.559 -2.410 3.847 1.00 0.00 O ATOM 475 CG2 THR A 37 4.740 -3.083 3.060 1.00 0.00 C ATOM 0 H THR A 37 0.853 -3.698 1.923 1.00 0.00 H new ATOM 0 HA THR A 37 3.118 -1.983 1.199 1.00 0.00 H new ATOM 0 HB THR A 37 2.994 -4.310 3.157 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.858 -2.606 4.759 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.044 -3.298 4.084 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.254 -3.762 2.379 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.001 -2.054 2.812 1.00 0.00 H new ATOM 483 N PHE A 38 4.669 -3.877 0.276 1.00 0.00 N ATOM 484 CA PHE A 38 5.366 -4.803 -0.609 1.00 0.00 C ATOM 485 C PHE A 38 6.722 -5.194 -0.028 1.00 0.00 C ATOM 486 O PHE A 38 7.326 -4.436 0.729 1.00 0.00 O ATOM 487 CB PHE A 38 5.553 -4.177 -1.993 1.00 0.00 C ATOM 488 CG PHE A 38 4.288 -3.608 -2.569 1.00 0.00 C ATOM 489 CD1 PHE A 38 3.786 -2.399 -2.115 1.00 0.00 C ATOM 490 CD2 PHE A 38 3.600 -4.283 -3.565 1.00 0.00 C ATOM 491 CE1 PHE A 38 2.622 -1.874 -2.643 1.00 0.00 C ATOM 492 CE2 PHE A 38 2.436 -3.763 -4.097 1.00 0.00 C ATOM 493 CZ PHE A 38 1.946 -2.556 -3.636 1.00 0.00 C ATOM 0 H PHE A 38 5.256 -3.134 0.656 1.00 0.00 H new ATOM 0 HA PHE A 38 4.758 -5.703 -0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.301 -3.387 -1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.946 -4.932 -2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.311 -1.861 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.978 -5.227 -3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.241 -0.931 -2.280 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.909 -4.299 -4.873 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.037 -2.147 -4.051 1.00 0.00 H new ATOM 503 N GLU A 39 7.193 -6.384 -0.390 1.00 0.00 N ATOM 504 CA GLU A 39 8.476 -6.876 0.097 1.00 0.00 C ATOM 505 C GLU A 39 9.212 -7.648 -0.995 1.00 0.00 C ATOM 506 O GLU A 39 8.593 -8.312 -1.827 1.00 0.00 O ATOM 507 CB GLU A 39 8.273 -7.772 1.321 1.00 0.00 C ATOM 508 CG GLU A 39 7.965 -7.002 2.594 1.00 0.00 C ATOM 509 CD GLU A 39 7.994 -7.881 3.829 1.00 0.00 C ATOM 510 OE1 GLU A 39 8.861 -8.777 3.898 1.00 0.00 O ATOM 511 OE2 GLU A 39 7.151 -7.673 4.726 1.00 0.00 O ATOM 0 H GLU A 39 6.706 -7.024 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 39 9.082 -6.016 0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.458 -8.467 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.171 -8.370 1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.688 -6.195 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.982 -6.539 2.505 1.00 0.00 H new ATOM 518 N CYS A 40 10.538 -7.555 -0.986 1.00 0.00 N ATOM 519 CA CYS A 40 11.360 -8.242 -1.975 1.00 0.00 C ATOM 520 C CYS A 40 12.306 -9.232 -1.302 1.00 0.00 C ATOM 521 O CYS A 40 12.673 -9.084 -0.136 1.00 0.00 O ATOM 522 CB CYS A 40 12.162 -7.229 -2.794 1.00 0.00 C ATOM 523 SG CYS A 40 11.339 -5.617 -2.995 1.00 0.00 S ATOM 0 H CYS A 40 11.066 -7.010 -0.304 1.00 0.00 H new ATOM 0 HA CYS A 40 10.698 -8.795 -2.641 1.00 0.00 H new ATOM 0 HB2 CYS A 40 13.129 -7.074 -2.315 1.00 0.00 H new ATOM 0 HB3 CYS A 40 12.359 -7.650 -3.780 1.00 0.00 H new ATOM 528 N PRO A 41 12.712 -10.267 -2.053 1.00 0.00 N ATOM 529 CA PRO A 41 13.621 -11.301 -1.551 1.00 0.00 C ATOM 530 C PRO A 41 15.036 -10.774 -1.337 1.00 0.00 C ATOM 531 O PRO A 41 15.303 -9.589 -1.530 1.00 0.00 O ATOM 532 CB PRO A 41 13.605 -12.356 -2.660 1.00 0.00 C ATOM 533 CG PRO A 41 13.242 -11.604 -3.893 1.00 0.00 C ATOM 534 CD PRO A 41 12.315 -10.506 -3.451 1.00 0.00 C ATOM 0 HA PRO A 41 13.309 -11.681 -0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.577 -12.838 -2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.880 -13.142 -2.448 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.129 -11.195 -4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.756 -12.256 -4.619 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.433 -9.610 -4.061 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.270 -10.807 -3.526 1.00 0.00 H new ATOM 542 N ALA A 42 15.940 -11.664 -0.938 1.00 0.00 N ATOM 543 CA ALA A 42 17.328 -11.289 -0.701 1.00 0.00 C ATOM 544 C ALA A 42 18.003 -10.836 -1.991 1.00 0.00 C ATOM 545 O ALA A 42 17.547 -11.159 -3.087 1.00 0.00 O ATOM 546 CB ALA A 42 18.091 -12.452 -0.084 1.00 0.00 C ATOM 0 H ALA A 42 15.735 -12.649 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 42 17.338 -10.451 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 42 19.126 -12.158 0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 42 17.630 -12.727 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 42 18.064 -13.305 -0.762 1.00 0.00 H new ATOM 552 N ALA A 43 19.091 -10.085 -1.852 1.00 0.00 N ATOM 553 CA ALA A 43 19.829 -9.589 -3.007 1.00 0.00 C ATOM 554 C ALA A 43 19.042 -8.506 -3.737 1.00 0.00 C ATOM 555 O ALA A 43 18.995 -8.482 -4.968 1.00 0.00 O ATOM 556 CB ALA A 43 20.159 -10.734 -3.954 1.00 0.00 C ATOM 0 H ALA A 43 19.481 -9.807 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 43 20.760 -9.147 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 43 20.710 -10.349 -4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 43 20.768 -11.473 -3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 43 19.235 -11.201 -4.296 1.00 0.00 H new ATOM 562 N PHE A 44 18.424 -7.613 -2.972 1.00 0.00 N ATOM 563 CA PHE A 44 17.637 -6.528 -3.547 1.00 0.00 C ATOM 564 C PHE A 44 17.407 -5.421 -2.523 1.00 0.00 C ATOM 565 O PHE A 44 17.825 -5.531 -1.371 1.00 0.00 O ATOM 566 CB PHE A 44 16.293 -7.057 -4.053 1.00 0.00 C ATOM 567 CG PHE A 44 16.403 -7.859 -5.318 1.00 0.00 C ATOM 568 CD1 PHE A 44 16.745 -7.249 -6.514 1.00 0.00 C ATOM 569 CD2 PHE A 44 16.164 -9.224 -5.311 1.00 0.00 C ATOM 570 CE1 PHE A 44 16.846 -7.986 -7.679 1.00 0.00 C ATOM 571 CE2 PHE A 44 16.264 -9.966 -6.473 1.00 0.00 C ATOM 572 CZ PHE A 44 16.606 -9.346 -7.659 1.00 0.00 C ATOM 0 H PHE A 44 18.453 -7.619 -1.952 1.00 0.00 H new ATOM 0 HA PHE A 44 18.196 -6.113 -4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.840 -7.676 -3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 44 15.621 -6.216 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 44 16.935 -6.186 -6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 44 15.896 -9.714 -4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 44 17.113 -7.498 -8.605 1.00 0.00 H new ATOM 0 HE2 PHE A 44 16.075 -11.029 -6.454 1.00 0.00 H new ATOM 0 HZ PHE A 44 16.686 -9.923 -8.568 1.00 0.00 H new ATOM 582 N GLU A 45 16.740 -4.354 -2.953 1.00 0.00 N ATOM 583 CA GLU A 45 16.456 -3.226 -2.073 1.00 0.00 C ATOM 584 C GLU A 45 15.118 -2.583 -2.428 1.00 0.00 C ATOM 585 O GLU A 45 14.565 -2.825 -3.502 1.00 0.00 O ATOM 586 CB GLU A 45 17.574 -2.186 -2.164 1.00 0.00 C ATOM 587 CG GLU A 45 17.506 -1.122 -1.081 1.00 0.00 C ATOM 588 CD GLU A 45 17.435 -1.714 0.313 1.00 0.00 C ATOM 589 OE1 GLU A 45 18.493 -2.109 0.845 1.00 0.00 O ATOM 590 OE2 GLU A 45 16.320 -1.781 0.873 1.00 0.00 O ATOM 0 H GLU A 45 16.387 -4.247 -3.904 1.00 0.00 H new ATOM 0 HA GLU A 45 16.400 -3.600 -1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 45 18.537 -2.694 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.530 -1.702 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.382 -0.478 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.632 -0.492 -1.249 1.00 0.00 H new ATOM 597 N LEU A 46 14.603 -1.763 -1.519 1.00 0.00 N ATOM 598 CA LEU A 46 13.330 -1.084 -1.734 1.00 0.00 C ATOM 599 C LEU A 46 13.546 0.306 -2.322 1.00 0.00 C ATOM 600 O LEU A 46 13.935 1.237 -1.615 1.00 0.00 O ATOM 601 CB LEU A 46 12.556 -0.980 -0.418 1.00 0.00 C ATOM 602 CG LEU A 46 11.042 -0.807 -0.542 1.00 0.00 C ATOM 603 CD1 LEU A 46 10.356 -2.162 -0.624 1.00 0.00 C ATOM 604 CD2 LEU A 46 10.500 -0.003 0.631 1.00 0.00 C ATOM 0 H LEU A 46 15.047 -1.552 -0.626 1.00 0.00 H new ATOM 0 HA LEU A 46 12.749 -1.672 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.752 -1.878 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.953 -0.137 0.148 1.00 0.00 H new ATOM 0 HG LEU A 46 10.831 -0.259 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.279 -2.020 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.723 -2.703 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.574 -2.735 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.421 0.111 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.722 -0.524 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.969 0.981 0.645 1.00 0.00 H new ATOM 616 N VAL A 47 13.290 0.441 -3.619 1.00 0.00 N ATOM 617 CA VAL A 47 13.453 1.719 -4.301 1.00 0.00 C ATOM 618 C VAL A 47 12.104 2.380 -4.561 1.00 0.00 C ATOM 619 O VAL A 47 11.716 2.592 -5.709 1.00 0.00 O ATOM 620 CB VAL A 47 14.196 1.550 -5.640 1.00 0.00 C ATOM 621 CG1 VAL A 47 14.432 2.902 -6.295 1.00 0.00 C ATOM 622 CG2 VAL A 47 15.510 0.813 -5.430 1.00 0.00 C ATOM 0 H VAL A 47 12.969 -0.319 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 47 14.045 2.355 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 47 13.574 0.954 -6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 47 14.958 2.762 -7.239 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.474 3.388 -6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.033 3.526 -5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.022 0.702 -6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 47 16.140 1.380 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.311 -0.172 -5.009 1.00 0.00 H new ATOM 632 N GLY A 48 11.393 2.705 -3.485 1.00 0.00 N ATOM 633 CA GLY A 48 10.095 3.339 -3.618 1.00 0.00 C ATOM 634 C GLY A 48 9.303 3.314 -2.326 1.00 0.00 C ATOM 635 O GLY A 48 9.835 2.970 -1.271 1.00 0.00 O ATOM 0 H GLY A 48 11.693 2.540 -2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.230 4.372 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.526 2.835 -4.399 1.00 0.00 H new ATOM 639 N GLU A 49 8.028 3.682 -2.407 1.00 0.00 N ATOM 640 CA GLU A 49 7.163 3.703 -1.234 1.00 0.00 C ATOM 641 C GLU A 49 6.829 2.285 -0.779 1.00 0.00 C ATOM 642 O GLU A 49 6.007 1.603 -1.392 1.00 0.00 O ATOM 643 CB GLU A 49 5.874 4.470 -1.536 1.00 0.00 C ATOM 644 CG GLU A 49 5.395 4.314 -2.970 1.00 0.00 C ATOM 645 CD GLU A 49 6.000 5.344 -3.903 1.00 0.00 C ATOM 646 OE1 GLU A 49 5.825 6.554 -3.647 1.00 0.00 O ATOM 647 OE2 GLU A 49 6.650 4.940 -4.890 1.00 0.00 O ATOM 0 H GLU A 49 7.572 3.970 -3.273 1.00 0.00 H new ATOM 0 HA GLU A 49 7.698 4.208 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.090 4.127 -0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.033 5.528 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.646 3.315 -3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.309 4.398 -2.997 1.00 0.00 H new ATOM 654 N ARG A 50 7.472 1.848 0.298 1.00 0.00 N ATOM 655 CA ARG A 50 7.245 0.511 0.834 1.00 0.00 C ATOM 656 C ARG A 50 5.754 0.189 0.878 1.00 0.00 C ATOM 657 O ARG A 50 5.347 -0.949 0.644 1.00 0.00 O ATOM 658 CB ARG A 50 7.845 0.393 2.237 1.00 0.00 C ATOM 659 CG ARG A 50 6.928 0.904 3.336 1.00 0.00 C ATOM 660 CD ARG A 50 7.536 0.688 4.713 1.00 0.00 C ATOM 661 NE ARG A 50 8.764 1.458 4.897 1.00 0.00 N ATOM 662 CZ ARG A 50 9.659 1.199 5.843 1.00 0.00 C ATOM 663 NH1 ARG A 50 9.465 0.195 6.687 1.00 0.00 N ATOM 664 NH2 ARG A 50 10.752 1.945 5.946 1.00 0.00 N ATOM 0 H ARG A 50 8.155 2.400 0.817 1.00 0.00 H new ATOM 0 HA ARG A 50 7.735 -0.206 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.086 -0.652 2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.782 0.948 2.270 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.734 1.966 3.185 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.967 0.393 3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.812 0.972 5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.748 -0.372 4.853 1.00 0.00 H new ATOM 0 HE ARG A 50 8.944 2.237 4.264 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.627 -0.381 6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.154 -0.002 7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.905 2.718 5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.439 1.745 6.673 1.00 0.00 H new ATOM 678 N VAL A 51 4.944 1.199 1.180 1.00 0.00 N ATOM 679 CA VAL A 51 3.499 1.024 1.254 1.00 0.00 C ATOM 680 C VAL A 51 2.769 2.240 0.694 1.00 0.00 C ATOM 681 O VAL A 51 3.329 3.333 0.621 1.00 0.00 O ATOM 682 CB VAL A 51 3.036 0.783 2.703 1.00 0.00 C ATOM 683 CG1 VAL A 51 3.630 1.829 3.634 1.00 0.00 C ATOM 684 CG2 VAL A 51 1.517 0.785 2.784 1.00 0.00 C ATOM 0 H VAL A 51 5.265 2.147 1.377 1.00 0.00 H new ATOM 0 HA VAL A 51 3.255 0.148 0.652 1.00 0.00 H new ATOM 0 HB VAL A 51 3.392 -0.196 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.292 1.643 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.718 1.773 3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.306 2.821 3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.207 0.613 3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.136 1.749 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.118 -0.006 2.149 1.00 0.00 H new ATOM 694 N ILE A 52 1.515 2.041 0.302 1.00 0.00 N ATOM 695 CA ILE A 52 0.707 3.122 -0.250 1.00 0.00 C ATOM 696 C ILE A 52 -0.671 3.165 0.401 1.00 0.00 C ATOM 697 O ILE A 52 -1.098 2.204 1.043 1.00 0.00 O ATOM 698 CB ILE A 52 0.539 2.978 -1.774 1.00 0.00 C ATOM 699 CG1 ILE A 52 0.134 1.546 -2.131 1.00 0.00 C ATOM 700 CG2 ILE A 52 1.825 3.364 -2.488 1.00 0.00 C ATOM 701 CD1 ILE A 52 -0.469 1.415 -3.512 1.00 0.00 C ATOM 0 H ILE A 52 1.037 1.142 0.356 1.00 0.00 H new ATOM 0 HA ILE A 52 1.236 4.051 -0.038 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.252 3.652 -2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.011 0.902 -2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.584 1.186 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.690 3.257 -3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.074 4.399 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.634 2.713 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.732 0.374 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.365 2.033 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.255 1.744 -4.258 1.00 0.00 H new ATOM 713 N THR A 53 -1.366 4.286 0.230 1.00 0.00 N ATOM 714 CA THR A 53 -2.697 4.455 0.800 1.00 0.00 C ATOM 715 C THR A 53 -3.700 4.883 -0.265 1.00 0.00 C ATOM 716 O THR A 53 -3.411 5.746 -1.094 1.00 0.00 O ATOM 717 CB THR A 53 -2.694 5.496 1.935 1.00 0.00 C ATOM 718 OG1 THR A 53 -1.639 5.210 2.860 1.00 0.00 O ATOM 719 CG2 THR A 53 -4.028 5.503 2.666 1.00 0.00 C ATOM 0 H THR A 53 -1.029 5.090 -0.299 1.00 0.00 H new ATOM 0 HA THR A 53 -2.993 3.488 1.206 1.00 0.00 H new ATOM 0 HB THR A 53 -2.533 6.480 1.495 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.643 5.878 3.577 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.002 6.246 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.826 5.750 1.965 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.214 4.518 3.094 1.00 0.00 H new ATOM 727 N CYS A 54 -4.881 4.275 -0.237 1.00 0.00 N ATOM 728 CA CYS A 54 -5.929 4.593 -1.199 1.00 0.00 C ATOM 729 C CYS A 54 -6.770 5.772 -0.718 1.00 0.00 C ATOM 730 O CYS A 54 -7.572 5.638 0.205 1.00 0.00 O ATOM 731 CB CYS A 54 -6.824 3.374 -1.432 1.00 0.00 C ATOM 732 SG CYS A 54 -8.008 3.572 -2.802 1.00 0.00 S ATOM 0 H CYS A 54 -5.136 3.558 0.442 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.452 4.870 -2.139 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.194 2.507 -1.633 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.376 3.162 -0.517 1.00 0.00 H new ATOM 737 N GLN A 55 -6.579 6.925 -1.351 1.00 0.00 N ATOM 738 CA GLN A 55 -7.319 8.127 -0.987 1.00 0.00 C ATOM 739 C GLN A 55 -8.823 7.884 -1.062 1.00 0.00 C ATOM 740 O GLN A 55 -9.267 6.797 -1.432 1.00 0.00 O ATOM 741 CB GLN A 55 -6.932 9.288 -1.906 1.00 0.00 C ATOM 742 CG GLN A 55 -5.454 9.317 -2.259 1.00 0.00 C ATOM 743 CD GLN A 55 -4.996 10.680 -2.738 1.00 0.00 C ATOM 744 OE1 GLN A 55 -4.463 11.476 -1.965 1.00 0.00 O ATOM 745 NE2 GLN A 55 -5.201 10.957 -4.021 1.00 0.00 N ATOM 0 H GLN A 55 -5.919 7.052 -2.118 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.061 8.384 0.040 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.515 9.224 -2.825 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.200 10.228 -1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.870 9.028 -1.385 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.255 8.578 -3.035 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.646 10.268 -4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.913 11.859 -4.400 1.00 0.00 H new ATOM 754 N GLN A 56 -9.601 8.902 -0.708 1.00 0.00 N ATOM 755 CA GLN A 56 -11.055 8.797 -0.734 1.00 0.00 C ATOM 756 C GLN A 56 -11.593 9.036 -2.141 1.00 0.00 C ATOM 757 O GLN A 56 -12.802 9.022 -2.364 1.00 0.00 O ATOM 758 CB GLN A 56 -11.677 9.799 0.240 1.00 0.00 C ATOM 759 CG GLN A 56 -11.158 11.217 0.068 1.00 0.00 C ATOM 760 CD GLN A 56 -12.129 12.261 0.584 1.00 0.00 C ATOM 761 OE1 GLN A 56 -12.430 12.310 1.777 1.00 0.00 O ATOM 762 NE2 GLN A 56 -12.625 13.103 -0.315 1.00 0.00 N ATOM 0 H GLN A 56 -9.249 9.808 -0.400 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.327 7.787 -0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -12.759 9.798 0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.481 9.471 1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -10.208 11.318 0.593 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -10.959 11.401 -0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -12.348 13.026 -1.294 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.283 13.827 -0.027 1.00 0.00 H new ATOM 771 N ASN A 57 -10.685 9.255 -3.086 1.00 0.00 N ATOM 772 CA ASN A 57 -11.069 9.498 -4.472 1.00 0.00 C ATOM 773 C ASN A 57 -10.703 8.309 -5.355 1.00 0.00 C ATOM 774 O ASN A 57 -10.100 8.472 -6.415 1.00 0.00 O ATOM 775 CB ASN A 57 -10.389 10.765 -4.997 1.00 0.00 C ATOM 776 CG ASN A 57 -10.958 12.026 -4.376 1.00 0.00 C ATOM 777 OD1 ASN A 57 -11.735 11.966 -3.422 1.00 0.00 O ATOM 778 ND2 ASN A 57 -10.574 13.177 -4.915 1.00 0.00 N ATOM 0 H ASN A 57 -9.679 9.269 -2.918 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.150 9.633 -4.504 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.320 10.712 -4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.503 10.813 -6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.924 14.058 -4.539 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.928 13.180 -5.705 1.00 0.00 H new ATOM 785 N ASN A 58 -11.072 7.113 -4.909 1.00 0.00 N ATOM 786 CA ASN A 58 -10.783 5.895 -5.658 1.00 0.00 C ATOM 787 C ASN A 58 -9.418 5.983 -6.334 1.00 0.00 C ATOM 788 O ASN A 58 -9.254 5.564 -7.479 1.00 0.00 O ATOM 789 CB ASN A 58 -11.869 5.647 -6.707 1.00 0.00 C ATOM 790 CG ASN A 58 -13.234 6.125 -6.250 1.00 0.00 C ATOM 791 OD1 ASN A 58 -13.893 5.474 -5.440 1.00 0.00 O ATOM 792 ND2 ASN A 58 -13.665 7.268 -6.771 1.00 0.00 N ATOM 0 H ASN A 58 -11.572 6.961 -4.033 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.768 5.061 -4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -11.600 6.156 -7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.917 4.582 -6.932 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.576 7.639 -6.503 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.085 7.775 -7.440 1.00 0.00 H new ATOM 799 N GLN A 59 -8.443 6.531 -5.616 1.00 0.00 N ATOM 800 CA GLN A 59 -7.092 6.675 -6.147 1.00 0.00 C ATOM 801 C GLN A 59 -6.051 6.436 -5.058 1.00 0.00 C ATOM 802 O GLN A 59 -6.361 6.487 -3.868 1.00 0.00 O ATOM 803 CB GLN A 59 -6.905 8.067 -6.752 1.00 0.00 C ATOM 804 CG GLN A 59 -5.475 8.578 -6.670 1.00 0.00 C ATOM 805 CD GLN A 59 -5.339 10.009 -7.151 1.00 0.00 C ATOM 806 OE1 GLN A 59 -6.206 10.847 -6.899 1.00 0.00 O ATOM 807 NE2 GLN A 59 -4.246 10.298 -7.848 1.00 0.00 N ATOM 0 H GLN A 59 -8.563 6.882 -4.666 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.953 5.926 -6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.215 8.045 -7.797 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.563 8.769 -6.239 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.128 8.511 -5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.828 7.935 -7.267 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.553 9.573 -8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.100 11.245 -8.197 1.00 0.00 H new ATOM 816 N TRP A 60 -4.817 6.175 -5.474 1.00 0.00 N ATOM 817 CA TRP A 60 -3.730 5.927 -4.533 1.00 0.00 C ATOM 818 C TRP A 60 -2.862 7.169 -4.366 1.00 0.00 C ATOM 819 O TRP A 60 -2.708 7.960 -5.297 1.00 0.00 O ATOM 820 CB TRP A 60 -2.875 4.752 -5.008 1.00 0.00 C ATOM 821 CG TRP A 60 -3.537 3.420 -4.817 1.00 0.00 C ATOM 822 CD1 TRP A 60 -4.222 2.704 -5.757 1.00 0.00 C ATOM 823 CD2 TRP A 60 -3.579 2.649 -3.612 1.00 0.00 C ATOM 824 NE1 TRP A 60 -4.686 1.533 -5.208 1.00 0.00 N ATOM 825 CE2 TRP A 60 -4.304 1.475 -3.894 1.00 0.00 C ATOM 826 CE3 TRP A 60 -3.072 2.834 -2.323 1.00 0.00 C ATOM 827 CZ2 TRP A 60 -4.535 0.494 -2.933 1.00 0.00 C ATOM 828 CZ3 TRP A 60 -3.302 1.860 -1.371 1.00 0.00 C ATOM 829 CH2 TRP A 60 -4.027 0.701 -1.679 1.00 0.00 C ATOM 0 H TRP A 60 -4.544 6.130 -6.456 1.00 0.00 H new ATOM 0 HA TRP A 60 -4.168 5.680 -3.566 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.641 4.885 -6.064 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.928 4.760 -4.469 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.376 3.013 -6.780 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -5.227 0.822 -5.700 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.510 3.723 -2.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -5.095 -0.399 -3.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.916 1.994 -0.371 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.188 -0.043 -0.913 1.00 0.00 H new ATOM 840 N SER A 61 -2.296 7.335 -3.175 1.00 0.00 N ATOM 841 CA SER A 61 -1.446 8.484 -2.886 1.00 0.00 C ATOM 842 C SER A 61 0.002 8.199 -3.276 1.00 0.00 C ATOM 843 O SER A 61 0.864 9.072 -3.183 1.00 0.00 O ATOM 844 CB SER A 61 -1.525 8.843 -1.401 1.00 0.00 C ATOM 845 OG SER A 61 -0.683 8.005 -0.628 1.00 0.00 O ATOM 0 H SER A 61 -2.411 6.688 -2.395 1.00 0.00 H new ATOM 0 HA SER A 61 -1.804 9.328 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.236 9.884 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.554 8.748 -1.055 1.00 0.00 H new ATOM 0 HG SER A 61 -0.750 8.256 0.317 1.00 0.00 H new ATOM 851 N GLY A 62 0.260 6.970 -3.712 1.00 0.00 N ATOM 852 CA GLY A 62 1.604 6.591 -4.109 1.00 0.00 C ATOM 853 C GLY A 62 1.620 5.369 -5.005 1.00 0.00 C ATOM 854 O GLY A 62 0.756 4.500 -4.897 1.00 0.00 O ATOM 0 H GLY A 62 -0.437 6.230 -3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.075 7.425 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.200 6.393 -3.218 1.00 0.00 H new ATOM 858 N ASN A 63 2.606 5.301 -5.893 1.00 0.00 N ATOM 859 CA ASN A 63 2.730 4.176 -6.814 1.00 0.00 C ATOM 860 C ASN A 63 3.528 3.041 -6.180 1.00 0.00 C ATOM 861 O ASN A 63 4.533 3.273 -5.507 1.00 0.00 O ATOM 862 CB ASN A 63 3.404 4.625 -8.112 1.00 0.00 C ATOM 863 CG ASN A 63 2.945 6.000 -8.556 1.00 0.00 C ATOM 864 OD1 ASN A 63 3.575 7.009 -8.240 1.00 0.00 O ATOM 865 ND2 ASN A 63 1.841 6.046 -9.294 1.00 0.00 N ATOM 0 H ASN A 63 3.331 6.011 -5.995 1.00 0.00 H new ATOM 0 HA ASN A 63 1.728 3.811 -7.040 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.485 4.633 -7.973 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.189 3.902 -8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.484 6.943 -9.622 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.351 5.184 -9.532 1.00 0.00 H new ATOM 872 N LYS A 64 3.075 1.811 -6.400 1.00 0.00 N ATOM 873 CA LYS A 64 3.746 0.638 -5.854 1.00 0.00 C ATOM 874 C LYS A 64 5.261 0.799 -5.917 1.00 0.00 C ATOM 875 O LYS A 64 5.810 1.372 -6.859 1.00 0.00 O ATOM 876 CB LYS A 64 3.323 -0.619 -6.617 1.00 0.00 C ATOM 877 CG LYS A 64 3.256 -0.423 -8.122 1.00 0.00 C ATOM 878 CD LYS A 64 4.586 -0.737 -8.785 1.00 0.00 C ATOM 879 CE LYS A 64 4.401 -1.156 -10.236 1.00 0.00 C ATOM 880 NZ LYS A 64 3.372 -2.224 -10.378 1.00 0.00 N ATOM 0 H LYS A 64 2.244 1.601 -6.954 1.00 0.00 H new ATOM 0 HA LYS A 64 3.453 0.536 -4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.025 -1.422 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.346 -0.941 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.480 -1.065 -8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.972 0.606 -8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.233 0.139 -8.738 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.088 -1.534 -8.236 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.110 -0.290 -10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.351 -1.511 -10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.688 -2.919 -11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.235 -2.698 -9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.473 -1.801 -10.687 1.00 0.00 H new ATOM 894 N PRO A 65 5.956 0.281 -4.893 1.00 0.00 N ATOM 895 CA PRO A 65 7.418 0.354 -4.812 1.00 0.00 C ATOM 896 C PRO A 65 8.101 -0.530 -5.850 1.00 0.00 C ATOM 897 O PRO A 65 7.440 -1.143 -6.689 1.00 0.00 O ATOM 898 CB PRO A 65 7.719 -0.151 -3.398 1.00 0.00 C ATOM 899 CG PRO A 65 6.561 -1.021 -3.051 1.00 0.00 C ATOM 900 CD PRO A 65 5.368 -0.415 -3.737 1.00 0.00 C ATOM 0 HA PRO A 65 7.788 1.360 -5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 65 8.655 -0.708 -3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.817 0.676 -2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.727 -2.044 -3.388 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.412 -1.061 -1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.653 -1.177 -4.048 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.835 0.274 -3.082 1.00 0.00 H new ATOM 908 N SER A 66 9.427 -0.592 -5.787 1.00 0.00 N ATOM 909 CA SER A 66 10.200 -1.399 -6.724 1.00 0.00 C ATOM 910 C SER A 66 11.317 -2.148 -6.003 1.00 0.00 C ATOM 911 O SER A 66 11.696 -1.796 -4.886 1.00 0.00 O ATOM 912 CB SER A 66 10.790 -0.515 -7.824 1.00 0.00 C ATOM 913 OG SER A 66 9.799 0.325 -8.390 1.00 0.00 O ATOM 0 H SER A 66 9.989 -0.093 -5.097 1.00 0.00 H new ATOM 0 HA SER A 66 9.529 -2.130 -7.176 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.595 0.094 -7.413 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.228 -1.141 -8.602 1.00 0.00 H new ATOM 0 HG SER A 66 10.202 0.881 -9.089 1.00 0.00 H new ATOM 919 N CYS A 67 11.841 -3.183 -6.651 1.00 0.00 N ATOM 920 CA CYS A 67 12.914 -3.983 -6.075 1.00 0.00 C ATOM 921 C CYS A 67 14.131 -4.005 -6.995 1.00 0.00 C ATOM 922 O CYS A 67 14.061 -4.491 -8.123 1.00 0.00 O ATOM 923 CB CYS A 67 12.431 -5.412 -5.817 1.00 0.00 C ATOM 924 SG CYS A 67 10.836 -5.511 -4.942 1.00 0.00 S ATOM 0 H CYS A 67 11.539 -3.487 -7.577 1.00 0.00 H new ATOM 0 HA CYS A 67 13.204 -3.528 -5.128 1.00 0.00 H new ATOM 0 HB2 CYS A 67 12.343 -5.932 -6.771 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.186 -5.940 -5.235 1.00 0.00 H new ATOM 929 N SER A 68 15.247 -3.474 -6.503 1.00 0.00 N ATOM 930 CA SER A 68 16.479 -3.428 -7.282 1.00 0.00 C ATOM 931 C SER A 68 17.700 -3.510 -6.371 1.00 0.00 C ATOM 932 O SER A 68 17.575 -3.688 -5.160 1.00 0.00 O ATOM 933 CB SER A 68 16.534 -2.146 -8.114 1.00 0.00 C ATOM 934 OG SER A 68 15.259 -1.825 -8.641 1.00 0.00 O ATOM 0 H SER A 68 15.323 -3.070 -5.569 1.00 0.00 H new ATOM 0 HA SER A 68 16.489 -4.287 -7.952 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.893 -1.323 -7.496 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.248 -2.268 -8.929 1.00 0.00 H new ATOM 0 HG SER A 68 15.321 -1.001 -9.168 1.00 0.00 H new