USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 648 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 36 ASN : amide:sc= 1.65 K(o=2.4,f=-6.1!) USER MOD Set 1.2: A 93 ASN : amide:sc= 0.777 K(o=2.4,f=0.81) USER MOD Set 2.1: A 28 ASN : amide:sc= 1.09 K(o=1.9,f=1.4) USER MOD Set 2.2: A 31 SER OG : rot 175:sc= 0.85 USER MOD Single : A 14 THR OG1 : rot 112:sc= 1.24 USER MOD Single : A 15 SER OG : rot -110:sc= 0.474 USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0.635 (180deg=0.519) USER MOD Single : A 21 GLN : amide:sc= 0.471 K(o=0.47,f=-2.1) USER MOD Single : A 25 THR OG1 : rot -140:sc= -2.01! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.048 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0379 USER MOD Single : A 41 THR OG1 : rot 80:sc= 0.596 USER MOD Single : A 42 ASN : amide:sc= 0.229 X(o=0.23,f=0) USER MOD Single : A 43 ASN : amide:sc= 1.15 K(o=1.1,f=-0.0052) USER MOD Single : A 45 SER OG : rot 180:sc= 0.137 USER MOD Single : A 48 SER OG : rot 180:sc= 0.157 USER MOD Single : A 57 ASN : amide:sc= -0.766 K(o=-0.77,f=-0.12) USER MOD Single : A 60 SER OG : rot -36:sc= 0.785! USER MOD Single : A 62 ASN : amide:sc= 0.536 K(o=0.54,f=-4.2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0777 USER MOD Single : A 65 SER OG : rot -66:sc= 0.416 USER MOD Single : A 69 LYS NZ :NH3+ 148:sc= -0.343! (180deg=-2.29!) USER MOD Single : A 71 SER OG : rot -170:sc= 0.18 USER MOD Single : A 75 GLN : amide:sc= 0.192 K(o=0.19,f=-0.63) USER MOD Single : A 84 HIS : no HD1:sc=-0.00668 X(o=-0.0067,f=-0.15) USER MOD Single : A 85 THR OG1 : rot -164:sc= 1.61 USER MOD Single : A 92 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.804) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -4.65! C(o=-4.7!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 12 9.956 1.918 3.243 1.00 0.00 N ATOM 157 CA LEU A 12 9.709 1.797 1.813 1.00 0.00 C ATOM 158 C LEU A 12 11.026 2.053 1.091 1.00 0.00 C ATOM 159 O LEU A 12 11.124 2.975 0.281 1.00 0.00 O ATOM 160 CB LEU A 12 8.664 2.828 1.353 1.00 0.00 C ATOM 161 CG LEU A 12 7.183 2.527 1.661 1.00 0.00 C ATOM 162 CD1 LEU A 12 6.554 1.715 0.549 1.00 0.00 C ATOM 163 CD2 LEU A 12 6.996 1.817 2.991 1.00 0.00 C ATOM 0 HA LEU A 12 9.326 0.802 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.914 3.786 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.765 2.951 0.275 1.00 0.00 H new ATOM 0 HG LEU A 12 6.680 3.491 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.510 1.516 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.611 2.273 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.088 0.771 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.935 1.630 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.534 0.869 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.384 2.442 3.795 1.00 0.00 H new ATOM 175 N ALA A 13 12.042 1.244 1.428 1.00 0.00 N ATOM 176 CA ALA A 13 13.438 1.492 1.048 1.00 0.00 C ATOM 177 C ALA A 13 13.985 2.685 1.837 1.00 0.00 C ATOM 178 O ALA A 13 15.001 2.587 2.521 1.00 0.00 O ATOM 179 CB ALA A 13 13.592 1.717 -0.453 1.00 0.00 C ATOM 0 H ALA A 13 11.915 0.393 1.976 1.00 0.00 H new ATOM 0 HA ALA A 13 14.017 0.602 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.641 1.897 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.245 0.834 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.000 2.581 -0.754 1.00 0.00 H new ATOM 185 N THR A 14 13.261 3.791 1.760 1.00 0.00 N ATOM 186 CA THR A 14 13.574 4.999 2.512 1.00 0.00 C ATOM 187 C THR A 14 12.282 5.752 2.820 1.00 0.00 C ATOM 188 O THR A 14 12.136 6.353 3.885 1.00 0.00 O ATOM 189 CB THR A 14 14.534 5.919 1.737 1.00 0.00 C ATOM 190 OG1 THR A 14 14.557 5.536 0.357 1.00 0.00 O ATOM 191 CG2 THR A 14 15.945 5.853 2.317 1.00 0.00 C ATOM 0 H THR A 14 12.433 3.877 1.170 1.00 0.00 H new ATOM 0 HA THR A 14 14.069 4.703 3.437 1.00 0.00 H new ATOM 0 HB THR A 14 14.177 6.945 1.827 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.137 6.237 -0.184 1.00 0.00 H new ATOM 0 HG21 THR A 14 16.602 6.513 1.751 1.00 0.00 H new ATOM 0 HG22 THR A 14 15.925 6.169 3.360 1.00 0.00 H new ATOM 0 HG23 THR A 14 16.316 4.830 2.255 1.00 0.00 H new ATOM 199 N SER A 15 11.335 5.674 1.880 1.00 0.00 N ATOM 200 CA SER A 15 9.991 6.246 2.028 1.00 0.00 C ATOM 201 C SER A 15 10.027 7.762 2.184 1.00 0.00 C ATOM 202 O SER A 15 9.172 8.332 2.849 1.00 0.00 O ATOM 203 CB SER A 15 9.224 5.625 3.217 1.00 0.00 C ATOM 204 OG SER A 15 9.973 4.611 3.869 1.00 0.00 O ATOM 0 H SER A 15 11.481 5.207 0.985 1.00 0.00 H new ATOM 0 HA SER A 15 9.462 6.003 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.974 6.407 3.934 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.283 5.206 2.861 1.00 0.00 H new ATOM 0 HG SER A 15 9.567 3.737 3.689 1.00 0.00 H new ATOM 210 N ALA A 16 10.988 8.419 1.558 1.00 0.00 N ATOM 211 CA ALA A 16 11.059 9.871 1.632 1.00 0.00 C ATOM 212 C ALA A 16 9.868 10.491 0.908 1.00 0.00 C ATOM 213 O ALA A 16 9.296 11.484 1.358 1.00 0.00 O ATOM 214 CB ALA A 16 12.371 10.377 1.052 1.00 0.00 C ATOM 0 H ALA A 16 11.721 7.980 1.000 1.00 0.00 H new ATOM 0 HA ALA A 16 11.021 10.170 2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.402 11.465 1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.204 9.955 1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.448 10.074 0.008 1.00 0.00 H new ATOM 220 N ALA A 17 9.485 9.881 -0.202 1.00 0.00 N ATOM 221 CA ALA A 17 8.331 10.327 -0.959 1.00 0.00 C ATOM 222 C ALA A 17 7.058 9.673 -0.430 1.00 0.00 C ATOM 223 O ALA A 17 5.985 10.283 -0.416 1.00 0.00 O ATOM 224 CB ALA A 17 8.519 10.020 -2.438 1.00 0.00 C ATOM 0 H ALA A 17 9.961 9.071 -0.599 1.00 0.00 H new ATOM 0 HA ALA A 17 8.233 11.406 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.645 10.360 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.407 10.534 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.640 8.945 -2.574 1.00 0.00 H new ATOM 230 N PHE A 18 7.186 8.437 0.033 1.00 0.00 N ATOM 231 CA PHE A 18 6.042 7.677 0.520 1.00 0.00 C ATOM 232 C PHE A 18 5.510 8.248 1.832 1.00 0.00 C ATOM 233 O PHE A 18 4.299 8.409 2.002 1.00 0.00 O ATOM 234 CB PHE A 18 6.426 6.209 0.706 1.00 0.00 C ATOM 235 CG PHE A 18 5.293 5.361 1.209 1.00 0.00 C ATOM 236 CD1 PHE A 18 4.327 4.892 0.338 1.00 0.00 C ATOM 237 CD2 PHE A 18 5.193 5.037 2.553 1.00 0.00 C ATOM 238 CE1 PHE A 18 3.278 4.121 0.799 1.00 0.00 C ATOM 239 CE2 PHE A 18 4.149 4.265 3.017 1.00 0.00 C ATOM 240 CZ PHE A 18 3.190 3.803 2.138 1.00 0.00 C ATOM 0 H PHE A 18 8.074 7.937 0.082 1.00 0.00 H new ATOM 0 HA PHE A 18 5.250 7.751 -0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.777 5.808 -0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.259 6.144 1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.393 5.131 -0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.942 5.393 3.245 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.526 3.767 0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.082 4.022 4.067 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.373 3.195 2.498 1.00 0.00 H new ATOM 250 N ALA A 19 6.422 8.571 2.745 1.00 0.00 N ATOM 251 CA ALA A 19 6.063 9.060 4.082 1.00 0.00 C ATOM 252 C ALA A 19 5.318 10.396 4.039 1.00 0.00 C ATOM 253 O ALA A 19 4.931 10.931 5.077 1.00 0.00 O ATOM 254 CB ALA A 19 7.301 9.181 4.958 1.00 0.00 C ATOM 0 H ALA A 19 7.427 8.503 2.585 1.00 0.00 H new ATOM 0 HA ALA A 19 5.384 8.324 4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.014 9.545 5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.775 8.204 5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.002 9.881 4.503 1.00 0.00 H new ATOM 260 N LYS A 20 5.087 10.917 2.840 1.00 0.00 N ATOM 261 CA LYS A 20 4.316 12.141 2.675 1.00 0.00 C ATOM 262 C LYS A 20 2.844 11.841 2.927 1.00 0.00 C ATOM 263 O LYS A 20 1.998 12.736 2.955 1.00 0.00 O ATOM 264 CB LYS A 20 4.512 12.706 1.267 1.00 0.00 C ATOM 265 CG LYS A 20 5.350 13.972 1.224 1.00 0.00 C ATOM 266 CD LYS A 20 6.788 13.677 0.834 1.00 0.00 C ATOM 267 CE LYS A 20 7.768 14.525 1.631 1.00 0.00 C ATOM 268 NZ LYS A 20 8.307 13.792 2.806 1.00 0.00 N ATOM 0 H LYS A 20 5.423 10.510 1.967 1.00 0.00 H new ATOM 0 HA LYS A 20 4.661 12.887 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.985 11.947 0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.535 12.913 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.915 14.673 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.329 14.456 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.001 12.621 0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.923 13.867 -0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.591 14.832 0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.271 15.435 1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.876 14.439 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.519 13.419 3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.903 13.004 2.480 1.00 0.00 H new ATOM 282 N GLN A 21 2.559 10.557 3.112 1.00 0.00 N ATOM 283 CA GLN A 21 1.222 10.092 3.428 1.00 0.00 C ATOM 284 C GLN A 21 0.953 10.226 4.921 1.00 0.00 C ATOM 285 O GLN A 21 -0.165 10.026 5.384 1.00 0.00 O ATOM 286 CB GLN A 21 1.058 8.638 2.995 1.00 0.00 C ATOM 287 CG GLN A 21 -0.226 8.400 2.238 1.00 0.00 C ATOM 288 CD GLN A 21 -0.008 7.686 0.923 1.00 0.00 C ATOM 289 OE1 GLN A 21 -0.079 8.299 -0.139 1.00 0.00 O ATOM 290 NE2 GLN A 21 0.271 6.395 0.972 1.00 0.00 N ATOM 0 H GLN A 21 3.252 9.812 3.046 1.00 0.00 H new ATOM 0 HA GLN A 21 0.502 10.706 2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.903 8.351 2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.081 7.996 3.875 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.904 7.812 2.857 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.714 9.356 2.050 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.322 5.918 1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.435 5.876 0.110 1.00 0.00 H new ATOM 299 N ALA A 22 1.996 10.549 5.667 1.00 0.00 N ATOM 300 CA ALA A 22 1.867 10.795 7.091 1.00 0.00 C ATOM 301 C ALA A 22 2.052 12.275 7.375 1.00 0.00 C ATOM 302 O ALA A 22 2.059 12.707 8.529 1.00 0.00 O ATOM 303 CB ALA A 22 2.884 9.972 7.869 1.00 0.00 C ATOM 0 H ALA A 22 2.945 10.647 5.307 1.00 0.00 H new ATOM 0 HA ALA A 22 0.870 10.495 7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.773 10.169 8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.718 8.912 7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.891 10.245 7.553 1.00 0.00 H new ATOM 309 N GLU A 23 2.210 13.049 6.307 1.00 0.00 N ATOM 310 CA GLU A 23 2.426 14.477 6.437 1.00 0.00 C ATOM 311 C GLU A 23 1.266 15.257 5.824 1.00 0.00 C ATOM 312 O GLU A 23 0.421 15.794 6.542 1.00 0.00 O ATOM 313 CB GLU A 23 3.736 14.897 5.766 1.00 0.00 C ATOM 314 CG GLU A 23 4.945 14.072 6.181 1.00 0.00 C ATOM 315 CD GLU A 23 6.081 14.170 5.185 1.00 0.00 C ATOM 316 OE1 GLU A 23 5.925 14.864 4.163 1.00 0.00 O ATOM 317 OE2 GLU A 23 7.144 13.557 5.420 1.00 0.00 O ATOM 0 H GLU A 23 2.192 12.708 5.346 1.00 0.00 H new ATOM 0 HA GLU A 23 2.487 14.705 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.616 14.826 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.929 15.945 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.292 14.408 7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.649 13.028 6.289 1.00 0.00 H new ATOM 324 N GLY A 24 1.241 15.316 4.491 1.00 0.00 N ATOM 325 CA GLY A 24 0.176 16.009 3.790 1.00 0.00 C ATOM 326 C GLY A 24 -1.143 15.275 3.900 1.00 0.00 C ATOM 327 O GLY A 24 -2.190 15.887 4.118 1.00 0.00 O ATOM 0 H GLY A 24 1.944 14.893 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.067 17.014 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.444 16.118 2.739 1.00 0.00 H new ATOM 331 N THR A 25 -1.094 13.962 3.756 1.00 0.00 N ATOM 332 CA THR A 25 -2.264 13.130 3.957 1.00 0.00 C ATOM 333 C THR A 25 -2.422 12.825 5.441 1.00 0.00 C ATOM 334 O THR A 25 -1.450 12.475 6.111 1.00 0.00 O ATOM 335 CB THR A 25 -2.137 11.819 3.167 1.00 0.00 C ATOM 336 OG1 THR A 25 -1.048 11.928 2.237 1.00 0.00 O ATOM 337 CG2 THR A 25 -3.421 11.517 2.414 1.00 0.00 C ATOM 0 H THR A 25 -0.251 13.448 3.499 1.00 0.00 H new ATOM 0 HA THR A 25 -3.142 13.666 3.598 1.00 0.00 H new ATOM 0 HB THR A 25 -1.948 11.005 3.867 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.298 11.504 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.308 10.584 1.862 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.244 11.422 3.122 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.633 12.328 1.717 1.00 0.00 H new ATOM 345 N THR A 26 -3.627 12.997 5.966 1.00 0.00 N ATOM 346 CA THR A 26 -3.869 12.747 7.371 1.00 0.00 C ATOM 347 C THR A 26 -4.086 11.257 7.624 1.00 0.00 C ATOM 348 O THR A 26 -5.196 10.743 7.494 1.00 0.00 O ATOM 349 CB THR A 26 -5.091 13.545 7.862 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.486 14.494 6.855 1.00 0.00 O ATOM 351 CG2 THR A 26 -4.774 14.275 9.159 1.00 0.00 C ATOM 0 H THR A 26 -4.444 13.307 5.440 1.00 0.00 H new ATOM 0 HA THR A 26 -2.990 13.073 7.927 1.00 0.00 H new ATOM 0 HB THR A 26 -5.908 12.848 8.049 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.265 14.999 7.169 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.652 14.832 9.487 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.496 13.551 9.925 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.947 14.965 8.995 1.00 0.00 H new ATOM 359 N CYS A 27 -3.010 10.582 8.003 1.00 0.00 N ATOM 360 CA CYS A 27 -3.043 9.159 8.310 1.00 0.00 C ATOM 361 C CYS A 27 -2.078 8.869 9.453 1.00 0.00 C ATOM 362 O CYS A 27 -1.457 9.785 9.994 1.00 0.00 O ATOM 363 CB CYS A 27 -2.669 8.322 7.076 1.00 0.00 C ATOM 364 SG CYS A 27 -3.965 8.235 5.794 1.00 0.00 S ATOM 0 H CYS A 27 -2.088 11.006 8.106 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.056 8.886 8.607 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.765 8.738 6.632 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.428 7.309 7.400 1.00 0.00 H new ATOM 369 N ASN A 28 -1.964 7.607 9.832 1.00 0.00 N ATOM 370 CA ASN A 28 -1.072 7.219 10.914 1.00 0.00 C ATOM 371 C ASN A 28 0.097 6.420 10.354 1.00 0.00 C ATOM 372 O ASN A 28 -0.055 5.718 9.358 1.00 0.00 O ATOM 373 CB ASN A 28 -1.838 6.401 11.957 1.00 0.00 C ATOM 374 CG ASN A 28 -0.972 5.978 13.132 1.00 0.00 C ATOM 375 OD1 ASN A 28 -0.241 6.785 13.709 1.00 0.00 O ATOM 376 ND2 ASN A 28 -1.047 4.708 13.492 1.00 0.00 N ATOM 0 H ASN A 28 -2.477 6.834 9.408 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.682 8.113 11.400 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.679 6.988 12.325 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.254 5.513 11.481 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.487 4.365 14.273 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.665 4.071 12.989 1.00 0.00 H new ATOM 383 N VAL A 29 1.261 6.533 10.984 1.00 0.00 N ATOM 384 CA VAL A 29 2.461 5.847 10.507 1.00 0.00 C ATOM 385 C VAL A 29 2.311 4.336 10.647 1.00 0.00 C ATOM 386 O VAL A 29 2.573 3.585 9.708 1.00 0.00 O ATOM 387 CB VAL A 29 3.727 6.306 11.265 1.00 0.00 C ATOM 388 CG1 VAL A 29 4.983 5.752 10.606 1.00 0.00 C ATOM 389 CG2 VAL A 29 3.793 7.825 11.341 1.00 0.00 C ATOM 0 H VAL A 29 1.401 7.092 11.826 1.00 0.00 H new ATOM 0 HA VAL A 29 2.577 6.107 9.455 1.00 0.00 H new ATOM 0 HB VAL A 29 3.670 5.914 12.281 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.861 6.088 11.157 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.946 4.663 10.611 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.041 6.108 9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.693 8.124 11.879 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.819 8.239 10.333 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.915 8.202 11.865 1.00 0.00 H new ATOM 399 N GLY A 30 1.861 3.900 11.813 1.00 0.00 N ATOM 400 CA GLY A 30 1.629 2.487 12.036 1.00 0.00 C ATOM 401 C GLY A 30 0.324 2.013 11.422 1.00 0.00 C ATOM 402 O GLY A 30 -0.211 0.976 11.806 1.00 0.00 O ATOM 0 H GLY A 30 1.652 4.500 12.611 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.455 1.915 11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.617 2.288 13.108 1.00 0.00 H new ATOM 406 N SER A 31 -0.201 2.794 10.489 1.00 0.00 N ATOM 407 CA SER A 31 -1.425 2.452 9.783 1.00 0.00 C ATOM 408 C SER A 31 -1.418 3.095 8.400 1.00 0.00 C ATOM 409 O SER A 31 -2.443 3.574 7.917 1.00 0.00 O ATOM 410 CB SER A 31 -2.659 2.914 10.573 1.00 0.00 C ATOM 411 OG SER A 31 -2.435 2.825 11.971 1.00 0.00 O ATOM 0 H SER A 31 0.210 3.682 10.201 1.00 0.00 H new ATOM 0 HA SER A 31 -1.474 1.368 9.678 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.901 3.942 10.305 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.519 2.302 10.300 1.00 0.00 H new ATOM 0 HG SER A 31 -3.203 3.200 12.450 1.00 0.00 H new ATOM 417 N ILE A 32 -0.252 3.121 7.776 1.00 0.00 N ATOM 418 CA ILE A 32 -0.108 3.725 6.464 1.00 0.00 C ATOM 419 C ILE A 32 -0.195 2.648 5.376 1.00 0.00 C ATOM 420 O ILE A 32 0.353 1.553 5.532 1.00 0.00 O ATOM 421 CB ILE A 32 1.217 4.533 6.375 1.00 0.00 C ATOM 422 CG1 ILE A 32 1.004 5.817 5.573 1.00 0.00 C ATOM 423 CG2 ILE A 32 2.352 3.712 5.786 1.00 0.00 C ATOM 424 CD1 ILE A 32 1.547 7.061 6.256 1.00 0.00 C ATOM 0 H ILE A 32 0.609 2.730 8.158 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.925 4.428 6.303 1.00 0.00 H new ATOM 0 HB ILE A 32 1.508 4.795 7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.482 5.710 4.599 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.063 5.949 5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.256 4.319 5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.531 2.837 6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.084 3.390 4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.359 7.932 5.628 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.052 7.194 7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.620 6.951 6.413 1.00 0.00 H new ATOM 436 N ALA A 33 -0.928 2.934 4.304 1.00 0.00 N ATOM 437 CA ALA A 33 -1.164 1.944 3.265 1.00 0.00 C ATOM 438 C ALA A 33 -1.334 2.581 1.890 1.00 0.00 C ATOM 439 O ALA A 33 -1.267 3.802 1.740 1.00 0.00 O ATOM 440 CB ALA A 33 -2.395 1.122 3.605 1.00 0.00 C ATOM 0 H ALA A 33 -1.366 3.840 4.135 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.286 1.300 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.566 0.382 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.242 0.614 4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.262 1.779 3.679 1.00 0.00 H new ATOM 446 N CYS A 34 -1.559 1.727 0.895 1.00 0.00 N ATOM 447 CA CYS A 34 -1.839 2.163 -0.468 1.00 0.00 C ATOM 448 C CYS A 34 -3.061 1.422 -1.008 1.00 0.00 C ATOM 449 O CYS A 34 -3.262 0.245 -0.704 1.00 0.00 O ATOM 450 CB CYS A 34 -0.633 1.905 -1.371 1.00 0.00 C ATOM 451 SG CYS A 34 0.766 3.040 -1.087 1.00 0.00 S ATOM 0 H CYS A 34 -1.552 0.714 1.012 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.043 3.234 -0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.292 0.881 -1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.948 1.986 -2.411 1.00 0.00 H new ATOM 456 N CYS A 35 -3.863 2.103 -1.817 1.00 0.00 N ATOM 457 CA CYS A 35 -5.105 1.539 -2.333 1.00 0.00 C ATOM 458 C CYS A 35 -5.241 1.819 -3.827 1.00 0.00 C ATOM 459 O CYS A 35 -4.525 2.660 -4.377 1.00 0.00 O ATOM 460 CB CYS A 35 -6.303 2.137 -1.589 1.00 0.00 C ATOM 461 SG CYS A 35 -7.014 1.061 -0.305 1.00 0.00 S ATOM 0 H CYS A 35 -3.674 3.054 -2.132 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.083 0.461 -2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.996 3.076 -1.128 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.081 2.378 -2.314 1.00 0.00 H new ATOM 466 N ASN A 36 -6.155 1.111 -4.477 1.00 0.00 N ATOM 467 CA ASN A 36 -6.424 1.313 -5.899 1.00 0.00 C ATOM 468 C ASN A 36 -7.851 0.893 -6.231 1.00 0.00 C ATOM 469 O ASN A 36 -8.497 0.185 -5.453 1.00 0.00 O ATOM 470 CB ASN A 36 -5.427 0.537 -6.773 1.00 0.00 C ATOM 471 CG ASN A 36 -5.359 1.058 -8.200 1.00 0.00 C ATOM 472 OD1 ASN A 36 -5.950 2.085 -8.530 1.00 0.00 O ATOM 473 ND2 ASN A 36 -4.626 0.364 -9.055 1.00 0.00 N ATOM 0 H ASN A 36 -6.727 0.387 -4.041 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.305 2.375 -6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.436 0.595 -6.323 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.709 -0.516 -6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.538 0.676 -10.022 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.149 -0.484 -8.747 1.00 0.00 H new ATOM 480 N SER A 37 -8.345 1.374 -7.365 1.00 0.00 N ATOM 481 CA SER A 37 -9.675 1.041 -7.847 1.00 0.00 C ATOM 482 C SER A 37 -9.869 -0.476 -7.929 1.00 0.00 C ATOM 483 O SER A 37 -8.926 -1.220 -8.213 1.00 0.00 O ATOM 484 CB SER A 37 -9.888 1.686 -9.219 1.00 0.00 C ATOM 485 OG SER A 37 -9.361 3.004 -9.248 1.00 0.00 O ATOM 0 H SER A 37 -7.831 2.008 -7.977 1.00 0.00 H new ATOM 0 HA SER A 37 -10.413 1.428 -7.144 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.407 1.081 -9.988 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.953 1.711 -9.452 1.00 0.00 H new ATOM 0 HG SER A 37 -9.507 3.395 -10.135 1.00 0.00 H new ATOM 491 N PRO A 38 -11.100 -0.952 -7.684 1.00 0.00 N ATOM 492 CA PRO A 38 -11.409 -2.387 -7.636 1.00 0.00 C ATOM 493 C PRO A 38 -11.028 -3.121 -8.915 1.00 0.00 C ATOM 494 O PRO A 38 -10.600 -4.272 -8.875 1.00 0.00 O ATOM 495 CB PRO A 38 -12.928 -2.425 -7.441 1.00 0.00 C ATOM 496 CG PRO A 38 -13.273 -1.106 -6.845 1.00 0.00 C ATOM 497 CD PRO A 38 -12.295 -0.127 -7.421 1.00 0.00 C ATOM 0 HA PRO A 38 -10.846 -2.885 -6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.444 -2.577 -8.389 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.221 -3.244 -6.784 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.297 -0.824 -7.088 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.200 -1.137 -5.758 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.676 0.331 -8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.079 0.683 -6.724 1.00 0.00 H new ATOM 505 N ALA A 39 -11.150 -2.436 -10.044 1.00 0.00 N ATOM 506 CA ALA A 39 -10.922 -3.053 -11.348 1.00 0.00 C ATOM 507 C ALA A 39 -9.462 -3.448 -11.555 1.00 0.00 C ATOM 508 O ALA A 39 -9.143 -4.211 -12.466 1.00 0.00 O ATOM 509 CB ALA A 39 -11.377 -2.111 -12.451 1.00 0.00 C ATOM 0 H ALA A 39 -11.406 -1.450 -10.085 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.509 -3.971 -11.385 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.204 -2.577 -13.421 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.440 -1.900 -12.334 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.813 -1.180 -12.390 1.00 0.00 H new ATOM 515 N GLU A 40 -8.582 -2.929 -10.717 1.00 0.00 N ATOM 516 CA GLU A 40 -7.163 -3.247 -10.810 1.00 0.00 C ATOM 517 C GLU A 40 -6.767 -4.156 -9.661 1.00 0.00 C ATOM 518 O GLU A 40 -6.133 -5.191 -9.859 1.00 0.00 O ATOM 519 CB GLU A 40 -6.316 -1.976 -10.778 1.00 0.00 C ATOM 520 CG GLU A 40 -7.002 -0.765 -11.385 1.00 0.00 C ATOM 521 CD GLU A 40 -6.107 -0.025 -12.353 1.00 0.00 C ATOM 522 OE1 GLU A 40 -5.230 0.731 -11.891 1.00 0.00 O ATOM 523 OE2 GLU A 40 -6.277 -0.199 -13.581 1.00 0.00 O ATOM 0 H GLU A 40 -8.822 -2.285 -9.963 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.985 -3.755 -11.758 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.053 -1.752 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.383 -2.159 -11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.907 -1.084 -11.902 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.311 -0.088 -10.589 1.00 0.00 H new ATOM 530 N THR A 41 -7.169 -3.760 -8.463 1.00 0.00 N ATOM 531 CA THR A 41 -6.904 -4.527 -7.258 1.00 0.00 C ATOM 532 C THR A 41 -7.444 -5.952 -7.372 1.00 0.00 C ATOM 533 O THR A 41 -6.835 -6.903 -6.885 1.00 0.00 O ATOM 534 CB THR A 41 -7.549 -3.834 -6.045 1.00 0.00 C ATOM 535 OG1 THR A 41 -7.376 -2.417 -6.152 1.00 0.00 O ATOM 536 CG2 THR A 41 -6.948 -4.326 -4.741 1.00 0.00 C ATOM 0 H THR A 41 -7.688 -2.897 -8.300 1.00 0.00 H new ATOM 0 HA THR A 41 -5.823 -4.579 -7.127 1.00 0.00 H new ATOM 0 HB THR A 41 -8.611 -4.078 -6.041 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.047 -2.051 -6.765 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.426 -3.816 -3.905 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.107 -5.400 -4.650 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.879 -4.115 -4.731 1.00 0.00 H new ATOM 544 N ASN A 42 -8.584 -6.087 -8.028 1.00 0.00 N ATOM 545 CA ASN A 42 -9.268 -7.367 -8.119 1.00 0.00 C ATOM 546 C ASN A 42 -9.120 -7.991 -9.498 1.00 0.00 C ATOM 547 O ASN A 42 -9.840 -8.930 -9.839 1.00 0.00 O ATOM 548 CB ASN A 42 -10.741 -7.175 -7.809 1.00 0.00 C ATOM 549 CG ASN A 42 -11.111 -7.686 -6.437 1.00 0.00 C ATOM 550 OD1 ASN A 42 -11.404 -8.868 -6.259 1.00 0.00 O ATOM 551 ND2 ASN A 42 -11.091 -6.797 -5.457 1.00 0.00 N ATOM 0 H ASN A 42 -9.058 -5.322 -8.508 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.812 -8.042 -7.395 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.989 -6.116 -7.879 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.338 -7.692 -8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.325 -7.081 -4.506 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.842 -5.828 -5.653 1.00 0.00 H new ATOM 558 N ASN A 43 -8.193 -7.469 -10.287 1.00 0.00 N ATOM 559 CA ASN A 43 -8.014 -7.925 -11.668 1.00 0.00 C ATOM 560 C ASN A 43 -7.611 -9.397 -11.715 1.00 0.00 C ATOM 561 O ASN A 43 -7.887 -10.098 -12.688 1.00 0.00 O ATOM 562 CB ASN A 43 -6.967 -7.074 -12.390 1.00 0.00 C ATOM 563 CG ASN A 43 -7.231 -6.974 -13.885 1.00 0.00 C ATOM 564 OD1 ASN A 43 -6.752 -7.790 -14.674 1.00 0.00 O ATOM 565 ND2 ASN A 43 -7.987 -5.965 -14.288 1.00 0.00 N ATOM 0 H ASN A 43 -7.551 -6.730 -10.000 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.971 -7.813 -12.178 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.956 -6.073 -11.958 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.978 -7.503 -12.226 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.190 -5.844 -15.280 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.367 -5.308 -13.606 1.00 0.00 H new ATOM 572 N ASP A 44 -6.976 -9.865 -10.651 1.00 0.00 N ATOM 573 CA ASP A 44 -6.533 -11.250 -10.571 1.00 0.00 C ATOM 574 C ASP A 44 -7.201 -11.962 -9.401 1.00 0.00 C ATOM 575 O ASP A 44 -7.456 -11.353 -8.359 1.00 0.00 O ATOM 576 CB ASP A 44 -5.013 -11.315 -10.414 1.00 0.00 C ATOM 577 CG ASP A 44 -4.451 -12.672 -10.792 1.00 0.00 C ATOM 578 OD1 ASP A 44 -4.527 -13.603 -9.961 1.00 0.00 O ATOM 579 OD2 ASP A 44 -3.937 -12.812 -11.922 1.00 0.00 O ATOM 0 H ASP A 44 -6.755 -9.304 -9.828 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.818 -11.751 -11.496 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.553 -10.548 -11.037 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.747 -11.089 -9.381 1.00 0.00 H new ATOM 584 N SER A 45 -7.473 -13.250 -9.574 1.00 0.00 N ATOM 585 CA SER A 45 -8.123 -14.055 -8.547 1.00 0.00 C ATOM 586 C SER A 45 -7.185 -14.304 -7.367 1.00 0.00 C ATOM 587 O SER A 45 -7.628 -14.552 -6.241 1.00 0.00 O ATOM 588 CB SER A 45 -8.570 -15.385 -9.151 1.00 0.00 C ATOM 589 OG SER A 45 -8.186 -15.471 -10.518 1.00 0.00 O ATOM 0 H SER A 45 -7.250 -13.764 -10.426 1.00 0.00 H new ATOM 0 HA SER A 45 -8.991 -13.510 -8.176 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.129 -16.210 -8.592 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.652 -15.484 -9.065 1.00 0.00 H new ATOM 0 HG SER A 45 -8.479 -16.330 -10.887 1.00 0.00 H new ATOM 595 N LEU A 46 -5.889 -14.244 -7.632 1.00 0.00 N ATOM 596 CA LEU A 46 -4.891 -14.413 -6.593 1.00 0.00 C ATOM 597 C LEU A 46 -4.531 -13.062 -5.988 1.00 0.00 C ATOM 598 O LEU A 46 -4.075 -12.984 -4.850 1.00 0.00 O ATOM 599 CB LEU A 46 -3.642 -15.087 -7.163 1.00 0.00 C ATOM 600 CG LEU A 46 -2.536 -15.374 -6.150 1.00 0.00 C ATOM 601 CD1 LEU A 46 -2.809 -16.681 -5.423 1.00 0.00 C ATOM 602 CD2 LEU A 46 -1.180 -15.414 -6.841 1.00 0.00 C ATOM 0 H LEU A 46 -5.505 -14.079 -8.562 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.304 -15.049 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.937 -16.027 -7.630 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.235 -14.454 -7.951 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.521 -14.570 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.012 -16.871 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.762 -16.613 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.850 -17.497 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.403 -15.620 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.180 -16.199 -7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.985 -14.452 -7.316 1.00 0.00 H new ATOM 614 N LEU A 47 -4.755 -12.003 -6.759 1.00 0.00 N ATOM 615 CA LEU A 47 -4.460 -10.644 -6.315 1.00 0.00 C ATOM 616 C LEU A 47 -5.256 -10.297 -5.066 1.00 0.00 C ATOM 617 O LEU A 47 -4.713 -9.767 -4.102 1.00 0.00 O ATOM 618 CB LEU A 47 -4.785 -9.640 -7.423 1.00 0.00 C ATOM 619 CG LEU A 47 -3.623 -8.747 -7.862 1.00 0.00 C ATOM 620 CD1 LEU A 47 -4.071 -7.805 -8.972 1.00 0.00 C ATOM 621 CD2 LEU A 47 -3.071 -7.960 -6.683 1.00 0.00 C ATOM 0 H LEU A 47 -5.143 -12.060 -7.701 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.397 -10.591 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.147 -10.189 -8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.602 -9.003 -7.084 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.826 -9.384 -8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.234 -7.175 -9.275 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.415 -8.387 -9.827 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.885 -7.177 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.246 -7.332 -7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.858 -7.332 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.714 -8.651 -5.920 1.00 0.00 H new ATOM 633 N SER A 48 -6.539 -10.619 -5.086 1.00 0.00 N ATOM 634 CA SER A 48 -7.414 -10.321 -3.964 1.00 0.00 C ATOM 635 C SER A 48 -7.010 -11.127 -2.726 1.00 0.00 C ATOM 636 O SER A 48 -7.122 -10.654 -1.595 1.00 0.00 O ATOM 637 CB SER A 48 -8.855 -10.618 -4.367 1.00 0.00 C ATOM 638 OG SER A 48 -8.889 -11.430 -5.532 1.00 0.00 O ATOM 0 H SER A 48 -6.998 -11.087 -5.867 1.00 0.00 H new ATOM 0 HA SER A 48 -7.324 -9.266 -3.705 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.371 -11.123 -3.550 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.387 -9.685 -4.552 1.00 0.00 H new ATOM 0 HG SER A 48 -9.820 -11.613 -5.776 1.00 0.00 H new ATOM 644 N GLY A 49 -6.504 -12.338 -2.954 1.00 0.00 N ATOM 645 CA GLY A 49 -6.012 -13.161 -1.863 1.00 0.00 C ATOM 646 C GLY A 49 -4.664 -12.686 -1.365 1.00 0.00 C ATOM 647 O GLY A 49 -4.279 -12.959 -0.229 1.00 0.00 O ATOM 0 H GLY A 49 -6.426 -12.764 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.729 -13.144 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.933 -14.196 -2.195 1.00 0.00 H new ATOM 651 N LEU A 50 -3.952 -11.964 -2.220 1.00 0.00 N ATOM 652 CA LEU A 50 -2.657 -11.401 -1.865 1.00 0.00 C ATOM 653 C LEU A 50 -2.849 -10.195 -0.959 1.00 0.00 C ATOM 654 O LEU A 50 -1.969 -9.847 -0.169 1.00 0.00 O ATOM 655 CB LEU A 50 -1.899 -10.985 -3.129 1.00 0.00 C ATOM 656 CG LEU A 50 -0.562 -11.683 -3.351 1.00 0.00 C ATOM 657 CD1 LEU A 50 -0.781 -13.128 -3.767 1.00 0.00 C ATOM 658 CD2 LEU A 50 0.254 -10.943 -4.399 1.00 0.00 C ATOM 0 H LEU A 50 -4.253 -11.754 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.076 -12.157 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.536 -11.175 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.726 -9.910 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.006 -11.676 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.183 -13.612 -3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.329 -13.653 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.354 -13.157 -4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.206 -11.454 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.296 -10.922 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.438 -9.922 -4.063 1.00 0.00 H new ATOM 670 N LEU A 51 -4.009 -9.563 -1.092 1.00 0.00 N ATOM 671 CA LEU A 51 -4.357 -8.402 -0.287 1.00 0.00 C ATOM 672 C LEU A 51 -4.535 -8.793 1.173 1.00 0.00 C ATOM 673 O LEU A 51 -4.113 -8.077 2.080 1.00 0.00 O ATOM 674 CB LEU A 51 -5.646 -7.763 -0.813 1.00 0.00 C ATOM 675 CG LEU A 51 -5.457 -6.487 -1.639 1.00 0.00 C ATOM 676 CD1 LEU A 51 -4.298 -5.662 -1.104 1.00 0.00 C ATOM 677 CD2 LEU A 51 -5.234 -6.833 -3.101 1.00 0.00 C ATOM 0 H LEU A 51 -4.730 -9.840 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.543 -7.680 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.172 -8.497 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.291 -7.534 0.036 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.364 -5.889 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.184 -4.761 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.497 -5.383 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.381 -6.249 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.101 -5.916 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.343 -7.453 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.098 -7.378 -3.482 1.00 0.00 H new ATOM 689 N GLY A 52 -5.158 -9.939 1.393 1.00 0.00 N ATOM 690 CA GLY A 52 -5.380 -10.413 2.739 1.00 0.00 C ATOM 691 C GLY A 52 -4.262 -11.307 3.225 1.00 0.00 C ATOM 692 O GLY A 52 -4.447 -12.516 3.363 1.00 0.00 O ATOM 0 H GLY A 52 -5.515 -10.551 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.478 -9.560 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.322 -10.960 2.778 1.00 0.00 H new ATOM 696 N ALA A 53 -3.104 -10.716 3.507 1.00 0.00 N ATOM 697 CA ALA A 53 -1.958 -11.481 3.984 1.00 0.00 C ATOM 698 C ALA A 53 -2.185 -11.933 5.419 1.00 0.00 C ATOM 699 O ALA A 53 -1.508 -12.836 5.919 1.00 0.00 O ATOM 700 CB ALA A 53 -0.684 -10.656 3.886 1.00 0.00 C ATOM 0 H ALA A 53 -2.936 -9.714 3.414 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.846 -12.362 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.159 -11.245 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.512 -10.374 2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.785 -9.757 4.494 1.00 0.00 H new ATOM 706 N GLY A 54 -3.142 -11.292 6.069 1.00 0.00 N ATOM 707 CA GLY A 54 -3.472 -11.626 7.436 1.00 0.00 C ATOM 708 C GLY A 54 -4.955 -11.522 7.691 1.00 0.00 C ATOM 709 O GLY A 54 -5.377 -10.923 8.676 1.00 0.00 O ATOM 0 H GLY A 54 -3.701 -10.539 5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.135 -12.639 7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.938 -10.959 8.113 1.00 0.00 H new ATOM 713 N LEU A 55 -5.743 -12.106 6.787 1.00 0.00 N ATOM 714 CA LEU A 55 -7.204 -12.053 6.867 1.00 0.00 C ATOM 715 C LEU A 55 -7.690 -10.606 6.938 1.00 0.00 C ATOM 716 O LEU A 55 -8.460 -10.235 7.824 1.00 0.00 O ATOM 717 CB LEU A 55 -7.708 -12.845 8.077 1.00 0.00 C ATOM 718 CG LEU A 55 -8.157 -14.275 7.775 1.00 0.00 C ATOM 719 CD1 LEU A 55 -8.384 -15.039 9.068 1.00 0.00 C ATOM 720 CD2 LEU A 55 -9.420 -14.265 6.921 1.00 0.00 C ATOM 0 H LEU A 55 -5.390 -12.626 5.984 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.609 -12.508 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.916 -12.880 8.825 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.543 -12.305 8.523 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.371 -14.779 7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.703 -16.056 8.839 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.457 -15.070 9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.155 -14.540 9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.728 -15.290 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.217 -13.748 7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.220 -13.750 5.982 1.00 0.00 H new ATOM 732 N LEU A 56 -7.225 -9.795 5.999 1.00 0.00 N ATOM 733 CA LEU A 56 -7.560 -8.376 5.979 1.00 0.00 C ATOM 734 C LEU A 56 -8.833 -8.106 5.197 1.00 0.00 C ATOM 735 O LEU A 56 -9.376 -8.988 4.536 1.00 0.00 O ATOM 736 CB LEU A 56 -6.427 -7.564 5.362 1.00 0.00 C ATOM 737 CG LEU A 56 -5.123 -7.594 6.140 1.00 0.00 C ATOM 738 CD1 LEU A 56 -3.951 -7.368 5.202 1.00 0.00 C ATOM 739 CD2 LEU A 56 -5.151 -6.549 7.243 1.00 0.00 C ATOM 0 H LEU A 56 -6.614 -10.094 5.239 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.714 -8.076 7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.241 -7.935 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.752 -6.528 5.266 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.003 -8.574 6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.021 -7.391 5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.934 -8.152 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.055 -6.398 4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.212 -6.578 7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.283 -5.560 6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.978 -6.758 7.922 1.00 0.00 H new ATOM 751 N ASN A 57 -9.281 -6.867 5.272 1.00 0.00 N ATOM 752 CA ASN A 57 -10.420 -6.402 4.508 1.00 0.00 C ATOM 753 C ASN A 57 -9.938 -5.355 3.519 1.00 0.00 C ATOM 754 O ASN A 57 -8.741 -5.067 3.449 1.00 0.00 O ATOM 755 CB ASN A 57 -11.486 -5.803 5.428 1.00 0.00 C ATOM 756 CG ASN A 57 -12.650 -6.742 5.678 1.00 0.00 C ATOM 757 OD1 ASN A 57 -13.271 -7.248 4.741 1.00 0.00 O ATOM 758 ND2 ASN A 57 -12.964 -6.970 6.949 1.00 0.00 N ATOM 0 H ASN A 57 -8.862 -6.153 5.868 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.870 -7.242 3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.028 -5.539 6.381 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.860 -4.879 4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.745 -7.584 7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.424 -6.531 7.694 1.00 0.00 H new ATOM 765 N GLY A 58 -10.855 -4.797 2.759 1.00 0.00 N ATOM 766 CA GLY A 58 -10.490 -3.773 1.807 1.00 0.00 C ATOM 767 C GLY A 58 -10.784 -2.396 2.353 1.00 0.00 C ATOM 768 O GLY A 58 -10.423 -2.079 3.487 1.00 0.00 O ATOM 0 H GLY A 58 -11.847 -5.032 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.430 -3.855 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.038 -3.924 0.877 1.00 0.00 H new ATOM 772 N LEU A 59 -11.433 -1.575 1.551 1.00 0.00 N ATOM 773 CA LEU A 59 -11.936 -0.298 2.018 1.00 0.00 C ATOM 774 C LEU A 59 -13.062 -0.561 3.010 1.00 0.00 C ATOM 775 O LEU A 59 -13.675 -1.628 2.985 1.00 0.00 O ATOM 776 CB LEU A 59 -12.447 0.535 0.837 1.00 0.00 C ATOM 777 CG LEU A 59 -12.097 2.023 0.859 1.00 0.00 C ATOM 778 CD1 LEU A 59 -11.832 2.525 -0.552 1.00 0.00 C ATOM 779 CD2 LEU A 59 -13.215 2.824 1.507 1.00 0.00 C ATOM 0 H LEU A 59 -11.625 -1.771 0.569 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.138 0.263 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.052 0.104 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.532 0.439 0.794 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.191 2.156 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.584 3.586 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.999 1.971 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.722 2.379 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.949 3.881 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -14.137 2.686 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.363 2.480 2.531 1.00 0.00 H new ATOM 791 N SER A 60 -13.311 0.394 3.892 1.00 0.00 N ATOM 792 CA SER A 60 -14.335 0.245 4.917 1.00 0.00 C ATOM 793 C SER A 60 -15.686 -0.166 4.298 1.00 0.00 C ATOM 794 O SER A 60 -16.355 0.641 3.646 1.00 0.00 O ATOM 795 CB SER A 60 -14.443 1.553 5.722 1.00 0.00 C ATOM 796 OG SER A 60 -15.712 2.171 5.576 1.00 0.00 O ATOM 0 H SER A 60 -12.816 1.285 3.919 1.00 0.00 H new ATOM 0 HA SER A 60 -14.050 -0.557 5.598 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.262 1.344 6.776 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.665 2.243 5.396 1.00 0.00 H new ATOM 0 HG SER A 60 -16.038 2.037 4.662 1.00 0.00 H new ATOM 802 N GLY A 61 -16.053 -1.437 4.478 1.00 0.00 N ATOM 803 CA GLY A 61 -17.308 -1.946 3.939 1.00 0.00 C ATOM 804 C GLY A 61 -17.359 -1.873 2.425 1.00 0.00 C ATOM 805 O GLY A 61 -18.423 -1.667 1.839 1.00 0.00 O ATOM 0 H GLY A 61 -15.501 -2.125 4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.443 -2.980 4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.138 -1.375 4.356 1.00 0.00 H new ATOM 809 N ASN A 62 -16.209 -2.047 1.796 1.00 0.00 N ATOM 810 CA ASN A 62 -16.094 -1.924 0.352 1.00 0.00 C ATOM 811 C ASN A 62 -15.464 -3.178 -0.239 1.00 0.00 C ATOM 812 O ASN A 62 -14.247 -3.363 -0.180 1.00 0.00 O ATOM 813 CB ASN A 62 -15.250 -0.692 0.022 1.00 0.00 C ATOM 814 CG ASN A 62 -15.114 -0.400 -1.460 1.00 0.00 C ATOM 815 OD1 ASN A 62 -14.599 -1.205 -2.240 1.00 0.00 O ATOM 816 ND2 ASN A 62 -15.555 0.781 -1.853 1.00 0.00 N ATOM 0 H ASN A 62 -15.334 -2.276 2.268 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.086 -1.809 -0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -15.691 0.176 0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.255 -0.825 0.446 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.476 1.055 -2.832 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.975 1.419 -1.177 1.00 0.00 H new ATOM 823 N THR A 63 -16.294 -4.040 -0.794 1.00 0.00 N ATOM 824 CA THR A 63 -15.816 -5.261 -1.420 1.00 0.00 C ATOM 825 C THR A 63 -15.339 -4.997 -2.849 1.00 0.00 C ATOM 826 O THR A 63 -16.045 -5.281 -3.818 1.00 0.00 O ATOM 827 CB THR A 63 -16.919 -6.334 -1.435 1.00 0.00 C ATOM 828 OG1 THR A 63 -18.075 -5.856 -0.727 1.00 0.00 O ATOM 829 CG2 THR A 63 -16.428 -7.631 -0.799 1.00 0.00 C ATOM 0 H THR A 63 -17.306 -3.918 -0.825 1.00 0.00 H new ATOM 0 HA THR A 63 -14.974 -5.623 -0.831 1.00 0.00 H new ATOM 0 HB THR A 63 -17.184 -6.537 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 63 -18.774 -6.542 -0.741 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.226 -8.373 -0.822 1.00 0.00 H new ATOM 0 HG22 THR A 63 -15.568 -8.006 -1.354 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.138 -7.442 0.235 1.00 0.00 H new ATOM 837 N GLY A 64 -14.146 -4.433 -2.969 1.00 0.00 N ATOM 838 CA GLY A 64 -13.588 -4.153 -4.275 1.00 0.00 C ATOM 839 C GLY A 64 -12.243 -3.468 -4.179 1.00 0.00 C ATOM 840 O GLY A 64 -11.252 -3.934 -4.744 1.00 0.00 O ATOM 0 H GLY A 64 -13.554 -4.164 -2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.482 -5.084 -4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.277 -3.522 -4.837 1.00 0.00 H new ATOM 844 N SER A 65 -12.210 -2.350 -3.476 1.00 0.00 N ATOM 845 CA SER A 65 -10.967 -1.646 -3.242 1.00 0.00 C ATOM 846 C SER A 65 -10.312 -2.182 -1.981 1.00 0.00 C ATOM 847 O SER A 65 -10.960 -2.291 -0.946 1.00 0.00 O ATOM 848 CB SER A 65 -11.221 -0.144 -3.109 1.00 0.00 C ATOM 849 OG SER A 65 -11.276 0.479 -4.381 1.00 0.00 O ATOM 0 H SER A 65 -13.031 -1.912 -3.058 1.00 0.00 H new ATOM 0 HA SER A 65 -10.301 -1.806 -4.090 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.158 0.024 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.430 0.310 -2.512 1.00 0.00 H new ATOM 0 HG SER A 65 -10.395 0.429 -4.808 1.00 0.00 H new ATOM 855 N ALA A 66 -9.037 -2.533 -2.069 1.00 0.00 N ATOM 856 CA ALA A 66 -8.317 -3.066 -0.923 1.00 0.00 C ATOM 857 C ALA A 66 -6.979 -2.358 -0.760 1.00 0.00 C ATOM 858 O ALA A 66 -6.420 -1.844 -1.729 1.00 0.00 O ATOM 859 CB ALA A 66 -8.128 -4.570 -1.067 1.00 0.00 C ATOM 0 H ALA A 66 -8.481 -2.458 -2.921 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.906 -2.885 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.588 -4.953 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.102 -5.055 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.559 -4.780 -1.972 1.00 0.00 H new ATOM 865 N CYS A 67 -6.475 -2.331 0.461 1.00 0.00 N ATOM 866 CA CYS A 67 -5.265 -1.581 0.766 1.00 0.00 C ATOM 867 C CYS A 67 -4.156 -2.501 1.256 1.00 0.00 C ATOM 868 O CYS A 67 -4.375 -3.376 2.095 1.00 0.00 O ATOM 869 CB CYS A 67 -5.554 -0.525 1.832 1.00 0.00 C ATOM 870 SG CYS A 67 -5.677 1.182 1.214 1.00 0.00 S ATOM 0 H CYS A 67 -6.883 -2.819 1.258 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.935 -1.095 -0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.488 -0.782 2.332 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.767 -0.566 2.585 1.00 0.00 H new ATOM 875 N ALA A 68 -2.958 -2.279 0.738 1.00 0.00 N ATOM 876 CA ALA A 68 -1.796 -3.046 1.148 1.00 0.00 C ATOM 877 C ALA A 68 -0.897 -2.205 2.040 1.00 0.00 C ATOM 878 O ALA A 68 -0.794 -0.992 1.862 1.00 0.00 O ATOM 879 CB ALA A 68 -1.022 -3.535 -0.067 1.00 0.00 C ATOM 0 H ALA A 68 -2.766 -1.570 0.030 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.138 -3.914 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.155 -4.108 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.666 -4.168 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.691 -2.680 -0.656 1.00 0.00 H new ATOM 885 N LYS A 69 -0.248 -2.853 2.994 1.00 0.00 N ATOM 886 CA LYS A 69 0.633 -2.167 3.929 1.00 0.00 C ATOM 887 C LYS A 69 2.080 -2.393 3.526 1.00 0.00 C ATOM 888 O LYS A 69 2.358 -3.249 2.689 1.00 0.00 O ATOM 889 CB LYS A 69 0.397 -2.688 5.351 1.00 0.00 C ATOM 890 CG LYS A 69 -0.653 -1.909 6.133 1.00 0.00 C ATOM 891 CD LYS A 69 -2.066 -2.202 5.640 1.00 0.00 C ATOM 892 CE LYS A 69 -2.380 -3.690 5.656 1.00 0.00 C ATOM 893 NZ LYS A 69 -3.836 -3.950 5.794 1.00 0.00 N ATOM 0 H LYS A 69 -0.315 -3.860 3.143 1.00 0.00 H new ATOM 0 HA LYS A 69 0.417 -1.099 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.093 -3.733 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.339 -2.657 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.578 -2.161 7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.452 -0.841 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.785 -1.673 6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.183 -1.818 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.016 -4.147 4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.847 -4.164 6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.082 -4.824 5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.076 -4.054 6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.371 -3.154 5.391 1.00 0.00 H new ATOM 907 N ALA A 70 2.999 -1.647 4.127 1.00 0.00 N ATOM 908 CA ALA A 70 4.419 -1.807 3.829 1.00 0.00 C ATOM 909 C ALA A 70 4.886 -3.220 4.160 1.00 0.00 C ATOM 910 O ALA A 70 5.708 -3.799 3.450 1.00 0.00 O ATOM 911 CB ALA A 70 5.244 -0.782 4.584 1.00 0.00 C ATOM 0 H ALA A 70 2.789 -0.929 4.820 1.00 0.00 H new ATOM 0 HA ALA A 70 4.562 -1.642 2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.299 -0.919 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.934 0.221 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.093 -0.911 5.656 1.00 0.00 H new ATOM 917 N SER A 71 4.334 -3.780 5.230 1.00 0.00 N ATOM 918 CA SER A 71 4.634 -5.146 5.625 1.00 0.00 C ATOM 919 C SER A 71 4.184 -6.127 4.544 1.00 0.00 C ATOM 920 O SER A 71 4.757 -7.204 4.390 1.00 0.00 O ATOM 921 CB SER A 71 3.929 -5.457 6.942 1.00 0.00 C ATOM 922 OG SER A 71 2.969 -4.453 7.241 1.00 0.00 O ATOM 0 H SER A 71 3.672 -3.303 5.842 1.00 0.00 H new ATOM 0 HA SER A 71 5.711 -5.251 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.440 -6.429 6.879 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.661 -5.520 7.747 1.00 0.00 H new ATOM 0 HG SER A 71 2.639 -4.578 8.155 1.00 0.00 H new ATOM 928 N LEU A 72 3.165 -5.731 3.789 1.00 0.00 N ATOM 929 CA LEU A 72 2.601 -6.566 2.737 1.00 0.00 C ATOM 930 C LEU A 72 3.424 -6.455 1.463 1.00 0.00 C ATOM 931 O LEU A 72 3.440 -7.375 0.637 1.00 0.00 O ATOM 932 CB LEU A 72 1.161 -6.149 2.450 1.00 0.00 C ATOM 933 CG LEU A 72 0.089 -7.075 3.020 1.00 0.00 C ATOM 934 CD1 LEU A 72 0.100 -7.036 4.540 1.00 0.00 C ATOM 935 CD2 LEU A 72 -1.282 -6.696 2.490 1.00 0.00 C ATOM 0 H LEU A 72 2.708 -4.824 3.889 1.00 0.00 H new ATOM 0 HA LEU A 72 2.618 -7.601 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.003 -5.148 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.027 -6.086 1.370 1.00 0.00 H new ATOM 0 HG LEU A 72 0.313 -8.093 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.671 -7.702 4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.075 -7.359 4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.096 -6.019 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.032 -7.368 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.513 -5.670 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.287 -6.778 1.403 1.00 0.00 H new ATOM 947 N ILE A 73 4.111 -5.327 1.314 1.00 0.00 N ATOM 948 CA ILE A 73 4.937 -5.078 0.140 1.00 0.00 C ATOM 949 C ILE A 73 6.072 -6.099 0.072 1.00 0.00 C ATOM 950 O ILE A 73 6.434 -6.575 -1.003 1.00 0.00 O ATOM 951 CB ILE A 73 5.492 -3.622 0.143 1.00 0.00 C ATOM 952 CG1 ILE A 73 4.574 -2.706 -0.677 1.00 0.00 C ATOM 953 CG2 ILE A 73 6.919 -3.554 -0.399 1.00 0.00 C ATOM 954 CD1 ILE A 73 3.804 -1.693 0.154 1.00 0.00 C ATOM 0 H ILE A 73 4.111 -4.568 1.996 1.00 0.00 H new ATOM 0 HA ILE A 73 4.317 -5.189 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 73 5.516 -3.282 1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.175 -2.173 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.864 -3.322 -1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.267 -2.521 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.573 -4.169 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.937 -3.923 -1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.179 -1.085 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.174 -2.216 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.505 -1.050 0.686 1.00 0.00 H new ATOM 966 N ASP A 74 6.600 -6.460 1.234 1.00 0.00 N ATOM 967 CA ASP A 74 7.647 -7.474 1.319 1.00 0.00 C ATOM 968 C ASP A 74 7.063 -8.821 1.732 1.00 0.00 C ATOM 969 O ASP A 74 7.788 -9.793 1.933 1.00 0.00 O ATOM 970 CB ASP A 74 8.735 -7.049 2.312 1.00 0.00 C ATOM 971 CG ASP A 74 10.123 -7.471 1.870 1.00 0.00 C ATOM 972 OD1 ASP A 74 10.589 -6.997 0.814 1.00 0.00 O ATOM 973 OD2 ASP A 74 10.768 -8.272 2.585 1.00 0.00 O ATOM 0 H ASP A 74 6.321 -6.066 2.133 1.00 0.00 H new ATOM 0 HA ASP A 74 8.095 -7.576 0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.709 -5.966 2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.521 -7.483 3.288 1.00 0.00 H new ATOM 978 N GLN A 75 5.742 -8.869 1.856 1.00 0.00 N ATOM 979 CA GLN A 75 5.056 -10.090 2.271 1.00 0.00 C ATOM 980 C GLN A 75 4.581 -10.884 1.071 1.00 0.00 C ATOM 981 O GLN A 75 4.878 -12.069 0.936 1.00 0.00 O ATOM 982 CB GLN A 75 3.853 -9.757 3.153 1.00 0.00 C ATOM 983 CG GLN A 75 3.730 -10.643 4.377 1.00 0.00 C ATOM 984 CD GLN A 75 5.053 -10.851 5.074 1.00 0.00 C ATOM 985 OE1 GLN A 75 5.430 -11.979 5.379 1.00 0.00 O ATOM 986 NE2 GLN A 75 5.765 -9.765 5.330 1.00 0.00 N ATOM 0 H GLN A 75 5.124 -8.078 1.676 1.00 0.00 H new ATOM 0 HA GLN A 75 5.770 -10.690 2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.926 -8.718 3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.943 -9.845 2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.021 -10.197 5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.322 -11.610 4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.412 -8.848 5.058 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.667 -9.845 5.799 1.00 0.00 H new ATOM 995 N LEU A 76 3.834 -10.226 0.204 1.00 0.00 N ATOM 996 CA LEU A 76 3.237 -10.898 -0.937 1.00 0.00 C ATOM 997 C LEU A 76 3.645 -10.226 -2.239 1.00 0.00 C ATOM 998 O LEU A 76 3.746 -10.878 -3.277 1.00 0.00 O ATOM 999 CB LEU A 76 1.714 -10.914 -0.810 1.00 0.00 C ATOM 1000 CG LEU A 76 1.098 -12.225 -0.299 1.00 0.00 C ATOM 1001 CD1 LEU A 76 1.772 -13.433 -0.939 1.00 0.00 C ATOM 1002 CD2 LEU A 76 1.193 -12.303 1.218 1.00 0.00 C ATOM 0 H LEU A 76 3.626 -9.229 0.267 1.00 0.00 H new ATOM 0 HA LEU A 76 3.601 -11.925 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.416 -10.109 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.285 -10.690 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 76 0.046 -12.236 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.316 -14.347 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.648 -13.388 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.834 -13.429 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.752 -13.238 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.240 -12.263 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.656 -11.464 1.660 1.00 0.00 H new ATOM 1014 N GLY A 77 3.869 -8.922 -2.183 1.00 0.00 N ATOM 1015 CA GLY A 77 4.261 -8.201 -3.379 1.00 0.00 C ATOM 1016 C GLY A 77 3.062 -7.696 -4.156 1.00 0.00 C ATOM 1017 O GLY A 77 2.946 -7.934 -5.359 1.00 0.00 O ATOM 0 H GLY A 77 3.788 -8.353 -1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.895 -7.359 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.858 -8.854 -4.017 1.00 0.00 H new ATOM 1021 N LEU A 78 2.162 -7.017 -3.454 1.00 0.00 N ATOM 1022 CA LEU A 78 0.940 -6.491 -4.055 1.00 0.00 C ATOM 1023 C LEU A 78 1.261 -5.560 -5.218 1.00 0.00 C ATOM 1024 O LEU A 78 1.818 -4.484 -5.025 1.00 0.00 O ATOM 1025 CB LEU A 78 0.127 -5.735 -3.001 1.00 0.00 C ATOM 1026 CG LEU A 78 -0.780 -6.605 -2.135 1.00 0.00 C ATOM 1027 CD1 LEU A 78 -1.673 -7.482 -2.999 1.00 0.00 C ATOM 1028 CD2 LEU A 78 0.052 -7.450 -1.186 1.00 0.00 C ATOM 0 H LEU A 78 2.257 -6.816 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 78 0.358 -7.330 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.816 -5.196 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.486 -4.988 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.423 -5.953 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.311 -8.093 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.294 -6.853 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.055 -8.130 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.607 -8.066 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.719 -8.093 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.642 -6.799 -0.541 1.00 0.00 H new ATOM 1040 N LEU A 79 0.904 -5.976 -6.423 1.00 0.00 N ATOM 1041 CA LEU A 79 1.199 -5.192 -7.618 1.00 0.00 C ATOM 1042 C LEU A 79 -0.004 -4.351 -8.037 1.00 0.00 C ATOM 1043 O LEU A 79 0.013 -3.708 -9.084 1.00 0.00 O ATOM 1044 CB LEU A 79 1.610 -6.120 -8.768 1.00 0.00 C ATOM 1045 CG LEU A 79 0.798 -7.417 -8.878 1.00 0.00 C ATOM 1046 CD1 LEU A 79 0.102 -7.500 -10.226 1.00 0.00 C ATOM 1047 CD2 LEU A 79 1.687 -8.631 -8.663 1.00 0.00 C ATOM 0 H LEU A 79 0.410 -6.850 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 79 2.023 -4.518 -7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.520 -5.572 -9.706 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.662 -6.377 -8.649 1.00 0.00 H new ATOM 0 HG LEU A 79 0.038 -7.408 -8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.469 -8.427 -10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.572 -6.651 -10.340 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.847 -7.482 -11.022 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.089 -9.539 -8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.473 -8.644 -9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.137 -8.582 -7.671 1.00 0.00 H new ATOM 1059 N ALA A 80 -1.046 -4.353 -7.215 1.00 0.00 N ATOM 1060 CA ALA A 80 -2.282 -3.661 -7.559 1.00 0.00 C ATOM 1061 C ALA A 80 -2.272 -2.211 -7.088 1.00 0.00 C ATOM 1062 O ALA A 80 -2.723 -1.316 -7.801 1.00 0.00 O ATOM 1063 CB ALA A 80 -3.477 -4.390 -6.965 1.00 0.00 C ATOM 0 H ALA A 80 -1.061 -4.823 -6.310 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.362 -3.657 -8.646 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.393 -3.862 -7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.516 -5.406 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.379 -4.425 -5.880 1.00 0.00 H new ATOM 1069 N LEU A 81 -1.756 -1.973 -5.886 1.00 0.00 N ATOM 1070 CA LEU A 81 -1.861 -0.651 -5.270 1.00 0.00 C ATOM 1071 C LEU A 81 -0.584 0.153 -5.443 1.00 0.00 C ATOM 1072 O LEU A 81 -0.531 1.318 -5.058 1.00 0.00 O ATOM 1073 CB LEU A 81 -2.169 -0.754 -3.770 1.00 0.00 C ATOM 1074 CG LEU A 81 -3.425 -1.540 -3.357 1.00 0.00 C ATOM 1075 CD1 LEU A 81 -4.430 -1.669 -4.490 1.00 0.00 C ATOM 1076 CD2 LEU A 81 -3.035 -2.905 -2.844 1.00 0.00 C ATOM 0 H LEU A 81 -1.266 -2.668 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.680 -0.143 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.309 -1.212 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.260 0.258 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.913 -0.976 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.297 -2.232 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.746 -0.676 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.968 -2.191 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.931 -3.454 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.512 -3.452 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.381 -2.795 -1.979 1.00 0.00 H new ATOM 1088 N VAL A 82 0.439 -0.461 -6.015 1.00 0.00 N ATOM 1089 CA VAL A 82 1.740 0.185 -6.114 1.00 0.00 C ATOM 1090 C VAL A 82 2.045 0.579 -7.549 1.00 0.00 C ATOM 1091 O VAL A 82 1.775 -0.178 -8.484 1.00 0.00 O ATOM 1092 CB VAL A 82 2.873 -0.722 -5.575 1.00 0.00 C ATOM 1093 CG1 VAL A 82 4.114 0.096 -5.245 1.00 0.00 C ATOM 1094 CG2 VAL A 82 2.411 -1.494 -4.348 1.00 0.00 C ATOM 0 H VAL A 82 0.396 -1.398 -6.415 1.00 0.00 H new ATOM 0 HA VAL A 82 1.695 1.083 -5.498 1.00 0.00 H new ATOM 0 HB VAL A 82 3.129 -1.436 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.895 -0.564 -4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.467 0.600 -6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.869 0.838 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.224 -2.124 -3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.120 -0.793 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.557 -2.118 -4.611 1.00 0.00 H new ATOM 1104 N ASP A 83 2.596 1.772 -7.711 1.00 0.00 N ATOM 1105 CA ASP A 83 2.958 2.274 -9.028 1.00 0.00 C ATOM 1106 C ASP A 83 4.448 2.570 -9.111 1.00 0.00 C ATOM 1107 O ASP A 83 5.171 2.477 -8.118 1.00 0.00 O ATOM 1108 CB ASP A 83 2.159 3.537 -9.372 1.00 0.00 C ATOM 1109 CG ASP A 83 2.095 3.794 -10.869 1.00 0.00 C ATOM 1110 OD1 ASP A 83 2.473 2.892 -11.651 1.00 0.00 O ATOM 1111 OD2 ASP A 83 1.660 4.884 -11.277 1.00 0.00 O ATOM 0 H ASP A 83 2.803 2.412 -6.945 1.00 0.00 H new ATOM 0 HA ASP A 83 2.716 1.496 -9.752 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.147 3.441 -8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.613 4.396 -8.878 1.00 0.00 H new ATOM 1116 N HIS A 84 4.886 2.922 -10.310 1.00 0.00 N ATOM 1117 CA HIS A 84 6.282 3.243 -10.585 1.00 0.00 C ATOM 1118 C HIS A 84 6.751 4.426 -9.741 1.00 0.00 C ATOM 1119 O HIS A 84 6.020 5.397 -9.553 1.00 0.00 O ATOM 1120 CB HIS A 84 6.474 3.552 -12.079 1.00 0.00 C ATOM 1121 CG HIS A 84 5.785 4.805 -12.545 1.00 0.00 C ATOM 1122 ND1 HIS A 84 6.391 6.045 -12.549 1.00 0.00 N ATOM 1123 CD2 HIS A 84 4.532 5.004 -13.023 1.00 0.00 C ATOM 1124 CE1 HIS A 84 5.537 6.949 -12.991 1.00 0.00 C ATOM 1125 NE2 HIS A 84 4.405 6.345 -13.289 1.00 0.00 N ATOM 0 H HIS A 84 4.280 2.994 -11.127 1.00 0.00 H new ATOM 0 HA HIS A 84 6.885 2.375 -10.320 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.541 3.639 -12.286 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.104 2.709 -12.663 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.774 4.248 -13.168 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.733 8.006 -13.091 1.00 0.00 H new ATOM 0 HE2 HIS A 84 3.570 6.800 -13.658 1.00 0.00 H new ATOM 1134 N THR A 85 7.978 4.345 -9.254 1.00 0.00 N ATOM 1135 CA THR A 85 8.522 5.371 -8.387 1.00 0.00 C ATOM 1136 C THR A 85 10.005 5.594 -8.673 1.00 0.00 C ATOM 1137 O THR A 85 10.665 4.747 -9.279 1.00 0.00 O ATOM 1138 CB THR A 85 8.330 4.971 -6.911 1.00 0.00 C ATOM 1139 OG1 THR A 85 8.934 5.934 -6.036 1.00 0.00 O ATOM 1140 CG2 THR A 85 8.921 3.591 -6.661 1.00 0.00 C ATOM 0 H THR A 85 8.617 3.574 -9.447 1.00 0.00 H new ATOM 0 HA THR A 85 7.988 6.301 -8.582 1.00 0.00 H new ATOM 0 HB THR A 85 7.261 4.943 -6.701 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.023 5.550 -5.139 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.780 3.319 -5.615 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.421 2.860 -7.297 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.986 3.604 -6.892 1.00 0.00 H new ATOM 1148 N GLU A 86 10.511 6.742 -8.249 1.00 0.00 N ATOM 1149 CA GLU A 86 11.924 7.054 -8.379 1.00 0.00 C ATOM 1150 C GLU A 86 12.551 7.180 -6.998 1.00 0.00 C ATOM 1151 O GLU A 86 13.640 7.731 -6.835 1.00 0.00 O ATOM 1152 CB GLU A 86 12.113 8.345 -9.169 1.00 0.00 C ATOM 1153 CG GLU A 86 12.448 8.111 -10.631 1.00 0.00 C ATOM 1154 CD GLU A 86 13.885 7.683 -10.828 1.00 0.00 C ATOM 1155 OE1 GLU A 86 14.791 8.521 -10.634 1.00 0.00 O ATOM 1156 OE2 GLU A 86 14.118 6.510 -11.181 1.00 0.00 O ATOM 0 H GLU A 86 9.958 7.477 -7.809 1.00 0.00 H new ATOM 0 HA GLU A 86 12.417 6.247 -8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.202 8.940 -9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.910 8.930 -8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.785 7.347 -11.036 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.263 9.025 -11.195 1.00 0.00 H new ATOM 1163 N GLU A 87 11.844 6.676 -6.004 1.00 0.00 N ATOM 1164 CA GLU A 87 12.324 6.707 -4.633 1.00 0.00 C ATOM 1165 C GLU A 87 11.987 5.390 -3.949 1.00 0.00 C ATOM 1166 O GLU A 87 12.735 4.415 -4.045 1.00 0.00 O ATOM 1167 CB GLU A 87 11.689 7.885 -3.884 1.00 0.00 C ATOM 1168 CG GLU A 87 12.471 8.330 -2.657 1.00 0.00 C ATOM 1169 CD GLU A 87 11.951 7.696 -1.383 1.00 0.00 C ATOM 1170 OE1 GLU A 87 10.716 7.647 -1.201 1.00 0.00 O ATOM 1171 OE2 GLU A 87 12.776 7.250 -0.559 1.00 0.00 O ATOM 0 H GLU A 87 10.930 6.238 -6.120 1.00 0.00 H new ATOM 0 HA GLU A 87 13.406 6.840 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.594 8.729 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.680 7.607 -3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.522 8.072 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.417 9.415 -2.568 1.00 0.00 H new ATOM 1178 N GLY A 88 10.851 5.371 -3.278 1.00 0.00 N ATOM 1179 CA GLY A 88 10.356 4.160 -2.668 1.00 0.00 C ATOM 1180 C GLY A 88 8.979 3.838 -3.194 1.00 0.00 C ATOM 1181 O GLY A 88 8.322 4.727 -3.734 1.00 0.00 O ATOM 0 H GLY A 88 10.254 6.187 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.036 3.334 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.321 4.277 -1.585 1.00 0.00 H new ATOM 1185 N PRO A 89 8.516 2.584 -3.071 1.00 0.00 N ATOM 1186 CA PRO A 89 7.218 2.155 -3.621 1.00 0.00 C ATOM 1187 C PRO A 89 6.072 3.066 -3.179 1.00 0.00 C ATOM 1188 O PRO A 89 5.918 3.348 -1.993 1.00 0.00 O ATOM 1189 CB PRO A 89 7.041 0.743 -3.055 1.00 0.00 C ATOM 1190 CG PRO A 89 8.426 0.268 -2.781 1.00 0.00 C ATOM 1191 CD PRO A 89 9.209 1.487 -2.374 1.00 0.00 C ATOM 0 HA PRO A 89 7.201 2.192 -4.710 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.439 0.753 -2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.533 0.092 -3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.432 -0.482 -1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 89 8.861 -0.198 -3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.200 1.628 -1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.253 1.414 -2.677 1.00 0.00 H new ATOM 1199 N VAL A 90 5.282 3.541 -4.130 1.00 0.00 N ATOM 1200 CA VAL A 90 4.231 4.495 -3.819 1.00 0.00 C ATOM 1201 C VAL A 90 2.878 3.996 -4.314 1.00 0.00 C ATOM 1202 O VAL A 90 2.814 3.119 -5.178 1.00 0.00 O ATOM 1203 CB VAL A 90 4.533 5.878 -4.435 1.00 0.00 C ATOM 1204 CG1 VAL A 90 5.784 6.484 -3.807 1.00 0.00 C ATOM 1205 CG2 VAL A 90 4.687 5.773 -5.946 1.00 0.00 C ATOM 0 H VAL A 90 5.348 3.284 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 90 4.195 4.597 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 90 3.691 6.537 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.980 7.458 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.632 6.601 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.635 5.826 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.899 6.759 -6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.508 5.096 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.764 5.389 -6.380 1.00 0.00 H new ATOM 1215 N CYS A 91 1.802 4.538 -3.751 1.00 0.00 N ATOM 1216 CA CYS A 91 0.456 4.157 -4.161 1.00 0.00 C ATOM 1217 C CYS A 91 0.168 4.602 -5.585 1.00 0.00 C ATOM 1218 O CYS A 91 0.587 5.677 -6.011 1.00 0.00 O ATOM 1219 CB CYS A 91 -0.576 4.760 -3.213 1.00 0.00 C ATOM 1220 SG CYS A 91 -0.003 4.878 -1.491 1.00 0.00 S ATOM 0 H CYS A 91 1.836 5.240 -3.012 1.00 0.00 H new ATOM 0 HA CYS A 91 0.390 3.070 -4.121 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -0.844 5.756 -3.567 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -1.483 4.156 -3.245 1.00 0.00 H new ATOM 1225 N LYS A 92 -0.554 3.757 -6.302 1.00 0.00 N ATOM 1226 CA LYS A 92 -0.864 3.981 -7.703 1.00 0.00 C ATOM 1227 C LYS A 92 -1.940 5.041 -7.878 1.00 0.00 C ATOM 1228 O LYS A 92 -1.889 5.846 -8.807 1.00 0.00 O ATOM 1229 CB LYS A 92 -1.345 2.669 -8.323 1.00 0.00 C ATOM 1230 CG LYS A 92 -1.338 2.661 -9.843 1.00 0.00 C ATOM 1231 CD LYS A 92 -0.448 1.552 -10.378 1.00 0.00 C ATOM 1232 CE LYS A 92 -0.728 1.264 -11.844 1.00 0.00 C ATOM 1233 NZ LYS A 92 0.051 2.161 -12.734 1.00 0.00 N ATOM 0 H LYS A 92 -0.943 2.892 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 92 0.040 4.333 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.713 1.857 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.357 2.464 -7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.354 2.527 -10.214 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.987 3.624 -10.214 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.598 1.834 -10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.604 0.646 -9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.481 0.226 -12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.793 1.387 -12.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.017 1.821 -13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.331 3.126 -12.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.048 2.165 -12.437 1.00 0.00 H new ATOM 1247 N ASN A 93 -2.916 5.037 -6.986 1.00 0.00 N ATOM 1248 CA ASN A 93 -4.086 5.885 -7.157 1.00 0.00 C ATOM 1249 C ASN A 93 -4.637 6.372 -5.825 1.00 0.00 C ATOM 1250 O ASN A 93 -4.492 7.539 -5.470 1.00 0.00 O ATOM 1251 CB ASN A 93 -5.176 5.117 -7.911 1.00 0.00 C ATOM 1252 CG ASN A 93 -5.136 5.352 -9.407 1.00 0.00 C ATOM 1253 OD1 ASN A 93 -5.108 6.491 -9.875 1.00 0.00 O ATOM 1254 ND2 ASN A 93 -5.151 4.268 -10.169 1.00 0.00 N ATOM 0 H ASN A 93 -2.924 4.462 -6.143 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.777 6.759 -7.730 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.065 4.051 -7.713 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.153 5.413 -7.528 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.139 4.359 -11.185 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.174 3.343 -9.740 1.00 0.00 H new ATOM 1261 N ILE A 94 -5.254 5.468 -5.081 1.00 0.00 N ATOM 1262 CA ILE A 94 -5.980 5.850 -3.883 1.00 0.00 C ATOM 1263 C ILE A 94 -5.066 5.900 -2.667 1.00 0.00 C ATOM 1264 O ILE A 94 -4.351 4.940 -2.370 1.00 0.00 O ATOM 1265 CB ILE A 94 -7.153 4.887 -3.602 1.00 0.00 C ATOM 1266 CG1 ILE A 94 -8.102 4.848 -4.801 1.00 0.00 C ATOM 1267 CG2 ILE A 94 -7.898 5.300 -2.339 1.00 0.00 C ATOM 1268 CD1 ILE A 94 -9.202 3.817 -4.678 1.00 0.00 C ATOM 0 H ILE A 94 -5.266 4.469 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.378 6.848 -4.065 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.751 3.886 -3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.553 5.832 -4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.525 4.643 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.721 4.608 -2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.214 5.279 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.292 6.309 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.833 3.850 -5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -8.761 2.825 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.805 4.032 -3.796 1.00 0.00 H new ATOM 1280 N VAL A 95 -5.091 7.035 -1.986 1.00 0.00 N ATOM 1281 CA VAL A 95 -4.375 7.200 -0.734 1.00 0.00 C ATOM 1282 C VAL A 95 -5.304 6.869 0.428 1.00 0.00 C ATOM 1283 O VAL A 95 -6.432 7.366 0.497 1.00 0.00 O ATOM 1284 CB VAL A 95 -3.819 8.637 -0.574 1.00 0.00 C ATOM 1285 CG1 VAL A 95 -2.785 8.927 -1.644 1.00 0.00 C ATOM 1286 CG2 VAL A 95 -4.928 9.680 -0.632 1.00 0.00 C ATOM 0 H VAL A 95 -5.606 7.863 -2.285 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.525 6.518 -0.738 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.350 8.697 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.405 9.941 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.962 8.217 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.244 8.832 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.498 10.675 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.439 9.615 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.642 9.497 0.171 1.00 0.00 H new ATOM 1296 N ALA A 96 -4.848 6.007 1.321 1.00 0.00 N ATOM 1297 CA ALA A 96 -5.676 5.556 2.424 1.00 0.00 C ATOM 1298 C ALA A 96 -4.822 5.105 3.602 1.00 0.00 C ATOM 1299 O ALA A 96 -3.658 4.736 3.433 1.00 0.00 O ATOM 1300 CB ALA A 96 -6.581 4.420 1.962 1.00 0.00 C ATOM 0 H ALA A 96 -3.910 5.607 1.303 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.291 6.392 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.200 4.086 2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.221 4.771 1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.970 3.589 1.608 1.00 0.00 H new ATOM 1306 N CYS A 97 -5.401 5.129 4.790 1.00 0.00 N ATOM 1307 CA CYS A 97 -4.732 4.616 5.969 1.00 0.00 C ATOM 1308 C CYS A 97 -5.346 3.275 6.359 1.00 0.00 C ATOM 1309 O CYS A 97 -6.569 3.137 6.430 1.00 0.00 O ATOM 1310 CB CYS A 97 -4.815 5.613 7.127 1.00 0.00 C ATOM 1311 SG CYS A 97 -5.504 7.245 6.679 1.00 0.00 S ATOM 0 H CYS A 97 -6.336 5.500 4.962 1.00 0.00 H new ATOM 0 HA CYS A 97 -3.676 4.471 5.740 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -5.427 5.180 7.919 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -3.816 5.756 7.538 1.00 0.00 H new ATOM 1316 N CYS A 98 -4.499 2.284 6.596 1.00 0.00 N ATOM 1317 CA CYS A 98 -4.957 0.920 6.816 1.00 0.00 C ATOM 1318 C CYS A 98 -4.100 0.214 7.857 1.00 0.00 C ATOM 1319 O CYS A 98 -2.874 0.300 7.825 1.00 0.00 O ATOM 1320 CB CYS A 98 -4.899 0.147 5.499 1.00 0.00 C ATOM 1321 SG CYS A 98 -5.706 -1.484 5.531 1.00 0.00 S ATOM 0 H CYS A 98 -3.487 2.400 6.641 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.982 0.956 7.184 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.364 0.751 4.720 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -3.854 0.014 5.219 1.00 0.00 H new ATOM 1326 N PRO A 99 -4.737 -0.492 8.800 1.00 0.00 N ATOM 1327 CA PRO A 99 -4.029 -1.273 9.804 1.00 0.00 C ATOM 1328 C PRO A 99 -3.673 -2.672 9.291 1.00 0.00 C ATOM 1329 O PRO A 99 -4.311 -3.189 8.369 1.00 0.00 O ATOM 1330 CB PRO A 99 -5.055 -1.359 10.927 1.00 0.00 C ATOM 1331 CG PRO A 99 -6.362 -1.427 10.217 1.00 0.00 C ATOM 1332 CD PRO A 99 -6.205 -0.584 8.972 1.00 0.00 C ATOM 0 HA PRO A 99 -3.078 -0.829 10.099 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.893 -2.239 11.549 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -5.002 -0.490 11.583 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.614 -2.456 9.962 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.168 -1.048 10.846 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.682 -1.049 8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.657 0.400 9.094 1.00 0.00 H new ATOM 1340 N GLU A 100 -2.648 -3.273 9.872 1.00 0.00 N ATOM 1341 CA GLU A 100 -2.273 -4.634 9.521 1.00 0.00 C ATOM 1342 C GLU A 100 -2.801 -5.601 10.571 1.00 0.00 C ATOM 1343 O GLU A 100 -2.592 -5.405 11.770 1.00 0.00 O ATOM 1344 CB GLU A 100 -0.748 -4.761 9.389 1.00 0.00 C ATOM 1345 CG GLU A 100 -0.306 -5.615 8.205 1.00 0.00 C ATOM 1346 CD GLU A 100 -1.003 -6.953 8.158 1.00 0.00 C ATOM 1347 OE1 GLU A 100 -2.114 -7.019 7.600 1.00 0.00 O ATOM 1348 OE2 GLU A 100 -0.446 -7.928 8.685 1.00 0.00 O ATOM 0 H GLU A 100 -2.062 -2.842 10.587 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.716 -4.882 8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.316 -3.765 9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.347 -5.192 10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.503 -5.075 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.771 -5.773 8.259 1.00 0.00 H new ATOM 1355 N GLY A 101 -3.513 -6.621 10.117 1.00 0.00 N ATOM 1356 CA GLY A 101 -3.997 -7.638 11.014 1.00 0.00 C ATOM 1357 C GLY A 101 -5.453 -7.466 11.387 1.00 0.00 C ATOM 1358 O GLY A 101 -6.034 -8.341 12.020 1.00 0.00 O ATOM 0 H GLY A 101 -3.763 -6.759 9.138 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.861 -8.615 10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.393 -7.629 11.922 1.00 0.00 H new ATOM 1362 N THR A 102 -6.064 -6.355 10.997 1.00 0.00 N ATOM 1363 CA THR A 102 -7.417 -6.064 11.456 1.00 0.00 C ATOM 1364 C THR A 102 -8.267 -5.337 10.419 1.00 0.00 C ATOM 1365 O THR A 102 -7.909 -4.255 9.960 1.00 0.00 O ATOM 1366 CB THR A 102 -7.372 -5.229 12.749 1.00 0.00 C ATOM 1367 OG1 THR A 102 -6.054 -4.687 12.934 1.00 0.00 O ATOM 1368 CG2 THR A 102 -7.738 -6.085 13.948 1.00 0.00 C ATOM 0 H THR A 102 -5.656 -5.654 10.378 1.00 0.00 H new ATOM 0 HA THR A 102 -7.888 -7.030 11.639 1.00 0.00 H new ATOM 0 HB THR A 102 -8.093 -4.416 12.661 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.031 -4.155 13.757 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.701 -5.479 14.853 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.745 -6.482 13.818 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.031 -6.910 14.035 1.00 0.00 H new ATOM 1376 N THR A 103 -9.383 -5.978 10.067 1.00 0.00 N ATOM 1377 CA THR A 103 -10.466 -5.379 9.277 1.00 0.00 C ATOM 1378 C THR A 103 -10.003 -4.507 8.106 1.00 0.00 C ATOM 1379 O THR A 103 -9.113 -4.893 7.342 1.00 0.00 O ATOM 1380 CB THR A 103 -11.414 -4.576 10.191 1.00 0.00 C ATOM 1381 OG1 THR A 103 -11.261 -5.012 11.548 1.00 0.00 O ATOM 1382 CG2 THR A 103 -12.868 -4.744 9.763 1.00 0.00 C ATOM 0 H THR A 103 -9.565 -6.947 10.327 1.00 0.00 H new ATOM 0 HA THR A 103 -10.991 -6.221 8.825 1.00 0.00 H new ATOM 0 HB THR A 103 -11.152 -3.521 10.108 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.863 -4.499 12.126 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.512 -4.166 10.426 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.989 -4.389 8.740 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.144 -5.797 9.817 1.00 0.00 H new ATOM 1390 N ASN A 104 -10.630 -3.344 7.966 1.00 0.00 N ATOM 1391 CA ASN A 104 -10.547 -2.572 6.736 1.00 0.00 C ATOM 1392 C ASN A 104 -9.774 -1.277 6.911 1.00 0.00 C ATOM 1393 O ASN A 104 -9.316 -0.943 8.003 1.00 0.00 O ATOM 1394 CB ASN A 104 -11.956 -2.258 6.199 1.00 0.00 C ATOM 1395 CG ASN A 104 -12.943 -1.807 7.266 1.00 0.00 C ATOM 1396 OD1 ASN A 104 -14.127 -2.130 7.196 1.00 0.00 O ATOM 1397 ND2 ASN A 104 -12.480 -1.045 8.248 1.00 0.00 N ATOM 0 H ASN A 104 -11.203 -2.916 8.693 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.005 -3.188 6.019 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -11.878 -1.480 5.439 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.351 -3.146 5.706 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -13.112 -0.709 8.974 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.492 -0.795 8.277 1.00 0.00 H new ATOM 1404 N CYS A 105 -9.665 -0.546 5.816 1.00 0.00 N ATOM 1405 CA CYS A 105 -8.904 0.687 5.774 1.00 0.00 C ATOM 1406 C CYS A 105 -9.799 1.871 5.431 1.00 0.00 C ATOM 1407 O CYS A 105 -10.847 1.708 4.799 1.00 0.00 O ATOM 1408 CB CYS A 105 -7.803 0.540 4.731 1.00 0.00 C ATOM 1409 SG CYS A 105 -7.356 -1.198 4.393 1.00 0.00 S ATOM 0 H CYS A 105 -10.104 -0.793 4.929 1.00 0.00 H new ATOM 0 HA CYS A 105 -8.469 0.876 6.756 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -8.126 1.012 3.803 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -6.917 1.077 5.070 1.00 0.00 H new ATOM 1414 N VAL A 106 -9.387 3.060 5.847 1.00 0.00 N ATOM 1415 CA VAL A 106 -10.143 4.268 5.562 1.00 0.00 C ATOM 1416 C VAL A 106 -9.475 5.060 4.443 1.00 0.00 C ATOM 1417 O VAL A 106 -8.250 5.182 4.399 1.00 0.00 O ATOM 1418 CB VAL A 106 -10.320 5.152 6.826 1.00 0.00 C ATOM 1419 CG1 VAL A 106 -10.629 4.292 8.040 1.00 0.00 C ATOM 1420 CG2 VAL A 106 -9.091 6.009 7.097 1.00 0.00 C ATOM 0 H VAL A 106 -8.533 3.213 6.383 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.138 3.965 5.236 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.159 5.821 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.750 4.929 8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.550 3.735 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.809 3.594 8.209 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.257 6.612 7.990 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.225 5.365 7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.910 6.665 6.245 1.00 0.00 H new ATOM 1430 N ALA A 107 -10.279 5.580 3.529 1.00 0.00 N ATOM 1431 CA ALA A 107 -9.751 6.284 2.369 1.00 0.00 C ATOM 1432 C ALA A 107 -9.919 7.791 2.519 1.00 0.00 C ATOM 1433 O ALA A 107 -10.937 8.263 3.029 1.00 0.00 O ATOM 1434 CB ALA A 107 -10.426 5.796 1.098 1.00 0.00 C ATOM 0 H ALA A 107 -11.297 5.529 3.567 1.00 0.00 H new ATOM 0 HA ALA A 107 -8.684 6.070 2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.019 6.333 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.245 4.728 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.499 5.977 1.163 1.00 0.00 H new ATOM 1440 N VAL A 108 -8.925 8.543 2.064 1.00 0.00 N ATOM 1441 CA VAL A 108 -8.950 9.997 2.187 1.00 0.00 C ATOM 1442 C VAL A 108 -8.825 10.668 0.824 1.00 0.00 C ATOM 1443 O VAL A 108 -8.478 11.843 0.720 1.00 0.00 O ATOM 1444 CB VAL A 108 -7.827 10.514 3.110 1.00 0.00 C ATOM 1445 CG1 VAL A 108 -8.313 10.612 4.550 1.00 0.00 C ATOM 1446 CG2 VAL A 108 -6.598 9.622 3.019 1.00 0.00 C ATOM 0 H VAL A 108 -8.092 8.172 1.607 1.00 0.00 H new ATOM 0 HA VAL A 108 -9.912 10.254 2.629 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.548 11.513 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.505 10.979 5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.156 11.301 4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.626 9.627 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -5.820 10.006 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.861 8.608 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.231 9.611 1.993 1.00 0.00 H new ATOM 1456 N ASP A 109 -9.138 9.920 -0.220 1.00 0.00 N ATOM 1457 CA ASP A 109 -9.033 10.418 -1.586 1.00 0.00 C ATOM 1458 C ASP A 109 -10.343 11.066 -2.031 1.00 0.00 C ATOM 1459 O ASP A 109 -10.610 11.209 -3.225 1.00 0.00 O ATOM 1460 CB ASP A 109 -8.666 9.277 -2.540 1.00 0.00 C ATOM 1461 CG ASP A 109 -9.778 8.253 -2.677 1.00 0.00 C ATOM 1462 OD1 ASP A 109 -10.245 7.733 -1.639 1.00 0.00 O ATOM 1463 OD2 ASP A 109 -10.189 7.966 -3.821 1.00 0.00 O ATOM 0 H ASP A 109 -9.470 8.958 -0.149 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.247 11.173 -1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.433 9.689 -3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.764 8.783 -2.180 1.00 0.00 H new