USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 397 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 35 GLN : amide:sc= -1.52 X(o=-0.8,f=-0.89) USER MOD Set 1.2: A 39 SER OG : rot 78:sc= 0.724 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.514 USER MOD Set 2.2: A 15 GLN : amide:sc= 0.918 K(o=1.4,f=-4.7!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 154:sc= 0.809 (180deg=0.459) USER MOD Single : A 24 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.2!) USER MOD Single : A 26 ASN : amide:sc= -0.0596 K(o=-0.06,f=-1) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.000968 USER MOD Single : A 36 GLN : amide:sc= -0.642 K(o=-0.64,f=-2) USER MOD Single : A 38 SER OG : rot 57:sc= 1.22 USER MOD Single : A 44 ASN : amide:sc= -0.648 K(o=-0.65,f=-6.3!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.8) USER MOD Single : A 54 ASN : amide:sc= -0.0314 X(o=-0.031,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 160 N PHE A 11 -6.670 -8.346 -6.108 1.00 0.00 N ATOM 161 CA PHE A 11 -5.724 -7.341 -6.586 1.00 0.00 C ATOM 162 C PHE A 11 -4.851 -7.941 -7.812 1.00 0.00 C ATOM 163 O PHE A 11 -4.588 -9.117 -7.795 1.00 0.00 O ATOM 164 CB PHE A 11 -4.769 -6.905 -5.477 1.00 0.00 C ATOM 165 CG PHE A 11 -5.177 -6.004 -4.301 1.00 0.00 C ATOM 166 CD1 PHE A 11 -6.101 -6.437 -3.338 1.00 0.00 C ATOM 167 CD2 PHE A 11 -4.410 -4.839 -4.046 1.00 0.00 C ATOM 168 CE1 PHE A 11 -6.230 -5.703 -2.102 1.00 0.00 C ATOM 169 CE2 PHE A 11 -4.598 -4.109 -2.882 1.00 0.00 C ATOM 170 CZ PHE A 11 -5.497 -4.533 -1.888 1.00 0.00 C ATOM 0 HA PHE A 11 -6.301 -6.478 -6.918 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.374 -7.821 -5.037 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.937 -6.404 -5.971 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.709 -7.311 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.672 -4.517 -4.766 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.900 -6.062 -1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.042 -3.195 -2.736 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.619 -3.966 -0.977 1.00 0.00 H new ATOM 180 N SER A 12 -4.604 -7.155 -8.869 1.00 0.00 N ATOM 181 CA SER A 12 -3.748 -7.535 -10.030 1.00 0.00 C ATOM 182 C SER A 12 -2.281 -7.411 -9.587 1.00 0.00 C ATOM 183 O SER A 12 -1.875 -6.622 -8.733 1.00 0.00 O ATOM 184 CB SER A 12 -3.952 -6.668 -11.288 1.00 0.00 C ATOM 185 OG SER A 12 -3.130 -5.511 -11.263 1.00 0.00 O ATOM 0 H SER A 12 -4.995 -6.217 -8.954 1.00 0.00 H new ATOM 0 HA SER A 12 -4.028 -8.550 -10.313 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.726 -7.257 -12.177 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.998 -6.371 -11.360 1.00 0.00 H new ATOM 0 HG SER A 12 -3.282 -4.984 -12.075 1.00 0.00 H new ATOM 191 N SER A 13 -1.356 -7.990 -10.417 1.00 0.00 N ATOM 192 CA SER A 13 0.140 -8.083 -10.292 1.00 0.00 C ATOM 193 C SER A 13 0.705 -6.761 -10.592 1.00 0.00 C ATOM 194 O SER A 13 1.781 -6.401 -10.027 1.00 0.00 O ATOM 195 CB SER A 13 0.776 -9.063 -11.294 1.00 0.00 C ATOM 196 OG SER A 13 0.059 -10.302 -11.383 1.00 0.00 O ATOM 0 H SER A 13 -1.668 -8.448 -11.273 1.00 0.00 H new ATOM 0 HA SER A 13 0.352 -8.433 -9.282 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.813 -8.597 -12.279 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.805 -9.263 -10.997 1.00 0.00 H new ATOM 0 HG SER A 13 0.500 -10.889 -12.032 1.00 0.00 H new ATOM 202 N GLU A 14 0.233 -6.045 -11.617 1.00 0.00 N ATOM 203 CA GLU A 14 0.741 -4.689 -11.843 1.00 0.00 C ATOM 204 C GLU A 14 0.347 -3.766 -10.645 1.00 0.00 C ATOM 205 O GLU A 14 1.183 -2.978 -10.245 1.00 0.00 O ATOM 206 CB GLU A 14 0.130 -4.139 -13.167 1.00 0.00 C ATOM 207 CG GLU A 14 0.949 -2.942 -13.765 1.00 0.00 C ATOM 208 CD GLU A 14 2.486 -3.138 -13.861 1.00 0.00 C ATOM 209 OE1 GLU A 14 3.254 -2.289 -13.271 1.00 0.00 O ATOM 210 OE2 GLU A 14 3.015 -4.168 -14.376 1.00 0.00 O ATOM 0 H GLU A 14 -0.473 -6.365 -12.280 1.00 0.00 H new ATOM 0 HA GLU A 14 1.828 -4.709 -11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.083 -4.943 -13.901 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.894 -3.816 -12.982 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.568 -2.733 -14.765 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.754 -2.058 -13.158 1.00 0.00 H new ATOM 217 N GLN A 15 -0.893 -3.891 -10.114 1.00 0.00 N ATOM 218 CA GLN A 15 -1.316 -3.034 -8.995 1.00 0.00 C ATOM 219 C GLN A 15 -0.411 -3.277 -7.758 1.00 0.00 C ATOM 220 O GLN A 15 -0.102 -2.353 -7.033 1.00 0.00 O ATOM 221 CB GLN A 15 -2.773 -3.188 -8.649 1.00 0.00 C ATOM 222 CG GLN A 15 -3.922 -2.510 -9.525 1.00 0.00 C ATOM 223 CD GLN A 15 -5.266 -3.264 -9.354 1.00 0.00 C ATOM 224 OE1 GLN A 15 -5.377 -4.500 -9.309 1.00 0.00 O ATOM 225 NE2 GLN A 15 -6.400 -2.590 -9.130 1.00 0.00 N ATOM 0 H GLN A 15 -1.595 -4.558 -10.435 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.197 -2.001 -9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.981 -4.258 -8.630 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.896 -2.821 -7.630 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.044 -1.468 -9.228 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.632 -2.510 -10.576 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.399 -1.570 -9.148 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.265 -3.096 -8.941 1.00 0.00 H new ATOM 234 N LEU A 16 -0.118 -4.569 -7.460 1.00 0.00 N ATOM 235 CA LEU A 16 0.863 -4.889 -6.399 1.00 0.00 C ATOM 236 C LEU A 16 2.285 -4.391 -6.740 1.00 0.00 C ATOM 237 O LEU A 16 3.031 -4.058 -5.791 1.00 0.00 O ATOM 238 CB LEU A 16 0.714 -6.395 -5.965 1.00 0.00 C ATOM 239 CG LEU A 16 -0.607 -7.076 -5.439 1.00 0.00 C ATOM 240 CD1 LEU A 16 -0.562 -8.431 -4.778 1.00 0.00 C ATOM 241 CD2 LEU A 16 -1.158 -6.159 -4.338 1.00 0.00 C ATOM 0 H LEU A 16 -0.532 -5.378 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 16 0.641 -4.319 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.027 -6.983 -6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.459 -6.553 -5.185 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.176 -7.222 -6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.570 -8.727 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.156 -9.163 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.072 -8.383 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.078 -6.585 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.422 -6.066 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.366 -5.174 -4.755 1.00 0.00 H new ATOM 253 N ALA A 17 2.682 -4.371 -8.042 1.00 0.00 N ATOM 254 CA ALA A 17 4.134 -4.177 -8.412 1.00 0.00 C ATOM 255 C ALA A 17 4.541 -2.725 -7.979 1.00 0.00 C ATOM 256 O ALA A 17 5.762 -2.471 -7.839 1.00 0.00 O ATOM 257 CB ALA A 17 4.462 -4.355 -9.911 1.00 0.00 C ATOM 0 H ALA A 17 2.051 -4.482 -8.836 1.00 0.00 H new ATOM 0 HA ALA A 17 4.694 -4.958 -7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.528 -4.195 -10.072 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.195 -5.364 -10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.894 -3.631 -10.496 1.00 0.00 H new ATOM 263 N ARG A 18 3.618 -1.759 -7.648 1.00 0.00 N ATOM 264 CA ARG A 18 4.123 -0.440 -7.065 1.00 0.00 C ATOM 265 C ARG A 18 3.998 -0.480 -5.487 1.00 0.00 C ATOM 266 O ARG A 18 4.845 0.069 -4.791 1.00 0.00 O ATOM 267 CB ARG A 18 3.237 0.815 -7.547 1.00 0.00 C ATOM 268 CG ARG A 18 3.777 1.770 -8.647 1.00 0.00 C ATOM 269 CD ARG A 18 4.924 2.688 -8.224 1.00 0.00 C ATOM 270 NE ARG A 18 4.465 3.929 -7.630 1.00 0.00 N ATOM 271 CZ ARG A 18 4.318 5.101 -8.228 1.00 0.00 C ATOM 272 NH1 ARG A 18 4.373 5.292 -9.500 1.00 0.00 N ATOM 273 NH2 ARG A 18 4.100 6.137 -7.480 1.00 0.00 N ATOM 0 H ARG A 18 2.607 -1.841 -7.757 1.00 0.00 H new ATOM 0 HA ARG A 18 5.152 -0.323 -7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.283 0.422 -7.898 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.027 1.421 -6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.111 1.168 -9.493 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.953 2.389 -9.002 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.559 2.163 -7.510 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.541 2.914 -9.094 1.00 0.00 H new ATOM 0 HE ARG A 18 4.228 3.895 -6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.541 4.505 -10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.249 6.230 -9.881 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.047 6.032 -6.467 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.982 7.057 -7.905 1.00 0.00 H new ATOM 287 N LEU A 19 2.957 -1.238 -4.966 1.00 0.00 N ATOM 288 CA LEU A 19 2.817 -1.460 -3.570 1.00 0.00 C ATOM 289 C LEU A 19 4.094 -2.030 -2.930 1.00 0.00 C ATOM 290 O LEU A 19 4.677 -1.619 -1.918 1.00 0.00 O ATOM 291 CB LEU A 19 1.561 -2.352 -3.314 1.00 0.00 C ATOM 292 CG LEU A 19 0.216 -1.548 -3.310 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.030 -2.474 -3.094 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.139 -0.554 -2.139 1.00 0.00 C ATOM 0 H LEU A 19 2.235 -1.679 -5.536 1.00 0.00 H new ATOM 0 HA LEU A 19 2.665 -0.500 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.511 -3.125 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.675 -2.860 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 19 0.202 -1.053 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.937 -1.870 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.080 -3.210 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.941 -2.987 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.810 -0.020 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.213 -1.096 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.960 0.159 -2.213 1.00 0.00 H new ATOM 306 N LYS A 20 4.673 -3.041 -3.525 1.00 0.00 N ATOM 307 CA LYS A 20 5.926 -3.746 -3.111 1.00 0.00 C ATOM 308 C LYS A 20 7.193 -2.845 -2.886 1.00 0.00 C ATOM 309 O LYS A 20 7.965 -3.128 -1.970 1.00 0.00 O ATOM 310 CB LYS A 20 6.235 -4.857 -4.174 1.00 0.00 C ATOM 311 CG LYS A 20 5.340 -6.163 -4.149 1.00 0.00 C ATOM 312 CD LYS A 20 5.318 -6.948 -2.815 1.00 0.00 C ATOM 313 CE LYS A 20 4.800 -8.334 -3.045 1.00 0.00 C ATOM 314 NZ LYS A 20 4.772 -9.027 -1.759 1.00 0.00 N ATOM 0 H LYS A 20 4.278 -3.445 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 20 5.723 -4.156 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.148 -4.409 -5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.275 -5.160 -4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.317 -5.883 -4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.688 -6.833 -4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.322 -6.992 -2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.689 -6.431 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.801 -8.300 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.438 -8.867 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.049 -9.774 -1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.703 -9.452 -1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.544 -8.349 -1.004 1.00 0.00 H new ATOM 328 N ARG A 21 7.268 -1.730 -3.597 1.00 0.00 N ATOM 329 CA ARG A 21 8.307 -0.705 -3.749 1.00 0.00 C ATOM 330 C ARG A 21 8.094 0.565 -2.935 1.00 0.00 C ATOM 331 O ARG A 21 9.010 1.372 -2.727 1.00 0.00 O ATOM 332 CB ARG A 21 8.550 -0.520 -5.350 1.00 0.00 C ATOM 333 CG ARG A 21 8.999 -1.894 -6.008 1.00 0.00 C ATOM 334 CD ARG A 21 9.214 -1.833 -7.612 1.00 0.00 C ATOM 335 NE ARG A 21 9.821 -3.084 -8.158 1.00 0.00 N ATOM 336 CZ ARG A 21 9.333 -4.257 -8.489 1.00 0.00 C ATOM 337 NH1 ARG A 21 8.109 -4.520 -8.511 1.00 0.00 N ATOM 338 NH2 ARG A 21 10.136 -5.174 -8.960 1.00 0.00 N ATOM 0 H ARG A 21 6.469 -1.479 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 21 9.238 -1.036 -3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.635 -0.165 -5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.313 0.239 -5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.929 -2.218 -5.542 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.249 -2.652 -5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.254 -1.658 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.854 -0.986 -7.857 1.00 0.00 H new ATOM 0 HE ARG A 21 10.828 -3.012 -8.305 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.429 -3.802 -8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.792 -5.452 -8.777 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.131 -4.975 -9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.768 -6.089 -9.220 1.00 0.00 H new ATOM 352 N GLU A 22 6.883 0.691 -2.266 1.00 0.00 N ATOM 353 CA GLU A 22 6.634 1.600 -1.112 1.00 0.00 C ATOM 354 C GLU A 22 6.906 0.818 0.196 1.00 0.00 C ATOM 355 O GLU A 22 7.524 1.380 1.107 1.00 0.00 O ATOM 356 CB GLU A 22 5.174 2.246 -1.113 1.00 0.00 C ATOM 357 CG GLU A 22 4.895 3.348 -2.161 1.00 0.00 C ATOM 358 CD GLU A 22 5.702 4.583 -1.940 1.00 0.00 C ATOM 359 OE1 GLU A 22 6.299 4.812 -0.883 1.00 0.00 O ATOM 360 OE2 GLU A 22 5.691 5.432 -2.888 1.00 0.00 O ATOM 0 H GLU A 22 6.058 0.152 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 22 7.315 2.447 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.449 1.445 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.988 2.664 -0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.106 2.957 -3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.836 3.604 -2.137 1.00 0.00 H new ATOM 367 N PHE A 23 6.471 -0.454 0.316 1.00 0.00 N ATOM 368 CA PHE A 23 6.583 -1.346 1.513 1.00 0.00 C ATOM 369 C PHE A 23 8.033 -1.668 1.844 1.00 0.00 C ATOM 370 O PHE A 23 8.421 -1.541 3.019 1.00 0.00 O ATOM 371 CB PHE A 23 5.752 -2.583 1.303 1.00 0.00 C ATOM 372 CG PHE A 23 5.679 -3.425 2.551 1.00 0.00 C ATOM 373 CD1 PHE A 23 6.710 -4.357 2.864 1.00 0.00 C ATOM 374 CD2 PHE A 23 4.748 -3.202 3.551 1.00 0.00 C ATOM 375 CE1 PHE A 23 6.799 -5.084 4.065 1.00 0.00 C ATOM 376 CE2 PHE A 23 4.808 -3.855 4.797 1.00 0.00 C ATOM 377 CZ PHE A 23 5.807 -4.833 5.022 1.00 0.00 C ATOM 0 H PHE A 23 6.003 -0.923 -0.460 1.00 0.00 H new ATOM 0 HA PHE A 23 6.190 -0.819 2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.745 -2.297 0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.176 -3.173 0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.480 -4.517 2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.946 -2.502 3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.590 -5.798 4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.098 -3.612 5.574 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.804 -5.394 5.945 1.00 0.00 H new ATOM 387 N ASN A 24 8.900 -1.909 0.822 1.00 0.00 N ATOM 388 CA ASN A 24 10.329 -2.159 0.983 1.00 0.00 C ATOM 389 C ASN A 24 11.164 -1.018 1.477 1.00 0.00 C ATOM 390 O ASN A 24 12.161 -1.188 2.150 1.00 0.00 O ATOM 391 CB ASN A 24 11.104 -2.734 -0.227 1.00 0.00 C ATOM 392 CG ASN A 24 11.211 -1.894 -1.476 1.00 0.00 C ATOM 393 OD1 ASN A 24 10.659 -0.831 -1.635 1.00 0.00 O ATOM 394 ND2 ASN A 24 11.810 -2.477 -2.485 1.00 0.00 N ATOM 0 H ASN A 24 8.601 -1.932 -0.153 1.00 0.00 H new ATOM 0 HA ASN A 24 10.221 -2.925 1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.116 -2.964 0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 24 10.636 -3.679 -0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.810 -2.033 -3.404 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.276 -3.374 -2.352 1.00 0.00 H new ATOM 401 N GLU A 25 10.549 0.218 1.439 1.00 0.00 N ATOM 402 CA GLU A 25 11.150 1.384 2.026 1.00 0.00 C ATOM 403 C GLU A 25 10.510 1.704 3.377 1.00 0.00 C ATOM 404 O GLU A 25 11.218 1.752 4.328 1.00 0.00 O ATOM 405 CB GLU A 25 11.106 2.485 0.991 1.00 0.00 C ATOM 406 CG GLU A 25 11.795 3.871 1.468 1.00 0.00 C ATOM 407 CD GLU A 25 13.294 3.671 1.937 1.00 0.00 C ATOM 408 OE1 GLU A 25 13.945 2.806 1.328 1.00 0.00 O ATOM 409 OE2 GLU A 25 13.768 4.303 2.903 1.00 0.00 O ATOM 0 H GLU A 25 9.644 0.388 1.001 1.00 0.00 H new ATOM 0 HA GLU A 25 12.199 1.231 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.604 2.138 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.066 2.680 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.767 4.589 0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.215 4.299 2.286 1.00 0.00 H new ATOM 416 N ASN A 26 9.208 1.612 3.570 1.00 0.00 N ATOM 417 CA ASN A 26 8.618 1.950 4.879 1.00 0.00 C ATOM 418 C ASN A 26 7.387 1.000 5.124 1.00 0.00 C ATOM 419 O ASN A 26 6.489 0.974 4.265 1.00 0.00 O ATOM 420 CB ASN A 26 8.241 3.378 4.853 1.00 0.00 C ATOM 421 CG ASN A 26 9.450 4.348 5.240 1.00 0.00 C ATOM 422 OD1 ASN A 26 10.186 4.048 6.206 1.00 0.00 O ATOM 423 ND2 ASN A 26 9.495 5.566 4.750 1.00 0.00 N ATOM 0 H ASN A 26 8.538 1.313 2.861 1.00 0.00 H new ATOM 0 HA ASN A 26 9.318 1.803 5.702 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.880 3.635 3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.414 3.543 5.544 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.126 6.256 5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.899 5.821 3.962 1.00 0.00 H new ATOM 430 N ARG A 27 7.360 0.212 6.204 1.00 0.00 N ATOM 431 CA ARG A 27 6.393 -0.742 6.547 1.00 0.00 C ATOM 432 C ARG A 27 5.114 -0.164 7.190 1.00 0.00 C ATOM 433 O ARG A 27 4.222 -0.902 7.679 1.00 0.00 O ATOM 434 CB ARG A 27 7.106 -1.768 7.430 1.00 0.00 C ATOM 435 CG ARG A 27 8.459 -2.428 6.953 1.00 0.00 C ATOM 436 CD ARG A 27 9.092 -3.478 7.898 1.00 0.00 C ATOM 437 NE ARG A 27 10.491 -3.802 7.458 1.00 0.00 N ATOM 438 CZ ARG A 27 11.331 -4.436 8.283 1.00 0.00 C ATOM 439 NH1 ARG A 27 11.088 -4.814 9.556 1.00 0.00 N ATOM 440 NH2 ARG A 27 12.528 -4.634 7.809 1.00 0.00 N ATOM 0 H ARG A 27 8.102 0.259 6.903 1.00 0.00 H new ATOM 0 HA ARG A 27 5.998 -1.206 5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.302 -1.288 8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.401 -2.578 7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.284 -2.901 5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.187 -1.633 6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.104 -3.097 8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.486 -4.384 7.903 1.00 0.00 H new ATOM 0 HE ARG A 27 10.802 -3.537 6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.182 -4.619 9.982 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.810 -5.295 10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.765 -4.312 6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.229 -5.111 8.376 1.00 0.00 H new ATOM 454 N TYR A 28 5.016 1.157 7.224 1.00 0.00 N ATOM 455 CA TYR A 28 3.885 1.983 7.647 1.00 0.00 C ATOM 456 C TYR A 28 3.590 3.191 6.654 1.00 0.00 C ATOM 457 O TYR A 28 4.443 3.556 5.818 1.00 0.00 O ATOM 458 CB TYR A 28 4.246 2.553 9.052 1.00 0.00 C ATOM 459 CG TYR A 28 4.343 1.409 10.074 1.00 0.00 C ATOM 460 CD1 TYR A 28 3.230 0.816 10.603 1.00 0.00 C ATOM 461 CD2 TYR A 28 5.626 1.066 10.520 1.00 0.00 C ATOM 462 CE1 TYR A 28 3.307 -0.133 11.617 1.00 0.00 C ATOM 463 CE2 TYR A 28 5.742 0.066 11.474 1.00 0.00 C ATOM 464 CZ TYR A 28 4.591 -0.519 12.044 1.00 0.00 C ATOM 465 OH TYR A 28 4.726 -1.557 12.896 1.00 0.00 O ATOM 0 H TYR A 28 5.801 1.737 6.928 1.00 0.00 H new ATOM 0 HA TYR A 28 2.985 1.368 7.660 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.194 3.090 9.003 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.489 3.271 9.368 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.259 1.094 10.221 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.501 1.567 10.132 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.417 -0.557 12.059 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.721 -0.268 11.783 1.00 0.00 H new ATOM 0 HH TYR A 28 5.676 -1.697 13.093 1.00 0.00 H new ATOM 475 N LEU A 29 2.376 3.713 6.763 1.00 0.00 N ATOM 476 CA LEU A 29 1.988 4.970 6.063 1.00 0.00 C ATOM 477 C LEU A 29 1.307 5.970 7.013 1.00 0.00 C ATOM 478 O LEU A 29 0.968 5.652 8.168 1.00 0.00 O ATOM 479 CB LEU A 29 0.851 4.658 4.993 1.00 0.00 C ATOM 480 CG LEU A 29 1.110 3.568 3.895 1.00 0.00 C ATOM 481 CD1 LEU A 29 -0.179 3.205 3.317 1.00 0.00 C ATOM 482 CD2 LEU A 29 1.960 4.062 2.791 1.00 0.00 C ATOM 0 H LEU A 29 1.631 3.300 7.324 1.00 0.00 H new ATOM 0 HA LEU A 29 2.908 5.370 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.044 4.364 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.619 5.591 4.480 1.00 0.00 H new ATOM 0 HG LEU A 29 1.619 2.730 4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.032 2.447 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.829 2.809 4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.640 4.087 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.106 3.266 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.475 4.911 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.927 4.373 3.187 1.00 0.00 H new ATOM 494 N THR A 30 1.005 7.212 6.505 1.00 0.00 N ATOM 495 CA THR A 30 0.259 8.396 6.962 1.00 0.00 C ATOM 496 C THR A 30 -1.028 8.677 6.249 1.00 0.00 C ATOM 497 O THR A 30 -1.355 7.974 5.272 1.00 0.00 O ATOM 498 CB THR A 30 1.165 9.656 6.857 1.00 0.00 C ATOM 499 OG1 THR A 30 1.583 9.818 5.510 1.00 0.00 O ATOM 500 CG2 THR A 30 2.451 9.510 7.647 1.00 0.00 C ATOM 0 H THR A 30 1.366 7.420 5.574 1.00 0.00 H new ATOM 0 HA THR A 30 -0.018 8.163 7.990 1.00 0.00 H new ATOM 0 HB THR A 30 0.575 10.490 7.236 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.153 10.612 5.438 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.048 10.416 7.541 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.216 9.352 8.699 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.015 8.657 7.269 1.00 0.00 H new ATOM 508 N GLU A 31 -1.868 9.657 6.685 1.00 0.00 N ATOM 509 CA GLU A 31 -3.054 10.011 5.914 1.00 0.00 C ATOM 510 C GLU A 31 -2.679 10.424 4.488 1.00 0.00 C ATOM 511 O GLU A 31 -3.115 9.874 3.496 1.00 0.00 O ATOM 512 CB GLU A 31 -3.962 11.012 6.711 1.00 0.00 C ATOM 513 CG GLU A 31 -4.288 10.692 8.188 1.00 0.00 C ATOM 514 CD GLU A 31 -3.141 10.779 9.068 1.00 0.00 C ATOM 515 OE1 GLU A 31 -2.443 11.814 8.962 1.00 0.00 O ATOM 516 OE2 GLU A 31 -2.756 9.903 9.897 1.00 0.00 O ATOM 0 H GLU A 31 -1.737 10.192 7.543 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.686 9.134 5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.483 11.991 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.907 11.103 6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.057 11.380 8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.707 9.688 8.249 1.00 0.00 H new ATOM 523 N ARG A 32 -1.836 11.484 4.403 1.00 0.00 N ATOM 524 CA ARG A 32 -1.376 12.175 3.218 1.00 0.00 C ATOM 525 C ARG A 32 -0.708 11.289 2.106 1.00 0.00 C ATOM 526 O ARG A 32 -0.973 11.542 0.942 1.00 0.00 O ATOM 527 CB ARG A 32 -0.438 13.345 3.510 1.00 0.00 C ATOM 528 CG ARG A 32 0.904 12.963 4.226 1.00 0.00 C ATOM 529 CD ARG A 32 1.465 14.235 4.885 1.00 0.00 C ATOM 530 NE ARG A 32 2.692 13.997 5.761 1.00 0.00 N ATOM 531 CZ ARG A 32 2.732 13.562 7.005 1.00 0.00 C ATOM 532 NH1 ARG A 32 1.735 13.169 7.697 1.00 0.00 N ATOM 533 NH2 ARG A 32 3.872 13.524 7.567 1.00 0.00 N ATOM 0 H ARG A 32 -1.438 11.896 5.247 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.324 12.537 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.201 13.843 2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.968 14.069 4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.731 12.190 4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.618 12.558 3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.723 14.951 4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.683 14.692 5.491 1.00 0.00 H new ATOM 0 HE ARG A 32 3.594 14.200 5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.799 13.174 7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.874 12.850 8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.703 13.822 7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.956 13.195 8.529 1.00 0.00 H new ATOM 547 N ARG A 33 -0.028 10.237 2.511 1.00 0.00 N ATOM 548 CA ARG A 33 0.522 9.186 1.707 1.00 0.00 C ATOM 549 C ARG A 33 -0.526 8.088 1.286 1.00 0.00 C ATOM 550 O ARG A 33 -0.486 7.663 0.118 1.00 0.00 O ATOM 551 CB ARG A 33 1.640 8.557 2.467 1.00 0.00 C ATOM 552 CG ARG A 33 2.703 7.853 1.549 1.00 0.00 C ATOM 553 CD ARG A 33 3.843 8.699 0.974 1.00 0.00 C ATOM 554 NE ARG A 33 4.991 7.806 0.561 1.00 0.00 N ATOM 555 CZ ARG A 33 6.055 8.262 -0.022 1.00 0.00 C ATOM 556 NH1 ARG A 33 6.097 9.513 -0.419 1.00 0.00 N ATOM 557 NH2 ARG A 33 6.932 7.467 -0.499 1.00 0.00 N ATOM 0 H ARG A 33 0.167 10.091 3.502 1.00 0.00 H new ATOM 0 HA ARG A 33 0.869 9.633 0.775 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.137 9.321 3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.230 7.824 3.162 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.149 7.040 2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.171 7.400 0.712 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.487 9.268 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.182 9.421 1.717 1.00 0.00 H new ATOM 0 HE ARG A 33 4.926 6.806 0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.294 10.123 -0.268 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.933 9.875 -0.878 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.800 6.458 -0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.764 7.840 -0.955 1.00 0.00 H new ATOM 571 N ARG A 34 -1.500 7.700 2.148 1.00 0.00 N ATOM 572 CA ARG A 34 -2.604 6.814 1.707 1.00 0.00 C ATOM 573 C ARG A 34 -3.385 7.427 0.490 1.00 0.00 C ATOM 574 O ARG A 34 -3.764 6.683 -0.422 1.00 0.00 O ATOM 575 CB ARG A 34 -3.507 6.456 2.818 1.00 0.00 C ATOM 576 CG ARG A 34 -3.087 5.330 3.722 1.00 0.00 C ATOM 577 CD ARG A 34 -4.072 4.977 4.800 1.00 0.00 C ATOM 578 NE ARG A 34 -4.024 6.021 5.908 1.00 0.00 N ATOM 579 CZ ARG A 34 -3.204 6.133 6.951 1.00 0.00 C ATOM 580 NH1 ARG A 34 -2.169 5.461 7.008 1.00 0.00 N ATOM 581 NH2 ARG A 34 -3.571 6.916 7.927 1.00 0.00 N ATOM 0 H ARG A 34 -1.543 7.979 3.128 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.149 5.885 1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.651 7.344 3.433 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.478 6.201 2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.905 4.444 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.139 5.595 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.077 4.923 4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.842 3.992 5.206 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.733 6.751 5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.938 4.815 6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.545 5.552 7.810 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.459 7.416 7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.971 7.029 8.744 1.00 0.00 H new ATOM 595 N GLN A 35 -3.515 8.809 0.375 1.00 0.00 N ATOM 596 CA GLN A 35 -4.165 9.508 -0.736 1.00 0.00 C ATOM 597 C GLN A 35 -3.389 9.384 -2.049 1.00 0.00 C ATOM 598 O GLN A 35 -4.026 9.128 -3.071 1.00 0.00 O ATOM 599 CB GLN A 35 -4.681 10.937 -0.410 1.00 0.00 C ATOM 600 CG GLN A 35 -3.732 12.060 -0.851 1.00 0.00 C ATOM 601 CD GLN A 35 -3.643 12.348 -2.397 1.00 0.00 C ATOM 602 OE1 GLN A 35 -4.574 12.044 -3.219 1.00 0.00 O ATOM 603 NE2 GLN A 35 -2.650 13.095 -2.843 1.00 0.00 N ATOM 0 H GLN A 35 -3.153 9.448 1.083 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.095 8.965 -0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.648 11.082 -0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.846 11.016 0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.038 12.979 -0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.731 11.820 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.889 13.358 -2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.644 13.409 -3.813 1.00 0.00 H new ATOM 612 N GLN A 36 -2.052 9.405 -2.109 1.00 0.00 N ATOM 613 CA GLN A 36 -1.331 9.195 -3.355 1.00 0.00 C ATOM 614 C GLN A 36 -1.579 7.759 -3.921 1.00 0.00 C ATOM 615 O GLN A 36 -1.919 7.548 -5.068 1.00 0.00 O ATOM 616 CB GLN A 36 0.211 9.340 -3.231 1.00 0.00 C ATOM 617 CG GLN A 36 1.008 9.270 -4.566 1.00 0.00 C ATOM 618 CD GLN A 36 1.369 7.828 -5.032 1.00 0.00 C ATOM 619 OE1 GLN A 36 1.547 6.904 -4.203 1.00 0.00 O ATOM 620 NE2 GLN A 36 1.510 7.598 -6.304 1.00 0.00 N ATOM 0 H GLN A 36 -1.451 9.567 -1.301 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.718 9.974 -4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.430 10.293 -2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.579 8.556 -2.569 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.424 9.755 -5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.929 9.843 -4.454 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.365 8.350 -6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.766 6.665 -6.628 1.00 0.00 H new ATOM 629 N LEU A 37 -1.408 6.797 -3.087 1.00 0.00 N ATOM 630 CA LEU A 37 -1.691 5.400 -3.503 1.00 0.00 C ATOM 631 C LEU A 37 -3.159 5.124 -3.887 1.00 0.00 C ATOM 632 O LEU A 37 -3.360 4.592 -4.919 1.00 0.00 O ATOM 633 CB LEU A 37 -1.171 4.323 -2.466 1.00 0.00 C ATOM 634 CG LEU A 37 0.301 4.224 -2.158 1.00 0.00 C ATOM 635 CD1 LEU A 37 0.587 3.310 -0.953 1.00 0.00 C ATOM 636 CD2 LEU A 37 1.132 3.600 -3.355 1.00 0.00 C ATOM 0 H LEU A 37 -1.083 6.908 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.113 5.291 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.688 4.504 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.494 3.345 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 37 0.599 5.254 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.661 3.272 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.084 3.704 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.219 2.306 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.186 3.552 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.766 2.595 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.017 4.223 -4.242 1.00 0.00 H new ATOM 648 N SER A 38 -4.123 5.631 -3.179 1.00 0.00 N ATOM 649 CA SER A 38 -5.548 5.633 -3.552 1.00 0.00 C ATOM 650 C SER A 38 -5.850 6.218 -4.938 1.00 0.00 C ATOM 651 O SER A 38 -6.809 5.754 -5.598 1.00 0.00 O ATOM 652 CB SER A 38 -6.306 6.231 -2.415 1.00 0.00 C ATOM 653 OG SER A 38 -7.640 6.429 -2.698 1.00 0.00 O ATOM 0 H SER A 38 -3.953 6.081 -2.280 1.00 0.00 H new ATOM 0 HA SER A 38 -5.892 4.609 -3.699 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.218 5.580 -1.545 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.853 7.185 -2.146 1.00 0.00 H new ATOM 0 HG SER A 38 -8.049 5.577 -2.958 1.00 0.00 H new ATOM 659 N SER A 39 -5.100 7.260 -5.295 1.00 0.00 N ATOM 660 CA SER A 39 -5.282 7.943 -6.568 1.00 0.00 C ATOM 661 C SER A 39 -4.603 7.109 -7.580 1.00 0.00 C ATOM 662 O SER A 39 -5.217 6.599 -8.545 1.00 0.00 O ATOM 663 CB SER A 39 -4.512 9.268 -6.533 1.00 0.00 C ATOM 664 OG SER A 39 -5.061 10.133 -5.587 1.00 0.00 O ATOM 0 H SER A 39 -4.357 7.649 -4.714 1.00 0.00 H new ATOM 0 HA SER A 39 -6.340 8.108 -6.774 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.465 9.080 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.537 9.735 -7.518 1.00 0.00 H new ATOM 0 HG SER A 39 -4.765 9.868 -4.691 1.00 0.00 H new ATOM 670 N GLU A 40 -3.305 6.819 -7.427 1.00 0.00 N ATOM 671 CA GLU A 40 -2.449 6.405 -8.585 1.00 0.00 C ATOM 672 C GLU A 40 -2.719 4.936 -9.006 1.00 0.00 C ATOM 673 O GLU A 40 -2.577 4.560 -10.188 1.00 0.00 O ATOM 674 CB GLU A 40 -0.954 6.706 -8.227 1.00 0.00 C ATOM 675 CG GLU A 40 0.134 6.548 -9.320 1.00 0.00 C ATOM 676 CD GLU A 40 -0.124 7.530 -10.532 1.00 0.00 C ATOM 677 OE1 GLU A 40 -0.783 8.584 -10.475 1.00 0.00 O ATOM 678 OE2 GLU A 40 0.459 7.235 -11.589 1.00 0.00 O ATOM 0 H GLU A 40 -2.815 6.857 -6.533 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.703 6.986 -9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.905 7.732 -7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.679 6.058 -7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.116 6.747 -8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.146 5.519 -9.679 1.00 0.00 H new ATOM 685 N LEU A 41 -3.277 4.074 -8.095 1.00 0.00 N ATOM 686 CA LEU A 41 -3.662 2.687 -8.510 1.00 0.00 C ATOM 687 C LEU A 41 -5.191 2.478 -8.524 1.00 0.00 C ATOM 688 O LEU A 41 -5.604 1.368 -8.943 1.00 0.00 O ATOM 689 CB LEU A 41 -2.944 1.738 -7.547 1.00 0.00 C ATOM 690 CG LEU A 41 -1.501 2.045 -7.214 1.00 0.00 C ATOM 691 CD1 LEU A 41 -0.988 1.005 -6.177 1.00 0.00 C ATOM 692 CD2 LEU A 41 -0.469 2.101 -8.413 1.00 0.00 C ATOM 0 H LEU A 41 -3.462 4.301 -7.118 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.358 2.491 -9.538 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.507 1.715 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.986 0.734 -7.970 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.535 3.066 -6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.052 1.219 -5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.594 1.063 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.062 0.003 -6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.524 2.330 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.448 1.136 -8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.772 2.875 -9.118 1.00 0.00 H new ATOM 704 N GLY A 42 -6.017 3.465 -8.112 1.00 0.00 N ATOM 705 CA GLY A 42 -7.478 3.301 -8.248 1.00 0.00 C ATOM 706 C GLY A 42 -8.123 2.465 -7.154 1.00 0.00 C ATOM 707 O GLY A 42 -8.946 1.583 -7.448 1.00 0.00 O ATOM 0 H GLY A 42 -5.713 4.347 -7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.942 4.287 -8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.691 2.841 -9.213 1.00 0.00 H new ATOM 711 N LEU A 43 -7.679 2.587 -5.865 1.00 0.00 N ATOM 712 CA LEU A 43 -8.113 1.844 -4.693 1.00 0.00 C ATOM 713 C LEU A 43 -8.663 2.700 -3.553 1.00 0.00 C ATOM 714 O LEU A 43 -8.293 3.846 -3.339 1.00 0.00 O ATOM 715 CB LEU A 43 -6.992 0.881 -4.161 1.00 0.00 C ATOM 716 CG LEU A 43 -6.306 -0.092 -5.064 1.00 0.00 C ATOM 717 CD1 LEU A 43 -5.507 -1.068 -4.134 1.00 0.00 C ATOM 718 CD2 LEU A 43 -7.328 -1.028 -5.721 1.00 0.00 C ATOM 0 H LEU A 43 -6.955 3.265 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.955 1.253 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.216 1.509 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.430 0.303 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.720 0.462 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.983 -1.804 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.783 -0.501 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.198 -1.578 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.811 -1.730 -6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.865 -1.580 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.036 -0.441 -6.306 1.00 0.00 H new ATOM 730 N ASN A 44 -9.620 2.240 -2.693 1.00 0.00 N ATOM 731 CA ASN A 44 -10.002 3.102 -1.577 1.00 0.00 C ATOM 732 C ASN A 44 -8.961 3.020 -0.419 1.00 0.00 C ATOM 733 O ASN A 44 -8.038 2.178 -0.301 1.00 0.00 O ATOM 734 CB ASN A 44 -11.439 2.913 -1.070 1.00 0.00 C ATOM 735 CG ASN A 44 -11.743 1.717 -0.161 1.00 0.00 C ATOM 736 OD1 ASN A 44 -10.916 1.184 0.561 1.00 0.00 O ATOM 737 ND2 ASN A 44 -12.945 1.146 -0.315 1.00 0.00 N ATOM 0 H ASN A 44 -10.100 1.342 -2.755 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.993 4.113 -1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.723 3.818 -0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -12.091 2.842 -1.941 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -13.161 0.274 0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -13.644 1.583 -0.916 1.00 0.00 H new ATOM 744 N GLU A 45 -9.063 3.993 0.440 1.00 0.00 N ATOM 745 CA GLU A 45 -8.099 4.267 1.488 1.00 0.00 C ATOM 746 C GLU A 45 -8.140 3.142 2.525 1.00 0.00 C ATOM 747 O GLU A 45 -7.076 2.711 2.989 1.00 0.00 O ATOM 748 CB GLU A 45 -8.436 5.650 2.213 1.00 0.00 C ATOM 749 CG GLU A 45 -8.624 6.890 1.358 1.00 0.00 C ATOM 750 CD GLU A 45 -10.069 7.088 0.967 1.00 0.00 C ATOM 751 OE1 GLU A 45 -10.816 6.099 0.830 1.00 0.00 O ATOM 752 OE2 GLU A 45 -10.533 8.248 0.961 1.00 0.00 O ATOM 0 H GLU A 45 -9.846 4.647 0.437 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.108 4.331 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.347 5.506 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.635 5.856 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.272 7.765 1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.012 6.808 0.460 1.00 0.00 H new ATOM 759 N ALA A 46 -9.284 2.519 2.842 1.00 0.00 N ATOM 760 CA ALA A 46 -9.404 1.364 3.713 1.00 0.00 C ATOM 761 C ALA A 46 -8.684 0.096 3.167 1.00 0.00 C ATOM 762 O ALA A 46 -8.184 -0.683 3.969 1.00 0.00 O ATOM 763 CB ALA A 46 -10.908 1.089 3.880 1.00 0.00 C ATOM 0 H ALA A 46 -10.185 2.828 2.477 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.916 1.587 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.050 0.225 4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.390 1.960 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.351 0.886 2.905 1.00 0.00 H new ATOM 769 N GLN A 47 -8.563 -0.112 1.820 1.00 0.00 N ATOM 770 CA GLN A 47 -7.914 -1.366 1.316 1.00 0.00 C ATOM 771 C GLN A 47 -6.404 -1.297 1.448 1.00 0.00 C ATOM 772 O GLN A 47 -5.764 -2.266 1.879 1.00 0.00 O ATOM 773 CB GLN A 47 -8.211 -1.555 -0.174 1.00 0.00 C ATOM 774 CG GLN A 47 -9.681 -1.960 -0.444 1.00 0.00 C ATOM 775 CD GLN A 47 -9.815 -2.760 -1.753 1.00 0.00 C ATOM 776 OE1 GLN A 47 -9.352 -2.386 -2.822 1.00 0.00 O ATOM 777 NE2 GLN A 47 -10.374 -3.931 -1.791 1.00 0.00 N ATOM 0 H GLN A 47 -8.886 0.532 1.098 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.313 -2.187 1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.990 -0.629 -0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.548 -2.320 -0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.054 -2.557 0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.302 -1.066 -0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.788 -4.326 -0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.399 -4.456 -2.665 1.00 0.00 H new ATOM 786 N ILE A 48 -5.792 -0.119 1.073 1.00 0.00 N ATOM 787 CA ILE A 48 -4.355 0.287 1.348 1.00 0.00 C ATOM 788 C ILE A 48 -4.109 0.178 2.847 1.00 0.00 C ATOM 789 O ILE A 48 -3.152 -0.465 3.212 1.00 0.00 O ATOM 790 CB ILE A 48 -4.094 1.619 0.723 1.00 0.00 C ATOM 791 CG1 ILE A 48 -4.294 1.639 -0.851 1.00 0.00 C ATOM 792 CG2 ILE A 48 -2.683 2.096 0.990 1.00 0.00 C ATOM 793 CD1 ILE A 48 -4.853 2.935 -1.525 1.00 0.00 C ATOM 0 H ILE A 48 -6.298 0.599 0.555 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.623 -0.376 0.886 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.830 2.276 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.329 1.419 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.964 0.818 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.532 3.068 0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.526 2.185 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.973 1.379 0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.928 2.782 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.840 3.159 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.181 3.769 -1.323 1.00 0.00 H new ATOM 805 N LYS A 49 -4.990 0.690 3.754 1.00 0.00 N ATOM 806 CA LYS A 49 -4.809 0.651 5.290 1.00 0.00 C ATOM 807 C LYS A 49 -4.572 -0.770 5.827 1.00 0.00 C ATOM 808 O LYS A 49 -3.722 -0.999 6.692 1.00 0.00 O ATOM 809 CB LYS A 49 -6.056 1.370 5.873 1.00 0.00 C ATOM 810 CG LYS A 49 -5.558 1.969 7.182 1.00 0.00 C ATOM 811 CD LYS A 49 -6.659 2.822 7.779 1.00 0.00 C ATOM 812 CE LYS A 49 -6.234 3.621 8.993 1.00 0.00 C ATOM 813 NZ LYS A 49 -7.375 4.555 9.288 1.00 0.00 N ATOM 0 H LYS A 49 -5.856 1.148 3.470 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.903 1.167 5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.425 2.141 5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.877 0.673 6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.276 1.177 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.667 2.572 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.026 3.509 7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.493 2.178 8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.035 2.967 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.316 4.175 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.142 5.136 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.539 5.173 8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.235 4.003 9.482 1.00 0.00 H new ATOM 827 N ILE A 50 -5.265 -1.733 5.246 1.00 0.00 N ATOM 828 CA ILE A 50 -5.326 -3.163 5.496 1.00 0.00 C ATOM 829 C ILE A 50 -4.298 -3.947 4.674 1.00 0.00 C ATOM 830 O ILE A 50 -3.703 -4.858 5.222 1.00 0.00 O ATOM 831 CB ILE A 50 -6.749 -3.781 5.339 1.00 0.00 C ATOM 832 CG1 ILE A 50 -7.635 -3.031 6.385 1.00 0.00 C ATOM 833 CG2 ILE A 50 -6.808 -5.356 5.450 1.00 0.00 C ATOM 834 CD1 ILE A 50 -9.107 -3.092 6.131 1.00 0.00 C ATOM 0 H ILE A 50 -5.889 -1.493 4.475 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.066 -3.262 6.550 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.121 -3.636 4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.435 -3.447 7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.330 -1.985 6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.838 -5.691 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.187 -5.799 4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.439 -5.666 6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.634 -2.542 6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.328 -2.647 5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.434 -4.132 6.136 1.00 0.00 H new ATOM 846 N TRP A 51 -3.969 -3.609 3.452 1.00 0.00 N ATOM 847 CA TRP A 51 -2.927 -4.290 2.688 1.00 0.00 C ATOM 848 C TRP A 51 -1.557 -4.317 3.393 1.00 0.00 C ATOM 849 O TRP A 51 -0.999 -5.325 3.692 1.00 0.00 O ATOM 850 CB TRP A 51 -2.795 -3.723 1.253 1.00 0.00 C ATOM 851 CG TRP A 51 -1.874 -4.476 0.332 1.00 0.00 C ATOM 852 CD1 TRP A 51 -2.092 -5.657 -0.258 1.00 0.00 C ATOM 853 CD2 TRP A 51 -0.414 -4.328 0.290 1.00 0.00 C ATOM 854 NE1 TRP A 51 -0.898 -6.212 -0.739 1.00 0.00 N ATOM 855 CE2 TRP A 51 0.217 -5.447 -0.389 1.00 0.00 C ATOM 856 CE3 TRP A 51 0.509 -3.380 0.801 1.00 0.00 C ATOM 857 CZ2 TRP A 51 1.597 -5.567 -0.686 1.00 0.00 C ATOM 858 CZ3 TRP A 51 1.892 -3.471 0.450 1.00 0.00 C ATOM 859 CH2 TRP A 51 2.431 -4.550 -0.286 1.00 0.00 C ATOM 0 H TRP A 51 -4.416 -2.846 2.945 1.00 0.00 H new ATOM 0 HA TRP A 51 -3.259 -5.326 2.619 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -3.787 -3.695 0.801 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -2.447 -2.692 1.321 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.062 -6.122 -0.352 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -0.849 -7.074 -1.282 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.168 -2.591 1.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.981 -6.430 -1.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 2.556 -2.678 0.762 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.483 -4.575 -0.531 1.00 0.00 H new ATOM 870 N PHE A 52 -1.072 -3.089 3.702 1.00 0.00 N ATOM 871 CA PHE A 52 0.125 -2.713 4.543 1.00 0.00 C ATOM 872 C PHE A 52 0.075 -3.346 5.970 1.00 0.00 C ATOM 873 O PHE A 52 1.106 -3.610 6.520 1.00 0.00 O ATOM 874 CB PHE A 52 0.157 -1.216 4.641 1.00 0.00 C ATOM 875 CG PHE A 52 1.076 -0.645 3.671 1.00 0.00 C ATOM 876 CD1 PHE A 52 2.428 -0.400 3.982 1.00 0.00 C ATOM 877 CD2 PHE A 52 0.576 -0.217 2.462 1.00 0.00 C ATOM 878 CE1 PHE A 52 3.264 0.120 2.990 1.00 0.00 C ATOM 879 CE2 PHE A 52 1.408 0.284 1.478 1.00 0.00 C ATOM 880 CZ PHE A 52 2.790 0.369 1.697 1.00 0.00 C ATOM 0 H PHE A 52 -1.538 -2.254 3.346 1.00 0.00 H new ATOM 0 HA PHE A 52 1.027 -3.099 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.844 -0.817 4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.456 -0.921 5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.812 -0.610 4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.487 -0.274 2.279 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.296 0.334 3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.992 0.611 0.537 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.467 0.619 0.894 1.00 0.00 H new ATOM 890 N GLN A 53 -1.135 -3.619 6.534 1.00 0.00 N ATOM 891 CA GLN A 53 -1.278 -4.352 7.825 1.00 0.00 C ATOM 892 C GLN A 53 -0.873 -5.786 7.732 1.00 0.00 C ATOM 893 O GLN A 53 -0.083 -6.323 8.513 1.00 0.00 O ATOM 894 CB GLN A 53 -2.647 -4.089 8.455 1.00 0.00 C ATOM 895 CG GLN A 53 -2.797 -3.088 9.609 1.00 0.00 C ATOM 896 CD GLN A 53 -4.303 -2.639 9.626 1.00 0.00 C ATOM 897 OE1 GLN A 53 -5.208 -3.190 9.000 1.00 0.00 O ATOM 898 NE2 GLN A 53 -4.693 -1.613 10.396 1.00 0.00 N ATOM 0 H GLN A 53 -2.023 -3.343 6.116 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.555 -3.945 8.532 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.310 -3.759 7.656 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.027 -5.047 8.810 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.520 -3.547 10.558 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.139 -2.231 9.465 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.006 -1.100 10.949 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.677 -1.345 10.429 1.00 0.00 H new ATOM 907 N ASN A 54 -1.553 -6.497 6.766 1.00 0.00 N ATOM 908 CA ASN A 54 -1.319 -7.925 6.534 1.00 0.00 C ATOM 909 C ASN A 54 0.016 -8.150 5.872 1.00 0.00 C ATOM 910 O ASN A 54 0.542 -9.292 5.922 1.00 0.00 O ATOM 911 CB ASN A 54 -2.546 -8.408 5.728 1.00 0.00 C ATOM 912 CG ASN A 54 -2.419 -9.940 5.537 1.00 0.00 C ATOM 913 OD1 ASN A 54 -2.322 -10.432 4.392 1.00 0.00 O ATOM 914 ND2 ASN A 54 -2.455 -10.700 6.575 1.00 0.00 N ATOM 0 H ASN A 54 -2.257 -6.086 6.153 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.242 -8.510 7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.468 -8.165 6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.589 -7.906 4.762 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.404 -11.713 6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.534 -10.289 7.505 1.00 0.00 H new ATOM 921 N GLU A 55 0.642 -7.217 5.146 1.00 0.00 N ATOM 922 CA GLU A 55 1.993 -7.423 4.565 1.00 0.00 C ATOM 923 C GLU A 55 3.129 -7.572 5.661 1.00 0.00 C ATOM 924 O GLU A 55 3.923 -8.493 5.594 1.00 0.00 O ATOM 925 CB GLU A 55 2.216 -6.398 3.503 1.00 0.00 C ATOM 926 CG GLU A 55 3.479 -6.701 2.604 1.00 0.00 C ATOM 927 CD GLU A 55 3.233 -7.640 1.435 1.00 0.00 C ATOM 928 OE1 GLU A 55 4.269 -8.157 0.872 1.00 0.00 O ATOM 929 OE2 GLU A 55 2.098 -7.977 1.046 1.00 0.00 O ATOM 0 H GLU A 55 0.239 -6.303 4.940 1.00 0.00 H new ATOM 0 HA GLU A 55 2.051 -8.394 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.331 -6.342 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.336 -5.420 3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.863 -5.758 2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.259 -7.128 3.234 1.00 0.00 H new ATOM 936 N ARG A 56 2.975 -6.824 6.788 1.00 0.00 N ATOM 937 CA ARG A 56 3.818 -7.094 8.046 1.00 0.00 C ATOM 938 C ARG A 56 3.582 -8.574 8.481 1.00 0.00 C ATOM 939 O ARG A 56 4.505 -9.145 8.994 1.00 0.00 O ATOM 940 CB ARG A 56 3.405 -6.081 9.134 1.00 0.00 C ATOM 941 CG ARG A 56 4.017 -4.618 9.042 1.00 0.00 C ATOM 942 CD ARG A 56 3.866 -3.894 10.426 1.00 0.00 C ATOM 943 NE ARG A 56 4.606 -4.617 11.529 1.00 0.00 N ATOM 944 CZ ARG A 56 4.134 -4.916 12.718 1.00 0.00 C ATOM 945 NH1 ARG A 56 2.853 -4.744 13.136 1.00 0.00 N ATOM 946 NH2 ARG A 56 4.840 -5.525 13.588 1.00 0.00 N ATOM 0 H ARG A 56 2.311 -6.055 6.879 1.00 0.00 H new ATOM 0 HA ARG A 56 4.885 -6.966 7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.319 -5.993 9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.676 -6.499 10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.069 -4.670 8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.507 -4.048 8.265 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.243 -2.875 10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.809 -3.823 10.684 1.00 0.00 H new ATOM 0 HE ARG A 56 5.566 -4.900 11.330 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.158 -4.349 12.502 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.586 -5.010 14.084 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.799 -5.794 13.369 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.445 -5.743 14.503 1.00 0.00 H new