USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 479 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 58 ASN : amide:sc= 0.799 K(o=0.64,f=-0.15) USER MOD Set 1.2: A 60 TYR OH : rot 30:sc= -0.155 USER MOD Set 2.1: A 24 HIS : no HD1:sc= -1.16 K(o=-1.3,f=-7.6!) USER MOD Set 2.2: A 43 TYR OH : rot 6:sc= -0.156 USER MOD Set 3.1: A 30 CYS SG : rot 172:sc= 1.61 USER MOD Set 3.2: A 33 CYS SG : rot 126:sc= 0.834 USER MOD Set 3.3: A 35 GLN : amide:sc= -5.08! C(o=-2.8!,f=-7.8!) USER MOD Set 3.4: A 63 CYS SG : rot -98:sc= -0.955 USER MOD Set 3.5: A 65 LYS NZ :NH3+ 145:sc= 0.833 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= 0.789 (180deg=0.673) USER MOD Single : A 14 GLN : amide:sc= -0.608 K(o=-0.61,f=0) USER MOD Single : A 16 CYS SG : rot 58:sc= 0.847 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 148:sc= -0.143 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 30:sc= -0.426 USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= 0.87 (180deg=0.807) USER MOD Single : A 36 GLN : amide:sc= -1.02 X(o=-1,f=-1.3) USER MOD Single : A 51 CYS SG : rot 180:sc= 0.0423 USER MOD Single : A 54 TYR OH : rot 52:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 156 N PRO A 9 63.422 3.420 -6.976 1.00 0.00 N ATOM 157 CA PRO A 9 64.697 4.052 -7.339 1.00 0.00 C ATOM 158 C PRO A 9 65.841 3.108 -7.040 1.00 0.00 C ATOM 159 O PRO A 9 65.645 1.919 -6.880 1.00 0.00 O ATOM 160 CB PRO A 9 64.809 5.234 -6.380 1.00 0.00 C ATOM 161 CG PRO A 9 63.915 4.922 -5.256 1.00 0.00 C ATOM 162 CD PRO A 9 62.885 3.949 -5.708 1.00 0.00 C ATOM 0 HA PRO A 9 64.735 4.327 -8.393 1.00 0.00 H new ATOM 0 HB2 PRO A 9 65.836 5.365 -6.039 1.00 0.00 H new ATOM 0 HB3 PRO A 9 64.514 6.163 -6.868 1.00 0.00 H new ATOM 0 HG2 PRO A 9 64.486 4.506 -4.426 1.00 0.00 H new ATOM 0 HG3 PRO A 9 63.438 5.832 -4.891 1.00 0.00 H new ATOM 0 HD2 PRO A 9 62.738 3.155 -4.976 1.00 0.00 H new ATOM 0 HD3 PRO A 9 61.918 4.431 -5.855 1.00 0.00 H new ATOM 170 N ARG A 10 67.019 3.620 -6.964 1.00 0.00 N ATOM 171 CA ARG A 10 68.105 2.828 -6.533 1.00 0.00 C ATOM 172 C ARG A 10 68.905 3.622 -5.533 1.00 0.00 C ATOM 173 O ARG A 10 69.969 3.210 -5.072 1.00 0.00 O ATOM 174 CB ARG A 10 68.918 2.399 -7.710 1.00 0.00 C ATOM 175 CG ARG A 10 69.830 1.260 -7.394 1.00 0.00 C ATOM 176 CD ARG A 10 70.225 0.592 -8.640 1.00 0.00 C ATOM 177 NE ARG A 10 71.097 -0.553 -8.404 1.00 0.00 N ATOM 178 CZ ARG A 10 72.127 -0.898 -9.184 1.00 0.00 C ATOM 179 NH1 ARG A 10 72.437 -0.169 -10.259 1.00 0.00 N ATOM 180 NH2 ARG A 10 72.826 -1.985 -8.898 1.00 0.00 N ATOM 0 H ARG A 10 67.251 4.586 -7.196 1.00 0.00 H new ATOM 0 HA ARG A 10 67.757 1.918 -6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 10 68.251 2.111 -8.522 1.00 0.00 H new ATOM 0 HB3 ARG A 10 69.508 3.243 -8.067 1.00 0.00 H new ATOM 0 HG2 ARG A 10 70.713 1.622 -6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 10 69.331 0.553 -6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 10 69.332 0.262 -9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 10 70.735 1.306 -9.286 1.00 0.00 H new ATOM 0 HE ARG A 10 70.908 -1.132 -7.586 1.00 0.00 H new ATOM 0 HH11 ARG A 10 71.887 0.658 -10.490 1.00 0.00 H new ATOM 0 HH12 ARG A 10 73.224 -0.439 -10.849 1.00 0.00 H new ATOM 0 HH21 ARG A 10 72.578 -2.553 -8.088 1.00 0.00 H new ATOM 0 HH22 ARG A 10 73.613 -2.255 -9.488 1.00 0.00 H new ATOM 194 N LYS A 11 68.364 4.771 -5.177 1.00 0.00 N ATOM 195 CA LYS A 11 68.976 5.614 -4.209 1.00 0.00 C ATOM 196 C LYS A 11 68.087 5.673 -3.010 1.00 0.00 C ATOM 197 O LYS A 11 66.860 5.813 -3.144 1.00 0.00 O ATOM 198 CB LYS A 11 69.153 7.011 -4.748 1.00 0.00 C ATOM 199 CG LYS A 11 69.973 7.103 -6.024 1.00 0.00 C ATOM 200 CD LYS A 11 71.454 6.949 -5.739 1.00 0.00 C ATOM 201 CE LYS A 11 72.284 7.136 -6.993 1.00 0.00 C ATOM 202 NZ LYS A 11 73.736 7.005 -6.738 1.00 0.00 N ATOM 0 H LYS A 11 67.490 5.132 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 11 69.956 5.211 -3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 11 68.169 7.441 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 11 69.629 7.623 -3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 11 69.652 6.329 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 11 69.791 8.063 -6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.759 7.678 -4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 11 71.644 5.961 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 11 71.982 6.400 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 11 72.080 8.120 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 74.266 7.385 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 73.987 7.536 -5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 73.976 6.002 -6.607 1.00 0.00 H new ATOM 216 N LEU A 12 68.694 5.611 -1.871 1.00 0.00 N ATOM 217 CA LEU A 12 68.024 5.633 -0.596 1.00 0.00 C ATOM 218 C LEU A 12 67.089 6.861 -0.380 1.00 0.00 C ATOM 219 O LEU A 12 65.911 6.673 -0.061 1.00 0.00 O ATOM 220 CB LEU A 12 69.048 5.512 0.531 1.00 0.00 C ATOM 221 CG LEU A 12 68.515 5.730 1.928 1.00 0.00 C ATOM 222 CD1 LEU A 12 67.458 4.729 2.258 1.00 0.00 C ATOM 223 CD2 LEU A 12 69.602 5.624 2.922 1.00 0.00 C ATOM 0 H LEU A 12 69.708 5.541 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 12 67.358 4.770 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 12 69.497 4.520 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 12 69.846 6.232 0.350 1.00 0.00 H new ATOM 0 HG LEU A 12 68.085 6.731 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 12 67.091 4.907 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 12 66.634 4.823 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 12 67.876 3.724 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 12 69.198 5.784 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 12 70.050 4.632 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 12 70.361 6.378 2.713 1.00 0.00 H new ATOM 235 N PRO A 13 67.558 8.123 -0.575 1.00 0.00 N ATOM 236 CA PRO A 13 66.725 9.305 -0.294 1.00 0.00 C ATOM 237 C PRO A 13 65.533 9.391 -1.253 1.00 0.00 C ATOM 238 O PRO A 13 64.435 9.780 -0.878 1.00 0.00 O ATOM 239 CB PRO A 13 67.705 10.466 -0.492 1.00 0.00 C ATOM 240 CG PRO A 13 68.705 9.953 -1.464 1.00 0.00 C ATOM 241 CD PRO A 13 68.895 8.517 -1.100 1.00 0.00 C ATOM 0 HA PRO A 13 66.276 9.293 0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 13 67.198 11.351 -0.875 1.00 0.00 H new ATOM 0 HB3 PRO A 13 68.177 10.751 0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 13 68.349 10.057 -2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 13 69.642 10.505 -1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 13 69.182 7.917 -1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 13 69.676 8.391 -0.350 1.00 0.00 H new ATOM 249 N GLN A 14 65.758 8.964 -2.467 1.00 0.00 N ATOM 250 CA GLN A 14 64.745 8.963 -3.484 1.00 0.00 C ATOM 251 C GLN A 14 63.722 7.850 -3.230 1.00 0.00 C ATOM 252 O GLN A 14 62.564 7.957 -3.631 1.00 0.00 O ATOM 253 CB GLN A 14 65.397 8.844 -4.858 1.00 0.00 C ATOM 254 CG GLN A 14 66.368 9.989 -5.151 1.00 0.00 C ATOM 255 CD GLN A 14 66.994 9.947 -6.535 1.00 0.00 C ATOM 256 OE1 GLN A 14 67.328 10.982 -7.105 1.00 0.00 O ATOM 257 NE2 GLN A 14 67.164 8.789 -7.083 1.00 0.00 N ATOM 0 H GLN A 14 66.660 8.604 -2.779 1.00 0.00 H new ATOM 0 HA GLN A 14 64.199 9.906 -3.453 1.00 0.00 H new ATOM 0 HB2 GLN A 14 65.930 7.895 -4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 14 64.621 8.826 -5.624 1.00 0.00 H new ATOM 0 HG2 GLN A 14 65.840 10.935 -5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 14 67.163 9.973 -4.406 1.00 0.00 H new ATOM 0 HE21 GLN A 14 66.878 7.944 -6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 14 67.584 8.720 -8.010 1.00 0.00 H new ATOM 266 N LEU A 15 64.153 6.786 -2.574 1.00 0.00 N ATOM 267 CA LEU A 15 63.272 5.715 -2.180 1.00 0.00 C ATOM 268 C LEU A 15 62.394 6.142 -1.038 1.00 0.00 C ATOM 269 O LEU A 15 61.243 5.758 -0.966 1.00 0.00 O ATOM 270 CB LEU A 15 64.085 4.552 -1.746 1.00 0.00 C ATOM 271 CG LEU A 15 63.329 3.388 -1.196 1.00 0.00 C ATOM 272 CD1 LEU A 15 62.459 2.733 -2.259 1.00 0.00 C ATOM 273 CD2 LEU A 15 64.289 2.430 -0.631 1.00 0.00 C ATOM 0 H LEU A 15 65.126 6.646 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 15 62.645 5.449 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 15 64.672 4.208 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 15 64.791 4.891 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 15 62.654 3.735 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 15 61.924 1.890 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 15 61.742 3.460 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 15 63.087 2.380 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 15 63.752 1.573 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 15 64.970 2.094 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 15 64.858 2.911 0.164 1.00 0.00 H new ATOM 285 N CYS A 16 62.947 6.922 -0.153 1.00 0.00 N ATOM 286 CA CYS A 16 62.207 7.442 0.999 1.00 0.00 C ATOM 287 C CYS A 16 60.924 8.170 0.529 1.00 0.00 C ATOM 288 O CYS A 16 59.888 8.096 1.174 1.00 0.00 O ATOM 289 CB CYS A 16 63.107 8.371 1.821 1.00 0.00 C ATOM 290 SG CYS A 16 64.584 7.581 2.503 1.00 0.00 S ATOM 0 H CYS A 16 63.920 7.224 -0.195 1.00 0.00 H new ATOM 0 HA CYS A 16 61.903 6.612 1.636 1.00 0.00 H new ATOM 0 HB2 CYS A 16 63.416 9.206 1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 16 62.523 8.788 2.641 1.00 0.00 H new ATOM 0 HG CYS A 16 65.289 7.071 1.537 1.00 0.00 H new ATOM 296 N THR A 17 61.023 8.803 -0.627 1.00 0.00 N ATOM 297 CA THR A 17 59.917 9.453 -1.320 1.00 0.00 C ATOM 298 C THR A 17 58.759 8.457 -1.578 1.00 0.00 C ATOM 299 O THR A 17 57.577 8.767 -1.391 1.00 0.00 O ATOM 300 CB THR A 17 60.463 10.006 -2.656 1.00 0.00 C ATOM 301 OG1 THR A 17 61.283 11.165 -2.430 1.00 0.00 O ATOM 302 CG2 THR A 17 59.386 10.267 -3.699 1.00 0.00 C ATOM 0 H THR A 17 61.907 8.883 -1.130 1.00 0.00 H new ATOM 0 HA THR A 17 59.515 10.260 -0.707 1.00 0.00 H new ATOM 0 HB THR A 17 61.085 9.219 -3.083 1.00 0.00 H new ATOM 0 HG1 THR A 17 61.620 11.499 -3.287 1.00 0.00 H new ATOM 0 HG21 THR A 17 59.846 10.653 -4.608 1.00 0.00 H new ATOM 0 HG22 THR A 17 58.864 9.337 -3.924 1.00 0.00 H new ATOM 0 HG23 THR A 17 58.675 10.998 -3.313 1.00 0.00 H new ATOM 310 N GLU A 18 59.132 7.264 -1.942 1.00 0.00 N ATOM 311 CA GLU A 18 58.224 6.192 -2.239 1.00 0.00 C ATOM 312 C GLU A 18 57.532 5.704 -0.988 1.00 0.00 C ATOM 313 O GLU A 18 56.324 5.502 -0.969 1.00 0.00 O ATOM 314 CB GLU A 18 59.015 5.113 -2.848 1.00 0.00 C ATOM 315 CG GLU A 18 59.435 5.429 -4.253 1.00 0.00 C ATOM 316 CD GLU A 18 58.276 5.487 -5.212 1.00 0.00 C ATOM 317 OE1 GLU A 18 57.708 4.427 -5.544 1.00 0.00 O ATOM 318 OE2 GLU A 18 57.915 6.595 -5.654 1.00 0.00 O ATOM 0 H GLU A 18 60.112 7.001 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 18 57.443 6.532 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 18 59.901 4.929 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 18 58.431 4.193 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 18 59.957 6.386 -4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 18 60.144 4.674 -4.593 1.00 0.00 H new ATOM 325 N LEU A 19 58.311 5.516 0.060 1.00 0.00 N ATOM 326 CA LEU A 19 57.794 5.191 1.371 1.00 0.00 C ATOM 327 C LEU A 19 57.072 6.369 2.009 1.00 0.00 C ATOM 328 O LEU A 19 56.511 6.227 3.104 1.00 0.00 O ATOM 329 CB LEU A 19 58.909 4.761 2.291 1.00 0.00 C ATOM 330 CG LEU A 19 59.566 3.427 2.061 1.00 0.00 C ATOM 331 CD1 LEU A 19 60.768 3.555 1.156 1.00 0.00 C ATOM 332 CD2 LEU A 19 59.955 2.861 3.369 1.00 0.00 C ATOM 0 H LEU A 19 59.328 5.586 0.023 1.00 0.00 H new ATOM 0 HA LEU A 19 57.084 4.376 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 19 59.686 5.524 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 19 58.517 4.765 3.308 1.00 0.00 H new ATOM 0 HG LEU A 19 58.861 2.761 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 19 61.220 2.574 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 19 60.457 3.958 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 19 61.497 4.226 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 19 60.433 1.893 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 19 60.652 3.537 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 19 59.068 2.735 3.989 1.00 0.00 H new ATOM 344 N GLN A 20 57.133 7.535 1.352 1.00 0.00 N ATOM 345 CA GLN A 20 56.449 8.743 1.803 1.00 0.00 C ATOM 346 C GLN A 20 56.989 9.174 3.156 1.00 0.00 C ATOM 347 O GLN A 20 56.276 9.745 3.972 1.00 0.00 O ATOM 348 CB GLN A 20 54.956 8.457 1.880 1.00 0.00 C ATOM 349 CG GLN A 20 54.333 8.132 0.545 1.00 0.00 C ATOM 350 CD GLN A 20 52.868 7.835 0.650 1.00 0.00 C ATOM 351 OE1 GLN A 20 52.463 6.690 0.830 1.00 0.00 O ATOM 352 NE2 GLN A 20 52.067 8.843 0.538 1.00 0.00 N ATOM 0 H GLN A 20 57.662 7.662 0.489 1.00 0.00 H new ATOM 0 HA GLN A 20 56.623 9.557 1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 20 54.789 7.623 2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 20 54.450 9.323 2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 20 54.482 8.971 -0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 20 54.844 7.273 0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 20 52.443 9.779 0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 20 51.059 8.702 0.599 1.00 0.00 H new ATOM 361 N THR A 21 58.251 8.937 3.360 1.00 0.00 N ATOM 362 CA THR A 21 58.865 9.205 4.613 1.00 0.00 C ATOM 363 C THR A 21 60.332 9.605 4.378 1.00 0.00 C ATOM 364 O THR A 21 60.723 9.874 3.243 1.00 0.00 O ATOM 365 CB THR A 21 58.754 7.942 5.522 1.00 0.00 C ATOM 366 OG1 THR A 21 59.095 8.269 6.860 1.00 0.00 O ATOM 367 CG2 THR A 21 59.664 6.809 5.034 1.00 0.00 C ATOM 0 H THR A 21 58.880 8.551 2.656 1.00 0.00 H new ATOM 0 HA THR A 21 58.362 10.030 5.118 1.00 0.00 H new ATOM 0 HB THR A 21 57.721 7.598 5.474 1.00 0.00 H new ATOM 0 HG1 THR A 21 58.570 7.716 7.476 1.00 0.00 H new ATOM 0 HG21 THR A 21 59.558 5.948 5.693 1.00 0.00 H new ATOM 0 HG22 THR A 21 59.382 6.527 4.020 1.00 0.00 H new ATOM 0 HG23 THR A 21 60.701 7.146 5.041 1.00 0.00 H new ATOM 375 N THR A 22 61.121 9.667 5.413 1.00 0.00 N ATOM 376 CA THR A 22 62.505 10.018 5.267 1.00 0.00 C ATOM 377 C THR A 22 63.381 8.880 5.806 1.00 0.00 C ATOM 378 O THR A 22 62.857 7.890 6.327 1.00 0.00 O ATOM 379 CB THR A 22 62.815 11.296 6.051 1.00 0.00 C ATOM 380 OG1 THR A 22 61.598 12.054 6.234 1.00 0.00 O ATOM 381 CG2 THR A 22 63.785 12.142 5.254 1.00 0.00 C ATOM 0 H THR A 22 60.828 9.478 6.371 1.00 0.00 H new ATOM 0 HA THR A 22 62.714 10.184 4.210 1.00 0.00 H new ATOM 0 HB THR A 22 63.243 11.032 7.018 1.00 0.00 H new ATOM 0 HG1 THR A 22 61.794 12.872 6.737 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.011 13.054 5.806 1.00 0.00 H new ATOM 0 HG22 THR A 22 64.705 11.582 5.088 1.00 0.00 H new ATOM 0 HG23 THR A 22 63.339 12.400 4.294 1.00 0.00 H new ATOM 389 N ILE A 23 64.715 9.052 5.740 1.00 0.00 N ATOM 390 CA ILE A 23 65.692 8.069 6.218 1.00 0.00 C ATOM 391 C ILE A 23 65.526 7.825 7.713 1.00 0.00 C ATOM 392 O ILE A 23 65.881 6.803 8.271 1.00 0.00 O ATOM 393 CB ILE A 23 67.111 8.586 6.030 1.00 0.00 C ATOM 394 CG1 ILE A 23 67.266 9.140 4.643 1.00 0.00 C ATOM 395 CG2 ILE A 23 68.106 7.449 6.258 1.00 0.00 C ATOM 396 CD1 ILE A 23 68.683 9.377 4.222 1.00 0.00 C ATOM 0 H ILE A 23 65.145 9.890 5.347 1.00 0.00 H new ATOM 0 HA ILE A 23 65.523 7.156 5.647 1.00 0.00 H new ATOM 0 HB ILE A 23 67.308 9.379 6.752 1.00 0.00 H new ATOM 0 HG12 ILE A 23 66.801 8.452 3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 23 66.719 10.081 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 23 69.121 7.822 6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 23 67.993 7.064 7.271 1.00 0.00 H new ATOM 0 HG23 ILE A 23 67.915 6.649 5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 23 68.699 9.777 3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 23 69.150 10.090 4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 23 69.233 8.436 4.250 1.00 0.00 H new ATOM 408 N HIS A 24 64.924 8.782 8.307 1.00 0.00 N ATOM 409 CA HIS A 24 64.794 8.941 9.714 1.00 0.00 C ATOM 410 C HIS A 24 63.649 8.093 10.232 1.00 0.00 C ATOM 411 O HIS A 24 63.362 8.083 11.426 1.00 0.00 O ATOM 412 CB HIS A 24 64.481 10.433 9.969 1.00 0.00 C ATOM 413 CG HIS A 24 65.280 11.392 9.112 1.00 0.00 C ATOM 414 ND1 HIS A 24 66.460 11.049 8.507 1.00 0.00 N ATOM 415 CD2 HIS A 24 64.933 12.562 8.602 1.00 0.00 C ATOM 416 CE1 HIS A 24 66.778 11.977 7.624 1.00 0.00 C ATOM 417 NE2 HIS A 24 65.882 12.946 7.643 1.00 0.00 N ATOM 0 H HIS A 24 64.473 9.535 7.788 1.00 0.00 H new ATOM 0 HA HIS A 24 65.707 8.631 10.223 1.00 0.00 H new ATOM 0 HB2 HIS A 24 63.419 10.605 9.793 1.00 0.00 H new ATOM 0 HB3 HIS A 24 64.670 10.658 11.019 1.00 0.00 H new ATOM 0 HD2 HIS A 24 64.058 13.131 8.880 1.00 0.00 H new ATOM 0 HE1 HIS A 24 67.645 11.948 6.980 1.00 0.00 H new ATOM 0 HE2 HIS A 24 65.880 13.796 7.079 1.00 0.00 H new ATOM 425 N ASP A 25 63.013 7.398 9.331 1.00 0.00 N ATOM 426 CA ASP A 25 61.816 6.617 9.633 1.00 0.00 C ATOM 427 C ASP A 25 61.726 5.332 8.766 1.00 0.00 C ATOM 428 O ASP A 25 61.194 4.308 9.217 1.00 0.00 O ATOM 429 CB ASP A 25 60.607 7.507 9.372 1.00 0.00 C ATOM 430 CG ASP A 25 59.272 6.852 9.676 1.00 0.00 C ATOM 431 OD1 ASP A 25 58.888 6.752 10.854 1.00 0.00 O ATOM 432 OD2 ASP A 25 58.558 6.465 8.718 1.00 0.00 O ATOM 0 H ASP A 25 63.302 7.348 8.354 1.00 0.00 H new ATOM 0 HA ASP A 25 61.852 6.294 10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 25 60.700 8.412 9.973 1.00 0.00 H new ATOM 0 HB3 ASP A 25 60.617 7.816 8.327 1.00 0.00 H new ATOM 437 N ILE A 26 62.247 5.419 7.533 1.00 0.00 N ATOM 438 CA ILE A 26 62.245 4.327 6.515 1.00 0.00 C ATOM 439 C ILE A 26 62.676 2.956 7.036 1.00 0.00 C ATOM 440 O ILE A 26 63.660 2.817 7.774 1.00 0.00 O ATOM 441 CB ILE A 26 63.157 4.699 5.296 1.00 0.00 C ATOM 442 CG1 ILE A 26 63.243 3.553 4.287 1.00 0.00 C ATOM 443 CG2 ILE A 26 64.553 5.018 5.780 1.00 0.00 C ATOM 444 CD1 ILE A 26 63.957 3.905 3.011 1.00 0.00 C ATOM 0 H ILE A 26 62.697 6.270 7.195 1.00 0.00 H new ATOM 0 HA ILE A 26 61.200 4.240 6.219 1.00 0.00 H new ATOM 0 HB ILE A 26 62.713 5.566 4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 26 63.753 2.710 4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 26 62.233 3.221 4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 26 65.183 5.276 4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 26 64.515 5.860 6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 26 64.969 4.149 6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 26 63.973 3.037 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 26 63.437 4.726 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 26 64.979 4.208 3.238 1.00 0.00 H new ATOM 456 N ILE A 27 61.917 1.953 6.665 1.00 0.00 N ATOM 457 CA ILE A 27 62.292 0.626 6.915 1.00 0.00 C ATOM 458 C ILE A 27 62.863 0.009 5.696 1.00 0.00 C ATOM 459 O ILE A 27 62.184 -0.216 4.695 1.00 0.00 O ATOM 460 CB ILE A 27 61.167 -0.209 7.521 1.00 0.00 C ATOM 461 CG1 ILE A 27 60.782 0.352 8.890 1.00 0.00 C ATOM 462 CG2 ILE A 27 61.549 -1.677 7.605 1.00 0.00 C ATOM 463 CD1 ILE A 27 61.902 0.323 9.916 1.00 0.00 C ATOM 0 H ILE A 27 61.025 2.058 6.182 1.00 0.00 H new ATOM 0 HA ILE A 27 63.072 0.647 7.677 1.00 0.00 H new ATOM 0 HB ILE A 27 60.297 -0.147 6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 27 60.445 1.381 8.766 1.00 0.00 H new ATOM 0 HG13 ILE A 27 59.936 -0.216 9.277 1.00 0.00 H new ATOM 0 HG21 ILE A 27 60.726 -2.243 8.041 1.00 0.00 H new ATOM 0 HG22 ILE A 27 61.760 -2.056 6.605 1.00 0.00 H new ATOM 0 HG23 ILE A 27 62.436 -1.787 8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 27 61.544 0.739 10.858 1.00 0.00 H new ATOM 0 HD12 ILE A 27 62.225 -0.706 10.073 1.00 0.00 H new ATOM 0 HD13 ILE A 27 62.742 0.916 9.554 1.00 0.00 H new ATOM 475 N LEU A 28 64.126 -0.219 5.789 1.00 0.00 N ATOM 476 CA LEU A 28 64.869 -0.821 4.778 1.00 0.00 C ATOM 477 C LEU A 28 65.520 -1.992 5.349 1.00 0.00 C ATOM 478 O LEU A 28 66.101 -1.884 6.455 1.00 0.00 O ATOM 479 CB LEU A 28 65.913 0.135 4.308 1.00 0.00 C ATOM 480 CG LEU A 28 65.921 0.289 2.830 1.00 0.00 C ATOM 481 CD1 LEU A 28 64.505 0.588 2.398 1.00 0.00 C ATOM 482 CD2 LEU A 28 66.839 1.399 2.438 1.00 0.00 C ATOM 0 H LEU A 28 64.677 0.025 6.612 1.00 0.00 H new ATOM 0 HA LEU A 28 64.230 -1.102 3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 28 65.745 1.108 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 28 66.892 -0.210 4.639 1.00 0.00 H new ATOM 0 HG LEU A 28 66.277 -0.620 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 28 64.473 0.708 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 28 63.854 -0.235 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 28 64.166 1.507 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 28 66.839 1.505 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 28 66.500 2.329 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 28 67.849 1.174 2.781 1.00 0.00 H new ATOM 494 N GLU A 29 65.463 -3.125 4.708 1.00 0.00 N ATOM 495 CA GLU A 29 66.177 -4.208 5.388 1.00 0.00 C ATOM 496 C GLU A 29 67.322 -4.670 4.625 1.00 0.00 C ATOM 497 O GLU A 29 67.669 -4.044 3.695 1.00 0.00 O ATOM 498 CB GLU A 29 65.350 -5.360 5.863 1.00 0.00 C ATOM 499 CG GLU A 29 64.523 -6.027 4.905 1.00 0.00 C ATOM 500 CD GLU A 29 63.792 -7.233 5.436 1.00 0.00 C ATOM 501 OE1 GLU A 29 62.657 -7.095 5.908 1.00 0.00 O ATOM 502 OE2 GLU A 29 64.320 -8.364 5.340 1.00 0.00 O ATOM 0 H GLU A 29 64.996 -3.330 3.824 1.00 0.00 H new ATOM 0 HA GLU A 29 66.521 -3.731 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 29 66.023 -6.099 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 29 64.708 -5.002 6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 29 63.792 -5.317 4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 29 65.142 -6.336 4.063 1.00 0.00 H new ATOM 509 N CYS A 30 68.034 -5.646 5.117 1.00 0.00 N ATOM 510 CA CYS A 30 68.946 -6.298 4.329 1.00 0.00 C ATOM 511 C CYS A 30 68.233 -7.165 3.291 1.00 0.00 C ATOM 512 O CYS A 30 67.178 -7.787 3.531 1.00 0.00 O ATOM 513 CB CYS A 30 69.865 -7.154 5.141 1.00 0.00 C ATOM 514 SG CYS A 30 71.111 -7.893 4.114 1.00 0.00 S ATOM 0 H CYS A 30 67.972 -5.984 6.077 1.00 0.00 H new ATOM 0 HA CYS A 30 69.540 -5.536 3.825 1.00 0.00 H new ATOM 0 HB2 CYS A 30 70.337 -6.553 5.918 1.00 0.00 H new ATOM 0 HB3 CYS A 30 69.293 -7.933 5.644 1.00 0.00 H new ATOM 0 HG CYS A 30 71.995 -8.483 4.862 1.00 0.00 H new ATOM 519 N VAL A 31 68.833 -7.188 2.187 1.00 0.00 N ATOM 520 CA VAL A 31 68.451 -7.940 1.024 1.00 0.00 C ATOM 521 C VAL A 31 69.070 -9.356 1.089 1.00 0.00 C ATOM 522 O VAL A 31 68.446 -10.334 0.751 1.00 0.00 O ATOM 523 CB VAL A 31 68.953 -7.132 -0.236 1.00 0.00 C ATOM 524 CG1 VAL A 31 70.227 -6.478 0.034 1.00 0.00 C ATOM 525 CG2 VAL A 31 69.149 -7.939 -1.456 1.00 0.00 C ATOM 0 H VAL A 31 69.681 -6.643 2.031 1.00 0.00 H new ATOM 0 HA VAL A 31 67.371 -8.071 0.965 1.00 0.00 H new ATOM 0 HB VAL A 31 68.148 -6.420 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 31 70.549 -5.929 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 31 70.111 -5.786 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 31 70.975 -7.229 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 31 69.494 -7.296 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 31 69.893 -8.713 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 31 68.205 -8.405 -1.740 1.00 0.00 H new ATOM 535 N TYR A 32 70.222 -9.433 1.652 1.00 0.00 N ATOM 536 CA TYR A 32 71.039 -10.634 1.617 1.00 0.00 C ATOM 537 C TYR A 32 71.025 -11.431 2.927 1.00 0.00 C ATOM 538 O TYR A 32 70.712 -12.618 2.934 1.00 0.00 O ATOM 539 CB TYR A 32 72.483 -10.251 1.324 1.00 0.00 C ATOM 540 CG TYR A 32 72.634 -9.386 0.115 1.00 0.00 C ATOM 541 CD1 TYR A 32 72.040 -9.743 -1.088 1.00 0.00 C ATOM 542 CD2 TYR A 32 73.381 -8.210 0.171 1.00 0.00 C ATOM 543 CE1 TYR A 32 72.182 -8.976 -2.191 1.00 0.00 C ATOM 544 CE2 TYR A 32 73.529 -7.406 -0.937 1.00 0.00 C ATOM 545 CZ TYR A 32 72.928 -7.796 -2.128 1.00 0.00 C ATOM 546 OH TYR A 32 73.077 -7.024 -3.250 1.00 0.00 O ATOM 0 H TYR A 32 70.648 -8.660 2.164 1.00 0.00 H new ATOM 0 HA TYR A 32 70.612 -11.267 0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 32 72.895 -9.730 2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 32 73.071 -11.158 1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 32 71.455 -10.649 -1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 32 73.852 -7.925 1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 32 71.720 -9.274 -3.120 1.00 0.00 H new ATOM 0 HE2 TYR A 32 74.100 -6.491 -0.882 1.00 0.00 H new ATOM 0 HH TYR A 32 72.289 -7.125 -3.824 1.00 0.00 H new ATOM 556 N CYS A 33 71.355 -10.763 4.030 1.00 0.00 N ATOM 557 CA CYS A 33 71.588 -11.428 5.300 1.00 0.00 C ATOM 558 C CYS A 33 70.298 -11.466 6.146 1.00 0.00 C ATOM 559 O CYS A 33 70.247 -12.144 7.173 1.00 0.00 O ATOM 560 CB CYS A 33 72.682 -10.677 6.096 1.00 0.00 C ATOM 561 SG CYS A 33 73.934 -9.779 5.108 1.00 0.00 S ATOM 0 H CYS A 33 71.467 -9.750 4.064 1.00 0.00 H new ATOM 0 HA CYS A 33 71.909 -12.448 5.091 1.00 0.00 H new ATOM 0 HB2 CYS A 33 72.193 -9.963 6.759 1.00 0.00 H new ATOM 0 HB3 CYS A 33 73.199 -11.398 6.730 1.00 0.00 H new ATOM 0 HG CYS A 33 73.981 -8.538 5.491 1.00 0.00 H new ATOM 566 N LYS A 34 69.315 -10.682 5.732 1.00 0.00 N ATOM 567 CA LYS A 34 68.019 -10.576 6.372 1.00 0.00 C ATOM 568 C LYS A 34 67.938 -10.088 7.819 1.00 0.00 C ATOM 569 O LYS A 34 67.759 -10.872 8.754 1.00 0.00 O ATOM 570 CB LYS A 34 67.133 -11.762 6.101 1.00 0.00 C ATOM 571 CG LYS A 34 66.197 -11.541 4.945 1.00 0.00 C ATOM 572 CD LYS A 34 66.883 -11.148 3.656 1.00 0.00 C ATOM 573 CE LYS A 34 65.849 -10.760 2.619 1.00 0.00 C ATOM 574 NZ LYS A 34 65.077 -9.551 3.028 1.00 0.00 N ATOM 0 H LYS A 34 69.404 -10.082 4.912 1.00 0.00 H new ATOM 0 HA LYS A 34 67.614 -9.708 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 34 67.754 -12.634 5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 34 66.551 -11.987 6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 34 65.626 -12.454 4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 34 65.482 -10.763 5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 34 67.562 -10.314 3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 34 67.487 -11.977 3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 34 66.344 -10.570 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 34 65.163 -11.592 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 64.392 -9.309 2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 64.570 -9.746 3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 65.730 -8.754 3.170 1.00 0.00 H new ATOM 588 N GLN A 35 68.161 -8.804 7.986 1.00 0.00 N ATOM 589 CA GLN A 35 67.840 -8.091 9.123 1.00 0.00 C ATOM 590 C GLN A 35 67.664 -6.666 8.730 1.00 0.00 C ATOM 591 O GLN A 35 68.327 -6.195 7.814 1.00 0.00 O ATOM 592 CB GLN A 35 68.830 -8.183 10.246 1.00 0.00 C ATOM 593 CG GLN A 35 70.277 -7.930 9.939 1.00 0.00 C ATOM 594 CD GLN A 35 70.987 -9.184 9.580 1.00 0.00 C ATOM 595 OE1 GLN A 35 71.506 -9.903 10.436 1.00 0.00 O ATOM 596 NE2 GLN A 35 71.074 -9.437 8.352 1.00 0.00 N ATOM 0 H GLN A 35 68.599 -8.228 7.267 1.00 0.00 H new ATOM 0 HA GLN A 35 66.929 -8.537 9.522 1.00 0.00 H new ATOM 0 HB2 GLN A 35 68.525 -7.476 11.017 1.00 0.00 H new ATOM 0 HB3 GLN A 35 68.751 -9.180 10.679 1.00 0.00 H new ATOM 0 HG2 GLN A 35 70.356 -7.218 9.117 1.00 0.00 H new ATOM 0 HG3 GLN A 35 70.759 -7.473 10.804 1.00 0.00 H new ATOM 0 HE21 GLN A 35 70.632 -8.819 7.671 1.00 0.00 H new ATOM 0 HE22 GLN A 35 71.587 -10.260 8.036 1.00 0.00 H new ATOM 605 N GLN A 36 66.733 -6.036 9.336 1.00 0.00 N ATOM 606 CA GLN A 36 66.455 -4.683 9.179 1.00 0.00 C ATOM 607 C GLN A 36 67.652 -3.887 9.640 1.00 0.00 C ATOM 608 O GLN A 36 68.227 -4.175 10.705 1.00 0.00 O ATOM 609 CB GLN A 36 65.293 -4.378 10.065 1.00 0.00 C ATOM 610 CG GLN A 36 64.523 -3.200 9.653 1.00 0.00 C ATOM 611 CD GLN A 36 63.408 -2.901 10.619 1.00 0.00 C ATOM 612 OE1 GLN A 36 63.587 -2.163 11.583 1.00 0.00 O ATOM 613 NE2 GLN A 36 62.267 -3.500 10.406 1.00 0.00 N ATOM 0 H GLN A 36 66.108 -6.494 9.999 1.00 0.00 H new ATOM 0 HA GLN A 36 66.235 -4.435 8.141 1.00 0.00 H new ATOM 0 HB2 GLN A 36 64.630 -5.243 10.088 1.00 0.00 H new ATOM 0 HB3 GLN A 36 65.655 -4.226 11.082 1.00 0.00 H new ATOM 0 HG2 GLN A 36 65.186 -2.338 9.583 1.00 0.00 H new ATOM 0 HG3 GLN A 36 64.109 -3.365 8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 36 62.153 -4.107 9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 36 61.490 -3.361 11.052 1.00 0.00 H new ATOM 622 N LEU A 37 68.042 -2.926 8.858 1.00 0.00 N ATOM 623 CA LEU A 37 69.142 -2.109 9.199 1.00 0.00 C ATOM 624 C LEU A 37 68.895 -1.272 10.411 1.00 0.00 C ATOM 625 O LEU A 37 67.780 -0.788 10.660 1.00 0.00 O ATOM 626 CB LEU A 37 69.576 -1.221 8.051 1.00 0.00 C ATOM 627 CG LEU A 37 70.513 -1.828 7.027 1.00 0.00 C ATOM 628 CD1 LEU A 37 69.819 -2.867 6.179 1.00 0.00 C ATOM 629 CD2 LEU A 37 71.160 -0.743 6.190 1.00 0.00 C ATOM 0 H LEU A 37 67.600 -2.695 7.968 1.00 0.00 H new ATOM 0 HA LEU A 37 69.948 -2.805 9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 37 68.681 -0.879 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 37 70.058 -0.338 8.470 1.00 0.00 H new ATOM 0 HG LEU A 37 71.307 -2.350 7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.525 -3.278 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 37 69.445 -3.667 6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 37 68.985 -2.406 5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 37 71.830 -1.197 5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 37 70.388 -0.175 5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 37 71.728 -0.075 6.837 1.00 0.00 H new ATOM 641 N LEU A 38 69.942 -1.146 11.176 1.00 0.00 N ATOM 642 CA LEU A 38 70.018 -0.277 12.275 1.00 0.00 C ATOM 643 C LEU A 38 69.945 1.096 11.672 1.00 0.00 C ATOM 644 O LEU A 38 70.595 1.321 10.658 1.00 0.00 O ATOM 645 CB LEU A 38 71.367 -0.468 12.905 1.00 0.00 C ATOM 646 CG LEU A 38 71.443 -0.439 14.409 1.00 0.00 C ATOM 647 CD1 LEU A 38 72.820 -0.885 14.833 1.00 0.00 C ATOM 648 CD2 LEU A 38 71.140 0.946 14.963 1.00 0.00 C ATOM 0 H LEU A 38 70.798 -1.681 11.028 1.00 0.00 H new ATOM 0 HA LEU A 38 69.241 -0.441 13.022 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.764 -1.425 12.567 1.00 0.00 H new ATOM 0 HB3 LEU A 38 72.031 0.306 12.520 1.00 0.00 H new ATOM 0 HG LEU A 38 70.689 -1.115 14.811 1.00 0.00 H new ATOM 0 HD11 LEU A 38 72.889 -0.869 15.921 1.00 0.00 H new ATOM 0 HD12 LEU A 38 73.001 -1.898 14.473 1.00 0.00 H new ATOM 0 HD13 LEU A 38 73.566 -0.211 14.412 1.00 0.00 H new ATOM 0 HD21 LEU A 38 71.205 0.925 16.051 1.00 0.00 H new ATOM 0 HD22 LEU A 38 71.863 1.661 14.570 1.00 0.00 H new ATOM 0 HD23 LEU A 38 70.135 1.245 14.665 1.00 0.00 H new ATOM 660 N ARG A 39 69.143 1.971 12.229 1.00 0.00 N ATOM 661 CA ARG A 39 68.913 3.317 11.677 1.00 0.00 C ATOM 662 C ARG A 39 70.248 4.021 11.335 1.00 0.00 C ATOM 663 O ARG A 39 70.343 4.719 10.330 1.00 0.00 O ATOM 664 CB ARG A 39 68.144 4.133 12.696 1.00 0.00 C ATOM 665 CG ARG A 39 67.612 5.455 12.200 1.00 0.00 C ATOM 666 CD ARG A 39 66.956 6.193 13.358 1.00 0.00 C ATOM 667 NE ARG A 39 66.100 7.304 12.934 1.00 0.00 N ATOM 668 CZ ARG A 39 66.099 8.531 13.475 1.00 0.00 C ATOM 669 NH1 ARG A 39 67.058 8.898 14.318 1.00 0.00 N ATOM 670 NH2 ARG A 39 65.133 9.383 13.166 1.00 0.00 N ATOM 0 H ARG A 39 68.620 1.784 13.085 1.00 0.00 H new ATOM 0 HA ARG A 39 68.341 3.228 10.753 1.00 0.00 H new ATOM 0 HB2 ARG A 39 67.306 3.536 13.057 1.00 0.00 H new ATOM 0 HB3 ARG A 39 68.794 4.320 13.551 1.00 0.00 H new ATOM 0 HG2 ARG A 39 68.422 6.054 11.783 1.00 0.00 H new ATOM 0 HG3 ARG A 39 66.890 5.293 11.400 1.00 0.00 H new ATOM 0 HD2 ARG A 39 66.361 5.487 13.938 1.00 0.00 H new ATOM 0 HD3 ARG A 39 67.732 6.575 14.021 1.00 0.00 H new ATOM 0 HE ARG A 39 65.453 7.130 12.165 1.00 0.00 H new ATOM 0 HH11 ARG A 39 67.803 8.244 14.559 1.00 0.00 H new ATOM 0 HH12 ARG A 39 67.049 9.833 14.725 1.00 0.00 H new ATOM 0 HH21 ARG A 39 64.395 9.104 12.520 1.00 0.00 H new ATOM 0 HH22 ARG A 39 65.127 10.318 13.575 1.00 0.00 H new ATOM 684 N ARG A 40 71.281 3.755 12.141 1.00 0.00 N ATOM 685 CA ARG A 40 72.621 4.242 11.905 1.00 0.00 C ATOM 686 C ARG A 40 73.127 3.800 10.523 1.00 0.00 C ATOM 687 O ARG A 40 73.578 4.625 9.722 1.00 0.00 O ATOM 688 CB ARG A 40 73.547 3.655 12.953 1.00 0.00 C ATOM 689 CG ARG A 40 73.392 4.175 14.361 1.00 0.00 C ATOM 690 CD ARG A 40 73.810 5.632 14.462 1.00 0.00 C ATOM 691 NE ARG A 40 75.150 5.862 13.887 1.00 0.00 N ATOM 692 CZ ARG A 40 76.294 6.001 14.565 1.00 0.00 C ATOM 693 NH1 ARG A 40 76.333 5.842 15.882 1.00 0.00 N ATOM 694 NH2 ARG A 40 77.406 6.279 13.914 1.00 0.00 N ATOM 0 H ARG A 40 71.196 3.187 12.984 1.00 0.00 H new ATOM 0 HA ARG A 40 72.607 5.331 11.954 1.00 0.00 H new ATOM 0 HB2 ARG A 40 73.400 2.575 12.971 1.00 0.00 H new ATOM 0 HB3 ARG A 40 74.575 3.831 12.636 1.00 0.00 H new ATOM 0 HG2 ARG A 40 72.354 4.070 14.677 1.00 0.00 H new ATOM 0 HG3 ARG A 40 73.995 3.574 15.041 1.00 0.00 H new ATOM 0 HD2 ARG A 40 73.081 6.255 13.944 1.00 0.00 H new ATOM 0 HD3 ARG A 40 73.806 5.939 15.508 1.00 0.00 H new ATOM 0 HE ARG A 40 75.209 5.921 12.870 1.00 0.00 H new ATOM 0 HH11 ARG A 40 75.481 5.610 16.393 1.00 0.00 H new ATOM 0 HH12 ARG A 40 77.215 5.952 16.383 1.00 0.00 H new ATOM 0 HH21 ARG A 40 77.390 6.387 12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 40 78.283 6.387 14.424 1.00 0.00 H new ATOM 708 N GLU A 41 73.017 2.498 10.264 1.00 0.00 N ATOM 709 CA GLU A 41 73.480 1.865 9.018 1.00 0.00 C ATOM 710 C GLU A 41 72.646 2.371 7.846 1.00 0.00 C ATOM 711 O GLU A 41 73.136 2.484 6.723 1.00 0.00 O ATOM 712 CB GLU A 41 73.331 0.323 9.100 1.00 0.00 C ATOM 713 CG GLU A 41 73.845 -0.334 10.378 1.00 0.00 C ATOM 714 CD GLU A 41 75.204 0.130 10.820 1.00 0.00 C ATOM 715 OE1 GLU A 41 76.218 -0.401 10.362 1.00 0.00 O ATOM 716 OE2 GLU A 41 75.277 1.017 11.674 1.00 0.00 O ATOM 0 H GLU A 41 72.598 1.839 10.920 1.00 0.00 H new ATOM 0 HA GLU A 41 74.530 2.120 8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.276 0.074 8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.856 -0.118 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.132 -0.143 11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.875 -1.413 10.229 1.00 0.00 H new ATOM 723 N VAL A 42 71.379 2.671 8.118 1.00 0.00 N ATOM 724 CA VAL A 42 70.492 3.188 7.090 1.00 0.00 C ATOM 725 C VAL A 42 71.018 4.555 6.647 1.00 0.00 C ATOM 726 O VAL A 42 71.108 4.833 5.463 1.00 0.00 O ATOM 727 CB VAL A 42 69.013 3.328 7.567 1.00 0.00 C ATOM 728 CG1 VAL A 42 68.099 3.537 6.380 1.00 0.00 C ATOM 729 CG2 VAL A 42 68.557 2.107 8.329 1.00 0.00 C ATOM 0 H VAL A 42 70.949 2.565 9.037 1.00 0.00 H new ATOM 0 HA VAL A 42 70.485 2.474 6.266 1.00 0.00 H new ATOM 0 HB VAL A 42 68.966 4.191 8.232 1.00 0.00 H new ATOM 0 HG11 VAL A 42 67.070 3.633 6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 42 68.391 4.445 5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.177 2.684 5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.522 2.241 8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.630 1.229 7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 42 69.189 1.968 9.206 1.00 0.00 H new ATOM 739 N TYR A 43 71.404 5.394 7.615 1.00 0.00 N ATOM 740 CA TYR A 43 72.009 6.687 7.301 1.00 0.00 C ATOM 741 C TYR A 43 73.267 6.555 6.484 1.00 0.00 C ATOM 742 O TYR A 43 73.471 7.342 5.566 1.00 0.00 O ATOM 743 CB TYR A 43 72.303 7.505 8.546 1.00 0.00 C ATOM 744 CG TYR A 43 71.091 8.058 9.166 1.00 0.00 C ATOM 745 CD1 TYR A 43 70.302 8.941 8.475 1.00 0.00 C ATOM 746 CD2 TYR A 43 70.718 7.689 10.431 1.00 0.00 C ATOM 747 CE1 TYR A 43 69.167 9.443 9.026 1.00 0.00 C ATOM 748 CE2 TYR A 43 69.584 8.185 11.001 1.00 0.00 C ATOM 749 CZ TYR A 43 68.804 9.064 10.290 1.00 0.00 C ATOM 750 OH TYR A 43 67.656 9.568 10.842 1.00 0.00 O ATOM 0 H TYR A 43 71.308 5.201 8.612 1.00 0.00 H new ATOM 0 HA TYR A 43 71.263 7.213 6.704 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.823 6.879 9.271 1.00 0.00 H new ATOM 0 HB3 TYR A 43 72.978 8.321 8.287 1.00 0.00 H new ATOM 0 HD1 TYR A 43 70.587 9.242 7.478 1.00 0.00 H new ATOM 0 HD2 TYR A 43 71.332 6.994 10.985 1.00 0.00 H new ATOM 0 HE1 TYR A 43 68.554 10.137 8.470 1.00 0.00 H new ATOM 0 HE2 TYR A 43 69.302 7.890 12.001 1.00 0.00 H new ATOM 0 HH TYR A 43 67.175 10.096 10.171 1.00 0.00 H new ATOM 760 N ASP A 44 74.090 5.545 6.790 1.00 0.00 N ATOM 761 CA ASP A 44 75.351 5.305 6.092 1.00 0.00 C ATOM 762 C ASP A 44 75.157 5.260 4.633 1.00 0.00 C ATOM 763 O ASP A 44 75.903 5.863 3.884 1.00 0.00 O ATOM 764 CB ASP A 44 75.973 3.982 6.500 1.00 0.00 C ATOM 765 CG ASP A 44 76.677 4.008 7.840 1.00 0.00 C ATOM 766 OD1 ASP A 44 77.784 4.609 7.936 1.00 0.00 O ATOM 767 OD2 ASP A 44 76.213 3.397 8.788 1.00 0.00 O ATOM 0 H ASP A 44 73.896 4.871 7.531 1.00 0.00 H new ATOM 0 HA ASP A 44 76.006 6.132 6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 44 75.193 3.221 6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 44 76.687 3.679 5.734 1.00 0.00 H new ATOM 772 N PHE A 45 74.127 4.600 4.257 1.00 0.00 N ATOM 773 CA PHE A 45 73.810 4.348 2.904 1.00 0.00 C ATOM 774 C PHE A 45 73.708 5.664 2.084 1.00 0.00 C ATOM 775 O PHE A 45 74.341 5.793 1.035 1.00 0.00 O ATOM 776 CB PHE A 45 72.517 3.600 2.889 1.00 0.00 C ATOM 777 CG PHE A 45 72.416 2.631 1.811 1.00 0.00 C ATOM 778 CD1 PHE A 45 72.895 1.333 1.979 1.00 0.00 C ATOM 779 CD2 PHE A 45 71.824 2.984 0.633 1.00 0.00 C ATOM 780 CE1 PHE A 45 72.758 0.428 0.955 1.00 0.00 C ATOM 781 CE2 PHE A 45 71.703 2.091 -0.374 1.00 0.00 C ATOM 782 CZ PHE A 45 72.160 0.815 -0.222 1.00 0.00 C ATOM 0 H PHE A 45 73.453 4.204 4.912 1.00 0.00 H new ATOM 0 HA PHE A 45 74.600 3.762 2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 45 72.394 3.085 3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 45 71.696 4.312 2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 45 73.369 1.042 2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 45 71.448 3.988 0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 45 73.118 -0.583 1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 45 71.242 2.389 -1.304 1.00 0.00 H new ATOM 0 HZ PHE A 45 72.052 0.105 -1.029 1.00 0.00 H new ATOM 792 N ALA A 46 72.945 6.641 2.586 1.00 0.00 N ATOM 793 CA ALA A 46 72.805 7.934 1.895 1.00 0.00 C ATOM 794 C ALA A 46 73.925 8.895 2.262 1.00 0.00 C ATOM 795 O ALA A 46 74.143 9.895 1.569 1.00 0.00 O ATOM 796 CB ALA A 46 71.464 8.587 2.167 1.00 0.00 C ATOM 0 H ALA A 46 72.420 6.566 3.457 1.00 0.00 H new ATOM 0 HA ALA A 46 72.868 7.713 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 46 71.408 9.537 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 46 70.664 7.932 1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 46 71.355 8.762 3.237 1.00 0.00 H new ATOM 802 N ARG A 47 74.614 8.623 3.367 1.00 0.00 N ATOM 803 CA ARG A 47 75.719 9.467 3.815 1.00 0.00 C ATOM 804 C ARG A 47 76.966 9.168 2.999 1.00 0.00 C ATOM 805 O ARG A 47 77.945 9.923 2.993 1.00 0.00 O ATOM 806 CB ARG A 47 75.927 9.305 5.329 1.00 0.00 C ATOM 807 CG ARG A 47 75.171 10.338 6.192 1.00 0.00 C ATOM 808 CD ARG A 47 73.684 10.442 5.840 1.00 0.00 C ATOM 809 NE ARG A 47 72.955 11.349 6.741 1.00 0.00 N ATOM 810 CZ ARG A 47 72.117 12.334 6.362 1.00 0.00 C ATOM 811 NH1 ARG A 47 71.970 12.643 5.078 1.00 0.00 N ATOM 812 NH2 ARG A 47 71.447 13.016 7.273 1.00 0.00 N ATOM 0 H ARG A 47 74.426 7.822 3.970 1.00 0.00 H new ATOM 0 HA ARG A 47 75.481 10.517 3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.610 8.304 5.622 1.00 0.00 H new ATOM 0 HB3 ARG A 47 76.993 9.378 5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 47 75.271 10.067 7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 47 75.637 11.316 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 47 73.580 10.794 4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 47 73.233 9.451 5.884 1.00 0.00 H new ATOM 0 HE ARG A 47 73.097 11.220 7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 47 72.494 12.133 4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 47 71.333 13.390 4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 47 71.564 12.797 8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 47 70.812 13.762 6.987 1.00 0.00 H new ATOM 826 N ARG A 48 76.917 8.048 2.339 1.00 0.00 N ATOM 827 CA ARG A 48 77.875 7.648 1.359 1.00 0.00 C ATOM 828 C ARG A 48 77.112 7.665 0.033 1.00 0.00 C ATOM 829 O ARG A 48 76.194 8.480 -0.135 1.00 0.00 O ATOM 830 CB ARG A 48 78.302 6.256 1.679 1.00 0.00 C ATOM 831 CG ARG A 48 78.833 6.069 3.077 1.00 0.00 C ATOM 832 CD ARG A 48 78.934 4.601 3.368 1.00 0.00 C ATOM 833 NE ARG A 48 79.209 4.293 4.767 1.00 0.00 N ATOM 834 CZ ARG A 48 79.487 3.066 5.231 1.00 0.00 C ATOM 835 NH1 ARG A 48 79.746 2.067 4.396 1.00 0.00 N ATOM 836 NH2 ARG A 48 79.513 2.847 6.527 1.00 0.00 N ATOM 0 H ARG A 48 76.175 7.362 2.477 1.00 0.00 H new ATOM 0 HA ARG A 48 78.756 8.289 1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 48 77.454 5.587 1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 48 79.071 5.953 0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 48 79.811 6.540 3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 48 78.173 6.551 3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 48 78.001 4.118 3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 48 79.722 4.172 2.750 1.00 0.00 H new ATOM 0 HE ARG A 48 79.188 5.062 5.437 1.00 0.00 H new ATOM 0 HH11 ARG A 48 79.735 2.228 3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 48 79.956 1.138 4.762 1.00 0.00 H new ATOM 0 HH21 ARG A 48 79.322 3.609 7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 48 79.724 1.915 6.883 1.00 0.00 H new ATOM 850 N ASP A 49 77.450 6.818 -0.892 1.00 0.00 N ATOM 851 CA ASP A 49 76.705 6.754 -2.138 1.00 0.00 C ATOM 852 C ASP A 49 76.615 5.328 -2.623 1.00 0.00 C ATOM 853 O ASP A 49 77.404 4.878 -3.450 1.00 0.00 O ATOM 854 CB ASP A 49 77.272 7.706 -3.216 1.00 0.00 C ATOM 855 CG ASP A 49 76.581 7.575 -4.565 1.00 0.00 C ATOM 856 OD1 ASP A 49 75.426 8.048 -4.732 1.00 0.00 O ATOM 857 OD2 ASP A 49 77.179 7.000 -5.480 1.00 0.00 O ATOM 0 H ASP A 49 78.228 6.162 -0.820 1.00 0.00 H new ATOM 0 HA ASP A 49 75.693 7.106 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 49 77.178 8.734 -2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 49 78.336 7.508 -3.341 1.00 0.00 H new ATOM 862 N LEU A 50 75.770 4.581 -1.985 1.00 0.00 N ATOM 863 CA LEU A 50 75.533 3.221 -2.363 1.00 0.00 C ATOM 864 C LEU A 50 74.285 3.107 -3.199 1.00 0.00 C ATOM 865 O LEU A 50 73.524 4.066 -3.343 1.00 0.00 O ATOM 866 CB LEU A 50 75.411 2.305 -1.139 1.00 0.00 C ATOM 867 CG LEU A 50 76.651 2.168 -0.260 1.00 0.00 C ATOM 868 CD1 LEU A 50 76.908 3.401 0.550 1.00 0.00 C ATOM 869 CD2 LEU A 50 76.567 0.959 0.618 1.00 0.00 C ATOM 0 H LEU A 50 75.223 4.897 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 50 76.393 2.900 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 50 74.593 2.672 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 50 75.127 1.311 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 50 77.500 2.040 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 50 77.800 3.257 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 50 77.058 4.250 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 50 76.053 3.595 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 50 77.466 0.891 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 50 75.693 1.038 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 50 76.481 0.065 -0.000 1.00 0.00 H new ATOM 881 N CYS A 51 74.074 1.948 -3.726 1.00 0.00 N ATOM 882 CA CYS A 51 72.926 1.667 -4.511 1.00 0.00 C ATOM 883 C CYS A 51 72.079 0.638 -3.801 1.00 0.00 C ATOM 884 O CYS A 51 72.607 -0.276 -3.159 1.00 0.00 O ATOM 885 CB CYS A 51 73.363 1.198 -5.896 1.00 0.00 C ATOM 886 SG CYS A 51 74.642 -0.086 -5.872 1.00 0.00 S ATOM 0 H CYS A 51 74.708 1.156 -3.619 1.00 0.00 H new ATOM 0 HA CYS A 51 72.320 2.563 -4.642 1.00 0.00 H new ATOM 0 HB2 CYS A 51 72.492 0.819 -6.431 1.00 0.00 H new ATOM 0 HB3 CYS A 51 73.734 2.055 -6.458 1.00 0.00 H new ATOM 0 HG CYS A 51 74.945 -0.420 -7.091 1.00 0.00 H new ATOM 892 N ILE A 52 70.791 0.814 -3.879 1.00 0.00 N ATOM 893 CA ILE A 52 69.867 -0.068 -3.241 1.00 0.00 C ATOM 894 C ILE A 52 69.656 -1.295 -4.027 1.00 0.00 C ATOM 895 O ILE A 52 69.605 -1.293 -5.266 1.00 0.00 O ATOM 896 CB ILE A 52 68.540 0.639 -2.894 1.00 0.00 C ATOM 897 CG1 ILE A 52 68.844 1.521 -1.740 1.00 0.00 C ATOM 898 CG2 ILE A 52 67.379 -0.327 -2.577 1.00 0.00 C ATOM 899 CD1 ILE A 52 67.690 2.061 -1.061 1.00 0.00 C ATOM 0 H ILE A 52 70.353 1.580 -4.391 1.00 0.00 H new ATOM 0 HA ILE A 52 70.313 -0.372 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 52 68.183 1.198 -3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 52 69.440 0.959 -1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.462 2.349 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 52 66.482 0.246 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 52 67.188 -0.963 -3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 52 67.646 -0.948 -1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 52 68.016 2.691 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 52 67.102 2.655 -1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 52 67.079 1.244 -0.676 1.00 0.00 H new ATOM 911 N VAL A 53 69.549 -2.316 -3.297 1.00 0.00 N ATOM 912 CA VAL A 53 69.467 -3.617 -3.756 1.00 0.00 C ATOM 913 C VAL A 53 68.128 -4.208 -3.399 1.00 0.00 C ATOM 914 O VAL A 53 67.737 -4.321 -2.232 1.00 0.00 O ATOM 915 CB VAL A 53 70.636 -4.420 -3.171 1.00 0.00 C ATOM 916 CG1 VAL A 53 71.881 -4.160 -4.009 1.00 0.00 C ATOM 917 CG2 VAL A 53 70.900 -3.939 -1.740 1.00 0.00 C ATOM 0 H VAL A 53 69.514 -2.254 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 53 69.544 -3.646 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 53 70.396 -5.483 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 53 72.719 -4.726 -3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 53 71.699 -4.471 -5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 53 72.118 -3.096 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 53 71.730 -4.503 -1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 53 71.151 -2.878 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 53 70.007 -4.093 -1.134 1.00 0.00 H new ATOM 927 N TYR A 54 67.406 -4.503 -4.401 1.00 0.00 N ATOM 928 CA TYR A 54 66.121 -5.065 -4.283 1.00 0.00 C ATOM 929 C TYR A 54 66.224 -6.527 -4.378 1.00 0.00 C ATOM 930 O TYR A 54 66.619 -7.073 -5.408 1.00 0.00 O ATOM 931 CB TYR A 54 65.211 -4.524 -5.372 1.00 0.00 C ATOM 932 CG TYR A 54 64.981 -3.050 -5.250 1.00 0.00 C ATOM 933 CD1 TYR A 54 65.932 -2.132 -5.668 1.00 0.00 C ATOM 934 CD2 TYR A 54 63.825 -2.578 -4.686 1.00 0.00 C ATOM 935 CE1 TYR A 54 65.723 -0.788 -5.511 1.00 0.00 C ATOM 936 CE2 TYR A 54 63.603 -1.245 -4.538 1.00 0.00 C ATOM 937 CZ TYR A 54 64.561 -0.350 -4.951 1.00 0.00 C ATOM 938 OH TYR A 54 64.379 0.990 -4.769 1.00 0.00 O ATOM 0 H TYR A 54 67.702 -4.355 -5.366 1.00 0.00 H new ATOM 0 HA TYR A 54 65.693 -4.797 -3.317 1.00 0.00 H new ATOM 0 HB2 TYR A 54 65.648 -4.740 -6.347 1.00 0.00 H new ATOM 0 HB3 TYR A 54 64.253 -5.042 -5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 54 66.848 -2.481 -6.122 1.00 0.00 H new ATOM 0 HD2 TYR A 54 63.075 -3.279 -4.352 1.00 0.00 H new ATOM 0 HE1 TYR A 54 66.474 -0.080 -5.829 1.00 0.00 H new ATOM 0 HE2 TYR A 54 62.681 -0.892 -4.099 1.00 0.00 H new ATOM 0 HH TYR A 54 64.545 1.460 -5.613 1.00 0.00 H new ATOM 948 N ARG A 55 65.894 -7.168 -3.320 1.00 0.00 N ATOM 949 CA ARG A 55 65.939 -8.617 -3.332 1.00 0.00 C ATOM 950 C ARG A 55 64.571 -9.012 -3.801 1.00 0.00 C ATOM 951 O ARG A 55 63.583 -8.563 -3.175 1.00 0.00 O ATOM 952 CB ARG A 55 66.171 -9.233 -1.937 1.00 0.00 C ATOM 953 CG ARG A 55 67.203 -10.425 -1.892 1.00 0.00 C ATOM 954 CD ARG A 55 66.686 -11.669 -2.588 1.00 0.00 C ATOM 955 NE ARG A 55 67.635 -12.786 -2.497 1.00 0.00 N ATOM 956 CZ ARG A 55 67.292 -14.073 -2.304 1.00 0.00 C ATOM 957 NH1 ARG A 55 66.013 -14.417 -2.166 1.00 0.00 N ATOM 958 NH2 ARG A 55 68.229 -15.008 -2.236 1.00 0.00 N ATOM 0 H ARG A 55 65.593 -6.743 -2.443 1.00 0.00 H new ATOM 0 HA ARG A 55 66.762 -8.967 -3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 55 66.517 -8.448 -1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 55 65.215 -9.586 -1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 55 68.136 -10.111 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 55 67.433 -10.663 -0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 55 65.735 -11.964 -2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 55 66.492 -11.443 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 55 68.628 -12.570 -2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 55 65.286 -13.703 -2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 55 65.761 -15.394 -2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 55 69.212 -14.753 -2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 55 67.967 -15.983 -2.090 1.00 0.00 H new ATOM 972 N ASP A 56 64.482 -9.748 -4.907 1.00 0.00 N ATOM 973 CA ASP A 56 63.188 -10.166 -5.512 1.00 0.00 C ATOM 974 C ASP A 56 62.481 -8.982 -6.173 1.00 0.00 C ATOM 975 O ASP A 56 62.307 -8.954 -7.391 1.00 0.00 O ATOM 976 CB ASP A 56 62.268 -10.865 -4.498 1.00 0.00 C ATOM 977 CG ASP A 56 60.897 -11.177 -5.055 1.00 0.00 C ATOM 978 OD1 ASP A 56 60.788 -11.967 -6.011 1.00 0.00 O ATOM 979 OD2 ASP A 56 59.904 -10.625 -4.546 1.00 0.00 O ATOM 0 H ASP A 56 65.298 -10.080 -5.421 1.00 0.00 H new ATOM 0 HA ASP A 56 63.421 -10.898 -6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 56 62.739 -11.791 -4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 56 62.160 -10.231 -3.618 1.00 0.00 H new ATOM 984 N GLY A 57 62.095 -8.022 -5.367 1.00 0.00 N ATOM 985 CA GLY A 57 61.487 -6.816 -5.845 1.00 0.00 C ATOM 986 C GLY A 57 61.106 -5.906 -4.704 1.00 0.00 C ATOM 987 O GLY A 57 60.098 -5.215 -4.750 1.00 0.00 O ATOM 0 H GLY A 57 62.198 -8.062 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 57 62.176 -6.298 -6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 57 60.600 -7.060 -6.430 1.00 0.00 H new ATOM 991 N ASN A 58 61.917 -5.908 -3.660 1.00 0.00 N ATOM 992 CA ASN A 58 61.612 -5.125 -2.470 1.00 0.00 C ATOM 993 C ASN A 58 62.864 -4.394 -2.084 1.00 0.00 C ATOM 994 O ASN A 58 63.950 -4.928 -2.302 1.00 0.00 O ATOM 995 CB ASN A 58 61.252 -6.044 -1.321 1.00 0.00 C ATOM 996 CG ASN A 58 60.366 -7.213 -1.675 1.00 0.00 C ATOM 997 OD1 ASN A 58 59.145 -7.136 -1.600 1.00 0.00 O ATOM 998 ND2 ASN A 58 61.001 -8.318 -2.074 1.00 0.00 N ATOM 0 H ASN A 58 62.787 -6.439 -3.610 1.00 0.00 H new ATOM 0 HA ASN A 58 60.782 -4.449 -2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 58 62.174 -6.429 -0.884 1.00 0.00 H new ATOM 0 HB3 ASN A 58 60.755 -5.455 -0.550 1.00 0.00 H new ATOM 0 HD21 ASN A 58 60.467 -9.148 -2.333 1.00 0.00 H new ATOM 0 HD22 ASN A 58 62.020 -8.332 -2.120 1.00 0.00 H new ATOM 1005 N PRO A 59 62.769 -3.183 -1.524 1.00 0.00 N ATOM 1006 CA PRO A 59 63.939 -2.384 -1.217 1.00 0.00 C ATOM 1007 C PRO A 59 64.702 -2.703 0.095 1.00 0.00 C ATOM 1008 O PRO A 59 64.207 -2.685 1.350 1.00 0.00 O ATOM 1009 CB PRO A 59 63.445 -0.943 -1.270 1.00 0.00 C ATOM 1010 CG PRO A 59 61.958 -1.022 -1.546 1.00 0.00 C ATOM 1011 CD PRO A 59 61.544 -2.430 -1.233 1.00 0.00 C ATOM 0 HA PRO A 59 64.716 -2.613 -1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 59 63.641 -0.429 -0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 59 63.958 -0.383 -2.052 1.00 0.00 H new ATOM 0 HG2 PRO A 59 61.410 -0.310 -0.929 1.00 0.00 H new ATOM 0 HG3 PRO A 59 61.742 -0.776 -2.586 1.00 0.00 H new ATOM 0 HD2 PRO A 59 61.234 -2.542 -0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 59 60.708 -2.756 -1.852 1.00 0.00 H new ATOM 1019 N TYR A 60 65.921 -2.950 -0.121 1.00 0.00 N ATOM 1020 CA TYR A 60 66.691 -3.260 0.911 1.00 0.00 C ATOM 1021 C TYR A 60 67.960 -2.569 0.769 1.00 0.00 C ATOM 1022 O TYR A 60 68.404 -2.215 -0.329 1.00 0.00 O ATOM 1023 CB TYR A 60 66.881 -4.747 1.079 1.00 0.00 C ATOM 1024 CG TYR A 60 65.652 -5.591 0.967 1.00 0.00 C ATOM 1025 CD1 TYR A 60 64.733 -5.612 1.961 1.00 0.00 C ATOM 1026 CD2 TYR A 60 65.439 -6.378 -0.117 1.00 0.00 C ATOM 1027 CE1 TYR A 60 63.624 -6.416 1.894 1.00 0.00 C ATOM 1028 CE2 TYR A 60 64.325 -7.176 -0.202 1.00 0.00 C ATOM 1029 CZ TYR A 60 63.429 -7.187 0.824 1.00 0.00 C ATOM 1030 OH TYR A 60 62.337 -8.011 0.781 1.00 0.00 O ATOM 0 H TYR A 60 66.379 -2.933 -1.032 1.00 0.00 H new ATOM 0 HA TYR A 60 66.192 -2.932 1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 60 67.598 -5.086 0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 60 67.330 -4.926 2.056 1.00 0.00 H new ATOM 0 HD1 TYR A 60 64.876 -4.981 2.826 1.00 0.00 H new ATOM 0 HD2 TYR A 60 66.156 -6.377 -0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 60 62.911 -6.425 2.705 1.00 0.00 H new ATOM 0 HE2 TYR A 60 64.160 -7.790 -1.075 1.00 0.00 H new ATOM 0 HH TYR A 60 61.605 -7.612 1.296 1.00 0.00 H new ATOM 1040 N ALA A 61 68.481 -2.335 1.836 1.00 0.00 N ATOM 1041 CA ALA A 61 69.670 -1.721 1.987 1.00 0.00 C ATOM 1042 C ALA A 61 70.707 -2.806 2.175 1.00 0.00 C ATOM 1043 O ALA A 61 70.385 -4.004 2.176 1.00 0.00 O ATOM 1044 CB ALA A 61 69.554 -0.916 3.214 1.00 0.00 C ATOM 0 H ALA A 61 68.049 -2.591 2.724 1.00 0.00 H new ATOM 0 HA ALA A 61 69.947 -1.093 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.491 -0.390 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 61 68.747 -0.192 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 61 69.337 -1.570 4.059 1.00 0.00 H new ATOM 1050 N VAL A 62 71.886 -2.417 2.353 1.00 0.00 N ATOM 1051 CA VAL A 62 72.947 -3.312 2.600 1.00 0.00 C ATOM 1052 C VAL A 62 73.376 -3.075 4.036 1.00 0.00 C ATOM 1053 O VAL A 62 73.838 -1.981 4.383 1.00 0.00 O ATOM 1054 CB VAL A 62 74.072 -3.065 1.542 1.00 0.00 C ATOM 1055 CG1 VAL A 62 75.379 -3.665 1.907 1.00 0.00 C ATOM 1056 CG2 VAL A 62 73.624 -3.551 0.178 1.00 0.00 C ATOM 0 H VAL A 62 72.165 -1.436 2.333 1.00 0.00 H new ATOM 0 HA VAL A 62 72.671 -4.361 2.495 1.00 0.00 H new ATOM 0 HB VAL A 62 74.236 -1.988 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 62 76.108 -3.452 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 62 75.723 -3.241 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 62 75.267 -4.744 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 62 74.416 -3.373 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 62 73.407 -4.618 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 62 72.726 -3.011 -0.124 1.00 0.00 H new ATOM 1066 N CYS A 63 73.113 -4.077 4.893 1.00 0.00 N ATOM 1067 CA CYS A 63 73.381 -3.960 6.296 1.00 0.00 C ATOM 1068 C CYS A 63 74.880 -4.073 6.611 1.00 0.00 C ATOM 1069 O CYS A 63 75.691 -4.329 5.732 1.00 0.00 O ATOM 1070 CB CYS A 63 72.533 -4.976 7.112 1.00 0.00 C ATOM 1071 SG CYS A 63 73.034 -6.755 7.106 1.00 0.00 S ATOM 0 H CYS A 63 72.713 -4.973 4.615 1.00 0.00 H new ATOM 0 HA CYS A 63 73.080 -2.959 6.604 1.00 0.00 H new ATOM 0 HB2 CYS A 63 72.521 -4.639 8.149 1.00 0.00 H new ATOM 0 HB3 CYS A 63 71.508 -4.920 6.747 1.00 0.00 H new ATOM 0 HG CYS A 63 72.318 -7.404 6.237 1.00 0.00 H new ATOM 1076 N ASP A 64 75.209 -3.927 7.883 1.00 0.00 N ATOM 1077 CA ASP A 64 76.606 -3.964 8.394 1.00 0.00 C ATOM 1078 C ASP A 64 77.322 -5.226 7.940 1.00 0.00 C ATOM 1079 O ASP A 64 78.507 -5.205 7.562 1.00 0.00 O ATOM 1080 CB ASP A 64 76.579 -3.939 9.923 1.00 0.00 C ATOM 1081 CG ASP A 64 77.963 -3.956 10.558 1.00 0.00 C ATOM 1082 OD1 ASP A 64 78.536 -2.874 10.804 1.00 0.00 O ATOM 1083 OD2 ASP A 64 78.483 -5.043 10.866 1.00 0.00 O ATOM 0 H ASP A 64 74.517 -3.776 8.617 1.00 0.00 H new ATOM 0 HA ASP A 64 77.139 -3.098 8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 64 76.048 -3.047 10.254 1.00 0.00 H new ATOM 0 HB3 ASP A 64 76.013 -4.799 10.282 1.00 0.00 H new ATOM 1088 N LYS A 65 76.570 -6.294 7.941 1.00 0.00 N ATOM 1089 CA LYS A 65 77.042 -7.606 7.585 1.00 0.00 C ATOM 1090 C LYS A 65 77.433 -7.685 6.107 1.00 0.00 C ATOM 1091 O LYS A 65 78.533 -8.130 5.783 1.00 0.00 O ATOM 1092 CB LYS A 65 75.974 -8.632 7.961 1.00 0.00 C ATOM 1093 CG LYS A 65 75.725 -8.668 9.456 1.00 0.00 C ATOM 1094 CD LYS A 65 74.554 -9.547 9.843 1.00 0.00 C ATOM 1095 CE LYS A 65 74.727 -11.012 9.461 1.00 0.00 C ATOM 1096 NZ LYS A 65 73.655 -11.850 10.059 1.00 0.00 N ATOM 0 H LYS A 65 75.583 -6.275 8.197 1.00 0.00 H new ATOM 0 HA LYS A 65 77.952 -7.829 8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 65 75.044 -8.394 7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 65 76.284 -9.620 7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 65 76.623 -9.027 9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 65 75.544 -7.654 9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 65 74.402 -9.478 10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 65 73.651 -9.162 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 65 74.709 -11.113 8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 65 75.701 -11.367 9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 73.407 -12.617 9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 73.991 -12.257 10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 72.815 -11.263 10.239 1.00 0.00 H new