USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=17 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 34 LYS NZ :NH3+ 147:sc= 1.52 (180deg=-1.7!) USER MOD Set 1.2: A 58 ASN : amide:sc= 0.469 K(o=2.3,f=1.8) USER MOD Set 1.3: A 60 TYR OH : rot 60:sc= 0.299 USER MOD Set 2.1: A 30 CYS SG : rot -162:sc= 2.29 USER MOD Set 2.2: A 33 CYS SG : rot 135:sc= 0.859 USER MOD Set 2.3: A 63 CYS SG : rot 3:sc= -0.165 USER MOD Set 3.1: A 24 HIS : no HD1:sc= -0.822 K(o=-0.3,f=-7.2!) USER MOD Set 3.2: A 43 TYR OH : rot -2:sc= 0.524 USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= 1.24 (180deg=0.343) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 16 CYS SG : rot 61:sc= 0.759 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.121 F(o=-2.8!,f=-0.12) USER MOD Single : A 21 THR OG1 : rot 167:sc= -0.238 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 30:sc= -0.0586 USER MOD Single : A 35 GLN :FLIP amide:sc=-0.00377 F(o=-0.99,f=-0.0038) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 CYS SG : rot 12:sc= 0.287 USER MOD Single : A 54 TYR OH : rot 28:sc= -0.108 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 156 N PRO A 9 63.918 3.168 -6.768 1.00 0.00 N ATOM 157 CA PRO A 9 65.204 3.739 -7.170 1.00 0.00 C ATOM 158 C PRO A 9 66.343 2.808 -6.860 1.00 0.00 C ATOM 159 O PRO A 9 66.159 1.622 -6.679 1.00 0.00 O ATOM 160 CB PRO A 9 65.340 4.956 -6.273 1.00 0.00 C ATOM 161 CG PRO A 9 64.555 4.646 -5.072 1.00 0.00 C ATOM 162 CD PRO A 9 63.523 3.605 -5.426 1.00 0.00 C ATOM 0 HA PRO A 9 65.236 3.946 -8.240 1.00 0.00 H new ATOM 0 HB2 PRO A 9 66.384 5.144 -6.022 1.00 0.00 H new ATOM 0 HB3 PRO A 9 64.964 5.852 -6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 9 65.206 4.278 -4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 9 64.070 5.546 -4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 9 63.530 2.777 -4.717 1.00 0.00 H new ATOM 0 HD3 PRO A 9 62.516 4.021 -5.421 1.00 0.00 H new ATOM 170 N ARG A 10 67.529 3.335 -6.829 1.00 0.00 N ATOM 171 CA ARG A 10 68.629 2.582 -6.403 1.00 0.00 C ATOM 172 C ARG A 10 69.298 3.309 -5.310 1.00 0.00 C ATOM 173 O ARG A 10 70.316 2.888 -4.822 1.00 0.00 O ATOM 174 CB ARG A 10 69.587 2.367 -7.528 1.00 0.00 C ATOM 175 CG ARG A 10 69.023 1.575 -8.669 1.00 0.00 C ATOM 176 CD ARG A 10 68.588 0.173 -8.270 1.00 0.00 C ATOM 177 NE ARG A 10 67.947 -0.502 -9.397 1.00 0.00 N ATOM 178 CZ ARG A 10 67.348 -1.693 -9.363 1.00 0.00 C ATOM 179 NH1 ARG A 10 67.386 -2.434 -8.275 1.00 0.00 N ATOM 180 NH2 ARG A 10 66.720 -2.145 -10.427 1.00 0.00 N ATOM 0 H ARG A 10 67.743 4.295 -7.100 1.00 0.00 H new ATOM 0 HA ARG A 10 68.289 1.606 -6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 10 69.917 3.337 -7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 10 70.470 1.855 -7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 10 68.169 2.108 -9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 10 69.771 1.505 -9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 10 69.452 -0.402 -7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 10 67.897 0.225 -7.429 1.00 0.00 H new ATOM 0 HE ARG A 10 67.959 -0.016 -10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 10 67.877 -2.099 -7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 10 66.924 -3.343 -8.261 1.00 0.00 H new ATOM 0 HH21 ARG A 10 66.691 -1.584 -11.279 1.00 0.00 H new ATOM 0 HH22 ARG A 10 66.262 -3.056 -10.400 1.00 0.00 H new ATOM 194 N LYS A 11 68.733 4.421 -4.913 1.00 0.00 N ATOM 195 CA LYS A 11 69.346 5.191 -3.910 1.00 0.00 C ATOM 196 C LYS A 11 68.392 5.384 -2.773 1.00 0.00 C ATOM 197 O LYS A 11 67.194 5.622 -2.980 1.00 0.00 O ATOM 198 CB LYS A 11 69.785 6.520 -4.475 1.00 0.00 C ATOM 199 CG LYS A 11 70.607 6.417 -5.755 1.00 0.00 C ATOM 200 CD LYS A 11 71.938 5.743 -5.522 1.00 0.00 C ATOM 201 CE LYS A 11 72.948 6.583 -4.728 1.00 0.00 C ATOM 202 NZ LYS A 11 73.429 7.779 -5.468 1.00 0.00 N ATOM 0 H LYS A 11 67.857 4.795 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 11 70.229 4.670 -3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 11 68.902 7.127 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 11 70.372 7.046 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 11 70.044 5.858 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 11 70.773 7.415 -6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.768 4.806 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 11 72.376 5.489 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 11 72.488 6.903 -3.793 1.00 0.00 H new ATOM 0 HE3 LYS A 11 73.802 5.959 -4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 74.357 8.067 -5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 73.516 7.550 -6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 72.751 8.558 -5.346 1.00 0.00 H new ATOM 216 N LEU A 12 68.929 5.293 -1.600 1.00 0.00 N ATOM 217 CA LEU A 12 68.216 5.398 -0.357 1.00 0.00 C ATOM 218 C LEU A 12 67.348 6.680 -0.207 1.00 0.00 C ATOM 219 O LEU A 12 66.153 6.566 0.089 1.00 0.00 O ATOM 220 CB LEU A 12 69.202 5.243 0.795 1.00 0.00 C ATOM 221 CG LEU A 12 68.654 5.472 2.177 1.00 0.00 C ATOM 222 CD1 LEU A 12 67.559 4.497 2.483 1.00 0.00 C ATOM 223 CD2 LEU A 12 69.728 5.323 3.183 1.00 0.00 C ATOM 0 H LEU A 12 69.928 5.135 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 12 67.486 4.588 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 12 69.619 4.237 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 12 70.027 5.937 0.635 1.00 0.00 H new ATOM 0 HG LEU A 12 68.252 6.484 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 12 67.178 4.681 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 12 66.752 4.618 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 12 67.949 3.481 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 12 69.319 5.491 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 12 70.143 4.317 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 12 70.515 6.051 2.986 1.00 0.00 H new ATOM 235 N PRO A 13 67.889 7.910 -0.435 1.00 0.00 N ATOM 236 CA PRO A 13 67.108 9.146 -0.239 1.00 0.00 C ATOM 237 C PRO A 13 65.937 9.245 -1.227 1.00 0.00 C ATOM 238 O PRO A 13 64.856 9.739 -0.888 1.00 0.00 O ATOM 239 CB PRO A 13 68.147 10.250 -0.463 1.00 0.00 C ATOM 240 CG PRO A 13 69.149 9.637 -1.369 1.00 0.00 C ATOM 241 CD PRO A 13 69.267 8.221 -0.915 1.00 0.00 C ATOM 0 HA PRO A 13 66.635 9.202 0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 13 67.696 11.135 -0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 13 68.601 10.565 0.477 1.00 0.00 H new ATOM 0 HG2 PRO A 13 68.827 9.692 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 13 70.107 10.153 -1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 13 69.571 7.560 -1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 13 70.006 8.111 -0.121 1.00 0.00 H new ATOM 249 N GLN A 14 66.156 8.743 -2.420 1.00 0.00 N ATOM 250 CA GLN A 14 65.137 8.701 -3.446 1.00 0.00 C ATOM 251 C GLN A 14 64.082 7.646 -3.124 1.00 0.00 C ATOM 252 O GLN A 14 62.926 7.794 -3.478 1.00 0.00 O ATOM 253 CB GLN A 14 65.747 8.424 -4.806 1.00 0.00 C ATOM 254 CG GLN A 14 66.563 9.562 -5.384 1.00 0.00 C ATOM 255 CD GLN A 14 67.166 9.185 -6.710 1.00 0.00 C ATOM 256 OE1 GLN A 14 68.353 8.681 -6.675 1.00 0.00 O flip ATOM 257 NE2 GLN A 14 66.561 9.377 -7.774 1.00 0.00 N flip ATOM 0 H GLN A 14 67.052 8.349 -2.709 1.00 0.00 H new ATOM 0 HA GLN A 14 64.656 9.679 -3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 14 66.383 7.542 -4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 14 64.946 8.180 -5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 14 65.930 10.440 -5.507 1.00 0.00 H new ATOM 0 HG3 GLN A 14 67.355 9.835 -4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 14 65.623 9.778 -7.762 1.00 0.00 H new ATOM 0 HE22 GLN A 14 67.001 9.134 -8.662 1.00 0.00 H new ATOM 266 N LEU A 15 64.484 6.571 -2.470 1.00 0.00 N ATOM 267 CA LEU A 15 63.556 5.557 -2.063 1.00 0.00 C ATOM 268 C LEU A 15 62.655 6.075 -0.993 1.00 0.00 C ATOM 269 O LEU A 15 61.475 5.773 -0.966 1.00 0.00 O ATOM 270 CB LEU A 15 64.299 4.377 -1.548 1.00 0.00 C ATOM 271 CG LEU A 15 63.450 3.264 -1.011 1.00 0.00 C ATOM 272 CD1 LEU A 15 62.536 2.689 -2.084 1.00 0.00 C ATOM 273 CD2 LEU A 15 64.333 2.224 -0.477 1.00 0.00 C ATOM 0 H LEU A 15 65.454 6.387 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 15 62.955 5.269 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 15 64.920 3.982 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 15 64.973 4.710 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 15 62.808 3.654 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 15 61.936 1.885 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 15 61.878 3.473 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 15 63.139 2.297 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 15 63.733 1.405 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 15 64.977 1.850 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 15 64.947 2.642 0.321 1.00 0.00 H new ATOM 285 N CYS A 16 63.216 6.860 -0.124 1.00 0.00 N ATOM 286 CA CYS A 16 62.468 7.472 0.958 1.00 0.00 C ATOM 287 C CYS A 16 61.286 8.293 0.391 1.00 0.00 C ATOM 288 O CYS A 16 60.221 8.346 0.977 1.00 0.00 O ATOM 289 CB CYS A 16 63.396 8.342 1.800 1.00 0.00 C ATOM 290 SG CYS A 16 64.752 7.438 2.580 1.00 0.00 S ATOM 0 H CYS A 16 64.207 7.101 -0.136 1.00 0.00 H new ATOM 0 HA CYS A 16 62.056 6.694 1.600 1.00 0.00 H new ATOM 0 HB2 CYS A 16 63.813 9.126 1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 16 62.809 8.835 2.575 1.00 0.00 H new ATOM 0 HG CYS A 16 65.492 6.890 1.663 1.00 0.00 H new ATOM 296 N THR A 17 61.504 8.862 -0.776 1.00 0.00 N ATOM 297 CA THR A 17 60.499 9.581 -1.549 1.00 0.00 C ATOM 298 C THR A 17 59.301 8.681 -1.889 1.00 0.00 C ATOM 299 O THR A 17 58.141 9.097 -1.837 1.00 0.00 O ATOM 300 CB THR A 17 61.167 10.078 -2.829 1.00 0.00 C ATOM 301 OG1 THR A 17 62.067 11.132 -2.519 1.00 0.00 O ATOM 302 CG2 THR A 17 60.190 10.456 -3.940 1.00 0.00 C ATOM 0 H THR A 17 62.416 8.839 -1.233 1.00 0.00 H new ATOM 0 HA THR A 17 60.114 10.416 -0.963 1.00 0.00 H new ATOM 0 HB THR A 17 61.727 9.240 -3.244 1.00 0.00 H new ATOM 0 HG1 THR A 17 62.496 11.448 -3.341 1.00 0.00 H new ATOM 0 HG21 THR A 17 60.746 10.798 -4.813 1.00 0.00 H new ATOM 0 HG22 THR A 17 59.591 9.586 -4.210 1.00 0.00 H new ATOM 0 HG23 THR A 17 59.534 11.254 -3.592 1.00 0.00 H new ATOM 310 N GLU A 18 59.597 7.464 -2.213 1.00 0.00 N ATOM 311 CA GLU A 18 58.620 6.476 -2.546 1.00 0.00 C ATOM 312 C GLU A 18 57.806 6.083 -1.339 1.00 0.00 C ATOM 313 O GLU A 18 56.581 6.010 -1.390 1.00 0.00 O ATOM 314 CB GLU A 18 59.336 5.331 -3.130 1.00 0.00 C ATOM 315 CG GLU A 18 59.783 5.615 -4.535 1.00 0.00 C ATOM 316 CD GLU A 18 58.621 5.736 -5.484 1.00 0.00 C ATOM 317 OE1 GLU A 18 58.081 4.698 -5.924 1.00 0.00 O ATOM 318 OE2 GLU A 18 58.213 6.864 -5.798 1.00 0.00 O ATOM 0 H GLU A 18 60.556 7.118 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 18 57.905 6.870 -3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 18 60.202 5.091 -2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 18 58.688 4.455 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 18 60.362 6.538 -4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 18 60.445 4.818 -4.873 1.00 0.00 H new ATOM 325 N LEU A 19 58.494 5.839 -0.251 1.00 0.00 N ATOM 326 CA LEU A 19 57.874 5.596 1.024 1.00 0.00 C ATOM 327 C LEU A 19 57.237 6.855 1.607 1.00 0.00 C ATOM 328 O LEU A 19 56.564 6.786 2.642 1.00 0.00 O ATOM 329 CB LEU A 19 58.884 5.033 2.000 1.00 0.00 C ATOM 330 CG LEU A 19 59.339 3.601 1.795 1.00 0.00 C ATOM 331 CD1 LEU A 19 60.467 3.500 0.810 1.00 0.00 C ATOM 332 CD2 LEU A 19 59.729 3.009 3.091 1.00 0.00 C ATOM 0 H LEU A 19 59.513 5.804 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 19 57.078 4.870 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 19 59.767 5.672 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 19 58.462 5.111 3.002 1.00 0.00 H new ATOM 0 HG LEU A 19 58.501 3.043 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 19 60.758 2.456 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 19 60.145 3.894 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 19 61.318 4.077 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 19 60.055 1.980 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 19 60.545 3.587 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 19 58.875 3.022 3.769 1.00 0.00 H new ATOM 344 N GLN A 20 57.485 8.000 0.957 1.00 0.00 N ATOM 345 CA GLN A 20 56.919 9.289 1.336 1.00 0.00 C ATOM 346 C GLN A 20 57.347 9.661 2.757 1.00 0.00 C ATOM 347 O GLN A 20 56.633 10.346 3.491 1.00 0.00 O ATOM 348 CB GLN A 20 55.397 9.219 1.195 1.00 0.00 C ATOM 349 CG GLN A 20 54.902 9.023 -0.248 1.00 0.00 C ATOM 350 CD GLN A 20 54.925 10.275 -1.148 1.00 0.00 C ATOM 351 OE1 GLN A 20 55.795 11.226 -0.886 1.00 0.00 O flip ATOM 352 NE2 GLN A 20 54.117 10.383 -2.081 1.00 0.00 N flip ATOM 0 H GLN A 20 58.095 8.051 0.141 1.00 0.00 H new ATOM 0 HA GLN A 20 57.292 10.073 0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 20 55.025 8.399 1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 20 54.965 10.137 1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 20 55.511 8.251 -0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 20 53.880 8.645 -0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 20 53.450 9.634 -2.268 1.00 0.00 H new ATOM 0 HE22 GLN A 20 54.118 11.221 -2.663 1.00 0.00 H new ATOM 361 N THR A 21 58.532 9.249 3.102 1.00 0.00 N ATOM 362 CA THR A 21 59.071 9.441 4.413 1.00 0.00 C ATOM 363 C THR A 21 60.569 9.767 4.255 1.00 0.00 C ATOM 364 O THR A 21 61.015 10.069 3.153 1.00 0.00 O ATOM 365 CB THR A 21 58.852 8.143 5.268 1.00 0.00 C ATOM 366 OG1 THR A 21 59.091 8.402 6.658 1.00 0.00 O ATOM 367 CG2 THR A 21 59.765 7.003 4.805 1.00 0.00 C ATOM 0 H THR A 21 59.162 8.760 2.466 1.00 0.00 H new ATOM 0 HA THR A 21 58.573 10.260 4.931 1.00 0.00 H new ATOM 0 HB THR A 21 57.814 7.840 5.127 1.00 0.00 H new ATOM 0 HG1 THR A 21 58.756 7.652 7.193 1.00 0.00 H new ATOM 0 HG21 THR A 21 59.586 6.121 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 21 59.553 6.768 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 21 60.807 7.308 4.904 1.00 0.00 H new ATOM 375 N THR A 22 61.331 9.728 5.320 1.00 0.00 N ATOM 376 CA THR A 22 62.738 9.993 5.204 1.00 0.00 C ATOM 377 C THR A 22 63.545 8.791 5.728 1.00 0.00 C ATOM 378 O THR A 22 62.960 7.821 6.237 1.00 0.00 O ATOM 379 CB THR A 22 63.115 11.243 5.997 1.00 0.00 C ATOM 380 OG1 THR A 22 61.936 12.068 6.176 1.00 0.00 O ATOM 381 CG2 THR A 22 64.145 12.041 5.209 1.00 0.00 C ATOM 0 H THR A 22 61.004 9.518 6.263 1.00 0.00 H new ATOM 0 HA THR A 22 62.971 10.157 4.152 1.00 0.00 H new ATOM 0 HB THR A 22 63.522 10.952 6.965 1.00 0.00 H new ATOM 0 HG1 THR A 22 62.173 12.871 6.686 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.419 12.935 5.769 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.032 11.429 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 22 63.722 12.331 4.247 1.00 0.00 H new ATOM 389 N ILE A 23 64.886 8.882 5.648 1.00 0.00 N ATOM 390 CA ILE A 23 65.807 7.835 6.087 1.00 0.00 C ATOM 391 C ILE A 23 65.608 7.523 7.555 1.00 0.00 C ATOM 392 O ILE A 23 65.828 6.425 8.041 1.00 0.00 O ATOM 393 CB ILE A 23 67.251 8.299 5.963 1.00 0.00 C ATOM 394 CG1 ILE A 23 67.487 8.889 4.601 1.00 0.00 C ATOM 395 CG2 ILE A 23 68.191 7.121 6.205 1.00 0.00 C ATOM 396 CD1 ILE A 23 68.933 9.094 4.265 1.00 0.00 C ATOM 0 H ILE A 23 65.360 9.702 5.269 1.00 0.00 H new ATOM 0 HA ILE A 23 65.607 6.966 5.460 1.00 0.00 H new ATOM 0 HB ILE A 23 67.449 9.067 6.711 1.00 0.00 H new ATOM 0 HG12 ILE A 23 67.040 8.236 3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 23 66.971 9.847 4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 23 69.224 7.456 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 23 68.024 6.722 7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 23 67.997 6.343 5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 23 69.017 9.523 3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 23 69.382 9.772 4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 23 69.453 8.136 4.294 1.00 0.00 H new ATOM 408 N HIS A 24 65.136 8.513 8.211 1.00 0.00 N ATOM 409 CA HIS A 24 65.011 8.601 9.625 1.00 0.00 C ATOM 410 C HIS A 24 63.848 7.749 10.100 1.00 0.00 C ATOM 411 O HIS A 24 63.674 7.533 11.300 1.00 0.00 O ATOM 412 CB HIS A 24 64.750 10.090 9.970 1.00 0.00 C ATOM 413 CG HIS A 24 65.572 11.065 9.145 1.00 0.00 C ATOM 414 ND1 HIS A 24 66.746 10.715 8.528 1.00 0.00 N ATOM 415 CD2 HIS A 24 65.248 12.257 8.668 1.00 0.00 C ATOM 416 CE1 HIS A 24 67.076 11.664 7.666 1.00 0.00 C ATOM 417 NE2 HIS A 24 66.197 12.648 7.717 1.00 0.00 N ATOM 0 H HIS A 24 64.798 9.353 7.741 1.00 0.00 H new ATOM 0 HA HIS A 24 65.916 8.241 10.115 1.00 0.00 H new ATOM 0 HB2 HIS A 24 63.692 10.307 9.823 1.00 0.00 H new ATOM 0 HB3 HIS A 24 64.965 10.251 11.026 1.00 0.00 H new ATOM 0 HD2 HIS A 24 64.387 12.836 8.966 1.00 0.00 H new ATOM 0 HE1 HIS A 24 67.938 11.637 7.016 1.00 0.00 H new ATOM 0 HE2 HIS A 24 66.208 13.513 7.176 1.00 0.00 H new ATOM 425 N ASP A 25 63.068 7.266 9.150 1.00 0.00 N ATOM 426 CA ASP A 25 61.869 6.496 9.441 1.00 0.00 C ATOM 427 C ASP A 25 61.795 5.202 8.614 1.00 0.00 C ATOM 428 O ASP A 25 61.311 4.178 9.103 1.00 0.00 O ATOM 429 CB ASP A 25 60.653 7.349 9.137 1.00 0.00 C ATOM 430 CG ASP A 25 59.347 6.656 9.487 1.00 0.00 C ATOM 431 OD1 ASP A 25 59.037 6.512 10.690 1.00 0.00 O ATOM 432 OD2 ASP A 25 58.610 6.242 8.558 1.00 0.00 O ATOM 0 H ASP A 25 63.247 7.396 8.154 1.00 0.00 H new ATOM 0 HA ASP A 25 61.898 6.215 10.494 1.00 0.00 H new ATOM 0 HB2 ASP A 25 60.723 8.285 9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 25 60.650 7.606 8.078 1.00 0.00 H new ATOM 437 N ILE A 26 62.281 5.272 7.376 1.00 0.00 N ATOM 438 CA ILE A 26 62.246 4.163 6.395 1.00 0.00 C ATOM 439 C ILE A 26 62.687 2.800 6.942 1.00 0.00 C ATOM 440 O ILE A 26 63.697 2.679 7.656 1.00 0.00 O ATOM 441 CB ILE A 26 63.102 4.501 5.135 1.00 0.00 C ATOM 442 CG1 ILE A 26 63.126 3.330 4.150 1.00 0.00 C ATOM 443 CG2 ILE A 26 64.521 4.835 5.541 1.00 0.00 C ATOM 444 CD1 ILE A 26 63.773 3.638 2.832 1.00 0.00 C ATOM 0 H ILE A 26 62.722 6.115 7.009 1.00 0.00 H new ATOM 0 HA ILE A 26 61.192 4.069 6.136 1.00 0.00 H new ATOM 0 HB ILE A 26 62.644 5.361 4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 26 63.652 2.494 4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 26 62.102 3.002 3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 26 65.108 5.069 4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 26 64.515 5.696 6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 26 64.963 3.981 6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 26 63.745 2.752 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 26 63.235 4.451 2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 26 64.809 3.935 2.996 1.00 0.00 H new ATOM 456 N ILE A 27 61.900 1.795 6.634 1.00 0.00 N ATOM 457 CA ILE A 27 62.256 0.469 6.923 1.00 0.00 C ATOM 458 C ILE A 27 62.851 -0.152 5.721 1.00 0.00 C ATOM 459 O ILE A 27 62.199 -0.315 4.681 1.00 0.00 O ATOM 460 CB ILE A 27 61.097 -0.361 7.481 1.00 0.00 C ATOM 461 CG1 ILE A 27 60.584 0.246 8.788 1.00 0.00 C ATOM 462 CG2 ILE A 27 61.506 -1.815 7.670 1.00 0.00 C ATOM 463 CD1 ILE A 27 61.608 0.311 9.912 1.00 0.00 C ATOM 0 H ILE A 27 60.995 1.899 6.174 1.00 0.00 H new ATOM 0 HA ILE A 27 62.998 0.490 7.721 1.00 0.00 H new ATOM 0 HB ILE A 27 60.283 -0.342 6.757 1.00 0.00 H new ATOM 0 HG12 ILE A 27 60.224 1.255 8.586 1.00 0.00 H new ATOM 0 HG13 ILE A 27 59.728 -0.336 9.130 1.00 0.00 H new ATOM 0 HG21 ILE A 27 60.664 -2.381 8.067 1.00 0.00 H new ATOM 0 HG22 ILE A 27 61.806 -2.236 6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 27 62.342 -1.870 8.368 1.00 0.00 H new ATOM 0 HD11 ILE A 27 61.151 0.756 10.796 1.00 0.00 H new ATOM 0 HD12 ILE A 27 61.952 -0.696 10.149 1.00 0.00 H new ATOM 0 HD13 ILE A 27 62.456 0.919 9.597 1.00 0.00 H new ATOM 475 N LEU A 28 64.092 -0.458 5.865 1.00 0.00 N ATOM 476 CA LEU A 28 64.851 -1.045 4.860 1.00 0.00 C ATOM 477 C LEU A 28 65.495 -2.228 5.428 1.00 0.00 C ATOM 478 O LEU A 28 66.058 -2.132 6.549 1.00 0.00 O ATOM 479 CB LEU A 28 65.913 -0.081 4.436 1.00 0.00 C ATOM 480 CG LEU A 28 66.010 0.047 2.963 1.00 0.00 C ATOM 481 CD1 LEU A 28 64.624 0.346 2.455 1.00 0.00 C ATOM 482 CD2 LEU A 28 66.954 1.150 2.603 1.00 0.00 C ATOM 0 H LEU A 28 64.611 -0.293 6.727 1.00 0.00 H new ATOM 0 HA LEU A 28 64.228 -1.311 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 28 65.705 0.897 4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 28 66.874 -0.407 4.833 1.00 0.00 H new ATOM 0 HG LEU A 28 66.393 -0.870 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 28 64.648 0.449 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 28 63.953 -0.469 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 28 64.266 1.275 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 28 67.018 1.235 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 28 66.592 2.090 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 28 67.942 0.930 3.008 1.00 0.00 H new ATOM 494 N GLU A 29 65.456 -3.356 4.772 1.00 0.00 N ATOM 495 CA GLU A 29 66.173 -4.451 5.466 1.00 0.00 C ATOM 496 C GLU A 29 67.338 -4.951 4.735 1.00 0.00 C ATOM 497 O GLU A 29 67.728 -4.335 3.810 1.00 0.00 O ATOM 498 CB GLU A 29 65.332 -5.557 5.986 1.00 0.00 C ATOM 499 CG GLU A 29 64.412 -6.171 5.077 1.00 0.00 C ATOM 500 CD GLU A 29 63.663 -7.335 5.658 1.00 0.00 C ATOM 501 OE1 GLU A 29 63.077 -7.204 6.744 1.00 0.00 O ATOM 502 OE2 GLU A 29 63.660 -8.422 5.034 1.00 0.00 O ATOM 0 H GLU A 29 65.008 -3.555 3.878 1.00 0.00 H new ATOM 0 HA GLU A 29 66.542 -3.947 6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 29 65.995 -6.333 6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 29 64.763 -5.177 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 29 63.695 -5.422 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 29 64.958 -6.507 4.196 1.00 0.00 H new ATOM 509 N CYS A 30 68.021 -5.966 5.241 1.00 0.00 N ATOM 510 CA CYS A 30 68.975 -6.580 4.437 1.00 0.00 C ATOM 511 C CYS A 30 68.284 -7.422 3.433 1.00 0.00 C ATOM 512 O CYS A 30 67.439 -8.270 3.755 1.00 0.00 O ATOM 513 CB CYS A 30 69.979 -7.457 5.166 1.00 0.00 C ATOM 514 SG CYS A 30 71.385 -7.880 4.052 1.00 0.00 S ATOM 0 H CYS A 30 67.913 -6.348 6.181 1.00 0.00 H new ATOM 0 HA CYS A 30 69.546 -5.763 3.996 1.00 0.00 H new ATOM 0 HB2 CYS A 30 70.350 -6.939 6.051 1.00 0.00 H new ATOM 0 HB3 CYS A 30 69.492 -8.369 5.511 1.00 0.00 H new ATOM 0 HG CYS A 30 72.027 -8.903 4.533 1.00 0.00 H new ATOM 519 N VAL A 31 68.644 -7.174 2.260 1.00 0.00 N ATOM 520 CA VAL A 31 68.268 -7.930 1.115 1.00 0.00 C ATOM 521 C VAL A 31 68.730 -9.392 1.305 1.00 0.00 C ATOM 522 O VAL A 31 67.980 -10.327 1.104 1.00 0.00 O ATOM 523 CB VAL A 31 68.946 -7.251 -0.132 1.00 0.00 C ATOM 524 CG1 VAL A 31 70.327 -6.877 0.175 1.00 0.00 C ATOM 525 CG2 VAL A 31 68.956 -8.092 -1.361 1.00 0.00 C ATOM 0 H VAL A 31 69.252 -6.387 2.032 1.00 0.00 H new ATOM 0 HA VAL A 31 67.188 -7.948 0.968 1.00 0.00 H new ATOM 0 HB VAL A 31 68.332 -6.375 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 31 70.780 -6.409 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 31 70.337 -6.175 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 31 70.894 -7.768 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 31 69.441 -7.547 -2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 31 69.502 -9.015 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 31 67.932 -8.330 -1.647 1.00 0.00 H new ATOM 535 N TYR A 32 69.903 -9.543 1.832 1.00 0.00 N ATOM 536 CA TYR A 32 70.552 -10.819 1.909 1.00 0.00 C ATOM 537 C TYR A 32 70.289 -11.533 3.235 1.00 0.00 C ATOM 538 O TYR A 32 70.124 -12.754 3.258 1.00 0.00 O ATOM 539 CB TYR A 32 72.060 -10.638 1.709 1.00 0.00 C ATOM 540 CG TYR A 32 72.376 -9.795 0.502 1.00 0.00 C ATOM 541 CD1 TYR A 32 71.797 -10.089 -0.723 1.00 0.00 C ATOM 542 CD2 TYR A 32 73.230 -8.686 0.594 1.00 0.00 C ATOM 543 CE1 TYR A 32 72.046 -9.336 -1.822 1.00 0.00 C ATOM 544 CE2 TYR A 32 73.499 -7.893 -0.512 1.00 0.00 C ATOM 545 CZ TYR A 32 72.899 -8.224 -1.731 1.00 0.00 C ATOM 546 OH TYR A 32 73.160 -7.467 -2.845 1.00 0.00 O ATOM 0 H TYR A 32 70.447 -8.776 2.227 1.00 0.00 H new ATOM 0 HA TYR A 32 70.136 -11.445 1.119 1.00 0.00 H new ATOM 0 HB2 TYR A 32 72.490 -10.174 2.597 1.00 0.00 H new ATOM 0 HB3 TYR A 32 72.530 -11.615 1.601 1.00 0.00 H new ATOM 0 HD1 TYR A 32 71.133 -10.937 -0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 32 73.686 -8.445 1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 32 71.589 -9.591 -2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 32 74.157 -7.040 -0.433 1.00 0.00 H new ATOM 0 HH TYR A 32 72.388 -7.494 -3.447 1.00 0.00 H new ATOM 556 N CYS A 33 70.229 -10.782 4.336 1.00 0.00 N ATOM 557 CA CYS A 33 70.133 -11.402 5.652 1.00 0.00 C ATOM 558 C CYS A 33 68.769 -11.252 6.286 1.00 0.00 C ATOM 559 O CYS A 33 68.491 -11.917 7.292 1.00 0.00 O ATOM 560 CB CYS A 33 71.158 -10.804 6.598 1.00 0.00 C ATOM 561 SG CYS A 33 72.833 -10.762 5.936 1.00 0.00 S ATOM 0 H CYS A 33 70.245 -9.762 4.341 1.00 0.00 H new ATOM 0 HA CYS A 33 70.319 -12.464 5.490 1.00 0.00 H new ATOM 0 HB2 CYS A 33 70.854 -9.789 6.852 1.00 0.00 H new ATOM 0 HB3 CYS A 33 71.159 -11.378 7.525 1.00 0.00 H new ATOM 0 HG CYS A 33 73.364 -9.599 6.172 1.00 0.00 H new ATOM 566 N LYS A 34 67.932 -10.376 5.730 1.00 0.00 N ATOM 567 CA LYS A 34 66.643 -10.064 6.308 1.00 0.00 C ATOM 568 C LYS A 34 66.776 -9.430 7.681 1.00 0.00 C ATOM 569 O LYS A 34 65.857 -9.449 8.508 1.00 0.00 O ATOM 570 CB LYS A 34 65.745 -11.283 6.283 1.00 0.00 C ATOM 571 CG LYS A 34 64.911 -11.376 5.030 1.00 0.00 C ATOM 572 CD LYS A 34 65.667 -11.125 3.739 1.00 0.00 C ATOM 573 CE LYS A 34 64.690 -11.007 2.587 1.00 0.00 C ATOM 574 NZ LYS A 34 63.582 -10.060 2.918 1.00 0.00 N ATOM 0 H LYS A 34 68.136 -9.869 4.869 1.00 0.00 H new ATOM 0 HA LYS A 34 66.158 -9.305 5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 34 66.357 -12.180 6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 34 65.086 -11.259 7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 34 64.461 -12.368 4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 34 64.094 -10.658 5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 34 66.256 -10.212 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 34 66.367 -11.940 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 34 65.214 -10.662 1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 34 64.277 -11.988 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 63.276 -9.568 2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 62.780 -10.589 3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 63.917 -9.363 3.614 1.00 0.00 H new ATOM 588 N GLN A 35 67.905 -8.812 7.881 1.00 0.00 N ATOM 589 CA GLN A 35 68.214 -8.132 9.042 1.00 0.00 C ATOM 590 C GLN A 35 67.962 -6.678 8.788 1.00 0.00 C ATOM 591 O GLN A 35 68.613 -6.059 7.955 1.00 0.00 O ATOM 592 CB GLN A 35 69.656 -8.466 9.384 1.00 0.00 C ATOM 593 CG GLN A 35 70.487 -7.390 10.037 1.00 0.00 C ATOM 594 CD GLN A 35 70.115 -7.068 11.479 1.00 0.00 C ATOM 595 OE1 GLN A 35 69.636 -8.037 12.201 1.00 0.00 O flip ATOM 596 NE2 GLN A 35 70.287 -5.934 11.944 1.00 0.00 N flip ATOM 0 H GLN A 35 68.651 -8.786 7.186 1.00 0.00 H new ATOM 0 HA GLN A 35 67.605 -8.415 9.901 1.00 0.00 H new ATOM 0 HB2 GLN A 35 69.652 -9.334 10.043 1.00 0.00 H new ATOM 0 HB3 GLN A 35 70.158 -8.766 8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.533 -7.694 10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 35 70.403 -6.479 9.445 1.00 0.00 H new ATOM 0 HE21 GLN A 35 70.665 -5.193 11.354 1.00 0.00 H new ATOM 0 HE22 GLN A 35 70.051 -5.741 12.917 1.00 0.00 H new ATOM 605 N GLN A 36 66.935 -6.196 9.406 1.00 0.00 N ATOM 606 CA GLN A 36 66.527 -4.854 9.318 1.00 0.00 C ATOM 607 C GLN A 36 67.651 -3.985 9.783 1.00 0.00 C ATOM 608 O GLN A 36 68.144 -4.156 10.909 1.00 0.00 O ATOM 609 CB GLN A 36 65.341 -4.647 10.209 1.00 0.00 C ATOM 610 CG GLN A 36 64.497 -3.528 9.751 1.00 0.00 C ATOM 611 CD GLN A 36 63.398 -3.177 10.717 1.00 0.00 C ATOM 612 OE1 GLN A 36 63.582 -2.346 11.601 1.00 0.00 O ATOM 613 NE2 GLN A 36 62.270 -3.797 10.580 1.00 0.00 N ATOM 0 H GLN A 36 66.338 -6.761 10.010 1.00 0.00 H new ATOM 0 HA GLN A 36 66.261 -4.604 8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 36 64.747 -5.560 10.240 1.00 0.00 H new ATOM 0 HB3 GLN A 36 65.681 -4.453 11.226 1.00 0.00 H new ATOM 0 HG2 GLN A 36 65.124 -2.651 9.591 1.00 0.00 H new ATOM 0 HG3 GLN A 36 64.056 -3.785 8.788 1.00 0.00 H new ATOM 0 HE21 GLN A 36 62.152 -4.482 9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 36 61.499 -3.600 11.218 1.00 0.00 H new ATOM 622 N LEU A 37 68.062 -3.078 8.946 1.00 0.00 N ATOM 623 CA LEU A 37 69.183 -2.257 9.243 1.00 0.00 C ATOM 624 C LEU A 37 69.042 -1.415 10.470 1.00 0.00 C ATOM 625 O LEU A 37 67.962 -0.882 10.785 1.00 0.00 O ATOM 626 CB LEU A 37 69.607 -1.408 8.074 1.00 0.00 C ATOM 627 CG LEU A 37 70.595 -2.035 7.117 1.00 0.00 C ATOM 628 CD1 LEU A 37 69.967 -3.161 6.322 1.00 0.00 C ATOM 629 CD2 LEU A 37 71.225 -0.980 6.231 1.00 0.00 C ATOM 0 H LEU A 37 67.626 -2.892 8.043 1.00 0.00 H new ATOM 0 HA LEU A 37 69.972 -2.977 9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 37 68.716 -1.129 7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 37 70.042 -0.486 8.460 1.00 0.00 H new ATOM 0 HG LEU A 37 71.396 -2.487 7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.708 -3.586 5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 37 69.612 -3.934 7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 37 69.128 -2.774 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 37 71.933 -1.452 5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 37 70.448 -0.477 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 37 71.748 -0.251 6.849 1.00 0.00 H new ATOM 641 N LEU A 38 70.131 -1.362 11.193 1.00 0.00 N ATOM 642 CA LEU A 38 70.313 -0.506 12.296 1.00 0.00 C ATOM 643 C LEU A 38 70.268 0.886 11.717 1.00 0.00 C ATOM 644 O LEU A 38 70.896 1.106 10.695 1.00 0.00 O ATOM 645 CB LEU A 38 71.690 -0.763 12.832 1.00 0.00 C ATOM 646 CG LEU A 38 71.865 -0.810 14.327 1.00 0.00 C ATOM 647 CD1 LEU A 38 73.293 -1.183 14.633 1.00 0.00 C ATOM 648 CD2 LEU A 38 71.501 0.512 14.974 1.00 0.00 C ATOM 0 H LEU A 38 70.943 -1.950 11.005 1.00 0.00 H new ATOM 0 HA LEU A 38 69.574 -0.646 13.085 1.00 0.00 H new ATOM 0 HB2 LEU A 38 72.036 -1.713 12.424 1.00 0.00 H new ATOM 0 HB3 LEU A 38 72.351 0.011 12.442 1.00 0.00 H new ATOM 0 HG LEU A 38 71.190 -1.559 14.742 1.00 0.00 H new ATOM 0 HD11 LEU A 38 73.436 -1.221 15.713 1.00 0.00 H new ATOM 0 HD12 LEU A 38 73.514 -2.160 14.203 1.00 0.00 H new ATOM 0 HD13 LEU A 38 73.963 -0.438 14.205 1.00 0.00 H new ATOM 0 HD21 LEU A 38 71.640 0.440 16.053 1.00 0.00 H new ATOM 0 HD22 LEU A 38 72.142 1.300 14.578 1.00 0.00 H new ATOM 0 HD23 LEU A 38 70.459 0.748 14.757 1.00 0.00 H new ATOM 660 N ARG A 39 69.522 1.790 12.321 1.00 0.00 N ATOM 661 CA ARG A 39 69.299 3.140 11.769 1.00 0.00 C ATOM 662 C ARG A 39 70.622 3.810 11.344 1.00 0.00 C ATOM 663 O ARG A 39 70.693 4.435 10.287 1.00 0.00 O ATOM 664 CB ARG A 39 68.604 3.992 12.813 1.00 0.00 C ATOM 665 CG ARG A 39 68.043 5.297 12.300 1.00 0.00 C ATOM 666 CD ARG A 39 67.415 6.067 13.455 1.00 0.00 C ATOM 667 NE ARG A 39 66.452 7.086 13.017 1.00 0.00 N ATOM 668 CZ ARG A 39 66.156 8.209 13.692 1.00 0.00 C ATOM 669 NH1 ARG A 39 66.932 8.623 14.689 1.00 0.00 N ATOM 670 NH2 ARG A 39 65.102 8.931 13.337 1.00 0.00 N ATOM 0 H ARG A 39 69.047 1.623 13.208 1.00 0.00 H new ATOM 0 HA ARG A 39 68.677 3.048 10.879 1.00 0.00 H new ATOM 0 HB2 ARG A 39 67.792 3.412 13.252 1.00 0.00 H new ATOM 0 HB3 ARG A 39 69.311 4.207 13.614 1.00 0.00 H new ATOM 0 HG2 ARG A 39 68.834 5.890 11.841 1.00 0.00 H new ATOM 0 HG3 ARG A 39 67.298 5.107 11.528 1.00 0.00 H new ATOM 0 HD2 ARG A 39 66.913 5.365 14.121 1.00 0.00 H new ATOM 0 HD3 ARG A 39 68.204 6.547 14.034 1.00 0.00 H new ATOM 0 HE ARG A 39 65.971 6.929 12.132 1.00 0.00 H new ATOM 0 HH11 ARG A 39 67.760 8.087 14.947 1.00 0.00 H new ATOM 0 HH12 ARG A 39 66.699 9.477 15.196 1.00 0.00 H new ATOM 0 HH21 ARG A 39 64.520 8.633 12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 39 64.873 9.784 13.847 1.00 0.00 H new ATOM 684 N ARG A 40 71.659 3.624 12.143 1.00 0.00 N ATOM 685 CA ARG A 40 72.971 4.129 11.858 1.00 0.00 C ATOM 686 C ARG A 40 73.522 3.559 10.531 1.00 0.00 C ATOM 687 O ARG A 40 74.034 4.314 9.696 1.00 0.00 O ATOM 688 CB ARG A 40 73.870 3.760 12.999 1.00 0.00 C ATOM 689 CG ARG A 40 75.162 4.489 13.002 1.00 0.00 C ATOM 690 CD ARG A 40 75.996 4.055 14.175 1.00 0.00 C ATOM 691 NE ARG A 40 77.252 4.784 14.279 1.00 0.00 N ATOM 692 CZ ARG A 40 78.276 4.416 15.052 1.00 0.00 C ATOM 693 NH1 ARG A 40 78.231 3.260 15.713 1.00 0.00 N ATOM 694 NH2 ARG A 40 79.356 5.186 15.140 1.00 0.00 N ATOM 0 H ARG A 40 71.601 3.107 13.021 1.00 0.00 H new ATOM 0 HA ARG A 40 72.924 5.212 11.744 1.00 0.00 H new ATOM 0 HB2 ARG A 40 73.351 3.956 13.937 1.00 0.00 H new ATOM 0 HB3 ARG A 40 74.068 2.689 12.962 1.00 0.00 H new ATOM 0 HG2 ARG A 40 75.699 4.297 12.073 1.00 0.00 H new ATOM 0 HG3 ARG A 40 74.983 5.563 13.051 1.00 0.00 H new ATOM 0 HD2 ARG A 40 75.424 4.195 15.092 1.00 0.00 H new ATOM 0 HD3 ARG A 40 76.207 2.989 14.090 1.00 0.00 H new ATOM 0 HE ARG A 40 77.356 5.633 13.724 1.00 0.00 H new ATOM 0 HH11 ARG A 40 77.414 2.656 15.628 1.00 0.00 H new ATOM 0 HH12 ARG A 40 79.014 2.979 16.304 1.00 0.00 H new ATOM 0 HH21 ARG A 40 79.403 6.060 14.616 1.00 0.00 H new ATOM 0 HH22 ARG A 40 80.137 4.903 15.731 1.00 0.00 H new ATOM 708 N GLU A 41 73.366 2.241 10.333 1.00 0.00 N ATOM 709 CA GLU A 41 73.815 1.559 9.104 1.00 0.00 C ATOM 710 C GLU A 41 72.958 2.033 7.924 1.00 0.00 C ATOM 711 O GLU A 41 73.428 2.101 6.789 1.00 0.00 O ATOM 712 CB GLU A 41 73.666 0.026 9.227 1.00 0.00 C ATOM 713 CG GLU A 41 74.315 -0.632 10.443 1.00 0.00 C ATOM 714 CD GLU A 41 75.778 -0.322 10.653 1.00 0.00 C ATOM 715 OE1 GLU A 41 76.627 -0.655 9.805 1.00 0.00 O ATOM 716 OE2 GLU A 41 76.111 0.233 11.732 1.00 0.00 O ATOM 0 H GLU A 41 72.929 1.620 11.013 1.00 0.00 H new ATOM 0 HA GLU A 41 74.866 1.801 8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.602 -0.212 9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.085 -0.429 8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.766 -0.327 11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.201 -1.712 10.353 1.00 0.00 H new ATOM 723 N VAL A 42 71.686 2.352 8.205 1.00 0.00 N ATOM 724 CA VAL A 42 70.786 2.863 7.172 1.00 0.00 C ATOM 725 C VAL A 42 71.343 4.193 6.672 1.00 0.00 C ATOM 726 O VAL A 42 71.448 4.416 5.486 1.00 0.00 O ATOM 727 CB VAL A 42 69.318 3.088 7.673 1.00 0.00 C ATOM 728 CG1 VAL A 42 68.392 3.335 6.497 1.00 0.00 C ATOM 729 CG2 VAL A 42 68.805 1.912 8.462 1.00 0.00 C ATOM 0 H VAL A 42 71.265 2.265 9.130 1.00 0.00 H new ATOM 0 HA VAL A 42 70.737 2.112 6.384 1.00 0.00 H new ATOM 0 HB VAL A 42 69.334 3.960 8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 42 67.376 3.490 6.860 1.00 0.00 H new ATOM 0 HG12 VAL A 42 68.722 4.221 5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.412 2.473 5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.785 2.111 8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.818 1.020 7.836 1.00 0.00 H new ATOM 0 HG23 VAL A 42 69.441 1.753 9.333 1.00 0.00 H new ATOM 739 N TYR A 43 71.739 5.060 7.601 1.00 0.00 N ATOM 740 CA TYR A 43 72.353 6.336 7.240 1.00 0.00 C ATOM 741 C TYR A 43 73.598 6.166 6.407 1.00 0.00 C ATOM 742 O TYR A 43 73.813 6.938 5.485 1.00 0.00 O ATOM 743 CB TYR A 43 72.665 7.186 8.463 1.00 0.00 C ATOM 744 CG TYR A 43 71.448 7.736 9.086 1.00 0.00 C ATOM 745 CD1 TYR A 43 70.591 8.514 8.355 1.00 0.00 C ATOM 746 CD2 TYR A 43 71.122 7.443 10.387 1.00 0.00 C ATOM 747 CE1 TYR A 43 69.443 8.994 8.898 1.00 0.00 C ATOM 748 CE2 TYR A 43 69.963 7.914 10.942 1.00 0.00 C ATOM 749 CZ TYR A 43 69.127 8.693 10.186 1.00 0.00 C ATOM 750 OH TYR A 43 67.958 9.159 10.711 1.00 0.00 O ATOM 0 H TYR A 43 71.647 4.904 8.605 1.00 0.00 H new ATOM 0 HA TYR A 43 71.611 6.856 6.634 1.00 0.00 H new ATOM 0 HB2 TYR A 43 73.204 6.583 9.194 1.00 0.00 H new ATOM 0 HB3 TYR A 43 73.325 8.004 8.175 1.00 0.00 H new ATOM 0 HD1 TYR A 43 70.832 8.750 7.329 1.00 0.00 H new ATOM 0 HD2 TYR A 43 71.788 6.834 10.980 1.00 0.00 H new ATOM 0 HE1 TYR A 43 68.783 9.613 8.309 1.00 0.00 H new ATOM 0 HE2 TYR A 43 69.710 7.674 11.964 1.00 0.00 H new ATOM 0 HH TYR A 43 67.494 9.705 10.043 1.00 0.00 H new ATOM 760 N ASP A 44 74.389 5.135 6.702 1.00 0.00 N ATOM 761 CA ASP A 44 75.635 4.854 5.990 1.00 0.00 C ATOM 762 C ASP A 44 75.418 4.748 4.536 1.00 0.00 C ATOM 763 O ASP A 44 76.218 5.208 3.751 1.00 0.00 O ATOM 764 CB ASP A 44 76.262 3.556 6.453 1.00 0.00 C ATOM 765 CG ASP A 44 76.914 3.659 7.809 1.00 0.00 C ATOM 766 OD1 ASP A 44 77.733 4.585 8.019 1.00 0.00 O ATOM 767 OD2 ASP A 44 76.629 2.860 8.684 1.00 0.00 O ATOM 0 H ASP A 44 74.182 4.468 7.445 1.00 0.00 H new ATOM 0 HA ASP A 44 76.299 5.690 6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 44 75.496 2.781 6.484 1.00 0.00 H new ATOM 0 HB3 ASP A 44 77.007 3.239 5.723 1.00 0.00 H new ATOM 772 N PHE A 45 74.343 4.151 4.200 1.00 0.00 N ATOM 773 CA PHE A 45 73.961 3.912 2.864 1.00 0.00 C ATOM 774 C PHE A 45 73.877 5.235 2.054 1.00 0.00 C ATOM 775 O PHE A 45 74.462 5.347 0.972 1.00 0.00 O ATOM 776 CB PHE A 45 72.632 3.238 2.916 1.00 0.00 C ATOM 777 CG PHE A 45 72.447 2.247 1.887 1.00 0.00 C ATOM 778 CD1 PHE A 45 72.899 0.947 2.074 1.00 0.00 C ATOM 779 CD2 PHE A 45 71.819 2.589 0.730 1.00 0.00 C ATOM 780 CE1 PHE A 45 72.695 0.019 1.084 1.00 0.00 C ATOM 781 CE2 PHE A 45 71.619 1.672 -0.240 1.00 0.00 C ATOM 782 CZ PHE A 45 72.047 0.388 -0.071 1.00 0.00 C ATOM 0 H PHE A 45 73.671 3.798 4.882 1.00 0.00 H new ATOM 0 HA PHE A 45 74.699 3.289 2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 45 72.512 2.765 3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 45 71.849 3.991 2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 45 73.405 0.670 2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 45 71.477 3.603 0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 45 73.042 -0.996 1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 45 71.118 1.956 -1.154 1.00 0.00 H new ATOM 0 HZ PHE A 45 71.876 -0.342 -0.848 1.00 0.00 H new ATOM 792 N ALA A 46 73.183 6.234 2.604 1.00 0.00 N ATOM 793 CA ALA A 46 73.039 7.531 1.931 1.00 0.00 C ATOM 794 C ALA A 46 74.218 8.443 2.221 1.00 0.00 C ATOM 795 O ALA A 46 74.522 9.348 1.443 1.00 0.00 O ATOM 796 CB ALA A 46 71.747 8.216 2.311 1.00 0.00 C ATOM 0 H ALA A 46 72.714 6.173 3.508 1.00 0.00 H new ATOM 0 HA ALA A 46 73.016 7.328 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 46 71.676 9.173 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 46 70.904 7.586 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 46 71.727 8.384 3.388 1.00 0.00 H new ATOM 802 N ARG A 47 74.873 8.219 3.347 1.00 0.00 N ATOM 803 CA ARG A 47 76.042 8.990 3.719 1.00 0.00 C ATOM 804 C ARG A 47 77.230 8.609 2.814 1.00 0.00 C ATOM 805 O ARG A 47 78.155 9.397 2.589 1.00 0.00 O ATOM 806 CB ARG A 47 76.342 8.812 5.227 1.00 0.00 C ATOM 807 CG ARG A 47 75.768 9.895 6.182 1.00 0.00 C ATOM 808 CD ARG A 47 74.230 9.996 6.228 1.00 0.00 C ATOM 809 NE ARG A 47 73.626 10.598 5.027 1.00 0.00 N ATOM 810 CZ ARG A 47 72.384 11.109 4.960 1.00 0.00 C ATOM 811 NH1 ARG A 47 71.631 11.222 6.056 1.00 0.00 N ATOM 812 NH2 ARG A 47 71.917 11.552 3.808 1.00 0.00 N ATOM 0 H ARG A 47 74.610 7.502 4.024 1.00 0.00 H new ATOM 0 HA ARG A 47 75.855 10.053 3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.955 7.842 5.539 1.00 0.00 H new ATOM 0 HB3 ARG A 47 77.424 8.781 5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 47 76.131 9.694 7.190 1.00 0.00 H new ATOM 0 HG3 ARG A 47 76.169 10.864 5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 47 73.816 8.997 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 47 73.942 10.584 7.099 1.00 0.00 H new ATOM 0 HE ARG A 47 74.194 10.630 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 47 71.996 10.919 6.959 1.00 0.00 H new ATOM 0 HH12 ARG A 47 70.691 11.611 5.991 1.00 0.00 H new ATOM 0 HH21 ARG A 47 72.498 11.506 2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 47 70.975 11.940 3.755 1.00 0.00 H new ATOM 826 N ARG A 48 77.171 7.410 2.294 1.00 0.00 N ATOM 827 CA ARG A 48 78.110 6.923 1.316 1.00 0.00 C ATOM 828 C ARG A 48 77.370 6.864 -0.023 1.00 0.00 C ATOM 829 O ARG A 48 76.392 7.597 -0.213 1.00 0.00 O ATOM 830 CB ARG A 48 78.566 5.549 1.715 1.00 0.00 C ATOM 831 CG ARG A 48 79.308 5.477 3.028 1.00 0.00 C ATOM 832 CD ARG A 48 79.465 4.039 3.433 1.00 0.00 C ATOM 833 NE ARG A 48 80.296 3.877 4.634 1.00 0.00 N ATOM 834 CZ ARG A 48 80.238 2.848 5.505 1.00 0.00 C ATOM 835 NH1 ARG A 48 79.271 1.933 5.416 1.00 0.00 N ATOM 836 NH2 ARG A 48 81.131 2.763 6.482 1.00 0.00 N ATOM 0 H ARG A 48 76.453 6.730 2.544 1.00 0.00 H new ATOM 0 HA ARG A 48 78.984 7.570 1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 48 77.695 4.896 1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 48 79.210 5.154 0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 48 80.286 5.948 2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 48 78.764 6.026 3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 48 78.481 3.608 3.616 1.00 0.00 H new ATOM 0 HD3 ARG A 48 79.910 3.480 2.610 1.00 0.00 H new ATOM 0 HE ARG A 48 80.979 4.609 4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 48 78.565 2.007 4.684 1.00 0.00 H new ATOM 0 HH12 ARG A 48 79.238 1.160 6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 48 81.857 3.474 6.572 1.00 0.00 H new ATOM 0 HH22 ARG A 48 81.091 1.987 7.143 1.00 0.00 H new ATOM 850 N ASP A 49 77.786 6.018 -0.938 1.00 0.00 N ATOM 851 CA ASP A 49 77.104 5.951 -2.224 1.00 0.00 C ATOM 852 C ASP A 49 76.926 4.512 -2.677 1.00 0.00 C ATOM 853 O ASP A 49 77.691 3.993 -3.501 1.00 0.00 O ATOM 854 CB ASP A 49 77.810 6.804 -3.298 1.00 0.00 C ATOM 855 CG ASP A 49 76.971 7.005 -4.547 1.00 0.00 C ATOM 856 OD1 ASP A 49 76.024 7.847 -4.512 1.00 0.00 O ATOM 857 OD2 ASP A 49 77.257 6.384 -5.604 1.00 0.00 O ATOM 0 H ASP A 49 78.573 5.379 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 49 76.111 6.379 -2.087 1.00 0.00 H new ATOM 0 HB2 ASP A 49 78.059 7.777 -2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 49 78.750 6.326 -3.573 1.00 0.00 H new ATOM 862 N LEU A 50 75.996 3.837 -2.039 1.00 0.00 N ATOM 863 CA LEU A 50 75.657 2.479 -2.366 1.00 0.00 C ATOM 864 C LEU A 50 74.334 2.432 -3.095 1.00 0.00 C ATOM 865 O LEU A 50 73.551 3.397 -3.039 1.00 0.00 O ATOM 866 CB LEU A 50 75.551 1.617 -1.104 1.00 0.00 C ATOM 867 CG LEU A 50 76.821 1.457 -0.273 1.00 0.00 C ATOM 868 CD1 LEU A 50 77.157 2.705 0.497 1.00 0.00 C ATOM 869 CD2 LEU A 50 76.723 0.279 0.637 1.00 0.00 C ATOM 0 H LEU A 50 75.450 4.225 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 50 76.450 2.086 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 50 74.778 2.044 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 50 75.210 0.624 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 50 77.638 1.282 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 50 78.068 2.543 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 50 77.309 3.531 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 50 76.338 2.946 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 50 77.642 0.190 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 50 75.879 0.411 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 50 76.577 -0.626 0.047 1.00 0.00 H new ATOM 881 N CYS A 51 74.070 1.332 -3.757 1.00 0.00 N ATOM 882 CA CYS A 51 72.823 1.170 -4.448 1.00 0.00 C ATOM 883 C CYS A 51 71.947 0.249 -3.648 1.00 0.00 C ATOM 884 O CYS A 51 72.444 -0.643 -2.947 1.00 0.00 O ATOM 885 CB CYS A 51 73.023 0.562 -5.835 1.00 0.00 C ATOM 886 SG CYS A 51 73.455 -1.195 -5.793 1.00 0.00 S ATOM 0 H CYS A 51 74.705 0.537 -3.829 1.00 0.00 H new ATOM 0 HA CYS A 51 72.367 2.153 -4.564 1.00 0.00 H new ATOM 0 HB2 CYS A 51 72.109 0.690 -6.415 1.00 0.00 H new ATOM 0 HB3 CYS A 51 73.810 1.110 -6.354 1.00 0.00 H new ATOM 0 HG CYS A 51 73.276 -1.657 -4.591 1.00 0.00 H new ATOM 892 N ILE A 52 70.681 0.448 -3.755 1.00 0.00 N ATOM 893 CA ILE A 52 69.734 -0.375 -3.111 1.00 0.00 C ATOM 894 C ILE A 52 69.509 -1.609 -3.865 1.00 0.00 C ATOM 895 O ILE A 52 69.394 -1.624 -5.106 1.00 0.00 O ATOM 896 CB ILE A 52 68.434 0.365 -2.793 1.00 0.00 C ATOM 897 CG1 ILE A 52 68.772 1.281 -1.687 1.00 0.00 C ATOM 898 CG2 ILE A 52 67.271 -0.570 -2.406 1.00 0.00 C ATOM 899 CD1 ILE A 52 67.644 1.888 -1.047 1.00 0.00 C ATOM 0 H ILE A 52 70.272 1.204 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 52 70.154 -0.658 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 52 68.072 0.889 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 52 69.344 0.731 -0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.422 2.068 -2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 52 66.382 0.024 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 52 67.064 -1.253 -3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 52 67.544 -1.143 -1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 52 67.989 2.544 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 52 67.081 2.470 -1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 52 67.002 1.113 -0.629 1.00 0.00 H new ATOM 911 N VAL A 53 69.458 -2.610 -3.110 1.00 0.00 N ATOM 912 CA VAL A 53 69.378 -3.917 -3.532 1.00 0.00 C ATOM 913 C VAL A 53 68.027 -4.484 -3.212 1.00 0.00 C ATOM 914 O VAL A 53 67.585 -4.557 -2.060 1.00 0.00 O ATOM 915 CB VAL A 53 70.515 -4.724 -2.909 1.00 0.00 C ATOM 916 CG1 VAL A 53 71.795 -4.497 -3.710 1.00 0.00 C ATOM 917 CG2 VAL A 53 70.737 -4.232 -1.485 1.00 0.00 C ATOM 0 H VAL A 53 69.473 -2.524 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 53 69.493 -3.968 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 53 70.261 -5.784 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 53 72.608 -5.072 -3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 53 71.642 -4.819 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 53 72.050 -3.437 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 53 71.547 -4.799 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 53 70.999 -3.174 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 53 69.824 -4.370 -0.906 1.00 0.00 H new ATOM 927 N TYR A 54 67.356 -4.790 -4.228 1.00 0.00 N ATOM 928 CA TYR A 54 66.079 -5.347 -4.157 1.00 0.00 C ATOM 929 C TYR A 54 66.196 -6.806 -4.221 1.00 0.00 C ATOM 930 O TYR A 54 66.659 -7.369 -5.208 1.00 0.00 O ATOM 931 CB TYR A 54 65.219 -4.809 -5.285 1.00 0.00 C ATOM 932 CG TYR A 54 65.008 -3.335 -5.154 1.00 0.00 C ATOM 933 CD1 TYR A 54 65.970 -2.419 -5.548 1.00 0.00 C ATOM 934 CD2 TYR A 54 63.880 -2.864 -4.583 1.00 0.00 C ATOM 935 CE1 TYR A 54 65.783 -1.075 -5.352 1.00 0.00 C ATOM 936 CE2 TYR A 54 63.682 -1.547 -4.404 1.00 0.00 C ATOM 937 CZ TYR A 54 64.631 -0.650 -4.782 1.00 0.00 C ATOM 938 OH TYR A 54 64.442 0.686 -4.527 1.00 0.00 O ATOM 0 H TYR A 54 67.693 -4.655 -5.181 1.00 0.00 H new ATOM 0 HA TYR A 54 65.599 -5.076 -3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 54 65.693 -5.027 -6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 54 64.255 -5.318 -5.284 1.00 0.00 H new ATOM 0 HD1 TYR A 54 66.879 -2.768 -6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 54 63.119 -3.561 -4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 54 66.543 -0.367 -5.648 1.00 0.00 H new ATOM 0 HE2 TYR A 54 62.763 -1.199 -3.957 1.00 0.00 H new ATOM 0 HH TYR A 54 64.959 1.218 -5.168 1.00 0.00 H new ATOM 948 N ARG A 55 65.818 -7.423 -3.156 1.00 0.00 N ATOM 949 CA ARG A 55 65.873 -8.865 -3.130 1.00 0.00 C ATOM 950 C ARG A 55 64.578 -9.292 -3.734 1.00 0.00 C ATOM 951 O ARG A 55 63.495 -8.951 -3.174 1.00 0.00 O ATOM 952 CB ARG A 55 65.996 -9.455 -1.714 1.00 0.00 C ATOM 953 CG ARG A 55 66.972 -10.667 -1.579 1.00 0.00 C ATOM 954 CD ARG A 55 66.435 -11.943 -2.198 1.00 0.00 C ATOM 955 NE ARG A 55 67.342 -13.077 -1.964 1.00 0.00 N ATOM 956 CZ ARG A 55 67.708 -13.989 -2.872 1.00 0.00 C ATOM 957 NH1 ARG A 55 67.303 -13.881 -4.130 1.00 0.00 N ATOM 958 NH2 ARG A 55 68.514 -14.982 -2.516 1.00 0.00 N ATOM 0 H ARG A 55 65.474 -6.977 -2.306 1.00 0.00 H new ATOM 0 HA ARG A 55 66.757 -9.217 -3.662 1.00 0.00 H new ATOM 0 HB2 ARG A 55 66.326 -8.667 -1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 55 65.006 -9.768 -1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 55 67.921 -10.414 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 55 67.178 -10.843 -0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 55 65.454 -12.167 -1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 55 66.299 -11.800 -3.270 1.00 0.00 H new ATOM 0 HE ARG A 55 67.727 -13.177 -1.025 1.00 0.00 H new ATOM 0 HH11 ARG A 55 66.710 -13.100 -4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 55 67.585 -14.579 -4.818 1.00 0.00 H new ATOM 0 HH21 ARG A 55 68.850 -15.046 -1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 55 68.797 -15.681 -3.203 1.00 0.00 H new ATOM 972 N ASP A 56 64.667 -9.898 -4.901 1.00 0.00 N ATOM 973 CA ASP A 56 63.527 -10.365 -5.714 1.00 0.00 C ATOM 974 C ASP A 56 62.721 -9.188 -6.279 1.00 0.00 C ATOM 975 O ASP A 56 62.579 -9.046 -7.494 1.00 0.00 O ATOM 976 CB ASP A 56 62.612 -11.333 -4.953 1.00 0.00 C ATOM 977 CG ASP A 56 61.547 -11.929 -5.851 1.00 0.00 C ATOM 978 OD1 ASP A 56 61.864 -12.891 -6.598 1.00 0.00 O ATOM 979 OD2 ASP A 56 60.385 -11.464 -5.828 1.00 0.00 O ATOM 0 H ASP A 56 65.567 -10.094 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 56 63.956 -10.921 -6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 56 63.211 -12.134 -4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 56 62.136 -10.807 -4.125 1.00 0.00 H new ATOM 984 N GLY A 57 62.193 -8.364 -5.404 1.00 0.00 N ATOM 985 CA GLY A 57 61.479 -7.202 -5.821 1.00 0.00 C ATOM 986 C GLY A 57 61.013 -6.351 -4.671 1.00 0.00 C ATOM 987 O GLY A 57 59.900 -5.825 -4.701 1.00 0.00 O ATOM 0 H GLY A 57 62.251 -8.487 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 57 62.118 -6.605 -6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 57 60.616 -7.506 -6.413 1.00 0.00 H new ATOM 991 N ASN A 58 61.837 -6.223 -3.640 1.00 0.00 N ATOM 992 CA ASN A 58 61.481 -5.400 -2.467 1.00 0.00 C ATOM 993 C ASN A 58 62.731 -4.652 -2.053 1.00 0.00 C ATOM 994 O ASN A 58 63.825 -5.177 -2.239 1.00 0.00 O ATOM 995 CB ASN A 58 61.095 -6.303 -1.307 1.00 0.00 C ATOM 996 CG ASN A 58 60.220 -7.488 -1.660 1.00 0.00 C ATOM 997 OD1 ASN A 58 58.999 -7.426 -1.624 1.00 0.00 O ATOM 998 ND2 ASN A 58 60.869 -8.587 -2.027 1.00 0.00 N ATOM 0 H ASN A 58 62.752 -6.670 -3.581 1.00 0.00 H new ATOM 0 HA ASN A 58 60.656 -4.732 -2.713 1.00 0.00 H new ATOM 0 HB2 ASN A 58 62.007 -6.675 -0.841 1.00 0.00 H new ATOM 0 HB3 ASN A 58 60.577 -5.702 -0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 58 60.348 -9.422 -2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 58 61.889 -8.596 -2.043 1.00 0.00 H new ATOM 1005 N PRO A 59 62.614 -3.424 -1.509 1.00 0.00 N ATOM 1006 CA PRO A 59 63.778 -2.613 -1.154 1.00 0.00 C ATOM 1007 C PRO A 59 64.526 -2.932 0.182 1.00 0.00 C ATOM 1008 O PRO A 59 64.019 -2.907 1.438 1.00 0.00 O ATOM 1009 CB PRO A 59 63.273 -1.169 -1.207 1.00 0.00 C ATOM 1010 CG PRO A 59 61.803 -1.250 -1.569 1.00 0.00 C ATOM 1011 CD PRO A 59 61.373 -2.670 -1.306 1.00 0.00 C ATOM 0 HA PRO A 59 64.574 -2.840 -1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 59 63.411 -0.673 -0.246 1.00 0.00 H new ATOM 0 HB3 PRO A 59 63.825 -0.590 -1.947 1.00 0.00 H new ATOM 0 HG2 PRO A 59 61.218 -0.551 -0.972 1.00 0.00 H new ATOM 0 HG3 PRO A 59 61.646 -0.985 -2.615 1.00 0.00 H new ATOM 0 HD2 PRO A 59 60.984 -2.795 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 59 60.588 -2.989 -1.992 1.00 0.00 H new ATOM 1019 N TYR A 60 65.745 -3.162 -0.012 1.00 0.00 N ATOM 1020 CA TYR A 60 66.499 -3.461 1.040 1.00 0.00 C ATOM 1021 C TYR A 60 67.795 -2.811 0.873 1.00 0.00 C ATOM 1022 O TYR A 60 68.236 -2.485 -0.230 1.00 0.00 O ATOM 1023 CB TYR A 60 66.659 -4.952 1.240 1.00 0.00 C ATOM 1024 CG TYR A 60 65.437 -5.800 1.115 1.00 0.00 C ATOM 1025 CD1 TYR A 60 64.523 -5.858 2.106 1.00 0.00 C ATOM 1026 CD2 TYR A 60 65.244 -6.575 0.017 1.00 0.00 C ATOM 1027 CE1 TYR A 60 63.428 -6.696 2.023 1.00 0.00 C ATOM 1028 CE2 TYR A 60 64.147 -7.397 -0.090 1.00 0.00 C ATOM 1029 CZ TYR A 60 63.253 -7.455 0.922 1.00 0.00 C ATOM 1030 OH TYR A 60 62.197 -8.334 0.852 1.00 0.00 O ATOM 0 H TYR A 60 66.220 -3.141 -0.914 1.00 0.00 H new ATOM 0 HA TYR A 60 66.004 -3.095 1.939 1.00 0.00 H new ATOM 0 HB2 TYR A 60 67.393 -5.311 0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 60 67.081 -5.115 2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 60 64.650 -5.237 2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 60 65.965 -6.545 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 60 62.717 -6.743 2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 60 64.000 -7.993 -0.978 1.00 0.00 H new ATOM 0 HH TYR A 60 61.354 -7.840 0.936 1.00 0.00 H new ATOM 1040 N ALA A 61 68.337 -2.576 1.927 1.00 0.00 N ATOM 1041 CA ALA A 61 69.569 -2.030 2.057 1.00 0.00 C ATOM 1042 C ALA A 61 70.565 -3.171 2.174 1.00 0.00 C ATOM 1043 O ALA A 61 70.203 -4.351 2.076 1.00 0.00 O ATOM 1044 CB ALA A 61 69.543 -1.281 3.319 1.00 0.00 C ATOM 0 H ALA A 61 67.895 -2.777 2.824 1.00 0.00 H new ATOM 0 HA ALA A 61 69.840 -1.388 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.513 -0.813 3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 61 68.773 -0.511 3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 61 69.323 -1.962 4.142 1.00 0.00 H new ATOM 1050 N VAL A 62 71.752 -2.835 2.404 1.00 0.00 N ATOM 1051 CA VAL A 62 72.798 -3.767 2.612 1.00 0.00 C ATOM 1052 C VAL A 62 73.192 -3.616 4.081 1.00 0.00 C ATOM 1053 O VAL A 62 73.594 -2.535 4.487 1.00 0.00 O ATOM 1054 CB VAL A 62 73.960 -3.437 1.620 1.00 0.00 C ATOM 1055 CG1 VAL A 62 75.229 -4.088 1.963 1.00 0.00 C ATOM 1056 CG2 VAL A 62 73.573 -3.745 0.188 1.00 0.00 C ATOM 0 H VAL A 62 72.055 -1.862 2.459 1.00 0.00 H new ATOM 0 HA VAL A 62 72.517 -4.802 2.420 1.00 0.00 H new ATOM 0 HB VAL A 62 74.127 -2.364 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 62 75.988 -3.813 1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 62 75.547 -3.766 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 62 75.096 -5.170 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 62 74.405 -3.503 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 62 73.332 -4.804 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 62 72.703 -3.150 -0.090 1.00 0.00 H new ATOM 1066 N CYS A 63 72.933 -4.661 4.893 1.00 0.00 N ATOM 1067 CA CYS A 63 73.162 -4.602 6.351 1.00 0.00 C ATOM 1068 C CYS A 63 74.617 -4.389 6.729 1.00 0.00 C ATOM 1069 O CYS A 63 75.473 -4.457 5.902 1.00 0.00 O ATOM 1070 CB CYS A 63 72.680 -5.882 7.013 1.00 0.00 C ATOM 1071 SG CYS A 63 73.826 -7.307 6.881 1.00 0.00 S ATOM 0 H CYS A 63 72.566 -5.554 4.565 1.00 0.00 H new ATOM 0 HA CYS A 63 72.597 -3.739 6.703 1.00 0.00 H new ATOM 0 HB2 CYS A 63 72.497 -5.680 8.068 1.00 0.00 H new ATOM 0 HB3 CYS A 63 71.724 -6.163 6.572 1.00 0.00 H new ATOM 0 HG CYS A 63 74.913 -6.935 6.273 1.00 0.00 H new ATOM 1076 N ASP A 64 74.848 -4.226 8.029 1.00 0.00 N ATOM 1077 CA ASP A 64 76.186 -4.056 8.648 1.00 0.00 C ATOM 1078 C ASP A 64 77.194 -5.066 8.118 1.00 0.00 C ATOM 1079 O ASP A 64 78.310 -4.707 7.708 1.00 0.00 O ATOM 1080 CB ASP A 64 76.052 -4.253 10.168 1.00 0.00 C ATOM 1081 CG ASP A 64 77.385 -4.391 10.903 1.00 0.00 C ATOM 1082 OD1 ASP A 64 77.873 -5.524 11.040 1.00 0.00 O ATOM 1083 OD2 ASP A 64 77.954 -3.374 11.388 1.00 0.00 O ATOM 0 H ASP A 64 74.093 -4.206 8.714 1.00 0.00 H new ATOM 0 HA ASP A 64 76.546 -3.057 8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 64 75.506 -3.407 10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 64 75.453 -5.144 10.356 1.00 0.00 H new ATOM 1088 N LYS A 65 76.785 -6.305 8.114 1.00 0.00 N ATOM 1089 CA LYS A 65 77.625 -7.402 7.705 1.00 0.00 C ATOM 1090 C LYS A 65 77.921 -7.325 6.222 1.00 0.00 C ATOM 1091 O LYS A 65 79.065 -7.459 5.795 1.00 0.00 O ATOM 1092 CB LYS A 65 76.943 -8.708 8.049 1.00 0.00 C ATOM 1093 CG LYS A 65 76.652 -8.830 9.524 1.00 0.00 C ATOM 1094 CD LYS A 65 75.873 -10.072 9.840 1.00 0.00 C ATOM 1095 CE LYS A 65 75.587 -10.141 11.320 1.00 0.00 C ATOM 1096 NZ LYS A 65 74.854 -11.364 11.691 1.00 0.00 N ATOM 0 H LYS A 65 75.847 -6.587 8.398 1.00 0.00 H new ATOM 0 HA LYS A 65 78.575 -7.344 8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 65 76.011 -8.787 7.489 1.00 0.00 H new ATOM 0 HB3 LYS A 65 77.575 -9.539 7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 65 77.590 -8.839 10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 65 76.092 -7.956 9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 65 74.938 -10.077 9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 65 76.435 -10.952 9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 65 76.526 -10.102 11.872 1.00 0.00 H new ATOM 0 HE3 LYS A 65 75.006 -9.268 11.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 74.680 -11.367 12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 73.945 -11.391 11.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 75.418 -12.199 11.433 1.00 0.00 H new