USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 416 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 28 GLN : amide:sc= 0.456 K(o=-0.018,f=-2.9) USER MOD Set 1.2: A 60 GLN : amide:sc= -0.474 K(o=-0.018,f=-2.4) USER MOD Single : A 25 THR OG1 : rot -19:sc= 0.385 USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0605) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 91:sc= 1.25 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.171 F(o=-0.74,f=-0.17) USER MOD Single : A 40 MET CE :methyl -163:sc= -0.0958 (180deg=-0.499) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0637 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.46) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.65! C(o=-1.6!,f=-11!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 155 N THR A 25 3.204 -2.649 -9.266 1.00 0.00 N ATOM 156 CA THR A 25 2.866 -2.865 -10.661 1.00 0.00 C ATOM 157 C THR A 25 1.437 -2.418 -10.950 1.00 0.00 C ATOM 158 O THR A 25 0.688 -2.087 -10.025 1.00 0.00 O ATOM 159 CB THR A 25 3.033 -4.348 -11.030 1.00 0.00 C ATOM 160 OG1 THR A 25 2.529 -5.168 -9.966 1.00 0.00 O ATOM 161 CG2 THR A 25 4.497 -4.680 -11.290 1.00 0.00 C ATOM 0 HA THR A 25 3.546 -2.268 -11.268 1.00 0.00 H new ATOM 0 HB THR A 25 2.470 -4.545 -11.942 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.472 -4.638 -9.144 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.590 -5.735 -11.549 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.868 -4.070 -12.113 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.082 -4.474 -10.394 1.00 0.00 H new ATOM 169 N LYS A 26 1.057 -2.407 -12.223 1.00 0.00 N ATOM 170 CA LYS A 26 -0.284 -1.985 -12.615 1.00 0.00 C ATOM 171 C LYS A 26 -1.333 -2.897 -11.990 1.00 0.00 C ATOM 172 O LYS A 26 -2.285 -2.425 -11.377 1.00 0.00 O ATOM 173 CB LYS A 26 -0.439 -1.990 -14.140 1.00 0.00 C ATOM 174 CG LYS A 26 0.730 -1.365 -14.882 1.00 0.00 C ATOM 175 CD LYS A 26 0.393 -1.122 -16.345 1.00 0.00 C ATOM 176 CE LYS A 26 1.629 -1.194 -17.229 1.00 0.00 C ATOM 177 NZ LYS A 26 2.104 -2.593 -17.413 1.00 0.00 N ATOM 0 H LYS A 26 1.657 -2.685 -13.000 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.432 -0.967 -12.254 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.563 -3.019 -14.479 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.351 -1.455 -14.404 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.001 -0.422 -14.408 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.599 -2.019 -14.811 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.335 -1.861 -16.678 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.074 -0.143 -16.453 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.405 -0.757 -18.202 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.426 -0.596 -16.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.813 -2.622 -18.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.532 -2.934 -16.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.300 -3.202 -17.666 1.00 0.00 H new ATOM 191 N TYR A 27 -1.134 -4.202 -12.139 1.00 0.00 N ATOM 192 CA TYR A 27 -2.056 -5.198 -11.598 1.00 0.00 C ATOM 193 C TYR A 27 -2.250 -5.018 -10.095 1.00 0.00 C ATOM 194 O TYR A 27 -3.376 -5.051 -9.597 1.00 0.00 O ATOM 195 CB TYR A 27 -1.533 -6.606 -11.894 1.00 0.00 C ATOM 196 CG TYR A 27 -2.567 -7.698 -11.732 1.00 0.00 C ATOM 197 CD1 TYR A 27 -3.773 -7.651 -12.421 1.00 0.00 C ATOM 198 CD2 TYR A 27 -2.331 -8.782 -10.897 1.00 0.00 C ATOM 199 CE1 TYR A 27 -4.712 -8.655 -12.283 1.00 0.00 C ATOM 200 CE2 TYR A 27 -3.266 -9.787 -10.751 1.00 0.00 C ATOM 201 CZ TYR A 27 -4.454 -9.718 -11.447 1.00 0.00 C ATOM 202 OH TYR A 27 -5.385 -10.727 -11.312 1.00 0.00 O ATOM 0 H TYR A 27 -0.335 -4.599 -12.634 1.00 0.00 H new ATOM 0 HA TYR A 27 -3.024 -5.061 -12.080 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.150 -6.632 -12.914 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.693 -6.816 -11.232 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.979 -6.816 -13.075 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.400 -8.840 -10.353 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.643 -8.606 -12.828 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.068 -10.622 -10.096 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.048 -11.401 -10.686 1.00 0.00 H new ATOM 212 N GLN A 28 -1.148 -4.814 -9.384 1.00 0.00 N ATOM 213 CA GLN A 28 -1.191 -4.631 -7.940 1.00 0.00 C ATOM 214 C GLN A 28 -1.951 -3.363 -7.579 1.00 0.00 C ATOM 215 O GLN A 28 -2.859 -3.382 -6.746 1.00 0.00 O ATOM 216 CB GLN A 28 0.226 -4.565 -7.380 1.00 0.00 C ATOM 217 CG GLN A 28 0.278 -4.417 -5.868 1.00 0.00 C ATOM 218 CD GLN A 28 1.684 -4.194 -5.346 1.00 0.00 C ATOM 219 OE1 GLN A 28 1.887 -3.456 -4.386 1.00 0.00 O ATOM 220 NE2 GLN A 28 2.660 -4.846 -5.960 1.00 0.00 N ATOM 0 H GLN A 28 -0.211 -4.771 -9.786 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.712 -5.482 -7.501 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.763 -5.469 -7.667 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.749 -3.725 -7.837 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.353 -3.580 -5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.138 -5.312 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.449 -5.450 -6.755 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.623 -4.744 -5.638 1.00 0.00 H new ATOM 229 N THR A 29 -1.577 -2.271 -8.224 1.00 0.00 N ATOM 230 CA THR A 29 -2.207 -0.984 -7.981 1.00 0.00 C ATOM 231 C THR A 29 -3.699 -1.022 -8.319 1.00 0.00 C ATOM 232 O THR A 29 -4.523 -0.531 -7.552 1.00 0.00 O ATOM 233 CB THR A 29 -1.521 0.133 -8.795 1.00 0.00 C ATOM 234 OG1 THR A 29 -0.098 0.045 -8.640 1.00 0.00 O ATOM 235 CG2 THR A 29 -1.998 1.506 -8.346 1.00 0.00 C ATOM 0 H THR A 29 -0.836 -2.250 -8.924 1.00 0.00 H new ATOM 0 HA THR A 29 -2.095 -0.768 -6.919 1.00 0.00 H new ATOM 0 HB THR A 29 -1.785 0.001 -9.844 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.274 -0.519 -9.350 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.499 2.275 -8.936 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.076 1.581 -8.489 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.761 1.647 -7.291 1.00 0.00 H new ATOM 243 N LEU A 30 -4.040 -1.627 -9.453 1.00 0.00 N ATOM 244 CA LEU A 30 -5.431 -1.717 -9.886 1.00 0.00 C ATOM 245 C LEU A 30 -6.285 -2.481 -8.880 1.00 0.00 C ATOM 246 O LEU A 30 -7.368 -2.025 -8.511 1.00 0.00 O ATOM 247 CB LEU A 30 -5.526 -2.379 -11.262 1.00 0.00 C ATOM 248 CG LEU A 30 -5.068 -1.509 -12.436 1.00 0.00 C ATOM 249 CD1 LEU A 30 -5.111 -2.299 -13.733 1.00 0.00 C ATOM 250 CD2 LEU A 30 -5.933 -0.261 -12.544 1.00 0.00 C ATOM 0 H LEU A 30 -3.372 -2.062 -10.089 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.817 -0.700 -9.953 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.929 -3.291 -11.251 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.560 -2.678 -11.433 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.038 -1.201 -12.254 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.782 -1.665 -14.556 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.451 -3.163 -13.655 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.130 -2.637 -13.920 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.593 0.346 -13.384 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.972 -0.551 -12.703 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.854 0.317 -11.623 1.00 0.00 H new ATOM 262 N GLU A 31 -5.788 -3.627 -8.423 1.00 0.00 N ATOM 263 CA GLU A 31 -6.521 -4.443 -7.462 1.00 0.00 C ATOM 264 C GLU A 31 -6.747 -3.670 -6.166 1.00 0.00 C ATOM 265 O GLU A 31 -7.871 -3.572 -5.679 1.00 0.00 O ATOM 266 CB GLU A 31 -5.760 -5.745 -7.178 1.00 0.00 C ATOM 267 CG GLU A 31 -6.397 -6.617 -6.102 1.00 0.00 C ATOM 268 CD GLU A 31 -7.390 -7.615 -6.662 1.00 0.00 C ATOM 269 OE1 GLU A 31 -8.462 -7.201 -7.144 1.00 0.00 O ATOM 270 OE2 GLU A 31 -7.108 -8.830 -6.611 1.00 0.00 O ATOM 0 H GLU A 31 -4.885 -4.010 -8.702 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.492 -4.692 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.689 -6.320 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.742 -5.500 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.614 -7.153 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.901 -5.979 -5.376 1.00 0.00 H new ATOM 277 N LEU A 32 -5.675 -3.096 -5.633 1.00 0.00 N ATOM 278 CA LEU A 32 -5.754 -2.331 -4.397 1.00 0.00 C ATOM 279 C LEU A 32 -6.675 -1.128 -4.561 1.00 0.00 C ATOM 280 O LEU A 32 -7.422 -0.777 -3.650 1.00 0.00 O ATOM 281 CB LEU A 32 -4.360 -1.872 -3.969 1.00 0.00 C ATOM 282 CG LEU A 32 -3.461 -2.974 -3.413 1.00 0.00 C ATOM 283 CD1 LEU A 32 -2.010 -2.520 -3.385 1.00 0.00 C ATOM 284 CD2 LEU A 32 -3.919 -3.383 -2.023 1.00 0.00 C ATOM 0 H LEU A 32 -4.741 -3.147 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.168 -2.977 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.864 -1.417 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.466 -1.094 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.535 -3.841 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.386 -3.320 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.685 -2.277 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.917 -1.637 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.267 -4.169 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.875 -2.521 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.943 -3.753 -2.071 1.00 0.00 H new ATOM 296 N GLU A 33 -6.617 -0.505 -5.731 1.00 0.00 N ATOM 297 CA GLU A 33 -7.436 0.646 -6.028 1.00 0.00 C ATOM 298 C GLU A 33 -8.908 0.277 -6.070 1.00 0.00 C ATOM 299 O GLU A 33 -9.737 0.925 -5.435 1.00 0.00 O ATOM 300 CB GLU A 33 -7.022 1.223 -7.372 1.00 0.00 C ATOM 301 CG GLU A 33 -6.152 2.460 -7.270 1.00 0.00 C ATOM 302 CD GLU A 33 -6.583 3.558 -8.219 1.00 0.00 C ATOM 303 OE1 GLU A 33 -6.586 3.328 -9.445 1.00 0.00 O ATOM 304 OE2 GLU A 33 -6.918 4.662 -7.742 1.00 0.00 O ATOM 0 H GLU A 33 -6.001 -0.788 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.291 1.384 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.485 0.459 -7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.918 1.468 -7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.182 2.837 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.117 2.190 -7.480 1.00 0.00 H new ATOM 311 N LYS A 34 -9.229 -0.776 -6.812 1.00 0.00 N ATOM 312 CA LYS A 34 -10.610 -1.208 -6.953 1.00 0.00 C ATOM 313 C LYS A 34 -11.173 -1.697 -5.625 1.00 0.00 C ATOM 314 O LYS A 34 -12.298 -1.353 -5.267 1.00 0.00 O ATOM 315 CB LYS A 34 -10.728 -2.307 -8.010 1.00 0.00 C ATOM 316 CG LYS A 34 -12.162 -2.630 -8.402 1.00 0.00 C ATOM 317 CD LYS A 34 -12.220 -3.716 -9.461 1.00 0.00 C ATOM 318 CE LYS A 34 -13.623 -4.273 -9.617 1.00 0.00 C ATOM 319 NZ LYS A 34 -14.483 -3.400 -10.459 1.00 0.00 N ATOM 0 H LYS A 34 -8.553 -1.343 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.194 -0.346 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.178 -2.003 -8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.251 -3.212 -7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.718 -2.950 -7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.649 -1.730 -8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.880 -3.313 -10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.536 -4.522 -9.194 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.570 -5.267 -10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.078 -4.388 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.431 -3.819 -10.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.556 -2.459 -10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.064 -3.310 -11.407 1.00 0.00 H new ATOM 333 N GLU A 35 -10.384 -2.477 -4.892 1.00 0.00 N ATOM 334 CA GLU A 35 -10.824 -3.010 -3.609 1.00 0.00 C ATOM 335 C GLU A 35 -11.128 -1.899 -2.618 1.00 0.00 C ATOM 336 O GLU A 35 -12.151 -1.939 -1.945 1.00 0.00 O ATOM 337 CB GLU A 35 -9.778 -3.955 -3.014 1.00 0.00 C ATOM 338 CG GLU A 35 -9.641 -5.267 -3.766 1.00 0.00 C ATOM 339 CD GLU A 35 -10.956 -5.998 -3.912 1.00 0.00 C ATOM 340 OE1 GLU A 35 -11.429 -6.591 -2.919 1.00 0.00 O ATOM 341 OE2 GLU A 35 -11.517 -5.999 -5.028 1.00 0.00 O ATOM 0 H GLU A 35 -9.440 -2.753 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.741 -3.569 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.812 -3.451 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.040 -4.166 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.227 -5.072 -4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.930 -5.908 -3.244 1.00 0.00 H new ATOM 348 N PHE A 36 -10.253 -0.902 -2.548 1.00 0.00 N ATOM 349 CA PHE A 36 -10.436 0.207 -1.623 1.00 0.00 C ATOM 350 C PHE A 36 -11.601 1.097 -2.050 1.00 0.00 C ATOM 351 O PHE A 36 -12.371 1.566 -1.215 1.00 0.00 O ATOM 352 CB PHE A 36 -9.149 1.022 -1.534 1.00 0.00 C ATOM 353 CG PHE A 36 -9.208 2.152 -0.548 1.00 0.00 C ATOM 354 CD1 PHE A 36 -9.417 1.911 0.800 1.00 0.00 C ATOM 355 CD2 PHE A 36 -9.047 3.457 -0.976 1.00 0.00 C ATOM 356 CE1 PHE A 36 -9.463 2.955 1.707 1.00 0.00 C ATOM 357 CE2 PHE A 36 -9.093 4.508 -0.077 1.00 0.00 C ATOM 358 CZ PHE A 36 -9.301 4.255 1.266 1.00 0.00 C ATOM 0 H PHE A 36 -9.411 -0.840 -3.121 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.673 -0.200 -0.640 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.329 0.358 -1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.918 1.425 -2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.546 0.896 1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.883 3.658 -2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.625 2.755 2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.967 5.523 -0.424 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.337 5.073 1.970 1.00 0.00 H new ATOM 368 N LEU A 37 -11.726 1.328 -3.351 1.00 0.00 N ATOM 369 CA LEU A 37 -12.802 2.162 -3.876 1.00 0.00 C ATOM 370 C LEU A 37 -14.153 1.487 -3.678 1.00 0.00 C ATOM 371 O LEU A 37 -15.144 2.136 -3.332 1.00 0.00 O ATOM 372 CB LEU A 37 -12.579 2.458 -5.360 1.00 0.00 C ATOM 373 CG LEU A 37 -11.496 3.493 -5.663 1.00 0.00 C ATOM 374 CD1 LEU A 37 -11.249 3.582 -7.159 1.00 0.00 C ATOM 375 CD2 LEU A 37 -11.881 4.854 -5.103 1.00 0.00 C ATOM 0 H LEU A 37 -11.098 0.951 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.798 3.103 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.320 1.527 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.519 2.803 -5.790 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.573 3.174 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.475 4.324 -7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.925 2.611 -7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.170 3.876 -7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.096 5.576 -5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.817 5.182 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.006 4.781 -4.023 1.00 0.00 H new ATOM 387 N PHE A 38 -14.174 0.178 -3.888 1.00 0.00 N ATOM 388 CA PHE A 38 -15.387 -0.610 -3.745 1.00 0.00 C ATOM 389 C PHE A 38 -15.718 -0.836 -2.278 1.00 0.00 C ATOM 390 O PHE A 38 -16.843 -0.601 -1.840 1.00 0.00 O ATOM 391 CB PHE A 38 -15.206 -1.958 -4.434 1.00 0.00 C ATOM 392 CG PHE A 38 -16.415 -2.420 -5.194 1.00 0.00 C ATOM 393 CD1 PHE A 38 -17.487 -2.994 -4.535 1.00 0.00 C ATOM 394 CD2 PHE A 38 -16.477 -2.280 -6.571 1.00 0.00 C ATOM 395 CE1 PHE A 38 -18.601 -3.420 -5.232 1.00 0.00 C ATOM 396 CE2 PHE A 38 -17.587 -2.706 -7.273 1.00 0.00 C ATOM 397 CZ PHE A 38 -18.650 -3.276 -6.603 1.00 0.00 C ATOM 0 H PHE A 38 -13.354 -0.364 -4.161 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.208 -0.062 -4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.361 -1.894 -5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.952 -2.707 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -17.453 -3.111 -3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.649 -1.833 -7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -19.432 -3.865 -4.705 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -17.623 -2.593 -8.346 1.00 0.00 H new ATOM 0 HZ PHE A 38 -19.519 -3.609 -7.151 1.00 0.00 H new ATOM 407 N ASN A 39 -14.720 -1.272 -1.536 1.00 0.00 N ATOM 408 CA ASN A 39 -14.861 -1.561 -0.122 1.00 0.00 C ATOM 409 C ASN A 39 -13.831 -0.764 0.656 1.00 0.00 C ATOM 410 O ASN A 39 -12.677 -1.168 0.774 1.00 0.00 O ATOM 411 CB ASN A 39 -14.668 -3.057 0.151 1.00 0.00 C ATOM 412 CG ASN A 39 -15.376 -3.938 -0.860 1.00 0.00 C ATOM 413 OD1 ASN A 39 -14.656 -4.336 -1.899 1.00 0.00 O flip ATOM 414 ND2 ASN A 39 -16.552 -4.269 -0.701 1.00 0.00 N flip ATOM 0 H ASN A 39 -13.781 -1.437 -1.899 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.866 -1.281 0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.603 -3.288 0.144 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.038 -3.289 1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -17.069 -3.939 0.114 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -17.009 -4.873 -1.384 1.00 0.00 H new ATOM 421 N MET A 40 -14.258 0.377 1.159 1.00 0.00 N ATOM 422 CA MET A 40 -13.397 1.266 1.930 1.00 0.00 C ATOM 423 C MET A 40 -12.840 0.571 3.168 1.00 0.00 C ATOM 424 O MET A 40 -11.804 0.967 3.710 1.00 0.00 O ATOM 425 CB MET A 40 -14.179 2.511 2.325 1.00 0.00 C ATOM 426 CG MET A 40 -14.417 3.454 1.162 1.00 0.00 C ATOM 427 SD MET A 40 -15.308 4.948 1.640 1.00 0.00 S ATOM 428 CE MET A 40 -16.880 4.255 2.153 1.00 0.00 C ATOM 0 H MET A 40 -15.212 0.719 1.047 1.00 0.00 H new ATOM 0 HA MET A 40 -12.549 1.550 1.307 1.00 0.00 H new ATOM 0 HB2 MET A 40 -15.139 2.212 2.746 1.00 0.00 H new ATOM 0 HB3 MET A 40 -13.638 3.040 3.110 1.00 0.00 H new ATOM 0 HG2 MET A 40 -13.458 3.733 0.725 1.00 0.00 H new ATOM 0 HG3 MET A 40 -14.980 2.933 0.388 1.00 0.00 H new ATOM 0 HE1 MET A 40 -17.631 5.044 2.188 1.00 0.00 H new ATOM 0 HE2 MET A 40 -17.190 3.490 1.441 1.00 0.00 H new ATOM 0 HE3 MET A 40 -16.776 3.810 3.142 1.00 0.00 H new ATOM 438 N TYR A 41 -13.539 -0.454 3.615 1.00 0.00 N ATOM 439 CA TYR A 41 -13.114 -1.222 4.765 1.00 0.00 C ATOM 440 C TYR A 41 -13.108 -2.697 4.432 1.00 0.00 C ATOM 441 O TYR A 41 -13.908 -3.177 3.627 1.00 0.00 O ATOM 442 CB TYR A 41 -14.005 -0.941 5.969 1.00 0.00 C ATOM 443 CG TYR A 41 -13.634 -1.699 7.226 1.00 0.00 C ATOM 444 CD1 TYR A 41 -12.478 -1.385 7.929 1.00 0.00 C ATOM 445 CD2 TYR A 41 -14.442 -2.718 7.712 1.00 0.00 C ATOM 446 CE1 TYR A 41 -12.137 -2.066 9.080 1.00 0.00 C ATOM 447 CE2 TYR A 41 -14.105 -3.403 8.863 1.00 0.00 C ATOM 448 CZ TYR A 41 -12.952 -3.073 9.541 1.00 0.00 C ATOM 449 OH TYR A 41 -12.614 -3.754 10.689 1.00 0.00 O ATOM 0 H TYR A 41 -14.411 -0.775 3.194 1.00 0.00 H new ATOM 0 HA TYR A 41 -12.100 -0.920 5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.975 0.127 6.184 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.034 -1.184 5.706 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -11.835 -0.595 7.569 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -15.347 -2.979 7.183 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.235 -1.809 9.616 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.743 -4.194 9.230 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.295 -4.433 10.879 1.00 0.00 H new ATOM 459 N LEU A 42 -12.202 -3.403 5.066 1.00 0.00 N ATOM 460 CA LEU A 42 -12.035 -4.821 4.852 1.00 0.00 C ATOM 461 C LEU A 42 -11.891 -5.539 6.175 1.00 0.00 C ATOM 462 O LEU A 42 -11.673 -4.920 7.218 1.00 0.00 O ATOM 463 CB LEU A 42 -10.791 -5.100 4.006 1.00 0.00 C ATOM 464 CG LEU A 42 -10.930 -4.859 2.501 1.00 0.00 C ATOM 465 CD1 LEU A 42 -10.733 -3.391 2.163 1.00 0.00 C ATOM 466 CD2 LEU A 42 -9.932 -5.716 1.737 1.00 0.00 C ATOM 0 H LEU A 42 -11.556 -3.007 5.749 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.919 -5.184 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.977 -4.479 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.497 -6.138 4.161 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.940 -5.142 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.837 -3.248 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.483 -2.794 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.738 -3.076 2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.041 -5.535 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.919 -5.459 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.120 -6.769 1.948 1.00 0.00 H new ATOM 478 N THR A 43 -11.990 -6.843 6.112 1.00 0.00 N ATOM 479 CA THR A 43 -11.864 -7.686 7.280 1.00 0.00 C ATOM 480 C THR A 43 -10.441 -8.217 7.385 1.00 0.00 C ATOM 481 O THR A 43 -9.647 -8.067 6.454 1.00 0.00 O ATOM 482 CB THR A 43 -12.846 -8.865 7.205 1.00 0.00 C ATOM 483 OG1 THR A 43 -12.939 -9.328 5.853 1.00 0.00 O ATOM 484 CG2 THR A 43 -14.224 -8.459 7.707 1.00 0.00 C ATOM 0 H THR A 43 -12.161 -7.355 5.246 1.00 0.00 H new ATOM 0 HA THR A 43 -12.097 -7.089 8.162 1.00 0.00 H new ATOM 0 HB THR A 43 -12.473 -9.667 7.842 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.564 -10.081 5.807 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.900 -9.312 7.643 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.151 -8.130 8.744 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.609 -7.644 7.094 1.00 0.00 H new ATOM 492 N ARG A 44 -10.131 -8.844 8.507 1.00 0.00 N ATOM 493 CA ARG A 44 -8.809 -9.402 8.745 1.00 0.00 C ATOM 494 C ARG A 44 -8.462 -10.468 7.713 1.00 0.00 C ATOM 495 O ARG A 44 -7.404 -10.422 7.085 1.00 0.00 O ATOM 496 CB ARG A 44 -8.747 -10.014 10.142 1.00 0.00 C ATOM 497 CG ARG A 44 -8.547 -8.998 11.250 1.00 0.00 C ATOM 498 CD ARG A 44 -8.420 -9.676 12.604 1.00 0.00 C ATOM 499 NE ARG A 44 -8.565 -8.729 13.707 1.00 0.00 N ATOM 500 CZ ARG A 44 -8.074 -8.924 14.927 1.00 0.00 C ATOM 501 NH1 ARG A 44 -7.370 -10.017 15.205 1.00 0.00 N ATOM 502 NH2 ARG A 44 -8.281 -8.014 15.869 1.00 0.00 N ATOM 0 H ARG A 44 -10.786 -8.981 9.277 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.085 -8.592 8.661 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.670 -10.563 10.329 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.933 -10.738 10.175 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.651 -8.410 11.050 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.387 -8.304 11.266 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.178 -10.454 12.692 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.450 -10.167 12.674 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.075 -7.864 13.530 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.203 -10.714 14.479 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.997 -10.158 16.144 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.814 -7.171 15.655 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.907 -8.157 16.807 1.00 0.00 H new ATOM 516 N ASP A 45 -9.362 -11.421 7.544 1.00 0.00 N ATOM 517 CA ASP A 45 -9.156 -12.519 6.599 1.00 0.00 C ATOM 518 C ASP A 45 -9.099 -12.024 5.170 1.00 0.00 C ATOM 519 O ASP A 45 -8.261 -12.467 4.385 1.00 0.00 O ATOM 520 CB ASP A 45 -10.261 -13.560 6.735 1.00 0.00 C ATOM 521 CG ASP A 45 -9.918 -14.851 6.022 1.00 0.00 C ATOM 522 OD1 ASP A 45 -9.185 -15.679 6.602 1.00 0.00 O ATOM 523 OD2 ASP A 45 -10.383 -15.047 4.880 1.00 0.00 O ATOM 0 H ASP A 45 -10.248 -11.462 8.048 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.197 -12.976 6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.437 -13.765 7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.189 -13.158 6.329 1.00 0.00 H new ATOM 528 N ARG A 46 -9.992 -11.111 4.832 1.00 0.00 N ATOM 529 CA ARG A 46 -10.028 -10.559 3.485 1.00 0.00 C ATOM 530 C ARG A 46 -8.732 -9.816 3.189 1.00 0.00 C ATOM 531 O ARG A 46 -8.167 -9.947 2.105 1.00 0.00 O ATOM 532 CB ARG A 46 -11.221 -9.622 3.301 1.00 0.00 C ATOM 533 CG ARG A 46 -11.439 -9.204 1.858 1.00 0.00 C ATOM 534 CD ARG A 46 -12.570 -8.200 1.733 1.00 0.00 C ATOM 535 NE ARG A 46 -13.882 -8.830 1.839 1.00 0.00 N ATOM 536 CZ ARG A 46 -14.918 -8.526 1.060 1.00 0.00 C ATOM 537 NH1 ARG A 46 -14.798 -7.601 0.112 1.00 0.00 N ATOM 538 NH2 ARG A 46 -16.077 -9.150 1.233 1.00 0.00 N ATOM 0 H ARG A 46 -10.699 -10.737 5.465 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.137 -11.387 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.121 -10.114 3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.072 -8.731 3.912 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.521 -8.770 1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.663 -10.083 1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.469 -7.443 2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.492 -7.686 0.775 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.013 -9.547 2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.909 -7.120 -0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.595 -7.373 -0.482 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.171 -9.859 1.960 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.874 -8.920 0.639 1.00 0.00 H new ATOM 552 N ARG A 47 -8.254 -9.048 4.161 1.00 0.00 N ATOM 553 CA ARG A 47 -7.011 -8.306 4.000 1.00 0.00 C ATOM 554 C ARG A 47 -5.849 -9.273 3.838 1.00 0.00 C ATOM 555 O ARG A 47 -4.967 -9.063 3.006 1.00 0.00 O ATOM 556 CB ARG A 47 -6.777 -7.391 5.201 1.00 0.00 C ATOM 557 CG ARG A 47 -5.548 -6.508 5.066 1.00 0.00 C ATOM 558 CD ARG A 47 -5.197 -5.845 6.387 1.00 0.00 C ATOM 559 NE ARG A 47 -4.951 -6.829 7.443 1.00 0.00 N ATOM 560 CZ ARG A 47 -5.152 -6.605 8.739 1.00 0.00 C ATOM 561 NH1 ARG A 47 -5.626 -5.434 9.151 1.00 0.00 N ATOM 562 NH2 ARG A 47 -4.883 -7.563 9.616 1.00 0.00 N ATOM 0 H ARG A 47 -8.707 -8.923 5.066 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.084 -7.687 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.654 -6.759 5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.678 -8.002 6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.704 -7.106 4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.728 -5.744 4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.311 -5.223 6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.009 -5.184 6.689 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.602 -7.747 7.167 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.837 -4.702 8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.778 -5.267 10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.525 -8.463 9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.034 -7.400 10.612 1.00 0.00 H new ATOM 576 N TYR A 48 -5.868 -10.339 4.630 1.00 0.00 N ATOM 577 CA TYR A 48 -4.829 -11.352 4.561 1.00 0.00 C ATOM 578 C TYR A 48 -4.872 -12.048 3.206 1.00 0.00 C ATOM 579 O TYR A 48 -3.838 -12.359 2.625 1.00 0.00 O ATOM 580 CB TYR A 48 -4.989 -12.381 5.685 1.00 0.00 C ATOM 581 CG TYR A 48 -3.948 -13.477 5.632 1.00 0.00 C ATOM 582 CD1 TYR A 48 -2.623 -13.214 5.950 1.00 0.00 C ATOM 583 CD2 TYR A 48 -4.289 -14.767 5.248 1.00 0.00 C ATOM 584 CE1 TYR A 48 -1.665 -14.205 5.887 1.00 0.00 C ATOM 585 CE2 TYR A 48 -3.335 -15.766 5.186 1.00 0.00 C ATOM 586 CZ TYR A 48 -2.024 -15.480 5.507 1.00 0.00 C ATOM 587 OH TYR A 48 -1.066 -16.467 5.435 1.00 0.00 O ATOM 0 H TYR A 48 -6.592 -10.521 5.325 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.864 -10.861 4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.926 -11.873 6.647 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.982 -12.827 5.624 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.337 -12.217 6.252 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.314 -14.993 4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.638 -13.982 6.135 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.615 -16.766 4.888 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.483 -17.308 5.153 1.00 0.00 H new ATOM 597 N GLU A 49 -6.080 -12.269 2.705 1.00 0.00 N ATOM 598 CA GLU A 49 -6.270 -12.919 1.415 1.00 0.00 C ATOM 599 C GLU A 49 -5.734 -12.038 0.305 1.00 0.00 C ATOM 600 O GLU A 49 -4.962 -12.490 -0.534 1.00 0.00 O ATOM 601 CB GLU A 49 -7.749 -13.211 1.181 1.00 0.00 C ATOM 602 CG GLU A 49 -8.009 -14.140 0.007 1.00 0.00 C ATOM 603 CD GLU A 49 -9.387 -14.761 0.047 1.00 0.00 C ATOM 604 OE1 GLU A 49 -10.388 -14.015 0.067 1.00 0.00 O ATOM 605 OE2 GLU A 49 -9.476 -16.005 0.055 1.00 0.00 O ATOM 0 H GLU A 49 -6.947 -12.006 3.175 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.723 -13.862 1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.170 -13.654 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.274 -12.271 1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.893 -13.584 -0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.259 -14.931 0.002 1.00 0.00 H new ATOM 612 N VAL A 50 -6.158 -10.785 0.307 1.00 0.00 N ATOM 613 CA VAL A 50 -5.701 -9.823 -0.683 1.00 0.00 C ATOM 614 C VAL A 50 -4.177 -9.743 -0.659 1.00 0.00 C ATOM 615 O VAL A 50 -3.523 -9.762 -1.705 1.00 0.00 O ATOM 616 CB VAL A 50 -6.305 -8.424 -0.434 1.00 0.00 C ATOM 617 CG1 VAL A 50 -5.661 -7.383 -1.335 1.00 0.00 C ATOM 618 CG2 VAL A 50 -7.812 -8.447 -0.638 1.00 0.00 C ATOM 0 H VAL A 50 -6.820 -10.409 0.986 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.036 -10.162 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.100 -8.149 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.105 -6.407 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.590 -7.341 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.825 -7.653 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.219 -7.452 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.036 -8.751 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.263 -9.155 0.058 1.00 0.00 H new ATOM 628 N ALA A 51 -3.622 -9.678 0.545 1.00 0.00 N ATOM 629 CA ALA A 51 -2.178 -9.625 0.724 1.00 0.00 C ATOM 630 C ALA A 51 -1.527 -10.901 0.202 1.00 0.00 C ATOM 631 O ALA A 51 -0.491 -10.854 -0.462 1.00 0.00 O ATOM 632 CB ALA A 51 -1.836 -9.418 2.188 1.00 0.00 C ATOM 0 H ALA A 51 -4.154 -9.661 1.415 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.790 -8.782 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.753 -9.380 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.272 -8.481 2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.237 -10.244 2.776 1.00 0.00 H new ATOM 638 N ARG A 52 -2.156 -12.034 0.497 1.00 0.00 N ATOM 639 CA ARG A 52 -1.666 -13.336 0.065 1.00 0.00 C ATOM 640 C ARG A 52 -1.644 -13.410 -1.449 1.00 0.00 C ATOM 641 O ARG A 52 -0.663 -13.849 -2.051 1.00 0.00 O ATOM 642 CB ARG A 52 -2.573 -14.425 0.612 1.00 0.00 C ATOM 643 CG ARG A 52 -1.856 -15.726 0.917 1.00 0.00 C ATOM 644 CD ARG A 52 -2.798 -16.729 1.551 1.00 0.00 C ATOM 645 NE ARG A 52 -2.082 -17.795 2.240 1.00 0.00 N ATOM 646 CZ ARG A 52 -2.660 -18.669 3.059 1.00 0.00 C ATOM 647 NH1 ARG A 52 -3.974 -18.634 3.253 1.00 0.00 N ATOM 648 NH2 ARG A 52 -1.926 -19.578 3.682 1.00 0.00 N ATOM 0 H ARG A 52 -3.018 -12.075 1.041 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.653 -13.477 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.051 -14.063 1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.367 -14.619 -0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.442 -16.141 -0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.018 -15.535 1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.451 -16.216 2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.438 -17.161 0.782 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.077 -17.876 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.542 -17.936 2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.415 -19.306 3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.917 -19.608 3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.369 -20.248 4.310 1.00 0.00 H new ATOM 662 N VAL A 53 -2.743 -12.983 -2.052 1.00 0.00 N ATOM 663 CA VAL A 53 -2.875 -12.965 -3.505 1.00 0.00 C ATOM 664 C VAL A 53 -1.796 -12.079 -4.132 1.00 0.00 C ATOM 665 O VAL A 53 -1.243 -12.399 -5.187 1.00 0.00 O ATOM 666 CB VAL A 53 -4.273 -12.461 -3.933 1.00 0.00 C ATOM 667 CG1 VAL A 53 -4.344 -12.252 -5.437 1.00 0.00 C ATOM 668 CG2 VAL A 53 -5.356 -13.431 -3.481 1.00 0.00 C ATOM 0 H VAL A 53 -3.565 -12.641 -1.554 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.751 -13.988 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.443 -11.499 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.338 -11.898 -5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.601 -11.513 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.144 -13.195 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.332 -13.058 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.181 -14.408 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.332 -13.523 -2.395 1.00 0.00 H new ATOM 678 N LEU A 54 -1.469 -10.988 -3.454 1.00 0.00 N ATOM 679 CA LEU A 54 -0.460 -10.056 -3.936 1.00 0.00 C ATOM 680 C LEU A 54 0.941 -10.514 -3.541 1.00 0.00 C ATOM 681 O LEU A 54 1.922 -9.823 -3.804 1.00 0.00 O ATOM 682 CB LEU A 54 -0.725 -8.659 -3.374 1.00 0.00 C ATOM 683 CG LEU A 54 -1.970 -7.956 -3.921 1.00 0.00 C ATOM 684 CD1 LEU A 54 -2.158 -6.610 -3.241 1.00 0.00 C ATOM 685 CD2 LEU A 54 -1.869 -7.785 -5.430 1.00 0.00 C ATOM 0 H LEU A 54 -1.891 -10.726 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.519 -10.026 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.817 -8.733 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.144 -8.033 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.840 -8.576 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.047 -6.122 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.276 -6.758 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.286 -5.983 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.763 -7.283 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.991 -7.185 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.780 -8.764 -5.902 1.00 0.00 H new ATOM 697 N ASN A 55 1.016 -11.682 -2.902 1.00 0.00 N ATOM 698 CA ASN A 55 2.279 -12.264 -2.463 1.00 0.00 C ATOM 699 C ASN A 55 3.029 -11.304 -1.539 1.00 0.00 C ATOM 700 O ASN A 55 4.255 -11.185 -1.585 1.00 0.00 O ATOM 701 CB ASN A 55 3.112 -12.635 -3.687 1.00 0.00 C ATOM 702 CG ASN A 55 4.384 -13.395 -3.353 1.00 0.00 C ATOM 703 OD1 ASN A 55 5.478 -13.002 -3.754 1.00 0.00 O ATOM 704 ND2 ASN A 55 4.253 -14.497 -2.631 1.00 0.00 N ATOM 0 H ASN A 55 0.200 -12.250 -2.675 1.00 0.00 H new ATOM 0 HA ASN A 55 2.083 -13.169 -1.888 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.504 -13.240 -4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.374 -11.725 -4.226 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.076 -15.050 -2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.329 -14.793 -2.315 1.00 0.00 H new ATOM 711 N LEU A 56 2.276 -10.612 -0.698 1.00 0.00 N ATOM 712 CA LEU A 56 2.857 -9.669 0.243 1.00 0.00 C ATOM 713 C LEU A 56 2.235 -9.817 1.618 1.00 0.00 C ATOM 714 O LEU A 56 1.421 -10.715 1.853 1.00 0.00 O ATOM 715 CB LEU A 56 2.691 -8.234 -0.262 1.00 0.00 C ATOM 716 CG LEU A 56 3.786 -7.772 -1.223 1.00 0.00 C ATOM 717 CD1 LEU A 56 3.241 -6.783 -2.238 1.00 0.00 C ATOM 718 CD2 LEU A 56 4.946 -7.161 -0.450 1.00 0.00 C ATOM 0 H LEU A 56 1.260 -10.686 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 56 3.921 -9.891 0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.726 -8.147 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.669 -7.561 0.595 1.00 0.00 H new ATOM 0 HG LEU A 56 4.150 -8.644 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.042 -6.471 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.447 -7.255 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.843 -5.911 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.718 -6.837 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.591 -6.304 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.361 -7.904 0.231 1.00 0.00 H new ATOM 730 N THR A 57 2.622 -8.932 2.519 1.00 0.00 N ATOM 731 CA THR A 57 2.125 -8.946 3.881 1.00 0.00 C ATOM 732 C THR A 57 0.844 -8.129 3.992 1.00 0.00 C ATOM 733 O THR A 57 0.525 -7.337 3.099 1.00 0.00 O ATOM 734 CB THR A 57 3.180 -8.375 4.850 1.00 0.00 C ATOM 735 OG1 THR A 57 3.719 -7.154 4.316 1.00 0.00 O ATOM 736 CG2 THR A 57 4.303 -9.378 5.079 1.00 0.00 C ATOM 0 H THR A 57 3.289 -8.185 2.326 1.00 0.00 H new ATOM 0 HA THR A 57 1.915 -9.981 4.150 1.00 0.00 H new ATOM 0 HB THR A 57 2.698 -8.173 5.806 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.388 -6.793 4.935 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.035 -8.954 5.766 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.892 -10.293 5.506 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.786 -9.606 4.129 1.00 0.00 H new ATOM 744 N GLU A 58 0.115 -8.317 5.084 1.00 0.00 N ATOM 745 CA GLU A 58 -1.124 -7.587 5.315 1.00 0.00 C ATOM 746 C GLU A 58 -0.810 -6.111 5.462 1.00 0.00 C ATOM 747 O GLU A 58 -1.619 -5.248 5.122 1.00 0.00 O ATOM 748 CB GLU A 58 -1.829 -8.102 6.570 1.00 0.00 C ATOM 749 CG GLU A 58 -2.259 -9.554 6.476 1.00 0.00 C ATOM 750 CD GLU A 58 -2.823 -10.068 7.780 1.00 0.00 C ATOM 751 OE1 GLU A 58 -3.927 -9.630 8.163 1.00 0.00 O ATOM 752 OE2 GLU A 58 -2.163 -10.903 8.436 1.00 0.00 O ATOM 0 H GLU A 58 0.362 -8.972 5.826 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.791 -7.738 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.163 -7.984 7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.706 -7.484 6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.008 -9.659 5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.405 -10.166 6.185 1.00 0.00 H new ATOM 759 N ARG A 59 0.386 -5.844 5.971 1.00 0.00 N ATOM 760 CA ARG A 59 0.870 -4.493 6.165 1.00 0.00 C ATOM 761 C ARG A 59 0.892 -3.739 4.842 1.00 0.00 C ATOM 762 O ARG A 59 0.592 -2.546 4.799 1.00 0.00 O ATOM 763 CB ARG A 59 2.273 -4.534 6.776 1.00 0.00 C ATOM 764 CG ARG A 59 2.872 -3.169 7.053 1.00 0.00 C ATOM 765 CD ARG A 59 4.349 -3.285 7.390 1.00 0.00 C ATOM 766 NE ARG A 59 4.842 -2.111 8.104 1.00 0.00 N ATOM 767 CZ ARG A 59 5.561 -2.168 9.225 1.00 0.00 C ATOM 768 NH1 ARG A 59 5.895 -3.342 9.751 1.00 0.00 N ATOM 769 NH2 ARG A 59 5.953 -1.049 9.814 1.00 0.00 N ATOM 0 H ARG A 59 1.047 -6.565 6.261 1.00 0.00 H new ATOM 0 HA ARG A 59 0.198 -3.970 6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.234 -5.097 7.708 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.935 -5.078 6.102 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.743 -2.527 6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.342 -2.695 7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.513 -4.174 7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.921 -3.417 6.472 1.00 0.00 H new ATOM 0 HE ARG A 59 4.623 -1.191 7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.601 -4.207 9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.445 -3.378 10.609 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.705 -0.146 9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.503 -1.090 10.672 1.00 0.00 H new ATOM 783 N GLN A 60 1.215 -4.445 3.762 1.00 0.00 N ATOM 784 CA GLN A 60 1.271 -3.828 2.450 1.00 0.00 C ATOM 785 C GLN A 60 -0.092 -3.248 2.079 1.00 0.00 C ATOM 786 O GLN A 60 -0.189 -2.131 1.569 1.00 0.00 O ATOM 787 CB GLN A 60 1.743 -4.857 1.414 1.00 0.00 C ATOM 788 CG GLN A 60 0.821 -5.019 0.219 1.00 0.00 C ATOM 789 CD GLN A 60 1.224 -4.147 -0.956 1.00 0.00 C ATOM 790 OE1 GLN A 60 1.871 -3.112 -0.789 1.00 0.00 O ATOM 791 NE2 GLN A 60 0.830 -4.549 -2.149 1.00 0.00 N ATOM 0 H GLN A 60 1.440 -5.440 3.774 1.00 0.00 H new ATOM 0 HA GLN A 60 1.987 -3.006 2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.731 -4.567 1.057 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.853 -5.824 1.905 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.818 -6.063 -0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.198 -4.772 0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.296 -5.412 -2.245 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.060 -3.996 -2.975 1.00 0.00 H new ATOM 800 N VAL A 61 -1.141 -4.001 2.388 1.00 0.00 N ATOM 801 CA VAL A 61 -2.504 -3.588 2.081 1.00 0.00 C ATOM 802 C VAL A 61 -2.977 -2.523 3.063 1.00 0.00 C ATOM 803 O VAL A 61 -3.532 -1.498 2.671 1.00 0.00 O ATOM 804 CB VAL A 61 -3.473 -4.790 2.123 1.00 0.00 C ATOM 805 CG1 VAL A 61 -4.863 -4.387 1.655 1.00 0.00 C ATOM 806 CG2 VAL A 61 -2.937 -5.944 1.288 1.00 0.00 C ATOM 0 H VAL A 61 -1.072 -4.906 2.854 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.501 -3.173 1.073 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.550 -5.124 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.525 -5.252 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.252 -3.602 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.809 -4.018 0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.635 -6.780 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.822 -5.621 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.970 -6.258 1.680 1.00 0.00 H new ATOM 816 N LYS A 62 -2.725 -2.777 4.341 1.00 0.00 N ATOM 817 CA LYS A 62 -3.120 -1.874 5.419 1.00 0.00 C ATOM 818 C LYS A 62 -2.554 -0.474 5.218 1.00 0.00 C ATOM 819 O LYS A 62 -3.265 0.525 5.334 1.00 0.00 O ATOM 820 CB LYS A 62 -2.605 -2.431 6.745 1.00 0.00 C ATOM 821 CG LYS A 62 -3.528 -2.177 7.921 1.00 0.00 C ATOM 822 CD LYS A 62 -2.896 -2.626 9.229 1.00 0.00 C ATOM 823 CE LYS A 62 -3.807 -2.347 10.410 1.00 0.00 C ATOM 824 NZ LYS A 62 -3.175 -2.724 11.704 1.00 0.00 N ATOM 0 H LYS A 62 -2.241 -3.615 4.661 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.208 -1.803 5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.453 -3.505 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.631 -1.990 6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.766 -1.115 7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.468 -2.707 7.769 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.676 -3.693 9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.946 -2.111 9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.064 -1.288 10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.739 -2.899 10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.831 -2.517 12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.953 -3.740 11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.299 -2.179 11.834 1.00 0.00 H new ATOM 838 N ILE A 63 -1.273 -0.412 4.905 1.00 0.00 N ATOM 839 CA ILE A 63 -0.601 0.861 4.706 1.00 0.00 C ATOM 840 C ILE A 63 -0.961 1.496 3.367 1.00 0.00 C ATOM 841 O ILE A 63 -1.042 2.711 3.267 1.00 0.00 O ATOM 842 CB ILE A 63 0.928 0.702 4.826 1.00 0.00 C ATOM 843 CG1 ILE A 63 1.294 0.182 6.219 1.00 0.00 C ATOM 844 CG2 ILE A 63 1.646 2.015 4.534 1.00 0.00 C ATOM 845 CD1 ILE A 63 0.875 1.105 7.339 1.00 0.00 C ATOM 0 H ILE A 63 -0.675 -1.229 4.783 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.949 1.529 5.494 1.00 0.00 H new ATOM 0 HB ILE A 63 1.255 -0.024 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.827 -0.792 6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.372 0.030 6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.722 1.870 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.410 2.341 3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.320 2.774 5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.167 0.672 8.296 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.362 2.072 7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.207 1.238 7.316 1.00 0.00 H new ATOM 857 N TRP A 64 -1.186 0.682 2.340 1.00 0.00 N ATOM 858 CA TRP A 64 -1.536 1.222 1.027 1.00 0.00 C ATOM 859 C TRP A 64 -2.854 1.984 1.100 1.00 0.00 C ATOM 860 O TRP A 64 -2.986 3.077 0.545 1.00 0.00 O ATOM 861 CB TRP A 64 -1.638 0.110 -0.016 1.00 0.00 C ATOM 862 CG TRP A 64 -1.457 0.599 -1.422 1.00 0.00 C ATOM 863 CD1 TRP A 64 -0.288 0.655 -2.126 1.00 0.00 C ATOM 864 CD2 TRP A 64 -2.475 1.108 -2.295 1.00 0.00 C ATOM 865 NE1 TRP A 64 -0.515 1.166 -3.381 1.00 0.00 N ATOM 866 CE2 TRP A 64 -1.849 1.449 -3.509 1.00 0.00 C ATOM 867 CE3 TRP A 64 -3.854 1.307 -2.169 1.00 0.00 C ATOM 868 CZ2 TRP A 64 -2.555 1.981 -4.588 1.00 0.00 C ATOM 869 CZ3 TRP A 64 -4.553 1.831 -3.242 1.00 0.00 C ATOM 870 CH2 TRP A 64 -3.904 2.161 -4.436 1.00 0.00 C ATOM 0 H TRP A 64 -1.134 -0.336 2.387 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.743 1.906 0.725 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.885 -0.649 0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.611 -0.373 0.071 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.675 0.343 -1.751 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.194 1.311 -4.100 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.364 1.056 -1.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.056 2.241 -5.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.618 1.988 -3.156 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.479 2.566 -5.256 1.00 0.00 H new ATOM 881 N PHE A 65 -3.817 1.411 1.811 1.00 0.00 N ATOM 882 CA PHE A 65 -5.120 2.015 1.963 1.00 0.00 C ATOM 883 C PHE A 65 -5.034 3.307 2.756 1.00 0.00 C ATOM 884 O PHE A 65 -5.690 4.300 2.432 1.00 0.00 O ATOM 885 CB PHE A 65 -6.053 1.024 2.643 1.00 0.00 C ATOM 886 CG PHE A 65 -6.510 -0.094 1.746 1.00 0.00 C ATOM 887 CD1 PHE A 65 -6.197 -0.100 0.395 1.00 0.00 C ATOM 888 CD2 PHE A 65 -7.256 -1.141 2.259 1.00 0.00 C ATOM 889 CE1 PHE A 65 -6.618 -1.127 -0.425 1.00 0.00 C ATOM 890 CE2 PHE A 65 -7.680 -2.171 1.442 1.00 0.00 C ATOM 891 CZ PHE A 65 -7.363 -2.164 0.097 1.00 0.00 C ATOM 0 H PHE A 65 -3.711 0.519 2.294 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.514 2.264 0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.547 0.598 3.509 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.927 1.559 3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.616 0.710 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.509 -1.153 3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.364 -1.119 -1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.260 -2.983 1.855 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.697 -2.967 -0.543 1.00 0.00 H new ATOM 901 N GLN A 66 -4.205 3.292 3.775 1.00 0.00 N ATOM 902 CA GLN A 66 -4.006 4.447 4.620 1.00 0.00 C ATOM 903 C GLN A 66 -3.217 5.517 3.875 1.00 0.00 C ATOM 904 O GLN A 66 -3.481 6.715 4.014 1.00 0.00 O ATOM 905 CB GLN A 66 -3.269 4.014 5.878 1.00 0.00 C ATOM 906 CG GLN A 66 -4.066 4.212 7.151 1.00 0.00 C ATOM 907 CD GLN A 66 -5.538 3.885 6.985 1.00 0.00 C ATOM 908 OE1 GLN A 66 -6.337 4.737 6.601 1.00 0.00 O ATOM 909 NE2 GLN A 66 -5.907 2.651 7.282 1.00 0.00 N ATOM 0 H GLN A 66 -3.650 2.479 4.041 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.971 4.873 4.895 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.002 2.961 5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.337 4.574 5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.646 3.584 7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.964 5.246 7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.213 1.973 7.597 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.886 2.377 7.196 1.00 0.00 H new ATOM 918 N ASN A 67 -2.259 5.069 3.069 1.00 0.00 N ATOM 919 CA ASN A 67 -1.426 5.963 2.278 1.00 0.00 C ATOM 920 C ASN A 67 -2.291 6.737 1.295 1.00 0.00 C ATOM 921 O ASN A 67 -2.044 7.906 1.016 1.00 0.00 O ATOM 922 CB ASN A 67 -0.358 5.167 1.527 1.00 0.00 C ATOM 923 CG ASN A 67 0.918 5.956 1.306 1.00 0.00 C ATOM 924 OD1 ASN A 67 1.132 6.525 0.236 1.00 0.00 O ATOM 925 ND2 ASN A 67 1.774 5.999 2.320 1.00 0.00 N ATOM 0 H ASN A 67 -2.040 4.080 2.947 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.929 6.667 2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.127 4.261 2.087 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.757 4.853 0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.647 6.518 2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.558 5.513 3.191 1.00 0.00 H new ATOM 932 N ARG A 68 -3.319 6.069 0.785 1.00 0.00 N ATOM 933 CA ARG A 68 -4.253 6.689 -0.146 1.00 0.00 C ATOM 934 C ARG A 68 -5.007 7.818 0.554 1.00 0.00 C ATOM 935 O ARG A 68 -5.162 8.908 0.007 1.00 0.00 O ATOM 936 CB ARG A 68 -5.244 5.648 -0.685 1.00 0.00 C ATOM 937 CG ARG A 68 -6.292 6.222 -1.626 1.00 0.00 C ATOM 938 CD ARG A 68 -5.662 6.785 -2.889 1.00 0.00 C ATOM 939 NE ARG A 68 -6.668 7.287 -3.822 1.00 0.00 N ATOM 940 CZ ARG A 68 -6.980 6.690 -4.971 1.00 0.00 C ATOM 941 NH1 ARG A 68 -6.320 5.604 -5.357 1.00 0.00 N ATOM 942 NH2 ARG A 68 -7.943 7.187 -5.734 1.00 0.00 N ATOM 0 H ARG A 68 -3.527 5.094 1.002 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.692 7.099 -0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.689 4.869 -1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.748 5.171 0.156 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.008 5.444 -1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.849 7.008 -1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.977 7.591 -2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.070 6.010 -3.376 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.161 8.146 -3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.574 5.226 -4.773 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.560 5.147 -6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.444 8.026 -5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.183 6.731 -6.614 1.00 0.00 H new ATOM 956 N ARG A 69 -5.457 7.544 1.775 1.00 0.00 N ATOM 957 CA ARG A 69 -6.183 8.531 2.567 1.00 0.00 C ATOM 958 C ARG A 69 -5.279 9.708 2.915 1.00 0.00 C ATOM 959 O ARG A 69 -5.665 10.867 2.773 1.00 0.00 O ATOM 960 CB ARG A 69 -6.725 7.904 3.855 1.00 0.00 C ATOM 961 CG ARG A 69 -7.937 7.014 3.645 1.00 0.00 C ATOM 962 CD ARG A 69 -8.472 6.494 4.970 1.00 0.00 C ATOM 963 NE ARG A 69 -9.694 5.711 4.800 1.00 0.00 N ATOM 964 CZ ARG A 69 -9.816 4.433 5.158 1.00 0.00 C ATOM 965 NH1 ARG A 69 -8.797 3.806 5.736 1.00 0.00 N ATOM 966 NH2 ARG A 69 -10.962 3.795 4.950 1.00 0.00 N ATOM 0 H ARG A 69 -5.331 6.644 2.238 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.021 8.888 1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.934 7.319 4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.988 8.700 4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.717 7.573 3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.669 6.175 3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.712 5.879 5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.670 7.334 5.635 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.503 6.171 4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.922 4.303 5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.889 2.828 6.010 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.746 4.283 4.517 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.058 2.817 5.223 1.00 0.00 H new