USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=12 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 Single : A 25 THR OG1 : rot -11:sc= -0.249 USER MOD Single : A 26 LYS NZ :NH3+ -169:sc=-0.00308 (180deg=-0.096) USER MOD Single : A 27 TYR OH : rot -105:sc= 0.0736 USER MOD Single : A 28 GLN : amide:sc= -1.32 K(o=-1.3,f=-3.3!) USER MOD Single : A 29 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -0.019 (180deg=-0.2) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.456 F(o=-1.1,f=-0.46) USER MOD Single : A 40 MET CE :methyl -167:sc= 0 (180deg=-0.166) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 48 TYR OH : rot 0:sc= 0.959 USER MOD Single : A 55 ASN : amide:sc= -0.125 K(o=-0.12,f=-1.6!) USER MOD Single : A 57 THR OG1 : rot 90:sc= -1.46! USER MOD Single : A 60 GLN : amide:sc= -2.03! C(o=-2!,f=-3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.0178 F(o=-0.58,f=-0.018) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 155 N THR A 25 3.273 -2.161 -8.222 1.00 0.00 N ATOM 156 CA THR A 25 3.110 -2.316 -9.654 1.00 0.00 C ATOM 157 C THR A 25 1.794 -1.698 -10.105 1.00 0.00 C ATOM 158 O THR A 25 0.877 -1.530 -9.299 1.00 0.00 O ATOM 159 CB THR A 25 3.146 -3.805 -10.042 1.00 0.00 C ATOM 160 OG1 THR A 25 3.081 -4.613 -8.858 1.00 0.00 O ATOM 161 CG2 THR A 25 4.412 -4.137 -10.816 1.00 0.00 C ATOM 0 HA THR A 25 3.933 -1.802 -10.151 1.00 0.00 H new ATOM 0 HB THR A 25 2.288 -4.014 -10.680 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.207 -4.047 -8.068 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.412 -5.195 -11.078 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.450 -3.538 -11.726 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.284 -3.916 -10.200 1.00 0.00 H new ATOM 169 N LYS A 26 1.712 -1.341 -11.378 1.00 0.00 N ATOM 170 CA LYS A 26 0.504 -0.744 -11.928 1.00 0.00 C ATOM 171 C LYS A 26 -0.694 -1.656 -11.693 1.00 0.00 C ATOM 172 O LYS A 26 -1.729 -1.209 -11.199 1.00 0.00 O ATOM 173 CB LYS A 26 0.685 -0.453 -13.419 1.00 0.00 C ATOM 174 CG LYS A 26 1.695 0.646 -13.704 1.00 0.00 C ATOM 175 CD LYS A 26 1.247 1.972 -13.113 1.00 0.00 C ATOM 176 CE LYS A 26 2.308 3.047 -13.277 1.00 0.00 C ATOM 177 NZ LYS A 26 3.501 2.793 -12.422 1.00 0.00 N ATOM 0 H LYS A 26 2.470 -1.455 -12.051 1.00 0.00 H new ATOM 0 HA LYS A 26 0.317 0.201 -11.417 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.001 -1.366 -13.923 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.278 -0.170 -13.845 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.664 0.369 -13.289 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.827 0.751 -14.781 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.325 2.294 -13.598 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.022 1.841 -12.055 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.615 3.096 -14.322 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.882 4.018 -13.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.113 3.634 -12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.194 2.587 -11.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.030 1.980 -12.797 1.00 0.00 H new ATOM 191 N TYR A 27 -0.541 -2.936 -12.016 1.00 0.00 N ATOM 192 CA TYR A 27 -1.615 -3.903 -11.809 1.00 0.00 C ATOM 193 C TYR A 27 -1.972 -3.981 -10.333 1.00 0.00 C ATOM 194 O TYR A 27 -3.148 -3.996 -9.962 1.00 0.00 O ATOM 195 CB TYR A 27 -1.206 -5.290 -12.299 1.00 0.00 C ATOM 196 CG TYR A 27 -2.325 -6.306 -12.199 1.00 0.00 C ATOM 197 CD1 TYR A 27 -3.287 -6.405 -13.194 1.00 0.00 C ATOM 198 CD2 TYR A 27 -2.431 -7.153 -11.101 1.00 0.00 C ATOM 199 CE1 TYR A 27 -4.321 -7.316 -13.099 1.00 0.00 C ATOM 200 CE2 TYR A 27 -3.465 -8.063 -10.998 1.00 0.00 C ATOM 201 CZ TYR A 27 -4.406 -8.142 -12.001 1.00 0.00 C ATOM 202 OH TYR A 27 -5.441 -9.045 -11.901 1.00 0.00 O ATOM 0 H TYR A 27 0.310 -3.327 -12.420 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.480 -3.568 -12.381 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.877 -5.221 -13.336 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.353 -5.638 -11.717 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.226 -5.759 -14.057 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.692 -7.098 -10.315 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.060 -7.380 -13.884 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.535 -8.709 -10.136 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.091 -8.725 -11.241 1.00 0.00 H new ATOM 212 N GLN A 28 -0.940 -4.031 -9.500 1.00 0.00 N ATOM 213 CA GLN A 28 -1.113 -4.104 -8.059 1.00 0.00 C ATOM 214 C GLN A 28 -1.919 -2.907 -7.567 1.00 0.00 C ATOM 215 O GLN A 28 -2.838 -3.051 -6.762 1.00 0.00 O ATOM 216 CB GLN A 28 0.255 -4.136 -7.383 1.00 0.00 C ATOM 217 CG GLN A 28 0.309 -4.988 -6.129 1.00 0.00 C ATOM 218 CD GLN A 28 1.710 -5.497 -5.854 1.00 0.00 C ATOM 219 OE1 GLN A 28 2.532 -4.794 -5.271 1.00 0.00 O ATOM 220 NE2 GLN A 28 1.993 -6.722 -6.269 1.00 0.00 N ATOM 0 H GLN A 28 0.034 -4.022 -9.804 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.657 -5.014 -7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.991 -4.510 -8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.546 -3.117 -7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.039 -4.404 -5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.371 -5.834 -6.235 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.283 -7.274 -6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.921 -7.113 -6.108 1.00 0.00 H new ATOM 229 N THR A 29 -1.583 -1.733 -8.086 1.00 0.00 N ATOM 230 CA THR A 29 -2.267 -0.505 -7.720 1.00 0.00 C ATOM 231 C THR A 29 -3.713 -0.530 -8.205 1.00 0.00 C ATOM 232 O THR A 29 -4.623 -0.167 -7.469 1.00 0.00 O ATOM 233 CB THR A 29 -1.554 0.728 -8.308 1.00 0.00 C ATOM 234 OG1 THR A 29 -0.138 0.615 -8.108 1.00 0.00 O ATOM 235 CG2 THR A 29 -2.056 2.008 -7.655 1.00 0.00 C ATOM 0 H THR A 29 -0.834 -1.608 -8.767 1.00 0.00 H new ATOM 0 HA THR A 29 -2.251 -0.435 -6.632 1.00 0.00 H new ATOM 0 HB THR A 29 -1.773 0.771 -9.375 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.236 -0.010 -8.764 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.538 2.864 -8.087 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.128 2.108 -7.827 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.863 1.970 -6.583 1.00 0.00 H new ATOM 243 N LEU A 30 -3.912 -0.977 -9.443 1.00 0.00 N ATOM 244 CA LEU A 30 -5.247 -1.060 -10.035 1.00 0.00 C ATOM 245 C LEU A 30 -6.159 -1.962 -9.210 1.00 0.00 C ATOM 246 O LEU A 30 -7.332 -1.650 -8.991 1.00 0.00 O ATOM 247 CB LEU A 30 -5.161 -1.590 -11.469 1.00 0.00 C ATOM 248 CG LEU A 30 -4.573 -0.618 -12.489 1.00 0.00 C ATOM 249 CD1 LEU A 30 -4.282 -1.341 -13.796 1.00 0.00 C ATOM 250 CD2 LEU A 30 -5.524 0.547 -12.718 1.00 0.00 C ATOM 0 H LEU A 30 -3.162 -1.289 -10.059 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.670 -0.055 -10.045 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.558 -2.498 -11.468 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.162 -1.872 -11.795 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.636 -0.222 -12.098 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.863 -0.638 -14.516 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.568 -2.145 -13.616 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.206 -1.760 -14.194 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.091 1.232 -13.447 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.476 0.171 -13.093 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.687 1.074 -11.778 1.00 0.00 H new ATOM 262 N GLU A 31 -5.616 -3.083 -8.758 1.00 0.00 N ATOM 263 CA GLU A 31 -6.376 -4.031 -7.960 1.00 0.00 C ATOM 264 C GLU A 31 -6.672 -3.452 -6.583 1.00 0.00 C ATOM 265 O GLU A 31 -7.804 -3.528 -6.097 1.00 0.00 O ATOM 266 CB GLU A 31 -5.608 -5.349 -7.834 1.00 0.00 C ATOM 267 CG GLU A 31 -6.496 -6.560 -7.602 1.00 0.00 C ATOM 268 CD GLU A 31 -7.488 -6.781 -8.724 1.00 0.00 C ATOM 269 OE1 GLU A 31 -8.568 -6.153 -8.696 1.00 0.00 O ATOM 270 OE2 GLU A 31 -7.194 -7.580 -9.643 1.00 0.00 O ATOM 0 H GLU A 31 -4.649 -3.358 -8.931 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.325 -4.227 -8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.025 -5.507 -8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.899 -5.268 -7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.872 -7.447 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.037 -6.434 -6.664 1.00 0.00 H new ATOM 277 N LEU A 32 -5.659 -2.855 -5.971 1.00 0.00 N ATOM 278 CA LEU A 32 -5.807 -2.261 -4.654 1.00 0.00 C ATOM 279 C LEU A 32 -6.754 -1.070 -4.697 1.00 0.00 C ATOM 280 O LEU A 32 -7.586 -0.907 -3.813 1.00 0.00 O ATOM 281 CB LEU A 32 -4.442 -1.842 -4.102 1.00 0.00 C ATOM 282 CG LEU A 32 -3.526 -2.999 -3.698 1.00 0.00 C ATOM 283 CD1 LEU A 32 -2.213 -2.469 -3.139 1.00 0.00 C ATOM 284 CD2 LEU A 32 -4.218 -3.898 -2.685 1.00 0.00 C ATOM 0 H LEU A 32 -4.724 -2.770 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.237 -3.010 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.932 -1.240 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.599 -1.202 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.305 -3.591 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.574 -3.305 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.711 -1.868 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.413 -1.853 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.552 -4.715 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.469 -3.319 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.130 -4.305 -3.123 1.00 0.00 H new ATOM 296 N GLU A 33 -6.640 -0.251 -5.737 1.00 0.00 N ATOM 297 CA GLU A 33 -7.485 0.914 -5.898 1.00 0.00 C ATOM 298 C GLU A 33 -8.936 0.508 -6.091 1.00 0.00 C ATOM 299 O GLU A 33 -9.852 1.170 -5.600 1.00 0.00 O ATOM 300 CB GLU A 33 -7.010 1.718 -7.097 1.00 0.00 C ATOM 301 CG GLU A 33 -6.270 2.977 -6.716 1.00 0.00 C ATOM 302 CD GLU A 33 -5.823 3.790 -7.912 1.00 0.00 C ATOM 303 OE1 GLU A 33 -6.308 3.528 -9.037 1.00 0.00 O ATOM 304 OE2 GLU A 33 -4.979 4.695 -7.736 1.00 0.00 O ATOM 0 H GLU A 33 -5.960 -0.380 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.419 1.522 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.360 1.094 -7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.870 1.982 -7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.913 3.592 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.398 2.712 -6.119 1.00 0.00 H new ATOM 311 N LYS A 34 -9.133 -0.590 -6.805 1.00 0.00 N ATOM 312 CA LYS A 34 -10.469 -1.097 -7.072 1.00 0.00 C ATOM 313 C LYS A 34 -11.178 -1.454 -5.771 1.00 0.00 C ATOM 314 O LYS A 34 -12.313 -1.036 -5.540 1.00 0.00 O ATOM 315 CB LYS A 34 -10.409 -2.315 -7.996 1.00 0.00 C ATOM 316 CG LYS A 34 -11.745 -2.665 -8.629 1.00 0.00 C ATOM 317 CD LYS A 34 -12.369 -1.459 -9.313 1.00 0.00 C ATOM 318 CE LYS A 34 -13.575 -1.849 -10.147 1.00 0.00 C ATOM 319 NZ LYS A 34 -13.190 -2.644 -11.343 1.00 0.00 N ATOM 0 H LYS A 34 -8.382 -1.148 -7.211 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.037 -0.312 -7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.681 -2.126 -8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.049 -3.173 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.606 -3.466 -9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.424 -3.043 -7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.667 -0.728 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.627 -0.977 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.268 -2.427 -9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.103 -0.950 -10.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.992 -2.688 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.379 -2.193 -11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.929 -3.607 -11.050 1.00 0.00 H new ATOM 333 N GLU A 35 -10.504 -2.213 -4.919 1.00 0.00 N ATOM 334 CA GLU A 35 -11.090 -2.605 -3.646 1.00 0.00 C ATOM 335 C GLU A 35 -11.103 -1.428 -2.674 1.00 0.00 C ATOM 336 O GLU A 35 -12.006 -1.309 -1.859 1.00 0.00 O ATOM 337 CB GLU A 35 -10.350 -3.799 -3.045 1.00 0.00 C ATOM 338 CG GLU A 35 -8.945 -3.482 -2.571 1.00 0.00 C ATOM 339 CD GLU A 35 -8.418 -4.523 -1.615 1.00 0.00 C ATOM 340 OE1 GLU A 35 -8.879 -4.562 -0.456 1.00 0.00 O ATOM 341 OE2 GLU A 35 -7.559 -5.323 -2.026 1.00 0.00 O ATOM 0 H GLU A 35 -9.561 -2.566 -5.083 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.121 -2.909 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.927 -4.185 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.300 -4.594 -3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.280 -3.412 -3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.939 -2.507 -2.083 1.00 0.00 H new ATOM 348 N PHE A 36 -10.093 -0.569 -2.774 1.00 0.00 N ATOM 349 CA PHE A 36 -9.985 0.621 -1.928 1.00 0.00 C ATOM 350 C PHE A 36 -11.259 1.457 -2.008 1.00 0.00 C ATOM 351 O PHE A 36 -11.872 1.792 -0.994 1.00 0.00 O ATOM 352 CB PHE A 36 -8.780 1.458 -2.378 1.00 0.00 C ATOM 353 CG PHE A 36 -8.680 2.808 -1.727 1.00 0.00 C ATOM 354 CD1 PHE A 36 -8.928 2.954 -0.381 1.00 0.00 C ATOM 355 CD2 PHE A 36 -8.335 3.928 -2.468 1.00 0.00 C ATOM 356 CE1 PHE A 36 -8.834 4.190 0.228 1.00 0.00 C ATOM 357 CE2 PHE A 36 -8.238 5.168 -1.867 1.00 0.00 C ATOM 358 CZ PHE A 36 -8.489 5.300 -0.516 1.00 0.00 C ATOM 0 H PHE A 36 -9.328 -0.675 -3.440 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.847 0.307 -0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.868 0.900 -2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.831 1.593 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.200 2.090 0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.140 3.830 -3.526 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.030 4.288 1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.966 6.033 -2.453 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.416 6.268 -0.043 1.00 0.00 H new ATOM 368 N LEU A 37 -11.633 1.795 -3.227 1.00 0.00 N ATOM 369 CA LEU A 37 -12.833 2.585 -3.480 1.00 0.00 C ATOM 370 C LEU A 37 -14.078 1.805 -3.089 1.00 0.00 C ATOM 371 O LEU A 37 -15.053 2.362 -2.586 1.00 0.00 O ATOM 372 CB LEU A 37 -12.908 2.975 -4.955 1.00 0.00 C ATOM 373 CG LEU A 37 -11.857 3.985 -5.421 1.00 0.00 C ATOM 374 CD1 LEU A 37 -12.139 4.419 -6.848 1.00 0.00 C ATOM 375 CD2 LEU A 37 -11.809 5.193 -4.493 1.00 0.00 C ATOM 0 H LEU A 37 -11.120 1.534 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.782 3.490 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.812 2.072 -5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.897 3.387 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.882 3.500 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.383 5.137 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.112 3.550 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.124 4.882 -6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.054 5.894 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.783 5.683 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.556 4.867 -3.484 1.00 0.00 H new ATOM 387 N PHE A 38 -14.026 0.511 -3.342 1.00 0.00 N ATOM 388 CA PHE A 38 -15.118 -0.393 -3.025 1.00 0.00 C ATOM 389 C PHE A 38 -15.364 -0.428 -1.524 1.00 0.00 C ATOM 390 O PHE A 38 -16.488 -0.253 -1.054 1.00 0.00 O ATOM 391 CB PHE A 38 -14.766 -1.793 -3.514 1.00 0.00 C ATOM 392 CG PHE A 38 -15.941 -2.581 -4.009 1.00 0.00 C ATOM 393 CD1 PHE A 38 -16.676 -2.143 -5.098 1.00 0.00 C ATOM 394 CD2 PHE A 38 -16.308 -3.763 -3.389 1.00 0.00 C ATOM 395 CE1 PHE A 38 -17.755 -2.871 -5.559 1.00 0.00 C ATOM 396 CE2 PHE A 38 -17.386 -4.495 -3.845 1.00 0.00 C ATOM 397 CZ PHE A 38 -18.111 -4.048 -4.930 1.00 0.00 C ATOM 0 H PHE A 38 -13.223 0.055 -3.775 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.024 -0.041 -3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.032 -1.712 -4.316 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.291 -2.342 -2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.402 -1.222 -5.592 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.744 -4.117 -2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.320 -2.521 -6.410 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -17.661 -5.416 -3.353 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.956 -4.618 -5.287 1.00 0.00 H new ATOM 407 N ASN A 39 -14.291 -0.638 -0.785 1.00 0.00 N ATOM 408 CA ASN A 39 -14.343 -0.715 0.662 1.00 0.00 C ATOM 409 C ASN A 39 -13.013 -0.287 1.268 1.00 0.00 C ATOM 410 O ASN A 39 -12.017 -1.003 1.200 1.00 0.00 O ATOM 411 CB ASN A 39 -14.722 -2.132 1.134 1.00 0.00 C ATOM 412 CG ASN A 39 -13.899 -3.238 0.489 1.00 0.00 C ATOM 413 OD1 ASN A 39 -14.364 -3.732 -0.647 1.00 0.00 O flip ATOM 414 ND2 ASN A 39 -12.871 -3.661 1.019 1.00 0.00 N flip ATOM 0 H ASN A 39 -13.356 -0.760 -1.173 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.119 -0.030 1.005 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.603 -2.188 2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.777 -2.306 0.920 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.544 -3.254 1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.346 -4.418 0.582 1.00 0.00 H new ATOM 421 N MET A 40 -13.005 0.909 1.836 1.00 0.00 N ATOM 422 CA MET A 40 -11.816 1.458 2.477 1.00 0.00 C ATOM 423 C MET A 40 -11.386 0.578 3.640 1.00 0.00 C ATOM 424 O MET A 40 -10.206 0.502 3.985 1.00 0.00 O ATOM 425 CB MET A 40 -12.096 2.873 2.970 1.00 0.00 C ATOM 426 CG MET A 40 -11.746 3.945 1.958 1.00 0.00 C ATOM 427 SD MET A 40 -12.065 5.609 2.575 1.00 0.00 S ATOM 428 CE MET A 40 -13.858 5.644 2.512 1.00 0.00 C ATOM 0 H MET A 40 -13.817 1.525 1.867 1.00 0.00 H new ATOM 0 HA MET A 40 -11.008 1.488 1.746 1.00 0.00 H new ATOM 0 HB2 MET A 40 -13.152 2.958 3.227 1.00 0.00 H new ATOM 0 HB3 MET A 40 -11.530 3.049 3.885 1.00 0.00 H new ATOM 0 HG2 MET A 40 -10.693 3.856 1.689 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.322 3.782 1.047 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.207 6.669 2.638 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.196 5.262 1.549 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.262 5.022 3.311 1.00 0.00 H new ATOM 438 N TYR A 41 -12.358 -0.069 4.251 1.00 0.00 N ATOM 439 CA TYR A 41 -12.098 -0.971 5.357 1.00 0.00 C ATOM 440 C TYR A 41 -12.530 -2.369 4.979 1.00 0.00 C ATOM 441 O TYR A 41 -13.478 -2.561 4.215 1.00 0.00 O ATOM 442 CB TYR A 41 -12.815 -0.509 6.622 1.00 0.00 C ATOM 443 CG TYR A 41 -12.757 -1.471 7.790 1.00 0.00 C ATOM 444 CD1 TYR A 41 -11.648 -1.514 8.624 1.00 0.00 C ATOM 445 CD2 TYR A 41 -13.820 -2.323 8.067 1.00 0.00 C ATOM 446 CE1 TYR A 41 -11.599 -2.378 9.699 1.00 0.00 C ATOM 447 CE2 TYR A 41 -13.776 -3.193 9.140 1.00 0.00 C ATOM 448 CZ TYR A 41 -12.665 -3.216 9.953 1.00 0.00 C ATOM 449 OH TYR A 41 -12.620 -4.077 11.026 1.00 0.00 O ATOM 0 H TYR A 41 -13.343 0.014 3.998 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.028 -0.970 5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.386 0.443 6.935 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -13.861 -0.322 6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.810 -0.861 8.428 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.694 -2.305 7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.729 -2.398 10.339 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.609 -3.851 9.340 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.450 -4.596 11.064 1.00 0.00 H new ATOM 459 N LEU A 42 -11.838 -3.327 5.535 1.00 0.00 N ATOM 460 CA LEU A 42 -12.082 -4.713 5.271 1.00 0.00 C ATOM 461 C LEU A 42 -11.707 -5.531 6.496 1.00 0.00 C ATOM 462 O LEU A 42 -11.090 -5.016 7.430 1.00 0.00 O ATOM 463 CB LEU A 42 -11.258 -5.129 4.057 1.00 0.00 C ATOM 464 CG LEU A 42 -11.328 -6.594 3.684 1.00 0.00 C ATOM 465 CD1 LEU A 42 -12.666 -6.919 3.035 1.00 0.00 C ATOM 466 CD2 LEU A 42 -10.174 -6.967 2.767 1.00 0.00 C ATOM 0 H LEU A 42 -11.078 -3.160 6.194 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.137 -4.886 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.585 -4.539 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.216 -4.870 4.243 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.242 -7.186 4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.696 -7.977 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.473 -6.694 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.788 -6.319 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.241 -8.024 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.224 -6.368 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.229 -6.777 3.276 1.00 0.00 H new ATOM 478 N THR A 43 -12.070 -6.793 6.478 1.00 0.00 N ATOM 479 CA THR A 43 -11.794 -7.695 7.583 1.00 0.00 C ATOM 480 C THR A 43 -10.321 -8.097 7.603 1.00 0.00 C ATOM 481 O THR A 43 -9.646 -8.038 6.572 1.00 0.00 O ATOM 482 CB THR A 43 -12.666 -8.953 7.460 1.00 0.00 C ATOM 483 OG1 THR A 43 -13.388 -8.914 6.219 1.00 0.00 O ATOM 484 CG2 THR A 43 -13.640 -9.057 8.623 1.00 0.00 C ATOM 0 H THR A 43 -12.565 -7.227 5.699 1.00 0.00 H new ATOM 0 HA THR A 43 -12.026 -7.176 8.513 1.00 0.00 H new ATOM 0 HB THR A 43 -12.018 -9.829 7.481 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.944 -9.717 6.138 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.245 -9.957 8.511 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.084 -9.107 9.559 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.289 -8.182 8.633 1.00 0.00 H new ATOM 492 N ARG A 44 -9.826 -8.501 8.769 1.00 0.00 N ATOM 493 CA ARG A 44 -8.436 -8.913 8.906 1.00 0.00 C ATOM 494 C ARG A 44 -8.154 -10.143 8.055 1.00 0.00 C ATOM 495 O ARG A 44 -7.213 -10.157 7.269 1.00 0.00 O ATOM 496 CB ARG A 44 -8.096 -9.202 10.368 1.00 0.00 C ATOM 497 CG ARG A 44 -7.611 -7.988 11.141 1.00 0.00 C ATOM 498 CD ARG A 44 -7.119 -8.375 12.525 1.00 0.00 C ATOM 499 NE ARG A 44 -5.922 -9.215 12.468 1.00 0.00 N ATOM 500 CZ ARG A 44 -5.631 -10.167 13.358 1.00 0.00 C ATOM 501 NH1 ARG A 44 -6.415 -10.372 14.407 1.00 0.00 N ATOM 502 NH2 ARG A 44 -4.543 -10.903 13.205 1.00 0.00 N ATOM 0 H ARG A 44 -10.368 -8.551 9.632 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.808 -8.093 8.558 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.979 -9.606 10.863 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.328 -9.975 10.406 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.807 -7.501 10.590 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.421 -7.264 11.230 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.902 -7.473 13.097 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.909 -8.906 13.055 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.268 -9.064 11.700 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.249 -9.800 14.540 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.184 -11.102 15.081 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.927 -10.743 12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.320 -11.630 13.884 1.00 0.00 H new ATOM 516 N ASP A 45 -8.989 -11.163 8.206 1.00 0.00 N ATOM 517 CA ASP A 45 -8.835 -12.407 7.452 1.00 0.00 C ATOM 518 C ASP A 45 -8.832 -12.137 5.963 1.00 0.00 C ATOM 519 O ASP A 45 -7.985 -12.651 5.227 1.00 0.00 O ATOM 520 CB ASP A 45 -9.961 -13.381 7.799 1.00 0.00 C ATOM 521 CG ASP A 45 -9.778 -14.739 7.152 1.00 0.00 C ATOM 522 OD1 ASP A 45 -9.125 -15.609 7.765 1.00 0.00 O ATOM 523 OD2 ASP A 45 -10.289 -14.946 6.031 1.00 0.00 O ATOM 0 H ASP A 45 -9.784 -11.156 8.845 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.879 -12.853 7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.011 -13.502 8.881 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.914 -12.957 7.482 1.00 0.00 H new ATOM 528 N ARG A 46 -9.770 -11.318 5.531 1.00 0.00 N ATOM 529 CA ARG A 46 -9.876 -10.963 4.128 1.00 0.00 C ATOM 530 C ARG A 46 -8.643 -10.176 3.691 1.00 0.00 C ATOM 531 O ARG A 46 -8.168 -10.339 2.577 1.00 0.00 O ATOM 532 CB ARG A 46 -11.148 -10.158 3.855 1.00 0.00 C ATOM 533 CG ARG A 46 -11.718 -10.390 2.461 1.00 0.00 C ATOM 534 CD ARG A 46 -11.995 -11.865 2.205 1.00 0.00 C ATOM 535 NE ARG A 46 -13.117 -12.358 3.001 1.00 0.00 N ATOM 536 CZ ARG A 46 -13.299 -13.633 3.335 1.00 0.00 C ATOM 537 NH1 ARG A 46 -12.434 -14.564 2.946 1.00 0.00 N ATOM 538 NH2 ARG A 46 -14.357 -13.975 4.057 1.00 0.00 N ATOM 0 H ARG A 46 -10.471 -10.885 6.132 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.933 -11.884 3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.902 -10.420 4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.933 -9.097 3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.640 -9.821 2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.017 -10.016 1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.208 -12.015 1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.103 -12.447 2.437 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.807 -11.679 3.322 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.622 -14.304 2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.582 -15.539 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.025 -13.263 4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.503 -14.950 4.317 1.00 0.00 H new ATOM 552 N ARG A 47 -8.127 -9.325 4.576 1.00 0.00 N ATOM 553 CA ARG A 47 -6.933 -8.539 4.272 1.00 0.00 C ATOM 554 C ARG A 47 -5.735 -9.467 4.108 1.00 0.00 C ATOM 555 O ARG A 47 -4.981 -9.354 3.139 1.00 0.00 O ATOM 556 CB ARG A 47 -6.675 -7.503 5.371 1.00 0.00 C ATOM 557 CG ARG A 47 -5.510 -6.567 5.077 1.00 0.00 C ATOM 558 CD ARG A 47 -5.705 -5.818 3.765 1.00 0.00 C ATOM 559 NE ARG A 47 -6.822 -4.871 3.818 1.00 0.00 N ATOM 560 CZ ARG A 47 -7.575 -4.544 2.763 1.00 0.00 C ATOM 561 NH1 ARG A 47 -7.358 -5.111 1.582 1.00 0.00 N ATOM 562 NH2 ARG A 47 -8.549 -3.653 2.895 1.00 0.00 N ATOM 0 H ARG A 47 -8.515 -9.163 5.505 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.090 -8.001 3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.578 -6.909 5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.482 -8.024 6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.404 -5.851 5.892 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.584 -7.141 5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.789 -5.281 3.518 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.880 -6.536 2.963 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.038 -4.435 4.714 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.613 -5.800 1.476 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.936 -4.857 0.781 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.723 -3.218 3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.124 -3.403 2.090 1.00 0.00 H new ATOM 576 N TYR A 48 -5.568 -10.381 5.060 1.00 0.00 N ATOM 577 CA TYR A 48 -4.493 -11.363 5.010 1.00 0.00 C ATOM 578 C TYR A 48 -4.612 -12.173 3.724 1.00 0.00 C ATOM 579 O TYR A 48 -3.612 -12.541 3.102 1.00 0.00 O ATOM 580 CB TYR A 48 -4.572 -12.305 6.220 1.00 0.00 C ATOM 581 CG TYR A 48 -4.115 -11.700 7.537 1.00 0.00 C ATOM 582 CD1 TYR A 48 -4.388 -10.377 7.862 1.00 0.00 C ATOM 583 CD2 TYR A 48 -3.410 -12.463 8.457 1.00 0.00 C ATOM 584 CE1 TYR A 48 -3.975 -9.833 9.063 1.00 0.00 C ATOM 585 CE2 TYR A 48 -2.995 -11.927 9.660 1.00 0.00 C ATOM 586 CZ TYR A 48 -3.278 -10.611 9.958 1.00 0.00 C ATOM 587 OH TYR A 48 -2.865 -10.074 11.157 1.00 0.00 O ATOM 0 H TYR A 48 -6.169 -10.461 5.880 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.535 -10.843 5.033 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.602 -12.643 6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.967 -13.188 6.014 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.934 -9.762 7.162 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.182 -13.494 8.228 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.198 -8.803 9.298 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.450 -12.537 10.365 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.147 -9.137 11.210 1.00 0.00 H new ATOM 597 N GLU A 49 -5.853 -12.451 3.340 1.00 0.00 N ATOM 598 CA GLU A 49 -6.142 -13.199 2.122 1.00 0.00 C ATOM 599 C GLU A 49 -5.811 -12.370 0.891 1.00 0.00 C ATOM 600 O GLU A 49 -5.125 -12.847 -0.006 1.00 0.00 O ATOM 601 CB GLU A 49 -7.615 -13.607 2.105 1.00 0.00 C ATOM 602 CG GLU A 49 -7.916 -14.821 1.247 1.00 0.00 C ATOM 603 CD GLU A 49 -9.318 -15.343 1.478 1.00 0.00 C ATOM 604 OE1 GLU A 49 -10.288 -14.601 1.212 1.00 0.00 O ATOM 605 OE2 GLU A 49 -9.458 -16.495 1.940 1.00 0.00 O ATOM 0 H GLU A 49 -6.683 -12.166 3.861 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.522 -14.095 2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.936 -13.810 3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.209 -12.766 1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.794 -14.561 0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.195 -15.608 1.467 1.00 0.00 H new ATOM 612 N VAL A 50 -6.294 -11.134 0.859 1.00 0.00 N ATOM 613 CA VAL A 50 -6.035 -10.228 -0.260 1.00 0.00 C ATOM 614 C VAL A 50 -4.533 -10.090 -0.490 1.00 0.00 C ATOM 615 O VAL A 50 -4.057 -10.120 -1.628 1.00 0.00 O ATOM 616 CB VAL A 50 -6.658 -8.833 -0.011 1.00 0.00 C ATOM 617 CG1 VAL A 50 -6.081 -7.791 -0.958 1.00 0.00 C ATOM 618 CG2 VAL A 50 -8.170 -8.896 -0.157 1.00 0.00 C ATOM 0 H VAL A 50 -6.871 -10.732 1.598 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.499 -10.655 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.411 -8.534 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.540 -6.823 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.004 -7.720 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.286 -8.082 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.594 -7.908 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.425 -9.224 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.576 -9.601 0.568 1.00 0.00 H new ATOM 628 N ALA A 51 -3.793 -9.962 0.605 1.00 0.00 N ATOM 629 CA ALA A 51 -2.346 -9.840 0.541 1.00 0.00 C ATOM 630 C ALA A 51 -1.729 -11.085 -0.093 1.00 0.00 C ATOM 631 O ALA A 51 -0.850 -10.987 -0.954 1.00 0.00 O ATOM 632 CB ALA A 51 -1.779 -9.617 1.933 1.00 0.00 C ATOM 0 H ALA A 51 -4.175 -9.940 1.550 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.097 -8.981 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.694 -9.527 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.197 -8.702 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.039 -10.462 2.571 1.00 0.00 H new ATOM 638 N ARG A 52 -2.228 -12.250 0.319 1.00 0.00 N ATOM 639 CA ARG A 52 -1.744 -13.526 -0.177 1.00 0.00 C ATOM 640 C ARG A 52 -2.110 -13.706 -1.645 1.00 0.00 C ATOM 641 O ARG A 52 -1.302 -14.180 -2.447 1.00 0.00 O ATOM 642 CB ARG A 52 -2.362 -14.645 0.657 1.00 0.00 C ATOM 643 CG ARG A 52 -1.400 -15.774 0.998 1.00 0.00 C ATOM 644 CD ARG A 52 -1.024 -16.593 -0.224 1.00 0.00 C ATOM 645 NE ARG A 52 -0.072 -17.651 0.100 1.00 0.00 N ATOM 646 CZ ARG A 52 0.185 -18.697 -0.682 1.00 0.00 C ATOM 647 NH1 ARG A 52 -0.444 -18.840 -1.846 1.00 0.00 N ATOM 648 NH2 ARG A 52 1.068 -19.605 -0.292 1.00 0.00 N ATOM 0 H ARG A 52 -2.978 -12.330 1.005 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.658 -13.557 -0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.749 -14.221 1.583 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.213 -15.059 0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.498 -15.358 1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.856 -16.425 1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.923 -17.033 -0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.594 -15.938 -0.982 1.00 0.00 H new ATOM 0 HE ARG A 52 0.430 -17.584 0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.129 -18.145 -2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.242 -19.644 -2.440 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.546 -19.500 0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.269 -20.409 -0.887 1.00 0.00 H new ATOM 662 N VAL A 53 -3.344 -13.338 -1.973 1.00 0.00 N ATOM 663 CA VAL A 53 -3.863 -13.440 -3.338 1.00 0.00 C ATOM 664 C VAL A 53 -2.962 -12.721 -4.349 1.00 0.00 C ATOM 665 O VAL A 53 -2.821 -13.169 -5.492 1.00 0.00 O ATOM 666 CB VAL A 53 -5.305 -12.872 -3.430 1.00 0.00 C ATOM 667 CG1 VAL A 53 -5.743 -12.674 -4.876 1.00 0.00 C ATOM 668 CG2 VAL A 53 -6.283 -13.783 -2.709 1.00 0.00 C ATOM 0 H VAL A 53 -4.014 -12.961 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.879 -14.501 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.302 -11.896 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.757 -12.275 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.067 -11.974 -5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.718 -13.631 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.289 -13.369 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.263 -14.773 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.000 -13.862 -1.659 1.00 0.00 H new ATOM 678 N LEU A 54 -2.327 -11.630 -3.932 1.00 0.00 N ATOM 679 CA LEU A 54 -1.470 -10.884 -4.828 1.00 0.00 C ATOM 680 C LEU A 54 -0.039 -11.390 -4.731 1.00 0.00 C ATOM 681 O LEU A 54 0.344 -12.341 -5.418 1.00 0.00 O ATOM 682 CB LEU A 54 -1.533 -9.393 -4.492 1.00 0.00 C ATOM 683 CG LEU A 54 -2.876 -8.713 -4.771 1.00 0.00 C ATOM 684 CD1 LEU A 54 -2.983 -7.403 -4.007 1.00 0.00 C ATOM 685 CD2 LEU A 54 -3.051 -8.476 -6.262 1.00 0.00 C ATOM 0 H LEU A 54 -2.393 -11.251 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.818 -11.027 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.293 -9.265 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.759 -8.877 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.673 -9.374 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.945 -6.936 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.902 -7.598 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.179 -6.735 -4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.011 -7.992 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.247 -7.836 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.021 -9.430 -6.788 1.00 0.00 H new ATOM 697 N ASN A 55 0.730 -10.761 -3.855 1.00 0.00 N ATOM 698 CA ASN A 55 2.127 -11.112 -3.636 1.00 0.00 C ATOM 699 C ASN A 55 2.726 -10.163 -2.615 1.00 0.00 C ATOM 700 O ASN A 55 3.921 -9.869 -2.638 1.00 0.00 O ATOM 701 CB ASN A 55 2.925 -11.029 -4.943 1.00 0.00 C ATOM 702 CG ASN A 55 4.236 -11.792 -4.876 1.00 0.00 C ATOM 703 OD1 ASN A 55 4.369 -12.759 -4.126 1.00 0.00 O ATOM 704 ND2 ASN A 55 5.209 -11.366 -5.665 1.00 0.00 N ATOM 0 H ASN A 55 0.402 -9.990 -3.273 1.00 0.00 H new ATOM 0 HA ASN A 55 2.176 -12.137 -3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.320 -11.424 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.129 -9.983 -5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.110 -11.843 -5.666 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.058 -10.560 -6.272 1.00 0.00 H new ATOM 711 N LEU A 56 1.887 -9.679 -1.712 1.00 0.00 N ATOM 712 CA LEU A 56 2.343 -8.740 -0.700 1.00 0.00 C ATOM 713 C LEU A 56 1.982 -9.217 0.691 1.00 0.00 C ATOM 714 O LEU A 56 1.266 -10.204 0.860 1.00 0.00 O ATOM 715 CB LEU A 56 1.713 -7.360 -0.914 1.00 0.00 C ATOM 716 CG LEU A 56 1.969 -6.707 -2.272 1.00 0.00 C ATOM 717 CD1 LEU A 56 1.269 -5.360 -2.340 1.00 0.00 C ATOM 718 CD2 LEU A 56 3.462 -6.546 -2.524 1.00 0.00 C ATOM 0 H LEU A 56 0.897 -9.918 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 56 3.427 -8.672 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.636 -7.449 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.081 -6.691 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 56 1.565 -7.355 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.456 -4.901 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.196 -5.500 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.651 -4.711 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.619 -6.079 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.897 -5.918 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.941 -7.525 -2.510 1.00 0.00 H new ATOM 730 N THR A 57 2.497 -8.521 1.687 1.00 0.00 N ATOM 731 CA THR A 57 2.190 -8.832 3.061 1.00 0.00 C ATOM 732 C THR A 57 0.951 -8.045 3.460 1.00 0.00 C ATOM 733 O THR A 57 0.517 -7.151 2.723 1.00 0.00 O ATOM 734 CB THR A 57 3.367 -8.488 3.991 1.00 0.00 C ATOM 735 OG1 THR A 57 4.108 -7.387 3.451 1.00 0.00 O ATOM 736 CG2 THR A 57 4.286 -9.689 4.160 1.00 0.00 C ATOM 0 H THR A 57 3.133 -7.733 1.564 1.00 0.00 H new ATOM 0 HA THR A 57 2.007 -9.902 3.158 1.00 0.00 H new ATOM 0 HB THR A 57 2.967 -8.214 4.967 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.737 -6.546 3.790 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.112 -9.425 4.821 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.726 -10.518 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.680 -9.985 3.188 1.00 0.00 H new ATOM 744 N GLU A 58 0.380 -8.362 4.605 1.00 0.00 N ATOM 745 CA GLU A 58 -0.820 -7.679 5.063 1.00 0.00 C ATOM 746 C GLU A 58 -0.548 -6.194 5.266 1.00 0.00 C ATOM 747 O GLU A 58 -1.383 -5.349 4.931 1.00 0.00 O ATOM 748 CB GLU A 58 -1.336 -8.323 6.349 1.00 0.00 C ATOM 749 CG GLU A 58 -1.560 -9.822 6.212 1.00 0.00 C ATOM 750 CD GLU A 58 -0.339 -10.633 6.606 1.00 0.00 C ATOM 751 OE1 GLU A 58 0.695 -10.028 6.969 1.00 0.00 O ATOM 752 OE2 GLU A 58 -0.402 -11.876 6.547 1.00 0.00 O ATOM 0 H GLU A 58 0.724 -9.086 5.236 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.591 -7.776 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.623 -8.139 7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.272 -7.846 6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.404 -10.118 6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.828 -10.053 5.181 1.00 0.00 H new ATOM 759 N ARG A 59 0.636 -5.880 5.779 1.00 0.00 N ATOM 760 CA ARG A 59 1.013 -4.497 6.007 1.00 0.00 C ATOM 761 C ARG A 59 1.143 -3.748 4.687 1.00 0.00 C ATOM 762 O ARG A 59 0.801 -2.572 4.608 1.00 0.00 O ATOM 763 CB ARG A 59 2.320 -4.394 6.801 1.00 0.00 C ATOM 764 CG ARG A 59 2.404 -3.115 7.621 1.00 0.00 C ATOM 765 CD ARG A 59 3.824 -2.792 8.063 1.00 0.00 C ATOM 766 NE ARG A 59 3.893 -1.463 8.674 1.00 0.00 N ATOM 767 CZ ARG A 59 4.963 -0.670 8.643 1.00 0.00 C ATOM 768 NH1 ARG A 59 6.114 -1.110 8.156 1.00 0.00 N ATOM 769 NH2 ARG A 59 4.886 0.563 9.139 1.00 0.00 N ATOM 0 H ARG A 59 1.346 -6.563 6.043 1.00 0.00 H new ATOM 0 HA ARG A 59 0.221 -4.037 6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.407 -5.254 7.465 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.164 -4.437 6.113 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.014 -2.285 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.767 -3.210 8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.167 -3.542 8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.495 -2.837 7.205 1.00 0.00 H new ATOM 0 HE ARG A 59 3.063 -1.120 9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.186 -2.063 7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.928 -0.495 8.136 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.010 0.897 9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.703 1.173 9.117 1.00 0.00 H new ATOM 783 N GLN A 60 1.614 -4.431 3.643 1.00 0.00 N ATOM 784 CA GLN A 60 1.780 -3.797 2.339 1.00 0.00 C ATOM 785 C GLN A 60 0.457 -3.246 1.832 1.00 0.00 C ATOM 786 O GLN A 60 0.399 -2.148 1.276 1.00 0.00 O ATOM 787 CB GLN A 60 2.348 -4.786 1.325 1.00 0.00 C ATOM 788 CG GLN A 60 3.834 -5.039 1.489 1.00 0.00 C ATOM 789 CD GLN A 60 4.622 -4.716 0.237 1.00 0.00 C ATOM 790 OE1 GLN A 60 4.246 -3.835 -0.539 1.00 0.00 O ATOM 791 NE2 GLN A 60 5.723 -5.418 0.038 1.00 0.00 N ATOM 0 H GLN A 60 1.884 -5.414 3.676 1.00 0.00 H new ATOM 0 HA GLN A 60 2.482 -2.971 2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.815 -5.732 1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.161 -4.410 0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.212 -4.438 2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.994 -6.084 1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.997 -6.138 0.707 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.300 -5.240 -0.784 1.00 0.00 H new ATOM 800 N VAL A 61 -0.603 -4.006 2.042 1.00 0.00 N ATOM 801 CA VAL A 61 -1.927 -3.596 1.606 1.00 0.00 C ATOM 802 C VAL A 61 -2.493 -2.531 2.540 1.00 0.00 C ATOM 803 O VAL A 61 -3.005 -1.506 2.091 1.00 0.00 O ATOM 804 CB VAL A 61 -2.900 -4.790 1.539 1.00 0.00 C ATOM 805 CG1 VAL A 61 -4.204 -4.378 0.876 1.00 0.00 C ATOM 806 CG2 VAL A 61 -2.266 -5.956 0.794 1.00 0.00 C ATOM 0 H VAL A 61 -0.573 -4.911 2.512 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.822 -3.182 0.603 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.119 -5.112 2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.879 -5.233 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.667 -3.576 1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.003 -4.029 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.968 -6.789 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.016 -5.647 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.359 -6.268 1.312 1.00 0.00 H new ATOM 816 N LYS A 62 -2.369 -2.769 3.842 1.00 0.00 N ATOM 817 CA LYS A 62 -2.885 -1.844 4.849 1.00 0.00 C ATOM 818 C LYS A 62 -2.221 -0.474 4.745 1.00 0.00 C ATOM 819 O LYS A 62 -2.893 0.556 4.777 1.00 0.00 O ATOM 820 CB LYS A 62 -2.663 -2.410 6.249 1.00 0.00 C ATOM 821 CG LYS A 62 -3.835 -2.179 7.190 1.00 0.00 C ATOM 822 CD LYS A 62 -3.372 -2.061 8.632 1.00 0.00 C ATOM 823 CE LYS A 62 -2.466 -0.856 8.827 1.00 0.00 C ATOM 824 NZ LYS A 62 -1.984 -0.745 10.227 1.00 0.00 N ATOM 0 H LYS A 62 -1.914 -3.597 4.227 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.953 -1.723 4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.474 -3.481 6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.769 -1.958 6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.363 -1.271 6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.544 -3.002 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.238 -1.977 9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.841 -2.968 8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.612 -0.932 8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.006 0.051 8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.370 0.089 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.797 -0.647 10.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.447 -1.599 10.478 1.00 0.00 H new ATOM 838 N ILE A 63 -0.901 -0.466 4.617 1.00 0.00 N ATOM 839 CA ILE A 63 -0.156 0.780 4.503 1.00 0.00 C ATOM 840 C ILE A 63 -0.534 1.513 3.224 1.00 0.00 C ATOM 841 O ILE A 63 -0.582 2.738 3.196 1.00 0.00 O ATOM 842 CB ILE A 63 1.370 0.531 4.542 1.00 0.00 C ATOM 843 CG1 ILE A 63 1.792 0.040 5.930 1.00 0.00 C ATOM 844 CG2 ILE A 63 2.147 1.785 4.164 1.00 0.00 C ATOM 845 CD1 ILE A 63 1.580 1.057 7.033 1.00 0.00 C ATOM 0 H ILE A 63 -0.325 -1.307 4.590 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.419 1.401 5.359 1.00 0.00 H new ATOM 0 HB ILE A 63 1.603 -0.240 3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.232 -0.864 6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.846 -0.236 5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.216 1.576 4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.873 2.093 3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.909 2.585 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.903 0.634 7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.162 1.953 6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.523 1.316 7.091 1.00 0.00 H new ATOM 857 N TRP A 64 -0.827 0.759 2.173 1.00 0.00 N ATOM 858 CA TRP A 64 -1.215 1.355 0.906 1.00 0.00 C ATOM 859 C TRP A 64 -2.537 2.097 1.075 1.00 0.00 C ATOM 860 O TRP A 64 -2.711 3.210 0.575 1.00 0.00 O ATOM 861 CB TRP A 64 -1.338 0.280 -0.180 1.00 0.00 C ATOM 862 CG TRP A 64 -1.585 0.836 -1.549 1.00 0.00 C ATOM 863 CD1 TRP A 64 -0.646 1.142 -2.492 1.00 0.00 C ATOM 864 CD2 TRP A 64 -2.855 1.153 -2.129 1.00 0.00 C ATOM 865 NE1 TRP A 64 -1.257 1.631 -3.622 1.00 0.00 N ATOM 866 CE2 TRP A 64 -2.612 1.645 -3.424 1.00 0.00 C ATOM 867 CE3 TRP A 64 -4.176 1.068 -1.679 1.00 0.00 C ATOM 868 CZ2 TRP A 64 -3.638 2.055 -4.266 1.00 0.00 C ATOM 869 CZ3 TRP A 64 -5.192 1.472 -2.517 1.00 0.00 C ATOM 870 CH2 TRP A 64 -4.918 1.958 -3.799 1.00 0.00 C ATOM 0 H TRP A 64 -0.803 -0.261 2.174 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.446 2.062 0.596 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.424 -0.313 -0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.152 -0.396 0.081 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.420 1.018 -2.368 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.779 1.934 -4.470 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.396 0.692 -0.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.431 2.437 -5.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -6.216 1.412 -2.179 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.736 2.263 -4.434 1.00 0.00 H new ATOM 881 N PHE A 65 -3.455 1.477 1.807 1.00 0.00 N ATOM 882 CA PHE A 65 -4.756 2.051 2.064 1.00 0.00 C ATOM 883 C PHE A 65 -4.634 3.314 2.897 1.00 0.00 C ATOM 884 O PHE A 65 -5.292 4.319 2.632 1.00 0.00 O ATOM 885 CB PHE A 65 -5.630 1.027 2.779 1.00 0.00 C ATOM 886 CG PHE A 65 -6.458 0.183 1.855 1.00 0.00 C ATOM 887 CD1 PHE A 65 -5.856 -0.709 0.981 1.00 0.00 C ATOM 888 CD2 PHE A 65 -7.839 0.278 1.863 1.00 0.00 C ATOM 889 CE1 PHE A 65 -6.616 -1.488 0.133 1.00 0.00 C ATOM 890 CE2 PHE A 65 -8.605 -0.500 1.018 1.00 0.00 C ATOM 891 CZ PHE A 65 -7.993 -1.386 0.152 1.00 0.00 C ATOM 0 H PHE A 65 -3.312 0.563 2.236 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.217 2.319 1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.993 0.376 3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.292 1.548 3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.780 -0.795 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.323 0.969 2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.134 -2.177 -0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.682 -0.416 1.034 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.590 -1.997 -0.508 1.00 0.00 H new ATOM 901 N GLN A 66 -3.777 3.247 3.895 1.00 0.00 N ATOM 902 CA GLN A 66 -3.536 4.375 4.787 1.00 0.00 C ATOM 903 C GLN A 66 -2.847 5.501 4.024 1.00 0.00 C ATOM 904 O GLN A 66 -3.162 6.680 4.200 1.00 0.00 O ATOM 905 CB GLN A 66 -2.668 3.933 5.971 1.00 0.00 C ATOM 906 CG GLN A 66 -3.157 4.444 7.317 1.00 0.00 C ATOM 907 CD GLN A 66 -2.837 5.910 7.553 1.00 0.00 C ATOM 908 OE1 GLN A 66 -1.617 6.319 7.242 1.00 0.00 O flip ATOM 909 NE2 GLN A 66 -3.673 6.666 8.046 1.00 0.00 N flip ATOM 0 H GLN A 66 -3.228 2.416 4.115 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.491 4.737 5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.634 2.844 5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.647 4.280 5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.235 4.299 7.383 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.706 3.848 8.110 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.604 6.318 8.274 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.435 7.641 8.227 1.00 0.00 H new ATOM 918 N ASN A 67 -1.921 5.111 3.161 1.00 0.00 N ATOM 919 CA ASN A 67 -1.156 6.044 2.352 1.00 0.00 C ATOM 920 C ASN A 67 -2.048 6.775 1.360 1.00 0.00 C ATOM 921 O ASN A 67 -2.054 8.003 1.311 1.00 0.00 O ATOM 922 CB ASN A 67 -0.054 5.293 1.606 1.00 0.00 C ATOM 923 CG ASN A 67 1.040 6.209 1.110 1.00 0.00 C ATOM 924 OD1 ASN A 67 1.051 6.611 -0.052 1.00 0.00 O ATOM 925 ND2 ASN A 67 1.971 6.543 1.988 1.00 0.00 N ATOM 0 H ASN A 67 -1.679 4.133 3.002 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.711 6.786 3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.378 4.541 2.266 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.490 4.762 0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.737 7.157 1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.923 6.187 2.942 1.00 0.00 H new ATOM 932 N ARG A 68 -2.820 6.019 0.585 1.00 0.00 N ATOM 933 CA ARG A 68 -3.707 6.612 -0.412 1.00 0.00 C ATOM 934 C ARG A 68 -4.768 7.490 0.249 1.00 0.00 C ATOM 935 O ARG A 68 -5.148 8.529 -0.291 1.00 0.00 O ATOM 936 CB ARG A 68 -4.375 5.530 -1.263 1.00 0.00 C ATOM 937 CG ARG A 68 -5.034 6.077 -2.521 1.00 0.00 C ATOM 938 CD ARG A 68 -4.416 5.494 -3.778 1.00 0.00 C ATOM 939 NE ARG A 68 -2.968 5.687 -3.817 1.00 0.00 N ATOM 940 CZ ARG A 68 -2.228 5.542 -4.913 1.00 0.00 C ATOM 941 NH1 ARG A 68 -2.788 5.201 -6.067 1.00 0.00 N ATOM 942 NH2 ARG A 68 -0.920 5.733 -4.857 1.00 0.00 N ATOM 0 H ARG A 68 -2.850 5.000 0.627 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.097 7.239 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.629 4.787 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.125 5.016 -0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.100 5.851 -2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.939 7.163 -2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.641 4.429 -3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.868 5.960 -4.654 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.496 5.949 -2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.795 5.047 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.211 5.093 -6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.480 5.991 -3.974 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.352 5.622 -5.697 1.00 0.00 H new ATOM 956 N ARG A 69 -5.236 7.071 1.419 1.00 0.00 N ATOM 957 CA ARG A 69 -6.241 7.829 2.154 1.00 0.00 C ATOM 958 C ARG A 69 -5.682 9.189 2.563 1.00 0.00 C ATOM 959 O ARG A 69 -6.366 10.208 2.472 1.00 0.00 O ATOM 960 CB ARG A 69 -6.702 7.045 3.389 1.00 0.00 C ATOM 961 CG ARG A 69 -7.659 7.811 4.286 1.00 0.00 C ATOM 962 CD ARG A 69 -8.959 8.144 3.573 1.00 0.00 C ATOM 963 NE ARG A 69 -9.687 9.208 4.258 1.00 0.00 N ATOM 964 CZ ARG A 69 -10.999 9.406 4.166 1.00 0.00 C ATOM 965 NH1 ARG A 69 -11.753 8.607 3.419 1.00 0.00 N ATOM 966 NH2 ARG A 69 -11.555 10.410 4.829 1.00 0.00 N ATOM 0 H ARG A 69 -4.936 6.211 1.879 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.102 7.989 1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.185 6.124 3.062 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.827 6.757 3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.874 7.220 5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.183 8.732 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.746 8.449 2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.583 7.252 3.517 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.152 9.844 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.327 7.833 2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.758 8.767 3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.977 11.023 5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.560 10.569 4.764 1.00 0.00 H new