USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 516 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 11 HIS : no HD1:sc= -0.0567 X(o=-0.057,f=-0.21) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.877 K(o=-0.88,f=-5.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.093) USER MOD Single : A 38 ASN : amide:sc= -3.04! C(o=-3!,f=-3.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -3.57! C(o=-3.6!,f=-6.8!) USER MOD Single : A 57 SER OG : rot 67:sc= 0.751 USER MOD Single : A 59 GLN : amide:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 64 GLN : amide:sc= -5.38! C(o=-5.4!,f=-2.1!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 123:sc= 0.0276 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -1.240 -15.061 -2.228 1.00 0.00 N ATOM 143 CA HIS A 11 -0.996 -14.356 -0.981 1.00 0.00 C ATOM 144 C HIS A 11 0.477 -14.430 -0.592 1.00 0.00 C ATOM 145 O HIS A 11 1.086 -15.499 -0.614 1.00 0.00 O ATOM 146 CB HIS A 11 -1.865 -14.944 0.132 1.00 0.00 C ATOM 147 CG HIS A 11 -1.557 -16.376 0.446 1.00 0.00 C ATOM 148 ND1 HIS A 11 -2.047 -17.397 -0.329 1.00 0.00 N ATOM 149 CD2 HIS A 11 -0.816 -16.899 1.453 1.00 0.00 C ATOM 150 CE1 HIS A 11 -1.598 -18.513 0.217 1.00 0.00 C ATOM 151 NE2 HIS A 11 -0.847 -18.262 1.299 1.00 0.00 N ATOM 0 HA HIS A 11 -1.258 -13.308 -1.123 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.735 -14.348 1.035 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.913 -14.862 -0.156 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.301 -16.349 2.227 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.809 -19.503 -0.161 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.387 -18.952 1.893 1.00 0.00 H new ATOM 159 N ILE A 12 1.039 -13.283 -0.233 1.00 0.00 N ATOM 160 CA ILE A 12 2.438 -13.203 0.169 1.00 0.00 C ATOM 161 C ILE A 12 2.561 -13.289 1.685 1.00 0.00 C ATOM 162 O ILE A 12 1.631 -12.923 2.405 1.00 0.00 O ATOM 163 CB ILE A 12 3.076 -11.884 -0.314 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.505 -11.741 0.214 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.230 -10.700 0.126 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.557 -11.923 -0.856 1.00 0.00 C ATOM 0 H ILE A 12 0.545 -12.391 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 12 2.963 -14.041 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 12 3.118 -11.904 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.622 -10.756 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.669 -12.474 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.691 -9.775 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.230 -10.789 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.162 -10.686 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.548 -11.809 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.465 -12.918 -1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.418 -11.173 -1.634 1.00 0.00 H new ATOM 178 N SER A 13 3.713 -13.757 2.167 1.00 0.00 N ATOM 179 CA SER A 13 3.944 -13.861 3.602 1.00 0.00 C ATOM 180 C SER A 13 3.505 -12.571 4.281 1.00 0.00 C ATOM 181 O SER A 13 2.879 -12.594 5.342 1.00 0.00 O ATOM 182 CB SER A 13 5.421 -14.139 3.892 1.00 0.00 C ATOM 183 OG SER A 13 5.667 -15.531 3.996 1.00 0.00 O ATOM 0 H SER A 13 4.493 -14.067 1.587 1.00 0.00 H new ATOM 0 HA SER A 13 3.360 -14.692 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.037 -13.716 3.098 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.712 -13.645 4.819 1.00 0.00 H new ATOM 0 HG SER A 13 6.618 -15.682 4.180 1.00 0.00 H new ATOM 189 N LYS A 14 3.819 -11.444 3.640 1.00 0.00 N ATOM 190 CA LYS A 14 3.437 -10.138 4.159 1.00 0.00 C ATOM 191 C LYS A 14 3.786 -9.019 3.177 1.00 0.00 C ATOM 192 O LYS A 14 4.820 -9.054 2.517 1.00 0.00 O ATOM 193 CB LYS A 14 4.121 -9.880 5.505 1.00 0.00 C ATOM 194 CG LYS A 14 5.620 -9.644 5.395 1.00 0.00 C ATOM 195 CD LYS A 14 6.254 -9.444 6.761 1.00 0.00 C ATOM 196 CE LYS A 14 7.725 -9.082 6.644 1.00 0.00 C ATOM 197 NZ LYS A 14 8.548 -9.754 7.688 1.00 0.00 N ATOM 0 H LYS A 14 4.337 -11.414 2.762 1.00 0.00 H new ATOM 0 HA LYS A 14 2.356 -10.142 4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.659 -9.012 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.944 -10.732 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.087 -10.493 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.807 -8.768 4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.726 -8.655 7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.148 -10.355 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.091 -9.364 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.841 -8.002 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.545 -9.481 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.216 -9.466 8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.458 -10.785 7.590 1.00 0.00 H new ATOM 211 N TYR A 15 2.918 -8.015 3.117 1.00 0.00 N ATOM 212 CA TYR A 15 3.114 -6.854 2.257 1.00 0.00 C ATOM 213 C TYR A 15 3.622 -5.695 3.103 1.00 0.00 C ATOM 214 O TYR A 15 3.259 -5.576 4.272 1.00 0.00 O ATOM 215 CB TYR A 15 1.793 -6.448 1.593 1.00 0.00 C ATOM 216 CG TYR A 15 1.762 -6.598 0.087 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.424 -5.696 -0.738 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.053 -7.635 -0.509 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.380 -5.824 -2.115 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.009 -7.772 -1.884 1.00 0.00 C ATOM 221 CZ TYR A 15 1.673 -6.863 -2.681 1.00 0.00 C ATOM 222 OH TYR A 15 1.628 -6.994 -4.051 1.00 0.00 O ATOM 0 H TYR A 15 2.058 -7.983 3.664 1.00 0.00 H new ATOM 0 HA TYR A 15 3.836 -7.105 1.480 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.990 -7.049 2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.582 -5.409 1.844 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.981 -4.883 -0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.528 -8.345 0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.897 -5.114 -2.743 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.458 -8.586 -2.331 1.00 0.00 H new ATOM 0 HH TYR A 15 1.089 -7.778 -4.287 1.00 0.00 H new ATOM 232 N ILE A 16 4.449 -4.841 2.525 1.00 0.00 N ATOM 233 CA ILE A 16 4.975 -3.705 3.261 1.00 0.00 C ATOM 234 C ILE A 16 4.488 -2.408 2.680 1.00 0.00 C ATOM 235 O ILE A 16 4.317 -2.277 1.469 1.00 0.00 O ATOM 236 CB ILE A 16 6.523 -3.651 3.288 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.024 -3.809 4.727 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.037 -2.327 2.693 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.466 -2.769 5.682 1.00 0.00 C ATOM 0 H ILE A 16 4.768 -4.911 1.559 1.00 0.00 H new ATOM 0 HA ILE A 16 4.611 -3.840 4.280 1.00 0.00 H new ATOM 0 HB ILE A 16 6.907 -4.470 2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.758 -4.802 5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.112 -3.749 4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.126 -2.313 2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.701 -2.238 1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.647 -1.491 3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.864 -2.943 6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.754 -1.773 5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.379 -2.843 5.706 1.00 0.00 H new ATOM 251 N LEU A 17 4.329 -1.432 3.543 1.00 0.00 N ATOM 252 CA LEU A 17 3.943 -0.130 3.096 1.00 0.00 C ATOM 253 C LEU A 17 4.938 0.884 3.615 1.00 0.00 C ATOM 254 O LEU A 17 4.961 1.206 4.802 1.00 0.00 O ATOM 255 CB LEU A 17 2.538 0.210 3.572 1.00 0.00 C ATOM 256 CG LEU A 17 1.610 0.747 2.483 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.745 -0.371 1.925 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.745 1.873 3.029 1.00 0.00 C ATOM 0 H LEU A 17 4.462 -1.521 4.550 1.00 0.00 H new ATOM 0 HA LEU A 17 3.938 -0.111 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.089 -0.684 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.608 0.950 4.369 1.00 0.00 H new ATOM 0 HG LEU A 17 2.220 1.146 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.090 0.028 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.382 -1.145 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.142 -0.799 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.090 2.244 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.141 1.500 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.383 2.683 3.382 1.00 0.00 H new ATOM 270 N ARG A 18 5.724 1.413 2.701 1.00 0.00 N ATOM 271 CA ARG A 18 6.694 2.429 3.028 1.00 0.00 C ATOM 272 C ARG A 18 6.299 3.644 2.245 1.00 0.00 C ATOM 273 O ARG A 18 6.097 3.556 1.041 1.00 0.00 O ATOM 274 CB ARG A 18 8.109 1.977 2.663 1.00 0.00 C ATOM 275 CG ARG A 18 8.731 1.042 3.688 1.00 0.00 C ATOM 276 CD ARG A 18 9.582 -0.029 3.025 1.00 0.00 C ATOM 277 NE ARG A 18 10.594 -0.562 3.932 1.00 0.00 N ATOM 278 CZ ARG A 18 11.643 0.135 4.361 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.820 1.388 3.963 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.516 -0.422 5.190 1.00 0.00 N ATOM 0 H ARG A 18 5.707 1.150 1.716 1.00 0.00 H new ATOM 0 HA ARG A 18 6.706 2.634 4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.084 1.477 1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.745 2.855 2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.344 1.618 4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.944 0.570 4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.941 -0.840 2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.069 0.389 2.144 1.00 0.00 H new ATOM 0 HE ARG A 18 10.491 -1.524 4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.151 1.820 3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.625 1.919 4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.383 -1.385 5.499 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.320 0.113 5.519 1.00 0.00 H new ATOM 294 N TRP A 19 6.125 4.765 2.902 1.00 0.00 N ATOM 295 CA TRP A 19 5.673 5.917 2.162 1.00 0.00 C ATOM 296 C TRP A 19 6.028 7.242 2.802 1.00 0.00 C ATOM 297 O TRP A 19 6.228 7.350 4.013 1.00 0.00 O ATOM 298 CB TRP A 19 4.153 5.793 1.953 1.00 0.00 C ATOM 299 CG TRP A 19 3.320 6.561 2.929 1.00 0.00 C ATOM 300 CD1 TRP A 19 3.131 7.909 2.960 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.547 6.019 4.003 1.00 0.00 C ATOM 302 NE1 TRP A 19 2.301 8.245 4.004 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.925 7.098 4.656 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.325 4.724 4.479 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.096 6.920 5.761 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.500 4.549 5.574 1.00 0.00 C ATOM 307 CH2 TRP A 19 0.895 5.642 6.204 1.00 0.00 C ATOM 0 H TRP A 19 6.281 4.903 3.901 1.00 0.00 H new ATOM 0 HA TRP A 19 6.198 5.922 1.207 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.910 6.131 0.945 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.877 4.740 2.011 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.569 8.612 2.266 1.00 0.00 H new ATOM 0 HE1 TRP A 19 2.013 9.191 4.253 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.790 3.875 4.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.629 7.762 6.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.319 3.553 5.949 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.256 5.473 7.058 1.00 0.00 H new ATOM 318 N ARG A 20 6.059 8.248 1.945 1.00 0.00 N ATOM 319 CA ARG A 20 6.331 9.609 2.325 1.00 0.00 C ATOM 320 C ARG A 20 5.785 10.471 1.207 1.00 0.00 C ATOM 321 O ARG A 20 5.699 10.008 0.072 1.00 0.00 O ATOM 322 CB ARG A 20 7.831 9.846 2.540 1.00 0.00 C ATOM 323 CG ARG A 20 8.598 10.171 1.269 1.00 0.00 C ATOM 324 CD ARG A 20 9.149 8.914 0.620 1.00 0.00 C ATOM 325 NE ARG A 20 10.535 9.076 0.193 1.00 0.00 N ATOM 326 CZ ARG A 20 11.554 9.260 1.029 1.00 0.00 C ATOM 327 NH1 ARG A 20 11.349 9.297 2.339 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.784 9.404 0.552 1.00 0.00 N ATOM 0 H ARG A 20 5.891 8.131 0.946 1.00 0.00 H new ATOM 0 HA ARG A 20 5.859 9.854 3.276 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.960 10.664 3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.266 8.957 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.942 10.687 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.417 10.852 1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.082 8.085 1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.534 8.652 -0.241 1.00 0.00 H new ATOM 0 HE ARG A 20 10.735 9.046 -0.807 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.406 9.184 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.134 9.438 2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.948 9.374 -0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.566 9.545 1.192 1.00 0.00 H new ATOM 342 N PRO A 21 5.374 11.703 1.484 1.00 0.00 N ATOM 343 CA PRO A 21 4.803 12.548 0.451 1.00 0.00 C ATOM 344 C PRO A 21 5.727 12.654 -0.744 1.00 0.00 C ATOM 345 O PRO A 21 6.788 13.276 -0.690 1.00 0.00 O ATOM 346 CB PRO A 21 4.637 13.892 1.144 1.00 0.00 C ATOM 347 CG PRO A 21 4.521 13.552 2.581 1.00 0.00 C ATOM 348 CD PRO A 21 5.374 12.344 2.800 1.00 0.00 C ATOM 0 HA PRO A 21 3.865 12.159 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.490 14.544 0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.751 14.417 0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.855 14.381 3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.484 13.349 2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.381 12.613 3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.960 11.691 3.568 1.00 0.00 H new ATOM 356 N LYS A 22 5.283 12.001 -1.810 1.00 0.00 N ATOM 357 CA LYS A 22 5.987 11.927 -3.083 1.00 0.00 C ATOM 358 C LYS A 22 6.989 13.064 -3.275 1.00 0.00 C ATOM 359 O LYS A 22 8.157 12.821 -3.580 1.00 0.00 O ATOM 360 CB LYS A 22 4.952 11.924 -4.191 1.00 0.00 C ATOM 361 CG LYS A 22 5.545 11.977 -5.590 1.00 0.00 C ATOM 362 CD LYS A 22 5.129 13.243 -6.318 1.00 0.00 C ATOM 363 CE LYS A 22 4.379 12.924 -7.601 1.00 0.00 C ATOM 364 NZ LYS A 22 4.836 13.770 -8.737 1.00 0.00 N ATOM 0 H LYS A 22 4.398 11.494 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 22 6.576 11.010 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.340 11.027 -4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.288 12.778 -4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.632 11.931 -5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.221 11.105 -6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.498 13.848 -5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.012 13.838 -6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.520 11.873 -7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.311 13.074 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.300 13.521 -9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.678 14.772 -8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.850 13.608 -8.904 1.00 0.00 H new ATOM 378 N ASN A 23 6.536 14.302 -3.091 1.00 0.00 N ATOM 379 CA ASN A 23 7.415 15.459 -3.245 1.00 0.00 C ATOM 380 C ASN A 23 7.895 15.972 -1.891 1.00 0.00 C ATOM 381 O ASN A 23 9.073 16.285 -1.718 1.00 0.00 O ATOM 382 CB ASN A 23 6.708 16.584 -4.004 1.00 0.00 C ATOM 383 CG ASN A 23 5.198 16.450 -3.985 1.00 0.00 C ATOM 384 OD1 ASN A 23 4.592 16.241 -2.934 1.00 0.00 O ATOM 385 ND2 ASN A 23 4.583 16.577 -5.155 1.00 0.00 N ATOM 0 H ASN A 23 5.574 14.529 -2.837 1.00 0.00 H new ATOM 0 HA ASN A 23 8.282 15.135 -3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.988 17.542 -3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.054 16.592 -5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.567 16.502 -5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.126 16.750 -6.001 1.00 0.00 H new ATOM 392 N SER A 24 6.975 16.060 -0.936 1.00 0.00 N ATOM 393 CA SER A 24 7.302 16.544 0.401 1.00 0.00 C ATOM 394 C SER A 24 7.856 15.423 1.276 1.00 0.00 C ATOM 395 O SER A 24 7.222 15.011 2.247 1.00 0.00 O ATOM 396 CB SER A 24 6.065 17.157 1.060 1.00 0.00 C ATOM 397 OG SER A 24 6.042 18.564 0.893 1.00 0.00 O ATOM 0 H SER A 24 5.996 15.802 -1.063 1.00 0.00 H new ATOM 0 HA SER A 24 8.072 17.309 0.300 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.165 16.722 0.626 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.057 16.914 2.122 1.00 0.00 H new ATOM 0 HG SER A 24 5.241 18.931 1.322 1.00 0.00 H new ATOM 403 N VAL A 25 9.044 14.939 0.931 1.00 0.00 N ATOM 404 CA VAL A 25 9.685 13.872 1.693 1.00 0.00 C ATOM 405 C VAL A 25 9.781 14.241 3.171 1.00 0.00 C ATOM 406 O VAL A 25 10.330 15.284 3.527 1.00 0.00 O ATOM 407 CB VAL A 25 11.095 13.566 1.146 1.00 0.00 C ATOM 408 CG1 VAL A 25 11.930 14.835 1.074 1.00 0.00 C ATOM 409 CG2 VAL A 25 11.787 12.510 1.995 1.00 0.00 C ATOM 0 H VAL A 25 9.583 15.268 0.130 1.00 0.00 H new ATOM 0 HA VAL A 25 9.066 12.981 1.587 1.00 0.00 H new ATOM 0 HB VAL A 25 10.990 13.171 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.920 14.597 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.444 15.553 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.025 15.265 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.779 12.311 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.879 12.870 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.200 11.592 1.984 1.00 0.00 H new ATOM 419 N GLY A 26 9.236 13.383 4.028 1.00 0.00 N ATOM 420 CA GLY A 26 9.266 13.643 5.455 1.00 0.00 C ATOM 421 C GLY A 26 9.172 12.377 6.282 1.00 0.00 C ATOM 422 O GLY A 26 8.119 12.075 6.845 1.00 0.00 O ATOM 0 H GLY A 26 8.775 12.514 3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.188 14.168 5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.441 14.305 5.717 1.00 0.00 H new ATOM 426 N ARG A 27 10.278 11.642 6.356 1.00 0.00 N ATOM 427 CA ARG A 27 10.335 10.399 7.122 1.00 0.00 C ATOM 428 C ARG A 27 9.416 9.334 6.531 1.00 0.00 C ATOM 429 O ARG A 27 8.218 9.555 6.356 1.00 0.00 O ATOM 430 CB ARG A 27 9.969 10.656 8.586 1.00 0.00 C ATOM 431 CG ARG A 27 10.908 11.624 9.284 1.00 0.00 C ATOM 432 CD ARG A 27 11.357 11.086 10.632 1.00 0.00 C ATOM 433 NE ARG A 27 12.565 11.751 11.110 1.00 0.00 N ATOM 434 CZ ARG A 27 13.740 11.143 11.236 1.00 0.00 C ATOM 435 NH1 ARG A 27 13.864 9.861 10.916 1.00 0.00 N ATOM 436 NH2 ARG A 27 14.793 11.813 11.682 1.00 0.00 N ATOM 0 H ARG A 27 11.153 11.887 5.892 1.00 0.00 H new ATOM 0 HA ARG A 27 11.358 10.026 7.070 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.953 11.048 8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.971 9.708 9.125 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.779 11.806 8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.408 12.583 9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.557 11.219 11.360 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.540 10.014 10.552 1.00 0.00 H new ATOM 0 HE ARG A 27 12.504 12.738 11.361 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.057 9.341 10.573 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.767 9.396 11.013 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.703 12.798 11.930 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.693 11.343 11.778 1.00 0.00 H new ATOM 450 N TRP A 28 9.992 8.174 6.233 1.00 0.00 N ATOM 451 CA TRP A 28 9.241 7.059 5.667 1.00 0.00 C ATOM 452 C TRP A 28 8.157 6.587 6.637 1.00 0.00 C ATOM 453 O TRP A 28 8.170 6.939 7.817 1.00 0.00 O ATOM 454 CB TRP A 28 10.185 5.891 5.371 1.00 0.00 C ATOM 455 CG TRP A 28 10.904 5.997 4.061 1.00 0.00 C ATOM 456 CD1 TRP A 28 12.239 6.216 3.875 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.333 5.871 2.753 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.533 6.234 2.534 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.379 6.025 1.824 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.040 5.642 2.277 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.171 5.956 0.448 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.832 5.576 0.911 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.894 5.732 0.011 1.00 0.00 C ATOM 0 H TRP A 28 10.983 7.981 6.375 1.00 0.00 H new ATOM 0 HA TRP A 28 8.771 7.401 4.745 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.921 5.822 6.172 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.612 4.964 5.384 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.959 6.355 4.668 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.459 6.379 2.132 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.216 5.518 2.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.988 6.075 -0.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.836 5.402 0.533 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.701 5.674 -1.050 1.00 0.00 H new ATOM 474 N LYS A 29 7.238 5.764 6.137 1.00 0.00 N ATOM 475 CA LYS A 29 6.165 5.212 6.960 1.00 0.00 C ATOM 476 C LYS A 29 6.152 3.698 6.807 1.00 0.00 C ATOM 477 O LYS A 29 6.595 3.186 5.785 1.00 0.00 O ATOM 478 CB LYS A 29 4.816 5.801 6.548 1.00 0.00 C ATOM 479 CG LYS A 29 4.729 7.306 6.734 1.00 0.00 C ATOM 480 CD LYS A 29 4.167 7.669 8.099 1.00 0.00 C ATOM 481 CE LYS A 29 5.271 8.047 9.073 1.00 0.00 C ATOM 482 NZ LYS A 29 5.144 9.456 9.535 1.00 0.00 N ATOM 0 H LYS A 29 7.215 5.464 5.162 1.00 0.00 H new ATOM 0 HA LYS A 29 6.340 5.471 8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.628 5.561 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.027 5.325 7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.720 7.745 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.098 7.734 5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.470 8.501 7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.602 6.826 8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.241 7.379 9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.241 7.908 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.915 9.675 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.198 10.096 8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.230 9.583 10.014 1.00 0.00 H new ATOM 496 N GLU A 30 5.675 2.977 7.822 1.00 0.00 N ATOM 497 CA GLU A 30 5.661 1.515 7.756 1.00 0.00 C ATOM 498 C GLU A 30 4.298 0.914 8.092 1.00 0.00 C ATOM 499 O GLU A 30 3.748 1.143 9.170 1.00 0.00 O ATOM 500 CB GLU A 30 6.715 0.934 8.700 1.00 0.00 C ATOM 501 CG GLU A 30 7.913 1.843 8.915 1.00 0.00 C ATOM 502 CD GLU A 30 9.149 1.361 8.183 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.053 1.096 6.966 1.00 0.00 O ATOM 504 OE2 GLU A 30 10.213 1.248 8.826 1.00 0.00 O ATOM 0 H GLU A 30 5.300 3.372 8.684 1.00 0.00 H new ATOM 0 HA GLU A 30 5.888 1.251 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.251 0.726 9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.061 -0.019 8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.665 2.850 8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.129 1.907 9.981 1.00 0.00 H new ATOM 511 N ALA A 31 3.783 0.114 7.162 1.00 0.00 N ATOM 512 CA ALA A 31 2.506 -0.574 7.335 1.00 0.00 C ATOM 513 C ALA A 31 2.575 -1.967 6.712 1.00 0.00 C ATOM 514 O ALA A 31 2.668 -2.100 5.494 1.00 0.00 O ATOM 515 CB ALA A 31 1.371 0.232 6.719 1.00 0.00 C ATOM 0 H ALA A 31 4.238 -0.076 6.269 1.00 0.00 H new ATOM 0 HA ALA A 31 2.307 -0.675 8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.430 -0.299 6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.313 1.207 7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.556 0.366 5.653 1.00 0.00 H new ATOM 521 N THR A 32 2.540 -3.006 7.543 1.00 0.00 N ATOM 522 CA THR A 32 2.611 -4.375 7.037 1.00 0.00 C ATOM 523 C THR A 32 1.241 -5.041 7.007 1.00 0.00 C ATOM 524 O THR A 32 0.529 -5.076 8.012 1.00 0.00 O ATOM 525 CB THR A 32 3.571 -5.248 7.869 1.00 0.00 C ATOM 526 OG1 THR A 32 4.625 -4.443 8.410 1.00 0.00 O ATOM 527 CG2 THR A 32 4.166 -6.363 7.015 1.00 0.00 C ATOM 0 H THR A 32 2.464 -2.929 8.557 1.00 0.00 H new ATOM 0 HA THR A 32 2.993 -4.297 6.019 1.00 0.00 H new ATOM 0 HB THR A 32 3.003 -5.697 8.684 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.229 -5.006 8.938 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.840 -6.966 7.623 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.364 -6.992 6.629 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.719 -5.928 6.183 1.00 0.00 H new ATOM 535 N ILE A 33 0.888 -5.578 5.845 1.00 0.00 N ATOM 536 CA ILE A 33 -0.386 -6.262 5.659 1.00 0.00 C ATOM 537 C ILE A 33 -0.189 -7.525 4.822 1.00 0.00 C ATOM 538 O ILE A 33 0.039 -7.444 3.620 1.00 0.00 O ATOM 539 CB ILE A 33 -1.415 -5.355 4.957 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.725 -4.117 4.366 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.519 -4.963 5.923 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.797 -2.876 5.231 1.00 0.00 C ATOM 0 H ILE A 33 1.473 -5.552 5.010 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.764 -6.523 6.647 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.869 -5.908 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.323 -4.355 4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.175 -3.895 3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.238 -4.322 5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.023 -5.860 6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.089 -4.425 6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.283 -2.054 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.840 -2.606 5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.319 -3.073 6.191 1.00 0.00 H new ATOM 554 N PRO A 34 -0.262 -8.713 5.445 1.00 0.00 N ATOM 555 CA PRO A 34 -0.071 -9.983 4.734 1.00 0.00 C ATOM 556 C PRO A 34 -1.241 -10.341 3.824 1.00 0.00 C ATOM 557 O PRO A 34 -2.336 -10.649 4.294 1.00 0.00 O ATOM 558 CB PRO A 34 0.061 -11.002 5.863 1.00 0.00 C ATOM 559 CG PRO A 34 -0.709 -10.409 6.992 1.00 0.00 C ATOM 560 CD PRO A 34 -0.520 -8.919 6.883 1.00 0.00 C ATOM 0 HA PRO A 34 0.791 -9.944 4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.344 -11.971 5.572 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.105 -11.161 6.134 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.764 -10.675 6.927 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.345 -10.780 7.950 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.405 -8.376 7.215 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.313 -8.574 7.495 1.00 0.00 H new ATOM 568 N GLY A 35 -0.993 -10.310 2.516 1.00 0.00 N ATOM 569 CA GLY A 35 -2.024 -10.645 1.548 1.00 0.00 C ATOM 570 C GLY A 35 -3.209 -9.701 1.588 1.00 0.00 C ATOM 571 O GLY A 35 -4.244 -9.975 0.981 1.00 0.00 O ATOM 0 H GLY A 35 -0.093 -10.058 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.592 -10.633 0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.371 -11.662 1.733 1.00 0.00 H new ATOM 575 N HIS A 36 -3.059 -8.589 2.302 1.00 0.00 N ATOM 576 CA HIS A 36 -4.129 -7.602 2.416 1.00 0.00 C ATOM 577 C HIS A 36 -5.419 -8.253 2.908 1.00 0.00 C ATOM 578 O HIS A 36 -6.286 -8.619 2.113 1.00 0.00 O ATOM 579 CB HIS A 36 -4.372 -6.916 1.070 1.00 0.00 C ATOM 580 CG HIS A 36 -3.780 -5.542 0.981 1.00 0.00 C ATOM 581 ND1 HIS A 36 -3.158 -5.104 -0.162 1.00 0.00 N ATOM 582 CD2 HIS A 36 -3.741 -4.557 1.912 1.00 0.00 C ATOM 583 CE1 HIS A 36 -2.758 -3.871 0.093 1.00 0.00 C ATOM 584 NE2 HIS A 36 -3.089 -3.497 1.338 1.00 0.00 N ATOM 0 H HIS A 36 -2.208 -8.349 2.810 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.818 -6.853 3.144 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.954 -7.535 0.276 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.446 -6.852 0.893 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.146 -4.600 2.912 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.232 -3.244 -0.611 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.893 -2.596 1.774 1.00 0.00 H new ATOM 592 N LEU A 37 -5.537 -8.393 4.223 1.00 0.00 N ATOM 593 CA LEU A 37 -6.722 -9.000 4.826 1.00 0.00 C ATOM 594 C LEU A 37 -7.953 -8.128 4.596 1.00 0.00 C ATOM 595 O LEU A 37 -9.086 -8.595 4.714 1.00 0.00 O ATOM 596 CB LEU A 37 -6.534 -9.252 6.335 1.00 0.00 C ATOM 597 CG LEU A 37 -5.407 -8.476 7.039 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.043 -9.040 6.668 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.482 -6.987 6.723 1.00 0.00 C ATOM 0 H LEU A 37 -4.828 -8.095 4.893 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.870 -9.964 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.472 -9.016 6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.354 -10.317 6.480 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.543 -8.597 8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.264 -8.474 7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.988 -10.086 6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.899 -8.964 5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.673 -6.465 7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.387 -6.838 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.440 -6.591 7.061 1.00 0.00 H new ATOM 611 N ASN A 38 -7.722 -6.862 4.264 1.00 0.00 N ATOM 612 CA ASN A 38 -8.812 -5.926 4.013 1.00 0.00 C ATOM 613 C ASN A 38 -8.320 -4.728 3.207 1.00 0.00 C ATOM 614 O ASN A 38 -7.149 -4.656 2.835 1.00 0.00 O ATOM 615 CB ASN A 38 -9.427 -5.456 5.332 1.00 0.00 C ATOM 616 CG ASN A 38 -8.407 -5.372 6.451 1.00 0.00 C ATOM 617 OD1 ASN A 38 -8.453 -6.148 7.406 1.00 0.00 O ATOM 618 ND2 ASN A 38 -7.482 -4.427 6.339 1.00 0.00 N ATOM 0 H ASN A 38 -6.790 -6.461 4.163 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.577 -6.443 3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.884 -4.477 5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.224 -6.141 5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.770 -4.322 7.062 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.483 -3.806 5.530 1.00 0.00 H new ATOM 625 N SER A 39 -9.223 -3.791 2.939 1.00 0.00 N ATOM 626 CA SER A 39 -8.881 -2.596 2.175 1.00 0.00 C ATOM 627 C SER A 39 -8.140 -1.587 3.045 1.00 0.00 C ATOM 628 O SER A 39 -8.739 -0.926 3.894 1.00 0.00 O ATOM 629 CB SER A 39 -10.144 -1.957 1.595 1.00 0.00 C ATOM 630 OG SER A 39 -10.068 -1.863 0.183 1.00 0.00 O ATOM 0 H SER A 39 -10.197 -3.835 3.239 1.00 0.00 H new ATOM 0 HA SER A 39 -8.225 -2.894 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.016 -2.548 1.876 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.281 -0.963 2.022 1.00 0.00 H new ATOM 0 HG SER A 39 -10.888 -1.453 -0.162 1.00 0.00 H new ATOM 636 N TYR A 40 -6.834 -1.472 2.829 1.00 0.00 N ATOM 637 CA TYR A 40 -6.011 -0.543 3.593 1.00 0.00 C ATOM 638 C TYR A 40 -5.756 0.736 2.802 1.00 0.00 C ATOM 639 O TYR A 40 -4.966 0.746 1.858 1.00 0.00 O ATOM 640 CB TYR A 40 -4.681 -1.198 3.974 1.00 0.00 C ATOM 641 CG TYR A 40 -3.964 -0.499 5.107 1.00 0.00 C ATOM 642 CD1 TYR A 40 -3.170 0.616 4.870 1.00 0.00 C ATOM 643 CD2 TYR A 40 -4.083 -0.955 6.413 1.00 0.00 C ATOM 644 CE1 TYR A 40 -2.514 1.256 5.905 1.00 0.00 C ATOM 645 CE2 TYR A 40 -3.432 -0.320 7.453 1.00 0.00 C ATOM 646 CZ TYR A 40 -2.648 0.784 7.193 1.00 0.00 C ATOM 647 OH TYR A 40 -1.997 1.419 8.225 1.00 0.00 O ATOM 0 H TYR A 40 -6.323 -2.011 2.130 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.551 -0.283 4.503 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.864 -2.235 4.256 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.031 -1.215 3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.064 0.989 3.862 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.695 -1.821 6.619 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.900 2.121 5.705 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.537 -0.686 8.464 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.197 0.962 9.068 1.00 0.00 H new ATOM 657 N THR A 41 -6.431 1.811 3.195 1.00 0.00 N ATOM 658 CA THR A 41 -6.279 3.097 2.525 1.00 0.00 C ATOM 659 C THR A 41 -5.825 4.178 3.501 1.00 0.00 C ATOM 660 O THR A 41 -6.202 4.170 4.673 1.00 0.00 O ATOM 661 CB THR A 41 -7.594 3.546 1.861 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.556 3.896 2.863 1.00 0.00 O ATOM 663 CG2 THR A 41 -8.158 2.446 0.972 1.00 0.00 C ATOM 0 H THR A 41 -7.089 1.817 3.974 1.00 0.00 H new ATOM 0 HA THR A 41 -5.519 2.961 1.756 1.00 0.00 H new ATOM 0 HB THR A 41 -7.381 4.417 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.388 4.182 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.087 2.788 0.515 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.437 2.204 0.191 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.355 1.558 1.573 1.00 0.00 H new ATOM 671 N ILE A 42 -5.018 5.111 3.006 1.00 0.00 N ATOM 672 CA ILE A 42 -4.515 6.205 3.825 1.00 0.00 C ATOM 673 C ILE A 42 -5.372 7.449 3.627 1.00 0.00 C ATOM 674 O ILE A 42 -5.719 7.802 2.500 1.00 0.00 O ATOM 675 CB ILE A 42 -3.047 6.530 3.487 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.145 5.353 3.865 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.601 7.798 4.201 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.551 4.638 2.671 1.00 0.00 C ATOM 0 H ILE A 42 -4.698 5.130 2.038 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.566 5.889 4.867 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.966 6.699 2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.337 5.715 4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.720 4.640 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.562 8.011 3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.228 8.632 3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.693 7.660 5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.923 3.816 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.353 4.246 2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.948 5.337 2.091 1.00 0.00 H new ATOM 690 N LYS A 43 -5.729 8.098 4.729 1.00 0.00 N ATOM 691 CA LYS A 43 -6.567 9.286 4.671 1.00 0.00 C ATOM 692 C LYS A 43 -5.782 10.554 5.002 1.00 0.00 C ATOM 693 O LYS A 43 -6.315 11.659 4.901 1.00 0.00 O ATOM 694 CB LYS A 43 -7.750 9.133 5.622 1.00 0.00 C ATOM 695 CG LYS A 43 -8.456 7.793 5.493 1.00 0.00 C ATOM 696 CD LYS A 43 -9.589 7.855 4.482 1.00 0.00 C ATOM 697 CE LYS A 43 -10.647 6.802 4.768 1.00 0.00 C ATOM 698 NZ LYS A 43 -11.966 7.412 5.093 1.00 0.00 N ATOM 0 H LYS A 43 -5.451 7.821 5.671 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.932 9.387 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.401 9.255 6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.466 9.933 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.738 7.030 5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.850 7.493 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.044 8.845 4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.191 7.709 3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.753 6.149 3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.321 6.177 5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.659 6.660 5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.872 8.015 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.290 7.988 4.290 1.00 0.00 H new ATOM 712 N GLY A 44 -4.517 10.394 5.384 1.00 0.00 N ATOM 713 CA GLY A 44 -3.695 11.550 5.702 1.00 0.00 C ATOM 714 C GLY A 44 -3.695 12.557 4.569 1.00 0.00 C ATOM 715 O GLY A 44 -4.165 13.683 4.730 1.00 0.00 O ATOM 0 H GLY A 44 -4.049 9.492 5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.066 12.023 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.674 11.228 5.904 1.00 0.00 H new ATOM 719 N LEU A 45 -3.174 12.129 3.420 1.00 0.00 N ATOM 720 CA LEU A 45 -3.111 12.965 2.218 1.00 0.00 C ATOM 721 C LEU A 45 -4.347 13.843 2.089 1.00 0.00 C ATOM 722 O LEU A 45 -5.443 13.354 1.813 1.00 0.00 O ATOM 723 CB LEU A 45 -2.971 12.081 0.970 1.00 0.00 C ATOM 724 CG LEU A 45 -3.400 10.623 1.175 1.00 0.00 C ATOM 725 CD1 LEU A 45 -4.238 10.127 0.011 1.00 0.00 C ATOM 726 CD2 LEU A 45 -2.185 9.729 1.374 1.00 0.00 C ATOM 0 H LEU A 45 -2.784 11.195 3.294 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.240 13.614 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.566 12.512 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.932 12.098 0.642 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.015 10.581 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.527 9.091 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.133 10.742 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.657 10.191 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.511 8.699 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.543 9.787 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.630 10.060 2.252 1.00 0.00 H new ATOM 738 N LYS A 46 -4.165 15.143 2.286 1.00 0.00 N ATOM 739 CA LYS A 46 -5.268 16.087 2.184 1.00 0.00 C ATOM 740 C LYS A 46 -5.208 16.840 0.858 1.00 0.00 C ATOM 741 O LYS A 46 -4.150 16.930 0.238 1.00 0.00 O ATOM 742 CB LYS A 46 -5.246 17.069 3.359 1.00 0.00 C ATOM 743 CG LYS A 46 -3.947 17.847 3.480 1.00 0.00 C ATOM 744 CD LYS A 46 -4.179 19.342 3.331 1.00 0.00 C ATOM 745 CE LYS A 46 -3.520 20.125 4.457 1.00 0.00 C ATOM 746 NZ LYS A 46 -3.024 21.450 3.995 1.00 0.00 N ATOM 0 H LYS A 46 -3.266 15.566 2.517 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.203 15.527 2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.072 17.772 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.417 16.519 4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.488 17.643 4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.246 17.508 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.783 19.679 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.250 19.546 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.235 20.267 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.689 19.548 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.582 21.952 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.323 21.314 3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.820 22.011 3.631 1.00 0.00 H new ATOM 760 N PRO A 47 -6.354 17.382 0.400 1.00 0.00 N ATOM 761 CA PRO A 47 -6.450 18.115 -0.865 1.00 0.00 C ATOM 762 C PRO A 47 -5.279 19.066 -1.104 1.00 0.00 C ATOM 763 O PRO A 47 -5.197 20.137 -0.504 1.00 0.00 O ATOM 764 CB PRO A 47 -7.776 18.884 -0.744 1.00 0.00 C ATOM 765 CG PRO A 47 -8.292 18.606 0.633 1.00 0.00 C ATOM 766 CD PRO A 47 -7.657 17.317 1.064 1.00 0.00 C ATOM 0 HA PRO A 47 -6.417 17.438 -1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.622 19.953 -0.894 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.488 18.555 -1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.034 19.415 1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.379 18.524 0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.560 17.253 2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.235 16.450 0.744 1.00 0.00 H new ATOM 774 N GLY A 48 -4.378 18.659 -2.002 1.00 0.00 N ATOM 775 CA GLY A 48 -3.222 19.473 -2.332 1.00 0.00 C ATOM 776 C GLY A 48 -1.896 18.755 -2.123 1.00 0.00 C ATOM 777 O GLY A 48 -0.852 19.247 -2.553 1.00 0.00 O ATOM 0 H GLY A 48 -4.432 17.775 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.295 19.789 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.237 20.376 -1.722 1.00 0.00 H new ATOM 781 N VAL A 49 -1.925 17.605 -1.451 1.00 0.00 N ATOM 782 CA VAL A 49 -0.701 16.848 -1.178 1.00 0.00 C ATOM 783 C VAL A 49 -0.725 15.435 -1.757 1.00 0.00 C ATOM 784 O VAL A 49 -1.733 14.731 -1.681 1.00 0.00 O ATOM 785 CB VAL A 49 -0.419 16.743 0.332 1.00 0.00 C ATOM 786 CG1 VAL A 49 -1.431 15.829 1.005 1.00 0.00 C ATOM 787 CG2 VAL A 49 1.002 16.247 0.566 1.00 0.00 C ATOM 0 H VAL A 49 -2.777 17.178 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 49 0.091 17.413 -1.670 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.516 17.734 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.214 15.768 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.435 16.229 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.371 14.833 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.191 16.176 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.124 15.264 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.709 16.945 0.118 1.00 0.00 H new ATOM 797 N VAL A 50 0.413 15.019 -2.307 1.00 0.00 N ATOM 798 CA VAL A 50 0.557 13.680 -2.866 1.00 0.00 C ATOM 799 C VAL A 50 1.513 12.857 -2.001 1.00 0.00 C ATOM 800 O VAL A 50 2.622 13.299 -1.701 1.00 0.00 O ATOM 801 CB VAL A 50 1.081 13.717 -4.317 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.211 14.722 -4.452 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.534 12.333 -4.763 1.00 0.00 C ATOM 0 H VAL A 50 1.252 15.594 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.431 13.219 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 50 0.264 14.032 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.567 14.733 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.850 15.714 -4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.029 14.441 -3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.899 12.383 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.333 11.984 -4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.694 11.641 -4.710 1.00 0.00 H new ATOM 813 N TYR A 51 1.078 11.666 -1.600 1.00 0.00 N ATOM 814 CA TYR A 51 1.901 10.795 -0.764 1.00 0.00 C ATOM 815 C TYR A 51 2.423 9.613 -1.559 1.00 0.00 C ATOM 816 O TYR A 51 1.643 8.810 -2.068 1.00 0.00 O ATOM 817 CB TYR A 51 1.095 10.260 0.417 1.00 0.00 C ATOM 818 CG TYR A 51 1.074 11.162 1.627 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.125 12.160 1.744 1.00 0.00 C ATOM 820 CD2 TYR A 51 1.982 10.998 2.662 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.077 12.974 2.857 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.945 11.809 3.781 1.00 0.00 C ATOM 823 CZ TYR A 51 0.989 12.796 3.874 1.00 0.00 C ATOM 824 OH TYR A 51 0.943 13.605 4.986 1.00 0.00 O ATOM 0 H TYR A 51 0.164 11.282 -1.839 1.00 0.00 H new ATOM 0 HA TYR A 51 2.738 11.393 -0.403 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.069 10.088 0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.503 9.292 0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.592 12.305 0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.731 10.223 2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.673 13.748 2.931 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.661 11.669 4.577 1.00 0.00 H new ATOM 0 HH TYR A 51 1.655 13.346 5.608 1.00 0.00 H new ATOM 834 N GLU A 52 3.738 9.484 -1.640 1.00 0.00 N ATOM 835 CA GLU A 52 4.327 8.362 -2.355 1.00 0.00 C ATOM 836 C GLU A 52 4.306 7.131 -1.468 1.00 0.00 C ATOM 837 O GLU A 52 4.785 7.176 -0.344 1.00 0.00 O ATOM 838 CB GLU A 52 5.761 8.683 -2.782 1.00 0.00 C ATOM 839 CG GLU A 52 6.627 7.453 -3.009 1.00 0.00 C ATOM 840 CD GLU A 52 7.876 7.759 -3.814 1.00 0.00 C ATOM 841 OE1 GLU A 52 8.291 8.937 -3.841 1.00 0.00 O ATOM 842 OE2 GLU A 52 8.436 6.821 -4.417 1.00 0.00 O ATOM 0 H GLU A 52 4.409 10.131 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 52 3.742 8.171 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.733 9.270 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.226 9.307 -2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.914 7.033 -2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.043 6.692 -3.527 1.00 0.00 H new ATOM 849 N GLY A 53 3.755 6.038 -1.983 1.00 0.00 N ATOM 850 CA GLY A 53 3.683 4.811 -1.212 1.00 0.00 C ATOM 851 C GLY A 53 4.493 3.692 -1.826 1.00 0.00 C ATOM 852 O GLY A 53 4.704 3.667 -3.036 1.00 0.00 O ATOM 0 H GLY A 53 3.357 5.979 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.040 5.000 -0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.642 4.498 -1.129 1.00 0.00 H new ATOM 856 N GLN A 54 4.957 2.765 -0.994 1.00 0.00 N ATOM 857 CA GLN A 54 5.756 1.648 -1.487 1.00 0.00 C ATOM 858 C GLN A 54 5.245 0.316 -0.956 1.00 0.00 C ATOM 859 O GLN A 54 5.268 0.067 0.248 1.00 0.00 O ATOM 860 CB GLN A 54 7.224 1.828 -1.096 1.00 0.00 C ATOM 861 CG GLN A 54 7.833 3.120 -1.609 1.00 0.00 C ATOM 862 CD GLN A 54 9.103 2.891 -2.407 1.00 0.00 C ATOM 863 OE1 GLN A 54 9.632 1.780 -2.449 1.00 0.00 O ATOM 864 NE2 GLN A 54 9.598 3.944 -3.046 1.00 0.00 N ATOM 0 H GLN A 54 4.796 2.764 0.013 1.00 0.00 H new ATOM 0 HA GLN A 54 5.668 1.639 -2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.308 1.802 -0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.800 0.986 -1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.105 3.638 -2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.052 3.774 -0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.127 4.846 -2.984 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.450 3.851 -3.599 1.00 0.00 H new ATOM 873 N LEU A 55 4.797 -0.545 -1.863 1.00 0.00 N ATOM 874 CA LEU A 55 4.301 -1.856 -1.474 1.00 0.00 C ATOM 875 C LEU A 55 5.370 -2.914 -1.713 1.00 0.00 C ATOM 876 O LEU A 55 5.646 -3.287 -2.854 1.00 0.00 O ATOM 877 CB LEU A 55 3.034 -2.204 -2.259 1.00 0.00 C ATOM 878 CG LEU A 55 1.731 -1.700 -1.639 1.00 0.00 C ATOM 879 CD1 LEU A 55 0.652 -1.561 -2.700 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.271 -2.632 -0.531 1.00 0.00 C ATOM 0 H LEU A 55 4.768 -0.359 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 55 4.057 -1.832 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.123 -1.793 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.975 -3.288 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 55 1.916 -0.717 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.268 -1.201 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.978 -0.851 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.470 -2.531 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.342 -2.256 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.105 -3.629 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.035 -2.680 0.245 1.00 0.00 H new ATOM 892 N ILE A 56 5.972 -3.392 -0.629 1.00 0.00 N ATOM 893 CA ILE A 56 7.015 -4.403 -0.721 1.00 0.00 C ATOM 894 C ILE A 56 6.516 -5.743 -0.193 1.00 0.00 C ATOM 895 O ILE A 56 6.248 -5.897 0.996 1.00 0.00 O ATOM 896 CB ILE A 56 8.276 -3.981 0.069 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.035 -2.878 -0.673 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.187 -5.175 0.318 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.287 -1.564 -0.752 1.00 0.00 C ATOM 0 H ILE A 56 5.755 -3.095 0.322 1.00 0.00 H new ATOM 0 HA ILE A 56 7.277 -4.504 -1.774 1.00 0.00 H new ATOM 0 HB ILE A 56 7.952 -3.591 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.991 -2.711 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.256 -3.220 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.066 -4.852 0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.650 -5.929 0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.498 -5.600 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.890 -0.834 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.343 -1.714 -1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.089 -1.197 0.255 1.00 0.00 H new ATOM 911 N SER A 57 6.413 -6.711 -1.088 1.00 0.00 N ATOM 912 CA SER A 57 5.960 -8.044 -0.725 1.00 0.00 C ATOM 913 C SER A 57 7.135 -8.892 -0.275 1.00 0.00 C ATOM 914 O SER A 57 8.076 -9.081 -1.021 1.00 0.00 O ATOM 915 CB SER A 57 5.292 -8.704 -1.918 1.00 0.00 C ATOM 916 OG SER A 57 3.911 -8.412 -1.957 1.00 0.00 O ATOM 0 H SER A 57 6.638 -6.598 -2.076 1.00 0.00 H new ATOM 0 HA SER A 57 5.245 -7.959 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.765 -8.361 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.437 -9.783 -1.868 1.00 0.00 H new ATOM 0 HG SER A 57 3.784 -7.457 -2.135 1.00 0.00 H new ATOM 922 N ILE A 58 7.084 -9.392 0.944 1.00 0.00 N ATOM 923 CA ILE A 58 8.167 -10.206 1.463 1.00 0.00 C ATOM 924 C ILE A 58 7.744 -11.644 1.723 1.00 0.00 C ATOM 925 O ILE A 58 6.705 -11.908 2.332 1.00 0.00 O ATOM 926 CB ILE A 58 8.768 -9.601 2.742 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.665 -8.419 2.352 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.540 -10.663 3.522 1.00 0.00 C ATOM 929 CD1 ILE A 58 10.775 -8.110 3.339 1.00 0.00 C ATOM 0 H ILE A 58 6.309 -9.250 1.591 1.00 0.00 H new ATOM 0 HA ILE A 58 8.931 -10.217 0.685 1.00 0.00 H new ATOM 0 HB ILE A 58 7.974 -9.239 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.110 -8.625 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.043 -7.531 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.959 -10.219 4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.866 -11.475 3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.347 -11.055 2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 58 11.356 -7.261 2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.342 -7.868 4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.426 -8.979 3.438 1.00 0.00 H new ATOM 941 N GLN A 59 8.584 -12.559 1.261 1.00 0.00 N ATOM 942 CA GLN A 59 8.365 -13.983 1.432 1.00 0.00 C ATOM 943 C GLN A 59 9.145 -14.482 2.642 1.00 0.00 C ATOM 944 O GLN A 59 9.752 -13.694 3.366 1.00 0.00 O ATOM 945 CB GLN A 59 8.800 -14.745 0.180 1.00 0.00 C ATOM 946 CG GLN A 59 7.669 -15.498 -0.498 1.00 0.00 C ATOM 947 CD GLN A 59 8.153 -16.368 -1.643 1.00 0.00 C ATOM 948 OE1 GLN A 59 7.727 -16.203 -2.785 1.00 0.00 O ATOM 949 NE2 GLN A 59 9.048 -17.301 -1.340 1.00 0.00 N ATOM 0 H GLN A 59 9.440 -12.331 0.755 1.00 0.00 H new ATOM 0 HA GLN A 59 7.301 -14.158 1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.234 -14.042 -0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.585 -15.451 0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.160 -16.121 0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.936 -14.784 -0.873 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.374 -17.402 -0.379 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.410 -17.916 -2.069 1.00 0.00 H new ATOM 958 N GLN A 60 9.122 -15.787 2.857 1.00 0.00 N ATOM 959 CA GLN A 60 9.828 -16.386 3.985 1.00 0.00 C ATOM 960 C GLN A 60 11.341 -16.188 3.866 1.00 0.00 C ATOM 961 O GLN A 60 12.091 -16.525 4.782 1.00 0.00 O ATOM 962 CB GLN A 60 9.505 -17.878 4.074 1.00 0.00 C ATOM 963 CG GLN A 60 9.679 -18.615 2.757 1.00 0.00 C ATOM 964 CD GLN A 60 10.242 -20.011 2.939 1.00 0.00 C ATOM 965 OE1 GLN A 60 9.531 -21.005 2.789 1.00 0.00 O ATOM 966 NE2 GLN A 60 11.527 -20.093 3.265 1.00 0.00 N ATOM 0 H GLN A 60 8.624 -16.454 2.268 1.00 0.00 H new ATOM 0 HA GLN A 60 9.492 -15.886 4.893 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.148 -18.337 4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.477 -17.999 4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.716 -18.679 2.251 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.342 -18.042 2.109 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.079 -19.243 3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.961 -21.006 3.401 1.00 0.00 H new ATOM 975 N TYR A 61 11.783 -15.648 2.732 1.00 0.00 N ATOM 976 CA TYR A 61 13.208 -15.416 2.497 1.00 0.00 C ATOM 977 C TYR A 61 13.577 -13.943 2.669 1.00 0.00 C ATOM 978 O TYR A 61 14.718 -13.551 2.425 1.00 0.00 O ATOM 979 CB TYR A 61 13.592 -15.877 1.089 1.00 0.00 C ATOM 980 CG TYR A 61 13.532 -17.375 0.902 1.00 0.00 C ATOM 981 CD1 TYR A 61 14.358 -18.220 1.631 1.00 0.00 C ATOM 982 CD2 TYR A 61 12.649 -17.945 -0.008 1.00 0.00 C ATOM 983 CE1 TYR A 61 14.308 -19.591 1.460 1.00 0.00 C ATOM 984 CE2 TYR A 61 12.591 -19.314 -0.184 1.00 0.00 C ATOM 985 CZ TYR A 61 13.423 -20.131 0.551 1.00 0.00 C ATOM 986 OH TYR A 61 13.369 -21.495 0.378 1.00 0.00 O ATOM 0 H TYR A 61 11.177 -15.363 1.963 1.00 0.00 H new ATOM 0 HA TYR A 61 13.760 -15.994 3.238 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.927 -15.403 0.367 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.602 -15.532 0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 61 15.052 -17.799 2.344 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.998 -17.307 -0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.958 -20.235 2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.898 -19.742 -0.893 1.00 0.00 H new ATOM 0 HH TYR A 61 12.693 -21.713 -0.297 1.00 0.00 H new ATOM 996 N GLY A 62 12.608 -13.132 3.077 1.00 0.00 N ATOM 997 CA GLY A 62 12.857 -11.711 3.259 1.00 0.00 C ATOM 998 C GLY A 62 12.529 -10.916 2.011 1.00 0.00 C ATOM 999 O GLY A 62 11.475 -11.116 1.409 1.00 0.00 O ATOM 0 H GLY A 62 11.655 -13.431 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.260 -11.341 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.903 -11.557 3.523 1.00 0.00 H new ATOM 1003 N HIS A 63 13.433 -10.017 1.616 1.00 0.00 N ATOM 1004 CA HIS A 63 13.227 -9.198 0.422 1.00 0.00 C ATOM 1005 C HIS A 63 12.690 -10.055 -0.718 1.00 0.00 C ATOM 1006 O HIS A 63 13.428 -10.829 -1.329 1.00 0.00 O ATOM 1007 CB HIS A 63 14.533 -8.521 0.007 1.00 0.00 C ATOM 1008 CG HIS A 63 14.950 -7.419 0.932 1.00 0.00 C ATOM 1009 ND1 HIS A 63 15.693 -7.673 2.059 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.700 -6.089 0.858 1.00 0.00 C ATOM 1011 CE1 HIS A 63 15.878 -6.502 2.642 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.294 -5.513 1.951 1.00 0.00 N ATOM 0 H HIS A 63 14.311 -9.839 2.104 1.00 0.00 H new ATOM 0 HA HIS A 63 12.495 -8.424 0.653 1.00 0.00 H new ATOM 0 HB2 HIS A 63 15.324 -9.269 -0.035 1.00 0.00 H new ATOM 0 HB3 HIS A 63 14.421 -8.118 -1.000 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.141 -5.581 0.087 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.430 -6.360 3.559 1.00 0.00 H new ATOM 0 HE2 HIS A 63 15.292 -4.522 2.192 1.00 0.00 H new ATOM 1020 N GLN A 64 11.389 -9.942 -0.971 1.00 0.00 N ATOM 1021 CA GLN A 64 10.744 -10.737 -2.006 1.00 0.00 C ATOM 1022 C GLN A 64 10.304 -9.896 -3.211 1.00 0.00 C ATOM 1023 O GLN A 64 10.623 -10.224 -4.354 1.00 0.00 O ATOM 1024 CB GLN A 64 9.543 -11.466 -1.405 1.00 0.00 C ATOM 1025 CG GLN A 64 8.667 -12.146 -2.437 1.00 0.00 C ATOM 1026 CD GLN A 64 9.347 -13.342 -3.075 1.00 0.00 C ATOM 1027 OE1 GLN A 64 9.047 -13.709 -4.210 1.00 0.00 O ATOM 1028 NE2 GLN A 64 10.271 -13.956 -2.342 1.00 0.00 N ATOM 0 H GLN A 64 10.764 -9.308 -0.473 1.00 0.00 H new ATOM 0 HA GLN A 64 11.476 -11.455 -2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.900 -12.212 -0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.940 -10.753 -0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.738 -12.468 -1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.399 -11.428 -3.212 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.487 -13.616 -1.405 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.764 -14.767 -2.717 1.00 0.00 H new ATOM 1037 N GLU A 65 9.556 -8.829 -2.950 1.00 0.00 N ATOM 1038 CA GLU A 65 9.053 -7.957 -4.009 1.00 0.00 C ATOM 1039 C GLU A 65 8.978 -6.514 -3.544 1.00 0.00 C ATOM 1040 O GLU A 65 8.699 -6.240 -2.379 1.00 0.00 O ATOM 1041 CB GLU A 65 7.671 -8.421 -4.475 1.00 0.00 C ATOM 1042 CG GLU A 65 7.617 -8.798 -5.947 1.00 0.00 C ATOM 1043 CD GLU A 65 7.888 -7.618 -6.861 1.00 0.00 C ATOM 1044 OE1 GLU A 65 7.009 -6.738 -6.972 1.00 0.00 O ATOM 1045 OE2 GLU A 65 8.981 -7.573 -7.465 1.00 0.00 O ATOM 0 H GLU A 65 9.283 -8.545 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 65 9.752 -8.015 -4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.365 -9.280 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.948 -7.628 -4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.348 -9.582 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.635 -9.213 -6.176 1.00 0.00 H new ATOM 1052 N VAL A 66 9.248 -5.599 -4.461 1.00 0.00 N ATOM 1053 CA VAL A 66 9.231 -4.178 -4.153 1.00 0.00 C ATOM 1054 C VAL A 66 8.520 -3.373 -5.241 1.00 0.00 C ATOM 1055 O VAL A 66 8.794 -3.542 -6.429 1.00 0.00 O ATOM 1056 CB VAL A 66 10.670 -3.673 -3.972 1.00 0.00 C ATOM 1057 CG1 VAL A 66 11.606 -4.461 -4.869 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.772 -2.176 -4.239 1.00 0.00 C ATOM 0 H VAL A 66 9.483 -5.817 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 66 8.675 -4.038 -3.226 1.00 0.00 H new ATOM 0 HB VAL A 66 10.967 -3.830 -2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.626 -4.100 -4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.559 -5.518 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.307 -4.333 -5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.804 -1.851 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.458 -1.967 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.127 -1.638 -3.544 1.00 0.00 H new ATOM 1068 N THR A 67 7.610 -2.495 -4.826 1.00 0.00 N ATOM 1069 CA THR A 67 6.866 -1.661 -5.764 1.00 0.00 C ATOM 1070 C THR A 67 6.745 -0.222 -5.246 1.00 0.00 C ATOM 1071 O THR A 67 6.310 0.007 -4.117 1.00 0.00 O ATOM 1072 CB THR A 67 5.469 -2.272 -6.049 1.00 0.00 C ATOM 1073 OG1 THR A 67 5.395 -2.689 -7.418 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.338 -1.294 -5.760 1.00 0.00 C ATOM 0 H THR A 67 7.371 -2.343 -3.846 1.00 0.00 H new ATOM 0 HA THR A 67 7.419 -1.629 -6.703 1.00 0.00 H new ATOM 0 HB THR A 67 5.347 -3.126 -5.382 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.512 -3.076 -7.595 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.381 -1.770 -5.976 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.369 -1.001 -4.711 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.453 -0.410 -6.387 1.00 0.00 H new ATOM 1082 N ARG A 68 7.153 0.743 -6.073 1.00 0.00 N ATOM 1083 CA ARG A 68 7.102 2.156 -5.693 1.00 0.00 C ATOM 1084 C ARG A 68 6.078 2.927 -6.530 1.00 0.00 C ATOM 1085 O ARG A 68 6.155 2.938 -7.759 1.00 0.00 O ATOM 1086 CB ARG A 68 8.486 2.794 -5.849 1.00 0.00 C ATOM 1087 CG ARG A 68 9.637 1.822 -5.637 1.00 0.00 C ATOM 1088 CD ARG A 68 10.874 2.244 -6.415 1.00 0.00 C ATOM 1089 NE ARG A 68 11.633 1.095 -6.900 1.00 0.00 N ATOM 1090 CZ ARG A 68 11.244 0.327 -7.913 1.00 0.00 C ATOM 1091 NH1 ARG A 68 10.109 0.585 -8.549 1.00 0.00 N ATOM 1092 NH2 ARG A 68 11.993 -0.698 -8.295 1.00 0.00 N ATOM 0 H ARG A 68 7.522 0.572 -7.009 1.00 0.00 H new ATOM 0 HA ARG A 68 6.792 2.208 -4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.566 3.226 -6.847 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.580 3.615 -5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.876 1.765 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.333 0.823 -5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.577 2.865 -7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.512 2.857 -5.778 1.00 0.00 H new ATOM 0 HE ARG A 68 12.512 0.869 -6.435 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.531 1.375 -8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.814 -0.006 -9.326 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.869 -0.898 -7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.694 -1.287 -9.072 1.00 0.00 H new ATOM 1106 N PHE A 69 5.125 3.577 -5.855 1.00 0.00 N ATOM 1107 CA PHE A 69 4.086 4.357 -6.534 1.00 0.00 C ATOM 1108 C PHE A 69 3.517 5.442 -5.623 1.00 0.00 C ATOM 1109 O PHE A 69 3.068 5.155 -4.515 1.00 0.00 O ATOM 1110 CB PHE A 69 2.945 3.443 -6.990 1.00 0.00 C ATOM 1111 CG PHE A 69 3.279 2.585 -8.174 1.00 0.00 C ATOM 1112 CD1 PHE A 69 3.521 3.153 -9.415 1.00 0.00 C ATOM 1113 CD2 PHE A 69 3.351 1.208 -8.046 1.00 0.00 C ATOM 1114 CE1 PHE A 69 3.828 2.362 -10.507 1.00 0.00 C ATOM 1115 CE2 PHE A 69 3.658 0.411 -9.132 1.00 0.00 C ATOM 1116 CZ PHE A 69 3.897 0.989 -10.364 1.00 0.00 C ATOM 0 H PHE A 69 5.052 3.578 -4.838 1.00 0.00 H new ATOM 0 HA PHE A 69 4.550 4.832 -7.399 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.656 2.799 -6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.078 4.057 -7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.469 4.226 -9.530 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.165 0.751 -7.085 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.013 2.816 -11.469 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.711 -0.662 -9.018 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.138 0.368 -11.215 1.00 0.00 H new ATOM 1126 N ASP A 70 3.517 6.686 -6.104 1.00 0.00 N ATOM 1127 CA ASP A 70 2.983 7.801 -5.337 1.00 0.00 C ATOM 1128 C ASP A 70 1.520 8.032 -5.698 1.00 0.00 C ATOM 1129 O ASP A 70 1.139 7.944 -6.865 1.00 0.00 O ATOM 1130 CB ASP A 70 3.792 9.069 -5.614 1.00 0.00 C ATOM 1131 CG ASP A 70 4.683 8.935 -6.833 1.00 0.00 C ATOM 1132 OD1 ASP A 70 4.168 9.070 -7.963 1.00 0.00 O ATOM 1133 OD2 ASP A 70 5.896 8.693 -6.659 1.00 0.00 O ATOM 0 H ASP A 70 3.882 6.942 -7.022 1.00 0.00 H new ATOM 0 HA ASP A 70 3.054 7.561 -4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.110 9.907 -5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.405 9.302 -4.744 1.00 0.00 H new ATOM 1138 N PHE A 71 0.701 8.312 -4.688 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.722 8.533 -4.910 1.00 0.00 C ATOM 1140 C PHE A 71 -1.287 9.579 -3.970 1.00 0.00 C ATOM 1141 O PHE A 71 -0.738 9.845 -2.902 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.501 7.235 -4.707 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.624 6.827 -3.262 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -2.627 7.357 -2.455 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -0.735 5.916 -2.708 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -2.735 6.984 -1.130 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -0.843 5.540 -1.382 1.00 0.00 C ATOM 1148 CZ PHE A 71 -1.845 6.074 -0.593 1.00 0.00 C ATOM 0 H PHE A 71 0.997 8.391 -3.715 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.828 8.886 -5.936 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.499 7.350 -5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.010 6.435 -5.261 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.327 8.067 -2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.050 5.496 -3.320 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.516 7.404 -0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.145 4.830 -0.963 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.932 5.780 0.443 1.00 0.00 H new ATOM 1158 N THR A 72 -2.418 10.135 -4.368 1.00 0.00 N ATOM 1159 CA THR A 72 -3.109 11.117 -3.565 1.00 0.00 C ATOM 1160 C THR A 72 -4.616 11.038 -3.811 1.00 0.00 C ATOM 1161 O THR A 72 -5.067 11.041 -4.955 1.00 0.00 O ATOM 1162 CB THR A 72 -2.607 12.540 -3.880 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.680 13.480 -3.777 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.002 12.604 -5.275 1.00 0.00 C ATOM 0 H THR A 72 -2.877 9.917 -5.252 1.00 0.00 H new ATOM 0 HA THR A 72 -2.902 10.899 -2.517 1.00 0.00 H new ATOM 0 HB THR A 72 -1.836 12.794 -3.152 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.446 14.174 -3.126 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.655 13.618 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.161 11.913 -5.339 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.756 12.327 -6.012 1.00 0.00 H new