USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 LYS NZ :NH3+ -156:sc= 0.839 (180deg=-0.0438) USER MOD Set 1.2: A 38 SER OG : rot 73:sc= 1.14 USER MOD Set 2.1: A 32 GLN : amide:sc= 1.86 K(o=3.1,f=-5.8) USER MOD Set 2.2: A 35 LYS NZ :NH3+ -161:sc= 1.29 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -1.04 K(o=-1,f=-2.1) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 101:sc= 1.38 USER MOD Single : A 39 SER OG : rot 68:sc= 2.12 USER MOD Single : A 42 SER OG : rot 43:sc= 0.692 USER MOD Single : A 43 SER OG : rot 113:sc= 0.0872 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 47 GLN : amide:sc= -0.0324 X(o=-0.032,f=-0.44) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 0.293 (180deg=0.103) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= 2.02 (180deg=0.0541!) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 6.115 11.173 6.043 1.00 0.00 N ATOM 118 CA ARG A 9 7.266 11.054 5.158 1.00 0.00 C ATOM 119 C ARG A 9 7.455 9.613 4.703 1.00 0.00 C ATOM 120 O ARG A 9 7.812 9.362 3.559 1.00 0.00 O ATOM 121 CB ARG A 9 8.532 11.576 5.841 1.00 0.00 C ATOM 122 CG ARG A 9 8.551 13.088 6.005 1.00 0.00 C ATOM 123 CD ARG A 9 9.761 13.551 6.798 1.00 0.00 C ATOM 124 NE ARG A 9 9.851 15.014 6.844 1.00 0.00 N ATOM 125 CZ ARG A 9 9.531 15.763 7.905 1.00 0.00 C ATOM 126 NH1 ARG A 9 9.109 15.193 9.030 1.00 0.00 N ATOM 127 NH2 ARG A 9 9.633 17.083 7.834 1.00 0.00 N ATOM 0 HA ARG A 9 7.078 11.666 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.625 11.110 6.822 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.402 11.270 5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.557 13.561 5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.640 13.411 6.509 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.703 13.158 7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.667 13.144 6.350 1.00 0.00 H new ATOM 0 HE ARG A 9 10.181 15.495 6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.028 14.178 9.088 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.867 15.771 9.835 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.955 17.524 6.972 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.390 17.657 8.641 1.00 0.00 H new ATOM 141 N GLN A 10 7.185 8.677 5.606 1.00 0.00 N ATOM 142 CA GLN A 10 7.293 7.251 5.310 1.00 0.00 C ATOM 143 C GLN A 10 6.316 6.871 4.211 1.00 0.00 C ATOM 144 O GLN A 10 6.660 6.156 3.287 1.00 0.00 O ATOM 145 CB GLN A 10 7.008 6.426 6.583 1.00 0.00 C ATOM 146 CG GLN A 10 7.249 4.915 6.455 1.00 0.00 C ATOM 147 CD GLN A 10 6.159 4.169 5.692 1.00 0.00 C ATOM 148 OE1 GLN A 10 4.989 4.552 5.716 1.00 0.00 O ATOM 149 NE2 GLN A 10 6.539 3.094 5.023 1.00 0.00 N ATOM 0 H GLN A 10 6.886 8.882 6.559 1.00 0.00 H new ATOM 0 HA GLN A 10 8.306 7.036 4.969 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.631 6.809 7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.971 6.588 6.876 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.203 4.752 5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.336 4.487 7.454 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.519 2.810 5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.853 2.549 4.502 1.00 0.00 H new ATOM 158 N VAL A 11 5.105 7.376 4.323 1.00 0.00 N ATOM 159 CA VAL A 11 4.048 7.069 3.379 1.00 0.00 C ATOM 160 C VAL A 11 4.383 7.592 1.984 1.00 0.00 C ATOM 161 O VAL A 11 4.220 6.887 0.992 1.00 0.00 O ATOM 162 CB VAL A 11 2.705 7.664 3.858 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.595 7.409 2.853 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.335 7.095 5.221 1.00 0.00 C ATOM 0 H VAL A 11 4.825 8.011 5.071 1.00 0.00 H new ATOM 0 HA VAL A 11 3.957 5.984 3.324 1.00 0.00 H new ATOM 0 HB VAL A 11 2.827 8.744 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.664 7.841 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.855 7.868 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.468 6.335 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.387 7.522 5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.240 6.012 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.113 7.344 5.943 1.00 0.00 H new ATOM 174 N CYS A 12 4.873 8.812 1.921 1.00 0.00 N ATOM 175 CA CYS A 12 5.209 9.432 0.646 1.00 0.00 C ATOM 176 C CYS A 12 6.474 8.795 0.046 1.00 0.00 C ATOM 177 O CYS A 12 6.488 8.380 -1.128 1.00 0.00 O ATOM 178 CB CYS A 12 5.400 10.938 0.832 1.00 0.00 C ATOM 179 SG CYS A 12 5.353 11.904 -0.711 1.00 0.00 S ATOM 0 H CYS A 12 5.050 9.399 2.736 1.00 0.00 H new ATOM 0 HA CYS A 12 4.387 9.266 -0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.624 11.309 1.502 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.357 11.112 1.325 1.00 0.00 H new ATOM 184 N TRP A 13 7.525 8.697 0.860 1.00 0.00 N ATOM 185 CA TRP A 13 8.784 8.105 0.427 1.00 0.00 C ATOM 186 C TRP A 13 8.577 6.639 0.071 1.00 0.00 C ATOM 187 O TRP A 13 9.080 6.157 -0.947 1.00 0.00 O ATOM 188 CB TRP A 13 9.845 8.243 1.535 1.00 0.00 C ATOM 189 CG TRP A 13 11.154 7.584 1.215 1.00 0.00 C ATOM 190 CD1 TRP A 13 12.201 8.127 0.530 1.00 0.00 C ATOM 191 CD2 TRP A 13 11.555 6.255 1.576 1.00 0.00 C ATOM 192 NE1 TRP A 13 13.223 7.216 0.437 1.00 0.00 N ATOM 193 CE2 TRP A 13 12.852 6.059 1.071 1.00 0.00 C ATOM 194 CE3 TRP A 13 10.939 5.212 2.275 1.00 0.00 C ATOM 195 CZ2 TRP A 13 13.545 4.866 1.243 1.00 0.00 C ATOM 196 CZ3 TRP A 13 11.629 4.028 2.446 1.00 0.00 C ATOM 197 CH2 TRP A 13 12.918 3.863 1.932 1.00 0.00 C ATOM 0 H TRP A 13 7.526 9.023 1.827 1.00 0.00 H new ATOM 0 HA TRP A 13 9.136 8.633 -0.459 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.020 9.302 1.725 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.450 7.815 2.456 1.00 0.00 H new ATOM 0 HD1 TRP A 13 12.223 9.126 0.121 1.00 0.00 H new ATOM 0 HE1 TRP A 13 14.116 7.375 -0.029 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.942 5.330 2.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 14.541 4.735 0.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 11.165 3.216 2.986 1.00 0.00 H new ATOM 0 HH2 TRP A 13 13.430 2.924 2.082 1.00 0.00 H new ATOM 208 N GLY A 14 7.819 5.946 0.912 1.00 0.00 N ATOM 209 CA GLY A 14 7.531 4.547 0.698 1.00 0.00 C ATOM 210 C GLY A 14 6.734 4.320 -0.558 1.00 0.00 C ATOM 211 O GLY A 14 6.930 3.339 -1.235 1.00 0.00 O ATOM 0 H GLY A 14 7.394 6.340 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.466 3.989 0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.979 4.156 1.553 1.00 0.00 H new ATOM 215 N ALA A 15 5.840 5.245 -0.867 1.00 0.00 N ATOM 216 CA ALA A 15 5.037 5.169 -2.077 1.00 0.00 C ATOM 217 C ALA A 15 5.932 5.138 -3.300 1.00 0.00 C ATOM 218 O ALA A 15 5.748 4.331 -4.213 1.00 0.00 O ATOM 219 CB ALA A 15 4.107 6.364 -2.158 1.00 0.00 C ATOM 0 H ALA A 15 5.651 6.065 -0.290 1.00 0.00 H new ATOM 0 HA ALA A 15 4.446 4.254 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.509 6.299 -3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.448 6.371 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.695 7.282 -2.175 1.00 0.00 H new ATOM 225 N ARG A 16 6.912 6.017 -3.299 1.00 0.00 N ATOM 226 CA ARG A 16 7.848 6.109 -4.400 1.00 0.00 C ATOM 227 C ARG A 16 8.810 4.930 -4.388 1.00 0.00 C ATOM 228 O ARG A 16 9.179 4.407 -5.440 1.00 0.00 O ATOM 229 CB ARG A 16 8.614 7.428 -4.341 1.00 0.00 C ATOM 230 CG ARG A 16 9.646 7.591 -5.449 1.00 0.00 C ATOM 231 CD ARG A 16 10.247 8.981 -5.440 1.00 0.00 C ATOM 232 NE ARG A 16 9.239 10.007 -5.705 1.00 0.00 N ATOM 233 CZ ARG A 16 9.512 11.289 -5.937 1.00 0.00 C ATOM 234 NH1 ARG A 16 10.764 11.722 -5.908 1.00 0.00 N ATOM 235 NH2 ARG A 16 8.528 12.136 -6.188 1.00 0.00 N ATOM 0 H ARG A 16 7.082 6.681 -2.544 1.00 0.00 H new ATOM 0 HA ARG A 16 7.284 6.079 -5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.903 8.253 -4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.116 7.503 -3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.436 6.850 -5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.179 7.401 -6.415 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.713 9.170 -4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.035 9.042 -6.191 1.00 0.00 H new ATOM 0 HE ARG A 16 8.260 9.721 -5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.524 11.072 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.968 12.705 -6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.563 11.806 -6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.734 13.119 -6.366 1.00 0.00 H new ATOM 249 N ASP A 17 9.198 4.502 -3.201 1.00 0.00 N ATOM 250 CA ASP A 17 10.109 3.376 -3.059 1.00 0.00 C ATOM 251 C ASP A 17 9.418 2.093 -3.499 1.00 0.00 C ATOM 252 O ASP A 17 10.022 1.235 -4.152 1.00 0.00 O ATOM 253 CB ASP A 17 10.590 3.252 -1.611 1.00 0.00 C ATOM 254 CG ASP A 17 11.860 2.439 -1.492 1.00 0.00 C ATOM 255 OD1 ASP A 17 11.780 1.214 -1.280 1.00 0.00 O ATOM 256 OD2 ASP A 17 12.957 3.026 -1.623 1.00 0.00 O ATOM 0 H ASP A 17 8.897 4.916 -2.319 1.00 0.00 H new ATOM 0 HA ASP A 17 10.978 3.546 -3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.760 4.248 -1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.808 2.789 -1.010 1.00 0.00 H new ATOM 261 N GLU A 18 8.135 1.990 -3.161 1.00 0.00 N ATOM 262 CA GLU A 18 7.311 0.848 -3.525 1.00 0.00 C ATOM 263 C GLU A 18 6.961 0.861 -5.000 1.00 0.00 C ATOM 264 O GLU A 18 6.615 -0.169 -5.576 1.00 0.00 O ATOM 265 CB GLU A 18 6.043 0.786 -2.674 1.00 0.00 C ATOM 266 CG GLU A 18 6.263 0.169 -1.303 1.00 0.00 C ATOM 267 CD GLU A 18 4.979 -0.318 -0.670 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.469 -1.378 -1.097 1.00 0.00 O ATOM 269 OE2 GLU A 18 4.485 0.340 0.266 1.00 0.00 O ATOM 0 H GLU A 18 7.639 2.701 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 18 7.899 -0.048 -3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.648 1.794 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.286 0.210 -3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.959 -0.665 -1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.730 0.905 -0.648 1.00 0.00 H new ATOM 276 N TYR A 19 7.030 2.028 -5.609 1.00 0.00 N ATOM 277 CA TYR A 19 6.817 2.138 -7.035 1.00 0.00 C ATOM 278 C TYR A 19 7.896 1.322 -7.746 1.00 0.00 C ATOM 279 O TYR A 19 7.642 0.652 -8.759 1.00 0.00 O ATOM 280 CB TYR A 19 6.874 3.605 -7.462 1.00 0.00 C ATOM 281 CG TYR A 19 6.441 3.857 -8.884 1.00 0.00 C ATOM 282 CD1 TYR A 19 5.117 3.696 -9.260 1.00 0.00 C ATOM 283 CD2 TYR A 19 7.351 4.271 -9.845 1.00 0.00 C ATOM 284 CE1 TYR A 19 4.709 3.939 -10.553 1.00 0.00 C ATOM 285 CE2 TYR A 19 6.951 4.514 -11.143 1.00 0.00 C ATOM 286 CZ TYR A 19 5.629 4.347 -11.491 1.00 0.00 C ATOM 287 OH TYR A 19 5.223 4.599 -12.787 1.00 0.00 O ATOM 0 H TYR A 19 7.231 2.910 -5.139 1.00 0.00 H new ATOM 0 HA TYR A 19 5.833 1.752 -7.302 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.242 4.190 -6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.894 3.968 -7.336 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.392 3.374 -8.527 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.388 4.405 -9.574 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.673 3.810 -10.829 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.671 4.833 -11.882 1.00 0.00 H new ATOM 0 HH TYR A 19 5.994 4.879 -13.323 1.00 0.00 H new ATOM 297 N TRP A 20 9.099 1.372 -7.186 1.00 0.00 N ATOM 298 CA TRP A 20 10.218 0.596 -7.679 1.00 0.00 C ATOM 299 C TRP A 20 10.139 -0.832 -7.136 1.00 0.00 C ATOM 300 O TRP A 20 10.138 -1.800 -7.896 1.00 0.00 O ATOM 301 CB TRP A 20 11.543 1.254 -7.270 1.00 0.00 C ATOM 302 CG TRP A 20 12.756 0.531 -7.774 1.00 0.00 C ATOM 303 CD1 TRP A 20 13.616 -0.238 -7.046 1.00 0.00 C ATOM 304 CD2 TRP A 20 13.239 0.505 -9.122 1.00 0.00 C ATOM 305 NE1 TRP A 20 14.604 -0.734 -7.855 1.00 0.00 N ATOM 306 CE2 TRP A 20 14.396 -0.294 -9.134 1.00 0.00 C ATOM 307 CE3 TRP A 20 12.806 1.081 -10.318 1.00 0.00 C ATOM 308 CZ2 TRP A 20 15.125 -0.531 -10.294 1.00 0.00 C ATOM 309 CZ3 TRP A 20 13.530 0.844 -11.469 1.00 0.00 C ATOM 310 CH2 TRP A 20 14.678 0.045 -11.451 1.00 0.00 C ATOM 0 H TRP A 20 9.321 1.953 -6.378 1.00 0.00 H new ATOM 0 HA TRP A 20 10.174 0.561 -8.768 1.00 0.00 H new ATOM 0 HB2 TRP A 20 11.560 2.278 -7.643 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.590 1.310 -6.182 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.530 -0.428 -5.986 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.371 -1.335 -7.553 1.00 0.00 H new ATOM 0 HE3 TRP A 20 11.921 1.700 -10.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.012 -1.147 -10.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.204 1.283 -12.400 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.222 -0.120 -12.369 1.00 0.00 H new ATOM 321 N LYS A 21 10.056 -0.945 -5.813 1.00 0.00 N ATOM 322 CA LYS A 21 9.963 -2.233 -5.131 1.00 0.00 C ATOM 323 C LYS A 21 8.682 -2.287 -4.310 1.00 0.00 C ATOM 324 O LYS A 21 8.635 -1.792 -3.186 1.00 0.00 O ATOM 325 CB LYS A 21 11.183 -2.447 -4.218 1.00 0.00 C ATOM 326 CG LYS A 21 11.153 -3.751 -3.420 1.00 0.00 C ATOM 327 CD LYS A 21 11.232 -4.971 -4.322 1.00 0.00 C ATOM 328 CE LYS A 21 12.597 -5.094 -4.979 1.00 0.00 C ATOM 329 NZ LYS A 21 12.658 -6.251 -5.899 1.00 0.00 N ATOM 0 H LYS A 21 10.051 -0.144 -5.182 1.00 0.00 H new ATOM 0 HA LYS A 21 9.946 -3.027 -5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.086 -2.429 -4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.252 -1.611 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.986 -3.765 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.237 -3.794 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.026 -5.869 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.462 -4.906 -5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.820 -4.180 -5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.363 -5.199 -4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.604 -6.303 -6.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.469 -7.126 -5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.944 -6.138 -6.647 1.00 0.00 H new ATOM 343 N CYS A 22 7.650 -2.872 -4.874 1.00 0.00 N ATOM 344 CA CYS A 22 6.356 -2.923 -4.215 1.00 0.00 C ATOM 345 C CYS A 22 6.344 -3.955 -3.091 1.00 0.00 C ATOM 346 O CYS A 22 7.000 -4.999 -3.182 1.00 0.00 O ATOM 347 CB CYS A 22 5.255 -3.229 -5.234 1.00 0.00 C ATOM 348 SG CYS A 22 5.424 -4.865 -6.040 1.00 0.00 S ATOM 0 H CYS A 22 7.677 -3.321 -5.789 1.00 0.00 H new ATOM 0 HA CYS A 22 6.166 -1.946 -3.771 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.287 -3.179 -4.735 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.258 -2.455 -6.001 1.00 0.00 H new ATOM 353 N LEU A 23 5.603 -3.637 -2.027 1.00 0.00 N ATOM 354 CA LEU A 23 5.442 -4.512 -0.869 1.00 0.00 C ATOM 355 C LEU A 23 6.759 -4.726 -0.138 1.00 0.00 C ATOM 356 O LEU A 23 6.977 -5.773 0.473 1.00 0.00 O ATOM 357 CB LEU A 23 4.821 -5.858 -1.265 1.00 0.00 C ATOM 358 CG LEU A 23 3.647 -6.328 -0.394 1.00 0.00 C ATOM 359 CD1 LEU A 23 4.067 -6.451 1.055 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.462 -5.383 -0.528 1.00 0.00 C ATOM 0 H LEU A 23 5.094 -2.757 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 23 4.757 -4.010 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.480 -5.791 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.600 -6.620 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 23 3.340 -7.313 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.219 -6.785 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.878 -7.175 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.407 -5.481 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.642 -5.736 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.756 -4.383 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.137 -5.352 -1.568 1.00 0.00 H new ATOM 372 N ASP A 24 7.611 -3.713 -0.162 1.00 0.00 N ATOM 373 CA ASP A 24 8.904 -3.753 0.540 1.00 0.00 C ATOM 374 C ASP A 24 8.686 -3.890 2.057 1.00 0.00 C ATOM 375 O ASP A 24 9.602 -4.225 2.814 1.00 0.00 O ATOM 376 CB ASP A 24 9.708 -2.487 0.228 1.00 0.00 C ATOM 377 CG ASP A 24 11.080 -2.488 0.863 1.00 0.00 C ATOM 378 OD1 ASP A 24 11.960 -3.243 0.394 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.302 -1.716 1.822 1.00 0.00 O ATOM 0 H ASP A 24 7.437 -2.841 -0.662 1.00 0.00 H new ATOM 0 HA ASP A 24 9.466 -4.620 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.814 -2.387 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.153 -1.616 0.576 1.00 0.00 H new ATOM 384 N GLU A 25 7.461 -3.617 2.472 1.00 0.00 N ATOM 385 CA GLU A 25 7.045 -3.676 3.868 1.00 0.00 C ATOM 386 C GLU A 25 7.305 -5.062 4.495 1.00 0.00 C ATOM 387 O GLU A 25 8.056 -5.183 5.459 1.00 0.00 O ATOM 388 CB GLU A 25 5.552 -3.373 3.953 1.00 0.00 C ATOM 389 CG GLU A 25 5.114 -2.170 3.130 1.00 0.00 C ATOM 390 CD GLU A 25 5.793 -0.889 3.552 1.00 0.00 C ATOM 391 OE1 GLU A 25 6.935 -0.643 3.122 1.00 0.00 O ATOM 392 OE2 GLU A 25 5.174 -0.109 4.298 1.00 0.00 O ATOM 0 H GLU A 25 6.711 -3.342 1.838 1.00 0.00 H new ATOM 0 HA GLU A 25 7.630 -2.941 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.995 -4.249 3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.286 -3.202 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.328 -2.359 2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.034 -2.049 3.219 1.00 0.00 H new ATOM 399 N ASN A 26 6.681 -6.105 3.928 1.00 0.00 N ATOM 400 CA ASN A 26 6.802 -7.472 4.481 1.00 0.00 C ATOM 401 C ASN A 26 7.118 -8.503 3.404 1.00 0.00 C ATOM 402 O ASN A 26 7.684 -9.554 3.693 1.00 0.00 O ATOM 403 CB ASN A 26 5.510 -7.876 5.205 1.00 0.00 C ATOM 404 CG ASN A 26 5.206 -6.994 6.395 1.00 0.00 C ATOM 405 OD1 ASN A 26 5.654 -7.259 7.506 1.00 0.00 O ATOM 406 ND2 ASN A 26 4.437 -5.945 6.167 1.00 0.00 N ATOM 0 H ASN A 26 6.093 -6.036 3.097 1.00 0.00 H new ATOM 0 HA ASN A 26 7.632 -7.454 5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.677 -7.832 4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.593 -8.911 5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.193 -5.316 6.932 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.087 -5.764 5.226 1.00 0.00 H new ATOM 413 N LEU A 27 6.741 -8.195 2.168 1.00 0.00 N ATOM 414 CA LEU A 27 6.972 -9.077 1.006 1.00 0.00 C ATOM 415 C LEU A 27 6.306 -10.461 1.141 1.00 0.00 C ATOM 416 O LEU A 27 6.645 -11.375 0.394 1.00 0.00 O ATOM 417 CB LEU A 27 8.482 -9.267 0.722 1.00 0.00 C ATOM 418 CG LEU A 27 9.280 -8.014 0.337 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.628 -7.191 1.565 1.00 0.00 C ATOM 420 CD2 LEU A 27 10.539 -8.398 -0.424 1.00 0.00 C ATOM 0 H LEU A 27 6.264 -7.325 1.932 1.00 0.00 H new ATOM 0 HA LEU A 27 6.502 -8.563 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.942 -9.702 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.587 -9.996 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 27 8.655 -7.401 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.193 -6.309 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.711 -6.881 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.229 -7.792 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.093 -7.497 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.162 -9.036 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.266 -8.936 -1.332 1.00 0.00 H new ATOM 432 N GLU A 28 5.358 -10.625 2.070 1.00 0.00 N ATOM 433 CA GLU A 28 4.713 -11.930 2.219 1.00 0.00 C ATOM 434 C GLU A 28 3.663 -12.160 1.134 1.00 0.00 C ATOM 435 O GLU A 28 3.569 -13.248 0.576 1.00 0.00 O ATOM 436 CB GLU A 28 4.120 -12.151 3.620 1.00 0.00 C ATOM 437 CG GLU A 28 2.878 -11.344 3.913 1.00 0.00 C ATOM 438 CD GLU A 28 2.006 -11.991 4.967 1.00 0.00 C ATOM 439 OE1 GLU A 28 1.777 -11.372 6.020 1.00 0.00 O ATOM 440 OE2 GLU A 28 1.535 -13.124 4.738 1.00 0.00 O ATOM 0 H GLU A 28 5.031 -9.899 2.708 1.00 0.00 H new ATOM 0 HA GLU A 28 5.500 -12.674 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.886 -13.209 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.879 -11.908 4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.166 -10.347 4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.303 -11.221 2.995 1.00 0.00 H new ATOM 447 N ASP A 29 2.881 -11.132 0.830 1.00 0.00 N ATOM 448 CA ASP A 29 1.891 -11.239 -0.228 1.00 0.00 C ATOM 449 C ASP A 29 2.036 -10.087 -1.192 1.00 0.00 C ATOM 450 O ASP A 29 1.290 -9.105 -1.148 1.00 0.00 O ATOM 451 CB ASP A 29 0.459 -11.317 0.315 1.00 0.00 C ATOM 452 CG ASP A 29 -0.516 -11.817 -0.741 1.00 0.00 C ATOM 453 OD1 ASP A 29 -1.662 -11.337 -0.790 1.00 0.00 O ATOM 454 OD2 ASP A 29 -0.132 -12.706 -1.531 1.00 0.00 O ATOM 0 H ASP A 29 2.913 -10.225 1.296 1.00 0.00 H new ATOM 0 HA ASP A 29 2.077 -12.174 -0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.433 -11.982 1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.147 -10.332 0.661 1.00 0.00 H new ATOM 459 N ALA A 30 3.032 -10.198 -2.039 1.00 0.00 N ATOM 460 CA ALA A 30 3.329 -9.190 -3.041 1.00 0.00 C ATOM 461 C ALA A 30 2.248 -9.161 -4.103 1.00 0.00 C ATOM 462 O ALA A 30 2.194 -8.257 -4.926 1.00 0.00 O ATOM 463 CB ALA A 30 4.693 -9.443 -3.667 1.00 0.00 C ATOM 0 H ALA A 30 3.667 -10.996 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 30 3.354 -8.216 -2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.898 -8.677 -4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.460 -9.409 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.699 -10.424 -4.141 1.00 0.00 H new ATOM 469 N SER A 31 1.400 -10.170 -4.075 1.00 0.00 N ATOM 470 CA SER A 31 0.291 -10.298 -4.993 1.00 0.00 C ATOM 471 C SER A 31 -0.559 -9.014 -5.022 1.00 0.00 C ATOM 472 O SER A 31 -1.074 -8.620 -6.070 1.00 0.00 O ATOM 473 CB SER A 31 -0.571 -11.472 -4.546 1.00 0.00 C ATOM 474 OG SER A 31 0.237 -12.583 -4.179 1.00 0.00 O ATOM 0 H SER A 31 1.465 -10.934 -3.403 1.00 0.00 H new ATOM 0 HA SER A 31 0.678 -10.466 -5.998 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.190 -11.173 -3.701 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.247 -11.759 -5.351 1.00 0.00 H new ATOM 0 HG SER A 31 0.308 -12.627 -3.203 1.00 0.00 H new ATOM 480 N GLN A 32 -0.683 -8.363 -3.867 1.00 0.00 N ATOM 481 CA GLN A 32 -1.497 -7.155 -3.751 1.00 0.00 C ATOM 482 C GLN A 32 -0.643 -5.891 -3.876 1.00 0.00 C ATOM 483 O GLN A 32 -1.165 -4.780 -3.793 1.00 0.00 O ATOM 484 CB GLN A 32 -2.219 -7.121 -2.391 1.00 0.00 C ATOM 485 CG GLN A 32 -2.677 -8.477 -1.870 1.00 0.00 C ATOM 486 CD GLN A 32 -3.575 -9.222 -2.833 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.309 -8.624 -3.616 1.00 0.00 O ATOM 488 NE2 GLN A 32 -3.516 -10.535 -2.779 1.00 0.00 N ATOM 0 H GLN A 32 -0.231 -8.651 -2.999 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.224 -7.179 -4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.553 -6.672 -1.654 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.088 -6.468 -2.474 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.801 -9.089 -1.655 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.206 -8.335 -0.928 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.892 -10.991 -2.113 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.094 -11.098 -3.403 1.00 0.00 H new ATOM 497 N CYS A 33 0.658 -6.060 -4.096 1.00 0.00 N ATOM 498 CA CYS A 33 1.585 -4.925 -4.082 1.00 0.00 C ATOM 499 C CYS A 33 1.280 -3.908 -5.156 1.00 0.00 C ATOM 500 O CYS A 33 1.403 -2.719 -4.914 1.00 0.00 O ATOM 501 CB CYS A 33 3.034 -5.377 -4.207 1.00 0.00 C ATOM 502 SG CYS A 33 3.579 -5.713 -5.916 1.00 0.00 S ATOM 0 H CYS A 33 1.094 -6.962 -4.285 1.00 0.00 H new ATOM 0 HA CYS A 33 1.444 -4.445 -3.114 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.679 -4.610 -3.778 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.172 -6.279 -3.611 1.00 0.00 H new ATOM 507 N LYS A 34 0.885 -4.367 -6.340 1.00 0.00 N ATOM 508 CA LYS A 34 0.599 -3.459 -7.437 1.00 0.00 C ATOM 509 C LYS A 34 -0.491 -2.493 -7.009 1.00 0.00 C ATOM 510 O LYS A 34 -0.321 -1.283 -7.077 1.00 0.00 O ATOM 511 CB LYS A 34 0.165 -4.245 -8.691 1.00 0.00 C ATOM 512 CG LYS A 34 0.432 -3.538 -10.031 1.00 0.00 C ATOM 513 CD LYS A 34 -0.315 -2.215 -10.164 1.00 0.00 C ATOM 514 CE LYS A 34 -1.826 -2.394 -10.057 1.00 0.00 C ATOM 515 NZ LYS A 34 -2.538 -1.098 -10.173 1.00 0.00 N ATOM 0 H LYS A 34 0.758 -5.355 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 34 1.500 -2.899 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.681 -5.205 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.902 -4.457 -8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.502 -3.357 -10.134 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.141 -4.198 -10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.024 -1.529 -9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.072 -1.757 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.169 -3.070 -10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.071 -2.861 -9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.466 -1.169 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.978 -0.352 -9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.670 -0.863 -11.177 1.00 0.00 H new ATOM 529 N LYS A 35 -1.594 -3.044 -6.535 1.00 0.00 N ATOM 530 CA LYS A 35 -2.723 -2.246 -6.085 1.00 0.00 C ATOM 531 C LYS A 35 -2.335 -1.349 -4.917 1.00 0.00 C ATOM 532 O LYS A 35 -2.696 -0.168 -4.881 1.00 0.00 O ATOM 533 CB LYS A 35 -3.879 -3.156 -5.691 1.00 0.00 C ATOM 534 CG LYS A 35 -4.438 -3.963 -6.847 1.00 0.00 C ATOM 535 CD LYS A 35 -5.486 -4.960 -6.384 1.00 0.00 C ATOM 536 CE LYS A 35 -4.869 -6.085 -5.571 1.00 0.00 C ATOM 537 NZ LYS A 35 -5.870 -7.108 -5.196 1.00 0.00 N ATOM 0 H LYS A 35 -1.733 -4.051 -6.451 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.036 -1.605 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.543 -3.839 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.677 -2.550 -5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.877 -3.289 -7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.627 -4.493 -7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.237 -4.446 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.000 -5.376 -7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.070 -6.553 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.414 -5.674 -4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.510 -7.670 -4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.756 -6.641 -4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.048 -7.733 -6.008 1.00 0.00 H new ATOM 551 N LEU A 36 -1.597 -1.907 -3.970 1.00 0.00 N ATOM 552 CA LEU A 36 -1.172 -1.153 -2.792 1.00 0.00 C ATOM 553 C LEU A 36 -0.257 0.023 -3.166 1.00 0.00 C ATOM 554 O LEU A 36 -0.536 1.167 -2.800 1.00 0.00 O ATOM 555 CB LEU A 36 -0.507 -2.082 -1.756 1.00 0.00 C ATOM 556 CG LEU A 36 -1.416 -3.183 -1.197 1.00 0.00 C ATOM 557 CD1 LEU A 36 -0.762 -3.901 -0.030 1.00 0.00 C ATOM 558 CD2 LEU A 36 -2.744 -2.604 -0.787 1.00 0.00 C ATOM 0 H LEU A 36 -1.279 -2.876 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.064 -0.726 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.364 -2.549 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.144 -1.475 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.581 -3.917 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.433 -4.675 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.171 -4.357 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.554 -3.187 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.380 -3.396 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.589 -1.846 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.226 -2.150 -1.653 1.00 0.00 H new ATOM 570 N ARG A 37 0.806 -0.239 -3.932 1.00 0.00 N ATOM 571 CA ARG A 37 1.713 0.840 -4.325 1.00 0.00 C ATOM 572 C ARG A 37 1.023 1.861 -5.237 1.00 0.00 C ATOM 573 O ARG A 37 1.363 3.040 -5.220 1.00 0.00 O ATOM 574 CB ARG A 37 3.031 0.311 -4.934 1.00 0.00 C ATOM 575 CG ARG A 37 2.904 -0.510 -6.213 1.00 0.00 C ATOM 576 CD ARG A 37 2.850 0.358 -7.461 1.00 0.00 C ATOM 577 NE ARG A 37 3.041 -0.445 -8.667 1.00 0.00 N ATOM 578 CZ ARG A 37 2.942 0.011 -9.912 1.00 0.00 C ATOM 579 NH1 ARG A 37 2.584 1.264 -10.149 1.00 0.00 N ATOM 580 NH2 ARG A 37 3.194 -0.801 -10.926 1.00 0.00 N ATOM 0 H ARG A 37 1.055 -1.163 -4.284 1.00 0.00 H new ATOM 0 HA ARG A 37 1.988 1.365 -3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.680 1.163 -5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.533 -0.300 -4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.749 -1.194 -6.287 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.003 -1.121 -6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.890 0.871 -7.510 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.620 1.127 -7.407 1.00 0.00 H new ATOM 0 HE ARG A 37 3.268 -1.432 -8.544 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.380 1.892 -9.371 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.512 1.601 -11.109 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.462 -1.769 -10.750 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.120 -0.459 -11.884 1.00 0.00 H new ATOM 594 N SER A 38 0.040 1.404 -6.019 1.00 0.00 N ATOM 595 CA SER A 38 -0.721 2.302 -6.888 1.00 0.00 C ATOM 596 C SER A 38 -1.578 3.266 -6.063 1.00 0.00 C ATOM 597 O SER A 38 -1.824 4.405 -6.470 1.00 0.00 O ATOM 598 CB SER A 38 -1.594 1.516 -7.868 1.00 0.00 C ATOM 599 OG SER A 38 -0.794 0.828 -8.821 1.00 0.00 O ATOM 0 H SER A 38 -0.245 0.426 -6.067 1.00 0.00 H new ATOM 0 HA SER A 38 -0.005 2.886 -7.466 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.210 0.802 -7.321 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.274 2.196 -8.381 1.00 0.00 H new ATOM 0 HG SER A 38 -0.357 0.063 -8.391 1.00 0.00 H new ATOM 605 N SER A 39 -2.023 2.807 -4.905 1.00 0.00 N ATOM 606 CA SER A 39 -2.814 3.638 -4.019 1.00 0.00 C ATOM 607 C SER A 39 -1.918 4.688 -3.358 1.00 0.00 C ATOM 608 O SER A 39 -2.325 5.829 -3.137 1.00 0.00 O ATOM 609 CB SER A 39 -3.494 2.767 -2.958 1.00 0.00 C ATOM 610 OG SER A 39 -4.256 1.725 -3.569 1.00 0.00 O ATOM 0 H SER A 39 -1.849 1.864 -4.559 1.00 0.00 H new ATOM 0 HA SER A 39 -3.585 4.149 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.741 2.335 -2.299 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.145 3.383 -2.337 1.00 0.00 H new ATOM 0 HG SER A 39 -3.650 1.086 -4.000 1.00 0.00 H new ATOM 616 N PHE A 40 -0.692 4.291 -3.071 1.00 0.00 N ATOM 617 CA PHE A 40 0.286 5.160 -2.454 1.00 0.00 C ATOM 618 C PHE A 40 0.843 6.205 -3.432 1.00 0.00 C ATOM 619 O PHE A 40 1.086 7.352 -3.061 1.00 0.00 O ATOM 620 CB PHE A 40 1.412 4.323 -1.863 1.00 0.00 C ATOM 621 CG PHE A 40 1.162 3.907 -0.447 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.145 3.021 -0.137 1.00 0.00 C ATOM 623 CD2 PHE A 40 1.938 4.414 0.580 1.00 0.00 C ATOM 624 CE1 PHE A 40 -0.094 2.653 1.168 1.00 0.00 C ATOM 625 CE2 PHE A 40 1.706 4.047 1.888 1.00 0.00 C ATOM 626 CZ PHE A 40 0.688 3.167 2.181 1.00 0.00 C ATOM 0 H PHE A 40 -0.347 3.350 -3.262 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.215 5.713 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.554 3.433 -2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.340 4.892 -1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.468 2.614 -0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.736 5.106 0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.892 1.963 1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.320 4.448 2.680 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.502 2.879 3.205 1.00 0.00 H new ATOM 636 N GLU A 41 1.011 5.817 -4.681 1.00 0.00 N ATOM 637 CA GLU A 41 1.586 6.709 -5.699 1.00 0.00 C ATOM 638 C GLU A 41 0.560 7.722 -6.168 1.00 0.00 C ATOM 639 O GLU A 41 0.863 8.609 -6.968 1.00 0.00 O ATOM 640 CB GLU A 41 2.083 5.908 -6.900 1.00 0.00 C ATOM 641 CG GLU A 41 0.960 5.294 -7.721 1.00 0.00 C ATOM 642 CD GLU A 41 1.450 4.460 -8.881 1.00 0.00 C ATOM 643 OE1 GLU A 41 1.626 3.236 -8.707 1.00 0.00 O ATOM 644 OE2 GLU A 41 1.643 5.022 -9.988 1.00 0.00 O ATOM 0 H GLU A 41 0.761 4.891 -5.027 1.00 0.00 H new ATOM 0 HA GLU A 41 2.426 7.233 -5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.678 6.559 -7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.744 5.115 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.343 4.673 -7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.320 6.091 -8.101 1.00 0.00 H new ATOM 651 N SER A 42 -0.649 7.583 -5.662 1.00 0.00 N ATOM 652 CA SER A 42 -1.754 8.415 -6.070 1.00 0.00 C ATOM 653 C SER A 42 -1.489 9.895 -5.786 1.00 0.00 C ATOM 654 O SER A 42 -1.882 10.762 -6.568 1.00 0.00 O ATOM 655 CB SER A 42 -3.030 7.944 -5.387 1.00 0.00 C ATOM 656 OG SER A 42 -3.436 6.676 -5.890 1.00 0.00 O ATOM 0 H SER A 42 -0.889 6.888 -4.955 1.00 0.00 H new ATOM 0 HA SER A 42 -1.873 8.320 -7.149 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.869 7.878 -4.311 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.824 8.674 -5.546 1.00 0.00 H new ATOM 0 HG SER A 42 -2.654 6.091 -5.973 1.00 0.00 H new ATOM 662 N SER A 43 -0.831 10.191 -4.670 1.00 0.00 N ATOM 663 CA SER A 43 -0.504 11.573 -4.348 1.00 0.00 C ATOM 664 C SER A 43 0.777 11.686 -3.515 1.00 0.00 C ATOM 665 O SER A 43 1.869 11.838 -4.068 1.00 0.00 O ATOM 666 CB SER A 43 -1.675 12.260 -3.630 1.00 0.00 C ATOM 667 OG SER A 43 -2.842 12.263 -4.437 1.00 0.00 O ATOM 0 H SER A 43 -0.518 9.504 -3.984 1.00 0.00 H new ATOM 0 HA SER A 43 -0.323 12.085 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.881 11.746 -2.691 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.400 13.285 -3.379 1.00 0.00 H new ATOM 0 HG SER A 43 -3.521 11.684 -4.032 1.00 0.00 H new ATOM 673 N CYS A 44 0.636 11.544 -2.188 1.00 0.00 N ATOM 674 CA CYS A 44 1.755 11.687 -1.240 1.00 0.00 C ATOM 675 C CYS A 44 1.232 11.742 0.219 1.00 0.00 C ATOM 676 O CYS A 44 1.702 10.986 1.068 1.00 0.00 O ATOM 677 CB CYS A 44 2.610 12.944 -1.551 1.00 0.00 C ATOM 678 SG CYS A 44 3.933 13.307 -0.340 1.00 0.00 S ATOM 0 H CYS A 44 -0.255 11.327 -1.741 1.00 0.00 H new ATOM 0 HA CYS A 44 2.394 10.811 -1.354 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.064 12.821 -2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.948 13.808 -1.611 1.00 0.00 H new ATOM 683 N PRO A 45 0.248 12.650 0.540 1.00 0.00 N ATOM 684 CA PRO A 45 -0.338 12.727 1.891 1.00 0.00 C ATOM 685 C PRO A 45 -1.071 11.439 2.260 1.00 0.00 C ATOM 686 O PRO A 45 -1.714 10.809 1.405 1.00 0.00 O ATOM 687 CB PRO A 45 -1.329 13.899 1.795 1.00 0.00 C ATOM 688 CG PRO A 45 -1.610 14.045 0.341 1.00 0.00 C ATOM 689 CD PRO A 45 -0.341 13.667 -0.359 1.00 0.00 C ATOM 0 HA PRO A 45 0.421 12.866 2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.241 13.692 2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.902 14.813 2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.433 13.399 0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.900 15.067 0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.534 13.263 -1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.320 14.524 -0.486 1.00 0.00 H new ATOM 697 N GLN A 46 -1.001 11.062 3.533 1.00 0.00 N ATOM 698 CA GLN A 46 -1.601 9.816 3.993 1.00 0.00 C ATOM 699 C GLN A 46 -3.119 9.886 3.973 1.00 0.00 C ATOM 700 O GLN A 46 -3.780 8.865 3.870 1.00 0.00 O ATOM 701 CB GLN A 46 -1.099 9.450 5.392 1.00 0.00 C ATOM 702 CG GLN A 46 -1.528 8.061 5.857 1.00 0.00 C ATOM 703 CD GLN A 46 -0.997 7.711 7.230 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.807 8.578 8.078 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.750 6.435 7.453 1.00 0.00 N ATOM 0 H GLN A 46 -0.535 11.601 4.263 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.294 9.032 3.300 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.011 9.507 5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.464 10.190 6.104 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.617 8.007 5.869 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.180 7.319 5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.922 5.747 6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.387 6.136 8.358 1.00 0.00 H new ATOM 714 N GLN A 47 -3.666 11.087 4.068 1.00 0.00 N ATOM 715 CA GLN A 47 -5.112 11.267 4.029 1.00 0.00 C ATOM 716 C GLN A 47 -5.692 10.665 2.748 1.00 0.00 C ATOM 717 O GLN A 47 -6.532 9.771 2.796 1.00 0.00 O ATOM 718 CB GLN A 47 -5.469 12.754 4.132 1.00 0.00 C ATOM 719 CG GLN A 47 -6.956 13.046 3.994 1.00 0.00 C ATOM 720 CD GLN A 47 -7.798 12.357 5.049 1.00 0.00 C ATOM 721 OE1 GLN A 47 -7.359 12.140 6.182 1.00 0.00 O ATOM 722 NE2 GLN A 47 -9.012 12.002 4.687 1.00 0.00 N ATOM 0 H GLN A 47 -3.134 11.951 4.172 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.548 10.747 4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.122 13.134 5.093 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.929 13.301 3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.116 14.122 4.056 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.292 12.730 3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.340 12.198 3.741 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.625 11.531 5.352 1.00 0.00 H new ATOM 731 N TRP A 48 -5.213 11.146 1.612 1.00 0.00 N ATOM 732 CA TRP A 48 -5.671 10.661 0.316 1.00 0.00 C ATOM 733 C TRP A 48 -5.264 9.199 0.124 1.00 0.00 C ATOM 734 O TRP A 48 -6.098 8.341 -0.199 1.00 0.00 O ATOM 735 CB TRP A 48 -5.065 11.529 -0.804 1.00 0.00 C ATOM 736 CG TRP A 48 -5.614 11.241 -2.174 1.00 0.00 C ATOM 737 CD1 TRP A 48 -5.310 10.177 -2.979 1.00 0.00 C ATOM 738 CD2 TRP A 48 -6.548 12.042 -2.907 1.00 0.00 C ATOM 739 NE1 TRP A 48 -6.008 10.265 -4.158 1.00 0.00 N ATOM 740 CE2 TRP A 48 -6.774 11.400 -4.139 1.00 0.00 C ATOM 741 CE3 TRP A 48 -7.220 13.238 -2.638 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -7.641 11.913 -5.100 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -8.081 13.747 -3.593 1.00 0.00 C ATOM 744 CH2 TRP A 48 -8.284 13.084 -4.810 1.00 0.00 C ATOM 0 H TRP A 48 -4.503 11.876 1.559 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.758 10.728 0.275 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.239 12.579 -0.569 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.985 11.380 -0.819 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.622 9.384 -2.724 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.963 9.593 -4.924 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.070 13.755 -1.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.800 11.405 -6.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -8.605 14.671 -3.397 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -8.963 13.507 -5.535 1.00 0.00 H new ATOM 755 N ILE A 49 -3.982 8.928 0.345 1.00 0.00 N ATOM 756 CA ILE A 49 -3.422 7.596 0.166 1.00 0.00 C ATOM 757 C ILE A 49 -4.152 6.553 0.985 1.00 0.00 C ATOM 758 O ILE A 49 -4.728 5.632 0.435 1.00 0.00 O ATOM 759 CB ILE A 49 -1.916 7.569 0.523 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.114 8.310 -0.550 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.409 6.131 0.703 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.362 8.409 -0.254 1.00 0.00 C ATOM 0 H ILE A 49 -3.304 9.625 0.653 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.547 7.350 -0.889 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.777 8.079 1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.249 7.803 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.520 9.315 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.348 6.148 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.964 5.648 1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.555 5.575 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.860 8.947 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.510 8.944 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.784 7.408 -0.171 1.00 0.00 H new ATOM 774 N LYS A 50 -4.156 6.725 2.293 1.00 0.00 N ATOM 775 CA LYS A 50 -4.739 5.741 3.180 1.00 0.00 C ATOM 776 C LYS A 50 -6.242 5.629 3.022 1.00 0.00 C ATOM 777 O LYS A 50 -6.818 4.589 3.330 1.00 0.00 O ATOM 778 CB LYS A 50 -4.354 5.998 4.636 1.00 0.00 C ATOM 779 CG LYS A 50 -3.277 5.059 5.147 1.00 0.00 C ATOM 780 CD LYS A 50 -3.741 3.623 5.054 1.00 0.00 C ATOM 781 CE LYS A 50 -2.654 2.642 5.439 1.00 0.00 C ATOM 782 NZ LYS A 50 -3.041 1.256 5.097 1.00 0.00 N ATOM 0 H LYS A 50 -3.761 7.539 2.764 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.320 4.778 2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.007 7.026 4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.241 5.898 5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.365 5.191 4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.034 5.303 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.604 3.479 5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.071 3.415 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.728 2.901 4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.457 2.714 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.372 0.591 5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.000 1.066 5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.024 1.136 4.064 1.00 0.00 H new ATOM 796 N TYR A 51 -6.880 6.684 2.546 1.00 0.00 N ATOM 797 CA TYR A 51 -8.313 6.633 2.321 1.00 0.00 C ATOM 798 C TYR A 51 -8.638 5.607 1.236 1.00 0.00 C ATOM 799 O TYR A 51 -9.486 4.727 1.424 1.00 0.00 O ATOM 800 CB TYR A 51 -8.859 8.009 1.926 1.00 0.00 C ATOM 801 CG TYR A 51 -10.364 8.049 1.794 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.174 7.947 2.913 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.973 8.183 0.552 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.547 7.975 2.806 1.00 0.00 C ATOM 805 CE2 TYR A 51 -12.351 8.216 0.434 1.00 0.00 C ATOM 806 CZ TYR A 51 -13.133 8.109 1.568 1.00 0.00 C ATOM 807 OH TYR A 51 -14.507 8.135 1.462 1.00 0.00 O ATOM 0 H TYR A 51 -6.437 7.572 2.311 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.792 6.333 3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.549 8.741 2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.412 8.310 0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.721 7.844 3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.361 8.263 -0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.161 7.892 3.690 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.812 8.325 -0.537 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.761 8.236 0.521 1.00 0.00 H new ATOM 817 N PHE A 52 -7.963 5.725 0.103 1.00 0.00 N ATOM 818 CA PHE A 52 -8.164 4.798 -1.010 1.00 0.00 C ATOM 819 C PHE A 52 -7.479 3.453 -0.770 1.00 0.00 C ATOM 820 O PHE A 52 -8.047 2.392 -1.056 1.00 0.00 O ATOM 821 CB PHE A 52 -7.705 5.422 -2.324 1.00 0.00 C ATOM 822 CG PHE A 52 -8.578 6.559 -2.762 1.00 0.00 C ATOM 823 CD1 PHE A 52 -8.284 7.860 -2.393 1.00 0.00 C ATOM 824 CD2 PHE A 52 -9.705 6.322 -3.530 1.00 0.00 C ATOM 825 CE1 PHE A 52 -9.096 8.903 -2.784 1.00 0.00 C ATOM 826 CE2 PHE A 52 -10.520 7.363 -3.925 1.00 0.00 C ATOM 827 CZ PHE A 52 -10.215 8.655 -3.550 1.00 0.00 C ATOM 0 H PHE A 52 -7.270 6.452 -0.074 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.234 4.601 -1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.681 5.778 -2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.695 4.657 -3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.409 8.060 -1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.949 5.312 -3.823 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.856 9.914 -2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.395 7.167 -4.527 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.852 9.471 -3.856 1.00 0.00 H new ATOM 837 N ASP A 53 -6.262 3.507 -0.236 1.00 0.00 N ATOM 838 CA ASP A 53 -5.460 2.306 0.040 1.00 0.00 C ATOM 839 C ASP A 53 -6.213 1.324 0.908 1.00 0.00 C ATOM 840 O ASP A 53 -6.226 0.141 0.628 1.00 0.00 O ATOM 841 CB ASP A 53 -4.135 2.690 0.714 1.00 0.00 C ATOM 842 CG ASP A 53 -3.355 1.494 1.236 1.00 0.00 C ATOM 843 OD1 ASP A 53 -3.248 1.347 2.481 1.00 0.00 O ATOM 844 OD2 ASP A 53 -2.844 0.712 0.416 1.00 0.00 O ATOM 0 H ASP A 53 -5.800 4.380 0.019 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.251 1.823 -0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.517 3.234 -0.000 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.340 3.370 1.541 1.00 0.00 H new ATOM 849 N LYS A 54 -6.902 1.847 1.918 1.00 0.00 N ATOM 850 CA LYS A 54 -7.640 1.043 2.908 1.00 0.00 C ATOM 851 C LYS A 54 -8.575 -0.003 2.255 1.00 0.00 C ATOM 852 O LYS A 54 -8.917 -1.018 2.877 1.00 0.00 O ATOM 853 CB LYS A 54 -8.454 1.985 3.801 1.00 0.00 C ATOM 854 CG LYS A 54 -9.100 1.322 5.006 1.00 0.00 C ATOM 855 CD LYS A 54 -9.974 2.301 5.780 1.00 0.00 C ATOM 856 CE LYS A 54 -9.174 3.495 6.288 1.00 0.00 C ATOM 857 NZ LYS A 54 -10.028 4.461 7.023 1.00 0.00 N ATOM 0 H LYS A 54 -6.969 2.852 2.081 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.910 0.486 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.802 2.785 4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.234 2.450 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.703 0.476 4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.326 0.926 5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.783 2.652 5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.436 1.788 6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.376 3.145 6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.699 3.998 5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.447 5.258 7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.775 4.815 6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.462 3.988 7.841 1.00 0.00 H new ATOM 871 N ARG A 55 -8.973 0.240 1.013 1.00 0.00 N ATOM 872 CA ARG A 55 -9.868 -0.667 0.304 1.00 0.00 C ATOM 873 C ARG A 55 -9.128 -1.933 -0.181 1.00 0.00 C ATOM 874 O ARG A 55 -9.683 -3.035 -0.156 1.00 0.00 O ATOM 875 CB ARG A 55 -10.522 0.065 -0.875 1.00 0.00 C ATOM 876 CG ARG A 55 -11.576 -0.745 -1.612 1.00 0.00 C ATOM 877 CD ARG A 55 -12.225 0.079 -2.711 1.00 0.00 C ATOM 878 NE ARG A 55 -13.263 -0.667 -3.421 1.00 0.00 N ATOM 879 CZ ARG A 55 -14.128 -0.118 -4.278 1.00 0.00 C ATOM 880 NH1 ARG A 55 -14.083 1.183 -4.536 1.00 0.00 N ATOM 881 NH2 ARG A 55 -15.038 -0.871 -4.875 1.00 0.00 N ATOM 0 H ARG A 55 -8.690 1.059 0.474 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.643 -0.992 0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.979 0.984 -0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.745 0.356 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.120 -1.637 -2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.337 -1.084 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.659 0.980 -2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.462 0.401 -3.420 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.331 -1.670 -3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.385 1.770 -4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.746 1.596 -5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.079 -1.871 -4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.698 -0.451 -5.529 1.00 0.00 H new ATOM 895 N ARG A 56 -7.880 -1.769 -0.616 1.00 0.00 N ATOM 896 CA ARG A 56 -7.078 -2.901 -1.117 1.00 0.00 C ATOM 897 C ARG A 56 -6.018 -3.316 -0.100 1.00 0.00 C ATOM 898 O ARG A 56 -5.482 -4.424 -0.165 1.00 0.00 O ATOM 899 CB ARG A 56 -6.388 -2.554 -2.453 1.00 0.00 C ATOM 900 CG ARG A 56 -7.320 -2.450 -3.659 1.00 0.00 C ATOM 901 CD ARG A 56 -8.124 -1.159 -3.658 1.00 0.00 C ATOM 902 NE ARG A 56 -7.273 0.032 -3.748 1.00 0.00 N ATOM 903 CZ ARG A 56 -7.660 1.197 -4.285 1.00 0.00 C ATOM 904 NH1 ARG A 56 -8.876 1.326 -4.813 1.00 0.00 N ATOM 905 NH2 ARG A 56 -6.823 2.223 -4.308 1.00 0.00 N ATOM 0 H ARG A 56 -7.397 -0.871 -0.635 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.766 -3.731 -1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.863 -1.606 -2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.633 -3.312 -2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.733 -2.509 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.002 -3.300 -3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.821 -1.168 -4.496 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.721 -1.107 -2.748 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.325 -0.031 -3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.520 0.535 -4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.163 2.216 -5.220 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.886 2.125 -3.917 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.116 3.111 -4.716 1.00 0.00 H new ATOM 919 N ASP A 57 -5.729 -2.404 0.813 1.00 0.00 N ATOM 920 CA ASP A 57 -4.701 -2.556 1.852 1.00 0.00 C ATOM 921 C ASP A 57 -4.721 -3.911 2.516 1.00 0.00 C ATOM 922 O ASP A 57 -5.713 -4.305 3.135 1.00 0.00 O ATOM 923 CB ASP A 57 -4.871 -1.457 2.893 1.00 0.00 C ATOM 924 CG ASP A 57 -4.004 -1.626 4.118 1.00 0.00 C ATOM 925 OD1 ASP A 57 -2.978 -2.346 4.060 1.00 0.00 O ATOM 926 OD2 ASP A 57 -4.345 -1.023 5.151 1.00 0.00 O ATOM 0 H ASP A 57 -6.213 -1.507 0.861 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.731 -2.470 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.645 -0.496 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.916 -1.424 3.203 1.00 0.00 H new ATOM 931 N TYR A 58 -3.632 -4.638 2.343 1.00 0.00 N ATOM 932 CA TYR A 58 -3.473 -5.914 2.980 1.00 0.00 C ATOM 933 C TYR A 58 -2.279 -5.924 3.935 1.00 0.00 C ATOM 934 O TYR A 58 -2.443 -6.078 5.135 1.00 0.00 O ATOM 935 CB TYR A 58 -3.336 -7.014 1.951 1.00 0.00 C ATOM 936 CG TYR A 58 -3.170 -8.389 2.570 1.00 0.00 C ATOM 937 CD1 TYR A 58 -3.991 -8.811 3.611 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.176 -9.250 2.134 1.00 0.00 C ATOM 939 CE1 TYR A 58 -3.820 -10.049 4.194 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.005 -10.492 2.712 1.00 0.00 C ATOM 941 CZ TYR A 58 -2.826 -10.883 3.741 1.00 0.00 C ATOM 942 OH TYR A 58 -2.645 -12.113 4.331 1.00 0.00 O ATOM 0 H TYR A 58 -2.844 -4.356 1.760 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.371 -6.097 3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.217 -7.015 1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.477 -6.803 1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.774 -8.159 3.968 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.524 -8.945 1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.464 -10.362 5.003 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.229 -11.153 2.356 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.903 -12.580 3.893 1.00 0.00 H new ATOM 952 N LEU A 59 -1.072 -5.753 3.396 1.00 0.00 N ATOM 953 CA LEU A 59 0.131 -5.793 4.233 1.00 0.00 C ATOM 954 C LEU A 59 0.355 -4.505 5.011 1.00 0.00 C ATOM 955 O LEU A 59 0.941 -4.530 6.088 1.00 0.00 O ATOM 956 CB LEU A 59 1.393 -6.143 3.427 1.00 0.00 C ATOM 957 CG LEU A 59 1.644 -7.637 3.150 1.00 0.00 C ATOM 958 CD1 LEU A 59 1.141 -8.501 4.288 1.00 0.00 C ATOM 959 CD2 LEU A 59 1.042 -8.074 1.824 1.00 0.00 C ATOM 0 H LEU A 59 -0.900 -5.589 2.404 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.051 -6.591 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.341 -5.624 2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.258 -5.745 3.959 1.00 0.00 H new ATOM 0 HG LEU A 59 2.723 -7.773 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.333 -9.550 4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.658 -8.228 5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.069 -8.348 4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.241 -9.134 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.035 -7.905 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.488 -7.496 1.014 1.00 0.00 H new ATOM 971 N LYS A 60 -0.102 -3.394 4.469 1.00 0.00 N ATOM 972 CA LYS A 60 0.119 -2.097 5.092 1.00 0.00 C ATOM 973 C LYS A 60 -0.541 -2.020 6.485 1.00 0.00 C ATOM 974 O LYS A 60 0.057 -1.509 7.432 1.00 0.00 O ATOM 975 CB LYS A 60 -0.399 -0.979 4.177 1.00 0.00 C ATOM 976 CG LYS A 60 0.105 0.413 4.522 1.00 0.00 C ATOM 977 CD LYS A 60 1.606 0.538 4.305 1.00 0.00 C ATOM 978 CE LYS A 60 1.992 0.222 2.866 1.00 0.00 C ATOM 979 NZ LYS A 60 3.341 0.734 2.544 1.00 0.00 N ATOM 0 H LYS A 60 -0.630 -3.360 3.597 1.00 0.00 H new ATOM 0 HA LYS A 60 1.192 -1.965 5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.115 -1.209 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.488 -0.975 4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.414 1.150 3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.132 0.639 5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.928 1.549 4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.130 -0.139 4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.963 -0.856 2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.262 0.663 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.768 0.145 1.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.269 1.716 2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.937 0.702 3.396 1.00 0.00 H new ATOM 993 N PHE A 61 -1.766 -2.528 6.604 1.00 0.00 N ATOM 994 CA PHE A 61 -2.477 -2.498 7.887 1.00 0.00 C ATOM 995 C PHE A 61 -2.242 -3.767 8.695 1.00 0.00 C ATOM 996 O PHE A 61 -2.447 -3.785 9.908 1.00 0.00 O ATOM 997 CB PHE A 61 -3.989 -2.309 7.674 1.00 0.00 C ATOM 998 CG PHE A 61 -4.782 -3.592 7.477 1.00 0.00 C ATOM 999 CD1 PHE A 61 -5.607 -4.054 8.491 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -4.707 -4.335 6.291 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -6.339 -5.213 8.339 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -5.443 -5.496 6.145 1.00 0.00 C ATOM 1003 CZ PHE A 61 -6.257 -5.933 7.165 1.00 0.00 C ATOM 0 H PHE A 61 -2.284 -2.961 5.840 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.079 -1.651 8.446 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.397 -1.777 8.534 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.140 -1.671 6.804 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.678 -3.498 9.414 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.070 -3.998 5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.977 -5.557 9.140 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.379 -6.062 5.227 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.832 -6.840 7.046 1.00 0.00 H new