USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 418 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 39 ASN : amide:sc= -1.99! C(o=-2.8!,f=-7!) USER MOD Set 1.2: A 42 THR OG1 : rot -14:sc= -0.822 USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= -0.0371 (180deg=-0.273) USER MOD Single : A 9 TYR OH : rot -109:sc= 1.29 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.65 K(o=-1.7,f=-0.0095) USER MOD Single : A 15 SER OG : rot -48:sc= 0.148 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0238 K(o=-0.024,f=-0.61) USER MOD Single : A 32 SER OG : rot 170:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -12:sc= 0.968 USER MOD Single : A 36 THR OG1 : rot 48:sc= 0.00122 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.149 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.012) USER MOD Single : A 53 ASN : amide:sc= -0.851 K(o=-0.85,f=-0.014) USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= 1.16 (180deg=0.877) USER MOD Single : A 59 ASN : amide:sc= 0.00446 K(o=0.0045,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 8 -4.059 -6.433 13.827 1.00 0.00 N ATOM 112 CA LYS A 8 -4.568 -5.720 12.685 1.00 0.00 C ATOM 113 C LYS A 8 -4.053 -6.476 11.473 1.00 0.00 C ATOM 114 O LYS A 8 -3.374 -7.514 11.659 1.00 0.00 O ATOM 115 CB LYS A 8 -4.103 -4.220 12.670 1.00 0.00 C ATOM 116 CG LYS A 8 -2.678 -3.921 12.156 1.00 0.00 C ATOM 117 CD LYS A 8 -1.582 -4.615 12.943 1.00 0.00 C ATOM 118 CE LYS A 8 -0.219 -4.286 12.365 1.00 0.00 C ATOM 119 NZ LYS A 8 0.098 -2.837 12.428 1.00 0.00 N ATOM 0 HA LYS A 8 -5.657 -5.678 12.701 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.807 -3.656 12.058 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.182 -3.833 13.686 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.608 -4.223 11.111 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.509 -2.845 12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.625 -4.305 13.987 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.740 -5.693 12.924 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.545 -4.844 12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.180 -4.617 11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.112 -2.695 12.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.457 -2.329 11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.139 -2.471 13.372 1.00 0.00 H new ATOM 133 N TYR A 9 -4.329 -5.984 10.289 1.00 0.00 N ATOM 134 CA TYR A 9 -3.929 -6.625 9.066 1.00 0.00 C ATOM 135 C TYR A 9 -2.421 -6.337 8.760 1.00 0.00 C ATOM 136 O TYR A 9 -1.612 -6.084 9.664 1.00 0.00 O ATOM 137 CB TYR A 9 -4.825 -6.087 7.937 1.00 0.00 C ATOM 138 CG TYR A 9 -5.076 -7.075 6.825 1.00 0.00 C ATOM 139 CD1 TYR A 9 -4.334 -8.238 6.726 1.00 0.00 C ATOM 140 CD2 TYR A 9 -6.077 -6.858 5.908 1.00 0.00 C ATOM 141 CE1 TYR A 9 -4.575 -9.156 5.753 1.00 0.00 C ATOM 142 CE2 TYR A 9 -6.329 -7.775 4.906 1.00 0.00 C ATOM 143 CZ TYR A 9 -5.572 -8.930 4.839 1.00 0.00 C ATOM 144 OH TYR A 9 -5.817 -9.865 3.860 1.00 0.00 O ATOM 0 H TYR A 9 -4.845 -5.115 10.149 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.042 -7.706 9.153 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.782 -5.783 8.361 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.364 -5.193 7.517 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.544 -8.421 7.439 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.673 -5.960 5.972 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.984 -10.059 5.700 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.109 -7.592 4.182 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.520 -9.517 2.993 1.00 0.00 H new ATOM 154 N ARG A 10 -2.073 -6.369 7.494 1.00 0.00 N ATOM 155 CA ARG A 10 -0.733 -6.204 7.054 1.00 0.00 C ATOM 156 C ARG A 10 -0.643 -4.924 6.231 1.00 0.00 C ATOM 157 O ARG A 10 -1.278 -4.787 5.165 1.00 0.00 O ATOM 158 CB ARG A 10 -0.225 -7.424 6.235 1.00 0.00 C ATOM 159 CG ARG A 10 -0.964 -7.678 4.913 1.00 0.00 C ATOM 160 CD ARG A 10 -0.171 -8.569 3.975 1.00 0.00 C ATOM 161 NE ARG A 10 1.237 -8.124 3.802 1.00 0.00 N ATOM 162 CZ ARG A 10 1.696 -6.938 3.322 1.00 0.00 C ATOM 163 NH1 ARG A 10 0.869 -5.913 3.075 1.00 0.00 N ATOM 164 NH2 ARG A 10 2.995 -6.777 3.140 1.00 0.00 N ATOM 0 H ARG A 10 -2.739 -6.515 6.735 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.088 -6.133 7.930 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.834 -7.281 6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.306 -8.317 6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.929 -8.140 5.121 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.166 -6.726 4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.179 -9.589 4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.662 -8.590 3.002 1.00 0.00 H new ATOM 0 HE ARG A 10 1.952 -8.796 4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.131 -6.012 3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.240 -5.034 2.715 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.639 -7.537 3.359 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.354 -5.892 2.780 1.00 0.00 H new ATOM 178 N THR A 11 0.057 -3.990 6.723 1.00 0.00 N ATOM 179 CA THR A 11 0.208 -2.760 6.048 1.00 0.00 C ATOM 180 C THR A 11 1.574 -2.685 5.356 1.00 0.00 C ATOM 181 O THR A 11 2.589 -3.141 5.912 1.00 0.00 O ATOM 182 CB THR A 11 0.036 -1.591 7.036 1.00 0.00 C ATOM 183 OG1 THR A 11 1.011 -1.710 8.089 1.00 0.00 O ATOM 184 CG2 THR A 11 -1.355 -1.587 7.660 1.00 0.00 C ATOM 0 H THR A 11 0.550 -4.050 7.614 1.00 0.00 H new ATOM 0 HA THR A 11 -0.563 -2.687 5.281 1.00 0.00 H new ATOM 0 HB THR A 11 0.173 -0.662 6.483 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.905 -0.966 8.718 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.441 -0.749 8.352 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.105 -1.489 6.876 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.514 -2.521 8.200 1.00 0.00 H new ATOM 192 N PRO A 12 1.616 -2.155 4.123 1.00 0.00 N ATOM 193 CA PRO A 12 2.863 -1.957 3.406 1.00 0.00 C ATOM 194 C PRO A 12 3.616 -0.750 3.969 1.00 0.00 C ATOM 195 O PRO A 12 3.031 0.113 4.628 1.00 0.00 O ATOM 196 CB PRO A 12 2.405 -1.676 1.975 1.00 0.00 C ATOM 197 CG PRO A 12 1.084 -1.031 2.145 1.00 0.00 C ATOM 198 CD PRO A 12 0.453 -1.700 3.335 1.00 0.00 C ATOM 0 HA PRO A 12 3.541 -2.807 3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.104 -1.023 1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.330 -2.594 1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.190 0.041 2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.469 -1.157 1.254 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.171 -1.009 3.901 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.183 -2.534 3.038 1.00 0.00 H new ATOM 206 N ASN A 13 4.889 -0.700 3.741 1.00 0.00 N ATOM 207 CA ASN A 13 5.697 0.398 4.232 1.00 0.00 C ATOM 208 C ASN A 13 6.059 1.276 3.064 1.00 0.00 C ATOM 209 O ASN A 13 6.478 0.764 2.005 1.00 0.00 O ATOM 210 CB ASN A 13 7.004 -0.088 4.923 1.00 0.00 C ATOM 211 CG ASN A 13 6.829 -0.993 6.191 1.00 0.00 C ATOM 212 OD1 ASN A 13 7.658 -0.931 7.106 1.00 0.00 O ATOM 213 ND2 ASN A 13 5.808 -1.866 6.256 1.00 0.00 N ATOM 0 H ASN A 13 5.405 -1.406 3.216 1.00 0.00 H new ATOM 0 HA ASN A 13 5.116 0.940 4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.593 -0.638 4.190 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.586 0.789 5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.714 -2.482 7.064 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.127 -1.912 5.498 1.00 0.00 H new ATOM 220 N CYS A 14 5.879 2.571 3.209 1.00 0.00 N ATOM 221 CA CYS A 14 6.238 3.491 2.157 1.00 0.00 C ATOM 222 C CYS A 14 7.745 3.714 2.142 1.00 0.00 C ATOM 223 O CYS A 14 8.260 4.639 2.763 1.00 0.00 O ATOM 224 CB CYS A 14 5.481 4.831 2.263 1.00 0.00 C ATOM 225 SG CYS A 14 5.885 6.025 0.928 1.00 0.00 S ATOM 0 H CYS A 14 5.487 3.008 4.043 1.00 0.00 H new ATOM 0 HA CYS A 14 5.938 3.038 1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.409 4.633 2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.707 5.289 3.226 1.00 0.00 H new ATOM 230 N SER A 15 8.441 2.775 1.541 1.00 0.00 N ATOM 231 CA SER A 15 9.873 2.862 1.355 1.00 0.00 C ATOM 232 C SER A 15 10.243 1.935 0.194 1.00 0.00 C ATOM 233 O SER A 15 11.370 1.456 0.072 1.00 0.00 O ATOM 234 CB SER A 15 10.594 2.442 2.651 1.00 0.00 C ATOM 235 OG SER A 15 11.981 2.755 2.605 1.00 0.00 O ATOM 0 H SER A 15 8.026 1.923 1.164 1.00 0.00 H new ATOM 0 HA SER A 15 10.178 3.883 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.135 2.945 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.467 1.371 2.807 1.00 0.00 H new ATOM 0 HG SER A 15 12.359 2.441 1.757 1.00 0.00 H new ATOM 241 N GLN A 16 9.289 1.737 -0.695 1.00 0.00 N ATOM 242 CA GLN A 16 9.457 0.811 -1.808 1.00 0.00 C ATOM 243 C GLN A 16 9.050 1.482 -3.087 1.00 0.00 C ATOM 244 O GLN A 16 8.643 0.853 -4.062 1.00 0.00 O ATOM 245 CB GLN A 16 8.653 -0.450 -1.573 1.00 0.00 C ATOM 246 CG GLN A 16 7.116 -0.163 -1.396 1.00 0.00 C ATOM 247 CD GLN A 16 6.282 -1.438 -1.241 1.00 0.00 C ATOM 248 OE1 GLN A 16 5.851 -2.006 -2.239 1.00 0.00 O ATOM 249 NE2 GLN A 16 6.011 -1.882 -0.022 1.00 0.00 N ATOM 0 H GLN A 16 8.383 2.206 -0.671 1.00 0.00 H new ATOM 0 HA GLN A 16 10.506 0.526 -1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.798 -1.130 -2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.029 -0.956 -0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.969 0.469 -0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.755 0.398 -2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.381 -1.393 0.793 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.433 -2.713 0.101 1.00 0.00 H new ATOM 258 N TYR A 17 9.213 2.732 -3.076 1.00 0.00 N ATOM 259 CA TYR A 17 8.888 3.578 -4.191 1.00 0.00 C ATOM 260 C TYR A 17 10.135 4.304 -4.628 1.00 0.00 C ATOM 261 O TYR A 17 11.185 4.155 -3.996 1.00 0.00 O ATOM 262 CB TYR A 17 7.785 4.571 -3.802 1.00 0.00 C ATOM 263 CG TYR A 17 6.522 3.861 -3.428 1.00 0.00 C ATOM 264 CD1 TYR A 17 5.989 2.934 -4.293 1.00 0.00 C ATOM 265 CD2 TYR A 17 5.891 4.073 -2.214 1.00 0.00 C ATOM 266 CE1 TYR A 17 4.873 2.238 -3.986 1.00 0.00 C ATOM 267 CE2 TYR A 17 4.749 3.370 -1.886 1.00 0.00 C ATOM 268 CZ TYR A 17 4.242 2.450 -2.780 1.00 0.00 C ATOM 269 OH TYR A 17 3.099 1.754 -2.473 1.00 0.00 O ATOM 0 H TYR A 17 9.588 3.238 -2.274 1.00 0.00 H new ATOM 0 HA TYR A 17 8.514 2.974 -5.018 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.122 5.183 -2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.592 5.248 -4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.475 2.758 -5.241 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.295 4.794 -1.518 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.476 1.517 -4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.258 3.539 -0.939 1.00 0.00 H new ATOM 0 HH TYR A 17 2.782 2.021 -1.585 1.00 0.00 H new ATOM 279 N ARG A 18 10.052 5.034 -5.692 1.00 0.00 N ATOM 280 CA ARG A 18 11.126 5.815 -6.155 1.00 0.00 C ATOM 281 C ARG A 18 10.500 6.884 -7.030 1.00 0.00 C ATOM 282 O ARG A 18 9.297 6.785 -7.300 1.00 0.00 O ATOM 283 CB ARG A 18 12.127 4.951 -6.935 1.00 0.00 C ATOM 284 CG ARG A 18 13.471 5.605 -7.032 1.00 0.00 C ATOM 285 CD ARG A 18 14.161 5.660 -5.663 1.00 0.00 C ATOM 286 NE ARG A 18 15.263 6.630 -5.622 1.00 0.00 N ATOM 287 CZ ARG A 18 15.849 7.065 -4.492 1.00 0.00 C ATOM 288 NH1 ARG A 18 15.559 6.496 -3.320 1.00 0.00 N ATOM 289 NH2 ARG A 18 16.718 8.077 -4.533 1.00 0.00 N ATOM 0 H ARG A 18 9.213 5.098 -6.268 1.00 0.00 H new ATOM 0 HA ARG A 18 11.693 6.262 -5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.229 3.982 -6.446 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.741 4.763 -7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.096 5.055 -7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.359 6.615 -7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.426 5.919 -4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 18 14.544 4.670 -5.414 1.00 0.00 H new ATOM 0 HE ARG A 18 15.607 6.998 -6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.890 5.727 -3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 18 16.006 6.830 -2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.940 8.523 -5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.161 8.404 -3.674 1.00 0.00 H new ATOM 303 N LEU A 19 11.293 7.872 -7.449 1.00 0.00 N ATOM 304 CA LEU A 19 10.870 9.021 -8.250 1.00 0.00 C ATOM 305 C LEU A 19 10.333 10.129 -7.397 1.00 0.00 C ATOM 306 O LEU A 19 9.670 9.883 -6.397 1.00 0.00 O ATOM 307 CB LEU A 19 9.902 8.711 -9.430 1.00 0.00 C ATOM 308 CG LEU A 19 10.536 8.218 -10.728 1.00 0.00 C ATOM 309 CD1 LEU A 19 11.182 6.846 -10.585 1.00 0.00 C ATOM 310 CD2 LEU A 19 9.540 8.245 -11.876 1.00 0.00 C ATOM 0 H LEU A 19 12.289 7.894 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 19 11.793 9.348 -8.730 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.187 7.960 -9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.335 9.615 -9.651 1.00 0.00 H new ATOM 0 HG LEU A 19 11.340 8.915 -10.963 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.616 6.547 -11.539 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.965 6.890 -9.828 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.428 6.118 -10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.023 7.888 -12.785 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.693 7.601 -11.638 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.188 9.265 -12.029 1.00 0.00 H new ATOM 322 N PRO A 20 10.665 11.383 -7.746 1.00 0.00 N ATOM 323 CA PRO A 20 10.110 12.546 -7.075 1.00 0.00 C ATOM 324 C PRO A 20 8.611 12.651 -7.351 1.00 0.00 C ATOM 325 O PRO A 20 7.860 13.284 -6.593 1.00 0.00 O ATOM 326 CB PRO A 20 10.863 13.728 -7.691 1.00 0.00 C ATOM 327 CG PRO A 20 11.406 13.220 -8.976 1.00 0.00 C ATOM 328 CD PRO A 20 11.652 11.755 -8.779 1.00 0.00 C ATOM 0 HA PRO A 20 10.221 12.504 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 20 10.198 14.576 -7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.663 14.070 -7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.701 13.390 -9.790 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.329 13.737 -9.240 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.501 11.194 -9.701 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.672 11.559 -8.450 1.00 0.00 H new ATOM 336 N GLY A 21 8.191 12.035 -8.436 1.00 0.00 N ATOM 337 CA GLY A 21 6.803 11.958 -8.751 1.00 0.00 C ATOM 338 C GLY A 21 6.293 10.587 -8.410 1.00 0.00 C ATOM 339 O GLY A 21 6.547 10.089 -7.329 1.00 0.00 O ATOM 0 H GLY A 21 8.806 11.581 -9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.249 12.714 -8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.646 12.164 -9.810 1.00 0.00 H new ATOM 343 N CYS A 22 5.623 9.959 -9.321 1.00 0.00 N ATOM 344 CA CYS A 22 5.130 8.620 -9.094 1.00 0.00 C ATOM 345 C CYS A 22 5.332 7.821 -10.333 1.00 0.00 C ATOM 346 O CYS A 22 4.837 8.205 -11.402 1.00 0.00 O ATOM 347 CB CYS A 22 3.644 8.611 -8.692 1.00 0.00 C ATOM 348 SG CYS A 22 3.313 9.405 -7.097 1.00 0.00 S ATOM 0 H CYS A 22 5.398 10.346 -10.238 1.00 0.00 H new ATOM 0 HA CYS A 22 5.686 8.183 -8.265 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.065 9.115 -9.466 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.294 7.579 -8.653 1.00 0.00 H new ATOM 353 N PRO A 23 6.070 6.724 -10.253 1.00 0.00 N ATOM 354 CA PRO A 23 6.321 5.906 -11.400 1.00 0.00 C ATOM 355 C PRO A 23 5.128 5.001 -11.703 1.00 0.00 C ATOM 356 O PRO A 23 4.740 4.119 -10.918 1.00 0.00 O ATOM 357 CB PRO A 23 7.527 5.094 -10.969 1.00 0.00 C ATOM 358 CG PRO A 23 7.233 4.862 -9.551 1.00 0.00 C ATOM 359 CD PRO A 23 6.711 6.174 -9.044 1.00 0.00 C ATOM 0 HA PRO A 23 6.487 6.478 -12.313 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.615 4.162 -11.527 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.460 5.639 -11.110 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.496 4.069 -9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.127 4.556 -9.007 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.002 6.045 -8.227 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.509 6.818 -8.674 1.00 0.00 H new ATOM 367 N ARG A 24 4.588 5.233 -12.849 1.00 0.00 N ATOM 368 CA ARG A 24 3.481 4.540 -13.402 1.00 0.00 C ATOM 369 C ARG A 24 2.226 4.709 -12.574 1.00 0.00 C ATOM 370 O ARG A 24 2.198 5.338 -11.515 1.00 0.00 O ATOM 371 CB ARG A 24 3.770 3.036 -13.682 1.00 0.00 C ATOM 372 CG ARG A 24 4.857 2.753 -14.727 1.00 0.00 C ATOM 373 CD ARG A 24 6.255 3.058 -14.214 1.00 0.00 C ATOM 374 NE ARG A 24 7.271 2.968 -15.258 1.00 0.00 N ATOM 375 CZ ARG A 24 8.591 2.907 -15.035 1.00 0.00 C ATOM 376 NH1 ARG A 24 9.062 2.809 -13.781 1.00 0.00 N ATOM 377 NH2 ARG A 24 9.436 2.911 -16.057 1.00 0.00 N ATOM 0 H ARG A 24 4.936 5.966 -13.467 1.00 0.00 H new ATOM 0 HA ARG A 24 3.306 5.008 -14.371 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.059 2.560 -12.745 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.845 2.561 -14.009 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.804 1.706 -15.026 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.663 3.350 -15.618 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.269 4.060 -13.784 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.502 2.363 -13.411 1.00 0.00 H new ATOM 0 HE ARG A 24 6.953 2.950 -16.227 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.414 2.781 -12.994 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.068 2.763 -13.616 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.081 2.961 -17.012 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.441 2.865 -15.888 1.00 0.00 H new ATOM 391 N HIS A 25 1.200 4.220 -13.110 1.00 0.00 N ATOM 392 CA HIS A 25 -0.083 4.166 -12.440 1.00 0.00 C ATOM 393 C HIS A 25 -0.553 2.740 -12.353 1.00 0.00 C ATOM 394 O HIS A 25 -1.753 2.464 -12.282 1.00 0.00 O ATOM 395 CB HIS A 25 -1.126 5.066 -13.113 1.00 0.00 C ATOM 396 CG HIS A 25 -0.916 6.520 -12.846 1.00 0.00 C ATOM 397 ND1 HIS A 25 -0.551 7.428 -13.809 1.00 0.00 N ATOM 398 CD2 HIS A 25 -1.037 7.222 -11.698 1.00 0.00 C ATOM 399 CE1 HIS A 25 -0.452 8.620 -13.261 1.00 0.00 C ATOM 400 NE2 HIS A 25 -0.745 8.522 -11.984 1.00 0.00 N ATOM 0 H HIS A 25 1.192 3.826 -14.051 1.00 0.00 H new ATOM 0 HA HIS A 25 0.045 4.554 -11.429 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.102 4.895 -14.189 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.119 4.780 -12.766 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.314 6.826 -10.732 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -0.176 9.528 -13.776 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.753 9.293 -11.316 1.00 0.00 H new ATOM 409 N PHE A 26 0.417 1.835 -12.325 1.00 0.00 N ATOM 410 CA PHE A 26 0.155 0.416 -12.167 1.00 0.00 C ATOM 411 C PHE A 26 -0.456 0.144 -10.803 1.00 0.00 C ATOM 412 O PHE A 26 -0.221 0.899 -9.863 1.00 0.00 O ATOM 413 CB PHE A 26 1.442 -0.441 -12.393 1.00 0.00 C ATOM 414 CG PHE A 26 2.732 -0.019 -11.660 1.00 0.00 C ATOM 415 CD1 PHE A 26 2.727 0.497 -10.366 1.00 0.00 C ATOM 416 CD2 PHE A 26 3.954 -0.157 -12.297 1.00 0.00 C ATOM 417 CE1 PHE A 26 3.902 0.863 -9.738 1.00 0.00 C ATOM 418 CE2 PHE A 26 5.132 0.208 -11.672 1.00 0.00 C ATOM 419 CZ PHE A 26 5.106 0.717 -10.392 1.00 0.00 C ATOM 0 H PHE A 26 1.406 2.067 -12.411 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.561 0.119 -12.933 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.215 -1.467 -12.104 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.653 -0.450 -13.462 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.788 0.613 -9.845 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.987 -0.557 -13.300 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.877 1.263 -8.735 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.074 0.094 -12.188 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.026 1.001 -9.903 1.00 0.00 H new ATOM 429 N ASN A 27 -1.238 -0.898 -10.677 1.00 0.00 N ATOM 430 CA ASN A 27 -1.837 -1.198 -9.399 1.00 0.00 C ATOM 431 C ASN A 27 -1.358 -2.603 -8.925 1.00 0.00 C ATOM 432 O ASN A 27 -2.055 -3.598 -9.144 1.00 0.00 O ATOM 433 CB ASN A 27 -3.462 -1.193 -9.470 1.00 0.00 C ATOM 434 CG ASN A 27 -4.072 0.144 -9.819 1.00 0.00 C ATOM 435 OD1 ASN A 27 -3.544 1.206 -9.485 1.00 0.00 O ATOM 436 ND2 ASN A 27 -5.189 0.103 -10.504 1.00 0.00 N ATOM 0 H ASN A 27 -1.473 -1.545 -11.430 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.527 -0.423 -8.698 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.783 -1.928 -10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.856 -1.517 -8.507 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.651 0.970 -10.779 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.596 -0.796 -10.762 1.00 0.00 H new ATOM 443 N PRO A 28 -0.144 -2.717 -8.363 1.00 0.00 N ATOM 444 CA PRO A 28 0.335 -3.966 -7.766 1.00 0.00 C ATOM 445 C PRO A 28 -0.513 -4.520 -6.644 1.00 0.00 C ATOM 446 O PRO A 28 -0.850 -5.675 -6.673 1.00 0.00 O ATOM 447 CB PRO A 28 1.716 -3.647 -7.232 1.00 0.00 C ATOM 448 CG PRO A 28 2.168 -2.483 -8.045 1.00 0.00 C ATOM 449 CD PRO A 28 0.916 -1.718 -8.436 1.00 0.00 C ATOM 0 HA PRO A 28 0.309 -4.742 -8.531 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.685 -3.402 -6.170 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.391 -4.496 -7.343 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.846 -1.850 -7.473 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.712 -2.815 -8.929 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.728 -0.886 -7.757 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.001 -1.299 -9.438 1.00 0.00 H new ATOM 457 N VAL A 29 -0.898 -3.695 -5.711 1.00 0.00 N ATOM 458 CA VAL A 29 -1.524 -4.168 -4.485 1.00 0.00 C ATOM 459 C VAL A 29 -3.031 -3.926 -4.442 1.00 0.00 C ATOM 460 O VAL A 29 -3.602 -3.210 -5.278 1.00 0.00 O ATOM 461 CB VAL A 29 -0.837 -3.581 -3.224 1.00 0.00 C ATOM 462 CG1 VAL A 29 0.646 -3.973 -3.191 1.00 0.00 C ATOM 463 CG2 VAL A 29 -1.008 -2.067 -3.136 1.00 0.00 C ATOM 0 H VAL A 29 -0.793 -2.682 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.381 -5.249 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.328 -4.008 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.114 -3.553 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.735 -5.059 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.145 -3.585 -4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.512 -1.696 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.565 -1.599 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.069 -1.823 -3.091 1.00 0.00 H new ATOM 473 N CYS A 30 -3.647 -4.485 -3.447 1.00 0.00 N ATOM 474 CA CYS A 30 -5.057 -4.504 -3.319 1.00 0.00 C ATOM 475 C CYS A 30 -5.505 -3.651 -2.152 1.00 0.00 C ATOM 476 O CYS A 30 -4.971 -3.720 -1.076 1.00 0.00 O ATOM 477 CB CYS A 30 -5.540 -5.952 -3.153 1.00 0.00 C ATOM 478 SG CYS A 30 -5.188 -7.039 -4.564 1.00 0.00 S ATOM 0 H CYS A 30 -3.160 -4.953 -2.682 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.498 -4.085 -4.223 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.076 -6.375 -2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.616 -5.943 -2.979 1.00 0.00 H new ATOM 483 N GLY A 31 -6.471 -2.884 -2.405 1.00 0.00 N ATOM 484 CA GLY A 31 -7.072 -1.955 -1.459 1.00 0.00 C ATOM 485 C GLY A 31 -8.010 -2.589 -0.444 1.00 0.00 C ATOM 486 O GLY A 31 -9.095 -3.017 -0.820 1.00 0.00 O ATOM 0 H GLY A 31 -6.917 -2.857 -3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.275 -1.440 -0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.623 -1.197 -2.017 1.00 0.00 H new ATOM 490 N SER A 32 -7.609 -2.642 0.869 1.00 0.00 N ATOM 491 CA SER A 32 -8.524 -3.165 1.899 1.00 0.00 C ATOM 492 C SER A 32 -9.640 -2.170 2.075 1.00 0.00 C ATOM 493 O SER A 32 -10.799 -2.539 2.229 1.00 0.00 O ATOM 494 CB SER A 32 -7.814 -3.403 3.242 1.00 0.00 C ATOM 495 OG SER A 32 -8.700 -3.880 4.247 1.00 0.00 O ATOM 0 H SER A 32 -6.697 -2.340 1.212 1.00 0.00 H new ATOM 0 HA SER A 32 -8.907 -4.132 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.008 -4.123 3.101 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.356 -2.473 3.577 1.00 0.00 H new ATOM 0 HG SER A 32 -8.184 -4.169 5.028 1.00 0.00 H new ATOM 501 N ASP A 33 -9.288 -0.884 1.956 1.00 0.00 N ATOM 502 CA ASP A 33 -10.254 0.210 2.031 1.00 0.00 C ATOM 503 C ASP A 33 -10.998 0.378 0.698 1.00 0.00 C ATOM 504 O ASP A 33 -11.543 1.441 0.406 1.00 0.00 O ATOM 505 CB ASP A 33 -9.559 1.516 2.458 1.00 0.00 C ATOM 506 CG ASP A 33 -9.153 1.509 3.923 1.00 0.00 C ATOM 507 OD1 ASP A 33 -8.087 0.951 4.269 1.00 0.00 O ATOM 508 OD2 ASP A 33 -9.906 2.046 4.761 1.00 0.00 O ATOM 0 H ASP A 33 -8.327 -0.577 1.805 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.996 -0.037 2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.675 1.672 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.228 2.357 2.274 1.00 0.00 H new ATOM 513 N MET A 34 -11.036 -0.718 -0.064 1.00 0.00 N ATOM 514 CA MET A 34 -11.731 -0.868 -1.340 1.00 0.00 C ATOM 515 C MET A 34 -11.029 -0.090 -2.422 1.00 0.00 C ATOM 516 O MET A 34 -11.416 1.039 -2.757 1.00 0.00 O ATOM 517 CB MET A 34 -13.224 -0.496 -1.255 1.00 0.00 C ATOM 518 CG MET A 34 -14.047 -0.962 -2.444 1.00 0.00 C ATOM 519 SD MET A 34 -14.058 -2.764 -2.581 1.00 0.00 S ATOM 520 CE MET A 34 -15.104 -2.993 -4.016 1.00 0.00 C ATOM 0 H MET A 34 -10.553 -1.573 0.212 1.00 0.00 H new ATOM 0 HA MET A 34 -11.698 -1.926 -1.599 1.00 0.00 H new ATOM 0 HB2 MET A 34 -13.643 -0.926 -0.345 1.00 0.00 H new ATOM 0 HB3 MET A 34 -13.313 0.587 -1.167 1.00 0.00 H new ATOM 0 HG2 MET A 34 -15.070 -0.598 -2.344 1.00 0.00 H new ATOM 0 HG3 MET A 34 -13.642 -0.530 -3.359 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.206 -4.058 -4.226 1.00 0.00 H new ATOM 0 HE2 MET A 34 -16.088 -2.566 -3.821 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.656 -2.495 -4.876 1.00 0.00 H new ATOM 530 N SER A 35 -9.966 -0.665 -2.943 1.00 0.00 N ATOM 531 CA SER A 35 -9.130 -0.030 -3.941 1.00 0.00 C ATOM 532 C SER A 35 -8.210 -1.062 -4.616 1.00 0.00 C ATOM 533 O SER A 35 -8.204 -2.234 -4.288 1.00 0.00 O ATOM 534 CB SER A 35 -8.247 1.097 -3.313 1.00 0.00 C ATOM 535 OG SER A 35 -9.020 2.140 -2.714 1.00 0.00 O ATOM 0 H SER A 35 -9.653 -1.600 -2.682 1.00 0.00 H new ATOM 0 HA SER A 35 -9.796 0.412 -4.682 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.590 0.660 -2.561 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.607 1.524 -4.086 1.00 0.00 H new ATOM 0 HG SER A 35 -9.958 2.048 -2.983 1.00 0.00 H new ATOM 541 N THR A 36 -7.532 -0.595 -5.575 1.00 0.00 N ATOM 542 CA THR A 36 -6.482 -1.274 -6.320 1.00 0.00 C ATOM 543 C THR A 36 -5.373 -0.263 -6.536 1.00 0.00 C ATOM 544 O THR A 36 -5.591 0.717 -7.232 1.00 0.00 O ATOM 545 CB THR A 36 -6.996 -1.845 -7.661 1.00 0.00 C ATOM 546 OG1 THR A 36 -7.964 -0.951 -8.243 1.00 0.00 O ATOM 547 CG2 THR A 36 -7.604 -3.228 -7.469 1.00 0.00 C ATOM 0 H THR A 36 -7.685 0.354 -5.916 1.00 0.00 H new ATOM 0 HA THR A 36 -6.119 -2.135 -5.759 1.00 0.00 H new ATOM 0 HB THR A 36 -6.147 -1.939 -8.339 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.618 -0.034 -8.220 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.958 -3.606 -8.428 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.849 -3.905 -7.068 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.441 -3.164 -6.773 1.00 0.00 H new ATOM 555 N TYR A 37 -4.245 -0.432 -5.903 1.00 0.00 N ATOM 556 CA TYR A 37 -3.213 0.598 -5.946 1.00 0.00 C ATOM 557 C TYR A 37 -1.799 0.075 -5.771 1.00 0.00 C ATOM 558 O TYR A 37 -1.586 -1.101 -5.886 1.00 0.00 O ATOM 559 CB TYR A 37 -3.509 1.756 -4.968 1.00 0.00 C ATOM 560 CG TYR A 37 -4.098 1.443 -3.658 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.022 0.205 -3.075 1.00 0.00 C ATOM 562 CD2 TYR A 37 -4.738 2.443 -3.001 1.00 0.00 C ATOM 563 CE1 TYR A 37 -4.593 -0.027 -1.882 1.00 0.00 C ATOM 564 CE2 TYR A 37 -5.308 2.244 -1.808 1.00 0.00 C ATOM 565 CZ TYR A 37 -5.254 1.003 -1.231 1.00 0.00 C ATOM 566 OH TYR A 37 -5.874 0.783 -0.025 1.00 0.00 O ATOM 0 H TYR A 37 -4.007 -1.258 -5.354 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.255 0.991 -6.962 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.573 2.286 -4.791 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.179 2.452 -5.473 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.497 -0.592 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.788 3.423 -3.452 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.538 -1.008 -1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.808 3.057 -1.302 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.286 1.615 0.288 1.00 0.00 H new ATOM 576 N ALA A 38 -0.844 1.029 -5.651 1.00 0.00 N ATOM 577 CA ALA A 38 0.571 0.866 -5.189 1.00 0.00 C ATOM 578 C ALA A 38 1.462 1.876 -5.868 1.00 0.00 C ATOM 579 O ALA A 38 1.897 1.663 -6.990 1.00 0.00 O ATOM 580 CB ALA A 38 1.218 -0.526 -5.378 1.00 0.00 C ATOM 0 H ALA A 38 -1.047 2.000 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 38 0.493 1.015 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.241 -0.506 -5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.644 -1.272 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.226 -0.783 -6.437 1.00 0.00 H new ATOM 586 N ASN A 39 1.669 2.980 -5.203 1.00 0.00 N ATOM 587 CA ASN A 39 2.608 4.020 -5.603 1.00 0.00 C ATOM 588 C ASN A 39 2.528 5.137 -4.614 1.00 0.00 C ATOM 589 O ASN A 39 1.717 5.066 -3.691 1.00 0.00 O ATOM 590 CB ASN A 39 2.510 4.508 -7.078 1.00 0.00 C ATOM 591 CG ASN A 39 1.202 5.166 -7.402 1.00 0.00 C ATOM 592 OD1 ASN A 39 1.055 6.340 -7.207 1.00 0.00 O ATOM 593 ND2 ASN A 39 0.249 4.426 -7.889 1.00 0.00 N ATOM 0 H ASN A 39 1.177 3.198 -4.337 1.00 0.00 H new ATOM 0 HA ASN A 39 3.599 3.567 -5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.320 5.210 -7.275 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.656 3.658 -7.745 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.654 4.842 -8.116 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.405 3.430 -8.044 1.00 0.00 H new ATOM 600 N GLU A 40 3.353 6.153 -4.745 1.00 0.00 N ATOM 601 CA GLU A 40 3.321 7.212 -3.767 1.00 0.00 C ATOM 602 C GLU A 40 2.242 8.247 -4.037 1.00 0.00 C ATOM 603 O GLU A 40 2.115 9.220 -3.315 1.00 0.00 O ATOM 604 CB GLU A 40 4.672 7.851 -3.479 1.00 0.00 C ATOM 605 CG GLU A 40 5.380 8.442 -4.654 1.00 0.00 C ATOM 606 CD GLU A 40 6.239 9.579 -4.213 1.00 0.00 C ATOM 607 OE1 GLU A 40 7.331 9.350 -3.646 1.00 0.00 O ATOM 608 OE2 GLU A 40 5.806 10.740 -4.355 1.00 0.00 O ATOM 0 H GLU A 40 4.034 6.266 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 40 3.044 6.704 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.530 8.634 -2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.320 7.098 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.991 7.682 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.654 8.788 -5.390 1.00 0.00 H new ATOM 615 N CYS A 41 1.433 7.981 -5.017 1.00 0.00 N ATOM 616 CA CYS A 41 0.321 8.830 -5.342 1.00 0.00 C ATOM 617 C CYS A 41 -0.909 8.101 -4.946 1.00 0.00 C ATOM 618 O CYS A 41 -1.878 8.689 -4.505 1.00 0.00 O ATOM 619 CB CYS A 41 0.273 9.240 -6.831 1.00 0.00 C ATOM 620 SG CYS A 41 1.583 10.408 -7.356 1.00 0.00 S ATOM 0 H CYS A 41 1.524 7.163 -5.620 1.00 0.00 H new ATOM 0 HA CYS A 41 0.420 9.771 -4.800 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.343 8.340 -7.442 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.698 9.690 -7.037 1.00 0.00 H new ATOM 625 N THR A 42 -0.855 6.787 -5.044 1.00 0.00 N ATOM 626 CA THR A 42 -1.947 6.033 -4.603 1.00 0.00 C ATOM 627 C THR A 42 -1.802 5.670 -3.149 1.00 0.00 C ATOM 628 O THR A 42 -2.508 6.242 -2.312 1.00 0.00 O ATOM 629 CB THR A 42 -2.268 4.815 -5.451 1.00 0.00 C ATOM 630 OG1 THR A 42 -1.106 3.990 -5.577 1.00 0.00 O ATOM 631 CG2 THR A 42 -2.787 5.222 -6.820 1.00 0.00 C ATOM 0 H THR A 42 -0.071 6.254 -5.421 1.00 0.00 H new ATOM 0 HA THR A 42 -2.811 6.687 -4.722 1.00 0.00 H new ATOM 0 HB THR A 42 -3.054 4.246 -4.955 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.316 4.492 -5.287 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.008 4.330 -7.405 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.695 5.814 -6.704 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.031 5.815 -7.334 1.00 0.00 H new ATOM 639 N LEU A 43 -0.816 4.806 -2.782 1.00 0.00 N ATOM 640 CA LEU A 43 -0.812 4.446 -1.362 1.00 0.00 C ATOM 641 C LEU A 43 -0.164 5.422 -0.607 1.00 0.00 C ATOM 642 O LEU A 43 -0.697 5.875 0.224 1.00 0.00 O ATOM 643 CB LEU A 43 -0.203 3.152 -0.888 1.00 0.00 C ATOM 644 CG LEU A 43 -0.878 1.901 -1.248 1.00 0.00 C ATOM 645 CD1 LEU A 43 -0.022 0.713 -0.855 1.00 0.00 C ATOM 646 CD2 LEU A 43 -2.156 1.833 -0.500 1.00 0.00 C ATOM 0 H LEU A 43 -0.098 4.394 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.888 4.338 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.817 3.103 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.134 3.194 0.199 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.052 1.876 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.534 -0.210 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.934 0.765 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.150 0.729 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.677 0.909 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.953 1.854 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.780 2.686 -0.768 1.00 0.00 H new ATOM 658 N CYS A 44 1.022 5.738 -0.927 1.00 0.00 N ATOM 659 CA CYS A 44 1.802 6.617 -0.024 1.00 0.00 C ATOM 660 C CYS A 44 1.116 7.951 0.309 1.00 0.00 C ATOM 661 O CYS A 44 1.281 8.459 1.403 1.00 0.00 O ATOM 662 CB CYS A 44 3.271 6.748 -0.393 1.00 0.00 C ATOM 663 SG CYS A 44 4.354 7.355 0.934 1.00 0.00 S ATOM 0 H CYS A 44 1.504 5.435 -1.773 1.00 0.00 H new ATOM 0 HA CYS A 44 1.812 6.078 0.923 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.635 5.774 -0.719 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.356 7.422 -1.246 1.00 0.00 H new ATOM 668 N MET A 45 0.298 8.463 -0.599 1.00 0.00 N ATOM 669 CA MET A 45 -0.575 9.585 -0.259 1.00 0.00 C ATOM 670 C MET A 45 -1.507 9.112 0.809 1.00 0.00 C ATOM 671 O MET A 45 -1.458 9.559 1.966 1.00 0.00 O ATOM 672 CB MET A 45 -1.375 10.039 -1.478 1.00 0.00 C ATOM 673 CG MET A 45 -0.524 10.729 -2.475 1.00 0.00 C ATOM 674 SD MET A 45 0.249 12.228 -1.827 1.00 0.00 S ATOM 675 CE MET A 45 1.253 12.702 -3.237 1.00 0.00 C ATOM 0 H MET A 45 0.218 8.130 -1.560 1.00 0.00 H new ATOM 0 HA MET A 45 0.018 10.433 0.082 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.849 9.175 -1.943 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.174 10.708 -1.159 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.253 10.045 -2.817 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.128 10.986 -3.345 1.00 0.00 H new ATOM 0 HE1 MET A 45 1.800 13.615 -3.004 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.960 11.904 -3.465 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.610 12.875 -4.100 1.00 0.00 H new ATOM 685 N LYS A 46 -2.281 8.125 0.422 1.00 0.00 N ATOM 686 CA LYS A 46 -3.208 7.441 1.278 1.00 0.00 C ATOM 687 C LYS A 46 -2.586 6.986 2.582 1.00 0.00 C ATOM 688 O LYS A 46 -3.161 7.179 3.629 1.00 0.00 O ATOM 689 CB LYS A 46 -3.729 6.188 0.586 1.00 0.00 C ATOM 690 CG LYS A 46 -5.170 6.196 0.110 1.00 0.00 C ATOM 691 CD LYS A 46 -5.419 6.933 -1.227 1.00 0.00 C ATOM 692 CE LYS A 46 -5.216 8.441 -1.142 1.00 0.00 C ATOM 693 NZ LYS A 46 -5.566 9.130 -2.404 1.00 0.00 N ATOM 0 H LYS A 46 -2.278 7.767 -0.533 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.001 8.158 1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.092 5.991 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.606 5.350 1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.507 5.165 0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.788 6.657 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.750 6.527 -1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.437 6.730 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.825 8.842 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.176 8.651 -0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.411 10.153 -2.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.968 8.769 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.566 8.953 -2.630 1.00 0.00 H new ATOM 707 N ILE A 47 -1.446 6.390 2.511 1.00 0.00 N ATOM 708 CA ILE A 47 -0.960 5.698 3.590 1.00 0.00 C ATOM 709 C ILE A 47 -0.443 6.593 4.702 1.00 0.00 C ATOM 710 O ILE A 47 -0.509 6.232 5.881 1.00 0.00 O ATOM 711 CB ILE A 47 0.008 4.552 3.219 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.159 3.427 4.221 1.00 0.00 C ATOM 713 CG2 ILE A 47 1.465 5.037 3.218 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.674 2.206 3.927 1.00 0.00 C ATOM 0 H ILE A 47 -0.844 6.385 1.688 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.832 5.196 4.010 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.229 4.200 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.099 3.798 5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.209 3.137 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.124 4.210 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.581 5.840 2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.726 5.406 4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.495 1.450 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.401 1.806 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.730 2.477 3.926 1.00 0.00 H new ATOM 726 N ARG A 48 0.094 7.754 4.322 1.00 0.00 N ATOM 727 CA ARG A 48 0.595 8.669 5.308 1.00 0.00 C ATOM 728 C ARG A 48 -0.572 9.210 6.067 1.00 0.00 C ATOM 729 O ARG A 48 -0.548 9.250 7.299 1.00 0.00 O ATOM 730 CB ARG A 48 1.336 9.793 4.624 1.00 0.00 C ATOM 731 CG ARG A 48 2.738 9.453 4.134 1.00 0.00 C ATOM 732 CD ARG A 48 3.137 10.390 3.005 1.00 0.00 C ATOM 733 NE ARG A 48 2.650 11.753 3.235 1.00 0.00 N ATOM 734 CZ ARG A 48 2.090 12.532 2.306 1.00 0.00 C ATOM 735 NH1 ARG A 48 2.069 12.152 1.027 1.00 0.00 N ATOM 736 NH2 ARG A 48 1.560 13.690 2.658 1.00 0.00 N ATOM 0 H ARG A 48 0.185 8.065 3.355 1.00 0.00 H new ATOM 0 HA ARG A 48 1.283 8.165 5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.744 10.130 3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.406 10.633 5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.449 9.537 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.771 8.420 3.788 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.223 10.403 2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.738 10.015 2.063 1.00 0.00 H new ATOM 0 HE ARG A 48 2.746 12.136 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.483 11.261 0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.639 12.753 0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.580 13.984 3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.131 14.290 1.953 1.00 0.00 H new ATOM 750 N GLU A 49 -1.642 9.518 5.325 1.00 0.00 N ATOM 751 CA GLU A 49 -2.926 9.922 5.900 1.00 0.00 C ATOM 752 C GLU A 49 -3.887 10.333 4.819 1.00 0.00 C ATOM 753 O GLU A 49 -4.913 10.983 5.099 1.00 0.00 O ATOM 754 CB GLU A 49 -2.809 11.064 6.930 1.00 0.00 C ATOM 755 CG GLU A 49 -2.350 12.440 6.387 1.00 0.00 C ATOM 756 CD GLU A 49 -0.916 12.511 5.890 1.00 0.00 C ATOM 757 OE1 GLU A 49 0.017 12.584 6.717 1.00 0.00 O ATOM 758 OE2 GLU A 49 -0.708 12.545 4.670 1.00 0.00 O ATOM 0 H GLU A 49 -1.640 9.493 4.305 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.299 9.045 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.780 11.193 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.110 10.753 7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.012 12.726 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.478 13.182 7.176 1.00 0.00 H new ATOM 765 N GLY A 50 -3.625 9.906 3.613 1.00 0.00 N ATOM 766 CA GLY A 50 -4.528 10.208 2.542 1.00 0.00 C ATOM 767 C GLY A 50 -5.760 9.384 2.737 1.00 0.00 C ATOM 768 O GLY A 50 -6.833 9.719 2.253 1.00 0.00 O ATOM 0 H GLY A 50 -2.806 9.357 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.775 11.270 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.067 9.985 1.580 1.00 0.00 H new ATOM 772 N GLY A 51 -5.589 8.268 3.435 1.00 0.00 N ATOM 773 CA GLY A 51 -6.704 7.536 3.861 1.00 0.00 C ATOM 774 C GLY A 51 -6.576 7.195 5.316 1.00 0.00 C ATOM 775 O GLY A 51 -7.166 7.829 6.176 1.00 0.00 O ATOM 0 H GLY A 51 -4.684 7.878 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.613 8.114 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.795 6.623 3.273 1.00 0.00 H new ATOM 779 N HIS A 52 -5.750 6.237 5.568 1.00 0.00 N ATOM 780 CA HIS A 52 -5.568 5.592 6.830 1.00 0.00 C ATOM 781 C HIS A 52 -4.194 5.062 6.750 1.00 0.00 C ATOM 782 O HIS A 52 -3.486 5.358 5.788 1.00 0.00 O ATOM 783 CB HIS A 52 -6.542 4.397 7.018 1.00 0.00 C ATOM 784 CG HIS A 52 -7.991 4.752 7.155 1.00 0.00 C ATOM 785 ND1 HIS A 52 -8.566 5.139 8.338 1.00 0.00 N ATOM 786 CD2 HIS A 52 -8.981 4.757 6.244 1.00 0.00 C ATOM 787 CE1 HIS A 52 -9.842 5.362 8.151 1.00 0.00 C ATOM 788 NE2 HIS A 52 -10.123 5.136 6.884 1.00 0.00 N ATOM 0 H HIS A 52 -5.139 5.854 4.847 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.747 6.279 7.657 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.431 3.725 6.167 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.238 3.841 7.905 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.888 4.507 5.198 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.545 5.678 8.907 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -11.043 5.229 6.453 1.00 0.00 H new ATOM 797 N ASN A 53 -3.803 4.286 7.680 1.00 0.00 N ATOM 798 CA ASN A 53 -2.614 3.515 7.487 1.00 0.00 C ATOM 799 C ASN A 53 -3.061 2.281 6.688 1.00 0.00 C ATOM 800 O ASN A 53 -3.461 1.266 7.264 1.00 0.00 O ATOM 801 CB ASN A 53 -1.962 3.124 8.824 1.00 0.00 C ATOM 802 CG ASN A 53 -0.705 2.205 8.692 1.00 0.00 C ATOM 803 OD1 ASN A 53 -0.440 1.406 9.590 1.00 0.00 O ATOM 804 ND2 ASN A 53 0.076 2.290 7.594 1.00 0.00 N ATOM 0 H ASN A 53 -4.272 4.158 8.577 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.849 4.082 6.957 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.677 4.033 9.353 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.704 2.616 9.440 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.895 1.689 7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.153 2.956 6.856 1.00 0.00 H new ATOM 811 N ILE A 54 -3.133 2.462 5.354 1.00 0.00 N ATOM 812 CA ILE A 54 -3.628 1.448 4.411 1.00 0.00 C ATOM 813 C ILE A 54 -3.083 0.076 4.661 1.00 0.00 C ATOM 814 O ILE A 54 -1.874 -0.122 4.824 1.00 0.00 O ATOM 815 CB ILE A 54 -3.426 1.817 2.886 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.461 2.845 2.359 1.00 0.00 C ATOM 817 CG2 ILE A 54 -3.576 0.556 2.047 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.680 4.066 3.197 1.00 0.00 C ATOM 0 H ILE A 54 -2.845 3.328 4.899 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.699 1.440 4.612 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.433 2.260 2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.147 3.166 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.418 2.336 2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.438 0.801 0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.826 -0.174 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.571 0.137 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.425 4.705 2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.032 3.771 4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.742 4.613 3.295 1.00 0.00 H new ATOM 830 N LYS A 55 -3.974 -0.867 4.660 1.00 0.00 N ATOM 831 CA LYS A 55 -3.620 -2.203 4.739 1.00 0.00 C ATOM 832 C LYS A 55 -3.973 -2.677 3.399 1.00 0.00 C ATOM 833 O LYS A 55 -5.108 -2.480 2.969 1.00 0.00 O ATOM 834 CB LYS A 55 -4.437 -3.010 5.789 1.00 0.00 C ATOM 835 CG LYS A 55 -5.226 -2.204 6.825 1.00 0.00 C ATOM 836 CD LYS A 55 -6.516 -1.633 6.235 1.00 0.00 C ATOM 837 CE LYS A 55 -7.215 -0.704 7.195 1.00 0.00 C ATOM 838 NZ LYS A 55 -8.498 -0.222 6.638 1.00 0.00 N ATOM 0 H LYS A 55 -4.979 -0.700 4.602 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.580 -2.328 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.137 -3.651 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.749 -3.666 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.466 -2.841 7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.606 -1.390 7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.287 -1.097 5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.186 -2.451 5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.396 -1.221 8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.570 0.146 7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.703 0.727 7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.432 -0.180 5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.261 -0.873 6.911 1.00 0.00 H new ATOM 852 N ILE A 56 -3.049 -3.142 2.667 1.00 0.00 N ATOM 853 CA ILE A 56 -3.414 -3.672 1.442 1.00 0.00 C ATOM 854 C ILE A 56 -4.060 -5.002 1.740 1.00 0.00 C ATOM 855 O ILE A 56 -3.560 -5.758 2.591 1.00 0.00 O ATOM 856 CB ILE A 56 -2.247 -3.829 0.480 1.00 0.00 C ATOM 857 CG1 ILE A 56 -1.164 -4.754 1.023 1.00 0.00 C ATOM 858 CG2 ILE A 56 -1.711 -2.470 0.103 1.00 0.00 C ATOM 859 CD1 ILE A 56 0.137 -4.708 0.246 1.00 0.00 C ATOM 0 H ILE A 56 -2.055 -3.164 2.894 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.096 -2.991 0.933 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.612 -4.315 -0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.964 -4.491 2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.540 -5.777 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.875 -2.587 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.498 -1.889 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.372 -1.951 1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.854 -5.394 0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.046 -5.001 -0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.539 -3.695 0.270 1.00 0.00 H new ATOM 871 N ILE A 57 -5.172 -5.270 1.132 1.00 0.00 N ATOM 872 CA ILE A 57 -5.890 -6.483 1.444 1.00 0.00 C ATOM 873 C ILE A 57 -5.116 -7.645 0.924 1.00 0.00 C ATOM 874 O ILE A 57 -5.018 -8.700 1.537 1.00 0.00 O ATOM 875 CB ILE A 57 -7.360 -6.462 0.923 1.00 0.00 C ATOM 876 CG1 ILE A 57 -8.150 -7.668 1.379 1.00 0.00 C ATOM 877 CG2 ILE A 57 -7.463 -6.271 -0.575 1.00 0.00 C ATOM 878 CD1 ILE A 57 -9.594 -7.704 0.893 1.00 0.00 C ATOM 0 H ILE A 57 -5.606 -4.678 0.423 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.980 -6.572 2.527 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.813 -5.581 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.643 -8.569 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.147 -7.697 2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.512 -6.266 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.003 -5.323 -0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.948 -7.087 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.082 -8.603 1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.123 -6.824 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.611 -7.710 -0.197 1.00 0.00 H new ATOM 890 N ARG A 58 -4.549 -7.399 -0.178 1.00 0.00 N ATOM 891 CA ARG A 58 -3.680 -8.258 -0.811 1.00 0.00 C ATOM 892 C ARG A 58 -2.450 -7.557 -1.241 1.00 0.00 C ATOM 893 O ARG A 58 -2.492 -6.398 -1.665 1.00 0.00 O ATOM 894 CB ARG A 58 -4.327 -9.138 -1.859 1.00 0.00 C ATOM 895 CG ARG A 58 -5.112 -10.264 -1.253 1.00 0.00 C ATOM 896 CD ARG A 58 -4.172 -11.246 -0.599 1.00 0.00 C ATOM 897 NE ARG A 58 -3.560 -12.152 -1.573 1.00 0.00 N ATOM 898 CZ ARG A 58 -2.501 -12.938 -1.340 1.00 0.00 C ATOM 899 NH1 ARG A 58 -1.865 -12.887 -0.172 1.00 0.00 N ATOM 900 NH2 ARG A 58 -2.089 -13.783 -2.273 1.00 0.00 N ATOM 0 H ARG A 58 -4.696 -6.529 -0.689 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.358 -8.990 -0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.986 -8.533 -2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.557 -9.546 -2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.816 -9.875 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.700 -10.765 -2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.390 -10.702 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.716 -11.828 0.145 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.974 -12.187 -2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.183 -12.246 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.059 -13.489 -0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.578 -13.834 -3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.283 -14.383 -2.098 1.00 0.00 H new ATOM 914 N ASN A 59 -1.366 -8.262 -1.128 1.00 0.00 N ATOM 915 CA ASN A 59 -0.052 -7.714 -1.326 1.00 0.00 C ATOM 916 C ASN A 59 0.343 -7.699 -2.795 1.00 0.00 C ATOM 917 O ASN A 59 1.426 -7.256 -3.151 1.00 0.00 O ATOM 918 CB ASN A 59 0.966 -8.526 -0.545 1.00 0.00 C ATOM 919 CG ASN A 59 1.280 -9.902 -1.139 1.00 0.00 C ATOM 920 OD1 ASN A 59 0.412 -10.572 -1.719 1.00 0.00 O ATOM 921 ND2 ASN A 59 2.514 -10.326 -1.007 1.00 0.00 N ATOM 0 H ASN A 59 -1.366 -9.254 -0.891 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.070 -6.684 -0.970 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.892 -7.955 -0.478 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.600 -8.660 0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.785 -11.233 -1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.203 -9.749 -0.524 1.00 0.00 H new ATOM 928 N GLY A 60 -0.533 -8.180 -3.627 1.00 0.00 N ATOM 929 CA GLY A 60 -0.259 -8.265 -5.025 1.00 0.00 C ATOM 930 C GLY A 60 -1.537 -8.386 -5.813 1.00 0.00 C ATOM 931 O GLY A 60 -2.465 -7.638 -5.565 1.00 0.00 O ATOM 0 H GLY A 60 -1.454 -8.523 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.290 -7.380 -5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.379 -9.126 -5.224 1.00 0.00 H new ATOM 935 N PRO A 61 -1.652 -9.369 -6.709 1.00 0.00 N ATOM 936 CA PRO A 61 -2.804 -9.498 -7.646 1.00 0.00 C ATOM 937 C PRO A 61 -4.113 -10.034 -7.012 1.00 0.00 C ATOM 938 O PRO A 61 -4.952 -10.622 -7.721 1.00 0.00 O ATOM 939 CB PRO A 61 -2.272 -10.492 -8.671 1.00 0.00 C ATOM 940 CG PRO A 61 -1.343 -11.357 -7.896 1.00 0.00 C ATOM 941 CD PRO A 61 -0.668 -10.457 -6.906 1.00 0.00 C ATOM 0 HA PRO A 61 -3.100 -8.524 -8.036 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.079 -11.074 -9.117 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.756 -9.985 -9.487 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.885 -12.156 -7.390 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.613 -11.832 -8.552 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.451 -10.977 -5.973 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.280 -10.078 -7.288 1.00 0.00 H new ATOM 949 N CYS A 62 -4.302 -9.752 -5.734 1.00 0.00 N ATOM 950 CA CYS A 62 -5.467 -10.185 -4.948 1.00 0.00 C ATOM 951 C CYS A 62 -5.558 -11.709 -4.831 1.00 0.00 C ATOM 952 O CYS A 62 -6.052 -12.375 -5.759 1.00 0.00 O ATOM 953 CB CYS A 62 -6.801 -9.553 -5.429 1.00 0.00 C ATOM 954 SG CYS A 62 -7.006 -7.744 -5.129 1.00 0.00 S ATOM 955 OXT CYS A 62 -5.095 -12.253 -3.808 1.00 0.00 O ATOM 0 H CYS A 62 -3.637 -9.201 -5.191 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.301 -9.800 -3.942 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.899 -9.735 -6.499 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.623 -10.076 -4.940 1.00 0.00 H new