USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=13 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 35 LYS NZ :NH3+ 170:sc= 0.536 (180deg=-0.0469) USER MOD Set 1.2: A 39 SER OG : rot 65:sc= 1.7 USER MOD Single : A 10 GLN : amide:sc= 0.196 K(o=0.2,f=-1.5) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.15) USER MOD Single : A 26 ASN : amide:sc= -2.47! C(o=-2.5!,f=-9.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.41) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 150:sc= 0.569 USER MOD Single : A 43 SER OG : rot 180:sc= -0.245 USER MOD Single : A 46 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.5) USER MOD Single : A 47 GLN : amide:sc= -0.0949 X(o=-0.095,f=-0.26) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 1.78 (180deg=1.51) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -173:sc=-3.31e-05 (180deg=-0.0538) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= 2.23 (180deg=1.27) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 6.021 11.157 5.763 1.00 0.00 N ATOM 118 CA ARG A 9 7.248 10.775 5.100 1.00 0.00 C ATOM 119 C ARG A 9 7.246 9.282 4.754 1.00 0.00 C ATOM 120 O ARG A 9 7.671 8.901 3.675 1.00 0.00 O ATOM 121 CB ARG A 9 8.457 11.133 5.977 1.00 0.00 C ATOM 122 CG ARG A 9 8.603 10.273 7.224 1.00 0.00 C ATOM 123 CD ARG A 9 9.387 10.984 8.305 1.00 0.00 C ATOM 124 NE ARG A 9 8.598 12.042 8.935 1.00 0.00 N ATOM 125 CZ ARG A 9 9.115 13.158 9.456 1.00 0.00 C ATOM 126 NH1 ARG A 9 10.422 13.391 9.386 1.00 0.00 N ATOM 127 NH2 ARG A 9 8.323 14.044 10.039 1.00 0.00 N ATOM 0 HA ARG A 9 7.321 11.330 4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.364 11.043 5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.376 12.178 6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.615 10.011 7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.103 9.340 6.966 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.701 10.264 9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.293 11.411 7.876 1.00 0.00 H new ATOM 0 HE ARG A 9 7.586 11.920 8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.037 12.715 8.932 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.810 14.245 9.786 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.319 13.874 10.090 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.717 14.896 10.437 1.00 0.00 H new ATOM 141 N GLN A 10 6.728 8.457 5.663 1.00 0.00 N ATOM 142 CA GLN A 10 6.701 7.009 5.464 1.00 0.00 C ATOM 143 C GLN A 10 5.858 6.654 4.256 1.00 0.00 C ATOM 144 O GLN A 10 6.266 5.876 3.405 1.00 0.00 O ATOM 145 CB GLN A 10 6.141 6.320 6.720 1.00 0.00 C ATOM 146 CG GLN A 10 6.394 4.815 6.789 1.00 0.00 C ATOM 147 CD GLN A 10 5.477 3.985 5.903 1.00 0.00 C ATOM 148 OE1 GLN A 10 4.320 4.336 5.668 1.00 0.00 O ATOM 149 NE2 GLN A 10 6.000 2.882 5.403 1.00 0.00 N ATOM 0 H GLN A 10 6.321 8.767 6.545 1.00 0.00 H new ATOM 0 HA GLN A 10 7.719 6.661 5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.579 6.789 7.601 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.066 6.497 6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.428 4.619 6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.278 4.486 7.822 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.963 2.629 5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.441 2.282 4.796 1.00 0.00 H new ATOM 158 N VAL A 11 4.699 7.250 4.183 1.00 0.00 N ATOM 159 CA VAL A 11 3.755 6.967 3.130 1.00 0.00 C ATOM 160 C VAL A 11 4.213 7.512 1.774 1.00 0.00 C ATOM 161 O VAL A 11 4.116 6.826 0.761 1.00 0.00 O ATOM 162 CB VAL A 11 2.364 7.526 3.492 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.392 7.380 2.340 1.00 0.00 C ATOM 164 CG2 VAL A 11 1.834 6.820 4.725 1.00 0.00 C ATOM 0 H VAL A 11 4.379 7.949 4.854 1.00 0.00 H new ATOM 0 HA VAL A 11 3.694 5.883 3.036 1.00 0.00 H new ATOM 0 HB VAL A 11 2.467 8.591 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.422 7.784 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.769 7.925 1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.285 6.325 2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.851 7.218 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.753 5.751 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.517 6.983 5.559 1.00 0.00 H new ATOM 174 N CYS A 12 4.735 8.721 1.765 1.00 0.00 N ATOM 175 CA CYS A 12 5.144 9.350 0.510 1.00 0.00 C ATOM 176 C CYS A 12 6.469 8.759 0.002 1.00 0.00 C ATOM 177 O CYS A 12 6.570 8.322 -1.157 1.00 0.00 O ATOM 178 CB CYS A 12 5.250 10.868 0.680 1.00 0.00 C ATOM 179 SG CYS A 12 5.172 11.815 -0.880 1.00 0.00 S ATOM 0 H CYS A 12 4.888 9.289 2.598 1.00 0.00 H new ATOM 0 HA CYS A 12 4.380 9.143 -0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.446 11.204 1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.189 11.099 1.184 1.00 0.00 H new ATOM 184 N TRP A 13 7.472 8.714 0.877 1.00 0.00 N ATOM 185 CA TRP A 13 8.770 8.171 0.509 1.00 0.00 C ATOM 186 C TRP A 13 8.647 6.677 0.259 1.00 0.00 C ATOM 187 O TRP A 13 9.261 6.138 -0.665 1.00 0.00 O ATOM 188 CB TRP A 13 9.808 8.453 1.606 1.00 0.00 C ATOM 189 CG TRP A 13 11.194 7.995 1.266 1.00 0.00 C ATOM 190 CD1 TRP A 13 12.130 8.683 0.552 1.00 0.00 C ATOM 191 CD2 TRP A 13 11.802 6.750 1.631 1.00 0.00 C ATOM 192 NE1 TRP A 13 13.279 7.943 0.447 1.00 0.00 N ATOM 193 CE2 TRP A 13 13.104 6.751 1.100 1.00 0.00 C ATOM 194 CE3 TRP A 13 11.372 5.632 2.354 1.00 0.00 C ATOM 195 CZ2 TRP A 13 13.980 5.682 1.267 1.00 0.00 C ATOM 196 CZ3 TRP A 13 12.241 4.571 2.520 1.00 0.00 C ATOM 197 CH2 TRP A 13 13.532 4.602 1.978 1.00 0.00 C ATOM 0 H TRP A 13 7.408 9.046 1.839 1.00 0.00 H new ATOM 0 HA TRP A 13 9.109 8.657 -0.406 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.829 9.524 1.805 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.490 7.964 2.527 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.987 9.667 0.131 1.00 0.00 H new ATOM 0 HE1 TRP A 13 14.128 8.233 -0.039 1.00 0.00 H new ATOM 0 HE3 TRP A 13 10.378 5.599 2.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 14.976 5.704 0.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 11.920 3.703 3.077 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.187 3.756 2.124 1.00 0.00 H new ATOM 208 N GLY A 14 7.830 6.021 1.075 1.00 0.00 N ATOM 209 CA GLY A 14 7.597 4.602 0.923 1.00 0.00 C ATOM 210 C GLY A 14 6.979 4.278 -0.413 1.00 0.00 C ATOM 211 O GLY A 14 7.337 3.302 -1.033 1.00 0.00 O ATOM 0 H GLY A 14 7.321 6.454 1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.540 4.065 1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.942 4.253 1.721 1.00 0.00 H new ATOM 215 N ALA A 15 6.057 5.122 -0.859 1.00 0.00 N ATOM 216 CA ALA A 15 5.410 4.951 -2.152 1.00 0.00 C ATOM 217 C ALA A 15 6.441 4.982 -3.269 1.00 0.00 C ATOM 218 O ALA A 15 6.422 4.155 -4.190 1.00 0.00 O ATOM 219 CB ALA A 15 4.387 6.052 -2.372 1.00 0.00 C ATOM 0 H ALA A 15 5.739 5.939 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 15 4.907 3.984 -2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.908 5.916 -3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.633 6.010 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.885 7.021 -2.346 1.00 0.00 H new ATOM 225 N ARG A 16 7.353 5.933 -3.173 1.00 0.00 N ATOM 226 CA ARG A 16 8.379 6.097 -4.176 1.00 0.00 C ATOM 227 C ARG A 16 9.392 4.955 -4.102 1.00 0.00 C ATOM 228 O ARG A 16 9.900 4.498 -5.120 1.00 0.00 O ATOM 229 CB ARG A 16 9.078 7.435 -4.000 1.00 0.00 C ATOM 230 CG ARG A 16 9.855 7.871 -5.220 1.00 0.00 C ATOM 231 CD ARG A 16 10.602 9.156 -4.968 1.00 0.00 C ATOM 232 NE ARG A 16 11.714 8.964 -4.042 1.00 0.00 N ATOM 233 CZ ARG A 16 12.655 9.878 -3.805 1.00 0.00 C ATOM 234 NH1 ARG A 16 12.582 11.076 -4.381 1.00 0.00 N ATOM 235 NH2 ARG A 16 13.663 9.600 -2.992 1.00 0.00 N ATOM 0 H ARG A 16 7.400 6.604 -2.406 1.00 0.00 H new ATOM 0 HA ARG A 16 7.907 6.075 -5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.335 8.196 -3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.757 7.373 -3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.559 7.089 -5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.172 8.004 -6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.979 9.548 -5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.917 9.901 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 16 11.775 8.075 -3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.805 11.296 -5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.303 11.774 -4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.721 8.685 -2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.382 10.301 -2.812 1.00 0.00 H new ATOM 249 N ASP A 17 9.675 4.503 -2.891 1.00 0.00 N ATOM 250 CA ASP A 17 10.597 3.387 -2.682 1.00 0.00 C ATOM 251 C ASP A 17 9.956 2.086 -3.160 1.00 0.00 C ATOM 252 O ASP A 17 10.618 1.231 -3.758 1.00 0.00 O ATOM 253 CB ASP A 17 10.987 3.286 -1.201 1.00 0.00 C ATOM 254 CG ASP A 17 12.055 2.242 -0.940 1.00 0.00 C ATOM 255 OD1 ASP A 17 13.210 2.443 -1.379 1.00 0.00 O ATOM 256 OD2 ASP A 17 11.757 1.229 -0.280 1.00 0.00 O ATOM 0 H ASP A 17 9.281 4.889 -2.033 1.00 0.00 H new ATOM 0 HA ASP A 17 11.503 3.563 -3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.344 4.257 -0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.101 3.046 -0.613 1.00 0.00 H new ATOM 261 N GLU A 18 8.654 1.964 -2.918 1.00 0.00 N ATOM 262 CA GLU A 18 7.888 0.811 -3.348 1.00 0.00 C ATOM 263 C GLU A 18 7.775 0.749 -4.867 1.00 0.00 C ATOM 264 O GLU A 18 7.498 -0.306 -5.424 1.00 0.00 O ATOM 265 CB GLU A 18 6.501 0.778 -2.701 1.00 0.00 C ATOM 266 CG GLU A 18 6.495 0.218 -1.285 1.00 0.00 C ATOM 267 CD GLU A 18 5.110 -0.195 -0.828 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.567 -1.172 -1.388 1.00 0.00 O ATOM 269 OE2 GLU A 18 4.570 0.431 0.105 1.00 0.00 O ATOM 0 H GLU A 18 8.106 2.664 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 18 8.432 -0.072 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.095 1.789 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.835 0.178 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.162 -0.643 -1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.891 0.968 -0.600 1.00 0.00 H new ATOM 276 N TYR A 19 7.962 1.888 -5.538 1.00 0.00 N ATOM 277 CA TYR A 19 7.985 1.897 -7.001 1.00 0.00 C ATOM 278 C TYR A 19 9.034 0.912 -7.501 1.00 0.00 C ATOM 279 O TYR A 19 8.824 0.197 -8.484 1.00 0.00 O ATOM 280 CB TYR A 19 8.285 3.302 -7.547 1.00 0.00 C ATOM 281 CG TYR A 19 8.569 3.320 -9.040 1.00 0.00 C ATOM 282 CD1 TYR A 19 7.538 3.288 -9.968 1.00 0.00 C ATOM 283 CD2 TYR A 19 9.878 3.350 -9.517 1.00 0.00 C ATOM 284 CE1 TYR A 19 7.799 3.281 -11.326 1.00 0.00 C ATOM 285 CE2 TYR A 19 10.147 3.348 -10.871 1.00 0.00 C ATOM 286 CZ TYR A 19 9.106 3.312 -11.771 1.00 0.00 C ATOM 287 OH TYR A 19 9.371 3.297 -13.127 1.00 0.00 O ATOM 0 H TYR A 19 8.097 2.800 -5.101 1.00 0.00 H new ATOM 0 HA TYR A 19 7.000 1.600 -7.360 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.437 3.954 -7.338 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.143 3.715 -7.016 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.514 3.268 -9.624 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.698 3.375 -8.814 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.985 3.251 -12.035 1.00 0.00 H new ATOM 0 HE2 TYR A 19 11.168 3.375 -11.222 1.00 0.00 H new ATOM 0 HH TYR A 19 10.340 3.324 -13.271 1.00 0.00 H new ATOM 297 N TRP A 20 10.157 0.873 -6.807 1.00 0.00 N ATOM 298 CA TRP A 20 11.231 -0.023 -7.150 1.00 0.00 C ATOM 299 C TRP A 20 10.928 -1.416 -6.619 1.00 0.00 C ATOM 300 O TRP A 20 10.948 -2.397 -7.363 1.00 0.00 O ATOM 301 CB TRP A 20 12.550 0.492 -6.584 1.00 0.00 C ATOM 302 CG TRP A 20 13.741 -0.254 -7.084 1.00 0.00 C ATOM 303 CD1 TRP A 20 14.532 -1.109 -6.377 1.00 0.00 C ATOM 304 CD2 TRP A 20 14.270 -0.220 -8.413 1.00 0.00 C ATOM 305 NE1 TRP A 20 15.527 -1.598 -7.181 1.00 0.00 N ATOM 306 CE2 TRP A 20 15.387 -1.070 -8.437 1.00 0.00 C ATOM 307 CE3 TRP A 20 13.906 0.453 -9.583 1.00 0.00 C ATOM 308 CZ2 TRP A 20 16.143 -1.268 -9.584 1.00 0.00 C ATOM 309 CZ3 TRP A 20 14.658 0.254 -10.722 1.00 0.00 C ATOM 310 CH2 TRP A 20 15.766 -0.598 -10.715 1.00 0.00 C ATOM 0 H TRP A 20 10.344 1.461 -5.995 1.00 0.00 H new ATOM 0 HA TRP A 20 11.322 -0.073 -8.235 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.658 1.547 -6.837 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.520 0.427 -5.496 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.395 -1.363 -5.336 1.00 0.00 H new ATOM 0 HE1 TRP A 20 16.255 -2.251 -6.891 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.053 1.115 -9.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.998 -1.927 -9.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.386 0.765 -11.634 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.337 -0.730 -11.622 1.00 0.00 H new ATOM 321 N LYS A 21 10.636 -1.497 -5.333 1.00 0.00 N ATOM 322 CA LYS A 21 10.292 -2.758 -4.710 1.00 0.00 C ATOM 323 C LYS A 21 8.962 -2.626 -3.995 1.00 0.00 C ATOM 324 O LYS A 21 8.901 -2.128 -2.870 1.00 0.00 O ATOM 325 CB LYS A 21 11.364 -3.184 -3.712 1.00 0.00 C ATOM 326 CG LYS A 21 11.144 -4.580 -3.141 1.00 0.00 C ATOM 327 CD LYS A 21 11.720 -4.708 -1.741 1.00 0.00 C ATOM 328 CE LYS A 21 13.202 -4.389 -1.703 1.00 0.00 C ATOM 329 NZ LYS A 21 13.714 -4.352 -0.312 1.00 0.00 N ATOM 0 H LYS A 21 10.631 -0.698 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 21 10.222 -3.518 -5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.338 -3.149 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.392 -2.466 -2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.077 -4.800 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.608 -5.319 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.188 -4.036 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.558 -5.722 -1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.751 -5.137 -2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.381 -3.427 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.754 -4.335 -0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.360 -3.499 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.388 -5.196 0.200 1.00 0.00 H new ATOM 343 N CYS A 22 7.897 -3.038 -4.651 1.00 0.00 N ATOM 344 CA CYS A 22 6.578 -2.956 -4.064 1.00 0.00 C ATOM 345 C CYS A 22 6.472 -3.912 -2.890 1.00 0.00 C ATOM 346 O CYS A 22 7.077 -4.993 -2.902 1.00 0.00 O ATOM 347 CB CYS A 22 5.498 -3.265 -5.112 1.00 0.00 C ATOM 348 SG CYS A 22 5.558 -4.969 -5.775 1.00 0.00 S ATOM 0 H CYS A 22 7.920 -3.433 -5.591 1.00 0.00 H new ATOM 0 HA CYS A 22 6.419 -1.940 -3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.518 -3.095 -4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.599 -2.562 -5.939 1.00 0.00 H new ATOM 353 N LEU A 23 5.726 -3.503 -1.872 1.00 0.00 N ATOM 354 CA LEU A 23 5.513 -4.301 -0.677 1.00 0.00 C ATOM 355 C LEU A 23 6.812 -4.467 0.113 1.00 0.00 C ATOM 356 O LEU A 23 7.009 -5.466 0.800 1.00 0.00 O ATOM 357 CB LEU A 23 4.915 -5.671 -1.032 1.00 0.00 C ATOM 358 CG LEU A 23 3.715 -6.099 -0.191 1.00 0.00 C ATOM 359 CD1 LEU A 23 4.075 -6.100 1.278 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.523 -5.187 -0.452 1.00 0.00 C ATOM 0 H LEU A 23 5.249 -2.601 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 23 4.800 -3.771 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.616 -5.658 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.695 -6.426 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 23 3.436 -7.113 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.209 -6.407 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.896 -6.796 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.380 -5.098 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.678 -5.509 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.786 -4.161 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.250 -5.237 -1.506 1.00 0.00 H new ATOM 372 N ASP A 24 7.669 -3.455 0.042 1.00 0.00 N ATOM 373 CA ASP A 24 8.958 -3.445 0.761 1.00 0.00 C ATOM 374 C ASP A 24 8.760 -3.588 2.281 1.00 0.00 C ATOM 375 O ASP A 24 9.684 -3.937 3.013 1.00 0.00 O ATOM 376 CB ASP A 24 9.712 -2.139 0.452 1.00 0.00 C ATOM 377 CG ASP A 24 11.034 -2.017 1.193 1.00 0.00 C ATOM 378 OD1 ASP A 24 12.055 -2.535 0.695 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.062 -1.387 2.280 1.00 0.00 O ATOM 0 H ASP A 24 7.500 -2.615 -0.512 1.00 0.00 H new ATOM 0 HA ASP A 24 9.542 -4.299 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.898 -2.080 -0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.078 -1.291 0.713 1.00 0.00 H new ATOM 384 N GLU A 25 7.544 -3.336 2.730 1.00 0.00 N ATOM 385 CA GLU A 25 7.201 -3.379 4.148 1.00 0.00 C ATOM 386 C GLU A 25 7.455 -4.757 4.765 1.00 0.00 C ATOM 387 O GLU A 25 8.279 -4.898 5.669 1.00 0.00 O ATOM 388 CB GLU A 25 5.732 -3.023 4.318 1.00 0.00 C ATOM 389 CG GLU A 25 5.307 -1.776 3.564 1.00 0.00 C ATOM 390 CD GLU A 25 5.889 -0.495 4.134 1.00 0.00 C ATOM 391 OE1 GLU A 25 5.108 0.457 4.349 1.00 0.00 O ATOM 392 OE2 GLU A 25 7.113 -0.432 4.376 1.00 0.00 O ATOM 0 H GLU A 25 6.761 -3.094 2.123 1.00 0.00 H new ATOM 0 HA GLU A 25 7.838 -2.661 4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.124 -3.863 3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.523 -2.883 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.610 -1.871 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.219 -1.708 3.575 1.00 0.00 H new ATOM 399 N ASN A 26 6.765 -5.770 4.260 1.00 0.00 N ATOM 400 CA ASN A 26 6.883 -7.117 4.810 1.00 0.00 C ATOM 401 C ASN A 26 7.100 -8.167 3.728 1.00 0.00 C ATOM 402 O ASN A 26 7.637 -9.239 4.003 1.00 0.00 O ATOM 403 CB ASN A 26 5.640 -7.470 5.627 1.00 0.00 C ATOM 404 CG ASN A 26 4.349 -7.164 4.893 1.00 0.00 C ATOM 405 OD1 ASN A 26 3.913 -7.925 4.035 1.00 0.00 O ATOM 406 ND2 ASN A 26 3.723 -6.057 5.238 1.00 0.00 N ATOM 0 H ASN A 26 6.120 -5.688 3.474 1.00 0.00 H new ATOM 0 HA ASN A 26 7.761 -7.120 5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.666 -8.530 5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.659 -6.917 6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.843 -5.807 4.787 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.118 -5.450 5.956 1.00 0.00 H new ATOM 413 N LEU A 27 6.678 -7.857 2.500 1.00 0.00 N ATOM 414 CA LEU A 27 6.822 -8.775 1.357 1.00 0.00 C ATOM 415 C LEU A 27 6.091 -10.102 1.600 1.00 0.00 C ATOM 416 O LEU A 27 6.511 -11.145 1.107 1.00 0.00 O ATOM 417 CB LEU A 27 8.312 -9.054 1.037 1.00 0.00 C ATOM 418 CG LEU A 27 9.164 -7.859 0.577 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.573 -6.987 1.755 1.00 0.00 C ATOM 420 CD2 LEU A 27 10.389 -8.345 -0.179 1.00 0.00 C ATOM 0 H LEU A 27 6.230 -6.971 2.266 1.00 0.00 H new ATOM 0 HA LEU A 27 6.366 -8.279 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.776 -9.478 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.354 -9.819 0.261 1.00 0.00 H new ATOM 0 HG LEU A 27 8.558 -7.249 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.174 -6.151 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.681 -6.606 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.157 -7.578 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.983 -7.489 -0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.990 -8.981 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.075 -8.915 -1.053 1.00 0.00 H new ATOM 432 N GLU A 28 4.998 -10.059 2.349 1.00 0.00 N ATOM 433 CA GLU A 28 4.232 -11.271 2.638 1.00 0.00 C ATOM 434 C GLU A 28 3.351 -11.664 1.458 1.00 0.00 C ATOM 435 O GLU A 28 3.286 -12.833 1.090 1.00 0.00 O ATOM 436 CB GLU A 28 3.392 -11.074 3.893 1.00 0.00 C ATOM 437 CG GLU A 28 4.218 -10.908 5.155 1.00 0.00 C ATOM 438 CD GLU A 28 4.721 -12.223 5.694 1.00 0.00 C ATOM 439 OE1 GLU A 28 4.188 -12.687 6.722 1.00 0.00 O ATOM 440 OE2 GLU A 28 5.639 -12.810 5.089 1.00 0.00 O ATOM 0 H GLU A 28 4.621 -9.208 2.766 1.00 0.00 H new ATOM 0 HA GLU A 28 4.936 -12.085 2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.760 -10.195 3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.727 -11.929 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.066 -10.256 4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.616 -10.413 5.917 1.00 0.00 H new ATOM 447 N ASP A 29 2.692 -10.687 0.861 1.00 0.00 N ATOM 448 CA ASP A 29 1.837 -10.939 -0.290 1.00 0.00 C ATOM 449 C ASP A 29 2.046 -9.866 -1.341 1.00 0.00 C ATOM 450 O ASP A 29 1.403 -8.822 -1.329 1.00 0.00 O ATOM 451 CB ASP A 29 0.366 -11.007 0.121 1.00 0.00 C ATOM 452 CG ASP A 29 -0.550 -11.382 -1.035 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.737 -12.591 -1.286 1.00 0.00 O ATOM 454 OD2 ASP A 29 -1.097 -10.477 -1.687 1.00 0.00 O ATOM 0 H ASP A 29 2.731 -9.710 1.153 1.00 0.00 H new ATOM 0 HA ASP A 29 2.111 -11.905 -0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.250 -11.737 0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.060 -10.041 0.523 1.00 0.00 H new ATOM 459 N ALA A 30 2.973 -10.111 -2.222 1.00 0.00 N ATOM 460 CA ALA A 30 3.295 -9.167 -3.271 1.00 0.00 C ATOM 461 C ALA A 30 2.166 -9.048 -4.298 1.00 0.00 C ATOM 462 O ALA A 30 2.137 -8.109 -5.083 1.00 0.00 O ATOM 463 CB ALA A 30 4.604 -9.540 -3.942 1.00 0.00 C ATOM 0 H ALA A 30 3.529 -10.966 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 30 3.411 -8.187 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.829 -8.819 -4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.406 -9.534 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.519 -10.536 -4.377 1.00 0.00 H new ATOM 469 N SER A 31 1.235 -9.991 -4.273 1.00 0.00 N ATOM 470 CA SER A 31 0.105 -9.973 -5.195 1.00 0.00 C ATOM 471 C SER A 31 -0.728 -8.699 -5.006 1.00 0.00 C ATOM 472 O SER A 31 -1.339 -8.190 -5.952 1.00 0.00 O ATOM 473 CB SER A 31 -0.770 -11.217 -4.989 1.00 0.00 C ATOM 474 OG SER A 31 -1.806 -11.295 -5.962 1.00 0.00 O ATOM 0 H SER A 31 1.239 -10.779 -3.625 1.00 0.00 H new ATOM 0 HA SER A 31 0.493 -9.982 -6.214 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.150 -12.112 -5.044 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.208 -11.193 -3.991 1.00 0.00 H new ATOM 0 HG SER A 31 -2.344 -12.099 -5.804 1.00 0.00 H new ATOM 480 N GLN A 32 -0.740 -8.182 -3.785 1.00 0.00 N ATOM 481 CA GLN A 32 -1.484 -6.973 -3.481 1.00 0.00 C ATOM 482 C GLN A 32 -0.630 -5.726 -3.644 1.00 0.00 C ATOM 483 O GLN A 32 -1.141 -4.610 -3.569 1.00 0.00 O ATOM 484 CB GLN A 32 -2.049 -7.026 -2.063 1.00 0.00 C ATOM 485 CG GLN A 32 -3.137 -8.060 -1.876 1.00 0.00 C ATOM 486 CD GLN A 32 -4.324 -7.814 -2.777 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.377 -8.313 -3.902 1.00 0.00 O ATOM 488 NE2 GLN A 32 -5.276 -7.036 -2.304 1.00 0.00 N ATOM 0 H GLN A 32 -0.242 -8.583 -2.990 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.306 -6.918 -4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.237 -7.237 -1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.445 -6.044 -1.803 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.731 -9.051 -2.077 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.465 -8.054 -0.837 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.194 -6.642 -1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.095 -6.827 -2.875 1.00 0.00 H new ATOM 497 N CYS A 33 0.663 -5.907 -3.896 1.00 0.00 N ATOM 498 CA CYS A 33 1.570 -4.768 -3.991 1.00 0.00 C ATOM 499 C CYS A 33 1.221 -3.890 -5.174 1.00 0.00 C ATOM 500 O CYS A 33 1.386 -2.687 -5.115 1.00 0.00 O ATOM 501 CB CYS A 33 3.033 -5.209 -4.079 1.00 0.00 C ATOM 502 SG CYS A 33 3.618 -5.587 -5.768 1.00 0.00 S ATOM 0 H CYS A 33 1.101 -6.817 -4.036 1.00 0.00 H new ATOM 0 HA CYS A 33 1.447 -4.190 -3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.661 -4.423 -3.659 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.170 -6.093 -3.456 1.00 0.00 H new ATOM 507 N LYS A 34 0.723 -4.499 -6.242 1.00 0.00 N ATOM 508 CA LYS A 34 0.344 -3.755 -7.435 1.00 0.00 C ATOM 509 C LYS A 34 -0.700 -2.688 -7.103 1.00 0.00 C ATOM 510 O LYS A 34 -0.551 -1.516 -7.468 1.00 0.00 O ATOM 511 CB LYS A 34 -0.180 -4.706 -8.525 1.00 0.00 C ATOM 512 CG LYS A 34 -1.272 -5.657 -8.048 1.00 0.00 C ATOM 513 CD LYS A 34 -1.835 -6.491 -9.188 1.00 0.00 C ATOM 514 CE LYS A 34 -2.594 -5.633 -10.187 1.00 0.00 C ATOM 515 NZ LYS A 34 -3.203 -6.447 -11.261 1.00 0.00 N ATOM 0 H LYS A 34 0.572 -5.506 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 34 1.233 -3.253 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.566 -4.113 -9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.653 -5.292 -8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.869 -6.317 -7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.076 -5.084 -7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.022 -7.009 -9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.499 -7.256 -8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.373 -5.075 -9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.916 -4.901 -10.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.711 -5.825 -11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.457 -6.960 -11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.869 -7.129 -10.845 1.00 0.00 H new ATOM 529 N LYS A 35 -1.738 -3.087 -6.382 1.00 0.00 N ATOM 530 CA LYS A 35 -2.788 -2.168 -6.027 1.00 0.00 C ATOM 531 C LYS A 35 -2.342 -1.232 -4.919 1.00 0.00 C ATOM 532 O LYS A 35 -2.539 -0.026 -5.016 1.00 0.00 O ATOM 533 CB LYS A 35 -4.057 -2.903 -5.603 1.00 0.00 C ATOM 534 CG LYS A 35 -5.231 -1.967 -5.361 1.00 0.00 C ATOM 535 CD LYS A 35 -5.746 -1.379 -6.668 1.00 0.00 C ATOM 536 CE LYS A 35 -6.597 -0.138 -6.434 1.00 0.00 C ATOM 537 NZ LYS A 35 -5.768 1.047 -6.062 1.00 0.00 N ATOM 0 H LYS A 35 -1.868 -4.038 -6.037 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.012 -1.580 -6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.327 -3.625 -6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.856 -3.469 -4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.034 -2.509 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.926 -1.162 -4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.902 -1.125 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.334 -2.129 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.166 0.087 -7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.319 -0.338 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.359 1.903 -6.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.378 0.912 -5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.988 1.153 -6.742 1.00 0.00 H new ATOM 551 N LEU A 36 -1.736 -1.792 -3.870 1.00 0.00 N ATOM 552 CA LEU A 36 -1.284 -0.995 -2.726 1.00 0.00 C ATOM 553 C LEU A 36 -0.304 0.090 -3.173 1.00 0.00 C ATOM 554 O LEU A 36 -0.464 1.260 -2.828 1.00 0.00 O ATOM 555 CB LEU A 36 -0.652 -1.891 -1.641 1.00 0.00 C ATOM 556 CG LEU A 36 -1.575 -2.955 -1.020 1.00 0.00 C ATOM 557 CD1 LEU A 36 -0.885 -3.654 0.135 1.00 0.00 C ATOM 558 CD2 LEU A 36 -2.880 -2.338 -0.565 1.00 0.00 C ATOM 0 H LEU A 36 -1.547 -2.791 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.157 -0.507 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.212 -2.396 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.280 -1.251 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.799 -3.697 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.554 -4.402 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.022 -4.141 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.626 -2.923 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.515 -3.110 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.679 -1.570 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.388 -1.889 -1.419 1.00 0.00 H new ATOM 570 N ARG A 37 0.692 -0.301 -3.971 1.00 0.00 N ATOM 571 CA ARG A 37 1.672 0.648 -4.492 1.00 0.00 C ATOM 572 C ARG A 37 0.966 1.743 -5.283 1.00 0.00 C ATOM 573 O ARG A 37 1.219 2.926 -5.089 1.00 0.00 O ATOM 574 CB ARG A 37 2.668 -0.063 -5.407 1.00 0.00 C ATOM 575 CG ARG A 37 3.991 0.656 -5.569 1.00 0.00 C ATOM 576 CD ARG A 37 4.742 0.162 -6.791 1.00 0.00 C ATOM 577 NE ARG A 37 4.340 0.883 -7.997 1.00 0.00 N ATOM 578 CZ ARG A 37 4.650 0.525 -9.241 1.00 0.00 C ATOM 579 NH1 ARG A 37 5.353 -0.583 -9.475 1.00 0.00 N ATOM 580 NH2 ARG A 37 4.258 1.288 -10.248 1.00 0.00 N ATOM 0 H ARG A 37 0.839 -1.266 -4.268 1.00 0.00 H new ATOM 0 HA ARG A 37 2.206 1.087 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.857 -1.061 -5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.214 -0.189 -6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.816 1.728 -5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.601 0.504 -4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.814 0.284 -6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.558 -0.904 -6.925 1.00 0.00 H new ATOM 0 HE ARG A 37 3.778 1.726 -7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.659 -1.167 -8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.585 -0.847 -10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.725 2.139 -10.066 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.489 1.026 -11.206 1.00 0.00 H new ATOM 594 N SER A 38 0.061 1.329 -6.167 1.00 0.00 N ATOM 595 CA SER A 38 -0.684 2.264 -7.004 1.00 0.00 C ATOM 596 C SER A 38 -1.557 3.215 -6.166 1.00 0.00 C ATOM 597 O SER A 38 -1.799 4.355 -6.569 1.00 0.00 O ATOM 598 CB SER A 38 -1.541 1.511 -8.022 1.00 0.00 C ATOM 599 OG SER A 38 -2.225 2.410 -8.890 1.00 0.00 O ATOM 0 H SER A 38 -0.174 0.349 -6.322 1.00 0.00 H new ATOM 0 HA SER A 38 0.045 2.873 -7.538 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.910 0.845 -8.610 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.265 0.886 -7.499 1.00 0.00 H new ATOM 0 HG SER A 38 -2.763 1.900 -9.531 1.00 0.00 H new ATOM 605 N SER A 39 -2.038 2.744 -5.023 1.00 0.00 N ATOM 606 CA SER A 39 -2.845 3.579 -4.146 1.00 0.00 C ATOM 607 C SER A 39 -1.966 4.654 -3.508 1.00 0.00 C ATOM 608 O SER A 39 -2.388 5.793 -3.322 1.00 0.00 O ATOM 609 CB SER A 39 -3.518 2.727 -3.066 1.00 0.00 C ATOM 610 OG SER A 39 -4.234 1.633 -3.639 1.00 0.00 O ATOM 0 H SER A 39 -1.884 1.794 -4.684 1.00 0.00 H new ATOM 0 HA SER A 39 -3.626 4.062 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.764 2.349 -2.376 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.201 3.346 -2.484 1.00 0.00 H new ATOM 0 HG SER A 39 -3.604 1.021 -4.073 1.00 0.00 H new ATOM 616 N PHE A 40 -0.736 4.280 -3.202 1.00 0.00 N ATOM 617 CA PHE A 40 0.232 5.185 -2.624 1.00 0.00 C ATOM 618 C PHE A 40 0.756 6.186 -3.657 1.00 0.00 C ATOM 619 O PHE A 40 1.003 7.347 -3.346 1.00 0.00 O ATOM 620 CB PHE A 40 1.376 4.385 -2.017 1.00 0.00 C ATOM 621 CG PHE A 40 1.120 3.962 -0.603 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.059 3.129 -0.293 1.00 0.00 C ATOM 623 CD2 PHE A 40 1.937 4.407 0.419 1.00 0.00 C ATOM 624 CE1 PHE A 40 -0.183 2.757 1.011 1.00 0.00 C ATOM 625 CE2 PHE A 40 1.700 4.033 1.724 1.00 0.00 C ATOM 626 CZ PHE A 40 0.639 3.210 2.019 1.00 0.00 C ATOM 0 H PHE A 40 -0.383 3.335 -3.350 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.260 5.762 -1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.554 3.499 -2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.286 4.984 -2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.585 2.767 -1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.771 5.055 0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.017 2.111 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.347 4.386 2.514 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.450 2.919 3.042 1.00 0.00 H new ATOM 636 N GLU A 41 0.904 5.734 -4.889 1.00 0.00 N ATOM 637 CA GLU A 41 1.392 6.589 -5.974 1.00 0.00 C ATOM 638 C GLU A 41 0.336 7.566 -6.434 1.00 0.00 C ATOM 639 O GLU A 41 0.581 8.387 -7.316 1.00 0.00 O ATOM 640 CB GLU A 41 1.830 5.762 -7.152 1.00 0.00 C ATOM 641 CG GLU A 41 2.929 4.807 -6.838 1.00 0.00 C ATOM 642 CD GLU A 41 3.581 4.273 -8.089 1.00 0.00 C ATOM 643 OE1 GLU A 41 4.541 4.903 -8.579 1.00 0.00 O ATOM 644 OE2 GLU A 41 3.115 3.240 -8.612 1.00 0.00 O ATOM 0 H GLU A 41 0.694 4.777 -5.171 1.00 0.00 H new ATOM 0 HA GLU A 41 2.241 7.146 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.974 5.205 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.156 6.428 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.678 5.304 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.533 3.978 -6.252 1.00 0.00 H new ATOM 651 N SER A 42 -0.833 7.448 -5.854 1.00 0.00 N ATOM 652 CA SER A 42 -1.972 8.286 -6.217 1.00 0.00 C ATOM 653 C SER A 42 -1.625 9.772 -6.079 1.00 0.00 C ATOM 654 O SER A 42 -1.917 10.570 -6.972 1.00 0.00 O ATOM 655 CB SER A 42 -3.196 7.939 -5.357 1.00 0.00 C ATOM 656 OG SER A 42 -4.390 8.482 -5.907 1.00 0.00 O ATOM 0 H SER A 42 -1.032 6.772 -5.117 1.00 0.00 H new ATOM 0 HA SER A 42 -2.215 8.089 -7.261 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.291 6.856 -5.277 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.053 8.322 -4.347 1.00 0.00 H new ATOM 0 HG SER A 42 -5.148 7.905 -5.677 1.00 0.00 H new ATOM 662 N SER A 43 -1.002 10.139 -4.964 1.00 0.00 N ATOM 663 CA SER A 43 -0.606 11.518 -4.752 1.00 0.00 C ATOM 664 C SER A 43 0.648 11.609 -3.865 1.00 0.00 C ATOM 665 O SER A 43 1.769 11.696 -4.373 1.00 0.00 O ATOM 666 CB SER A 43 -1.774 12.326 -4.153 1.00 0.00 C ATOM 667 OG SER A 43 -1.460 13.705 -4.060 1.00 0.00 O ATOM 0 H SER A 43 -0.764 9.504 -4.202 1.00 0.00 H new ATOM 0 HA SER A 43 -0.351 11.952 -5.719 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.662 12.195 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.015 11.939 -3.163 1.00 0.00 H new ATOM 0 HG SER A 43 -2.222 14.189 -3.678 1.00 0.00 H new ATOM 673 N CYS A 44 0.440 11.545 -2.542 1.00 0.00 N ATOM 674 CA CYS A 44 1.519 11.656 -1.542 1.00 0.00 C ATOM 675 C CYS A 44 0.933 11.761 -0.109 1.00 0.00 C ATOM 676 O CYS A 44 1.381 11.051 0.795 1.00 0.00 O ATOM 677 CB CYS A 44 2.449 12.859 -1.829 1.00 0.00 C ATOM 678 SG CYS A 44 3.709 13.188 -0.536 1.00 0.00 S ATOM 0 H CYS A 44 -0.484 11.414 -2.131 1.00 0.00 H new ATOM 0 HA CYS A 44 2.118 10.748 -1.613 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.959 12.687 -2.777 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.836 13.752 -1.954 1.00 0.00 H new ATOM 683 N PRO A 45 -0.073 12.672 0.131 1.00 0.00 N ATOM 684 CA PRO A 45 -0.728 12.794 1.442 1.00 0.00 C ATOM 685 C PRO A 45 -1.333 11.470 1.901 1.00 0.00 C ATOM 686 O PRO A 45 -2.092 10.833 1.166 1.00 0.00 O ATOM 687 CB PRO A 45 -1.837 13.840 1.215 1.00 0.00 C ATOM 688 CG PRO A 45 -1.965 13.960 -0.268 1.00 0.00 C ATOM 689 CD PRO A 45 -0.610 13.661 -0.822 1.00 0.00 C ATOM 0 HA PRO A 45 -0.021 13.081 2.220 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.777 13.522 1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.574 14.797 1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.707 13.261 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.291 14.961 -0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.667 13.258 -1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.013 14.554 -0.870 1.00 0.00 H new ATOM 697 N GLN A 46 -1.008 11.074 3.127 1.00 0.00 N ATOM 698 CA GLN A 46 -1.460 9.800 3.672 1.00 0.00 C ATOM 699 C GLN A 46 -2.956 9.746 3.826 1.00 0.00 C ATOM 700 O GLN A 46 -3.544 8.691 3.663 1.00 0.00 O ATOM 701 CB GLN A 46 -0.786 9.500 5.007 1.00 0.00 C ATOM 702 CG GLN A 46 -1.285 8.217 5.652 1.00 0.00 C ATOM 703 CD GLN A 46 -0.557 7.869 6.929 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.080 8.743 7.648 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.464 6.585 7.215 1.00 0.00 N ATOM 0 H GLN A 46 -0.430 11.621 3.765 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.171 9.035 2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.291 9.428 4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.957 10.333 5.689 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.350 8.315 5.864 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.175 7.396 4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.875 5.892 6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.019 6.285 8.062 1.00 0.00 H new ATOM 714 N GLN A 47 -3.569 10.868 4.137 1.00 0.00 N ATOM 715 CA GLN A 47 -5.009 10.894 4.291 1.00 0.00 C ATOM 716 C GLN A 47 -5.668 10.416 3.008 1.00 0.00 C ATOM 717 O GLN A 47 -6.413 9.453 3.018 1.00 0.00 O ATOM 718 CB GLN A 47 -5.497 12.290 4.674 1.00 0.00 C ATOM 719 CG GLN A 47 -4.795 12.869 5.899 1.00 0.00 C ATOM 720 CD GLN A 47 -4.685 11.878 7.048 1.00 0.00 C ATOM 721 OE1 GLN A 47 -3.702 11.148 7.160 1.00 0.00 O ATOM 722 NE2 GLN A 47 -5.687 11.842 7.901 1.00 0.00 N ATOM 0 H GLN A 47 -3.102 11.762 4.287 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.288 10.221 5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.348 12.962 3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.569 12.251 4.865 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.796 13.200 5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.338 13.751 6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.486 12.463 7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.664 11.193 8.687 1.00 0.00 H new ATOM 731 N TRP A 48 -5.338 11.072 1.904 1.00 0.00 N ATOM 732 CA TRP A 48 -5.844 10.693 0.586 1.00 0.00 C ATOM 733 C TRP A 48 -5.466 9.242 0.269 1.00 0.00 C ATOM 734 O TRP A 48 -6.326 8.413 -0.050 1.00 0.00 O ATOM 735 CB TRP A 48 -5.246 11.636 -0.476 1.00 0.00 C ATOM 736 CG TRP A 48 -5.592 11.287 -1.902 1.00 0.00 C ATOM 737 CD1 TRP A 48 -5.060 10.275 -2.654 1.00 0.00 C ATOM 738 CD2 TRP A 48 -6.524 11.965 -2.749 1.00 0.00 C ATOM 739 NE1 TRP A 48 -5.609 10.278 -3.908 1.00 0.00 N ATOM 740 CE2 TRP A 48 -6.512 11.306 -3.994 1.00 0.00 C ATOM 741 CE3 TRP A 48 -7.373 13.063 -2.576 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -7.313 11.708 -5.058 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -8.167 13.461 -3.636 1.00 0.00 C ATOM 744 CH2 TRP A 48 -8.133 12.785 -4.860 1.00 0.00 C ATOM 0 H TRP A 48 -4.715 11.879 1.893 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.931 10.777 0.580 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.587 12.651 -0.273 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.161 11.637 -0.370 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.314 9.575 -2.308 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.383 9.623 -4.656 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.408 13.589 -1.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.288 11.189 -6.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -8.825 14.309 -3.517 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -8.768 13.121 -5.667 1.00 0.00 H new ATOM 755 N ILE A 49 -4.175 8.951 0.379 1.00 0.00 N ATOM 756 CA ILE A 49 -3.639 7.631 0.081 1.00 0.00 C ATOM 757 C ILE A 49 -4.329 6.539 0.869 1.00 0.00 C ATOM 758 O ILE A 49 -4.891 5.624 0.290 1.00 0.00 O ATOM 759 CB ILE A 49 -2.118 7.583 0.336 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.385 8.327 -0.785 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.613 6.139 0.475 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.105 8.417 -0.592 1.00 0.00 C ATOM 0 H ILE A 49 -3.471 9.626 0.678 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.831 7.448 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.908 8.080 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.588 7.827 -1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.792 9.335 -0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.538 6.145 0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.117 5.656 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.825 5.589 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.548 8.958 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.320 8.945 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.527 7.413 -0.545 1.00 0.00 H new ATOM 774 N LYS A 50 -4.314 6.652 2.185 1.00 0.00 N ATOM 775 CA LYS A 50 -4.886 5.626 3.020 1.00 0.00 C ATOM 776 C LYS A 50 -6.387 5.513 2.840 1.00 0.00 C ATOM 777 O LYS A 50 -6.954 4.459 3.092 1.00 0.00 O ATOM 778 CB LYS A 50 -4.504 5.794 4.491 1.00 0.00 C ATOM 779 CG LYS A 50 -3.055 5.423 4.795 1.00 0.00 C ATOM 780 CD LYS A 50 -2.673 4.036 4.263 1.00 0.00 C ATOM 781 CE LYS A 50 -3.588 2.935 4.788 1.00 0.00 C ATOM 782 NZ LYS A 50 -3.113 1.595 4.373 1.00 0.00 N ATOM 0 H LYS A 50 -3.913 7.442 2.691 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.453 4.683 2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.674 6.830 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.163 5.177 5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.394 6.170 4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.896 5.450 5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.710 4.046 3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.644 3.813 4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.634 2.986 5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.601 3.094 4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.846 0.887 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.915 1.598 3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.245 1.358 4.894 1.00 0.00 H new ATOM 796 N TYR A 51 -7.033 6.589 2.398 1.00 0.00 N ATOM 797 CA TYR A 51 -8.481 6.523 2.125 1.00 0.00 C ATOM 798 C TYR A 51 -8.752 5.535 0.996 1.00 0.00 C ATOM 799 O TYR A 51 -9.584 4.634 1.124 1.00 0.00 O ATOM 800 CB TYR A 51 -9.068 7.895 1.736 1.00 0.00 C ATOM 801 CG TYR A 51 -9.256 8.881 2.876 1.00 0.00 C ATOM 802 CD1 TYR A 51 -9.348 8.460 4.200 1.00 0.00 C ATOM 803 CD2 TYR A 51 -9.350 10.243 2.616 1.00 0.00 C ATOM 804 CE1 TYR A 51 -9.524 9.370 5.225 1.00 0.00 C ATOM 805 CE2 TYR A 51 -9.525 11.156 3.635 1.00 0.00 C ATOM 806 CZ TYR A 51 -9.612 10.716 4.936 1.00 0.00 C ATOM 807 OH TYR A 51 -9.788 11.628 5.953 1.00 0.00 O ATOM 0 H TYR A 51 -6.600 7.496 2.223 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.964 6.196 3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.415 8.350 0.991 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.034 7.733 1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.281 7.407 4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.285 10.593 1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.592 9.029 6.247 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.593 12.211 3.413 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.829 12.532 5.578 1.00 0.00 H new ATOM 817 N PHE A 52 -8.043 5.712 -0.110 1.00 0.00 N ATOM 818 CA PHE A 52 -8.194 4.836 -1.269 1.00 0.00 C ATOM 819 C PHE A 52 -7.516 3.484 -1.052 1.00 0.00 C ATOM 820 O PHE A 52 -7.972 2.450 -1.564 1.00 0.00 O ATOM 821 CB PHE A 52 -7.635 5.509 -2.525 1.00 0.00 C ATOM 822 CG PHE A 52 -8.434 6.698 -2.974 1.00 0.00 C ATOM 823 CD1 PHE A 52 -8.203 7.952 -2.437 1.00 0.00 C ATOM 824 CD2 PHE A 52 -9.418 6.558 -3.935 1.00 0.00 C ATOM 825 CE1 PHE A 52 -8.940 9.043 -2.846 1.00 0.00 C ATOM 826 CE2 PHE A 52 -10.157 7.645 -4.351 1.00 0.00 C ATOM 827 CZ PHE A 52 -9.918 8.889 -3.805 1.00 0.00 C ATOM 0 H PHE A 52 -7.355 6.455 -0.232 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.260 4.655 -1.403 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.609 5.822 -2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.600 4.779 -3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.435 8.078 -1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.610 5.586 -4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.752 10.016 -2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.922 7.523 -5.103 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.497 9.742 -4.129 1.00 0.00 H new ATOM 837 N ASP A 53 -6.436 3.497 -0.299 1.00 0.00 N ATOM 838 CA ASP A 53 -5.648 2.296 -0.060 1.00 0.00 C ATOM 839 C ASP A 53 -6.337 1.328 0.888 1.00 0.00 C ATOM 840 O ASP A 53 -6.439 0.152 0.584 1.00 0.00 O ATOM 841 CB ASP A 53 -4.265 2.657 0.476 1.00 0.00 C ATOM 842 CG ASP A 53 -3.382 1.449 0.664 1.00 0.00 C ATOM 843 OD1 ASP A 53 -3.038 0.807 -0.345 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.015 1.158 1.825 1.00 0.00 O ATOM 0 H ASP A 53 -6.078 4.332 0.164 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.543 1.793 -1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.783 3.351 -0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.373 3.175 1.429 1.00 0.00 H new ATOM 849 N LYS A 54 -6.858 1.847 2.013 1.00 0.00 N ATOM 850 CA LYS A 54 -7.481 1.010 3.068 1.00 0.00 C ATOM 851 C LYS A 54 -8.536 0.050 2.502 1.00 0.00 C ATOM 852 O LYS A 54 -8.786 -1.017 3.062 1.00 0.00 O ATOM 853 CB LYS A 54 -8.102 1.893 4.158 1.00 0.00 C ATOM 854 CG LYS A 54 -8.468 1.147 5.436 1.00 0.00 C ATOM 855 CD LYS A 54 -9.017 2.097 6.494 1.00 0.00 C ATOM 856 CE LYS A 54 -9.282 1.377 7.813 1.00 0.00 C ATOM 857 NZ LYS A 54 -10.317 0.324 7.679 1.00 0.00 N ATOM 0 H LYS A 54 -6.863 2.846 2.221 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.687 0.403 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.402 2.691 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.998 2.367 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.210 0.380 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.588 0.635 5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.308 2.909 6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.941 2.549 6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.356 0.930 8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.599 2.102 8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.549 -0.056 8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.172 0.731 7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.957 -0.442 7.075 1.00 0.00 H new ATOM 871 N ARG A 55 -9.137 0.433 1.388 1.00 0.00 N ATOM 872 CA ARG A 55 -10.134 -0.392 0.722 1.00 0.00 C ATOM 873 C ARG A 55 -9.534 -1.743 0.294 1.00 0.00 C ATOM 874 O ARG A 55 -10.140 -2.792 0.486 1.00 0.00 O ATOM 875 CB ARG A 55 -10.678 0.344 -0.505 1.00 0.00 C ATOM 876 CG ARG A 55 -11.422 1.633 -0.186 1.00 0.00 C ATOM 877 CD ARG A 55 -12.801 1.356 0.390 1.00 0.00 C ATOM 878 NE ARG A 55 -13.644 0.622 -0.558 1.00 0.00 N ATOM 879 CZ ARG A 55 -14.927 0.894 -0.808 1.00 0.00 C ATOM 880 NH1 ARG A 55 -15.537 1.899 -0.187 1.00 0.00 N ATOM 881 NH2 ARG A 55 -15.589 0.164 -1.689 1.00 0.00 N ATOM 0 H ARG A 55 -8.950 1.320 0.921 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.946 -0.584 1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.848 0.574 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.348 -0.324 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.842 2.222 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.519 2.231 -1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.703 0.781 1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.282 2.298 0.652 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.219 -0.155 -1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.025 2.469 0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.517 2.100 -0.384 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.119 -0.601 -2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.569 0.366 -1.885 1.00 0.00 H new ATOM 895 N ARG A 56 -8.343 -1.696 -0.295 1.00 0.00 N ATOM 896 CA ARG A 56 -7.663 -2.905 -0.783 1.00 0.00 C ATOM 897 C ARG A 56 -6.477 -3.277 0.105 1.00 0.00 C ATOM 898 O ARG A 56 -5.795 -4.276 -0.144 1.00 0.00 O ATOM 899 CB ARG A 56 -7.189 -2.718 -2.234 1.00 0.00 C ATOM 900 CG ARG A 56 -8.275 -2.908 -3.295 1.00 0.00 C ATOM 901 CD ARG A 56 -9.389 -1.875 -3.187 1.00 0.00 C ATOM 902 NE ARG A 56 -8.891 -0.492 -3.281 1.00 0.00 N ATOM 903 CZ ARG A 56 -9.300 0.399 -4.194 1.00 0.00 C ATOM 904 NH1 ARG A 56 -10.146 0.037 -5.150 1.00 0.00 N ATOM 905 NH2 ARG A 56 -8.855 1.651 -4.150 1.00 0.00 N ATOM 0 H ARG A 56 -7.822 -0.833 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.387 -3.719 -0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.771 -1.717 -2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.381 -3.423 -2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.824 -2.848 -4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.701 -3.907 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.119 -2.049 -3.978 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.910 -2.006 -2.239 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.188 -0.193 -2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.488 -0.923 -5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.455 0.719 -5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.201 1.934 -3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.167 2.328 -4.846 1.00 0.00 H new ATOM 919 N ASP A 57 -6.241 -2.460 1.124 1.00 0.00 N ATOM 920 CA ASP A 57 -5.109 -2.622 2.045 1.00 0.00 C ATOM 921 C ASP A 57 -5.034 -4.022 2.607 1.00 0.00 C ATOM 922 O ASP A 57 -5.968 -4.504 3.267 1.00 0.00 O ATOM 923 CB ASP A 57 -5.195 -1.599 3.175 1.00 0.00 C ATOM 924 CG ASP A 57 -3.995 -1.618 4.111 1.00 0.00 C ATOM 925 OD1 ASP A 57 -3.938 -0.744 5.005 1.00 0.00 O ATOM 926 OD2 ASP A 57 -3.108 -2.492 3.960 1.00 0.00 O ATOM 0 H ASP A 57 -6.832 -1.657 1.341 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.196 -2.450 1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.293 -0.603 2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.099 -1.786 3.754 1.00 0.00 H new ATOM 931 N TYR A 58 -3.940 -4.681 2.308 1.00 0.00 N ATOM 932 CA TYR A 58 -3.700 -6.017 2.772 1.00 0.00 C ATOM 933 C TYR A 58 -2.461 -6.054 3.672 1.00 0.00 C ATOM 934 O TYR A 58 -2.543 -6.356 4.858 1.00 0.00 O ATOM 935 CB TYR A 58 -3.507 -6.917 1.558 1.00 0.00 C ATOM 936 CG TYR A 58 -3.570 -8.411 1.830 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.590 -9.187 1.297 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.607 -9.038 2.597 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.642 -10.550 1.525 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.650 -10.396 2.835 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.667 -11.150 2.295 1.00 0.00 C ATOM 942 OH TYR A 58 -3.707 -12.509 2.523 1.00 0.00 O ATOM 0 H TYR A 58 -3.190 -4.299 1.732 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.548 -6.366 3.360 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.269 -6.668 0.819 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.541 -6.688 1.109 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.355 -8.719 0.695 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.804 -8.453 3.019 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.441 -11.141 1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.890 -10.865 3.442 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.946 -12.769 3.083 1.00 0.00 H new ATOM 952 N LEU A 59 -1.315 -5.757 3.087 1.00 0.00 N ATOM 953 CA LEU A 59 -0.055 -5.794 3.812 1.00 0.00 C ATOM 954 C LEU A 59 0.209 -4.526 4.619 1.00 0.00 C ATOM 955 O LEU A 59 0.783 -4.586 5.697 1.00 0.00 O ATOM 956 CB LEU A 59 1.114 -6.059 2.867 1.00 0.00 C ATOM 957 CG LEU A 59 1.169 -7.442 2.184 1.00 0.00 C ATOM 958 CD1 LEU A 59 0.927 -8.561 3.182 1.00 0.00 C ATOM 959 CD2 LEU A 59 0.204 -7.525 1.013 1.00 0.00 C ATOM 0 H LEU A 59 -1.229 -5.486 2.107 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.142 -6.617 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.097 -5.298 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.039 -5.922 3.427 1.00 0.00 H new ATOM 0 HG LEU A 59 2.175 -7.569 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.972 -9.522 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.691 -8.528 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.056 -8.438 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.270 -8.513 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.813 -7.356 1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.462 -6.766 0.274 1.00 0.00 H new ATOM 971 N LYS A 60 -0.198 -3.386 4.086 1.00 0.00 N ATOM 972 CA LYS A 60 0.078 -2.095 4.712 1.00 0.00 C ATOM 973 C LYS A 60 -0.531 -1.996 6.125 1.00 0.00 C ATOM 974 O LYS A 60 0.092 -1.452 7.039 1.00 0.00 O ATOM 975 CB LYS A 60 -0.436 -0.961 3.813 1.00 0.00 C ATOM 976 CG LYS A 60 0.052 0.432 4.198 1.00 0.00 C ATOM 977 CD LYS A 60 1.566 0.571 4.047 1.00 0.00 C ATOM 978 CE LYS A 60 2.022 0.256 2.626 1.00 0.00 C ATOM 979 NZ LYS A 60 3.384 0.791 2.356 1.00 0.00 N ATOM 0 H LYS A 60 -0.725 -3.324 3.215 1.00 0.00 H new ATOM 0 HA LYS A 60 1.158 -2.000 4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.134 -1.165 2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.526 -0.967 3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.444 1.175 3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.230 0.643 5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.866 1.585 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.065 -0.100 4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.018 -0.823 2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.315 0.682 1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.838 0.225 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.313 1.781 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.955 0.741 3.224 1.00 0.00 H new ATOM 993 N PHE A 61 -1.736 -2.521 6.300 1.00 0.00 N ATOM 994 CA PHE A 61 -2.396 -2.478 7.603 1.00 0.00 C ATOM 995 C PHE A 61 -1.888 -3.583 8.530 1.00 0.00 C ATOM 996 O PHE A 61 -2.146 -3.558 9.738 1.00 0.00 O ATOM 997 CB PHE A 61 -3.938 -2.526 7.469 1.00 0.00 C ATOM 998 CG PHE A 61 -4.558 -3.906 7.401 1.00 0.00 C ATOM 999 CD1 PHE A 61 -5.075 -4.492 8.550 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -4.651 -4.606 6.201 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -5.666 -5.737 8.508 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -5.241 -5.856 6.164 1.00 0.00 C ATOM 1003 CZ PHE A 61 -5.747 -6.418 7.315 1.00 0.00 C ATOM 0 H PHE A 61 -2.275 -2.979 5.565 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.137 -1.522 8.057 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.373 -1.996 8.316 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.222 -1.978 6.571 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.013 -3.964 9.490 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.260 -4.170 5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.065 -6.177 9.410 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.305 -6.393 5.229 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.208 -7.394 7.281 1.00 0.00 H new