USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=11 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 Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.33) USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= -0.015 (180deg=-0.106) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 88:sc= 1.3 USER MOD Single : A 39 SER OG : rot -66:sc= 0.1 USER MOD Single : A 42 SER OG : rot 37:sc= 0.284 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0817 USER MOD Single : A 46 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.83) USER MOD Single : A 47 GLN : amide:sc= -2.49! C(o=-2.5!,f=-2.9!) USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= 1.36 (180deg=0.733) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -108:sc= 0.2 (180deg=-3.49!) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 6.260 11.147 5.791 1.00 0.00 N ATOM 118 CA ARG A 9 7.427 10.767 5.027 1.00 0.00 C ATOM 119 C ARG A 9 7.423 9.278 4.771 1.00 0.00 C ATOM 120 O ARG A 9 7.766 8.837 3.690 1.00 0.00 O ATOM 121 CB ARG A 9 8.727 11.206 5.711 1.00 0.00 C ATOM 122 CG ARG A 9 9.184 12.600 5.303 1.00 0.00 C ATOM 123 CD ARG A 9 8.206 13.668 5.755 1.00 0.00 C ATOM 124 NE ARG A 9 8.348 14.898 4.978 1.00 0.00 N ATOM 125 CZ ARG A 9 7.960 16.101 5.393 1.00 0.00 C ATOM 126 NH1 ARG A 9 7.514 16.269 6.638 1.00 0.00 N ATOM 127 NH2 ARG A 9 8.046 17.141 4.573 1.00 0.00 N ATOM 0 HA ARG A 9 7.382 11.286 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.587 11.179 6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.514 10.490 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.166 12.801 5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.295 12.644 4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.187 13.292 5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.367 13.885 6.811 1.00 0.00 H new ATOM 0 HE ARG A 9 8.774 14.829 4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.470 15.474 7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.217 17.193 6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.409 17.017 3.628 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.749 18.065 4.888 1.00 0.00 H new ATOM 141 N GLN A 10 6.999 8.510 5.767 1.00 0.00 N ATOM 142 CA GLN A 10 6.900 7.058 5.626 1.00 0.00 C ATOM 143 C GLN A 10 5.968 6.698 4.471 1.00 0.00 C ATOM 144 O GLN A 10 6.230 5.776 3.712 1.00 0.00 O ATOM 145 CB GLN A 10 6.398 6.429 6.942 1.00 0.00 C ATOM 146 CG GLN A 10 5.937 4.973 6.819 1.00 0.00 C ATOM 147 CD GLN A 10 7.012 4.044 6.276 1.00 0.00 C ATOM 148 OE1 GLN A 10 8.204 4.256 6.493 1.00 0.00 O ATOM 149 NE2 GLN A 10 6.590 3.019 5.559 1.00 0.00 N ATOM 0 H GLN A 10 6.718 8.865 6.681 1.00 0.00 H new ATOM 0 HA GLN A 10 7.890 6.659 5.406 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.196 6.482 7.682 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.570 7.027 7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.619 4.616 7.799 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.065 4.929 6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.591 2.882 5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.263 2.364 5.160 1.00 0.00 H new ATOM 158 N VAL A 11 4.903 7.457 4.333 1.00 0.00 N ATOM 159 CA VAL A 11 3.920 7.202 3.301 1.00 0.00 C ATOM 160 C VAL A 11 4.388 7.699 1.937 1.00 0.00 C ATOM 161 O VAL A 11 4.437 6.935 0.979 1.00 0.00 O ATOM 162 CB VAL A 11 2.572 7.858 3.650 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.547 7.614 2.553 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.068 7.337 4.986 1.00 0.00 C ATOM 0 H VAL A 11 4.694 8.260 4.926 1.00 0.00 H new ATOM 0 HA VAL A 11 3.792 6.121 3.248 1.00 0.00 H new ATOM 0 HB VAL A 11 2.722 8.935 3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.604 8.088 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.909 8.037 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.393 6.542 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.114 7.807 5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.936 6.257 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.793 7.573 5.765 1.00 0.00 H new ATOM 174 N CYS A 12 4.747 8.967 1.858 1.00 0.00 N ATOM 175 CA CYS A 12 5.146 9.558 0.591 1.00 0.00 C ATOM 176 C CYS A 12 6.468 8.967 0.084 1.00 0.00 C ATOM 177 O CYS A 12 6.580 8.579 -1.087 1.00 0.00 O ATOM 178 CB CYS A 12 5.241 11.076 0.714 1.00 0.00 C ATOM 179 SG CYS A 12 5.309 11.950 -0.881 1.00 0.00 S ATOM 0 H CYS A 12 4.771 9.607 2.652 1.00 0.00 H new ATOM 0 HA CYS A 12 4.378 9.318 -0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.381 11.438 1.278 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.130 11.328 1.292 1.00 0.00 H new ATOM 184 N TRP A 13 7.471 8.892 0.954 1.00 0.00 N ATOM 185 CA TRP A 13 8.752 8.324 0.567 1.00 0.00 C ATOM 186 C TRP A 13 8.622 6.821 0.410 1.00 0.00 C ATOM 187 O TRP A 13 9.304 6.208 -0.415 1.00 0.00 O ATOM 188 CB TRP A 13 9.848 8.670 1.568 1.00 0.00 C ATOM 189 CG TRP A 13 11.225 8.458 1.024 1.00 0.00 C ATOM 190 CD1 TRP A 13 12.068 7.426 1.305 1.00 0.00 C ATOM 191 CD2 TRP A 13 11.913 9.298 0.090 1.00 0.00 C ATOM 192 NE1 TRP A 13 13.240 7.577 0.607 1.00 0.00 N ATOM 193 CE2 TRP A 13 13.168 8.717 -0.149 1.00 0.00 C ATOM 194 CE3 TRP A 13 11.587 10.488 -0.569 1.00 0.00 C ATOM 195 CZ2 TRP A 13 14.098 9.279 -1.014 1.00 0.00 C ATOM 196 CZ3 TRP A 13 12.511 11.047 -1.429 1.00 0.00 C ATOM 197 CH2 TRP A 13 13.753 10.442 -1.644 1.00 0.00 C ATOM 0 H TRP A 13 7.420 9.214 1.920 1.00 0.00 H new ATOM 0 HA TRP A 13 9.041 8.760 -0.389 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.740 9.711 1.871 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.720 8.062 2.464 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.847 6.610 1.977 1.00 0.00 H new ATOM 0 HE1 TRP A 13 14.037 6.942 0.645 1.00 0.00 H new ATOM 0 HE3 TRP A 13 10.630 10.961 -0.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 15.058 8.814 -1.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 12.271 11.966 -1.944 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.455 10.904 -2.323 1.00 0.00 H new ATOM 208 N GLY A 14 7.737 6.228 1.209 1.00 0.00 N ATOM 209 CA GLY A 14 7.467 4.817 1.083 1.00 0.00 C ATOM 210 C GLY A 14 6.927 4.506 -0.285 1.00 0.00 C ATOM 211 O GLY A 14 7.364 3.569 -0.927 1.00 0.00 O ATOM 0 H GLY A 14 7.206 6.704 1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.380 4.249 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.749 4.509 1.843 1.00 0.00 H new ATOM 215 N ALA A 15 5.993 5.337 -0.745 1.00 0.00 N ATOM 216 CA ALA A 15 5.419 5.202 -2.074 1.00 0.00 C ATOM 217 C ALA A 15 6.509 5.321 -3.136 1.00 0.00 C ATOM 218 O ALA A 15 6.452 4.679 -4.188 1.00 0.00 O ATOM 219 CB ALA A 15 4.362 6.273 -2.297 1.00 0.00 C ATOM 0 H ALA A 15 5.617 6.118 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 15 4.954 4.219 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.938 6.164 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.572 6.165 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.817 7.259 -2.202 1.00 0.00 H new ATOM 225 N ARG A 16 7.496 6.156 -2.847 1.00 0.00 N ATOM 226 CA ARG A 16 8.618 6.373 -3.730 1.00 0.00 C ATOM 227 C ARG A 16 9.446 5.093 -3.869 1.00 0.00 C ATOM 228 O ARG A 16 9.738 4.659 -4.979 1.00 0.00 O ATOM 229 CB ARG A 16 9.481 7.527 -3.195 1.00 0.00 C ATOM 230 CG ARG A 16 10.633 7.948 -4.101 1.00 0.00 C ATOM 231 CD ARG A 16 10.141 8.372 -5.476 1.00 0.00 C ATOM 232 NE ARG A 16 9.938 7.227 -6.359 1.00 0.00 N ATOM 233 CZ ARG A 16 9.349 7.283 -7.551 1.00 0.00 C ATOM 234 NH1 ARG A 16 8.709 8.384 -7.937 1.00 0.00 N ATOM 235 NH2 ARG A 16 9.363 6.223 -8.337 1.00 0.00 N ATOM 0 H ARG A 16 7.535 6.702 -1.987 1.00 0.00 H new ATOM 0 HA ARG A 16 8.247 6.641 -4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.839 8.391 -3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.888 7.237 -2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.177 8.772 -3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.335 7.121 -4.205 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.205 8.921 -5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.863 9.054 -5.926 1.00 0.00 H new ATOM 0 HE ARG A 16 10.272 6.318 -6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.667 9.193 -7.318 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.260 8.419 -8.852 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.824 5.366 -8.030 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.913 6.260 -9.252 1.00 0.00 H new ATOM 249 N ASP A 17 9.802 4.488 -2.745 1.00 0.00 N ATOM 250 CA ASP A 17 10.592 3.252 -2.763 1.00 0.00 C ATOM 251 C ASP A 17 9.756 2.066 -3.228 1.00 0.00 C ATOM 252 O ASP A 17 10.255 1.180 -3.937 1.00 0.00 O ATOM 253 CB ASP A 17 11.208 2.954 -1.389 1.00 0.00 C ATOM 254 CG ASP A 17 12.409 3.825 -1.069 1.00 0.00 C ATOM 255 OD1 ASP A 17 13.147 4.211 -2.007 1.00 0.00 O ATOM 256 OD2 ASP A 17 12.651 4.098 0.127 1.00 0.00 O ATOM 0 H ASP A 17 9.562 4.825 -1.813 1.00 0.00 H new ATOM 0 HA ASP A 17 11.403 3.406 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.449 3.096 -0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.507 1.907 -1.352 1.00 0.00 H new ATOM 261 N GLU A 18 8.485 2.056 -2.841 1.00 0.00 N ATOM 262 CA GLU A 18 7.566 0.985 -3.214 1.00 0.00 C ATOM 263 C GLU A 18 7.242 1.005 -4.701 1.00 0.00 C ATOM 264 O GLU A 18 6.813 0.000 -5.261 1.00 0.00 O ATOM 265 CB GLU A 18 6.288 1.023 -2.364 1.00 0.00 C ATOM 266 CG GLU A 18 6.498 0.518 -0.939 1.00 0.00 C ATOM 267 CD GLU A 18 5.252 0.603 -0.077 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.445 -0.356 -0.082 1.00 0.00 O ATOM 269 OE2 GLU A 18 5.083 1.612 0.629 1.00 0.00 O ATOM 0 H GLU A 18 8.064 2.784 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 18 8.074 0.043 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.913 2.046 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.520 0.419 -2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.835 -0.518 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.294 1.096 -0.471 1.00 0.00 H new ATOM 276 N TYR A 19 7.437 2.146 -5.345 1.00 0.00 N ATOM 277 CA TYR A 19 7.238 2.226 -6.781 1.00 0.00 C ATOM 278 C TYR A 19 8.265 1.332 -7.478 1.00 0.00 C ATOM 279 O TYR A 19 7.981 0.708 -8.499 1.00 0.00 O ATOM 280 CB TYR A 19 7.362 3.669 -7.275 1.00 0.00 C ATOM 281 CG TYR A 19 6.930 3.857 -8.714 1.00 0.00 C ATOM 282 CD1 TYR A 19 5.597 4.064 -9.030 1.00 0.00 C ATOM 283 CD2 TYR A 19 7.853 3.819 -9.753 1.00 0.00 C ATOM 284 CE1 TYR A 19 5.193 4.228 -10.338 1.00 0.00 C ATOM 285 CE2 TYR A 19 7.455 3.985 -11.063 1.00 0.00 C ATOM 286 CZ TYR A 19 6.124 4.188 -11.352 1.00 0.00 C ATOM 287 OH TYR A 19 5.723 4.348 -12.663 1.00 0.00 O ATOM 0 H TYR A 19 7.729 3.017 -4.902 1.00 0.00 H new ATOM 0 HA TYR A 19 6.231 1.883 -7.019 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.760 4.316 -6.636 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.398 3.992 -7.170 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.862 4.097 -8.239 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.897 3.657 -9.531 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.150 4.387 -10.567 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.184 3.956 -11.859 1.00 0.00 H new ATOM 0 HH TYR A 19 6.504 4.294 -13.253 1.00 0.00 H new ATOM 297 N TRP A 20 9.455 1.274 -6.896 1.00 0.00 N ATOM 298 CA TRP A 20 10.525 0.424 -7.390 1.00 0.00 C ATOM 299 C TRP A 20 10.291 -1.007 -6.899 1.00 0.00 C ATOM 300 O TRP A 20 10.249 -1.955 -7.685 1.00 0.00 O ATOM 301 CB TRP A 20 11.877 0.951 -6.872 1.00 0.00 C ATOM 302 CG TRP A 20 13.097 0.333 -7.512 1.00 0.00 C ATOM 303 CD1 TRP A 20 13.316 -0.989 -7.785 1.00 0.00 C ATOM 304 CD2 TRP A 20 14.279 1.026 -7.932 1.00 0.00 C ATOM 305 NE1 TRP A 20 14.551 -1.155 -8.358 1.00 0.00 N ATOM 306 CE2 TRP A 20 15.162 0.065 -8.458 1.00 0.00 C ATOM 307 CE3 TRP A 20 14.671 2.366 -7.918 1.00 0.00 C ATOM 308 CZ2 TRP A 20 16.415 0.404 -8.962 1.00 0.00 C ATOM 309 CZ3 TRP A 20 15.914 2.698 -8.419 1.00 0.00 C ATOM 310 CH2 TRP A 20 16.772 1.722 -8.935 1.00 0.00 C ATOM 0 H TRP A 20 9.704 1.816 -6.068 1.00 0.00 H new ATOM 0 HA TRP A 20 10.538 0.432 -8.480 1.00 0.00 H new ATOM 0 HB2 TRP A 20 11.912 2.029 -7.028 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.926 0.782 -5.796 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.618 -1.787 -7.579 1.00 0.00 H new ATOM 0 HE1 TRP A 20 14.949 -2.044 -8.661 1.00 0.00 H new ATOM 0 HE3 TRP A 20 14.015 3.128 -7.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.080 -0.348 -9.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.229 3.731 -8.412 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.737 2.016 -9.320 1.00 0.00 H new ATOM 321 N LYS A 21 10.133 -1.146 -5.592 1.00 0.00 N ATOM 322 CA LYS A 21 9.889 -2.436 -4.962 1.00 0.00 C ATOM 323 C LYS A 21 8.648 -2.342 -4.091 1.00 0.00 C ATOM 324 O LYS A 21 8.695 -1.816 -2.979 1.00 0.00 O ATOM 325 CB LYS A 21 11.103 -2.852 -4.130 1.00 0.00 C ATOM 326 CG LYS A 21 12.379 -2.983 -4.940 1.00 0.00 C ATOM 327 CD LYS A 21 13.591 -3.179 -4.050 1.00 0.00 C ATOM 328 CE LYS A 21 14.858 -3.296 -4.876 1.00 0.00 C ATOM 329 NZ LYS A 21 16.073 -3.369 -4.029 1.00 0.00 N ATOM 0 H LYS A 21 10.170 -0.366 -4.936 1.00 0.00 H new ATOM 0 HA LYS A 21 9.727 -3.193 -5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.259 -2.119 -3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.891 -3.805 -3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.290 -3.826 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.516 -2.090 -5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.679 -2.340 -3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.462 -4.077 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.800 -4.186 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.934 -2.439 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.914 -3.448 -4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.144 -2.509 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.014 -4.201 -3.408 1.00 0.00 H new ATOM 343 N CYS A 22 7.541 -2.837 -4.611 1.00 0.00 N ATOM 344 CA CYS A 22 6.246 -2.710 -3.956 1.00 0.00 C ATOM 345 C CYS A 22 6.159 -3.461 -2.626 1.00 0.00 C ATOM 346 O CYS A 22 6.730 -4.540 -2.462 1.00 0.00 O ATOM 347 CB CYS A 22 5.140 -3.173 -4.908 1.00 0.00 C ATOM 348 SG CYS A 22 5.445 -4.815 -5.669 1.00 0.00 S ATOM 0 H CYS A 22 7.510 -3.339 -5.499 1.00 0.00 H new ATOM 0 HA CYS A 22 6.115 -1.655 -3.714 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.197 -3.207 -4.363 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.024 -2.433 -5.700 1.00 0.00 H new ATOM 353 N LEU A 23 5.423 -2.856 -1.683 1.00 0.00 N ATOM 354 CA LEU A 23 5.166 -3.423 -0.362 1.00 0.00 C ATOM 355 C LEU A 23 6.425 -3.774 0.391 1.00 0.00 C ATOM 356 O LEU A 23 6.566 -4.882 0.913 1.00 0.00 O ATOM 357 CB LEU A 23 4.225 -4.610 -0.443 1.00 0.00 C ATOM 358 CG LEU A 23 2.802 -4.269 -0.857 1.00 0.00 C ATOM 359 CD1 LEU A 23 1.951 -5.512 -0.865 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.211 -3.214 0.069 1.00 0.00 C ATOM 0 H LEU A 23 4.985 -1.946 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 23 4.677 -2.637 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.632 -5.331 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.198 -5.101 0.530 1.00 0.00 H new ATOM 0 HG LEU A 23 2.822 -3.858 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.934 -5.255 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.365 -6.232 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.937 -5.950 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.193 -2.984 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.199 -3.592 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.817 -2.309 0.024 1.00 0.00 H new ATOM 372 N ASP A 24 7.308 -2.799 0.482 1.00 0.00 N ATOM 373 CA ASP A 24 8.562 -2.920 1.219 1.00 0.00 C ATOM 374 C ASP A 24 8.290 -3.151 2.714 1.00 0.00 C ATOM 375 O ASP A 24 9.166 -3.570 3.467 1.00 0.00 O ATOM 376 CB ASP A 24 9.388 -1.640 1.026 1.00 0.00 C ATOM 377 CG ASP A 24 10.720 -1.682 1.737 1.00 0.00 C ATOM 378 OD1 ASP A 24 11.691 -2.211 1.153 1.00 0.00 O ATOM 379 OD2 ASP A 24 10.807 -1.183 2.876 1.00 0.00 O ATOM 0 H ASP A 24 7.178 -1.888 0.043 1.00 0.00 H new ATOM 0 HA ASP A 24 9.119 -3.776 0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.556 -1.480 -0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.815 -0.787 1.390 1.00 0.00 H new ATOM 384 N GLU A 25 7.059 -2.874 3.109 1.00 0.00 N ATOM 385 CA GLU A 25 6.610 -2.978 4.495 1.00 0.00 C ATOM 386 C GLU A 25 6.847 -4.374 5.080 1.00 0.00 C ATOM 387 O GLU A 25 7.568 -4.529 6.061 1.00 0.00 O ATOM 388 CB GLU A 25 5.114 -2.670 4.569 1.00 0.00 C ATOM 389 CG GLU A 25 4.667 -1.487 3.718 1.00 0.00 C ATOM 390 CD GLU A 25 5.294 -0.175 4.135 1.00 0.00 C ATOM 391 OE1 GLU A 25 6.516 -0.036 4.031 1.00 0.00 O ATOM 392 OE2 GLU A 25 4.548 0.731 4.540 1.00 0.00 O ATOM 0 H GLU A 25 6.328 -2.565 2.468 1.00 0.00 H new ATOM 0 HA GLU A 25 7.189 -2.261 5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.558 -3.555 4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.848 -2.475 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.916 -1.685 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.582 -1.397 3.775 1.00 0.00 H new ATOM 399 N ASN A 26 6.233 -5.391 4.471 1.00 0.00 N ATOM 400 CA ASN A 26 6.338 -6.760 4.994 1.00 0.00 C ATOM 401 C ASN A 26 6.668 -7.771 3.898 1.00 0.00 C ATOM 402 O ASN A 26 7.238 -8.822 4.176 1.00 0.00 O ATOM 403 CB ASN A 26 5.033 -7.174 5.697 1.00 0.00 C ATOM 404 CG ASN A 26 4.685 -6.282 6.876 1.00 0.00 C ATOM 405 OD1 ASN A 26 5.125 -6.517 7.995 1.00 0.00 O ATOM 406 ND2 ASN A 26 3.877 -5.265 6.632 1.00 0.00 N ATOM 0 H ASN A 26 5.666 -5.298 3.628 1.00 0.00 H new ATOM 0 HA ASN A 26 7.157 -6.761 5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.215 -7.150 4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.124 -8.204 6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.598 -4.642 7.390 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.532 -5.103 5.686 1.00 0.00 H new ATOM 413 N LEU A 27 6.304 -7.446 2.651 1.00 0.00 N ATOM 414 CA LEU A 27 6.559 -8.321 1.486 1.00 0.00 C ATOM 415 C LEU A 27 5.954 -9.728 1.658 1.00 0.00 C ATOM 416 O LEU A 27 6.433 -10.686 1.057 1.00 0.00 O ATOM 417 CB LEU A 27 8.074 -8.459 1.198 1.00 0.00 C ATOM 418 CG LEU A 27 8.831 -7.176 0.845 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.186 -6.397 2.095 1.00 0.00 C ATOM 420 CD2 LEU A 27 10.079 -7.496 0.042 1.00 0.00 C ATOM 0 H LEU A 27 5.827 -6.576 2.416 1.00 0.00 H new ATOM 0 HA LEU A 27 6.070 -7.835 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.547 -8.902 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.200 -9.165 0.377 1.00 0.00 H new ATOM 0 HG LEU A 27 8.178 -6.554 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.723 -5.490 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.274 -6.130 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.817 -7.010 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.603 -6.571 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.733 -8.142 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.798 -8.005 -0.880 1.00 0.00 H new ATOM 432 N GLU A 28 4.903 -9.852 2.464 1.00 0.00 N ATOM 433 CA GLU A 28 4.284 -11.162 2.683 1.00 0.00 C ATOM 434 C GLU A 28 3.427 -11.587 1.493 1.00 0.00 C ATOM 435 O GLU A 28 3.445 -12.749 1.095 1.00 0.00 O ATOM 436 CB GLU A 28 3.453 -11.183 3.963 1.00 0.00 C ATOM 437 CG GLU A 28 4.259 -10.990 5.229 1.00 0.00 C ATOM 438 CD GLU A 28 3.411 -11.137 6.470 1.00 0.00 C ATOM 439 OE1 GLU A 28 2.658 -10.211 6.785 1.00 0.00 O ATOM 440 OE2 GLU A 28 3.489 -12.195 7.130 1.00 0.00 O ATOM 0 H GLU A 28 4.467 -9.080 2.969 1.00 0.00 H new ATOM 0 HA GLU A 28 5.098 -11.879 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.696 -10.401 3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.924 -12.134 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.070 -11.718 5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.718 -10.001 5.219 1.00 0.00 H new ATOM 447 N ASP A 29 2.679 -10.653 0.932 1.00 0.00 N ATOM 448 CA ASP A 29 1.819 -10.957 -0.206 1.00 0.00 C ATOM 449 C ASP A 29 2.016 -9.927 -1.300 1.00 0.00 C ATOM 450 O ASP A 29 1.320 -8.917 -1.362 1.00 0.00 O ATOM 451 CB ASP A 29 0.345 -11.024 0.219 1.00 0.00 C ATOM 452 CG ASP A 29 -0.557 -11.575 -0.874 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.721 -12.814 -0.940 1.00 0.00 O ATOM 454 OD2 ASP A 29 -1.114 -10.783 -1.654 1.00 0.00 O ATOM 0 H ASP A 29 2.647 -9.682 1.241 1.00 0.00 H new ATOM 0 HA ASP A 29 2.098 -11.936 -0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.255 -11.649 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.005 -10.026 0.496 1.00 0.00 H new ATOM 459 N ALA A 30 2.995 -10.168 -2.136 1.00 0.00 N ATOM 460 CA ALA A 30 3.318 -9.259 -3.220 1.00 0.00 C ATOM 461 C ALA A 30 2.232 -9.251 -4.295 1.00 0.00 C ATOM 462 O ALA A 30 2.216 -8.380 -5.161 1.00 0.00 O ATOM 463 CB ALA A 30 4.670 -9.601 -3.819 1.00 0.00 C ATOM 0 H ALA A 30 3.591 -10.994 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 30 3.369 -8.253 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.894 -8.908 -4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.439 -9.521 -3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.649 -10.619 -4.207 1.00 0.00 H new ATOM 469 N SER A 31 1.329 -10.215 -4.230 1.00 0.00 N ATOM 470 CA SER A 31 0.236 -10.315 -5.181 1.00 0.00 C ATOM 471 C SER A 31 -0.647 -9.060 -5.135 1.00 0.00 C ATOM 472 O SER A 31 -1.171 -8.615 -6.157 1.00 0.00 O ATOM 473 CB SER A 31 -0.599 -11.567 -4.888 1.00 0.00 C ATOM 474 OG SER A 31 -1.627 -11.743 -5.849 1.00 0.00 O ATOM 0 H SER A 31 1.333 -10.947 -3.520 1.00 0.00 H new ATOM 0 HA SER A 31 0.656 -10.395 -6.184 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.048 -12.444 -4.881 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.039 -11.488 -3.894 1.00 0.00 H new ATOM 0 HG SER A 31 -2.140 -12.550 -5.635 1.00 0.00 H new ATOM 480 N GLN A 32 -0.791 -8.491 -3.951 1.00 0.00 N ATOM 481 CA GLN A 32 -1.600 -7.293 -3.772 1.00 0.00 C ATOM 482 C GLN A 32 -0.752 -6.029 -3.831 1.00 0.00 C ATOM 483 O GLN A 32 -1.271 -4.921 -3.657 1.00 0.00 O ATOM 484 CB GLN A 32 -2.354 -7.347 -2.440 1.00 0.00 C ATOM 485 CG GLN A 32 -3.372 -8.468 -2.358 1.00 0.00 C ATOM 486 CD GLN A 32 -4.419 -8.375 -3.444 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.251 -8.918 -4.531 1.00 0.00 O ATOM 488 NE2 GLN A 32 -5.504 -7.687 -3.161 1.00 0.00 N ATOM 0 H GLN A 32 -0.358 -8.839 -3.096 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.318 -7.261 -4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.634 -7.463 -1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.862 -6.395 -2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.859 -9.427 -2.432 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.860 -8.442 -1.384 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.606 -7.250 -2.245 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.243 -7.591 -3.858 1.00 0.00 H new ATOM 497 N CYS A 33 0.542 -6.179 -4.091 1.00 0.00 N ATOM 498 CA CYS A 33 1.443 -5.034 -4.074 1.00 0.00 C ATOM 499 C CYS A 33 1.147 -4.063 -5.190 1.00 0.00 C ATOM 500 O CYS A 33 1.279 -2.862 -5.009 1.00 0.00 O ATOM 501 CB CYS A 33 2.911 -5.456 -4.122 1.00 0.00 C ATOM 502 SG CYS A 33 3.605 -5.670 -5.798 1.00 0.00 S ATOM 0 H CYS A 33 0.986 -7.070 -4.313 1.00 0.00 H new ATOM 0 HA CYS A 33 1.266 -4.527 -3.125 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.504 -4.710 -3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.021 -6.394 -3.578 1.00 0.00 H new ATOM 507 N LYS A 34 0.744 -4.579 -6.338 1.00 0.00 N ATOM 508 CA LYS A 34 0.447 -3.734 -7.474 1.00 0.00 C ATOM 509 C LYS A 34 -0.681 -2.776 -7.141 1.00 0.00 C ATOM 510 O LYS A 34 -0.577 -1.578 -7.379 1.00 0.00 O ATOM 511 CB LYS A 34 0.080 -4.576 -8.688 1.00 0.00 C ATOM 512 CG LYS A 34 -0.086 -3.780 -9.970 1.00 0.00 C ATOM 513 CD LYS A 34 1.199 -3.051 -10.355 1.00 0.00 C ATOM 514 CE LYS A 34 2.375 -4.013 -10.501 1.00 0.00 C ATOM 515 NZ LYS A 34 2.104 -5.086 -11.487 1.00 0.00 N ATOM 0 H LYS A 34 0.616 -5.577 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 34 1.339 -3.155 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.852 -5.331 -8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.849 -5.107 -8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.380 -4.450 -10.778 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.892 -3.056 -9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.047 -2.518 -11.293 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.433 -2.303 -9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.261 -3.457 -10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.598 -4.460 -9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.969 -5.643 -11.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.352 -5.707 -11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.801 -4.662 -12.387 1.00 0.00 H new ATOM 529 N LYS A 35 -1.743 -3.309 -6.563 1.00 0.00 N ATOM 530 CA LYS A 35 -2.895 -2.500 -6.209 1.00 0.00 C ATOM 531 C LYS A 35 -2.556 -1.512 -5.093 1.00 0.00 C ATOM 532 O LYS A 35 -2.878 -0.329 -5.189 1.00 0.00 O ATOM 533 CB LYS A 35 -4.089 -3.381 -5.802 1.00 0.00 C ATOM 534 CG LYS A 35 -4.839 -4.032 -6.974 1.00 0.00 C ATOM 535 CD LYS A 35 -3.998 -5.076 -7.702 1.00 0.00 C ATOM 536 CE LYS A 35 -4.778 -5.714 -8.847 1.00 0.00 C ATOM 537 NZ LYS A 35 -3.998 -6.776 -9.535 1.00 0.00 N ATOM 0 H LYS A 35 -1.831 -4.298 -6.329 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.177 -1.930 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.732 -4.167 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.792 -2.774 -5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.750 -4.500 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.143 -3.259 -7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.092 -4.610 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.683 -5.847 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.705 -6.139 -8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.056 -4.945 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.567 -7.181 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.126 -6.367 -9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.754 -7.524 -8.855 1.00 0.00 H new ATOM 551 N LEU A 36 -1.885 -1.994 -4.053 1.00 0.00 N ATOM 552 CA LEU A 36 -1.524 -1.141 -2.922 1.00 0.00 C ATOM 553 C LEU A 36 -0.535 -0.045 -3.336 1.00 0.00 C ATOM 554 O LEU A 36 -0.701 1.120 -2.966 1.00 0.00 O ATOM 555 CB LEU A 36 -0.976 -1.974 -1.755 1.00 0.00 C ATOM 556 CG LEU A 36 -1.978 -2.952 -1.115 1.00 0.00 C ATOM 557 CD1 LEU A 36 -1.383 -3.616 0.110 1.00 0.00 C ATOM 558 CD2 LEU A 36 -3.269 -2.243 -0.763 1.00 0.00 C ATOM 0 H LEU A 36 -1.581 -2.964 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.433 -0.646 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.115 -2.542 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.614 -1.294 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.201 -3.729 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.112 -4.302 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.488 -4.170 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.120 -2.855 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.963 -2.953 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.062 -1.439 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.713 -1.826 -1.667 1.00 0.00 H new ATOM 570 N ARG A 37 0.487 -0.408 -4.118 1.00 0.00 N ATOM 571 CA ARG A 37 1.440 0.585 -4.609 1.00 0.00 C ATOM 572 C ARG A 37 0.722 1.639 -5.454 1.00 0.00 C ATOM 573 O ARG A 37 1.062 2.821 -5.408 1.00 0.00 O ATOM 574 CB ARG A 37 2.578 -0.078 -5.410 1.00 0.00 C ATOM 575 CG ARG A 37 3.633 0.906 -5.912 1.00 0.00 C ATOM 576 CD ARG A 37 3.406 1.297 -7.370 1.00 0.00 C ATOM 577 NE ARG A 37 3.881 0.264 -8.293 1.00 0.00 N ATOM 578 CZ ARG A 37 3.967 0.413 -9.620 1.00 0.00 C ATOM 579 NH1 ARG A 37 3.475 1.496 -10.210 1.00 0.00 N ATOM 580 NH2 ARG A 37 4.508 -0.545 -10.358 1.00 0.00 N ATOM 0 H ARG A 37 0.672 -1.365 -4.419 1.00 0.00 H new ATOM 0 HA ARG A 37 1.889 1.078 -3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.062 -0.827 -4.783 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.150 -0.604 -6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.618 1.801 -5.290 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.622 0.461 -5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.343 1.473 -7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.921 2.235 -7.579 1.00 0.00 H new ATOM 0 HE ARG A 37 4.166 -0.632 -7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.027 2.222 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.545 1.602 -11.222 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.858 -1.394 -9.915 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.574 -0.433 -11.370 1.00 0.00 H new ATOM 594 N SER A 38 -0.283 1.201 -6.208 1.00 0.00 N ATOM 595 CA SER A 38 -1.068 2.109 -7.036 1.00 0.00 C ATOM 596 C SER A 38 -1.786 3.153 -6.174 1.00 0.00 C ATOM 597 O SER A 38 -1.908 4.316 -6.562 1.00 0.00 O ATOM 598 CB SER A 38 -2.082 1.333 -7.877 1.00 0.00 C ATOM 599 OG SER A 38 -1.427 0.441 -8.769 1.00 0.00 O ATOM 0 H SER A 38 -0.572 0.224 -6.262 1.00 0.00 H new ATOM 0 HA SER A 38 -0.383 2.628 -7.706 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.750 0.773 -7.223 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.700 2.030 -8.443 1.00 0.00 H new ATOM 0 HG SER A 38 -1.277 -0.418 -8.321 1.00 0.00 H new ATOM 605 N SER A 39 -2.251 2.732 -5.009 1.00 0.00 N ATOM 606 CA SER A 39 -2.931 3.627 -4.090 1.00 0.00 C ATOM 607 C SER A 39 -1.963 4.679 -3.534 1.00 0.00 C ATOM 608 O SER A 39 -2.314 5.853 -3.401 1.00 0.00 O ATOM 609 CB SER A 39 -3.550 2.825 -2.948 1.00 0.00 C ATOM 610 OG SER A 39 -4.360 1.775 -3.450 1.00 0.00 O ATOM 0 H SER A 39 -2.169 1.771 -4.677 1.00 0.00 H new ATOM 0 HA SER A 39 -3.721 4.146 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.762 2.413 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.149 3.483 -2.319 1.00 0.00 H new ATOM 0 HG SER A 39 -5.139 2.153 -3.909 1.00 0.00 H new ATOM 616 N PHE A 40 -0.744 4.254 -3.242 1.00 0.00 N ATOM 617 CA PHE A 40 0.272 5.128 -2.677 1.00 0.00 C ATOM 618 C PHE A 40 0.844 6.120 -3.693 1.00 0.00 C ATOM 619 O PHE A 40 1.187 7.248 -3.345 1.00 0.00 O ATOM 620 CB PHE A 40 1.382 4.295 -2.059 1.00 0.00 C ATOM 621 CG PHE A 40 1.143 3.977 -0.617 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.080 3.175 -0.237 1.00 0.00 C ATOM 623 CD2 PHE A 40 1.969 4.497 0.364 1.00 0.00 C ATOM 624 CE1 PHE A 40 -0.155 2.903 1.093 1.00 0.00 C ATOM 625 CE2 PHE A 40 1.742 4.223 1.696 1.00 0.00 C ATOM 626 CZ PHE A 40 0.677 3.428 2.060 1.00 0.00 C ATOM 0 H PHE A 40 -0.431 3.294 -3.390 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.213 5.727 -1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.484 3.365 -2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.327 4.830 -2.155 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.572 2.758 -0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.801 5.125 0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.990 2.280 1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.397 4.630 2.452 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.494 3.216 3.103 1.00 0.00 H new ATOM 636 N GLU A 41 0.916 5.717 -4.941 1.00 0.00 N ATOM 637 CA GLU A 41 1.489 6.570 -5.986 1.00 0.00 C ATOM 638 C GLU A 41 0.475 7.585 -6.472 1.00 0.00 C ATOM 639 O GLU A 41 0.770 8.408 -7.339 1.00 0.00 O ATOM 640 CB GLU A 41 1.991 5.747 -7.163 1.00 0.00 C ATOM 641 CG GLU A 41 0.905 4.966 -7.865 1.00 0.00 C ATOM 642 CD GLU A 41 1.360 4.377 -9.174 1.00 0.00 C ATOM 643 OE1 GLU A 41 1.703 3.184 -9.210 1.00 0.00 O ATOM 644 OE2 GLU A 41 1.364 5.111 -10.186 1.00 0.00 O ATOM 0 H GLU A 41 0.589 4.808 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 41 2.336 7.095 -5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.471 6.412 -7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.755 5.054 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.561 4.164 -7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.052 5.620 -8.044 1.00 0.00 H new ATOM 651 N SER A 42 -0.721 7.502 -5.923 1.00 0.00 N ATOM 652 CA SER A 42 -1.814 8.363 -6.317 1.00 0.00 C ATOM 653 C SER A 42 -1.455 9.833 -6.155 1.00 0.00 C ATOM 654 O SER A 42 -1.772 10.658 -7.016 1.00 0.00 O ATOM 655 CB SER A 42 -3.053 8.021 -5.505 1.00 0.00 C ATOM 656 OG SER A 42 -3.523 6.723 -5.824 1.00 0.00 O ATOM 0 H SER A 42 -0.961 6.834 -5.190 1.00 0.00 H new ATOM 0 HA SER A 42 -2.019 8.194 -7.374 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.823 8.078 -4.441 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.835 8.754 -5.701 1.00 0.00 H new ATOM 0 HG SER A 42 -2.760 6.128 -5.980 1.00 0.00 H new ATOM 662 N SER A 43 -0.804 10.170 -5.055 1.00 0.00 N ATOM 663 CA SER A 43 -0.406 11.546 -4.822 1.00 0.00 C ATOM 664 C SER A 43 0.859 11.633 -3.964 1.00 0.00 C ATOM 665 O SER A 43 1.973 11.694 -4.491 1.00 0.00 O ATOM 666 CB SER A 43 -1.554 12.338 -4.177 1.00 0.00 C ATOM 667 OG SER A 43 -2.725 12.294 -4.982 1.00 0.00 O ATOM 0 H SER A 43 -0.542 9.517 -4.317 1.00 0.00 H new ATOM 0 HA SER A 43 -0.176 11.990 -5.790 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.772 11.929 -3.190 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.248 13.374 -4.032 1.00 0.00 H new ATOM 0 HG SER A 43 -3.440 12.804 -4.548 1.00 0.00 H new ATOM 673 N CYS A 44 0.669 11.573 -2.641 1.00 0.00 N ATOM 674 CA CYS A 44 1.753 11.720 -1.663 1.00 0.00 C ATOM 675 C CYS A 44 1.182 11.834 -0.223 1.00 0.00 C ATOM 676 O CYS A 44 1.657 11.144 0.681 1.00 0.00 O ATOM 677 CB CYS A 44 2.652 12.942 -1.990 1.00 0.00 C ATOM 678 SG CYS A 44 3.880 13.374 -0.705 1.00 0.00 S ATOM 0 H CYS A 44 -0.246 11.420 -2.217 1.00 0.00 H new ATOM 0 HA CYS A 44 2.373 10.825 -1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.180 12.744 -2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.012 13.807 -2.163 1.00 0.00 H new ATOM 683 N PRO A 45 0.146 12.715 0.018 1.00 0.00 N ATOM 684 CA PRO A 45 -0.476 12.846 1.346 1.00 0.00 C ATOM 685 C PRO A 45 -1.140 11.548 1.789 1.00 0.00 C ATOM 686 O PRO A 45 -1.842 10.896 1.003 1.00 0.00 O ATOM 687 CB PRO A 45 -1.542 13.932 1.151 1.00 0.00 C ATOM 688 CG PRO A 45 -1.130 14.662 -0.076 1.00 0.00 C ATOM 689 CD PRO A 45 -0.467 13.649 -0.950 1.00 0.00 C ATOM 0 HA PRO A 45 0.260 13.088 2.113 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.534 13.495 1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.586 14.600 2.011 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.992 15.105 -0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.448 15.477 0.165 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.185 13.144 -1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.281 14.105 -1.598 1.00 0.00 H new ATOM 697 N GLN A 46 -0.947 11.195 3.052 1.00 0.00 N ATOM 698 CA GLN A 46 -1.486 9.957 3.602 1.00 0.00 C ATOM 699 C GLN A 46 -2.998 9.998 3.642 1.00 0.00 C ATOM 700 O GLN A 46 -3.654 8.965 3.596 1.00 0.00 O ATOM 701 CB GLN A 46 -0.946 9.716 5.008 1.00 0.00 C ATOM 702 CG GLN A 46 -1.342 8.371 5.581 1.00 0.00 C ATOM 703 CD GLN A 46 -0.910 8.193 7.016 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.855 9.149 7.785 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.587 6.967 7.381 1.00 0.00 N ATOM 0 H GLN A 46 -0.417 11.753 3.721 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.172 9.140 2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.141 9.789 4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.307 10.505 5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.424 8.259 5.516 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.903 7.580 4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.648 6.202 6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.277 6.784 8.335 1.00 0.00 H new ATOM 714 N GLN A 47 -3.533 11.197 3.726 1.00 0.00 N ATOM 715 CA GLN A 47 -4.969 11.417 3.775 1.00 0.00 C ATOM 716 C GLN A 47 -5.651 10.718 2.600 1.00 0.00 C ATOM 717 O GLN A 47 -6.474 9.815 2.784 1.00 0.00 O ATOM 718 CB GLN A 47 -5.277 12.930 3.749 1.00 0.00 C ATOM 719 CG GLN A 47 -4.812 13.717 4.992 1.00 0.00 C ATOM 720 CD GLN A 47 -3.315 13.600 5.264 1.00 0.00 C ATOM 721 OE1 GLN A 47 -2.878 12.723 6.005 1.00 0.00 O ATOM 722 NE2 GLN A 47 -2.527 14.464 4.656 1.00 0.00 N ATOM 0 H GLN A 47 -2.983 12.055 3.763 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.356 10.997 4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.807 13.365 2.867 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.353 13.064 3.636 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.068 14.769 4.863 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.360 13.360 5.864 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.927 15.179 4.048 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.517 14.418 4.794 1.00 0.00 H new ATOM 731 N TRP A 48 -5.277 11.121 1.398 1.00 0.00 N ATOM 732 CA TRP A 48 -5.827 10.538 0.186 1.00 0.00 C ATOM 733 C TRP A 48 -5.342 9.100 0.016 1.00 0.00 C ATOM 734 O TRP A 48 -6.126 8.200 -0.298 1.00 0.00 O ATOM 735 CB TRP A 48 -5.415 11.380 -1.032 1.00 0.00 C ATOM 736 CG TRP A 48 -5.970 10.880 -2.335 1.00 0.00 C ATOM 737 CD1 TRP A 48 -5.474 9.863 -3.105 1.00 0.00 C ATOM 738 CD2 TRP A 48 -7.119 11.379 -3.024 1.00 0.00 C ATOM 739 NE1 TRP A 48 -6.248 9.700 -4.223 1.00 0.00 N ATOM 740 CE2 TRP A 48 -7.263 10.618 -4.199 1.00 0.00 C ATOM 741 CE3 TRP A 48 -8.042 12.395 -2.761 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -8.291 10.842 -5.107 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -9.063 12.614 -3.664 1.00 0.00 C ATOM 744 CH2 TRP A 48 -9.180 11.841 -4.824 1.00 0.00 C ATOM 0 H TRP A 48 -4.589 11.856 1.235 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.914 10.530 0.265 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.744 12.408 -0.879 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.327 11.400 -1.096 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.600 9.275 -2.866 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.093 9.007 -4.955 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.958 12.997 -1.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.384 10.248 -6.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.783 13.395 -3.472 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.990 12.038 -5.511 1.00 0.00 H new ATOM 755 N ILE A 49 -4.049 8.896 0.242 1.00 0.00 N ATOM 756 CA ILE A 49 -3.424 7.591 0.066 1.00 0.00 C ATOM 757 C ILE A 49 -4.068 6.517 0.922 1.00 0.00 C ATOM 758 O ILE A 49 -4.614 5.560 0.398 1.00 0.00 O ATOM 759 CB ILE A 49 -1.908 7.653 0.349 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.196 8.365 -0.802 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.327 6.257 0.581 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.292 8.518 -0.604 1.00 0.00 C ATOM 0 H ILE A 49 -3.408 9.627 0.551 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.579 7.318 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.748 8.222 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.374 7.811 -1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.638 9.353 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.258 6.336 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.820 5.795 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.489 5.644 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.722 9.032 -1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.481 9.099 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.749 7.533 -0.504 1.00 0.00 H new ATOM 774 N LYS A 50 -4.033 6.689 2.235 1.00 0.00 N ATOM 775 CA LYS A 50 -4.559 5.675 3.123 1.00 0.00 C ATOM 776 C LYS A 50 -6.055 5.559 3.042 1.00 0.00 C ATOM 777 O LYS A 50 -6.598 4.512 3.351 1.00 0.00 O ATOM 778 CB LYS A 50 -4.103 5.864 4.570 1.00 0.00 C ATOM 779 CG LYS A 50 -2.688 5.354 4.847 1.00 0.00 C ATOM 780 CD LYS A 50 -2.514 3.874 4.473 1.00 0.00 C ATOM 781 CE LYS A 50 -3.511 2.967 5.197 1.00 0.00 C ATOM 782 NZ LYS A 50 -3.304 1.535 4.844 1.00 0.00 N ATOM 0 H LYS A 50 -3.650 7.512 2.700 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.138 4.733 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.152 6.924 4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.800 5.348 5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.972 5.954 4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.457 5.488 5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.637 3.758 3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.499 3.558 4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.406 3.096 6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.528 3.263 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.172 0.999 5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.075 1.456 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.520 1.148 5.407 1.00 0.00 H new ATOM 796 N TYR A 51 -6.736 6.623 2.633 1.00 0.00 N ATOM 797 CA TYR A 51 -8.178 6.530 2.492 1.00 0.00 C ATOM 798 C TYR A 51 -8.542 5.573 1.357 1.00 0.00 C ATOM 799 O TYR A 51 -9.400 4.704 1.517 1.00 0.00 O ATOM 800 CB TYR A 51 -8.824 7.894 2.263 1.00 0.00 C ATOM 801 CG TYR A 51 -10.330 7.812 2.222 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.053 7.551 3.378 1.00 0.00 C ATOM 803 CD2 TYR A 51 -11.026 7.968 1.032 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.425 7.445 3.349 1.00 0.00 C ATOM 805 CE2 TYR A 51 -12.402 7.868 0.997 1.00 0.00 C ATOM 806 CZ TYR A 51 -13.096 7.604 2.160 1.00 0.00 C ATOM 807 OH TYR A 51 -14.467 7.488 2.129 1.00 0.00 O ATOM 0 H TYR A 51 -6.328 7.529 2.401 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.570 6.139 3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.521 8.576 3.057 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.459 8.314 1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.530 7.429 4.315 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.483 8.171 0.120 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -12.972 7.238 4.257 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.932 7.996 0.065 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.787 7.629 1.213 1.00 0.00 H new ATOM 817 N PHE A 52 -7.884 5.733 0.213 1.00 0.00 N ATOM 818 CA PHE A 52 -8.132 4.868 -0.931 1.00 0.00 C ATOM 819 C PHE A 52 -7.517 3.484 -0.700 1.00 0.00 C ATOM 820 O PHE A 52 -8.137 2.454 -0.987 1.00 0.00 O ATOM 821 CB PHE A 52 -7.564 5.502 -2.208 1.00 0.00 C ATOM 822 CG PHE A 52 -7.902 4.753 -3.469 1.00 0.00 C ATOM 823 CD1 PHE A 52 -9.161 4.862 -4.038 1.00 0.00 C ATOM 824 CD2 PHE A 52 -6.961 3.941 -4.086 1.00 0.00 C ATOM 825 CE1 PHE A 52 -9.475 4.178 -5.196 1.00 0.00 C ATOM 826 CE2 PHE A 52 -7.270 3.254 -5.244 1.00 0.00 C ATOM 827 CZ PHE A 52 -8.528 3.373 -5.800 1.00 0.00 C ATOM 0 H PHE A 52 -7.178 6.452 0.055 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.209 4.749 -1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.939 6.522 -2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.480 5.568 -2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.905 5.489 -3.570 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.975 3.845 -3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.460 4.272 -5.629 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.528 2.625 -5.714 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.772 2.838 -6.706 1.00 0.00 H new ATOM 837 N ASP A 53 -6.304 3.480 -0.161 1.00 0.00 N ATOM 838 CA ASP A 53 -5.556 2.247 0.111 1.00 0.00 C ATOM 839 C ASP A 53 -6.301 1.340 1.081 1.00 0.00 C ATOM 840 O ASP A 53 -6.339 0.138 0.894 1.00 0.00 O ATOM 841 CB ASP A 53 -4.171 2.593 0.676 1.00 0.00 C ATOM 842 CG ASP A 53 -3.364 1.378 1.084 1.00 0.00 C ATOM 843 OD1 ASP A 53 -2.776 0.733 0.204 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.290 1.097 2.302 1.00 0.00 O ATOM 0 H ASP A 53 -5.806 4.330 0.102 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.445 1.708 -0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.613 3.156 -0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.293 3.246 1.541 1.00 0.00 H new ATOM 849 N LYS A 54 -6.934 1.944 2.090 1.00 0.00 N ATOM 850 CA LYS A 54 -7.665 1.212 3.147 1.00 0.00 C ATOM 851 C LYS A 54 -8.673 0.196 2.575 1.00 0.00 C ATOM 852 O LYS A 54 -9.013 -0.796 3.231 1.00 0.00 O ATOM 853 CB LYS A 54 -8.388 2.215 4.060 1.00 0.00 C ATOM 854 CG LYS A 54 -9.114 1.598 5.245 1.00 0.00 C ATOM 855 CD LYS A 54 -9.686 2.675 6.153 1.00 0.00 C ATOM 856 CE LYS A 54 -10.413 2.075 7.343 1.00 0.00 C ATOM 857 NZ LYS A 54 -10.876 3.122 8.288 1.00 0.00 N ATOM 0 H LYS A 54 -6.959 2.957 2.204 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.932 0.644 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.659 2.934 4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.109 2.773 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.917 0.953 4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.427 0.968 5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.881 3.320 6.505 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.373 3.303 5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.268 1.497 6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.751 1.383 7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.368 2.675 9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.057 3.658 8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.528 3.768 7.798 1.00 0.00 H new ATOM 871 N ARG A 55 -9.134 0.440 1.361 1.00 0.00 N ATOM 872 CA ARG A 55 -10.107 -0.437 0.726 1.00 0.00 C ATOM 873 C ARG A 55 -9.471 -1.766 0.287 1.00 0.00 C ATOM 874 O ARG A 55 -10.044 -2.836 0.485 1.00 0.00 O ATOM 875 CB ARG A 55 -10.741 0.269 -0.473 1.00 0.00 C ATOM 876 CG ARG A 55 -11.833 -0.533 -1.156 1.00 0.00 C ATOM 877 CD ARG A 55 -12.467 0.257 -2.286 1.00 0.00 C ATOM 878 NE ARG A 55 -13.562 -0.476 -2.919 1.00 0.00 N ATOM 879 CZ ARG A 55 -14.610 0.101 -3.506 1.00 0.00 C ATOM 880 NH1 ARG A 55 -14.711 1.426 -3.541 1.00 0.00 N ATOM 881 NH2 ARG A 55 -15.556 -0.646 -4.052 1.00 0.00 N ATOM 0 H ARG A 55 -8.851 1.239 0.793 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.880 -0.668 1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.156 1.221 -0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.962 0.496 -1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.416 -1.461 -1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.596 -0.808 -0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.841 1.205 -1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.709 0.493 -3.033 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.521 -1.495 -2.911 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.985 2.004 -3.118 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.514 1.865 -3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.483 -1.663 -4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.358 -0.205 -4.501 1.00 0.00 H new ATOM 895 N ARG A 56 -8.284 -1.695 -0.293 1.00 0.00 N ATOM 896 CA ARG A 56 -7.606 -2.893 -0.797 1.00 0.00 C ATOM 897 C ARG A 56 -6.456 -3.299 0.135 1.00 0.00 C ATOM 898 O ARG A 56 -5.789 -4.314 -0.088 1.00 0.00 O ATOM 899 CB ARG A 56 -7.064 -2.630 -2.212 1.00 0.00 C ATOM 900 CG ARG A 56 -6.571 -3.876 -2.950 1.00 0.00 C ATOM 901 CD ARG A 56 -7.715 -4.644 -3.612 1.00 0.00 C ATOM 902 NE ARG A 56 -8.695 -5.158 -2.648 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.013 -5.219 -2.883 1.00 0.00 C ATOM 904 NH1 ARG A 56 -10.509 -4.786 -4.038 1.00 0.00 N ATOM 905 NH2 ARG A 56 -10.830 -5.715 -1.963 1.00 0.00 N ATOM 0 H ARG A 56 -7.766 -0.827 -0.429 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.327 -3.710 -0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.848 -2.160 -2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.243 -1.916 -2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.845 -3.584 -3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.054 -4.531 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.221 -3.990 -4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.304 -5.477 -4.183 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.353 -5.488 -1.746 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.886 -4.405 -4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.513 -4.835 -4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.455 -6.050 -1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.833 -5.761 -2.143 1.00 0.00 H new ATOM 919 N ASP A 57 -6.253 -2.499 1.166 1.00 0.00 N ATOM 920 CA ASP A 57 -5.157 -2.668 2.131 1.00 0.00 C ATOM 921 C ASP A 57 -5.036 -4.096 2.639 1.00 0.00 C ATOM 922 O ASP A 57 -5.964 -4.644 3.249 1.00 0.00 O ATOM 923 CB ASP A 57 -5.348 -1.713 3.305 1.00 0.00 C ATOM 924 CG ASP A 57 -4.180 -1.703 4.271 1.00 0.00 C ATOM 925 OD1 ASP A 57 -3.235 -2.506 4.100 1.00 0.00 O ATOM 926 OD2 ASP A 57 -4.206 -0.878 5.215 1.00 0.00 O ATOM 0 H ASP A 57 -6.850 -1.697 1.369 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.230 -2.436 1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.501 -0.704 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.254 -1.990 3.845 1.00 0.00 H new ATOM 931 N TYR A 58 -3.908 -4.706 2.327 1.00 0.00 N ATOM 932 CA TYR A 58 -3.594 -6.038 2.789 1.00 0.00 C ATOM 933 C TYR A 58 -2.319 -6.022 3.647 1.00 0.00 C ATOM 934 O TYR A 58 -2.339 -6.338 4.826 1.00 0.00 O ATOM 935 CB TYR A 58 -3.416 -6.964 1.590 1.00 0.00 C ATOM 936 CG TYR A 58 -3.441 -8.449 1.914 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.469 -9.257 1.453 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.436 -9.038 2.670 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.497 -10.608 1.737 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.455 -10.385 2.957 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.487 -11.167 2.487 1.00 0.00 C ATOM 942 OH TYR A 58 -3.511 -12.515 2.770 1.00 0.00 O ATOM 0 H TYR A 58 -3.184 -4.287 1.744 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.415 -6.405 3.406 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.204 -6.752 0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.468 -6.729 1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.261 -8.822 0.862 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.625 -8.429 3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.307 -11.223 1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.665 -10.826 3.547 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.726 -12.750 3.308 1.00 0.00 H new ATOM 952 N LEU A 59 -1.206 -5.669 3.020 1.00 0.00 N ATOM 953 CA LEU A 59 0.086 -5.633 3.699 1.00 0.00 C ATOM 954 C LEU A 59 0.309 -4.362 4.507 1.00 0.00 C ATOM 955 O LEU A 59 1.046 -4.375 5.491 1.00 0.00 O ATOM 956 CB LEU A 59 1.242 -5.821 2.718 1.00 0.00 C ATOM 957 CG LEU A 59 1.442 -7.230 2.136 1.00 0.00 C ATOM 958 CD1 LEU A 59 1.481 -8.276 3.234 1.00 0.00 C ATOM 959 CD2 LEU A 59 0.373 -7.565 1.114 1.00 0.00 C ATOM 0 H LEU A 59 -1.170 -5.402 2.036 1.00 0.00 H new ATOM 0 HA LEU A 59 0.064 -6.468 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.098 -5.129 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.164 -5.528 3.221 1.00 0.00 H new ATOM 0 HG LEU A 59 2.405 -7.237 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.623 -9.262 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.306 -8.060 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.542 -8.258 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.545 -8.568 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.608 -7.523 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.413 -6.845 0.296 1.00 0.00 H new ATOM 971 N LYS A 60 -0.292 -3.269 4.080 1.00 0.00 N ATOM 972 CA LYS A 60 -0.075 -1.986 4.734 1.00 0.00 C ATOM 973 C LYS A 60 -0.626 -1.997 6.166 1.00 0.00 C ATOM 974 O LYS A 60 0.009 -1.491 7.082 1.00 0.00 O ATOM 975 CB LYS A 60 -0.694 -0.849 3.906 1.00 0.00 C ATOM 976 CG LYS A 60 -0.174 0.545 4.249 1.00 0.00 C ATOM 977 CD LYS A 60 1.324 0.680 3.978 1.00 0.00 C ATOM 978 CE LYS A 60 1.680 0.324 2.536 1.00 0.00 C ATOM 979 NZ LYS A 60 3.033 0.822 2.168 1.00 0.00 N ATOM 0 H LYS A 60 -0.933 -3.239 3.287 1.00 0.00 H new ATOM 0 HA LYS A 60 0.999 -1.811 4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.506 -1.043 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.775 -0.863 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.717 1.288 3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.373 0.758 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.639 1.702 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.875 0.031 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.642 -0.758 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.938 0.751 1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.941 1.625 1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.535 1.130 3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.570 0.060 1.707 1.00 0.00 H new ATOM 993 N PHE A 61 -1.802 -2.587 6.350 1.00 0.00 N ATOM 994 CA PHE A 61 -2.395 -2.696 7.681 1.00 0.00 C ATOM 995 C PHE A 61 -1.795 -3.878 8.433 1.00 0.00 C ATOM 996 O PHE A 61 -1.910 -3.977 9.657 1.00 0.00 O ATOM 997 CB PHE A 61 -3.934 -2.845 7.596 1.00 0.00 C ATOM 998 CG PHE A 61 -4.447 -4.270 7.475 1.00 0.00 C ATOM 999 CD1 PHE A 61 -4.829 -4.972 8.611 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -4.560 -4.902 6.239 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -5.309 -6.263 8.523 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -5.041 -6.199 6.154 1.00 0.00 C ATOM 1003 CZ PHE A 61 -5.415 -6.876 7.295 1.00 0.00 C ATOM 0 H PHE A 61 -2.361 -2.995 5.601 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.171 -1.778 8.225 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.375 -2.393 8.484 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.290 -2.275 6.738 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.749 -4.500 9.579 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.271 -4.378 5.340 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.602 -6.792 9.418 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.123 -6.681 5.191 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.791 -7.886 7.226 1.00 0.00 H new