USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 444 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 198 LYS NZ :NH3+ -176:sc= 0.919 (180deg=0.893) USER MOD Single : A 214 SER OG : rot 70:sc= 2.88 USER MOD Single : A 215 LYS NZ :NH3+ -174:sc= -0.071 (180deg=-0.118) USER MOD Single : A 221 LYS NZ :NH3+ 157:sc= 1.17 (180deg=0.803) USER MOD Single : A 224 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ 169:sc= 0.481 (180deg=0.231) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 250 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.26) USER MOD Single : A 251 ASN : amide:sc= -0.766 K(o=-0.77,f=-4.2!) USER MOD Single : A 254 TYR OH : rot 38:sc= 0.498 USER MOD Single : A 255 LYS NZ :NH3+ -107:sc= 0.0154 (180deg=0) USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -32.213 -8.613 20.022 1.00 0.00 N ATOM 124 CA ASP A 195 -33.259 -9.572 19.663 1.00 0.00 C ATOM 125 C ASP A 195 -34.204 -9.028 18.593 1.00 0.00 C ATOM 126 O ASP A 195 -35.420 -9.234 18.621 1.00 0.00 O ATOM 127 CB ASP A 195 -34.045 -10.043 20.883 1.00 0.00 C ATOM 128 CG ASP A 195 -34.756 -11.365 20.584 1.00 0.00 C ATOM 129 OD1 ASP A 195 -34.116 -12.262 19.978 1.00 0.00 O ATOM 130 OD2 ASP A 195 -35.888 -11.593 21.065 1.00 0.00 O ATOM 0 HA ASP A 195 -32.744 -10.435 19.240 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -33.371 -10.169 21.731 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -34.776 -9.286 21.167 1.00 0.00 H new ATOM 135 N ALA A 196 -33.628 -8.294 17.649 1.00 0.00 N ATOM 136 CA ALA A 196 -34.349 -7.446 16.723 1.00 0.00 C ATOM 137 C ALA A 196 -35.241 -6.408 17.416 1.00 0.00 C ATOM 138 O ALA A 196 -36.428 -6.302 17.107 1.00 0.00 O ATOM 139 CB ALA A 196 -35.049 -8.271 15.628 1.00 0.00 C ATOM 0 H ALA A 196 -32.618 -8.275 17.507 1.00 0.00 H new ATOM 0 HA ALA A 196 -33.611 -6.836 16.202 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -35.580 -7.601 14.951 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -34.305 -8.838 15.068 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -35.758 -8.959 16.088 1.00 0.00 H new ATOM 145 N ALA A 197 -34.605 -5.594 18.262 1.00 0.00 N ATOM 146 CA ALA A 197 -35.050 -4.379 18.943 1.00 0.00 C ATOM 147 C ALA A 197 -35.544 -4.702 20.351 1.00 0.00 C ATOM 148 O ALA A 197 -36.574 -5.349 20.537 1.00 0.00 O ATOM 149 CB ALA A 197 -36.074 -3.561 18.153 1.00 0.00 C ATOM 0 H ALA A 197 -33.639 -5.801 18.517 1.00 0.00 H new ATOM 0 HA ALA A 197 -34.175 -3.733 19.019 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -36.353 -2.677 18.726 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -35.639 -3.255 17.202 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -36.960 -4.168 17.968 1.00 0.00 H new ATOM 155 N LYS A 198 -34.762 -4.211 21.316 1.00 0.00 N ATOM 156 CA LYS A 198 -34.762 -4.514 22.742 1.00 0.00 C ATOM 157 C LYS A 198 -36.187 -4.775 23.311 1.00 0.00 C ATOM 158 O LYS A 198 -36.915 -3.818 23.574 1.00 0.00 O ATOM 159 CB LYS A 198 -33.947 -3.397 23.443 1.00 0.00 C ATOM 160 CG LYS A 198 -34.687 -2.051 23.453 1.00 0.00 C ATOM 161 CD LYS A 198 -33.898 -0.755 23.688 1.00 0.00 C ATOM 162 CE LYS A 198 -34.361 0.307 22.674 1.00 0.00 C ATOM 163 NZ LYS A 198 -34.318 1.693 23.185 1.00 0.00 N ATOM 0 H LYS A 198 -34.043 -3.523 21.091 1.00 0.00 H new ATOM 0 HA LYS A 198 -34.273 -5.467 22.943 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -33.731 -3.697 24.468 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -32.989 -3.278 22.937 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -35.199 -1.953 22.496 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -35.458 -2.108 24.222 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -34.056 -0.398 24.706 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -32.829 -0.940 23.578 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -33.735 0.240 21.784 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -35.381 0.077 22.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -34.708 2.339 22.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -34.883 1.760 24.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -33.333 1.957 23.390 1.00 0.00 H new ATOM 177 N PRO A 199 -36.594 -6.030 23.592 1.00 0.00 N ATOM 178 CA PRO A 199 -37.948 -6.366 24.075 1.00 0.00 C ATOM 179 C PRO A 199 -38.306 -5.933 25.528 1.00 0.00 C ATOM 180 O PRO A 199 -38.925 -6.695 26.258 1.00 0.00 O ATOM 181 CB PRO A 199 -38.069 -7.890 23.837 1.00 0.00 C ATOM 182 CG PRO A 199 -36.635 -8.408 23.800 1.00 0.00 C ATOM 183 CD PRO A 199 -35.899 -7.243 23.156 1.00 0.00 C ATOM 0 HA PRO A 199 -38.688 -5.784 23.526 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -38.639 -8.368 24.633 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -38.588 -8.102 22.902 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -36.255 -8.631 24.797 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -36.546 -9.322 23.213 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -34.854 -7.225 23.464 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -35.910 -7.329 22.069 1.00 0.00 H new ATOM 191 N GLU A 200 -37.973 -4.710 25.953 1.00 0.00 N ATOM 192 CA GLU A 200 -38.337 -4.081 27.243 1.00 0.00 C ATOM 193 C GLU A 200 -38.116 -2.544 27.183 1.00 0.00 C ATOM 194 O GLU A 200 -38.361 -1.822 28.137 1.00 0.00 O ATOM 195 CB GLU A 200 -37.533 -4.774 28.381 1.00 0.00 C ATOM 196 CG GLU A 200 -37.587 -4.191 29.808 1.00 0.00 C ATOM 197 CD GLU A 200 -36.652 -4.921 30.793 1.00 0.00 C ATOM 198 OE1 GLU A 200 -36.783 -6.149 30.975 1.00 0.00 O ATOM 199 OE2 GLU A 200 -35.738 -4.272 31.371 1.00 0.00 O ATOM 0 H GLU A 200 -37.407 -4.088 25.376 1.00 0.00 H new ATOM 0 HA GLU A 200 -39.398 -4.220 27.452 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -37.871 -5.809 28.437 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -36.487 -4.796 28.076 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -37.317 -3.136 29.774 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -38.611 -4.246 30.179 1.00 0.00 H new ATOM 206 N ASP A 201 -37.626 -2.001 26.062 1.00 0.00 N ATOM 207 CA ASP A 201 -36.835 -0.754 25.964 1.00 0.00 C ATOM 208 C ASP A 201 -35.519 -0.815 26.743 1.00 0.00 C ATOM 209 O ASP A 201 -34.826 0.178 26.920 1.00 0.00 O ATOM 210 CB ASP A 201 -37.595 0.558 26.188 1.00 0.00 C ATOM 211 CG ASP A 201 -37.152 1.559 25.107 1.00 0.00 C ATOM 212 OD1 ASP A 201 -36.158 2.313 25.273 1.00 0.00 O ATOM 213 OD2 ASP A 201 -37.705 1.477 23.990 1.00 0.00 O ATOM 0 H ASP A 201 -37.774 -2.435 25.151 1.00 0.00 H new ATOM 0 HA ASP A 201 -36.584 -0.715 24.904 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -38.670 0.389 26.132 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -37.386 0.954 27.182 1.00 0.00 H new ATOM 218 N TRP A 202 -35.121 -1.994 27.197 1.00 0.00 N ATOM 219 CA TRP A 202 -33.986 -2.173 28.072 1.00 0.00 C ATOM 220 C TRP A 202 -32.639 -1.793 27.478 1.00 0.00 C ATOM 221 O TRP A 202 -31.776 -1.294 28.199 1.00 0.00 O ATOM 222 CB TRP A 202 -33.928 -3.631 28.513 1.00 0.00 C ATOM 223 CG TRP A 202 -33.921 -4.780 27.540 1.00 0.00 C ATOM 224 CD1 TRP A 202 -34.642 -4.902 26.404 1.00 0.00 C ATOM 225 CD2 TRP A 202 -33.321 -6.097 27.738 1.00 0.00 C ATOM 226 NE1 TRP A 202 -34.463 -6.147 25.853 1.00 0.00 N ATOM 227 CE2 TRP A 202 -33.646 -6.922 26.626 1.00 0.00 C ATOM 228 CE3 TRP A 202 -32.570 -6.702 28.764 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -33.220 -8.245 26.507 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -32.111 -8.026 28.655 1.00 0.00 C ATOM 231 CH2 TRP A 202 -32.421 -8.793 27.517 1.00 0.00 C ATOM 0 H TRP A 202 -35.592 -2.867 26.959 1.00 0.00 H new ATOM 0 HA TRP A 202 -34.148 -1.488 28.904 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -33.030 -3.735 29.122 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -34.781 -3.789 29.173 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -35.271 -4.129 25.988 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -34.887 -6.454 24.977 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -32.341 -6.136 29.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -33.502 -8.837 25.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -31.518 -8.456 29.448 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -32.044 -9.801 27.423 1.00 0.00 H new ATOM 242 N ASP A 203 -32.427 -2.123 26.201 1.00 0.00 N ATOM 243 CA ASP A 203 -31.128 -2.069 25.521 1.00 0.00 C ATOM 244 C ASP A 203 -30.164 -3.052 26.185 1.00 0.00 C ATOM 245 O ASP A 203 -29.105 -2.671 26.677 1.00 0.00 O ATOM 246 CB ASP A 203 -30.603 -0.616 25.475 1.00 0.00 C ATOM 247 CG ASP A 203 -29.809 -0.255 24.217 1.00 0.00 C ATOM 248 OD1 ASP A 203 -29.844 -0.992 23.201 1.00 0.00 O ATOM 249 OD2 ASP A 203 -29.254 0.870 24.223 1.00 0.00 O ATOM 0 H ASP A 203 -33.179 -2.446 25.591 1.00 0.00 H new ATOM 0 HA ASP A 203 -31.230 -2.381 24.481 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -31.451 0.064 25.559 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -29.971 -0.446 26.347 1.00 0.00 H new ATOM 254 N GLU A 204 -30.575 -4.326 26.302 1.00 0.00 N ATOM 255 CA GLU A 204 -29.913 -5.384 27.087 1.00 0.00 C ATOM 256 C GLU A 204 -29.695 -5.007 28.567 1.00 0.00 C ATOM 257 O GLU A 204 -29.018 -5.683 29.346 1.00 0.00 O ATOM 258 CB GLU A 204 -28.640 -5.825 26.358 1.00 0.00 C ATOM 259 CG GLU A 204 -28.122 -7.177 26.852 1.00 0.00 C ATOM 260 CD GLU A 204 -27.215 -7.905 25.859 1.00 0.00 C ATOM 261 OE1 GLU A 204 -26.278 -7.293 25.285 1.00 0.00 O ATOM 262 OE2 GLU A 204 -27.368 -9.142 25.740 1.00 0.00 O ATOM 0 H GLU A 204 -31.415 -4.662 25.831 1.00 0.00 H new ATOM 0 HA GLU A 204 -30.580 -6.244 27.149 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -28.840 -5.885 25.288 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -27.866 -5.070 26.496 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -27.574 -7.025 27.782 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -28.974 -7.816 27.084 1.00 0.00 H new ATOM 269 N ARG A 205 -30.283 -3.886 28.969 1.00 0.00 N ATOM 270 CA ARG A 205 -30.036 -3.121 30.168 1.00 0.00 C ATOM 271 C ARG A 205 -28.558 -2.750 30.338 1.00 0.00 C ATOM 272 O ARG A 205 -28.153 -2.389 31.444 1.00 0.00 O ATOM 273 CB ARG A 205 -30.750 -3.825 31.329 1.00 0.00 C ATOM 274 CG ARG A 205 -31.784 -2.912 32.008 1.00 0.00 C ATOM 275 CD ARG A 205 -31.137 -1.906 32.960 1.00 0.00 C ATOM 276 NE ARG A 205 -30.636 -2.566 34.174 1.00 0.00 N ATOM 277 CZ ARG A 205 -29.789 -2.031 35.061 1.00 0.00 C ATOM 278 NH1 ARG A 205 -29.342 -0.785 34.933 1.00 0.00 N ATOM 279 NH2 ARG A 205 -29.374 -2.754 36.096 1.00 0.00 N ATOM 0 H ARG A 205 -31.014 -3.455 28.403 1.00 0.00 H new ATOM 0 HA ARG A 205 -30.473 -2.124 30.118 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -31.246 -4.722 30.959 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -30.014 -4.149 32.065 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -32.348 -2.375 31.245 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -32.498 -3.524 32.560 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -30.316 -1.399 32.454 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -31.864 -1.141 33.233 1.00 0.00 H new ATOM 0 HE ARG A 205 -30.963 -3.515 34.356 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -29.644 -0.213 34.144 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -28.697 -0.401 35.623 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -29.701 -3.713 36.212 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -28.728 -2.350 36.774 1.00 0.00 H new ATOM 293 N ALA A 206 -27.786 -2.773 29.242 1.00 0.00 N ATOM 294 CA ALA A 206 -26.411 -2.311 29.028 1.00 0.00 C ATOM 295 C ALA A 206 -25.820 -2.932 27.750 1.00 0.00 C ATOM 296 O ALA A 206 -24.887 -3.738 27.811 1.00 0.00 O ATOM 297 CB ALA A 206 -25.488 -2.567 30.227 1.00 0.00 C ATOM 0 H ALA A 206 -28.160 -3.166 28.378 1.00 0.00 H new ATOM 0 HA ALA A 206 -26.469 -1.229 28.910 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -24.487 -2.201 30.000 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -25.875 -2.046 31.102 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -25.445 -3.637 30.431 1.00 0.00 H new ATOM 408 N SER A 214 -24.139 2.173 10.250 1.00 0.00 N ATOM 409 CA SER A 214 -23.798 2.329 8.850 1.00 0.00 C ATOM 410 C SER A 214 -22.296 2.517 8.783 1.00 0.00 C ATOM 411 O SER A 214 -21.782 3.602 9.070 1.00 0.00 O ATOM 412 CB SER A 214 -24.533 3.545 8.275 1.00 0.00 C ATOM 413 OG SER A 214 -24.156 3.954 6.975 1.00 0.00 O ATOM 0 HA SER A 214 -24.095 1.460 8.263 1.00 0.00 H new ATOM 0 HB2 SER A 214 -25.601 3.326 8.267 1.00 0.00 H new ATOM 0 HB3 SER A 214 -24.385 4.385 8.953 1.00 0.00 H new ATOM 0 HG SER A 214 -24.457 3.288 6.322 1.00 0.00 H new ATOM 419 N LYS A 215 -21.636 1.438 8.387 1.00 0.00 N ATOM 420 CA LYS A 215 -20.217 1.368 8.107 1.00 0.00 C ATOM 421 C LYS A 215 -19.374 1.458 9.400 1.00 0.00 C ATOM 422 O LYS A 215 -19.677 2.232 10.307 1.00 0.00 O ATOM 423 CB LYS A 215 -19.891 2.414 7.017 1.00 0.00 C ATOM 424 CG LYS A 215 -18.855 3.465 7.379 1.00 0.00 C ATOM 425 CD LYS A 215 -18.829 4.600 6.340 1.00 0.00 C ATOM 426 CE LYS A 215 -17.518 4.668 5.551 1.00 0.00 C ATOM 427 NZ LYS A 215 -16.995 6.051 5.584 1.00 0.00 N ATOM 0 H LYS A 215 -22.105 0.543 8.246 1.00 0.00 H new ATOM 0 HA LYS A 215 -19.939 0.394 7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -19.546 1.886 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -20.815 2.924 6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -19.078 3.875 8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -17.870 3.002 7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -19.657 4.466 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -18.990 5.551 6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -16.788 3.981 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -17.685 4.355 4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -16.161 6.122 4.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -17.729 6.708 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -16.726 6.297 6.558 1.00 0.00 H new ATOM 441 N PRO A 216 -18.302 0.663 9.511 1.00 0.00 N ATOM 442 CA PRO A 216 -17.320 0.769 10.575 1.00 0.00 C ATOM 443 C PRO A 216 -16.168 1.694 10.167 1.00 0.00 C ATOM 444 O PRO A 216 -15.958 1.975 8.979 1.00 0.00 O ATOM 445 CB PRO A 216 -16.835 -0.669 10.744 1.00 0.00 C ATOM 446 CG PRO A 216 -16.843 -1.221 9.320 1.00 0.00 C ATOM 447 CD PRO A 216 -18.043 -0.511 8.701 1.00 0.00 C ATOM 0 HA PRO A 216 -17.726 1.194 11.493 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -15.838 -0.707 11.183 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -17.493 -1.240 11.399 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -15.918 -0.993 8.790 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -16.960 -2.305 9.305 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -17.835 -0.230 7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -18.913 -1.167 8.683 1.00 0.00 H new ATOM 455 N GLU A 217 -15.303 2.016 11.127 1.00 0.00 N ATOM 456 CA GLU A 217 -13.955 2.565 10.931 1.00 0.00 C ATOM 457 C GLU A 217 -12.983 1.527 10.325 1.00 0.00 C ATOM 458 O GLU A 217 -11.755 1.626 10.433 1.00 0.00 O ATOM 459 CB GLU A 217 -13.459 3.109 12.276 1.00 0.00 C ATOM 460 CG GLU A 217 -12.227 4.013 12.115 1.00 0.00 C ATOM 461 CD GLU A 217 -12.256 5.239 13.024 1.00 0.00 C ATOM 462 OE1 GLU A 217 -13.130 6.112 12.806 1.00 0.00 O ATOM 463 OE2 GLU A 217 -11.387 5.347 13.918 1.00 0.00 O ATOM 0 H GLU A 217 -15.531 1.896 12.114 1.00 0.00 H new ATOM 0 HA GLU A 217 -13.995 3.376 10.204 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -14.260 3.671 12.757 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -13.213 2.276 12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -11.329 3.433 12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -12.158 4.340 11.077 1.00 0.00 H new ATOM 470 N ASP A 218 -13.531 0.489 9.693 1.00 0.00 N ATOM 471 CA ASP A 218 -12.807 -0.556 8.990 1.00 0.00 C ATOM 472 C ASP A 218 -13.203 -0.596 7.508 1.00 0.00 C ATOM 473 O ASP A 218 -12.588 -1.332 6.740 1.00 0.00 O ATOM 474 CB ASP A 218 -13.031 -1.919 9.679 1.00 0.00 C ATOM 475 CG ASP A 218 -12.146 -2.115 10.913 1.00 0.00 C ATOM 476 OD1 ASP A 218 -10.899 -2.087 10.756 1.00 0.00 O ATOM 477 OD2 ASP A 218 -12.672 -2.368 12.020 1.00 0.00 O ATOM 0 H ASP A 218 -14.541 0.353 9.659 1.00 0.00 H new ATOM 0 HA ASP A 218 -11.741 -0.332 9.032 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -14.078 -2.005 9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -12.833 -2.718 8.965 1.00 0.00 H new ATOM 482 N TRP A 219 -14.221 0.160 7.067 1.00 0.00 N ATOM 483 CA TRP A 219 -14.692 0.191 5.672 1.00 0.00 C ATOM 484 C TRP A 219 -14.000 1.300 4.894 1.00 0.00 C ATOM 485 O TRP A 219 -13.622 1.119 3.733 1.00 0.00 O ATOM 486 CB TRP A 219 -16.218 0.372 5.653 1.00 0.00 C ATOM 487 CG TRP A 219 -16.891 0.596 4.328 1.00 0.00 C ATOM 488 CD1 TRP A 219 -16.836 1.728 3.582 1.00 0.00 C ATOM 489 CD2 TRP A 219 -17.759 -0.315 3.585 1.00 0.00 C ATOM 490 NE1 TRP A 219 -17.591 1.572 2.438 1.00 0.00 N ATOM 491 CE2 TRP A 219 -18.126 0.320 2.367 1.00 0.00 C ATOM 492 CE3 TRP A 219 -18.268 -1.615 3.789 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -18.887 -0.299 1.380 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -19.071 -2.243 2.813 1.00 0.00 C ATOM 495 CH2 TRP A 219 -19.366 -1.595 1.601 1.00 0.00 C ATOM 0 H TRP A 219 -14.750 0.779 7.681 1.00 0.00 H new ATOM 0 HA TRP A 219 -14.442 -0.753 5.188 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -16.664 -0.513 6.107 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -16.461 1.217 6.297 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -16.284 2.618 3.845 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -17.731 2.299 1.736 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -18.040 -2.138 4.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -19.105 0.214 0.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -19.463 -3.232 2.999 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -19.957 -2.093 0.847 1.00 0.00 H new ATOM 506 N ASP A 220 -13.860 2.446 5.549 1.00 0.00 N ATOM 507 CA ASP A 220 -13.196 3.672 5.137 1.00 0.00 C ATOM 508 C ASP A 220 -11.684 3.474 5.034 1.00 0.00 C ATOM 509 O ASP A 220 -10.911 4.151 5.713 1.00 0.00 O ATOM 510 CB ASP A 220 -13.549 4.793 6.136 1.00 0.00 C ATOM 511 CG ASP A 220 -13.267 4.486 7.617 1.00 0.00 C ATOM 512 OD1 ASP A 220 -12.811 3.373 7.940 1.00 0.00 O ATOM 513 OD2 ASP A 220 -13.719 5.280 8.477 1.00 0.00 O ATOM 0 H ASP A 220 -14.253 2.547 6.485 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.545 3.955 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -12.994 5.689 5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -14.608 5.029 6.029 1.00 0.00 H new ATOM 518 N LYS A 221 -11.237 2.541 4.182 1.00 0.00 N ATOM 519 CA LYS A 221 -9.813 2.304 4.011 1.00 0.00 C ATOM 520 C LYS A 221 -9.101 3.598 3.611 1.00 0.00 C ATOM 521 O LYS A 221 -9.540 4.237 2.650 1.00 0.00 O ATOM 522 CB LYS A 221 -9.530 1.183 3.002 1.00 0.00 C ATOM 523 CG LYS A 221 -9.048 -0.098 3.672 1.00 0.00 C ATOM 524 CD LYS A 221 -10.033 -0.699 4.664 1.00 0.00 C ATOM 525 CE LYS A 221 -11.194 -1.403 3.939 1.00 0.00 C ATOM 526 NZ LYS A 221 -10.754 -2.607 3.196 1.00 0.00 N ATOM 0 H LYS A 221 -11.840 1.949 3.611 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.418 1.971 4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -10.436 0.973 2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -8.778 1.522 2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -8.831 -0.837 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -8.111 0.108 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -9.516 -1.412 5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -10.427 0.086 5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -11.954 -1.687 4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -11.662 -0.704 3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -11.563 -3.246 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -10.377 -2.324 2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -10.013 -3.097 3.737 1.00 0.00 H new ATOM 540 N PRO A 222 -7.973 3.925 4.257 1.00 0.00 N ATOM 541 CA PRO A 222 -7.242 5.166 4.026 1.00 0.00 C ATOM 542 C PRO A 222 -6.806 5.205 2.560 1.00 0.00 C ATOM 543 O PRO A 222 -6.261 4.205 2.091 1.00 0.00 O ATOM 544 CB PRO A 222 -6.071 5.125 5.016 1.00 0.00 C ATOM 545 CG PRO A 222 -5.895 3.660 5.413 1.00 0.00 C ATOM 546 CD PRO A 222 -7.237 2.999 5.107 1.00 0.00 C ATOM 0 HA PRO A 222 -7.824 6.073 4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -5.162 5.516 4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -6.279 5.742 5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -5.088 3.193 4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.641 3.566 6.469 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.092 2.043 4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.787 2.796 6.026 1.00 0.00 H new ATOM 554 N GLU A 223 -7.125 6.257 1.787 1.00 0.00 N ATOM 555 CA GLU A 223 -7.052 6.199 0.320 1.00 0.00 C ATOM 556 C GLU A 223 -5.675 5.758 -0.156 1.00 0.00 C ATOM 557 O GLU A 223 -5.588 4.897 -1.028 1.00 0.00 O ATOM 558 CB GLU A 223 -7.343 7.545 -0.351 1.00 0.00 C ATOM 559 CG GLU A 223 -8.764 8.073 -0.231 1.00 0.00 C ATOM 560 CD GLU A 223 -9.224 8.526 1.153 1.00 0.00 C ATOM 561 OE1 GLU A 223 -8.365 8.887 1.999 1.00 0.00 O ATOM 562 OE2 GLU A 223 -10.464 8.574 1.355 1.00 0.00 O ATOM 0 H GLU A 223 -7.435 7.156 2.155 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.817 5.476 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.667 8.289 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -7.101 7.457 -1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -8.871 8.915 -0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.444 7.294 -0.575 1.00 0.00 H new ATOM 569 N HIS A 224 -4.634 6.366 0.409 1.00 0.00 N ATOM 570 CA HIS A 224 -3.236 6.048 0.159 1.00 0.00 C ATOM 571 C HIS A 224 -2.799 5.030 1.217 1.00 0.00 C ATOM 572 O HIS A 224 -2.846 5.340 2.410 1.00 0.00 O ATOM 573 CB HIS A 224 -2.373 7.324 0.158 1.00 0.00 C ATOM 574 CG HIS A 224 -2.899 8.403 -0.760 1.00 0.00 C ATOM 575 ND1 HIS A 224 -3.919 9.296 -0.492 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.474 8.630 -2.039 1.00 0.00 C ATOM 577 CE1 HIS A 224 -4.089 10.054 -1.585 1.00 0.00 C ATOM 578 NE2 HIS A 224 -3.234 9.686 -2.556 1.00 0.00 N ATOM 0 H HIS A 224 -4.750 7.125 1.081 1.00 0.00 H new ATOM 0 HA HIS A 224 -3.104 5.609 -0.830 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.317 7.717 1.173 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.357 7.066 -0.141 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -1.694 8.092 -2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -4.813 10.851 -1.674 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -3.155 10.096 -3.487 1.00 0.00 H new ATOM 586 N ILE A 225 -2.372 3.838 0.793 1.00 0.00 N ATOM 587 CA ILE A 225 -1.836 2.760 1.623 1.00 0.00 C ATOM 588 C ILE A 225 -0.393 2.435 1.200 1.00 0.00 C ATOM 589 O ILE A 225 -0.048 2.651 0.038 1.00 0.00 O ATOM 590 CB ILE A 225 -2.728 1.507 1.523 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.835 0.954 0.078 1.00 0.00 C ATOM 592 CG2 ILE A 225 -4.124 1.802 2.093 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.413 -0.465 0.012 1.00 0.00 C ATOM 0 H ILE A 225 -2.393 3.587 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.828 3.089 2.662 1.00 0.00 H new ATOM 0 HB ILE A 225 -2.249 0.729 2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.461 1.622 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.845 0.957 -0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.744 0.909 2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -4.036 2.094 3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.584 2.613 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.460 -0.791 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -2.775 -1.145 0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.416 -0.470 0.440 1.00 0.00 H new ATOM 605 N PRO A 226 0.460 1.895 2.084 1.00 0.00 N ATOM 606 CA PRO A 226 1.821 1.522 1.713 1.00 0.00 C ATOM 607 C PRO A 226 1.750 0.254 0.857 1.00 0.00 C ATOM 608 O PRO A 226 0.999 -0.665 1.209 1.00 0.00 O ATOM 609 CB PRO A 226 2.541 1.300 3.043 1.00 0.00 C ATOM 610 CG PRO A 226 1.432 0.860 4.002 1.00 0.00 C ATOM 611 CD PRO A 226 0.168 1.529 3.463 1.00 0.00 C ATOM 0 HA PRO A 226 2.351 2.270 1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.316 0.539 2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 226 3.028 2.212 3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 226 1.330 -0.225 4.019 1.00 0.00 H new ATOM 0 HG3 PRO A 226 1.643 1.176 5.024 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -0.684 0.851 3.514 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -0.089 2.408 4.053 1.00 0.00 H new ATOM 619 N ASP A 227 2.490 0.187 -0.253 1.00 0.00 N ATOM 620 CA ASP A 227 2.253 -0.770 -1.314 1.00 0.00 C ATOM 621 C ASP A 227 2.235 -2.195 -0.767 1.00 0.00 C ATOM 622 O ASP A 227 3.207 -2.622 -0.130 1.00 0.00 O ATOM 623 CB ASP A 227 3.321 -0.714 -2.408 1.00 0.00 C ATOM 624 CG ASP A 227 3.601 0.624 -3.061 1.00 0.00 C ATOM 625 OD1 ASP A 227 3.746 1.607 -2.305 1.00 0.00 O ATOM 626 OD2 ASP A 227 3.771 0.620 -4.302 1.00 0.00 O ATOM 0 H ASP A 227 3.279 0.808 -0.433 1.00 0.00 H new ATOM 0 HA ASP A 227 1.287 -0.502 -1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 227 4.255 -1.079 -1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 227 3.033 -1.414 -3.192 1.00 0.00 H new ATOM 631 N PRO A 228 1.178 -2.978 -1.024 1.00 0.00 N ATOM 632 CA PRO A 228 1.165 -4.380 -0.651 1.00 0.00 C ATOM 633 C PRO A 228 2.098 -5.220 -1.528 1.00 0.00 C ATOM 634 O PRO A 228 2.395 -6.355 -1.156 1.00 0.00 O ATOM 635 CB PRO A 228 -0.301 -4.807 -0.791 1.00 0.00 C ATOM 636 CG PRO A 228 -0.825 -3.891 -1.894 1.00 0.00 C ATOM 637 CD PRO A 228 -0.053 -2.595 -1.691 1.00 0.00 C ATOM 0 HA PRO A 228 1.537 -4.533 0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 228 -0.390 -5.858 -1.064 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -0.851 -4.672 0.140 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.645 -4.313 -2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.900 -3.734 -1.806 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.152 -2.107 -2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 228 -0.623 -1.889 -1.087 1.00 0.00 H new ATOM 645 N ASP A 229 2.564 -4.694 -2.660 1.00 0.00 N ATOM 646 CA ASP A 229 3.525 -5.319 -3.553 1.00 0.00 C ATOM 647 C ASP A 229 4.903 -5.292 -2.895 1.00 0.00 C ATOM 648 O ASP A 229 5.543 -6.331 -2.732 1.00 0.00 O ATOM 649 CB ASP A 229 3.597 -4.617 -4.938 1.00 0.00 C ATOM 650 CG ASP A 229 2.525 -3.585 -5.289 1.00 0.00 C ATOM 651 OD1 ASP A 229 1.326 -3.851 -5.040 1.00 0.00 O ATOM 652 OD2 ASP A 229 2.899 -2.515 -5.828 1.00 0.00 O ATOM 0 H ASP A 229 2.264 -3.777 -2.990 1.00 0.00 H new ATOM 0 HA ASP A 229 3.198 -6.344 -3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 229 4.567 -4.125 -5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 229 3.575 -5.392 -5.704 1.00 0.00 H new ATOM 657 N ALA A 230 5.368 -4.089 -2.544 1.00 0.00 N ATOM 658 CA ALA A 230 6.782 -3.805 -2.377 1.00 0.00 C ATOM 659 C ALA A 230 7.238 -4.188 -0.976 1.00 0.00 C ATOM 660 O ALA A 230 6.569 -3.853 0.007 1.00 0.00 O ATOM 661 CB ALA A 230 7.020 -2.317 -2.615 1.00 0.00 C ATOM 0 H ALA A 230 4.764 -3.286 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 230 7.356 -4.390 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.080 -2.094 -2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 230 6.709 -2.056 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 230 6.441 -1.736 -1.897 1.00 0.00 H new ATOM 667 N LYS A 231 8.381 -4.872 -0.875 1.00 0.00 N ATOM 668 CA LYS A 231 8.891 -5.384 0.399 1.00 0.00 C ATOM 669 C LYS A 231 10.409 -5.299 0.517 1.00 0.00 C ATOM 670 O LYS A 231 11.034 -6.208 1.058 1.00 0.00 O ATOM 671 CB LYS A 231 8.369 -6.810 0.624 1.00 0.00 C ATOM 672 CG LYS A 231 6.859 -6.793 0.893 1.00 0.00 C ATOM 673 CD LYS A 231 6.370 -8.149 1.365 1.00 0.00 C ATOM 674 CE LYS A 231 6.476 -9.118 0.190 1.00 0.00 C ATOM 675 NZ LYS A 231 5.816 -10.399 0.467 1.00 0.00 N ATOM 0 H LYS A 231 8.978 -5.086 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 231 8.513 -4.740 1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.582 -7.424 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 231 8.889 -7.265 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 231 6.630 -6.039 1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 231 6.328 -6.508 -0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 231 6.969 -8.500 2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 231 5.340 -8.083 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 231 6.029 -8.664 -0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 231 7.527 -9.295 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 5.913 -11.025 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 6.259 -10.846 1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 4.807 -10.235 0.660 1.00 0.00 H new ATOM 689 N LYS A 232 11.000 -4.209 0.025 1.00 0.00 N ATOM 690 CA LYS A 232 12.419 -3.929 -0.082 1.00 0.00 C ATOM 691 C LYS A 232 13.077 -4.888 -1.078 1.00 0.00 C ATOM 692 O LYS A 232 12.838 -6.096 -1.043 1.00 0.00 O ATOM 693 CB LYS A 232 13.099 -3.939 1.288 1.00 0.00 C ATOM 694 CG LYS A 232 14.533 -3.395 1.192 1.00 0.00 C ATOM 695 CD LYS A 232 15.227 -3.330 2.554 1.00 0.00 C ATOM 696 CE LYS A 232 16.000 -4.626 2.801 1.00 0.00 C ATOM 697 NZ LYS A 232 17.381 -4.561 2.295 1.00 0.00 N ATOM 0 H LYS A 232 10.442 -3.436 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 232 12.546 -2.919 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 232 12.523 -3.335 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 232 13.117 -4.955 1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 232 15.114 -4.028 0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.511 -2.399 0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 232 15.906 -2.478 2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 232 14.489 -3.179 3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 232 16.017 -4.837 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 232 15.479 -5.454 2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 17.918 -5.380 2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 17.371 -4.573 1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 17.831 -3.684 2.626 1.00 0.00 H new ATOM 711 N PRO A 233 13.871 -4.376 -2.018 1.00 0.00 N ATOM 712 CA PRO A 233 14.664 -5.228 -2.880 1.00 0.00 C ATOM 713 C PRO A 233 15.750 -5.952 -2.072 1.00 0.00 C ATOM 714 O PRO A 233 16.361 -5.386 -1.168 1.00 0.00 O ATOM 715 CB PRO A 233 15.252 -4.299 -3.945 1.00 0.00 C ATOM 716 CG PRO A 233 14.890 -2.872 -3.542 1.00 0.00 C ATOM 717 CD PRO A 233 14.040 -2.963 -2.297 1.00 0.00 C ATOM 0 HA PRO A 233 14.071 -6.016 -3.344 1.00 0.00 H new ATOM 0 HB2 PRO A 233 16.334 -4.419 -4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.848 -4.536 -4.929 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.789 -2.286 -3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.346 -2.372 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.522 -2.457 -1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 233 13.075 -2.479 -2.449 1.00 0.00 H new ATOM 725 N GLU A 234 16.086 -7.178 -2.469 1.00 0.00 N ATOM 726 CA GLU A 234 17.355 -7.829 -2.162 1.00 0.00 C ATOM 727 C GLU A 234 18.531 -7.165 -2.906 1.00 0.00 C ATOM 728 O GLU A 234 19.691 -7.409 -2.605 1.00 0.00 O ATOM 729 CB GLU A 234 17.194 -9.315 -2.512 1.00 0.00 C ATOM 730 CG GLU A 234 17.026 -9.630 -4.012 1.00 0.00 C ATOM 731 CD GLU A 234 16.056 -10.795 -4.239 1.00 0.00 C ATOM 732 OE1 GLU A 234 16.416 -11.971 -3.996 1.00 0.00 O ATOM 733 OE2 GLU A 234 14.885 -10.521 -4.595 1.00 0.00 O ATOM 0 H GLU A 234 15.464 -7.761 -3.029 1.00 0.00 H new ATOM 0 HA GLU A 234 17.598 -7.724 -1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 234 18.066 -9.854 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 234 16.327 -9.704 -1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 234 16.660 -8.744 -4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 234 17.996 -9.874 -4.444 1.00 0.00 H new ATOM 740 N ASP A 235 18.186 -6.299 -3.858 1.00 0.00 N ATOM 741 CA ASP A 235 18.973 -5.376 -4.677 1.00 0.00 C ATOM 742 C ASP A 235 19.090 -3.986 -3.998 1.00 0.00 C ATOM 743 O ASP A 235 19.589 -3.031 -4.582 1.00 0.00 O ATOM 744 CB ASP A 235 18.226 -5.371 -6.032 1.00 0.00 C ATOM 745 CG ASP A 235 18.643 -4.360 -7.104 1.00 0.00 C ATOM 746 OD1 ASP A 235 19.757 -4.506 -7.653 1.00 0.00 O ATOM 747 OD2 ASP A 235 17.728 -3.601 -7.516 1.00 0.00 O ATOM 0 H ASP A 235 17.201 -6.218 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 235 20.014 -5.672 -4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 235 18.321 -6.367 -6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 235 17.168 -5.213 -5.824 1.00 0.00 H new ATOM 752 N TRP A 236 18.596 -3.837 -2.757 1.00 0.00 N ATOM 753 CA TRP A 236 18.744 -2.627 -1.944 1.00 0.00 C ATOM 754 C TRP A 236 20.086 -2.608 -1.201 1.00 0.00 C ATOM 755 O TRP A 236 20.635 -3.671 -0.908 1.00 0.00 O ATOM 756 CB TRP A 236 17.630 -2.582 -0.890 1.00 0.00 C ATOM 757 CG TRP A 236 17.517 -1.294 -0.144 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.958 -1.042 1.112 1.00 0.00 C ATOM 759 CD2 TRP A 236 17.038 -0.024 -0.666 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.776 0.299 1.387 1.00 0.00 N ATOM 761 CE2 TRP A 236 17.203 0.973 0.331 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.543 0.389 -1.917 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.855 2.313 0.108 1.00 0.00 C ATOM 764 CZ3 TRP A 236 16.207 1.733 -2.162 1.00 0.00 C ATOM 765 CH2 TRP A 236 16.355 2.697 -1.147 1.00 0.00 C ATOM 0 H TRP A 236 18.072 -4.573 -2.285 1.00 0.00 H new ATOM 0 HA TRP A 236 18.692 -1.771 -2.617 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.678 -2.785 -1.381 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.796 -3.386 -0.173 1.00 0.00 H new ATOM 0 HD1 TRP A 236 18.382 -1.770 1.787 1.00 0.00 H new ATOM 0 HE1 TRP A 236 18.036 0.739 2.270 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.419 -0.340 -2.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.971 3.044 0.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.834 2.026 -3.132 1.00 0.00 H new ATOM 0 HH2 TRP A 236 16.086 3.726 -1.332 1.00 0.00 H new ATOM 776 N ASP A 237 20.526 -1.425 -0.755 1.00 0.00 N ATOM 777 CA ASP A 237 21.732 -1.241 0.048 1.00 0.00 C ATOM 778 C ASP A 237 21.526 -0.134 1.089 1.00 0.00 C ATOM 779 O ASP A 237 21.432 1.055 0.771 1.00 0.00 O ATOM 780 CB ASP A 237 22.922 -0.954 -0.870 1.00 0.00 C ATOM 781 CG ASP A 237 24.256 -0.899 -0.109 1.00 0.00 C ATOM 782 OD1 ASP A 237 24.233 -0.911 1.146 1.00 0.00 O ATOM 783 OD2 ASP A 237 25.302 -0.864 -0.790 1.00 0.00 O ATOM 0 H ASP A 237 20.038 -0.550 -0.950 1.00 0.00 H new ATOM 0 HA ASP A 237 21.945 -2.157 0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 237 22.978 -1.725 -1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.761 -0.005 -1.382 1.00 0.00 H new ATOM 788 N GLU A 238 21.427 -0.546 2.355 1.00 0.00 N ATOM 789 CA GLU A 238 21.240 0.322 3.515 1.00 0.00 C ATOM 790 C GLU A 238 22.474 1.147 3.874 1.00 0.00 C ATOM 791 O GLU A 238 22.368 2.071 4.684 1.00 0.00 O ATOM 792 CB GLU A 238 20.853 -0.531 4.732 1.00 0.00 C ATOM 793 CG GLU A 238 19.347 -0.810 4.807 1.00 0.00 C ATOM 794 CD GLU A 238 19.026 -2.296 4.916 1.00 0.00 C ATOM 795 OE1 GLU A 238 19.597 -3.005 5.774 1.00 0.00 O ATOM 796 OE2 GLU A 238 18.124 -2.763 4.185 1.00 0.00 O ATOM 0 H GLU A 238 21.477 -1.533 2.608 1.00 0.00 H new ATOM 0 HA GLU A 238 20.451 1.025 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 238 21.392 -1.478 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 238 21.169 -0.022 5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 238 18.928 -0.288 5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 238 18.862 -0.402 3.920 1.00 0.00 H new ATOM 803 N GLU A 239 23.626 0.840 3.295 1.00 0.00 N ATOM 804 CA GLU A 239 24.866 1.580 3.519 1.00 0.00 C ATOM 805 C GLU A 239 25.205 2.438 2.289 1.00 0.00 C ATOM 806 O GLU A 239 26.215 3.146 2.289 1.00 0.00 O ATOM 807 CB GLU A 239 25.971 0.627 4.022 1.00 0.00 C ATOM 808 CG GLU A 239 25.616 0.137 5.445 1.00 0.00 C ATOM 809 CD GLU A 239 26.658 -0.766 6.121 1.00 0.00 C ATOM 810 OE1 GLU A 239 27.832 -0.355 6.253 1.00 0.00 O ATOM 811 OE2 GLU A 239 26.247 -1.846 6.619 1.00 0.00 O ATOM 0 H GLU A 239 23.730 0.059 2.647 1.00 0.00 H new ATOM 0 HA GLU A 239 24.753 2.306 4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 239 26.069 -0.223 3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.933 1.140 4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 239 25.453 1.009 6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 239 24.671 -0.404 5.397 1.00 0.00 H new ATOM 818 N MET A 240 24.310 2.458 1.291 1.00 0.00 N ATOM 819 CA MET A 240 24.369 3.328 0.124 1.00 0.00 C ATOM 820 C MET A 240 23.301 4.416 0.227 1.00 0.00 C ATOM 821 O MET A 240 23.635 5.592 0.093 1.00 0.00 O ATOM 822 CB MET A 240 24.200 2.483 -1.145 1.00 0.00 C ATOM 823 CG MET A 240 24.321 3.287 -2.445 1.00 0.00 C ATOM 824 SD MET A 240 25.935 4.059 -2.760 1.00 0.00 S ATOM 825 CE MET A 240 25.558 4.879 -4.327 1.00 0.00 C ATOM 0 H MET A 240 23.497 1.842 1.281 1.00 0.00 H new ATOM 0 HA MET A 240 25.338 3.825 0.077 1.00 0.00 H new ATOM 0 HB2 MET A 240 24.951 1.693 -1.146 1.00 0.00 H new ATOM 0 HB3 MET A 240 23.225 1.997 -1.119 1.00 0.00 H new ATOM 0 HG2 MET A 240 24.088 2.626 -3.280 1.00 0.00 H new ATOM 0 HG3 MET A 240 23.562 4.070 -2.436 1.00 0.00 H new ATOM 0 HE1 MET A 240 26.441 5.412 -4.680 1.00 0.00 H new ATOM 0 HE2 MET A 240 25.264 4.134 -5.066 1.00 0.00 H new ATOM 0 HE3 MET A 240 24.742 5.586 -4.180 1.00 0.00 H new ATOM 835 N ASP A 241 22.029 4.050 0.442 1.00 0.00 N ATOM 836 CA ASP A 241 20.912 5.012 0.479 1.00 0.00 C ATOM 837 C ASP A 241 20.304 5.148 1.875 1.00 0.00 C ATOM 838 O ASP A 241 19.721 6.186 2.191 1.00 0.00 O ATOM 839 CB ASP A 241 19.825 4.642 -0.540 1.00 0.00 C ATOM 840 CG ASP A 241 18.754 5.738 -0.645 1.00 0.00 C ATOM 841 OD1 ASP A 241 19.026 6.792 -1.277 1.00 0.00 O ATOM 842 OD2 ASP A 241 17.621 5.550 -0.148 1.00 0.00 O ATOM 0 H ASP A 241 21.744 3.083 0.595 1.00 0.00 H new ATOM 0 HA ASP A 241 21.332 5.981 0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 241 20.280 4.482 -1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 241 19.357 3.702 -0.249 1.00 0.00 H new ATOM 847 N GLY A 242 20.484 4.142 2.735 1.00 0.00 N ATOM 848 CA GLY A 242 19.855 4.074 4.052 1.00 0.00 C ATOM 849 C GLY A 242 18.695 3.081 4.056 1.00 0.00 C ATOM 850 O GLY A 242 18.491 2.340 3.098 1.00 0.00 O ATOM 0 H GLY A 242 21.081 3.340 2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 242 20.594 3.778 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 242 19.493 5.062 4.337 1.00 0.00 H new ATOM 854 N GLU A 243 17.950 3.008 5.157 1.00 0.00 N ATOM 855 CA GLU A 243 16.817 2.112 5.316 1.00 0.00 C ATOM 856 C GLU A 243 15.786 2.348 4.211 1.00 0.00 C ATOM 857 O GLU A 243 15.436 3.490 3.895 1.00 0.00 O ATOM 858 CB GLU A 243 16.231 2.297 6.720 1.00 0.00 C ATOM 859 CG GLU A 243 15.008 1.404 6.948 1.00 0.00 C ATOM 860 CD GLU A 243 14.597 1.337 8.421 1.00 0.00 C ATOM 861 OE1 GLU A 243 14.080 2.332 8.976 1.00 0.00 O ATOM 862 OE2 GLU A 243 14.786 0.264 9.043 1.00 0.00 O ATOM 0 H GLU A 243 18.125 3.585 5.980 1.00 0.00 H new ATOM 0 HA GLU A 243 17.139 1.075 5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 243 16.993 2.067 7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 243 15.951 3.341 6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 243 14.172 1.780 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 243 15.225 0.398 6.589 1.00 0.00 H new ATOM 869 N TRP A 244 15.301 1.257 3.621 1.00 0.00 N ATOM 870 CA TRP A 244 14.245 1.313 2.630 1.00 0.00 C ATOM 871 C TRP A 244 12.933 1.712 3.297 1.00 0.00 C ATOM 872 O TRP A 244 12.491 1.093 4.268 1.00 0.00 O ATOM 873 CB TRP A 244 14.085 -0.041 1.961 1.00 0.00 C ATOM 874 CG TRP A 244 13.002 -0.137 0.931 1.00 0.00 C ATOM 875 CD1 TRP A 244 13.102 0.215 -0.369 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.645 -0.636 1.105 1.00 0.00 C ATOM 877 NE1 TRP A 244 11.902 -0.033 -1.008 1.00 0.00 N ATOM 878 CE2 TRP A 244 10.968 -0.568 -0.145 1.00 0.00 C ATOM 879 CE3 TRP A 244 10.922 -1.145 2.200 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.640 -0.994 -0.293 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.608 -1.621 2.054 1.00 0.00 C ATOM 882 CH2 TRP A 244 8.970 -1.552 0.807 1.00 0.00 C ATOM 0 H TRP A 244 15.633 0.314 3.821 1.00 0.00 H new ATOM 0 HA TRP A 244 14.508 2.054 1.875 1.00 0.00 H new ATOM 0 HB2 TRP A 244 15.032 -0.307 1.491 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.893 -0.786 2.733 1.00 0.00 H new ATOM 0 HD1 TRP A 244 13.984 0.627 -0.837 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.728 0.156 -1.995 1.00 0.00 H new ATOM 0 HE3 TRP A 244 11.388 -1.170 3.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.138 -0.894 -1.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 9.089 -2.040 2.903 1.00 0.00 H new ATOM 0 HH2 TRP A 244 7.964 -1.928 0.693 1.00 0.00 H new ATOM 893 N GLU A 245 12.291 2.705 2.705 1.00 0.00 N ATOM 894 CA GLU A 245 10.918 3.111 2.954 1.00 0.00 C ATOM 895 C GLU A 245 10.110 2.764 1.706 1.00 0.00 C ATOM 896 O GLU A 245 10.576 3.075 0.603 1.00 0.00 O ATOM 897 CB GLU A 245 10.855 4.624 3.176 1.00 0.00 C ATOM 898 CG GLU A 245 11.384 5.019 4.555 1.00 0.00 C ATOM 899 CD GLU A 245 11.382 6.536 4.731 1.00 0.00 C ATOM 900 OE1 GLU A 245 11.893 7.272 3.852 1.00 0.00 O ATOM 901 OE2 GLU A 245 10.926 7.034 5.785 1.00 0.00 O ATOM 0 H GLU A 245 12.741 3.284 1.996 1.00 0.00 H new ATOM 0 HA GLU A 245 10.526 2.607 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 245 11.437 5.129 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 245 9.825 4.964 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 245 10.769 4.559 5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 245 12.397 4.636 4.683 1.00 0.00 H new ATOM 908 N PRO A 246 8.925 2.146 1.831 1.00 0.00 N ATOM 909 CA PRO A 246 8.021 1.939 0.708 1.00 0.00 C ATOM 910 C PRO A 246 7.473 3.263 0.136 1.00 0.00 C ATOM 911 O PRO A 246 7.584 4.319 0.766 1.00 0.00 O ATOM 912 CB PRO A 246 6.878 1.059 1.231 1.00 0.00 C ATOM 913 CG PRO A 246 7.139 0.835 2.723 1.00 0.00 C ATOM 914 CD PRO A 246 8.359 1.671 3.078 1.00 0.00 C ATOM 0 HA PRO A 246 8.554 1.465 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.914 1.544 1.076 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.846 0.109 0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 246 6.276 1.136 3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 246 7.317 -0.220 2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 246 8.080 2.508 3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 246 9.087 1.076 3.630 1.00 0.00 H new ATOM 922 N PRO A 247 6.852 3.237 -1.055 1.00 0.00 N ATOM 923 CA PRO A 247 5.918 4.268 -1.507 1.00 0.00 C ATOM 924 C PRO A 247 4.614 4.297 -0.682 1.00 0.00 C ATOM 925 O PRO A 247 4.474 3.622 0.344 1.00 0.00 O ATOM 926 CB PRO A 247 5.645 3.971 -2.988 1.00 0.00 C ATOM 927 CG PRO A 247 6.563 2.804 -3.363 1.00 0.00 C ATOM 928 CD PRO A 247 6.963 2.172 -2.037 1.00 0.00 C ATOM 0 HA PRO A 247 6.351 5.259 -1.370 1.00 0.00 H new ATOM 0 HB2 PRO A 247 4.599 3.710 -3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 247 5.853 4.845 -3.606 1.00 0.00 H new ATOM 0 HG2 PRO A 247 6.048 2.087 -4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 247 7.437 3.151 -3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.309 1.337 -1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 247 7.979 1.780 -2.079 1.00 0.00 H new ATOM 936 N VAL A 248 3.646 5.102 -1.124 1.00 0.00 N ATOM 937 CA VAL A 248 2.249 4.957 -0.777 1.00 0.00 C ATOM 938 C VAL A 248 1.488 4.978 -2.108 1.00 0.00 C ATOM 939 O VAL A 248 1.780 5.826 -2.959 1.00 0.00 O ATOM 940 CB VAL A 248 1.794 6.086 0.176 1.00 0.00 C ATOM 941 CG1 VAL A 248 0.596 5.602 0.984 1.00 0.00 C ATOM 942 CG2 VAL A 248 2.838 6.565 1.192 1.00 0.00 C ATOM 0 H VAL A 248 3.826 5.889 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 248 2.057 4.030 -0.237 1.00 0.00 H new ATOM 0 HB VAL A 248 1.578 6.927 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.269 6.393 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -0.218 5.342 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 248 0.879 4.724 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.411 7.357 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 248 3.135 5.732 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.711 6.947 0.664 1.00 0.00 H new ATOM 952 N ILE A 249 0.506 4.095 -2.300 1.00 0.00 N ATOM 953 CA ILE A 249 -0.322 4.008 -3.504 1.00 0.00 C ATOM 954 C ILE A 249 -1.783 4.169 -3.141 1.00 0.00 C ATOM 955 O ILE A 249 -2.184 3.853 -2.022 1.00 0.00 O ATOM 956 CB ILE A 249 -0.070 2.714 -4.301 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.524 1.448 -3.538 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.410 2.668 -4.689 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.363 0.157 -4.345 1.00 0.00 C ATOM 0 H ILE A 249 0.257 3.398 -1.598 1.00 0.00 H new ATOM 0 HA ILE A 249 -0.036 4.826 -4.165 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.679 2.725 -5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 249 0.050 1.364 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.570 1.561 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 249 1.610 1.758 -5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 249 1.653 3.537 -5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 249 2.023 2.677 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -0.701 -0.690 -3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -0.959 0.220 -5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.686 0.020 -4.607 1.00 0.00 H new ATOM 971 N GLN A 250 -2.589 4.629 -4.095 1.00 0.00 N ATOM 972 CA GLN A 250 -4.024 4.674 -3.905 1.00 0.00 C ATOM 973 C GLN A 250 -4.495 3.215 -3.905 1.00 0.00 C ATOM 974 O GLN A 250 -4.308 2.518 -4.903 1.00 0.00 O ATOM 975 CB GLN A 250 -4.691 5.554 -4.982 1.00 0.00 C ATOM 976 CG GLN A 250 -6.085 6.080 -4.586 1.00 0.00 C ATOM 977 CD GLN A 250 -7.154 4.994 -4.490 1.00 0.00 C ATOM 978 OE1 GLN A 250 -7.728 4.561 -5.484 1.00 0.00 O ATOM 979 NE2 GLN A 250 -7.436 4.493 -3.300 1.00 0.00 N ATOM 0 H GLN A 250 -2.269 4.973 -5.000 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.309 5.142 -2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -4.041 6.402 -5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -4.779 4.979 -5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -6.011 6.588 -3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.402 6.824 -5.316 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -6.961 4.850 -2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -8.128 3.749 -3.211 1.00 0.00 H new ATOM 988 N ASN A 251 -5.070 2.762 -2.787 1.00 0.00 N ATOM 989 CA ASN A 251 -5.548 1.408 -2.536 1.00 0.00 C ATOM 990 C ASN A 251 -6.317 0.879 -3.738 1.00 0.00 C ATOM 991 O ASN A 251 -7.372 1.452 -4.039 1.00 0.00 O ATOM 992 CB ASN A 251 -6.491 1.415 -1.326 1.00 0.00 C ATOM 993 CG ASN A 251 -6.963 0.037 -0.876 1.00 0.00 C ATOM 994 OD1 ASN A 251 -6.770 -0.971 -1.541 1.00 0.00 O ATOM 995 ND2 ASN A 251 -7.628 -0.019 0.263 1.00 0.00 N ATOM 0 H ASN A 251 -5.222 3.374 -1.985 1.00 0.00 H new ATOM 0 HA ASN A 251 -4.685 0.770 -2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -5.985 1.901 -0.492 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -7.364 2.022 -1.567 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -7.989 -0.912 0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -7.781 0.830 0.807 1.00 0.00 H new ATOM 1002 N PRO A 252 -5.862 -0.195 -4.403 1.00 0.00 N ATOM 1003 CA PRO A 252 -6.541 -0.738 -5.572 1.00 0.00 C ATOM 1004 C PRO A 252 -7.791 -1.546 -5.174 1.00 0.00 C ATOM 1005 O PRO A 252 -8.131 -2.541 -5.821 1.00 0.00 O ATOM 1006 CB PRO A 252 -5.455 -1.597 -6.239 1.00 0.00 C ATOM 1007 CG PRO A 252 -4.633 -2.112 -5.066 1.00 0.00 C ATOM 1008 CD PRO A 252 -4.626 -0.914 -4.130 1.00 0.00 C ATOM 0 HA PRO A 252 -6.929 0.026 -6.246 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -5.888 -2.415 -6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -4.847 -1.010 -6.928 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -5.088 -2.988 -4.603 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -3.626 -2.398 -5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -4.579 -1.231 -3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -3.757 -0.281 -4.310 1.00 0.00 H new ATOM 1016 N GLU A 253 -8.573 -1.036 -4.221 1.00 0.00 N ATOM 1017 CA GLU A 253 -9.916 -1.471 -3.878 1.00 0.00 C ATOM 1018 C GLU A 253 -10.758 -0.219 -3.606 1.00 0.00 C ATOM 1019 O GLU A 253 -11.710 -0.024 -4.354 1.00 0.00 O ATOM 1020 CB GLU A 253 -9.937 -2.564 -2.780 1.00 0.00 C ATOM 1021 CG GLU A 253 -10.128 -2.027 -1.357 1.00 0.00 C ATOM 1022 CD GLU A 253 -9.896 -3.040 -0.238 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -10.322 -4.208 -0.371 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -9.375 -2.628 0.829 1.00 0.00 O ATOM 0 H GLU A 253 -8.261 -0.261 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 253 -10.380 -1.998 -4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -10.739 -3.268 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -9.002 -3.123 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -9.449 -1.187 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -11.142 -1.637 -1.267 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.394 0.635 -2.630 1.00 0.00 N ATOM 1032 CA TYR A 254 -11.208 1.698 -2.016 1.00 0.00 C ATOM 1033 C TYR A 254 -12.723 1.457 -2.131 1.00 0.00 C ATOM 1034 O TYR A 254 -13.328 1.793 -3.147 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.812 3.107 -2.498 1.00 0.00 C ATOM 1036 CG TYR A 254 -11.445 4.201 -1.643 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -10.770 4.631 -0.493 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -12.707 4.761 -1.936 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -11.297 5.637 0.326 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -13.274 5.754 -1.104 1.00 0.00 C ATOM 1041 CZ TYR A 254 -12.552 6.206 0.027 1.00 0.00 C ATOM 1042 OH TYR A 254 -13.034 7.195 0.828 1.00 0.00 O ATOM 0 H TYR A 254 -9.459 0.597 -2.223 1.00 0.00 H new ATOM 0 HA TYR A 254 -10.976 1.650 -0.952 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.727 3.208 -2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -11.119 3.235 -3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -9.825 4.178 -0.233 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -13.248 4.426 -2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -10.742 5.977 1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -14.248 6.163 -1.329 1.00 0.00 H new ATOM 0 HH TYR A 254 -12.296 7.774 1.113 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.349 0.893 -1.077 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.783 0.577 -1.102 1.00 0.00 C ATOM 1054 C LYS A 255 -15.600 1.797 -1.503 1.00 0.00 C ATOM 1055 O LYS A 255 -16.432 1.712 -2.410 1.00 0.00 O ATOM 1056 CB LYS A 255 -15.304 -0.012 0.215 1.00 0.00 C ATOM 1057 CG LYS A 255 -14.712 -1.391 0.504 1.00 0.00 C ATOM 1058 CD LYS A 255 -15.388 -1.975 1.741 1.00 0.00 C ATOM 1059 CE LYS A 255 -14.861 -3.380 2.033 1.00 0.00 C ATOM 1060 NZ LYS A 255 -15.466 -3.980 3.239 1.00 0.00 N ATOM 0 H LYS A 255 -12.882 0.650 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 255 -14.906 -0.201 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -15.062 0.665 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -16.391 -0.086 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -14.859 -2.050 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -13.637 -1.313 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -15.208 -1.328 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -16.467 -2.010 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -15.059 -4.023 1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -13.779 -3.338 2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -14.767 -3.992 4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -16.292 -3.418 3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -15.766 -4.953 3.029 1.00 0.00 H new ATOM 1074 N GLY A 256 -15.331 2.921 -0.847 1.00 0.00 N ATOM 1075 CA GLY A 256 -16.081 4.137 -1.038 1.00 0.00 C ATOM 1076 C GLY A 256 -17.494 3.913 -0.569 1.00 0.00 C ATOM 1077 O GLY A 256 -17.688 3.691 0.627 1.00 0.00 O ATOM 0 H GLY A 256 -14.578 3.004 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -15.623 4.954 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -16.073 4.424 -2.089 1.00 0.00 H new ATOM 1081 N GLU A 257 -18.456 3.963 -1.486 1.00 0.00 N ATOM 1082 CA GLU A 257 -19.835 4.225 -1.130 1.00 0.00 C ATOM 1083 C GLU A 257 -20.375 3.080 -0.272 1.00 0.00 C ATOM 1084 O GLU A 257 -20.567 1.961 -0.767 1.00 0.00 O ATOM 1085 CB GLU A 257 -20.673 4.451 -2.400 1.00 0.00 C ATOM 1086 CG GLU A 257 -21.784 5.498 -2.249 1.00 0.00 C ATOM 1087 CD GLU A 257 -23.186 4.979 -1.907 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -23.729 4.109 -2.635 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -23.887 5.663 -1.130 1.00 0.00 O ATOM 0 H GLU A 257 -18.298 3.824 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 257 -19.898 5.136 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -20.009 4.757 -3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -21.122 3.503 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -21.484 6.201 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -21.849 6.061 -3.180 1.00 0.00 H new ATOM 1096 N TRP A 258 -20.555 3.321 1.029 1.00 0.00 N ATOM 1097 CA TRP A 258 -21.139 2.328 1.919 1.00 0.00 C ATOM 1098 C TRP A 258 -22.580 2.078 1.515 1.00 0.00 C ATOM 1099 O TRP A 258 -23.260 2.967 1.000 1.00 0.00 O ATOM 1100 CB TRP A 258 -21.027 2.744 3.388 1.00 0.00 C ATOM 1101 CG TRP A 258 -21.910 1.946 4.299 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -21.597 0.808 4.961 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -23.328 2.166 4.552 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -22.683 0.420 5.720 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -23.791 1.170 5.449 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -24.288 3.073 4.065 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -25.109 1.119 5.908 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -25.632 2.987 4.457 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -26.035 2.044 5.417 1.00 0.00 C ATOM 0 H TRP A 258 -20.303 4.198 1.485 1.00 0.00 H new ATOM 0 HA TRP A 258 -20.579 1.398 1.822 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -19.992 2.636 3.711 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -21.281 3.800 3.480 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -20.652 0.288 4.905 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -22.660 -0.338 6.403 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -23.984 3.849 3.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -25.409 0.376 6.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -26.362 3.650 4.018 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -27.054 2.034 5.774 1.00 0.00 H new ATOM 1120 N LYS A 259 -23.052 0.858 1.779 1.00 0.00 N ATOM 1121 CA LYS A 259 -24.413 0.415 1.560 1.00 0.00 C ATOM 1122 C LYS A 259 -24.738 -0.623 2.645 1.00 0.00 C ATOM 1123 O LYS A 259 -23.822 -1.310 3.104 1.00 0.00 O ATOM 1124 CB LYS A 259 -24.558 -0.166 0.141 1.00 0.00 C ATOM 1125 CG LYS A 259 -23.914 0.685 -0.975 1.00 0.00 C ATOM 1126 CD LYS A 259 -24.391 0.270 -2.373 1.00 0.00 C ATOM 1127 CE LYS A 259 -25.779 0.857 -2.679 1.00 0.00 C ATOM 1128 NZ LYS A 259 -26.181 0.630 -4.083 1.00 0.00 N ATOM 0 H LYS A 259 -22.461 0.124 2.169 1.00 0.00 H new ATOM 0 HA LYS A 259 -25.117 1.244 1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -24.112 -1.161 0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -25.618 -0.288 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -24.151 1.736 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -22.829 0.591 -0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -23.675 0.611 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -24.429 -0.817 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -26.517 0.408 -2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -25.773 1.927 -2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -27.122 1.042 -4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -25.492 1.080 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -26.212 -0.392 -4.274 1.00 0.00 H new ATOM 1142 N PRO A 260 -26.008 -0.779 3.047 1.00 0.00 N ATOM 1143 CA PRO A 260 -26.391 -1.561 4.228 1.00 0.00 C ATOM 1144 C PRO A 260 -26.457 -3.078 3.978 1.00 0.00 C ATOM 1145 O PRO A 260 -27.397 -3.759 4.400 1.00 0.00 O ATOM 1146 CB PRO A 260 -27.771 -1.010 4.586 1.00 0.00 C ATOM 1147 CG PRO A 260 -28.358 -0.559 3.259 1.00 0.00 C ATOM 1148 CD PRO A 260 -27.140 -0.033 2.520 1.00 0.00 C ATOM 0 HA PRO A 260 -25.650 -1.461 5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -28.393 -1.772 5.056 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -27.697 -0.181 5.289 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -28.832 -1.382 2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -29.116 0.213 3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -27.240 -0.181 1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -27.014 1.037 2.684 1.00 0.00 H new ATOM 1156 N ARG A 261 -25.483 -3.644 3.275 1.00 0.00 N ATOM 1157 CA ARG A 261 -25.625 -4.973 2.712 1.00 0.00 C ATOM 1158 C ARG A 261 -24.230 -5.528 2.559 1.00 0.00 C ATOM 1159 O ARG A 261 -23.902 -6.451 3.342 1.00 0.00 O ATOM 1160 CB ARG A 261 -26.423 -4.852 1.399 1.00 0.00 C ATOM 1161 CG ARG A 261 -27.929 -5.090 1.582 1.00 0.00 C ATOM 1162 CD ARG A 261 -28.667 -5.258 0.249 1.00 0.00 C ATOM 1163 NE ARG A 261 -28.352 -6.545 -0.382 1.00 0.00 N ATOM 1164 CZ ARG A 261 -29.029 -7.143 -1.366 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -30.105 -6.583 -1.904 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -28.637 -8.334 -1.807 1.00 0.00 N ATOM 0 H ARG A 261 -24.586 -3.198 3.083 1.00 0.00 H new ATOM 0 HA ARG A 261 -26.184 -5.668 3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -26.267 -3.859 0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -26.033 -5.570 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -28.081 -5.981 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -28.361 -4.252 2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -29.742 -5.187 0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -28.394 -4.445 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 261 -27.529 -7.035 -0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -30.431 -5.677 -1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -30.606 -7.058 -2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -27.822 -8.788 -1.394 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -29.151 -8.794 -2.558 1.00 0.00 H new