USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 330 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 421 SER OG : rot 180:sc= 0 USER MOD Single : A 423 MET CE :methyl -165:sc= -0.0875 (180deg=-0.404) USER MOD Single : A 433 MET CE :methyl -129:sc= 0 (180deg=-0.157) USER MOD Single : A 434 THR OG1 : rot 67:sc= 1.24 USER MOD Single : A 436 GLN : amide:sc= 0.351 X(o=0.35,f=0) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 477 HIS : no HD1:sc=-0.00992 X(o=-0.0099,f=-0.00057) USER MOD Single : A 482 MET CE :methyl 180:sc= -0.0103 (180deg=-0.0103) USER MOD Single : A 483 THR OG1 : rot 180:sc=0.000924 USER MOD Single : A 484 GLN : amide:sc= 0.272 X(o=0.27,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -16.421 -34.380 -17.413 1.00 25.00 N ATOM 114 CA GLU A 419 -17.301 -34.791 -18.506 1.00 25.00 C ATOM 115 C GLU A 419 -17.123 -36.269 -18.820 1.00 25.00 C ATOM 116 O GLU A 419 -18.060 -36.951 -19.173 1.00 25.00 O ATOM 117 CB GLU A 419 -16.974 -34.017 -19.791 1.00 25.00 C ATOM 118 CG GLU A 419 -16.498 -32.591 -19.606 1.00 25.00 C ATOM 119 CD GLU A 419 -17.481 -31.708 -18.871 1.00 25.00 C ATOM 120 OE1 GLU A 419 -17.036 -31.029 -17.921 1.00 25.00 O ATOM 121 OE2 GLU A 419 -18.664 -31.670 -19.236 1.00 25.00 O ATOM 0 HA GLU A 419 -18.322 -34.587 -18.182 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -16.207 -34.567 -20.337 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -17.865 -34.003 -20.419 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -15.555 -32.601 -19.060 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -16.295 -32.156 -20.585 1.00 25.00 H new ATOM 128 N VAL A 420 -15.895 -36.753 -18.701 1.00 25.00 N ATOM 129 CA VAL A 420 -15.573 -38.139 -19.043 1.00 25.00 C ATOM 130 C VAL A 420 -16.211 -39.093 -18.033 1.00 25.00 C ATOM 131 O VAL A 420 -16.628 -40.197 -18.379 1.00 25.00 O ATOM 132 CB VAL A 420 -14.027 -38.353 -19.097 1.00 25.00 C ATOM 133 CG1 VAL A 420 -13.684 -39.769 -19.582 1.00 25.00 C ATOM 134 CG2 VAL A 420 -13.386 -37.326 -20.044 1.00 25.00 C ATOM 0 H VAL A 420 -15.100 -36.207 -18.369 1.00 25.00 H new ATOM 0 HA VAL A 420 -15.979 -38.353 -20.032 1.00 25.00 H new ATOM 0 HB VAL A 420 -13.634 -38.222 -18.089 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -12.601 -39.892 -19.610 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -14.114 -40.502 -18.899 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -14.093 -39.920 -20.581 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -12.308 -37.483 -20.075 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -13.799 -37.447 -21.045 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -13.596 -36.319 -19.684 1.00 25.00 H new ATOM 144 N SER A 421 -16.307 -38.662 -16.786 1.00 25.00 N ATOM 145 CA SER A 421 -16.927 -39.486 -15.756 1.00 25.00 C ATOM 146 C SER A 421 -18.415 -39.644 -16.031 1.00 25.00 C ATOM 147 O SER A 421 -18.977 -40.719 -15.848 1.00 25.00 O ATOM 148 CB SER A 421 -16.744 -38.845 -14.386 1.00 25.00 C ATOM 149 OG SER A 421 -15.367 -38.676 -14.091 1.00 25.00 O ATOM 0 H SER A 421 -15.968 -37.756 -16.462 1.00 25.00 H new ATOM 0 HA SER A 421 -16.447 -40.465 -15.769 1.00 25.00 H new ATOM 0 HB2 SER A 421 -17.248 -37.879 -14.361 1.00 25.00 H new ATOM 0 HB3 SER A 421 -17.211 -39.467 -13.623 1.00 25.00 H new ATOM 0 HG SER A 421 -15.270 -38.262 -13.208 1.00 25.00 H new ATOM 155 N ASP A 422 -19.044 -38.571 -16.484 1.00 25.00 N ATOM 156 CA ASP A 422 -20.469 -38.606 -16.810 1.00 25.00 C ATOM 157 C ASP A 422 -20.679 -39.378 -18.103 1.00 25.00 C ATOM 158 O ASP A 422 -21.664 -40.077 -18.273 1.00 25.00 O ATOM 159 CB ASP A 422 -21.009 -37.187 -16.973 1.00 25.00 C ATOM 160 CG ASP A 422 -22.518 -37.157 -17.103 1.00 25.00 C ATOM 161 OD1 ASP A 422 -23.020 -36.712 -18.155 1.00 25.00 O ATOM 162 OD2 ASP A 422 -23.202 -37.572 -16.142 1.00 25.00 O ATOM 0 H ASP A 422 -18.597 -37.667 -16.635 1.00 25.00 H new ATOM 0 HA ASP A 422 -21.003 -39.099 -15.998 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -20.709 -36.586 -16.115 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -20.561 -36.730 -17.855 1.00 25.00 H new ATOM 167 N MET A 423 -19.724 -39.261 -19.013 1.00 25.00 N ATOM 168 CA MET A 423 -19.793 -39.931 -20.313 1.00 25.00 C ATOM 169 C MET A 423 -19.903 -41.439 -20.144 1.00 25.00 C ATOM 170 O MET A 423 -20.572 -42.107 -20.920 1.00 25.00 O ATOM 171 CB MET A 423 -18.544 -39.595 -21.131 1.00 25.00 C ATOM 172 CG MET A 423 -18.631 -39.947 -22.607 1.00 25.00 C ATOM 173 SD MET A 423 -17.059 -39.604 -23.463 1.00 25.00 S ATOM 174 CE MET A 423 -16.895 -37.804 -23.273 1.00 25.00 C ATOM 0 H MET A 423 -18.881 -38.703 -18.877 1.00 25.00 H new ATOM 0 HA MET A 423 -20.682 -39.578 -20.835 1.00 25.00 H new ATOM 0 HB2 MET A 423 -18.343 -38.528 -21.038 1.00 25.00 H new ATOM 0 HB3 MET A 423 -17.692 -40.118 -20.697 1.00 25.00 H new ATOM 0 HG2 MET A 423 -18.885 -41.001 -22.717 1.00 25.00 H new ATOM 0 HG3 MET A 423 -19.434 -39.375 -23.073 1.00 25.00 H new ATOM 0 HE1 MET A 423 -16.137 -37.433 -23.963 1.00 25.00 H new ATOM 0 HE2 MET A 423 -17.850 -37.327 -23.492 1.00 25.00 H new ATOM 0 HE3 MET A 423 -16.599 -37.572 -22.250 1.00 25.00 H new ATOM 184 N ALA A 424 -19.259 -41.973 -19.117 1.00 25.00 N ATOM 185 CA ALA A 424 -19.319 -43.403 -18.845 1.00 25.00 C ATOM 186 C ALA A 424 -20.760 -43.819 -18.505 1.00 25.00 C ATOM 187 O ALA A 424 -21.208 -44.904 -18.874 1.00 25.00 O ATOM 188 CB ALA A 424 -18.372 -43.753 -17.692 1.00 25.00 C ATOM 0 H ALA A 424 -18.690 -41.440 -18.459 1.00 25.00 H new ATOM 0 HA ALA A 424 -19.005 -43.949 -19.735 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -18.421 -44.824 -17.493 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -17.352 -43.481 -17.963 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -18.668 -43.204 -16.798 1.00 25.00 H new ATOM 194 N ALA A 425 -21.479 -42.947 -17.813 1.00 25.00 N ATOM 195 CA ALA A 425 -22.865 -43.216 -17.452 1.00 25.00 C ATOM 196 C ALA A 425 -23.750 -43.100 -18.697 1.00 25.00 C ATOM 197 O ALA A 425 -24.667 -43.889 -18.879 1.00 25.00 O ATOM 198 CB ALA A 425 -23.333 -42.239 -16.359 1.00 25.00 C ATOM 0 H ALA A 425 -21.126 -42.046 -17.490 1.00 25.00 H new ATOM 0 HA ALA A 425 -22.943 -44.228 -17.056 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -24.370 -42.452 -16.100 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -22.707 -42.355 -15.475 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -23.254 -41.216 -16.727 1.00 25.00 H new ATOM 204 N VAL A 426 -23.463 -42.127 -19.552 1.00 25.00 N ATOM 205 CA VAL A 426 -24.223 -41.945 -20.789 1.00 25.00 C ATOM 206 C VAL A 426 -24.049 -43.163 -21.680 1.00 25.00 C ATOM 207 O VAL A 426 -25.014 -43.680 -22.214 1.00 25.00 O ATOM 208 CB VAL A 426 -23.753 -40.682 -21.571 1.00 25.00 C ATOM 209 CG1 VAL A 426 -24.512 -40.543 -22.895 1.00 25.00 C ATOM 210 CG2 VAL A 426 -23.963 -39.429 -20.728 1.00 25.00 C ATOM 0 H VAL A 426 -22.711 -41.451 -19.415 1.00 25.00 H new ATOM 0 HA VAL A 426 -25.271 -41.816 -20.517 1.00 25.00 H new ATOM 0 HB VAL A 426 -22.691 -40.798 -21.788 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -24.165 -39.654 -23.421 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -24.332 -41.423 -23.512 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -25.580 -40.453 -22.695 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -23.630 -38.554 -21.287 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -25.021 -39.325 -20.488 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -23.388 -39.510 -19.806 1.00 25.00 H new ATOM 220 N GLU A 427 -22.824 -43.636 -21.835 1.00 25.00 N ATOM 221 CA GLU A 427 -22.569 -44.804 -22.674 1.00 25.00 C ATOM 222 C GLU A 427 -23.282 -46.037 -22.127 1.00 25.00 C ATOM 223 O GLU A 427 -23.835 -46.833 -22.885 1.00 25.00 O ATOM 224 CB GLU A 427 -21.069 -45.067 -22.781 1.00 25.00 C ATOM 225 CG GLU A 427 -20.364 -44.090 -23.725 1.00 25.00 C ATOM 226 CD GLU A 427 -18.942 -44.512 -24.071 1.00 25.00 C ATOM 227 OE1 GLU A 427 -18.330 -45.306 -23.330 1.00 25.00 O ATOM 228 OE2 GLU A 427 -18.434 -44.046 -25.122 1.00 25.00 O ATOM 0 H GLU A 427 -21.994 -43.236 -21.397 1.00 25.00 H new ATOM 0 HA GLU A 427 -22.962 -44.596 -23.669 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -20.620 -44.996 -21.790 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -20.907 -46.086 -23.132 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -20.943 -44.000 -24.644 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -20.341 -43.102 -23.265 1.00 25.00 H new ATOM 235 N ALA A 428 -23.295 -46.189 -20.811 1.00 25.00 N ATOM 236 CA ALA A 428 -24.014 -47.297 -20.188 1.00 25.00 C ATOM 237 C ALA A 428 -25.520 -47.156 -20.466 1.00 25.00 C ATOM 238 O ALA A 428 -26.214 -48.149 -20.714 1.00 25.00 O ATOM 239 CB ALA A 428 -23.742 -47.321 -18.679 1.00 25.00 C ATOM 0 H ALA A 428 -22.821 -45.567 -20.156 1.00 25.00 H new ATOM 0 HA ALA A 428 -23.665 -48.238 -20.613 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -24.283 -48.151 -18.225 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -22.673 -47.445 -18.504 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -24.076 -46.384 -18.234 1.00 25.00 H new ATOM 245 N ALA A 429 -26.011 -45.925 -20.433 1.00 25.00 N ATOM 246 CA ALA A 429 -27.414 -45.652 -20.702 1.00 25.00 C ATOM 247 C ALA A 429 -27.753 -45.978 -22.161 1.00 25.00 C ATOM 248 O ALA A 429 -28.792 -46.552 -22.430 1.00 25.00 O ATOM 249 CB ALA A 429 -27.747 -44.187 -20.379 1.00 25.00 C ATOM 0 H ALA A 429 -25.455 -45.097 -20.221 1.00 25.00 H new ATOM 0 HA ALA A 429 -28.022 -46.290 -20.060 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -28.801 -43.999 -20.586 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -27.543 -43.991 -19.326 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -27.134 -43.530 -20.996 1.00 25.00 H new ATOM 255 N GLU A 430 -26.879 -45.629 -23.098 1.00 25.00 N ATOM 256 CA GLU A 430 -27.119 -45.927 -24.519 1.00 25.00 C ATOM 257 C GLU A 430 -27.264 -47.420 -24.702 1.00 25.00 C ATOM 258 O GLU A 430 -28.153 -47.915 -25.404 1.00 25.00 O ATOM 259 CB GLU A 430 -25.947 -45.465 -25.396 1.00 25.00 C ATOM 260 CG GLU A 430 -25.771 -43.988 -25.435 1.00 25.00 C ATOM 261 CD GLU A 430 -25.191 -43.511 -26.763 1.00 25.00 C ATOM 262 OE1 GLU A 430 -24.107 -44.003 -27.157 1.00 25.00 O ATOM 263 OE2 GLU A 430 -25.820 -42.651 -27.418 1.00 25.00 O ATOM 0 H GLU A 430 -26.002 -45.143 -22.909 1.00 25.00 H new ATOM 0 HA GLU A 430 -28.025 -45.399 -24.817 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -25.028 -45.921 -25.028 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -26.100 -45.830 -26.412 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -26.733 -43.505 -25.266 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -25.113 -43.681 -24.622 1.00 25.00 H new ATOM 270 N LEU A 431 -26.376 -48.140 -24.045 1.00 25.00 N ATOM 271 CA LEU A 431 -26.371 -49.597 -24.117 1.00 25.00 C ATOM 272 C LEU A 431 -27.670 -50.202 -23.587 1.00 25.00 C ATOM 273 O LEU A 431 -28.217 -51.113 -24.213 1.00 25.00 O ATOM 274 CB LEU A 431 -25.174 -50.171 -23.350 1.00 25.00 C ATOM 275 CG LEU A 431 -23.804 -49.993 -24.030 1.00 25.00 C ATOM 276 CD1 LEU A 431 -22.691 -50.318 -23.036 1.00 25.00 C ATOM 277 CD2 LEU A 431 -23.670 -50.893 -25.268 1.00 25.00 C ATOM 0 H LEU A 431 -25.646 -47.744 -23.453 1.00 25.00 H new ATOM 0 HA LEU A 431 -26.285 -49.865 -25.170 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -25.136 -49.702 -22.367 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -25.345 -51.235 -23.189 1.00 25.00 H new ATOM 0 HG LEU A 431 -23.720 -48.956 -24.355 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -21.723 -50.191 -23.520 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -22.760 -49.646 -22.180 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -22.795 -51.349 -22.697 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -22.691 -50.742 -25.723 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -23.775 -51.937 -24.972 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -24.448 -50.640 -25.988 1.00 25.00 H new ATOM 289 N GLU A 432 -28.180 -49.730 -22.456 1.00 25.00 N ATOM 290 CA GLU A 432 -29.445 -50.265 -21.939 1.00 25.00 C ATOM 291 C GLU A 432 -30.648 -49.775 -22.757 1.00 25.00 C ATOM 292 O GLU A 432 -31.634 -50.503 -22.914 1.00 25.00 O ATOM 293 CB GLU A 432 -29.631 -50.010 -20.436 1.00 25.00 C ATOM 294 CG GLU A 432 -29.986 -48.596 -20.031 1.00 25.00 C ATOM 295 CD GLU A 432 -30.180 -48.476 -18.529 1.00 25.00 C ATOM 296 OE1 GLU A 432 -29.525 -47.621 -17.901 1.00 25.00 O ATOM 297 OE2 GLU A 432 -30.992 -49.253 -17.975 1.00 25.00 O ATOM 0 H GLU A 432 -27.755 -48.997 -21.888 1.00 25.00 H new ATOM 0 HA GLU A 432 -29.390 -51.347 -22.058 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -30.413 -50.676 -20.071 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -28.710 -50.290 -19.926 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -29.197 -47.916 -20.352 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -30.899 -48.289 -20.542 1.00 25.00 H new ATOM 304 N MET A 433 -30.574 -48.564 -23.298 1.00 25.00 N ATOM 305 CA MET A 433 -31.651 -48.033 -24.138 1.00 25.00 C ATOM 306 C MET A 433 -31.774 -48.902 -25.375 1.00 25.00 C ATOM 307 O MET A 433 -32.872 -49.177 -25.841 1.00 25.00 O ATOM 308 CB MET A 433 -31.374 -46.588 -24.565 1.00 25.00 C ATOM 309 CG MET A 433 -32.535 -45.643 -24.297 1.00 25.00 C ATOM 310 SD MET A 433 -32.921 -45.499 -22.532 1.00 25.00 S ATOM 311 CE MET A 433 -31.551 -44.449 -21.923 1.00 25.00 C ATOM 0 H MET A 433 -29.784 -47.931 -23.173 1.00 25.00 H new ATOM 0 HA MET A 433 -32.576 -48.042 -23.561 1.00 25.00 H new ATOM 0 HB2 MET A 433 -30.491 -46.225 -24.039 1.00 25.00 H new ATOM 0 HB3 MET A 433 -31.140 -46.571 -25.629 1.00 25.00 H new ATOM 0 HG2 MET A 433 -32.296 -44.657 -24.695 1.00 25.00 H new ATOM 0 HG3 MET A 433 -33.417 -45.996 -24.831 1.00 25.00 H new ATOM 0 HE1 MET A 433 -31.089 -44.921 -21.056 1.00 25.00 H new ATOM 0 HE2 MET A 433 -30.807 -44.329 -22.710 1.00 25.00 H new ATOM 0 HE3 MET A 433 -31.940 -43.471 -21.640 1.00 25.00 H new ATOM 321 N THR A 434 -30.641 -49.355 -25.892 1.00 25.00 N ATOM 322 CA THR A 434 -30.626 -50.244 -27.053 1.00 25.00 C ATOM 323 C THR A 434 -31.380 -51.535 -26.729 1.00 25.00 C ATOM 324 O THR A 434 -32.076 -52.086 -27.576 1.00 25.00 O ATOM 325 CB THR A 434 -29.175 -50.579 -27.486 1.00 25.00 C ATOM 326 OG1 THR A 434 -28.456 -49.366 -27.726 1.00 25.00 O ATOM 327 CG2 THR A 434 -29.149 -51.385 -28.776 1.00 25.00 C ATOM 0 H THR A 434 -29.717 -49.123 -25.528 1.00 25.00 H new ATOM 0 HA THR A 434 -31.118 -49.730 -27.879 1.00 25.00 H new ATOM 0 HB THR A 434 -28.722 -51.161 -26.684 1.00 25.00 H new ATOM 0 HG1 THR A 434 -28.336 -48.884 -26.881 1.00 25.00 H new ATOM 0 HG21 THR A 434 -28.116 -51.601 -29.049 1.00 25.00 H new ATOM 0 HG22 THR A 434 -29.690 -52.320 -28.632 1.00 25.00 H new ATOM 0 HG23 THR A 434 -29.622 -50.812 -29.573 1.00 25.00 H new ATOM 335 N ARG A 435 -31.275 -52.022 -25.499 1.00 25.00 N ATOM 336 CA ARG A 435 -32.009 -53.237 -25.124 1.00 25.00 C ATOM 337 C ARG A 435 -33.491 -52.918 -25.131 1.00 25.00 C ATOM 338 O ARG A 435 -34.294 -53.683 -25.643 1.00 25.00 O ATOM 339 CB ARG A 435 -31.621 -53.747 -23.726 1.00 25.00 C ATOM 340 CG ARG A 435 -30.129 -53.889 -23.478 1.00 25.00 C ATOM 341 CD ARG A 435 -29.465 -54.908 -24.385 1.00 25.00 C ATOM 342 NE ARG A 435 -28.012 -54.916 -24.157 1.00 25.00 N ATOM 343 CZ ARG A 435 -27.149 -55.752 -24.722 1.00 25.00 C ATOM 344 NH1 ARG A 435 -27.528 -56.689 -25.557 1.00 25.00 N ATOM 345 NH2 ARG A 435 -25.882 -55.642 -24.437 1.00 25.00 N ATOM 0 H ARG A 435 -30.707 -51.612 -24.758 1.00 25.00 H new ATOM 0 HA ARG A 435 -31.760 -54.018 -25.842 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -32.033 -53.066 -22.981 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -32.093 -54.717 -23.567 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -29.650 -52.920 -23.620 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -29.966 -54.176 -22.439 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -29.876 -55.899 -24.194 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -29.676 -54.671 -25.428 1.00 25.00 H new ATOM 0 HE ARG A 435 -27.636 -54.222 -23.511 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -28.515 -56.794 -25.792 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -26.836 -57.313 -25.972 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -25.566 -54.921 -23.788 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -25.207 -56.277 -24.863 1.00 25.00 H new ATOM 359 N GLN A 436 -33.845 -51.775 -24.566 1.00 25.00 N ATOM 360 CA GLN A 436 -35.244 -51.380 -24.462 1.00 25.00 C ATOM 361 C GLN A 436 -35.917 -51.201 -25.821 1.00 25.00 C ATOM 362 O GLN A 436 -37.040 -51.651 -26.010 1.00 25.00 O ATOM 363 CB GLN A 436 -35.376 -50.121 -23.636 1.00 25.00 C ATOM 364 CG GLN A 436 -35.409 -50.456 -22.167 1.00 25.00 C ATOM 365 CD GLN A 436 -35.029 -49.299 -21.326 1.00 25.00 C ATOM 366 OE1 GLN A 436 -35.867 -48.597 -20.789 1.00 25.00 O ATOM 367 NE2 GLN A 436 -33.760 -49.082 -21.210 1.00 25.00 N ATOM 0 H GLN A 436 -33.185 -51.104 -24.172 1.00 25.00 H new ATOM 0 HA GLN A 436 -35.764 -52.198 -23.963 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -34.540 -49.453 -23.844 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -36.286 -49.590 -23.915 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -36.410 -50.790 -21.894 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -34.731 -51.286 -21.969 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -33.093 -49.696 -21.677 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -33.426 -48.297 -20.651 1.00 25.00 H new ATOM 376 N VAL A 437 -35.245 -50.564 -26.771 1.00 25.00 N ATOM 377 CA VAL A 437 -35.841 -50.356 -28.095 1.00 25.00 C ATOM 378 C VAL A 437 -35.996 -51.673 -28.851 1.00 25.00 C ATOM 379 O VAL A 437 -36.994 -51.889 -29.524 1.00 25.00 O ATOM 380 CB VAL A 437 -35.049 -49.318 -28.963 1.00 25.00 C ATOM 381 CG1 VAL A 437 -35.133 -47.925 -28.319 1.00 25.00 C ATOM 382 CG2 VAL A 437 -33.598 -49.705 -29.161 1.00 25.00 C ATOM 0 H VAL A 437 -34.304 -50.187 -26.659 1.00 25.00 H new ATOM 0 HA VAL A 437 -36.831 -49.937 -27.916 1.00 25.00 H new ATOM 0 HB VAL A 437 -35.515 -49.305 -29.948 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -34.581 -47.209 -28.927 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -36.176 -47.617 -28.254 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -34.702 -47.960 -27.319 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -33.100 -48.950 -29.769 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -33.104 -49.774 -28.192 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -33.544 -50.670 -29.665 1.00 25.00 H new ATOM 392 N LEU A 438 -35.027 -52.567 -28.725 1.00 25.00 N ATOM 393 CA LEU A 438 -35.111 -53.868 -29.391 1.00 25.00 C ATOM 394 C LEU A 438 -36.244 -54.700 -28.800 1.00 25.00 C ATOM 395 O LEU A 438 -36.907 -55.446 -29.513 1.00 25.00 O ATOM 396 CB LEU A 438 -33.787 -54.628 -29.261 1.00 25.00 C ATOM 397 CG LEU A 438 -32.623 -54.086 -30.110 1.00 25.00 C ATOM 398 CD1 LEU A 438 -31.331 -54.802 -29.715 1.00 25.00 C ATOM 399 CD2 LEU A 438 -32.878 -54.269 -31.611 1.00 25.00 C ATOM 0 H LEU A 438 -34.180 -52.423 -28.175 1.00 25.00 H new ATOM 0 HA LEU A 438 -35.314 -53.694 -30.448 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -33.485 -54.618 -28.214 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -33.958 -55.669 -29.534 1.00 25.00 H new ATOM 0 HG LEU A 438 -32.535 -53.017 -29.918 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -30.505 -54.420 -30.315 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -31.125 -54.625 -28.659 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -31.441 -55.872 -29.889 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -32.033 -53.873 -32.175 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -32.998 -55.329 -31.833 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -33.785 -53.734 -31.894 1.00 25.00 H new ATOM 720 N ALA A 462 -19.101 -34.505 -46.489 1.00 25.00 N ATOM 721 CA ALA A 462 -18.045 -34.278 -45.513 1.00 25.00 C ATOM 722 C ALA A 462 -18.488 -34.745 -44.119 1.00 25.00 C ATOM 723 O ALA A 462 -17.740 -35.431 -43.424 1.00 25.00 O ATOM 724 CB ALA A 462 -17.670 -32.794 -45.486 1.00 25.00 C ATOM 0 HA ALA A 462 -17.169 -34.858 -45.804 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -16.879 -32.632 -44.753 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -17.319 -32.489 -46.472 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -18.544 -32.203 -45.213 1.00 25.00 H new ATOM 730 N LEU A 463 -19.700 -34.384 -43.711 1.00 25.00 N ATOM 731 CA LEU A 463 -20.193 -34.776 -42.393 1.00 25.00 C ATOM 732 C LEU A 463 -20.388 -36.284 -42.314 1.00 25.00 C ATOM 733 O LEU A 463 -20.106 -36.874 -41.293 1.00 25.00 O ATOM 734 CB LEU A 463 -21.470 -33.997 -42.015 1.00 25.00 C ATOM 735 CG LEU A 463 -22.876 -34.580 -42.261 1.00 25.00 C ATOM 736 CD1 LEU A 463 -23.336 -35.530 -41.148 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.858 -33.433 -42.355 1.00 25.00 C ATOM 0 H LEU A 463 -20.352 -33.828 -44.264 1.00 25.00 H new ATOM 0 HA LEU A 463 -19.438 -34.511 -41.653 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -21.402 -33.776 -40.950 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -21.426 -33.044 -42.542 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.834 -35.159 -43.183 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -24.332 -35.907 -41.380 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.641 -36.366 -41.073 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -23.362 -34.993 -40.200 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.860 -33.825 -42.529 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.847 -32.867 -41.423 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -23.576 -32.779 -43.180 1.00 25.00 H new ATOM 749 N GLN A 464 -20.842 -36.920 -43.385 1.00 25.00 N ATOM 750 CA GLN A 464 -20.999 -38.375 -43.385 1.00 25.00 C ATOM 751 C GLN A 464 -19.662 -39.053 -43.129 1.00 25.00 C ATOM 752 O GLN A 464 -19.593 -40.079 -42.457 1.00 25.00 O ATOM 753 CB GLN A 464 -21.593 -38.842 -44.706 1.00 25.00 C ATOM 754 CG GLN A 464 -23.065 -38.505 -44.835 1.00 25.00 C ATOM 755 CD GLN A 464 -23.609 -38.889 -46.177 1.00 25.00 C ATOM 756 OE1 GLN A 464 -23.607 -38.108 -47.123 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.066 -40.098 -46.274 1.00 25.00 N ATOM 0 H GLN A 464 -21.106 -36.462 -44.257 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.683 -38.652 -42.583 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -21.045 -38.382 -45.529 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.461 -39.920 -44.798 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.625 -39.020 -44.055 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -23.208 -37.436 -44.677 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.049 -40.716 -45.463 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.442 -40.431 -47.162 1.00 25.00 H new ATOM 766 N GLY A 465 -18.600 -38.457 -43.642 1.00 25.00 N ATOM 767 CA GLY A 465 -17.268 -38.966 -43.400 1.00 25.00 C ATOM 768 C GLY A 465 -16.952 -38.776 -41.936 1.00 25.00 C ATOM 769 O GLY A 465 -16.538 -39.703 -41.270 1.00 25.00 O ATOM 0 H GLY A 465 -18.637 -37.622 -44.227 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.209 -40.021 -43.668 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.541 -38.439 -44.018 1.00 25.00 H new ATOM 773 N ALA A 466 -17.177 -37.572 -41.430 1.00 25.00 N ATOM 774 CA ALA A 466 -16.914 -37.246 -40.027 1.00 25.00 C ATOM 775 C ALA A 466 -17.630 -38.191 -39.047 1.00 25.00 C ATOM 776 O ALA A 466 -17.092 -38.521 -38.001 1.00 25.00 O ATOM 777 CB ALA A 466 -17.328 -35.797 -39.757 1.00 25.00 C ATOM 0 H ALA A 466 -17.546 -36.793 -41.975 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.845 -37.374 -39.858 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -17.133 -35.551 -38.713 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.755 -35.129 -40.400 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.391 -35.677 -39.966 1.00 25.00 H new ATOM 783 N GLN A 467 -18.829 -38.630 -39.389 1.00 25.00 N ATOM 784 CA GLN A 467 -19.562 -39.565 -38.535 1.00 25.00 C ATOM 785 C GLN A 467 -18.961 -40.967 -38.627 1.00 25.00 C ATOM 786 O GLN A 467 -18.801 -41.654 -37.622 1.00 25.00 O ATOM 787 CB GLN A 467 -21.014 -39.645 -38.984 1.00 25.00 C ATOM 788 CG GLN A 467 -21.806 -38.330 -38.903 1.00 25.00 C ATOM 789 CD GLN A 467 -22.072 -37.839 -37.497 1.00 25.00 C ATOM 790 OE1 GLN A 467 -21.819 -38.513 -36.518 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.580 -36.636 -37.402 1.00 25.00 N ATOM 0 H GLN A 467 -19.317 -38.360 -40.243 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.497 -39.203 -37.509 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.038 -40.000 -40.014 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.523 -40.393 -38.377 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.260 -37.558 -39.446 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.760 -38.464 -39.413 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.780 -36.099 -38.246 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.776 -36.236 -36.484 1.00 25.00 H new ATOM 800 N ALA A 468 -18.639 -41.397 -39.841 1.00 25.00 N ATOM 801 CA ALA A 468 -18.083 -42.729 -40.050 1.00 25.00 C ATOM 802 C ALA A 468 -16.736 -42.850 -39.337 1.00 25.00 C ATOM 803 O ALA A 468 -16.447 -43.854 -38.687 1.00 25.00 O ATOM 804 CB ALA A 468 -17.923 -43.002 -41.553 1.00 25.00 C ATOM 0 H ALA A 468 -18.752 -40.846 -40.692 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.765 -43.470 -39.633 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.507 -43.999 -41.699 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -18.896 -42.940 -42.040 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.252 -42.261 -41.988 1.00 25.00 H new ATOM 810 N VAL A 469 -15.913 -41.819 -39.451 1.00 25.00 N ATOM 811 CA VAL A 469 -14.613 -41.839 -38.796 1.00 25.00 C ATOM 812 C VAL A 469 -14.788 -41.735 -37.295 1.00 25.00 C ATOM 813 O VAL A 469 -13.998 -42.285 -36.572 1.00 25.00 O ATOM 814 CB VAL A 469 -13.638 -40.727 -39.307 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.469 -40.831 -40.820 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.108 -39.345 -38.926 1.00 25.00 C ATOM 0 H VAL A 469 -16.116 -40.971 -39.981 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.150 -42.792 -39.054 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.674 -40.888 -38.824 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.789 -40.052 -41.164 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.060 -41.809 -41.074 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.438 -40.706 -41.304 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.402 -38.604 -39.301 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.091 -39.162 -39.361 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.172 -39.269 -37.841 1.00 25.00 H new ATOM 826 N ALA A 470 -15.817 -41.048 -36.816 1.00 25.00 N ATOM 827 CA ALA A 470 -16.020 -40.903 -35.369 1.00 25.00 C ATOM 828 C ALA A 470 -16.156 -42.270 -34.694 1.00 25.00 C ATOM 829 O ALA A 470 -15.643 -42.475 -33.592 1.00 25.00 O ATOM 830 CB ALA A 470 -17.251 -40.037 -35.070 1.00 25.00 C ATOM 0 H ALA A 470 -16.519 -40.586 -37.394 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.141 -40.404 -34.961 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.378 -39.946 -33.991 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.113 -39.047 -35.504 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.137 -40.503 -35.502 1.00 25.00 H new ATOM 836 N ALA A 471 -16.822 -43.204 -35.360 1.00 25.00 N ATOM 837 CA ALA A 471 -16.958 -44.558 -34.832 1.00 25.00 C ATOM 838 C ALA A 471 -15.575 -45.215 -34.738 1.00 25.00 C ATOM 839 O ALA A 471 -15.287 -45.943 -33.798 1.00 25.00 O ATOM 840 CB ALA A 471 -17.891 -45.380 -35.729 1.00 25.00 C ATOM 0 H ALA A 471 -17.275 -43.052 -36.261 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.393 -44.517 -33.834 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.986 -46.389 -35.327 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.873 -44.908 -35.762 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.478 -45.428 -36.736 1.00 25.00 H new ATOM 846 N ALA A 472 -14.716 -44.935 -35.707 1.00 25.00 N ATOM 847 CA ALA A 472 -13.353 -45.459 -35.700 1.00 25.00 C ATOM 848 C ALA A 472 -12.498 -44.767 -34.625 1.00 25.00 C ATOM 849 O ALA A 472 -11.593 -45.371 -34.071 1.00 25.00 O ATOM 850 CB ALA A 472 -12.715 -45.292 -37.088 1.00 25.00 C ATOM 0 H ALA A 472 -14.937 -44.347 -36.511 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.397 -46.521 -35.458 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.699 -45.686 -37.071 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.303 -45.836 -37.827 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.690 -44.235 -37.352 1.00 25.00 H new ATOM 856 N GLN A 473 -12.774 -43.502 -34.340 1.00 25.00 N ATOM 857 CA GLN A 473 -12.000 -42.754 -33.353 1.00 25.00 C ATOM 858 C GLN A 473 -12.305 -43.245 -31.948 1.00 25.00 C ATOM 859 O GLN A 473 -11.402 -43.454 -31.147 1.00 25.00 O ATOM 860 CB GLN A 473 -12.302 -41.246 -33.419 1.00 25.00 C ATOM 861 CG GLN A 473 -11.998 -40.561 -34.753 1.00 25.00 C ATOM 862 CD GLN A 473 -10.540 -40.273 -34.997 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.712 -40.325 -34.107 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.225 -39.953 -36.227 1.00 25.00 N ATOM 0 H GLN A 473 -13.527 -42.970 -34.777 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.948 -42.918 -33.587 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.357 -41.096 -33.188 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.730 -40.746 -32.637 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.370 -41.190 -35.562 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.552 -39.623 -34.798 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.947 -39.920 -36.946 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.257 -39.737 -36.466 1.00 25.00 H new ATOM 873 N ARG A 474 -13.578 -43.447 -31.636 1.00 25.00 N ATOM 874 CA ARG A 474 -13.932 -43.973 -30.312 1.00 25.00 C ATOM 875 C ARG A 474 -13.390 -45.393 -30.185 1.00 25.00 C ATOM 876 O ARG A 474 -13.066 -45.848 -29.097 1.00 25.00 O ATOM 877 CB ARG A 474 -15.448 -43.919 -30.057 1.00 25.00 C ATOM 878 CG ARG A 474 -16.299 -44.754 -30.996 1.00 25.00 C ATOM 879 CD ARG A 474 -17.786 -44.631 -30.683 1.00 25.00 C ATOM 880 NE ARG A 474 -18.180 -45.445 -29.515 1.00 25.00 N ATOM 881 CZ ARG A 474 -18.335 -45.003 -28.268 1.00 25.00 C ATOM 882 NH1 ARG A 474 -18.171 -43.753 -27.928 1.00 25.00 N ATOM 883 NH2 ARG A 474 -18.656 -45.844 -27.332 1.00 25.00 N ATOM 0 H ARG A 474 -14.367 -43.263 -32.256 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.476 -43.344 -29.548 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.639 -44.246 -29.035 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.774 -42.881 -30.126 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.118 -44.441 -32.024 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -15.999 -45.799 -30.924 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.030 -43.586 -30.494 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.365 -44.942 -31.552 1.00 25.00 H new ATOM 0 HE ARG A 474 -18.349 -46.438 -29.679 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -17.912 -43.063 -28.633 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -18.302 -43.467 -26.958 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -18.787 -46.831 -27.556 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -18.778 -45.518 -26.373 1.00 25.00 H new ATOM 897 N LEU A 475 -13.275 -46.077 -31.313 1.00 25.00 N ATOM 898 CA LEU A 475 -12.727 -47.425 -31.344 1.00 25.00 C ATOM 899 C LEU A 475 -11.226 -47.404 -31.046 1.00 25.00 C ATOM 900 O LEU A 475 -10.767 -48.139 -30.183 1.00 25.00 O ATOM 901 CB LEU A 475 -13.013 -48.053 -32.720 1.00 25.00 C ATOM 902 CG LEU A 475 -11.958 -48.981 -33.340 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.838 -50.282 -32.536 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.315 -49.307 -34.777 1.00 25.00 C ATOM 0 H LEU A 475 -13.556 -45.718 -32.225 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.203 -48.030 -30.573 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.943 -48.616 -32.640 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.193 -47.240 -33.424 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.001 -48.461 -33.317 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.085 -50.924 -32.993 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.545 -50.051 -31.512 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.799 -50.796 -32.531 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.556 -49.965 -35.200 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.285 -49.804 -34.807 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.361 -48.386 -35.358 1.00 25.00 H new ATOM 916 N VAL A 476 -10.453 -46.586 -31.751 1.00 25.00 N ATOM 917 CA VAL A 476 -8.999 -46.581 -31.560 1.00 25.00 C ATOM 918 C VAL A 476 -8.675 -46.150 -30.138 1.00 25.00 C ATOM 919 O VAL A 476 -7.742 -46.656 -29.511 1.00 25.00 O ATOM 920 CB VAL A 476 -8.262 -45.715 -32.631 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.657 -44.261 -32.577 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.742 -45.860 -32.495 1.00 25.00 C ATOM 0 H VAL A 476 -10.796 -45.927 -32.449 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.626 -47.595 -31.705 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.572 -46.094 -33.605 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.114 -43.708 -33.343 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.729 -44.168 -32.753 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.414 -43.854 -31.595 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.249 -45.248 -33.251 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.432 -45.531 -31.503 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.462 -46.904 -32.634 1.00 25.00 H new ATOM 932 N HIS A 477 -9.473 -45.234 -29.619 1.00 25.00 N ATOM 933 CA HIS A 477 -9.315 -44.758 -28.271 1.00 25.00 C ATOM 934 C HIS A 477 -9.526 -45.891 -27.280 1.00 25.00 C ATOM 935 O HIS A 477 -8.839 -45.961 -26.277 1.00 25.00 O ATOM 936 CB HIS A 477 -10.316 -43.644 -28.012 1.00 25.00 C ATOM 937 CG HIS A 477 -10.077 -42.922 -26.727 1.00 25.00 C ATOM 938 ND1 HIS A 477 -11.041 -42.654 -25.787 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.928 -42.416 -26.208 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.464 -42.013 -24.773 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.174 -41.837 -24.980 1.00 25.00 N ATOM 0 H HIS A 477 -10.246 -44.804 -30.126 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.303 -44.375 -28.143 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.276 -42.930 -28.835 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.322 -44.064 -28.003 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.961 -42.461 -26.688 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.988 -41.678 -23.890 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.504 -41.374 -24.366 1.00 25.00 H new ATOM 949 N ALA A 478 -10.461 -46.787 -27.564 1.00 25.00 N ATOM 950 CA ALA A 478 -10.732 -47.890 -26.655 1.00 25.00 C ATOM 951 C ALA A 478 -9.476 -48.741 -26.469 1.00 25.00 C ATOM 952 O ALA A 478 -9.110 -49.071 -25.349 1.00 25.00 O ATOM 953 CB ALA A 478 -11.889 -48.745 -27.184 1.00 25.00 C ATOM 0 H ALA A 478 -11.037 -46.773 -28.405 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.021 -47.483 -25.686 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.080 -49.566 -26.493 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.785 -48.130 -27.273 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.626 -49.147 -28.162 1.00 25.00 H new ATOM 959 N ILE A 479 -8.806 -49.086 -27.560 1.00 25.00 N ATOM 960 CA ILE A 479 -7.610 -49.929 -27.465 1.00 25.00 C ATOM 961 C ILE A 479 -6.489 -49.153 -26.805 1.00 25.00 C ATOM 962 O ILE A 479 -5.707 -49.712 -26.053 1.00 25.00 O ATOM 963 CB ILE A 479 -7.106 -50.421 -28.840 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.240 -51.078 -29.629 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.955 -51.443 -28.679 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.476 -50.379 -30.901 1.00 25.00 C ATOM 0 H ILE A 479 -9.059 -48.804 -28.507 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.894 -50.801 -26.876 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.740 -49.548 -29.381 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.994 -52.122 -29.825 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.153 -51.072 -29.033 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.620 -51.772 -29.663 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.124 -50.975 -28.151 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.309 -52.303 -28.110 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.287 -50.868 -31.440 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.746 -49.342 -30.702 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.570 -50.408 -31.506 1.00 25.00 H new ATOM 978 N ALA A 480 -6.421 -47.858 -27.070 1.00 25.00 N ATOM 979 CA ALA A 480 -5.389 -47.018 -26.482 1.00 25.00 C ATOM 980 C ALA A 480 -5.472 -47.084 -24.955 1.00 25.00 C ATOM 981 O ALA A 480 -4.481 -46.898 -24.266 1.00 25.00 O ATOM 982 CB ALA A 480 -5.547 -45.578 -26.971 1.00 25.00 C ATOM 0 H ALA A 480 -7.067 -47.366 -27.687 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.409 -47.381 -26.791 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.771 -44.955 -26.526 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.456 -45.550 -28.057 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.527 -45.200 -26.679 1.00 25.00 H new ATOM 988 N LEU A 481 -6.660 -47.346 -24.432 1.00 25.00 N ATOM 989 CA LEU A 481 -6.841 -47.512 -22.984 1.00 25.00 C ATOM 990 C LEU A 481 -6.448 -48.904 -22.551 1.00 25.00 C ATOM 991 O LEU A 481 -5.782 -49.085 -21.540 1.00 25.00 O ATOM 992 CB LEU A 481 -8.283 -47.242 -22.580 1.00 25.00 C ATOM 993 CG LEU A 481 -8.686 -45.839 -23.009 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.194 -45.771 -23.167 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.198 -44.771 -22.037 1.00 25.00 C ATOM 0 H LEU A 481 -7.514 -47.449 -24.979 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.195 -46.788 -22.487 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.943 -47.977 -23.041 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.394 -47.348 -21.501 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.207 -45.632 -23.966 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.483 -44.766 -23.474 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.513 -46.488 -23.924 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.671 -46.011 -22.216 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.512 -43.788 -22.389 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.623 -44.956 -21.050 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.110 -44.804 -21.976 1.00 25.00 H new ATOM 1007 N MET A 482 -6.866 -49.893 -23.329 1.00 25.00 N ATOM 1008 CA MET A 482 -6.588 -51.299 -23.022 1.00 25.00 C ATOM 1009 C MET A 482 -5.119 -51.583 -22.956 1.00 25.00 C ATOM 1010 O MET A 482 -4.692 -52.527 -22.311 1.00 25.00 O ATOM 1011 CB MET A 482 -7.178 -52.217 -24.090 1.00 25.00 C ATOM 1012 CG MET A 482 -8.637 -52.081 -24.166 1.00 25.00 C ATOM 1013 SD MET A 482 -9.483 -53.525 -24.833 1.00 25.00 S ATOM 1014 CE MET A 482 -9.303 -53.247 -26.588 1.00 25.00 C ATOM 0 H MET A 482 -7.403 -49.751 -24.184 1.00 25.00 H new ATOM 0 HA MET A 482 -7.043 -51.488 -22.050 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.738 -51.980 -25.059 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.919 -53.252 -23.866 1.00 25.00 H new ATOM 0 HG2 MET A 482 -9.024 -51.877 -23.167 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.878 -51.216 -24.784 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.778 -54.061 -27.136 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.777 -52.303 -26.857 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.244 -53.207 -26.843 1.00 25.00 H new ATOM 1024 N THR A 483 -4.333 -50.775 -23.631 1.00 25.00 N ATOM 1025 CA THR A 483 -2.894 -51.039 -23.664 1.00 25.00 C ATOM 1026 C THR A 483 -2.249 -50.566 -22.370 1.00 25.00 C ATOM 1027 O THR A 483 -1.194 -51.060 -21.966 1.00 25.00 O ATOM 1028 CB THR A 483 -2.251 -50.392 -24.882 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.596 -49.008 -24.916 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.767 -51.059 -26.159 1.00 25.00 C ATOM 0 H THR A 483 -4.642 -49.954 -24.151 1.00 25.00 H new ATOM 0 HA THR A 483 -2.734 -52.114 -23.749 1.00 25.00 H new ATOM 0 HB THR A 483 -1.169 -50.510 -24.819 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.183 -48.587 -25.698 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.303 -50.591 -27.027 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.517 -52.120 -26.142 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.849 -50.942 -26.219 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.900 -49.621 -21.709 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.428 -49.089 -20.433 1.00 25.00 C ATOM 1040 C GLN A 484 -2.991 -49.885 -19.281 1.00 25.00 C ATOM 1041 O GLN A 484 -2.279 -50.239 -18.348 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.851 -47.635 -20.304 1.00 25.00 C ATOM 1043 CG GLN A 484 -2.511 -46.905 -21.549 1.00 25.00 C ATOM 1044 CD GLN A 484 -2.610 -45.405 -21.414 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -2.008 -44.803 -20.542 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -3.381 -44.797 -22.275 1.00 25.00 N ATOM 0 H GLN A 484 -3.769 -49.200 -22.038 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.341 -49.162 -20.405 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -3.923 -47.573 -20.115 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.350 -47.174 -19.452 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -1.497 -47.169 -21.850 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -3.176 -47.235 -22.347 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -3.869 -45.335 -22.991 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -3.495 -43.784 -22.231 1.00 25.00 H new ATOM 1055 N PHE A 485 -4.276 -50.190 -19.370 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.951 -51.008 -18.381 1.00 25.00 C ATOM 1057 C PHE A 485 -4.384 -52.416 -18.444 1.00 25.00 C ATOM 1058 O PHE A 485 -4.495 -53.186 -17.497 1.00 25.00 O ATOM 1059 CB PHE A 485 -6.442 -51.041 -18.703 1.00 25.00 C ATOM 1060 CG PHE A 485 -7.236 -49.966 -18.012 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.543 -48.760 -18.671 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.694 -50.161 -16.695 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.302 -47.753 -18.022 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -8.453 -49.161 -16.036 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.757 -47.956 -16.703 1.00 25.00 C ATOM 0 H PHE A 485 -4.878 -49.876 -20.131 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.803 -50.597 -17.382 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.574 -50.941 -19.780 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.844 -52.014 -18.421 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -7.197 -48.600 -19.681 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -7.465 -51.083 -16.181 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.531 -46.832 -18.537 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.798 -49.322 -15.025 1.00 25.00 H new ATOM 0 HZ PHE A 485 -9.336 -47.192 -16.205 1.00 25.00 H new