USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=6 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 -119:sc= -0.104 (180deg=-0.509) USER MOD Single : A 433 MET CE :methyl 165:sc=-0.00645 (180deg=-0.178) USER MOD Single : A 434 THR OG1 : rot 65:sc= 1.11 USER MOD Single : A 436 GLN : amide:sc= 0.196 X(o=0.2,f=-0.006) USER MOD Single : A 464 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 467 GLN : amide:sc= -0.0731 X(o=-0.073,f=-0.068) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 477 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 482 MET CE :methyl 177:sc=-8.34e-05 (180deg=-0.0175) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.349 X(o=0.35,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 4.369 -44.330 -40.450 1.00 25.00 N ATOM 114 CA GLU A 419 4.225 -43.499 -41.647 1.00 25.00 C ATOM 115 C GLU A 419 3.040 -42.565 -41.459 1.00 25.00 C ATOM 116 O GLU A 419 3.074 -41.412 -41.840 1.00 25.00 O ATOM 117 CB GLU A 419 3.995 -44.336 -42.912 1.00 25.00 C ATOM 118 CG GLU A 419 4.535 -45.762 -42.884 1.00 25.00 C ATOM 119 CD GLU A 419 6.000 -45.878 -42.489 1.00 25.00 C ATOM 120 OE1 GLU A 419 6.275 -46.698 -41.577 1.00 25.00 O ATOM 121 OE2 GLU A 419 6.859 -45.192 -43.065 1.00 25.00 O ATOM 0 HA GLU A 419 5.153 -42.942 -41.777 1.00 25.00 H new ATOM 0 HB2 GLU A 419 2.923 -44.380 -43.104 1.00 25.00 H new ATOM 0 HB3 GLU A 419 4.449 -43.815 -43.755 1.00 25.00 H new ATOM 0 HG2 GLU A 419 3.937 -46.349 -42.187 1.00 25.00 H new ATOM 0 HG3 GLU A 419 4.402 -46.206 -43.871 1.00 25.00 H new ATOM 128 N VAL A 420 1.988 -43.089 -40.847 1.00 25.00 N ATOM 129 CA VAL A 420 0.769 -42.316 -40.592 1.00 25.00 C ATOM 130 C VAL A 420 1.048 -41.177 -39.610 1.00 25.00 C ATOM 131 O VAL A 420 0.433 -40.120 -39.682 1.00 25.00 O ATOM 132 CB VAL A 420 -0.367 -43.237 -40.045 1.00 25.00 C ATOM 133 CG1 VAL A 420 -1.669 -42.450 -39.797 1.00 25.00 C ATOM 134 CG2 VAL A 420 -0.643 -44.366 -41.042 1.00 25.00 C ATOM 0 H VAL A 420 1.949 -44.052 -40.514 1.00 25.00 H new ATOM 0 HA VAL A 420 0.438 -41.886 -41.537 1.00 25.00 H new ATOM 0 HB VAL A 420 -0.030 -43.648 -39.093 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -2.436 -43.125 -39.417 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -1.485 -41.662 -39.066 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -2.009 -42.005 -40.732 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -1.436 -45.006 -40.656 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -0.952 -43.941 -41.997 1.00 25.00 H new ATOM 0 HG23 VAL A 420 0.263 -44.956 -41.184 1.00 25.00 H new ATOM 144 N SER A 421 1.988 -41.378 -38.701 1.00 25.00 N ATOM 145 CA SER A 421 2.328 -40.335 -37.739 1.00 25.00 C ATOM 146 C SER A 421 2.978 -39.146 -38.445 1.00 25.00 C ATOM 147 O SER A 421 2.688 -37.997 -38.127 1.00 25.00 O ATOM 148 CB SER A 421 3.273 -40.884 -36.673 1.00 25.00 C ATOM 149 OG SER A 421 2.677 -41.980 -35.992 1.00 25.00 O ATOM 0 H SER A 421 2.524 -42.240 -38.607 1.00 25.00 H new ATOM 0 HA SER A 421 1.409 -39.999 -37.259 1.00 25.00 H new ATOM 0 HB2 SER A 421 4.207 -41.201 -37.136 1.00 25.00 H new ATOM 0 HB3 SER A 421 3.522 -40.098 -35.960 1.00 25.00 H new ATOM 0 HG SER A 421 3.297 -42.320 -35.314 1.00 25.00 H new ATOM 155 N ASP A 422 3.848 -39.423 -39.407 1.00 25.00 N ATOM 156 CA ASP A 422 4.501 -38.358 -40.173 1.00 25.00 C ATOM 157 C ASP A 422 3.520 -37.774 -41.182 1.00 25.00 C ATOM 158 O ASP A 422 3.567 -36.594 -41.511 1.00 25.00 O ATOM 159 CB ASP A 422 5.746 -38.898 -40.882 1.00 25.00 C ATOM 160 CG ASP A 422 6.736 -37.797 -41.243 1.00 25.00 C ATOM 161 OD1 ASP A 422 6.825 -36.800 -40.491 1.00 25.00 O ATOM 162 OD2 ASP A 422 7.436 -37.936 -42.269 1.00 25.00 O ATOM 0 H ASP A 422 4.120 -40.368 -39.678 1.00 25.00 H new ATOM 0 HA ASP A 422 4.814 -37.569 -39.490 1.00 25.00 H new ATOM 0 HB2 ASP A 422 6.238 -39.628 -40.239 1.00 25.00 H new ATOM 0 HB3 ASP A 422 5.445 -39.423 -41.789 1.00 25.00 H new ATOM 167 N MET A 423 2.606 -38.608 -41.654 1.00 25.00 N ATOM 168 CA MET A 423 1.573 -38.164 -42.581 1.00 25.00 C ATOM 169 C MET A 423 0.695 -37.129 -41.878 1.00 25.00 C ATOM 170 O MET A 423 0.347 -36.115 -42.453 1.00 25.00 O ATOM 171 CB MET A 423 0.752 -39.359 -43.076 1.00 25.00 C ATOM 172 CG MET A 423 -0.231 -39.035 -44.187 1.00 25.00 C ATOM 173 SD MET A 423 -0.801 -40.550 -45.030 1.00 25.00 S ATOM 174 CE MET A 423 -1.771 -41.377 -43.743 1.00 25.00 C ATOM 0 H MET A 423 2.558 -39.597 -41.411 1.00 25.00 H new ATOM 0 HA MET A 423 2.028 -37.702 -43.457 1.00 25.00 H new ATOM 0 HB2 MET A 423 1.436 -40.132 -43.428 1.00 25.00 H new ATOM 0 HB3 MET A 423 0.202 -39.779 -42.234 1.00 25.00 H new ATOM 0 HG2 MET A 423 -1.087 -38.502 -43.774 1.00 25.00 H new ATOM 0 HG3 MET A 423 0.240 -38.369 -44.910 1.00 25.00 H new ATOM 0 HE1 MET A 423 -1.328 -42.348 -43.521 1.00 25.00 H new ATOM 0 HE2 MET A 423 -1.775 -40.765 -42.841 1.00 25.00 H new ATOM 0 HE3 MET A 423 -2.794 -41.516 -44.091 1.00 25.00 H new ATOM 184 N ALA A 424 0.366 -37.370 -40.619 1.00 25.00 N ATOM 185 CA ALA A 424 -0.428 -36.417 -39.847 1.00 25.00 C ATOM 186 C ALA A 424 0.354 -35.110 -39.623 1.00 25.00 C ATOM 187 O ALA A 424 -0.229 -34.029 -39.529 1.00 25.00 O ATOM 188 CB ALA A 424 -0.820 -37.042 -38.504 1.00 25.00 C ATOM 0 H ALA A 424 0.633 -38.212 -40.109 1.00 25.00 H new ATOM 0 HA ALA A 424 -1.332 -36.177 -40.408 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -1.412 -36.329 -37.930 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -1.407 -37.943 -38.680 1.00 25.00 H new ATOM 0 HB3 ALA A 424 0.080 -37.299 -37.946 1.00 25.00 H new ATOM 194 N ALA A 425 1.674 -35.211 -39.526 1.00 25.00 N ATOM 195 CA ALA A 425 2.509 -34.034 -39.315 1.00 25.00 C ATOM 196 C ALA A 425 2.526 -33.144 -40.565 1.00 25.00 C ATOM 197 O ALA A 425 2.392 -31.924 -40.467 1.00 25.00 O ATOM 198 CB ALA A 425 3.937 -34.460 -38.939 1.00 25.00 C ATOM 0 H ALA A 425 2.187 -36.090 -39.590 1.00 25.00 H new ATOM 0 HA ALA A 425 2.087 -33.455 -38.494 1.00 25.00 H new ATOM 0 HB1 ALA A 425 4.552 -33.574 -38.784 1.00 25.00 H new ATOM 0 HB2 ALA A 425 3.911 -35.049 -38.022 1.00 25.00 H new ATOM 0 HB3 ALA A 425 4.362 -35.060 -39.744 1.00 25.00 H new ATOM 204 N VAL A 426 2.697 -33.747 -41.733 1.00 25.00 N ATOM 205 CA VAL A 426 2.726 -32.987 -42.984 1.00 25.00 C ATOM 206 C VAL A 426 1.333 -32.466 -43.326 1.00 25.00 C ATOM 207 O VAL A 426 1.192 -31.381 -43.874 1.00 25.00 O ATOM 208 CB VAL A 426 3.350 -33.830 -44.132 1.00 25.00 C ATOM 209 CG1 VAL A 426 2.513 -35.032 -44.506 1.00 25.00 C ATOM 210 CG2 VAL A 426 3.626 -32.966 -45.350 1.00 25.00 C ATOM 0 H VAL A 426 2.817 -34.754 -41.845 1.00 25.00 H new ATOM 0 HA VAL A 426 3.369 -32.116 -42.853 1.00 25.00 H new ATOM 0 HB VAL A 426 4.296 -34.216 -43.751 1.00 25.00 H new ATOM 0 HG11 VAL A 426 3.002 -35.579 -45.312 1.00 25.00 H new ATOM 0 HG12 VAL A 426 2.404 -35.684 -43.639 1.00 25.00 H new ATOM 0 HG13 VAL A 426 1.529 -34.701 -44.837 1.00 25.00 H new ATOM 0 HG21 VAL A 426 4.062 -33.578 -46.139 1.00 25.00 H new ATOM 0 HG22 VAL A 426 2.693 -32.528 -45.704 1.00 25.00 H new ATOM 0 HG23 VAL A 426 4.321 -32.171 -45.082 1.00 25.00 H new ATOM 220 N GLU A 427 0.311 -33.220 -42.962 1.00 25.00 N ATOM 221 CA GLU A 427 -1.080 -32.772 -43.126 1.00 25.00 C ATOM 222 C GLU A 427 -1.277 -31.464 -42.353 1.00 25.00 C ATOM 223 O GLU A 427 -1.842 -30.498 -42.861 1.00 25.00 O ATOM 224 CB GLU A 427 -2.062 -33.814 -42.577 1.00 25.00 C ATOM 225 CG GLU A 427 -2.438 -34.934 -43.550 1.00 25.00 C ATOM 226 CD GLU A 427 -3.288 -36.023 -42.880 1.00 25.00 C ATOM 227 OE1 GLU A 427 -3.521 -37.079 -43.515 1.00 25.00 O ATOM 228 OE2 GLU A 427 -3.733 -35.823 -41.723 1.00 25.00 O ATOM 0 H GLU A 427 0.408 -34.148 -42.550 1.00 25.00 H new ATOM 0 HA GLU A 427 -1.273 -32.630 -44.189 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -1.629 -34.262 -41.683 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -2.973 -33.303 -42.267 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -2.988 -34.513 -44.391 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -1.530 -35.382 -43.955 1.00 25.00 H new ATOM 235 N ALA A 428 -0.797 -31.424 -41.118 1.00 25.00 N ATOM 236 CA ALA A 428 -0.917 -30.218 -40.304 1.00 25.00 C ATOM 237 C ALA A 428 -0.093 -29.080 -40.920 1.00 25.00 C ATOM 238 O ALA A 428 -0.498 -27.909 -40.889 1.00 25.00 O ATOM 239 CB ALA A 428 -0.451 -30.507 -38.872 1.00 25.00 C ATOM 0 H ALA A 428 -0.325 -32.203 -40.659 1.00 25.00 H new ATOM 0 HA ALA A 428 -1.962 -29.909 -40.275 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -0.543 -29.603 -38.270 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -1.068 -31.295 -38.440 1.00 25.00 H new ATOM 0 HB3 ALA A 428 0.590 -30.829 -38.886 1.00 25.00 H new ATOM 245 N ALA A 429 1.058 -29.428 -41.476 1.00 25.00 N ATOM 246 CA ALA A 429 1.943 -28.446 -42.084 1.00 25.00 C ATOM 247 C ALA A 429 1.310 -27.808 -43.322 1.00 25.00 C ATOM 248 O ALA A 429 1.355 -26.595 -43.477 1.00 25.00 O ATOM 249 CB ALA A 429 3.280 -29.097 -42.450 1.00 25.00 C ATOM 0 H ALA A 429 1.402 -30.387 -41.519 1.00 25.00 H new ATOM 0 HA ALA A 429 2.116 -27.655 -41.354 1.00 25.00 H new ATOM 0 HB1 ALA A 429 3.935 -28.353 -42.904 1.00 25.00 H new ATOM 0 HB2 ALA A 429 3.750 -29.493 -41.550 1.00 25.00 H new ATOM 0 HB3 ALA A 429 3.108 -29.909 -43.157 1.00 25.00 H new ATOM 255 N GLU A 430 0.730 -28.600 -44.213 1.00 25.00 N ATOM 256 CA GLU A 430 0.140 -28.034 -45.427 1.00 25.00 C ATOM 257 C GLU A 430 -1.087 -27.190 -45.087 1.00 25.00 C ATOM 258 O GLU A 430 -1.370 -26.199 -45.763 1.00 25.00 O ATOM 259 CB GLU A 430 -0.181 -29.105 -46.482 1.00 25.00 C ATOM 260 CG GLU A 430 -1.277 -30.088 -46.124 1.00 25.00 C ATOM 261 CD GLU A 430 -1.624 -30.994 -47.296 1.00 25.00 C ATOM 262 OE1 GLU A 430 -0.727 -31.710 -47.790 1.00 25.00 O ATOM 263 OE2 GLU A 430 -2.798 -30.979 -47.731 1.00 25.00 O ATOM 0 H GLU A 430 0.654 -29.613 -44.127 1.00 25.00 H new ATOM 0 HA GLU A 430 0.888 -27.381 -45.877 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -0.461 -28.602 -47.407 1.00 25.00 H new ATOM 0 HB3 GLU A 430 0.730 -29.667 -46.688 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -0.959 -30.695 -45.276 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -2.167 -29.543 -45.810 1.00 25.00 H new ATOM 270 N LEU A 431 -1.803 -27.551 -44.030 1.00 25.00 N ATOM 271 CA LEU A 431 -2.960 -26.767 -43.607 1.00 25.00 C ATOM 272 C LEU A 431 -2.522 -25.363 -43.203 1.00 25.00 C ATOM 273 O LEU A 431 -3.181 -24.378 -43.549 1.00 25.00 O ATOM 274 CB LEU A 431 -3.684 -27.449 -42.443 1.00 25.00 C ATOM 275 CG LEU A 431 -4.587 -28.633 -42.832 1.00 25.00 C ATOM 276 CD1 LEU A 431 -5.004 -29.394 -41.574 1.00 25.00 C ATOM 277 CD2 LEU A 431 -5.837 -28.163 -43.587 1.00 25.00 C ATOM 0 H LEU A 431 -1.608 -28.371 -43.455 1.00 25.00 H new ATOM 0 HA LEU A 431 -3.652 -26.696 -44.446 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -2.939 -27.801 -41.730 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -4.291 -26.704 -41.928 1.00 25.00 H new ATOM 0 HG LEU A 431 -4.019 -29.288 -43.493 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -5.643 -30.232 -41.851 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -4.116 -29.768 -41.064 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -5.550 -28.725 -40.909 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -6.451 -29.025 -43.846 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -6.411 -27.485 -42.955 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -5.538 -27.644 -44.498 1.00 25.00 H new ATOM 289 N GLU A 432 -1.414 -25.236 -42.484 1.00 25.00 N ATOM 290 CA GLU A 432 -0.918 -23.901 -42.158 1.00 25.00 C ATOM 291 C GLU A 432 -0.262 -23.234 -43.369 1.00 25.00 C ATOM 292 O GLU A 432 -0.334 -22.013 -43.515 1.00 25.00 O ATOM 293 CB GLU A 432 -0.034 -23.862 -40.906 1.00 25.00 C ATOM 294 CG GLU A 432 1.369 -24.411 -41.019 1.00 25.00 C ATOM 295 CD GLU A 432 2.185 -24.063 -39.781 1.00 25.00 C ATOM 296 OE1 GLU A 432 3.426 -23.978 -39.882 1.00 25.00 O ATOM 297 OE2 GLU A 432 1.574 -23.854 -38.703 1.00 25.00 O ATOM 0 H GLU A 432 -0.856 -26.011 -42.125 1.00 25.00 H new ATOM 0 HA GLU A 432 -1.793 -23.306 -41.898 1.00 25.00 H new ATOM 0 HB2 GLU A 432 0.037 -22.825 -40.578 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -0.547 -24.412 -40.116 1.00 25.00 H new ATOM 0 HG2 GLU A 432 1.332 -25.493 -41.144 1.00 25.00 H new ATOM 0 HG3 GLU A 432 1.854 -24.004 -41.906 1.00 25.00 H new ATOM 304 N MET A 433 0.359 -24.020 -44.239 1.00 25.00 N ATOM 305 CA MET A 433 0.990 -23.487 -45.450 1.00 25.00 C ATOM 306 C MET A 433 -0.051 -22.846 -46.359 1.00 25.00 C ATOM 307 O MET A 433 0.226 -21.855 -47.034 1.00 25.00 O ATOM 308 CB MET A 433 1.704 -24.600 -46.221 1.00 25.00 C ATOM 309 CG MET A 433 3.057 -24.192 -46.779 1.00 25.00 C ATOM 310 SD MET A 433 4.263 -23.853 -45.467 1.00 25.00 S ATOM 311 CE MET A 433 4.566 -25.549 -44.766 1.00 25.00 C ATOM 0 H MET A 433 0.442 -25.031 -44.133 1.00 25.00 H new ATOM 0 HA MET A 433 1.717 -22.735 -45.142 1.00 25.00 H new ATOM 0 HB2 MET A 433 1.838 -25.457 -45.561 1.00 25.00 H new ATOM 0 HB3 MET A 433 1.066 -24.926 -47.043 1.00 25.00 H new ATOM 0 HG2 MET A 433 3.437 -24.985 -47.424 1.00 25.00 H new ATOM 0 HG3 MET A 433 2.939 -23.304 -47.401 1.00 25.00 H new ATOM 0 HE1 MET A 433 5.464 -25.532 -44.148 1.00 25.00 H new ATOM 0 HE2 MET A 433 3.713 -25.849 -44.158 1.00 25.00 H new ATOM 0 HE3 MET A 433 4.699 -26.261 -45.581 1.00 25.00 H new ATOM 321 N THR A 434 -1.255 -23.400 -46.358 1.00 25.00 N ATOM 322 CA THR A 434 -2.370 -22.859 -47.137 1.00 25.00 C ATOM 323 C THR A 434 -2.634 -21.409 -46.730 1.00 25.00 C ATOM 324 O THR A 434 -2.953 -20.563 -47.553 1.00 25.00 O ATOM 325 CB THR A 434 -3.656 -23.701 -46.918 1.00 25.00 C ATOM 326 OG1 THR A 434 -3.402 -25.062 -47.276 1.00 25.00 O ATOM 327 CG2 THR A 434 -4.806 -23.210 -47.788 1.00 25.00 C ATOM 0 H THR A 434 -1.491 -24.234 -45.821 1.00 25.00 H new ATOM 0 HA THR A 434 -2.101 -22.900 -48.193 1.00 25.00 H new ATOM 0 HB THR A 434 -3.930 -23.606 -45.867 1.00 25.00 H new ATOM 0 HG1 THR A 434 -2.736 -25.442 -46.666 1.00 25.00 H new ATOM 0 HG21 THR A 434 -5.688 -23.824 -47.606 1.00 25.00 H new ATOM 0 HG22 THR A 434 -5.030 -22.172 -47.543 1.00 25.00 H new ATOM 0 HG23 THR A 434 -4.524 -23.282 -48.838 1.00 25.00 H new ATOM 335 N ARG A 435 -2.480 -21.108 -45.453 1.00 25.00 N ATOM 336 CA ARG A 435 -2.726 -19.749 -44.963 1.00 25.00 C ATOM 337 C ARG A 435 -1.682 -18.821 -45.553 1.00 25.00 C ATOM 338 O ARG A 435 -1.978 -17.706 -45.966 1.00 25.00 O ATOM 339 CB ARG A 435 -2.649 -19.709 -43.433 1.00 25.00 C ATOM 340 CG ARG A 435 -3.480 -20.796 -42.771 1.00 25.00 C ATOM 341 CD ARG A 435 -3.266 -20.844 -41.268 1.00 25.00 C ATOM 342 NE ARG A 435 -3.726 -22.139 -40.734 1.00 25.00 N ATOM 343 CZ ARG A 435 -3.253 -22.737 -39.644 1.00 25.00 C ATOM 344 NH1 ARG A 435 -2.310 -22.208 -38.904 1.00 25.00 N ATOM 345 NH2 ARG A 435 -3.727 -23.903 -39.306 1.00 25.00 N ATOM 0 H ARG A 435 -2.189 -21.773 -44.737 1.00 25.00 H new ATOM 0 HA ARG A 435 -3.724 -19.431 -45.266 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -1.609 -19.814 -43.124 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -2.989 -18.734 -43.082 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -4.536 -20.623 -42.981 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -3.223 -21.763 -43.204 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -2.210 -20.701 -41.038 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -3.810 -20.030 -40.789 1.00 25.00 H new ATOM 0 HE ARG A 435 -4.470 -22.617 -41.243 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -1.910 -21.304 -39.156 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -1.975 -22.700 -38.076 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -4.450 -24.344 -39.874 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -3.375 -24.375 -38.473 1.00 25.00 H new ATOM 359 N GLN A 436 -0.453 -19.305 -45.598 1.00 25.00 N ATOM 360 CA GLN A 436 0.661 -18.505 -46.109 1.00 25.00 C ATOM 361 C GLN A 436 0.478 -18.169 -47.585 1.00 25.00 C ATOM 362 O GLN A 436 0.699 -17.036 -47.993 1.00 25.00 O ATOM 363 CB GLN A 436 2.011 -19.221 -45.939 1.00 25.00 C ATOM 364 CG GLN A 436 2.229 -19.922 -44.602 1.00 25.00 C ATOM 365 CD GLN A 436 1.953 -19.052 -43.401 1.00 25.00 C ATOM 366 OE1 GLN A 436 2.357 -17.902 -43.334 1.00 25.00 O ATOM 367 NE2 GLN A 436 1.260 -19.604 -42.442 1.00 25.00 N ATOM 0 H GLN A 436 -0.196 -20.243 -45.290 1.00 25.00 H new ATOM 0 HA GLN A 436 0.665 -17.588 -45.520 1.00 25.00 H new ATOM 0 HB2 GLN A 436 2.112 -19.959 -46.735 1.00 25.00 H new ATOM 0 HB3 GLN A 436 2.808 -18.491 -46.079 1.00 25.00 H new ATOM 0 HG2 GLN A 436 1.587 -20.802 -44.556 1.00 25.00 H new ATOM 0 HG3 GLN A 436 3.259 -20.276 -44.553 1.00 25.00 H new ATOM 0 HE21 GLN A 436 0.939 -20.568 -42.534 1.00 25.00 H new ATOM 0 HE22 GLN A 436 1.039 -19.071 -41.601 1.00 25.00 H new ATOM 376 N VAL A 437 0.085 -19.147 -48.395 1.00 25.00 N ATOM 377 CA VAL A 437 -0.058 -18.909 -49.837 1.00 25.00 C ATOM 378 C VAL A 437 -1.212 -17.973 -50.158 1.00 25.00 C ATOM 379 O VAL A 437 -1.135 -17.188 -51.107 1.00 25.00 O ATOM 380 CB VAL A 437 -0.210 -20.224 -50.656 1.00 25.00 C ATOM 381 CG1 VAL A 437 1.102 -21.022 -50.615 1.00 25.00 C ATOM 382 CG2 VAL A 437 -1.338 -21.094 -50.166 1.00 25.00 C ATOM 0 H VAL A 437 -0.137 -20.095 -48.091 1.00 25.00 H new ATOM 0 HA VAL A 437 0.874 -18.429 -50.137 1.00 25.00 H new ATOM 0 HB VAL A 437 -0.446 -19.930 -51.679 1.00 25.00 H new ATOM 0 HG11 VAL A 437 0.987 -21.941 -51.190 1.00 25.00 H new ATOM 0 HG12 VAL A 437 1.906 -20.423 -51.044 1.00 25.00 H new ATOM 0 HG13 VAL A 437 1.345 -21.269 -49.582 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -1.394 -21.995 -50.776 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -1.160 -21.370 -49.127 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -2.278 -20.547 -50.240 1.00 25.00 H new ATOM 392 N LEU A 438 -2.270 -18.033 -49.368 1.00 25.00 N ATOM 393 CA LEU A 438 -3.398 -17.131 -49.565 1.00 25.00 C ATOM 394 C LEU A 438 -2.932 -15.692 -49.366 1.00 25.00 C ATOM 395 O LEU A 438 -3.205 -14.826 -50.194 1.00 25.00 O ATOM 396 CB LEU A 438 -4.548 -17.452 -48.601 1.00 25.00 C ATOM 397 CG LEU A 438 -5.330 -18.748 -48.883 1.00 25.00 C ATOM 398 CD1 LEU A 438 -6.305 -19.009 -47.736 1.00 25.00 C ATOM 399 CD2 LEU A 438 -6.085 -18.694 -50.205 1.00 25.00 C ATOM 0 H LEU A 438 -2.374 -18.687 -48.592 1.00 25.00 H new ATOM 0 HA LEU A 438 -3.773 -17.262 -50.580 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -4.142 -17.510 -47.591 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -5.250 -16.618 -48.615 1.00 25.00 H new ATOM 0 HG LEU A 438 -4.609 -19.562 -48.959 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -6.861 -19.926 -47.932 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -5.750 -19.113 -46.804 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -7.001 -18.174 -47.653 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -6.620 -19.631 -50.357 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -6.797 -17.869 -50.184 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -5.379 -18.543 -51.021 1.00 25.00 H new ATOM 720 N ALA A 462 -17.774 -31.599 -44.282 1.00 25.00 N ATOM 721 CA ALA A 462 -16.626 -32.012 -43.485 1.00 25.00 C ATOM 722 C ALA A 462 -17.095 -32.686 -42.189 1.00 25.00 C ATOM 723 O ALA A 462 -16.625 -33.763 -41.825 1.00 25.00 O ATOM 724 CB ALA A 462 -15.725 -30.803 -43.178 1.00 25.00 C ATOM 0 HA ALA A 462 -16.043 -32.735 -44.056 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -14.872 -31.127 -42.582 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.371 -30.367 -44.112 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -16.294 -30.057 -42.622 1.00 25.00 H new ATOM 730 N LEU A 463 -18.017 -32.043 -41.487 1.00 25.00 N ATOM 731 CA LEU A 463 -18.484 -32.558 -40.203 1.00 25.00 C ATOM 732 C LEU A 463 -19.267 -33.849 -40.352 1.00 25.00 C ATOM 733 O LEU A 463 -19.217 -34.693 -39.476 1.00 25.00 O ATOM 734 CB LEU A 463 -19.290 -31.492 -39.444 1.00 25.00 C ATOM 735 CG LEU A 463 -20.820 -31.407 -39.599 1.00 25.00 C ATOM 736 CD1 LEU A 463 -21.582 -32.334 -38.633 1.00 25.00 C ATOM 737 CD2 LEU A 463 -21.236 -29.982 -39.333 1.00 25.00 C ATOM 0 H LEU A 463 -18.455 -31.170 -41.780 1.00 25.00 H new ATOM 0 HA LEU A 463 -17.601 -32.797 -39.610 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -19.082 -31.627 -38.383 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -18.884 -30.521 -39.727 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.069 -31.729 -40.610 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -22.654 -32.225 -38.794 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.291 -33.368 -38.815 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -21.341 -32.065 -37.605 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -22.317 -29.893 -39.436 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -20.944 -29.700 -38.321 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -20.748 -29.321 -40.049 1.00 25.00 H new ATOM 749 N GLN A 464 -19.981 -34.030 -41.451 1.00 25.00 N ATOM 750 CA GLN A 464 -20.706 -35.285 -41.648 1.00 25.00 C ATOM 751 C GLN A 464 -19.724 -36.450 -41.831 1.00 25.00 C ATOM 752 O GLN A 464 -20.024 -37.586 -41.469 1.00 25.00 O ATOM 753 CB GLN A 464 -21.729 -35.172 -42.782 1.00 25.00 C ATOM 754 CG GLN A 464 -21.218 -35.344 -44.205 1.00 25.00 C ATOM 755 CD GLN A 464 -22.350 -35.269 -45.210 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.356 -34.445 -46.120 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.320 -36.127 -45.041 1.00 25.00 N ATOM 0 H GLN A 464 -20.077 -33.348 -42.204 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.285 -35.499 -40.750 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -22.506 -35.917 -42.611 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -22.204 -34.194 -42.711 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -20.482 -34.571 -44.425 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -20.710 -36.304 -44.298 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -23.280 -36.797 -44.273 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.117 -36.127 -45.677 1.00 25.00 H new ATOM 766 N GLY A 465 -18.539 -36.161 -42.352 1.00 25.00 N ATOM 767 CA GLY A 465 -17.504 -37.169 -42.465 1.00 25.00 C ATOM 768 C GLY A 465 -16.948 -37.416 -41.080 1.00 25.00 C ATOM 769 O GLY A 465 -16.662 -38.550 -40.717 1.00 25.00 O ATOM 0 H GLY A 465 -18.275 -35.239 -42.701 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.911 -38.090 -42.883 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.716 -36.834 -43.139 1.00 25.00 H new ATOM 773 N ALA A 466 -16.821 -36.351 -40.295 1.00 25.00 N ATOM 774 CA ALA A 466 -16.324 -36.442 -38.920 1.00 25.00 C ATOM 775 C ALA A 466 -17.150 -37.432 -38.093 1.00 25.00 C ATOM 776 O ALA A 466 -16.629 -38.102 -37.219 1.00 25.00 O ATOM 777 CB ALA A 466 -16.338 -35.067 -38.248 1.00 25.00 C ATOM 0 H ALA A 466 -17.057 -35.403 -40.589 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.297 -36.805 -38.967 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -15.965 -35.157 -37.228 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -15.701 -34.382 -38.808 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.357 -34.682 -38.229 1.00 25.00 H new ATOM 783 N GLN A 467 -18.437 -37.533 -38.381 1.00 25.00 N ATOM 784 CA GLN A 467 -19.298 -38.463 -37.659 1.00 25.00 C ATOM 785 C GLN A 467 -19.021 -39.912 -38.054 1.00 25.00 C ATOM 786 O GLN A 467 -19.036 -40.807 -37.215 1.00 25.00 O ATOM 787 CB GLN A 467 -20.756 -38.157 -37.965 1.00 25.00 C ATOM 788 CG GLN A 467 -21.171 -36.721 -37.662 1.00 25.00 C ATOM 789 CD GLN A 467 -20.803 -36.270 -36.267 1.00 25.00 C ATOM 790 OE1 GLN A 467 -21.132 -36.912 -35.283 1.00 25.00 O ATOM 791 NE2 GLN A 467 -20.118 -35.160 -36.179 1.00 25.00 N ATOM 0 H GLN A 467 -18.908 -36.988 -39.103 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.090 -38.341 -36.596 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.945 -38.363 -39.018 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.386 -38.835 -37.389 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.702 -36.055 -38.386 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.249 -36.627 -37.793 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -19.861 -34.651 -37.025 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -19.840 -34.803 -35.265 1.00 25.00 H new ATOM 800 N ALA A 468 -18.777 -40.146 -39.334 1.00 25.00 N ATOM 801 CA ALA A 468 -18.521 -41.497 -39.819 1.00 25.00 C ATOM 802 C ALA A 468 -17.183 -41.991 -39.268 1.00 25.00 C ATOM 803 O ALA A 468 -17.064 -43.121 -38.792 1.00 25.00 O ATOM 804 CB ALA A 468 -18.516 -41.515 -41.355 1.00 25.00 C ATOM 0 H ALA A 468 -18.750 -39.424 -40.054 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.312 -42.163 -39.474 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -18.324 -42.529 -41.706 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.485 -41.180 -41.726 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.736 -40.849 -41.724 1.00 25.00 H new ATOM 810 N VAL A 469 -16.175 -41.134 -39.321 1.00 25.00 N ATOM 811 CA VAL A 469 -14.849 -41.493 -38.824 1.00 25.00 C ATOM 812 C VAL A 469 -14.869 -41.623 -37.306 1.00 25.00 C ATOM 813 O VAL A 469 -14.072 -42.356 -36.748 1.00 25.00 O ATOM 814 CB VAL A 469 -13.740 -40.488 -39.273 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.765 -40.311 -40.797 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.919 -39.140 -38.618 1.00 25.00 C ATOM 0 H VAL A 469 -16.245 -40.190 -39.700 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.596 -42.457 -39.266 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.781 -40.903 -38.964 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.987 -39.608 -41.094 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.588 -41.273 -41.278 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.738 -39.926 -41.103 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.131 -38.465 -38.952 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.890 -38.728 -38.893 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.866 -39.252 -37.535 1.00 25.00 H new ATOM 826 N ALA A 470 -15.779 -40.924 -36.634 1.00 25.00 N ATOM 827 CA ALA A 470 -15.869 -40.982 -35.172 1.00 25.00 C ATOM 828 C ALA A 470 -16.090 -42.409 -34.674 1.00 25.00 C ATOM 829 O ALA A 470 -15.667 -42.746 -33.573 1.00 25.00 O ATOM 830 CB ALA A 470 -16.983 -40.067 -34.654 1.00 25.00 C ATOM 0 H ALA A 470 -16.465 -40.311 -37.074 1.00 25.00 H new ATOM 0 HA ALA A 470 -14.914 -40.632 -34.780 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.028 -40.129 -33.567 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.777 -39.039 -34.951 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -17.938 -40.382 -35.075 1.00 25.00 H new ATOM 836 N ALA A 471 -16.732 -43.250 -35.475 1.00 25.00 N ATOM 837 CA ALA A 471 -16.929 -44.647 -35.095 1.00 25.00 C ATOM 838 C ALA A 471 -15.565 -45.352 -34.991 1.00 25.00 C ATOM 839 O ALA A 471 -15.341 -46.158 -34.095 1.00 25.00 O ATOM 840 CB ALA A 471 -17.827 -45.351 -36.119 1.00 25.00 C ATOM 0 H ALA A 471 -17.122 -42.995 -36.382 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.421 -44.691 -34.123 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.967 -46.391 -35.826 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.795 -44.852 -36.158 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.358 -45.311 -37.102 1.00 25.00 H new ATOM 846 N ALA A 472 -14.658 -45.028 -35.900 1.00 25.00 N ATOM 847 CA ALA A 472 -13.305 -45.571 -35.862 1.00 25.00 C ATOM 848 C ALA A 472 -12.513 -44.930 -34.718 1.00 25.00 C ATOM 849 O ALA A 472 -11.720 -45.587 -34.060 1.00 25.00 O ATOM 850 CB ALA A 472 -12.601 -45.334 -37.209 1.00 25.00 C ATOM 0 H ALA A 472 -14.833 -44.390 -36.676 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.358 -46.645 -35.686 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.592 -45.743 -37.169 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.161 -45.826 -38.004 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.551 -44.264 -37.410 1.00 25.00 H new ATOM 856 N GLN A 473 -12.726 -43.643 -34.484 1.00 25.00 N ATOM 857 CA GLN A 473 -12.005 -42.934 -33.428 1.00 25.00 C ATOM 858 C GLN A 473 -12.358 -43.436 -32.035 1.00 25.00 C ATOM 859 O GLN A 473 -11.483 -43.683 -31.213 1.00 25.00 O ATOM 860 CB GLN A 473 -12.296 -41.430 -33.477 1.00 25.00 C ATOM 861 CG GLN A 473 -11.911 -40.739 -34.779 1.00 25.00 C ATOM 862 CD GLN A 473 -10.415 -40.634 -34.997 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.625 -40.819 -34.088 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.027 -40.345 -36.212 1.00 25.00 N ATOM 0 H GLN A 473 -13.388 -43.068 -35.006 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.948 -43.126 -33.614 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.361 -41.276 -33.303 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.766 -40.946 -32.657 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.353 -41.284 -35.613 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.341 -39.738 -34.789 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.719 -40.197 -36.947 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.032 -40.268 -36.425 1.00 25.00 H new ATOM 873 N ARG A 474 -13.644 -43.602 -31.761 1.00 25.00 N ATOM 874 CA ARG A 474 -14.071 -44.108 -30.447 1.00 25.00 C ATOM 875 C ARG A 474 -13.532 -45.519 -30.246 1.00 25.00 C ATOM 876 O ARG A 474 -13.286 -45.947 -29.124 1.00 25.00 O ATOM 877 CB ARG A 474 -15.601 -44.068 -30.293 1.00 25.00 C ATOM 878 CG ARG A 474 -16.376 -45.004 -31.210 1.00 25.00 C ATOM 879 CD ARG A 474 -17.878 -44.778 -31.119 1.00 25.00 C ATOM 880 NE ARG A 474 -18.417 -45.144 -29.796 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.694 -45.060 -29.439 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.624 -44.626 -30.257 1.00 25.00 N ATOM 883 NH2 ARG A 474 -20.045 -45.427 -28.238 1.00 25.00 N ATOM 0 H ARG A 474 -14.404 -43.401 -32.411 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.661 -43.458 -29.674 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.851 -44.310 -29.260 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.940 -43.048 -30.473 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.049 -44.856 -32.239 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.149 -46.038 -30.949 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.099 -43.730 -31.322 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.379 -45.365 -31.889 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.757 -45.489 -29.099 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.377 -44.339 -31.204 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.594 -44.576 -29.946 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.342 -45.774 -27.585 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -21.022 -45.367 -27.952 1.00 25.00 H new ATOM 897 N LEU A 475 -13.338 -46.224 -31.349 1.00 25.00 N ATOM 898 CA LEU A 475 -12.775 -47.564 -31.324 1.00 25.00 C ATOM 899 C LEU A 475 -11.272 -47.515 -31.022 1.00 25.00 C ATOM 900 O LEU A 475 -10.815 -48.211 -30.127 1.00 25.00 O ATOM 901 CB LEU A 475 -13.055 -48.259 -32.669 1.00 25.00 C ATOM 902 CG LEU A 475 -11.977 -49.182 -33.261 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.793 -50.456 -32.413 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.352 -49.568 -34.678 1.00 25.00 C ATOM 0 H LEU A 475 -13.566 -45.885 -32.284 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.246 -48.140 -30.528 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.966 -48.846 -32.554 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.266 -47.483 -33.405 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.034 -48.635 -33.261 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.023 -51.084 -32.862 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.492 -50.180 -31.402 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.733 -51.006 -32.374 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.585 -50.222 -35.092 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.309 -50.090 -34.672 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.433 -48.670 -35.290 1.00 25.00 H new ATOM 916 N VAL A 476 -10.497 -46.722 -31.755 1.00 25.00 N ATOM 917 CA VAL A 476 -9.041 -46.713 -31.557 1.00 25.00 C ATOM 918 C VAL A 476 -8.723 -46.227 -30.150 1.00 25.00 C ATOM 919 O VAL A 476 -7.797 -46.714 -29.498 1.00 25.00 O ATOM 920 CB VAL A 476 -8.283 -45.890 -32.652 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.652 -44.429 -32.643 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.767 -46.051 -32.495 1.00 25.00 C ATOM 0 H VAL A 476 -10.837 -46.088 -32.478 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.678 -47.735 -31.667 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.593 -46.294 -33.616 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.096 -43.908 -33.423 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.721 -44.323 -32.827 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.406 -43.998 -31.673 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.258 -45.472 -33.265 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.463 -45.693 -31.511 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.500 -47.103 -32.597 1.00 25.00 H new ATOM 932 N HIS A 477 -9.516 -45.287 -29.672 1.00 25.00 N ATOM 933 CA HIS A 477 -9.351 -44.759 -28.341 1.00 25.00 C ATOM 934 C HIS A 477 -9.554 -45.858 -27.308 1.00 25.00 C ATOM 935 O HIS A 477 -8.870 -45.884 -26.301 1.00 25.00 O ATOM 936 CB HIS A 477 -10.346 -43.629 -28.118 1.00 25.00 C ATOM 937 CG HIS A 477 -10.079 -42.842 -26.875 1.00 25.00 C ATOM 938 ND1 HIS A 477 -11.003 -42.063 -26.227 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.941 -42.723 -26.142 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.417 -41.527 -25.159 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.157 -41.897 -25.058 1.00 25.00 N ATOM 0 H HIS A 477 -10.287 -44.873 -30.196 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.339 -44.370 -28.231 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.322 -42.958 -28.977 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.352 -44.045 -28.067 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -8.003 -43.205 -26.374 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.914 -40.869 -24.461 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.487 -41.631 -24.336 1.00 25.00 H new ATOM 949 N ALA A 478 -10.477 -46.777 -27.559 1.00 25.00 N ATOM 950 CA ALA A 478 -10.729 -47.856 -26.614 1.00 25.00 C ATOM 951 C ALA A 478 -9.455 -48.679 -26.395 1.00 25.00 C ATOM 952 O ALA A 478 -9.116 -49.013 -25.266 1.00 25.00 O ATOM 953 CB ALA A 478 -11.868 -48.748 -27.114 1.00 25.00 C ATOM 0 H ALA A 478 -11.057 -46.798 -28.398 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.027 -47.422 -25.660 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.044 -49.550 -26.397 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.775 -48.153 -27.223 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.597 -49.177 -28.079 1.00 25.00 H new ATOM 959 N ILE A 479 -8.743 -48.994 -27.468 1.00 25.00 N ATOM 960 CA ILE A 479 -7.518 -49.782 -27.345 1.00 25.00 C ATOM 961 C ILE A 479 -6.424 -48.940 -26.714 1.00 25.00 C ATOM 962 O ILE A 479 -5.618 -49.445 -25.953 1.00 25.00 O ATOM 963 CB ILE A 479 -7.012 -50.300 -28.705 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.127 -51.059 -29.427 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.797 -51.244 -28.528 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.436 -50.448 -30.727 1.00 25.00 C ATOM 0 H ILE A 479 -8.985 -48.722 -28.421 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.758 -50.642 -26.719 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.706 -49.436 -29.295 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.827 -52.097 -29.573 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.023 -51.070 -28.806 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.462 -51.593 -29.505 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -4.986 -50.705 -28.038 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.086 -52.099 -27.917 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.232 -51.011 -31.214 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.760 -49.418 -30.577 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.546 -50.461 -31.356 1.00 25.00 H new ATOM 978 N ALA A 480 -6.404 -47.649 -27.013 1.00 25.00 N ATOM 979 CA ALA A 480 -5.398 -46.752 -26.453 1.00 25.00 C ATOM 980 C ALA A 480 -5.487 -46.754 -24.919 1.00 25.00 C ATOM 981 O ALA A 480 -4.505 -46.511 -24.219 1.00 25.00 O ATOM 982 CB ALA A 480 -5.589 -45.333 -27.013 1.00 25.00 C ATOM 0 H ALA A 480 -7.071 -47.198 -27.639 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.406 -47.102 -26.738 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.834 -44.670 -26.590 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.487 -45.353 -28.098 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.582 -44.968 -26.749 1.00 25.00 H new ATOM 988 N LEU A 481 -6.669 -47.040 -24.395 1.00 25.00 N ATOM 989 CA LEU A 481 -6.844 -47.131 -22.944 1.00 25.00 C ATOM 990 C LEU A 481 -6.303 -48.449 -22.459 1.00 25.00 C ATOM 991 O LEU A 481 -5.639 -48.521 -21.445 1.00 25.00 O ATOM 992 CB LEU A 481 -8.306 -47.003 -22.555 1.00 25.00 C ATOM 993 CG LEU A 481 -8.849 -45.662 -23.024 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.354 -45.758 -23.173 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.473 -44.520 -22.085 1.00 25.00 C ATOM 0 H LEU A 481 -7.514 -47.212 -24.940 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.299 -46.309 -22.479 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.882 -47.814 -22.999 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.413 -47.091 -21.474 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.394 -45.433 -23.988 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.748 -44.799 -23.509 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.599 -46.528 -23.905 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.799 -46.017 -22.212 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.885 -43.585 -22.466 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.877 -44.717 -21.092 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.388 -44.440 -22.025 1.00 25.00 H new ATOM 1007 N MET A 482 -6.580 -49.503 -23.198 1.00 25.00 N ATOM 1008 CA MET A 482 -6.106 -50.830 -22.823 1.00 25.00 C ATOM 1009 C MET A 482 -4.601 -50.898 -22.826 1.00 25.00 C ATOM 1010 O MET A 482 -4.009 -51.682 -22.092 1.00 25.00 O ATOM 1011 CB MET A 482 -6.644 -51.882 -23.783 1.00 25.00 C ATOM 1012 CG MET A 482 -8.118 -51.868 -23.792 1.00 25.00 C ATOM 1013 SD MET A 482 -8.864 -53.418 -24.337 1.00 25.00 S ATOM 1014 CE MET A 482 -8.680 -53.288 -26.117 1.00 25.00 C ATOM 0 H MET A 482 -7.127 -49.473 -24.058 1.00 25.00 H new ATOM 0 HA MET A 482 -6.469 -51.027 -21.814 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.267 -51.693 -24.788 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.286 -52.868 -23.489 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.475 -51.638 -22.788 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.459 -51.064 -24.444 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.048 -54.199 -26.588 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.252 -52.435 -26.481 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.627 -53.151 -26.365 1.00 25.00 H new ATOM 1024 N THR A 483 -3.969 -50.083 -23.649 1.00 25.00 N ATOM 1025 CA THR A 483 -2.516 -50.164 -23.757 1.00 25.00 C ATOM 1026 C THR A 483 -1.863 -49.468 -22.577 1.00 25.00 C ATOM 1027 O THR A 483 -0.824 -49.915 -22.095 1.00 25.00 O ATOM 1028 CB THR A 483 -2.017 -49.599 -25.088 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.531 -48.283 -25.275 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.498 -50.476 -26.241 1.00 25.00 C ATOM 0 H THR A 483 -4.415 -49.378 -24.236 1.00 25.00 H new ATOM 0 HA THR A 483 -2.231 -51.216 -23.735 1.00 25.00 H new ATOM 0 HB THR A 483 -0.927 -49.577 -25.070 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.208 -47.924 -26.128 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.138 -50.066 -27.185 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.112 -51.488 -26.114 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.588 -50.501 -26.249 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.474 -48.398 -22.086 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.947 -47.719 -20.904 1.00 25.00 C ATOM 1040 C GLN A 484 -2.379 -48.434 -19.619 1.00 25.00 C ATOM 1041 O GLN A 484 -1.635 -48.445 -18.650 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.329 -46.228 -20.892 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.814 -45.934 -20.828 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.122 -44.476 -21.054 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.123 -43.680 -20.132 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.396 -44.122 -22.281 1.00 25.00 N ATOM 0 H GLN A 484 -3.320 -47.985 -22.478 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.859 -47.765 -20.950 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.846 -45.754 -20.038 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.922 -45.760 -21.788 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.333 -46.532 -21.577 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.200 -46.237 -19.855 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.385 -44.818 -23.027 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.621 -43.150 -22.493 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.555 -49.055 -19.606 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.000 -49.796 -18.431 1.00 25.00 C ATOM 1057 C PHE A 485 -3.173 -51.067 -18.297 1.00 25.00 C ATOM 1058 O PHE A 485 -2.836 -51.492 -17.197 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.481 -50.150 -18.552 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.393 -49.188 -17.835 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.727 -47.943 -18.404 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.922 -49.523 -16.574 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.588 -47.043 -17.729 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.785 -48.630 -15.888 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.119 -47.389 -16.469 1.00 25.00 C ATOM 0 H PHE A 485 -4.211 -49.060 -20.387 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.865 -49.175 -17.545 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.754 -50.178 -19.607 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.640 -51.152 -18.155 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.321 -47.671 -19.367 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.668 -50.471 -16.124 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.837 -46.093 -18.179 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.186 -48.900 -14.922 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.778 -46.707 -15.952 1.00 25.00 H new