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 -131:sc= 0 (180deg=-0.938) USER MOD Single : A 433 MET CE :methyl 159:sc= -0.0087 (180deg=-0.246) USER MOD Single : A 434 THR OG1 : rot 73:sc= 1.03 USER MOD Single : A 436 GLN : amide:sc= 0 X(o=0,f=-0.13) 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=-0.57) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 477 HIS : no HD1:sc= -0.0919 X(o=-0.092,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc=-0.000894 (180deg=-0.000894) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.44 X(o=0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -12.993 -28.990 -32.132 1.00 25.00 N ATOM 114 CA GLU A 419 -13.365 -27.596 -32.374 1.00 25.00 C ATOM 115 C GLU A 419 -14.140 -27.458 -33.686 1.00 25.00 C ATOM 116 O GLU A 419 -14.929 -26.552 -33.847 1.00 25.00 O ATOM 117 CB GLU A 419 -12.104 -26.726 -32.416 1.00 25.00 C ATOM 118 CG GLU A 419 -11.296 -26.752 -31.113 1.00 25.00 C ATOM 119 CD GLU A 419 -9.992 -25.962 -31.208 1.00 25.00 C ATOM 120 OE1 GLU A 419 -9.123 -26.348 -32.023 1.00 25.00 O ATOM 121 OE2 GLU A 419 -9.827 -24.977 -30.464 1.00 25.00 O ATOM 0 HA GLU A 419 -14.010 -27.263 -31.561 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -11.468 -27.062 -33.235 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -12.390 -25.697 -32.636 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -11.904 -26.344 -30.306 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -11.071 -27.786 -30.851 1.00 25.00 H new ATOM 128 N VAL A 420 -13.935 -28.378 -34.620 1.00 25.00 N ATOM 129 CA VAL A 420 -14.675 -28.358 -35.888 1.00 25.00 C ATOM 130 C VAL A 420 -16.151 -28.665 -35.623 1.00 25.00 C ATOM 131 O VAL A 420 -17.039 -28.157 -36.307 1.00 25.00 O ATOM 132 CB VAL A 420 -14.072 -29.363 -36.915 1.00 25.00 C ATOM 133 CG1 VAL A 420 -14.884 -29.385 -38.222 1.00 25.00 C ATOM 134 CG2 VAL A 420 -12.643 -28.967 -37.236 1.00 25.00 C ATOM 0 H VAL A 420 -13.268 -29.145 -34.531 1.00 25.00 H new ATOM 0 HA VAL A 420 -14.590 -27.363 -36.325 1.00 25.00 H new ATOM 0 HB VAL A 420 -14.102 -30.356 -36.467 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -14.437 -30.096 -38.916 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -15.910 -29.684 -38.008 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -14.881 -28.391 -38.669 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -12.223 -29.671 -37.954 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -12.630 -27.964 -37.661 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -12.048 -28.982 -36.323 1.00 25.00 H new ATOM 144 N SER A 421 -16.421 -29.479 -34.615 1.00 25.00 N ATOM 145 CA SER A 421 -17.801 -29.799 -34.264 1.00 25.00 C ATOM 146 C SER A 421 -18.456 -28.570 -33.649 1.00 25.00 C ATOM 147 O SER A 421 -19.634 -28.303 -33.870 1.00 25.00 O ATOM 148 CB SER A 421 -17.849 -30.959 -33.274 1.00 25.00 C ATOM 149 OG SER A 421 -17.183 -32.098 -33.806 1.00 25.00 O ATOM 0 H SER A 421 -15.715 -29.927 -34.030 1.00 25.00 H new ATOM 0 HA SER A 421 -18.338 -30.094 -35.165 1.00 25.00 H new ATOM 0 HB2 SER A 421 -17.381 -30.663 -32.335 1.00 25.00 H new ATOM 0 HB3 SER A 421 -18.886 -31.209 -33.048 1.00 25.00 H new ATOM 0 HG SER A 421 -17.222 -32.832 -33.158 1.00 25.00 H new ATOM 155 N ASP A 422 -17.677 -27.814 -32.888 1.00 25.00 N ATOM 156 CA ASP A 422 -18.171 -26.591 -32.255 1.00 25.00 C ATOM 157 C ASP A 422 -18.345 -25.505 -33.313 1.00 25.00 C ATOM 158 O ASP A 422 -19.218 -24.651 -33.208 1.00 25.00 O ATOM 159 CB ASP A 422 -17.187 -26.117 -31.180 1.00 25.00 C ATOM 160 CG ASP A 422 -17.028 -27.122 -30.051 1.00 25.00 C ATOM 161 OD1 ASP A 422 -18.056 -27.567 -29.491 1.00 25.00 O ATOM 162 OD2 ASP A 422 -15.873 -27.477 -29.730 1.00 25.00 O ATOM 0 H ASP A 422 -16.698 -28.023 -32.691 1.00 25.00 H new ATOM 0 HA ASP A 422 -19.132 -26.796 -31.784 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -16.215 -25.933 -31.638 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -17.531 -25.167 -30.771 1.00 25.00 H new ATOM 167 N MET A 423 -17.519 -25.554 -34.350 1.00 25.00 N ATOM 168 CA MET A 423 -17.577 -24.587 -35.450 1.00 25.00 C ATOM 169 C MET A 423 -18.927 -24.643 -36.156 1.00 25.00 C ATOM 170 O MET A 423 -19.414 -23.638 -36.651 1.00 25.00 O ATOM 171 CB MET A 423 -16.478 -24.878 -36.477 1.00 25.00 C ATOM 172 CG MET A 423 -15.597 -23.685 -36.812 1.00 25.00 C ATOM 173 SD MET A 423 -14.239 -23.458 -35.629 1.00 25.00 S ATOM 174 CE MET A 423 -13.016 -24.728 -36.187 1.00 25.00 C ATOM 0 H MET A 423 -16.791 -26.260 -34.457 1.00 25.00 H new ATOM 0 HA MET A 423 -17.433 -23.595 -35.021 1.00 25.00 H new ATOM 0 HB2 MET A 423 -15.849 -25.684 -36.099 1.00 25.00 H new ATOM 0 HB3 MET A 423 -16.942 -25.240 -37.394 1.00 25.00 H new ATOM 0 HG2 MET A 423 -15.183 -23.814 -37.812 1.00 25.00 H new ATOM 0 HG3 MET A 423 -16.208 -22.783 -36.834 1.00 25.00 H new ATOM 0 HE1 MET A 423 -12.681 -25.312 -35.330 1.00 25.00 H new ATOM 0 HE2 MET A 423 -13.485 -25.389 -36.916 1.00 25.00 H new ATOM 0 HE3 MET A 423 -12.160 -24.232 -36.645 1.00 25.00 H new ATOM 184 N ALA A 424 -19.537 -25.820 -36.191 1.00 25.00 N ATOM 185 CA ALA A 424 -20.846 -25.976 -36.819 1.00 25.00 C ATOM 186 C ALA A 424 -21.905 -25.168 -36.052 1.00 25.00 C ATOM 187 O ALA A 424 -22.860 -24.655 -36.637 1.00 25.00 O ATOM 188 CB ALA A 424 -21.230 -27.460 -36.864 1.00 25.00 C ATOM 0 H ALA A 424 -19.151 -26.677 -35.795 1.00 25.00 H new ATOM 0 HA ALA A 424 -20.797 -25.596 -37.839 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -22.208 -27.569 -37.334 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -20.487 -28.011 -37.441 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -21.269 -27.857 -35.849 1.00 25.00 H new ATOM 194 N ALA A 425 -21.726 -25.046 -34.743 1.00 25.00 N ATOM 195 CA ALA A 425 -22.648 -24.270 -33.926 1.00 25.00 C ATOM 196 C ALA A 425 -22.425 -22.781 -34.204 1.00 25.00 C ATOM 197 O ALA A 425 -23.370 -22.006 -34.218 1.00 25.00 O ATOM 198 CB ALA A 425 -22.444 -24.584 -32.436 1.00 25.00 C ATOM 0 H ALA A 425 -20.956 -25.472 -34.227 1.00 25.00 H new ATOM 0 HA ALA A 425 -23.674 -24.535 -34.182 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -23.142 -23.995 -31.841 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -22.623 -25.645 -32.260 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -21.422 -24.336 -32.148 1.00 25.00 H new ATOM 204 N VAL A 426 -21.177 -22.395 -34.436 1.00 25.00 N ATOM 205 CA VAL A 426 -20.844 -21.004 -34.753 1.00 25.00 C ATOM 206 C VAL A 426 -21.459 -20.628 -36.097 1.00 25.00 C ATOM 207 O VAL A 426 -22.019 -19.550 -36.237 1.00 25.00 O ATOM 208 CB VAL A 426 -19.301 -20.782 -34.805 1.00 25.00 C ATOM 209 CG1 VAL A 426 -18.967 -19.326 -35.130 1.00 25.00 C ATOM 210 CG2 VAL A 426 -18.665 -21.169 -33.467 1.00 25.00 C ATOM 0 H VAL A 426 -20.374 -23.024 -34.412 1.00 25.00 H new ATOM 0 HA VAL A 426 -21.249 -20.371 -33.964 1.00 25.00 H new ATOM 0 HB VAL A 426 -18.897 -21.416 -35.595 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -17.885 -19.199 -35.160 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -19.390 -19.063 -36.099 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -19.387 -18.676 -34.362 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -17.588 -21.009 -33.516 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -19.087 -20.554 -32.672 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -18.867 -22.220 -33.259 1.00 25.00 H new ATOM 220 N GLU A 427 -21.377 -21.519 -37.078 1.00 25.00 N ATOM 221 CA GLU A 427 -21.973 -21.260 -38.390 1.00 25.00 C ATOM 222 C GLU A 427 -23.462 -20.952 -38.231 1.00 25.00 C ATOM 223 O GLU A 427 -23.975 -19.996 -38.810 1.00 25.00 O ATOM 224 CB GLU A 427 -21.822 -22.481 -39.313 1.00 25.00 C ATOM 225 CG GLU A 427 -20.435 -22.678 -39.922 1.00 25.00 C ATOM 226 CD GLU A 427 -20.432 -23.767 -41.006 1.00 25.00 C ATOM 227 OE1 GLU A 427 -19.990 -23.478 -42.145 1.00 25.00 O ATOM 228 OE2 GLU A 427 -20.877 -24.905 -40.731 1.00 25.00 O ATOM 0 H GLU A 427 -20.908 -22.421 -36.995 1.00 25.00 H new ATOM 0 HA GLU A 427 -21.455 -20.409 -38.832 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -22.082 -23.376 -38.748 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -22.546 -22.394 -40.123 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -20.091 -21.737 -40.352 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -19.729 -22.947 -39.136 1.00 25.00 H new ATOM 235 N ALA A 428 -24.153 -21.754 -37.434 1.00 25.00 N ATOM 236 CA ALA A 428 -25.579 -21.551 -37.202 1.00 25.00 C ATOM 237 C ALA A 428 -25.838 -20.256 -36.419 1.00 25.00 C ATOM 238 O ALA A 428 -26.802 -19.539 -36.693 1.00 25.00 O ATOM 239 CB ALA A 428 -26.154 -22.754 -36.445 1.00 25.00 C ATOM 0 H ALA A 428 -23.752 -22.550 -36.937 1.00 25.00 H new ATOM 0 HA ALA A 428 -26.075 -21.459 -38.168 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -27.219 -22.600 -36.273 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -26.009 -23.659 -37.035 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -25.643 -22.860 -35.488 1.00 25.00 H new ATOM 245 N ALA A 429 -24.983 -19.974 -35.447 1.00 25.00 N ATOM 246 CA ALA A 429 -25.132 -18.792 -34.609 1.00 25.00 C ATOM 247 C ALA A 429 -25.000 -17.516 -35.434 1.00 25.00 C ATOM 248 O ALA A 429 -25.786 -16.603 -35.276 1.00 25.00 O ATOM 249 CB ALA A 429 -24.091 -18.808 -33.481 1.00 25.00 C ATOM 0 H ALA A 429 -24.174 -20.551 -35.218 1.00 25.00 H new ATOM 0 HA ALA A 429 -26.130 -18.809 -34.170 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -24.212 -17.920 -32.861 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -24.231 -19.699 -32.869 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -23.089 -18.817 -33.911 1.00 25.00 H new ATOM 255 N GLU A 430 -24.017 -17.456 -36.317 1.00 25.00 N ATOM 256 CA GLU A 430 -23.804 -16.264 -37.144 1.00 25.00 C ATOM 257 C GLU A 430 -24.994 -16.037 -38.056 1.00 25.00 C ATOM 258 O GLU A 430 -25.461 -14.911 -38.246 1.00 25.00 O ATOM 259 CB GLU A 430 -22.563 -16.439 -38.011 1.00 25.00 C ATOM 260 CG GLU A 430 -21.272 -16.501 -37.237 1.00 25.00 C ATOM 261 CD GLU A 430 -20.672 -15.122 -36.985 1.00 25.00 C ATOM 262 OE1 GLU A 430 -21.290 -14.323 -36.244 1.00 25.00 O ATOM 263 OE2 GLU A 430 -19.577 -14.840 -37.520 1.00 25.00 O ATOM 0 H GLU A 430 -23.353 -18.212 -36.485 1.00 25.00 H new ATOM 0 HA GLU A 430 -23.677 -15.410 -36.479 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -22.668 -17.353 -38.595 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -22.509 -15.613 -38.720 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -21.449 -16.996 -36.282 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -20.554 -17.111 -37.784 1.00 25.00 H new ATOM 270 N LEU A 431 -25.495 -17.125 -38.617 1.00 25.00 N ATOM 271 CA LEU A 431 -26.659 -17.052 -39.500 1.00 25.00 C ATOM 272 C LEU A 431 -27.884 -16.496 -38.766 1.00 25.00 C ATOM 273 O LEU A 431 -28.596 -15.640 -39.305 1.00 25.00 O ATOM 274 CB LEU A 431 -26.979 -18.433 -40.087 1.00 25.00 C ATOM 275 CG LEU A 431 -26.014 -18.933 -41.177 1.00 25.00 C ATOM 276 CD1 LEU A 431 -26.266 -20.417 -41.453 1.00 25.00 C ATOM 277 CD2 LEU A 431 -26.173 -18.138 -42.480 1.00 25.00 C ATOM 0 H LEU A 431 -25.121 -18.064 -38.482 1.00 25.00 H new ATOM 0 HA LEU A 431 -26.412 -16.370 -40.313 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -26.989 -19.160 -39.275 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -27.986 -18.406 -40.503 1.00 25.00 H new ATOM 0 HG LEU A 431 -24.997 -18.789 -40.812 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -25.580 -20.765 -42.225 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -26.105 -20.989 -40.540 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -27.293 -20.555 -41.791 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -25.476 -18.519 -43.226 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -27.193 -18.244 -42.849 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -25.963 -17.085 -42.292 1.00 25.00 H new ATOM 289 N GLU A 432 -28.145 -16.949 -37.547 1.00 25.00 N ATOM 290 CA GLU A 432 -29.283 -16.407 -36.799 1.00 25.00 C ATOM 291 C GLU A 432 -28.984 -14.992 -36.296 1.00 25.00 C ATOM 292 O GLU A 432 -29.890 -14.170 -36.207 1.00 25.00 O ATOM 293 CB GLU A 432 -29.770 -17.337 -35.676 1.00 25.00 C ATOM 294 CG GLU A 432 -28.902 -17.414 -34.430 1.00 25.00 C ATOM 295 CD GLU A 432 -29.542 -18.266 -33.338 1.00 25.00 C ATOM 296 OE1 GLU A 432 -28.989 -18.318 -32.219 1.00 25.00 O ATOM 297 OE2 GLU A 432 -30.608 -18.875 -33.595 1.00 25.00 O ATOM 0 H GLU A 432 -27.607 -17.667 -37.063 1.00 25.00 H new ATOM 0 HA GLU A 432 -30.117 -16.342 -37.498 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -30.768 -17.016 -35.377 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -29.868 -18.342 -36.085 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -27.929 -17.831 -34.691 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -28.726 -16.408 -34.048 1.00 25.00 H new ATOM 304 N MET A 433 -27.727 -14.693 -35.988 1.00 25.00 N ATOM 305 CA MET A 433 -27.340 -13.345 -35.555 1.00 25.00 C ATOM 306 C MET A 433 -27.665 -12.363 -36.667 1.00 25.00 C ATOM 307 O MET A 433 -28.183 -11.281 -36.418 1.00 25.00 O ATOM 308 CB MET A 433 -25.839 -13.266 -35.253 1.00 25.00 C ATOM 309 CG MET A 433 -25.498 -12.452 -34.015 1.00 25.00 C ATOM 310 SD MET A 433 -26.086 -13.235 -32.488 1.00 25.00 S ATOM 311 CE MET A 433 -24.973 -14.703 -32.363 1.00 25.00 C ATOM 0 H MET A 433 -26.957 -15.360 -36.028 1.00 25.00 H new ATOM 0 HA MET A 433 -27.889 -13.104 -34.645 1.00 25.00 H new ATOM 0 HB2 MET A 433 -25.450 -14.277 -35.129 1.00 25.00 H new ATOM 0 HB3 MET A 433 -25.329 -12.832 -36.113 1.00 25.00 H new ATOM 0 HG2 MET A 433 -24.418 -12.317 -33.958 1.00 25.00 H new ATOM 0 HG3 MET A 433 -25.939 -11.459 -34.104 1.00 25.00 H new ATOM 0 HE1 MET A 433 -24.952 -15.057 -31.332 1.00 25.00 H new ATOM 0 HE2 MET A 433 -25.344 -15.497 -33.011 1.00 25.00 H new ATOM 0 HE3 MET A 433 -23.966 -14.423 -32.672 1.00 25.00 H new ATOM 321 N THR A 434 -27.371 -12.759 -37.898 1.00 25.00 N ATOM 322 CA THR A 434 -27.652 -11.933 -39.071 1.00 25.00 C ATOM 323 C THR A 434 -29.153 -11.689 -39.192 1.00 25.00 C ATOM 324 O THR A 434 -29.591 -10.604 -39.554 1.00 25.00 O ATOM 325 CB THR A 434 -27.134 -12.612 -40.364 1.00 25.00 C ATOM 326 OG1 THR A 434 -25.748 -12.931 -40.212 1.00 25.00 O ATOM 327 CG2 THR A 434 -27.266 -11.690 -41.568 1.00 25.00 C ATOM 0 H THR A 434 -26.934 -13.655 -38.114 1.00 25.00 H new ATOM 0 HA THR A 434 -27.136 -10.981 -38.945 1.00 25.00 H new ATOM 0 HB THR A 434 -27.732 -13.508 -40.527 1.00 25.00 H new ATOM 0 HG1 THR A 434 -25.652 -13.687 -39.595 1.00 25.00 H new ATOM 0 HG21 THR A 434 -26.894 -12.198 -42.458 1.00 25.00 H new ATOM 0 HG22 THR A 434 -28.314 -11.427 -41.712 1.00 25.00 H new ATOM 0 HG23 THR A 434 -26.685 -10.784 -41.398 1.00 25.00 H new ATOM 335 N ARG A 435 -29.961 -12.685 -38.869 1.00 25.00 N ATOM 336 CA ARG A 435 -31.408 -12.481 -38.909 1.00 25.00 C ATOM 337 C ARG A 435 -31.813 -11.513 -37.820 1.00 25.00 C ATOM 338 O ARG A 435 -32.592 -10.612 -38.053 1.00 25.00 O ATOM 339 CB ARG A 435 -32.162 -13.792 -38.726 1.00 25.00 C ATOM 340 CG ARG A 435 -32.113 -14.664 -39.956 1.00 25.00 C ATOM 341 CD ARG A 435 -33.334 -15.572 -40.046 1.00 25.00 C ATOM 342 NE ARG A 435 -34.579 -14.788 -40.180 1.00 25.00 N ATOM 343 CZ ARG A 435 -35.791 -15.291 -40.366 1.00 25.00 C ATOM 344 NH1 ARG A 435 -36.007 -16.580 -40.469 1.00 25.00 N ATOM 345 NH2 ARG A 435 -36.806 -14.478 -40.444 1.00 25.00 N ATOM 0 H ARG A 435 -29.658 -13.616 -38.584 1.00 25.00 H new ATOM 0 HA ARG A 435 -31.664 -12.075 -39.888 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -31.738 -14.336 -37.882 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -33.202 -13.578 -38.478 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -32.058 -14.037 -40.846 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -31.208 -15.271 -39.937 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -33.230 -16.241 -40.900 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -33.390 -16.198 -39.156 1.00 25.00 H new ATOM 0 HE ARG A 435 -34.499 -13.773 -40.125 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -35.227 -17.234 -40.406 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -36.955 -16.928 -40.612 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -36.661 -13.472 -40.362 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -37.746 -14.848 -40.587 1.00 25.00 H new ATOM 359 N GLN A 436 -31.268 -11.703 -36.635 1.00 25.00 N ATOM 360 CA GLN A 436 -31.601 -10.863 -35.492 1.00 25.00 C ATOM 361 C GLN A 436 -31.257 -9.393 -35.695 1.00 25.00 C ATOM 362 O GLN A 436 -32.034 -8.524 -35.314 1.00 25.00 O ATOM 363 CB GLN A 436 -30.889 -11.389 -34.251 1.00 25.00 C ATOM 364 CG GLN A 436 -31.809 -12.135 -33.312 1.00 25.00 C ATOM 365 CD GLN A 436 -32.440 -13.370 -33.938 1.00 25.00 C ATOM 366 OE1 GLN A 436 -33.497 -13.298 -34.566 1.00 25.00 O ATOM 367 NE2 GLN A 436 -31.810 -14.503 -33.762 1.00 25.00 N ATOM 0 H GLN A 436 -30.588 -12.436 -36.434 1.00 25.00 H new ATOM 0 HA GLN A 436 -32.683 -10.914 -35.370 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -30.078 -12.050 -34.557 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -30.435 -10.553 -33.718 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -31.248 -12.432 -32.426 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -32.599 -11.462 -32.978 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -30.936 -14.524 -33.236 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -32.192 -15.365 -34.151 1.00 25.00 H new ATOM 376 N VAL A 437 -30.115 -9.105 -36.297 1.00 25.00 N ATOM 377 CA VAL A 437 -29.741 -7.708 -36.549 1.00 25.00 C ATOM 378 C VAL A 437 -30.661 -7.064 -37.581 1.00 25.00 C ATOM 379 O VAL A 437 -30.953 -5.884 -37.491 1.00 25.00 O ATOM 380 CB VAL A 437 -28.252 -7.540 -36.985 1.00 25.00 C ATOM 381 CG1 VAL A 437 -27.315 -7.894 -35.820 1.00 25.00 C ATOM 382 CG2 VAL A 437 -27.895 -8.360 -38.198 1.00 25.00 C ATOM 0 H VAL A 437 -29.438 -9.797 -36.617 1.00 25.00 H new ATOM 0 HA VAL A 437 -29.858 -7.195 -35.595 1.00 25.00 H new ATOM 0 HB VAL A 437 -28.125 -6.493 -37.261 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -26.279 -7.773 -36.137 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -27.517 -7.233 -34.977 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -27.484 -8.928 -35.519 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -26.847 -8.199 -38.450 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -28.059 -9.416 -37.984 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -28.521 -8.058 -39.038 1.00 25.00 H new ATOM 392 N LEU A 438 -31.128 -7.846 -38.541 1.00 25.00 N ATOM 393 CA LEU A 438 -32.069 -7.359 -39.558 1.00 25.00 C ATOM 394 C LEU A 438 -33.494 -7.235 -39.010 1.00 25.00 C ATOM 395 O LEU A 438 -34.302 -6.481 -39.536 1.00 25.00 O ATOM 396 CB LEU A 438 -32.082 -8.304 -40.768 1.00 25.00 C ATOM 397 CG LEU A 438 -30.810 -8.323 -41.636 1.00 25.00 C ATOM 398 CD1 LEU A 438 -30.887 -9.487 -42.627 1.00 25.00 C ATOM 399 CD2 LEU A 438 -30.629 -7.008 -42.398 1.00 25.00 C ATOM 0 H LEU A 438 -30.873 -8.828 -38.644 1.00 25.00 H new ATOM 0 HA LEU A 438 -31.728 -6.368 -39.858 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -32.265 -9.317 -40.409 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -32.925 -8.034 -41.404 1.00 25.00 H new ATOM 0 HG LEU A 438 -29.951 -8.449 -40.977 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -29.987 -9.501 -43.242 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -30.968 -10.426 -42.080 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -31.761 -9.363 -43.266 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -29.721 -7.058 -43.000 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -31.487 -6.844 -43.049 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -30.549 -6.184 -41.689 1.00 25.00 H new ATOM 720 N ALA A 462 -18.775 -32.643 -45.153 1.00 25.00 N ATOM 721 CA ALA A 462 -17.670 -32.917 -44.248 1.00 25.00 C ATOM 722 C ALA A 462 -18.176 -33.601 -42.975 1.00 25.00 C ATOM 723 O ALA A 462 -17.539 -34.532 -42.483 1.00 25.00 O ATOM 724 CB ALA A 462 -16.933 -31.619 -43.904 1.00 25.00 C ATOM 0 HA ALA A 462 -16.973 -33.592 -44.745 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -16.108 -31.838 -43.226 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.543 -31.169 -44.817 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.623 -30.925 -43.424 1.00 25.00 H new ATOM 730 N LEU A 463 -19.315 -33.165 -42.441 1.00 25.00 N ATOM 731 CA LEU A 463 -19.848 -33.779 -41.228 1.00 25.00 C ATOM 732 C LEU A 463 -20.224 -35.232 -41.494 1.00 25.00 C ATOM 733 O LEU A 463 -20.057 -36.075 -40.630 1.00 25.00 O ATOM 734 CB LEU A 463 -21.017 -32.958 -40.658 1.00 25.00 C ATOM 735 CG LEU A 463 -22.482 -33.363 -40.917 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.980 -34.474 -39.990 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.343 -32.147 -40.716 1.00 25.00 C ATOM 0 H LEU A 463 -19.877 -32.403 -42.821 1.00 25.00 H new ATOM 0 HA LEU A 463 -19.073 -33.780 -40.462 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.883 -32.923 -39.577 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.899 -31.939 -41.027 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.540 -33.750 -41.934 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -24.018 -34.709 -40.228 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.366 -35.364 -40.127 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.912 -34.142 -38.954 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.387 -32.407 -40.894 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.228 -31.785 -39.694 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -23.039 -31.367 -41.414 1.00 25.00 H new ATOM 749 N GLN A 464 -20.703 -35.545 -42.691 1.00 25.00 N ATOM 750 CA GLN A 464 -21.015 -36.937 -43.028 1.00 25.00 C ATOM 751 C GLN A 464 -19.771 -37.822 -42.908 1.00 25.00 C ATOM 752 O GLN A 464 -19.857 -38.982 -42.504 1.00 25.00 O ATOM 753 CB GLN A 464 -21.612 -37.031 -44.430 1.00 25.00 C ATOM 754 CG GLN A 464 -22.979 -36.377 -44.533 1.00 25.00 C ATOM 755 CD GLN A 464 -23.566 -36.491 -45.912 1.00 25.00 C ATOM 756 OE1 GLN A 464 -23.252 -35.725 -46.810 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.431 -37.447 -46.086 1.00 25.00 N ATOM 0 H GLN A 464 -20.883 -34.872 -43.436 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.756 -37.299 -42.315 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.934 -36.559 -45.141 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.694 -38.080 -44.716 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.655 -36.839 -43.814 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.897 -35.324 -44.262 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.668 -38.067 -45.312 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.872 -37.576 -46.997 1.00 25.00 H new ATOM 766 N GLY A 465 -18.616 -37.263 -43.228 1.00 25.00 N ATOM 767 CA GLY A 465 -17.367 -37.984 -43.074 1.00 25.00 C ATOM 768 C GLY A 465 -17.021 -38.058 -41.603 1.00 25.00 C ATOM 769 O GLY A 465 -16.618 -39.105 -41.115 1.00 25.00 O ATOM 0 H GLY A 465 -18.519 -36.316 -43.594 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.457 -38.987 -43.491 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.571 -37.481 -43.623 1.00 25.00 H new ATOM 773 N ALA A 466 -17.201 -36.953 -40.889 1.00 25.00 N ATOM 774 CA ALA A 466 -16.914 -36.885 -39.455 1.00 25.00 C ATOM 775 C ALA A 466 -17.672 -37.974 -38.682 1.00 25.00 C ATOM 776 O ALA A 466 -17.142 -38.572 -37.761 1.00 25.00 O ATOM 777 CB ALA A 466 -17.273 -35.499 -38.907 1.00 25.00 C ATOM 0 H ALA A 466 -17.549 -36.079 -41.284 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.846 -37.057 -39.318 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -17.055 -35.462 -37.840 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.686 -34.740 -39.424 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.334 -35.308 -39.067 1.00 25.00 H new ATOM 783 N GLN A 467 -18.908 -38.231 -39.071 1.00 25.00 N ATOM 784 CA GLN A 467 -19.716 -39.270 -38.433 1.00 25.00 C ATOM 785 C GLN A 467 -19.102 -40.655 -38.638 1.00 25.00 C ATOM 786 O GLN A 467 -19.011 -41.456 -37.708 1.00 25.00 O ATOM 787 CB GLN A 467 -21.103 -39.275 -39.061 1.00 25.00 C ATOM 788 CG GLN A 467 -21.935 -38.020 -38.789 1.00 25.00 C ATOM 789 CD GLN A 467 -22.469 -37.939 -37.378 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.847 -38.933 -36.781 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.510 -36.745 -36.847 1.00 25.00 N ATOM 0 H GLN A 467 -19.381 -37.736 -39.827 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.763 -39.054 -37.366 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.998 -39.398 -40.139 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.650 -40.143 -38.693 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.324 -37.140 -38.988 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.772 -37.991 -39.487 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.184 -35.938 -37.380 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.868 -36.620 -35.900 1.00 25.00 H new ATOM 800 N ALA A 468 -18.690 -40.938 -39.866 1.00 25.00 N ATOM 801 CA ALA A 468 -18.129 -42.242 -40.198 1.00 25.00 C ATOM 802 C ALA A 468 -16.797 -42.458 -39.477 1.00 25.00 C ATOM 803 O ALA A 468 -16.546 -43.526 -38.915 1.00 25.00 O ATOM 804 CB ALA A 468 -17.942 -42.358 -41.718 1.00 25.00 C ATOM 0 H ALA A 468 -18.733 -40.284 -40.648 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.822 -43.015 -39.866 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.522 -43.335 -41.959 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -18.907 -42.245 -42.213 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.264 -41.577 -42.062 1.00 25.00 H new ATOM 810 N VAL A 469 -15.944 -41.445 -39.486 1.00 25.00 N ATOM 811 CA VAL A 469 -14.640 -41.568 -38.843 1.00 25.00 C ATOM 812 C VAL A 469 -14.795 -41.627 -37.328 1.00 25.00 C ATOM 813 O VAL A 469 -14.007 -42.274 -36.668 1.00 25.00 O ATOM 814 CB VAL A 469 -13.638 -40.439 -39.261 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.516 -40.376 -40.790 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.059 -39.089 -38.731 1.00 25.00 C ATOM 0 H VAL A 469 -16.124 -40.541 -39.923 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.205 -42.504 -39.193 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.670 -40.686 -38.825 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.817 -39.587 -41.067 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.152 -41.332 -41.166 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.493 -40.164 -41.225 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.337 -38.334 -39.043 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.043 -38.835 -39.124 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.101 -39.122 -37.642 1.00 25.00 H new ATOM 826 N ALA A 470 -15.808 -40.970 -36.773 1.00 25.00 N ATOM 827 CA ALA A 470 -16.019 -40.965 -35.321 1.00 25.00 C ATOM 828 C ALA A 470 -16.170 -42.384 -34.772 1.00 25.00 C ATOM 829 O ALA A 470 -15.722 -42.670 -33.660 1.00 25.00 O ATOM 830 CB ALA A 470 -17.250 -40.125 -34.961 1.00 25.00 C ATOM 0 H ALA A 470 -16.497 -40.434 -37.301 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.137 -40.519 -34.861 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.392 -40.132 -33.880 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.103 -39.100 -35.301 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.131 -40.545 -35.445 1.00 25.00 H new ATOM 836 N ALA A 471 -16.780 -43.271 -35.546 1.00 25.00 N ATOM 837 CA ALA A 471 -16.930 -44.660 -35.126 1.00 25.00 C ATOM 838 C ALA A 471 -15.549 -45.316 -34.987 1.00 25.00 C ATOM 839 O ALA A 471 -15.317 -46.104 -34.076 1.00 25.00 O ATOM 840 CB ALA A 471 -17.794 -45.424 -36.137 1.00 25.00 C ATOM 0 H ALA A 471 -17.177 -43.058 -36.461 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.427 -44.690 -34.156 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.900 -46.460 -35.815 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.778 -44.960 -36.198 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.318 -45.396 -37.117 1.00 25.00 H new ATOM 846 N ALA A 472 -14.633 -44.975 -35.879 1.00 25.00 N ATOM 847 CA ALA A 472 -13.268 -45.486 -35.810 1.00 25.00 C ATOM 848 C ALA A 472 -12.501 -44.827 -34.655 1.00 25.00 C ATOM 849 O ALA A 472 -11.665 -45.457 -34.026 1.00 25.00 O ATOM 850 CB ALA A 472 -12.544 -45.248 -37.143 1.00 25.00 C ATOM 0 H ALA A 472 -14.808 -44.345 -36.662 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.309 -46.559 -35.623 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.527 -45.634 -37.078 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.077 -45.762 -37.943 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.514 -44.179 -37.355 1.00 25.00 H new ATOM 856 N GLN A 473 -12.775 -43.559 -34.383 1.00 25.00 N ATOM 857 CA GLN A 473 -12.069 -42.840 -33.322 1.00 25.00 C ATOM 858 C GLN A 473 -12.435 -43.360 -31.938 1.00 25.00 C ATOM 859 O GLN A 473 -11.567 -43.581 -31.098 1.00 25.00 O ATOM 860 CB GLN A 473 -12.381 -41.334 -33.362 1.00 25.00 C ATOM 861 CG GLN A 473 -12.020 -40.613 -34.665 1.00 25.00 C ATOM 862 CD GLN A 473 -10.547 -40.332 -34.835 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.726 -40.655 -33.993 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.206 -39.733 -35.946 1.00 25.00 N ATOM 0 H GLN A 473 -13.476 -43.006 -34.877 1.00 25.00 H new ATOM 0 HA GLN A 473 -11.007 -43.008 -33.503 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.446 -41.198 -33.177 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.850 -40.850 -32.542 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.362 -41.216 -35.506 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.565 -39.670 -34.707 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.920 -39.478 -36.628 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.226 -39.521 -36.131 1.00 25.00 H new ATOM 873 N ARG A 474 -13.722 -43.571 -31.694 1.00 25.00 N ATOM 874 CA ARG A 474 -14.161 -44.095 -30.393 1.00 25.00 C ATOM 875 C ARG A 474 -13.599 -45.498 -30.204 1.00 25.00 C ATOM 876 O ARG A 474 -13.385 -45.951 -29.087 1.00 25.00 O ATOM 877 CB ARG A 474 -15.695 -44.093 -30.270 1.00 25.00 C ATOM 878 CG ARG A 474 -16.425 -45.001 -31.250 1.00 25.00 C ATOM 879 CD ARG A 474 -17.933 -44.914 -31.096 1.00 25.00 C ATOM 880 NE ARG A 474 -18.384 -45.473 -29.809 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.648 -45.550 -29.405 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.645 -45.111 -30.136 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.913 -46.080 -28.244 1.00 25.00 N ATOM 0 H ARG A 474 -14.473 -43.394 -32.361 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.781 -43.444 -29.606 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.963 -44.390 -29.256 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -16.053 -43.073 -30.409 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.149 -44.730 -32.269 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.104 -46.031 -31.096 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.247 -43.873 -31.170 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.414 -45.451 -31.914 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.668 -45.830 -29.177 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.463 -44.693 -31.049 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.602 -45.188 -29.792 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.155 -46.429 -27.658 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.879 -46.145 -27.922 1.00 25.00 H new ATOM 897 N LEU A 475 -13.355 -46.166 -31.318 1.00 25.00 N ATOM 898 CA LEU A 475 -12.780 -47.498 -31.317 1.00 25.00 C ATOM 899 C LEU A 475 -11.277 -47.452 -31.010 1.00 25.00 C ATOM 900 O LEU A 475 -10.820 -48.154 -30.119 1.00 25.00 O ATOM 901 CB LEU A 475 -13.055 -48.153 -32.682 1.00 25.00 C ATOM 902 CG LEU A 475 -11.993 -49.081 -33.287 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.846 -50.360 -32.451 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.368 -49.445 -34.712 1.00 25.00 C ATOM 0 H LEU A 475 -13.551 -45.799 -32.249 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.242 -48.095 -30.531 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.979 -48.724 -32.593 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.241 -47.354 -33.399 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.040 -48.552 -33.287 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.088 -51.002 -32.899 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.547 -50.099 -31.436 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.799 -50.888 -32.424 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.608 -50.104 -35.131 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.332 -49.955 -34.716 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.435 -48.538 -35.314 1.00 25.00 H new ATOM 916 N VAL A 476 -10.505 -46.651 -31.735 1.00 25.00 N ATOM 917 CA VAL A 476 -9.048 -46.646 -31.553 1.00 25.00 C ATOM 918 C VAL A 476 -8.697 -46.187 -30.144 1.00 25.00 C ATOM 919 O VAL A 476 -7.767 -46.701 -29.518 1.00 25.00 O ATOM 920 CB VAL A 476 -8.313 -45.802 -32.651 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.668 -44.330 -32.583 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.798 -45.984 -32.549 1.00 25.00 C ATOM 0 H VAL A 476 -10.850 -46.005 -32.444 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.690 -47.668 -31.676 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.655 -46.175 -33.616 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.133 -43.790 -33.364 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.741 -44.208 -32.728 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.385 -43.932 -31.608 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.307 -45.390 -33.320 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.457 -45.656 -31.567 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.548 -47.036 -32.688 1.00 25.00 H new ATOM 932 N HIS A 477 -9.462 -45.238 -29.633 1.00 25.00 N ATOM 933 CA HIS A 477 -9.254 -44.738 -28.297 1.00 25.00 C ATOM 934 C HIS A 477 -9.482 -45.845 -27.278 1.00 25.00 C ATOM 935 O HIS A 477 -8.793 -45.902 -26.275 1.00 25.00 O ATOM 936 CB HIS A 477 -10.197 -43.567 -28.037 1.00 25.00 C ATOM 937 CG HIS A 477 -9.832 -42.769 -26.825 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.655 -41.858 -26.211 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.679 -42.744 -26.104 1.00 25.00 C ATOM 940 CE1 HIS A 477 -9.997 -41.337 -25.177 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.786 -41.843 -25.065 1.00 25.00 N ATOM 0 H HIS A 477 -10.236 -44.800 -30.132 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.225 -44.392 -28.199 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.199 -42.911 -28.908 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.212 -43.946 -27.921 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.806 -43.343 -26.315 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.406 -40.591 -24.512 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.081 -41.618 -24.363 1.00 25.00 H new ATOM 949 N ALA A 478 -10.429 -46.739 -27.535 1.00 25.00 N ATOM 950 CA ALA A 478 -10.705 -47.813 -26.594 1.00 25.00 C ATOM 951 C ALA A 478 -9.458 -48.681 -26.400 1.00 25.00 C ATOM 952 O ALA A 478 -9.105 -49.019 -25.278 1.00 25.00 O ATOM 953 CB ALA A 478 -11.884 -48.662 -27.080 1.00 25.00 C ATOM 0 H ALA A 478 -11.010 -46.742 -28.374 1.00 25.00 H new ATOM 0 HA ALA A 478 -10.974 -47.374 -25.633 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.077 -49.461 -26.364 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.771 -48.035 -27.171 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.645 -49.095 -28.051 1.00 25.00 H new ATOM 959 N ILE A 479 -8.784 -49.031 -27.487 1.00 25.00 N ATOM 960 CA ILE A 479 -7.594 -49.881 -27.386 1.00 25.00 C ATOM 961 C ILE A 479 -6.456 -49.101 -26.756 1.00 25.00 C ATOM 962 O ILE A 479 -5.669 -49.651 -26.003 1.00 25.00 O ATOM 963 CB ILE A 479 -7.118 -50.409 -28.756 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.271 -51.082 -29.505 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.972 -51.432 -28.585 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.515 -50.440 -30.808 1.00 25.00 C ATOM 0 H ILE A 479 -9.031 -48.748 -28.435 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.875 -50.736 -26.771 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.758 -49.554 -29.329 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -8.042 -52.137 -29.655 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.176 -51.035 -28.900 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.654 -51.789 -29.564 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.131 -50.955 -28.082 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.322 -52.274 -27.988 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.340 -50.943 -31.313 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.769 -49.391 -30.655 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.617 -50.510 -31.422 1.00 25.00 H new ATOM 978 N ALA A 480 -6.379 -47.811 -27.048 1.00 25.00 N ATOM 979 CA ALA A 480 -5.333 -46.961 -26.490 1.00 25.00 C ATOM 980 C ALA A 480 -5.394 -46.995 -24.956 1.00 25.00 C ATOM 981 O ALA A 480 -4.390 -46.803 -24.272 1.00 25.00 O ATOM 982 CB ALA A 480 -5.494 -45.523 -27.015 1.00 25.00 C ATOM 0 H ALA A 480 -7.028 -47.328 -27.669 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.357 -47.334 -26.802 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.710 -44.892 -26.595 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.417 -45.522 -28.102 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.469 -45.135 -26.720 1.00 25.00 H new ATOM 988 N LEU A 481 -6.576 -47.254 -24.419 1.00 25.00 N ATOM 989 CA LEU A 481 -6.739 -47.373 -22.969 1.00 25.00 C ATOM 990 C LEU A 481 -6.326 -48.748 -22.515 1.00 25.00 C ATOM 991 O LEU A 481 -5.634 -48.898 -21.528 1.00 25.00 O ATOM 992 CB LEU A 481 -8.178 -47.105 -22.555 1.00 25.00 C ATOM 993 CG LEU A 481 -8.588 -45.710 -23.001 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.097 -45.647 -23.145 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.094 -44.629 -22.045 1.00 25.00 C ATOM 0 H LEU A 481 -7.433 -47.386 -24.956 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.101 -46.627 -22.495 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.839 -47.849 -23.000 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.278 -47.196 -21.473 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.119 -45.515 -23.965 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.391 -44.647 -23.465 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.422 -46.376 -23.888 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.564 -45.873 -22.186 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.412 -43.651 -22.406 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.511 -44.802 -21.053 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.006 -44.660 -21.992 1.00 25.00 H new ATOM 1007 N MET A 482 -6.745 -49.763 -23.249 1.00 25.00 N ATOM 1008 CA MET A 482 -6.416 -51.140 -22.892 1.00 25.00 C ATOM 1009 C MET A 482 -4.931 -51.364 -22.862 1.00 25.00 C ATOM 1010 O MET A 482 -4.437 -52.208 -22.121 1.00 25.00 O ATOM 1011 CB MET A 482 -7.023 -52.114 -23.893 1.00 25.00 C ATOM 1012 CG MET A 482 -8.486 -51.979 -23.921 1.00 25.00 C ATOM 1013 SD MET A 482 -9.352 -53.440 -24.520 1.00 25.00 S ATOM 1014 CE MET A 482 -9.156 -53.255 -26.293 1.00 25.00 C ATOM 0 H MET A 482 -7.311 -49.666 -24.092 1.00 25.00 H new ATOM 0 HA MET A 482 -6.827 -51.314 -21.898 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.615 -51.925 -24.886 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.751 -53.135 -23.626 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.838 -51.749 -22.915 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.749 -51.130 -24.552 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.642 -54.088 -26.802 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.612 -52.318 -26.614 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.095 -53.246 -26.543 1.00 25.00 H new ATOM 1024 N THR A 483 -4.204 -50.614 -23.665 1.00 25.00 N ATOM 1025 CA THR A 483 -2.770 -50.846 -23.744 1.00 25.00 C ATOM 1026 C THR A 483 -2.088 -50.270 -22.515 1.00 25.00 C ATOM 1027 O THR A 483 -1.147 -50.861 -21.990 1.00 25.00 O ATOM 1028 CB THR A 483 -2.187 -50.271 -25.034 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.584 -48.907 -25.167 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.717 -51.049 -26.235 1.00 25.00 C ATOM 0 H THR A 483 -4.563 -49.863 -24.255 1.00 25.00 H new ATOM 0 HA THR A 483 -2.588 -51.920 -23.766 1.00 25.00 H new ATOM 0 HB THR A 483 -1.100 -50.346 -24.995 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.210 -48.536 -25.993 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.297 -50.634 -27.151 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.429 -52.096 -26.146 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.804 -50.973 -26.267 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.568 -49.132 -22.038 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.986 -48.513 -20.852 1.00 25.00 C ATOM 1040 C GLN A 484 -2.569 -49.039 -19.543 1.00 25.00 C ATOM 1041 O GLN A 484 -1.944 -48.889 -18.494 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.104 -46.985 -20.923 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.524 -46.453 -20.884 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.578 -44.962 -21.097 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.275 -44.188 -20.207 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -3.955 -44.553 -22.279 1.00 25.00 N ATOM 0 H GLN A 484 -3.350 -48.621 -22.447 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.932 -48.792 -20.850 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.546 -46.553 -20.092 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.627 -46.640 -21.841 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.118 -46.950 -21.651 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -3.976 -46.698 -19.923 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.201 -45.232 -22.999 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.003 -43.555 -22.482 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.742 -49.661 -19.581 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.306 -50.270 -18.397 1.00 25.00 C ATOM 1057 C PHE A 485 -3.817 -51.705 -18.229 1.00 25.00 C ATOM 1058 O PHE A 485 -3.603 -52.163 -17.116 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.830 -50.266 -18.480 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.464 -49.056 -17.843 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.592 -47.845 -18.552 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.930 -49.121 -16.516 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.178 -46.706 -17.946 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.519 -47.987 -15.898 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.643 -46.781 -16.616 1.00 25.00 C ATOM 0 H PHE A 485 -4.315 -49.753 -20.420 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.981 -49.686 -17.536 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.129 -50.314 -19.527 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.215 -51.164 -17.997 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.239 -47.784 -19.571 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.838 -50.044 -15.962 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.268 -45.784 -18.500 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.872 -48.048 -14.879 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.093 -45.917 -16.150 1.00 25.00 H new