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 139:sc= -0.048 (180deg=-0.985) USER MOD Single : A 433 MET CE :methyl -164:sc= 0 (180deg=-0.362) USER MOD Single : A 434 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 436 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 464 GLN : amide:sc=-0.00828 X(o=-0.0083,f=0) USER MOD Single : A 467 GLN : amide:sc=-0.00428 K(o=-0.0043,f=-0.91) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 477 HIS : no HD1:sc= -0.0448 X(o=-0.045,f=-0.0022) USER MOD Single : A 482 MET CE :methyl 179:sc= 0 (180deg=-3.07e-05) USER MOD Single : A 483 THR OG1 : rot 6:sc= 0.254 USER MOD Single : A 484 GLN : amide:sc= 0.476 X(o=0.48,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -4.210 -34.824 -73.190 1.00 25.00 N ATOM 114 CA GLU A 419 -4.603 -33.460 -72.852 1.00 25.00 C ATOM 115 C GLU A 419 -5.680 -33.449 -71.766 1.00 25.00 C ATOM 116 O GLU A 419 -5.784 -32.505 -71.013 1.00 25.00 O ATOM 117 CB GLU A 419 -5.135 -32.770 -74.111 1.00 25.00 C ATOM 118 CG GLU A 419 -4.070 -32.614 -75.201 1.00 25.00 C ATOM 119 CD GLU A 419 -4.648 -32.122 -76.519 1.00 25.00 C ATOM 120 OE1 GLU A 419 -5.852 -32.356 -76.757 1.00 25.00 O ATOM 121 OE2 GLU A 419 -3.909 -31.532 -77.326 1.00 25.00 O ATOM 0 HA GLU A 419 -3.732 -32.929 -72.469 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -5.972 -33.344 -74.508 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -5.521 -31.786 -73.844 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -3.307 -31.915 -74.860 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -3.576 -33.572 -75.361 1.00 25.00 H new ATOM 128 N VAL A 420 -6.473 -34.512 -71.678 1.00 25.00 N ATOM 129 CA VAL A 420 -7.516 -34.616 -70.656 1.00 25.00 C ATOM 130 C VAL A 420 -6.849 -34.865 -69.300 1.00 25.00 C ATOM 131 O VAL A 420 -7.309 -34.374 -68.273 1.00 25.00 O ATOM 132 CB VAL A 420 -8.524 -35.766 -70.988 1.00 25.00 C ATOM 133 CG1 VAL A 420 -9.624 -35.883 -69.916 1.00 25.00 C ATOM 134 CG2 VAL A 420 -9.172 -35.516 -72.356 1.00 25.00 C ATOM 0 H VAL A 420 -6.415 -35.317 -72.302 1.00 25.00 H new ATOM 0 HA VAL A 420 -8.083 -33.686 -70.628 1.00 25.00 H new ATOM 0 HB VAL A 420 -7.964 -36.701 -71.007 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -10.305 -36.692 -70.180 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -9.168 -36.094 -68.949 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -10.178 -34.946 -69.859 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -9.872 -36.321 -72.579 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -9.705 -34.566 -72.338 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -8.399 -35.484 -73.124 1.00 25.00 H new ATOM 144 N SER A 421 -5.757 -35.614 -69.298 1.00 25.00 N ATOM 145 CA SER A 421 -5.034 -35.882 -68.060 1.00 25.00 C ATOM 146 C SER A 421 -4.395 -34.599 -67.556 1.00 25.00 C ATOM 147 O SER A 421 -4.389 -34.325 -66.359 1.00 25.00 O ATOM 148 CB SER A 421 -3.940 -36.912 -68.300 1.00 25.00 C ATOM 149 OG SER A 421 -4.498 -38.110 -68.815 1.00 25.00 O ATOM 0 H SER A 421 -5.353 -36.044 -70.130 1.00 25.00 H new ATOM 0 HA SER A 421 -5.738 -36.266 -67.322 1.00 25.00 H new ATOM 0 HB2 SER A 421 -3.204 -36.515 -68.999 1.00 25.00 H new ATOM 0 HB3 SER A 421 -3.414 -37.119 -67.368 1.00 25.00 H new ATOM 0 HG SER A 421 -3.784 -38.764 -68.967 1.00 25.00 H new ATOM 155 N ASP A 422 -3.870 -33.813 -68.481 1.00 25.00 N ATOM 156 CA ASP A 422 -3.247 -32.541 -68.140 1.00 25.00 C ATOM 157 C ASP A 422 -4.324 -31.585 -67.653 1.00 25.00 C ATOM 158 O ASP A 422 -4.117 -30.811 -66.730 1.00 25.00 O ATOM 159 CB ASP A 422 -2.546 -31.941 -69.359 1.00 25.00 C ATOM 160 CG ASP A 422 -1.348 -32.762 -69.813 1.00 25.00 C ATOM 161 OD1 ASP A 422 -0.696 -33.407 -68.967 1.00 25.00 O ATOM 162 OD2 ASP A 422 -1.057 -32.752 -71.028 1.00 25.00 O ATOM 0 H ASP A 422 -3.862 -34.032 -69.477 1.00 25.00 H new ATOM 0 HA ASP A 422 -2.503 -32.704 -67.360 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -3.259 -31.862 -70.180 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -2.218 -30.929 -69.122 1.00 25.00 H new ATOM 167 N MET A 423 -5.491 -31.654 -68.275 1.00 25.00 N ATOM 168 CA MET A 423 -6.615 -30.786 -67.924 1.00 25.00 C ATOM 169 C MET A 423 -7.112 -31.074 -66.509 1.00 25.00 C ATOM 170 O MET A 423 -7.553 -30.175 -65.810 1.00 25.00 O ATOM 171 CB MET A 423 -7.748 -30.972 -68.940 1.00 25.00 C ATOM 172 CG MET A 423 -8.973 -30.095 -68.715 1.00 25.00 C ATOM 173 SD MET A 423 -10.151 -30.218 -70.101 1.00 25.00 S ATOM 174 CE MET A 423 -10.627 -31.961 -70.030 1.00 25.00 C ATOM 0 H MET A 423 -5.690 -32.307 -69.033 1.00 25.00 H new ATOM 0 HA MET A 423 -6.276 -29.751 -67.951 1.00 25.00 H new ATOM 0 HB2 MET A 423 -7.356 -30.772 -69.937 1.00 25.00 H new ATOM 0 HB3 MET A 423 -8.061 -32.016 -68.924 1.00 25.00 H new ATOM 0 HG2 MET A 423 -9.467 -30.390 -67.789 1.00 25.00 H new ATOM 0 HG3 MET A 423 -8.661 -29.058 -68.593 1.00 25.00 H new ATOM 0 HE1 MET A 423 -11.698 -32.053 -70.208 1.00 25.00 H new ATOM 0 HE2 MET A 423 -10.083 -32.518 -70.793 1.00 25.00 H new ATOM 0 HE3 MET A 423 -10.386 -32.364 -69.046 1.00 25.00 H new ATOM 184 N ALA A 424 -7.020 -32.323 -66.072 1.00 25.00 N ATOM 185 CA ALA A 424 -7.423 -32.679 -64.714 1.00 25.00 C ATOM 186 C ALA A 424 -6.524 -31.959 -63.691 1.00 25.00 C ATOM 187 O ALA A 424 -6.967 -31.587 -62.600 1.00 25.00 O ATOM 188 CB ALA A 424 -7.343 -34.203 -64.525 1.00 25.00 C ATOM 0 H ALA A 424 -6.673 -33.102 -66.631 1.00 25.00 H new ATOM 0 HA ALA A 424 -8.453 -32.363 -64.553 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -7.645 -34.460 -63.510 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -8.008 -34.693 -65.236 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -6.320 -34.537 -64.695 1.00 25.00 H new ATOM 194 N ALA A 425 -5.264 -31.749 -64.052 1.00 25.00 N ATOM 195 CA ALA A 425 -4.341 -31.028 -63.183 1.00 25.00 C ATOM 196 C ALA A 425 -4.687 -29.533 -63.200 1.00 25.00 C ATOM 197 O ALA A 425 -4.584 -28.854 -62.180 1.00 25.00 O ATOM 198 CB ALA A 425 -2.897 -31.253 -63.639 1.00 25.00 C ATOM 0 H ALA A 425 -4.860 -32.065 -64.934 1.00 25.00 H new ATOM 0 HA ALA A 425 -4.437 -31.403 -62.164 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -2.219 -30.709 -62.981 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -2.665 -32.317 -63.600 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -2.778 -30.893 -64.661 1.00 25.00 H new ATOM 204 N VAL A 426 -5.112 -29.037 -64.357 1.00 25.00 N ATOM 205 CA VAL A 426 -5.519 -27.636 -64.491 1.00 25.00 C ATOM 206 C VAL A 426 -6.749 -27.395 -63.625 1.00 25.00 C ATOM 207 O VAL A 426 -6.811 -26.402 -62.918 1.00 25.00 O ATOM 208 CB VAL A 426 -5.844 -27.262 -65.976 1.00 25.00 C ATOM 209 CG1 VAL A 426 -6.355 -25.821 -66.089 1.00 25.00 C ATOM 210 CG2 VAL A 426 -4.599 -27.423 -66.847 1.00 25.00 C ATOM 0 H VAL A 426 -5.185 -29.581 -65.217 1.00 25.00 H new ATOM 0 HA VAL A 426 -4.690 -27.007 -64.166 1.00 25.00 H new ATOM 0 HB VAL A 426 -6.626 -27.938 -66.322 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -6.572 -25.593 -67.133 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -7.263 -25.710 -65.497 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -5.594 -25.135 -65.718 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -4.839 -27.160 -67.877 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -3.810 -26.767 -66.479 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -4.258 -28.458 -66.807 1.00 25.00 H new ATOM 220 N GLU A 427 -7.711 -28.306 -63.658 1.00 25.00 N ATOM 221 CA GLU A 427 -8.914 -28.169 -62.840 1.00 25.00 C ATOM 222 C GLU A 427 -8.554 -28.043 -61.363 1.00 25.00 C ATOM 223 O GLU A 427 -9.103 -27.205 -60.653 1.00 25.00 O ATOM 224 CB GLU A 427 -9.835 -29.379 -63.015 1.00 25.00 C ATOM 225 CG GLU A 427 -10.649 -29.380 -64.300 1.00 25.00 C ATOM 226 CD GLU A 427 -11.635 -30.543 -64.337 1.00 25.00 C ATOM 227 OE1 GLU A 427 -12.858 -30.287 -64.357 1.00 25.00 O ATOM 228 OE2 GLU A 427 -11.189 -31.713 -64.330 1.00 25.00 O ATOM 0 H GLU A 427 -7.685 -29.145 -64.238 1.00 25.00 H new ATOM 0 HA GLU A 427 -9.429 -27.267 -63.171 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -9.231 -30.286 -62.984 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -10.519 -29.423 -62.168 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -11.192 -28.439 -64.389 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -9.978 -29.443 -65.157 1.00 25.00 H new ATOM 235 N ALA A 428 -7.622 -28.865 -60.902 1.00 25.00 N ATOM 236 CA ALA A 428 -7.209 -28.816 -59.502 1.00 25.00 C ATOM 237 C ALA A 428 -6.576 -27.459 -59.166 1.00 25.00 C ATOM 238 O ALA A 428 -6.846 -26.883 -58.106 1.00 25.00 O ATOM 239 CB ALA A 428 -6.228 -29.960 -59.208 1.00 25.00 C ATOM 0 H ALA A 428 -7.141 -29.566 -61.466 1.00 25.00 H new ATOM 0 HA ALA A 428 -8.091 -28.937 -58.873 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -5.923 -29.918 -58.162 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -6.713 -30.916 -59.407 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -5.350 -29.859 -59.846 1.00 25.00 H new ATOM 245 N ALA A 429 -5.750 -26.952 -60.070 1.00 25.00 N ATOM 246 CA ALA A 429 -5.084 -25.672 -59.873 1.00 25.00 C ATOM 247 C ALA A 429 -6.102 -24.523 -59.870 1.00 25.00 C ATOM 248 O ALA A 429 -6.031 -23.627 -59.035 1.00 25.00 O ATOM 249 CB ALA A 429 -4.034 -25.453 -60.975 1.00 25.00 C ATOM 0 H ALA A 429 -5.524 -27.411 -60.952 1.00 25.00 H new ATOM 0 HA ALA A 429 -4.585 -25.686 -58.904 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -3.540 -24.494 -60.821 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -3.294 -26.253 -60.937 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -4.523 -25.457 -61.949 1.00 25.00 H new ATOM 255 N GLU A 430 -7.056 -24.554 -60.791 1.00 25.00 N ATOM 256 CA GLU A 430 -8.070 -23.504 -60.864 1.00 25.00 C ATOM 257 C GLU A 430 -8.902 -23.510 -59.587 1.00 25.00 C ATOM 258 O GLU A 430 -9.213 -22.460 -59.026 1.00 25.00 O ATOM 259 CB GLU A 430 -8.994 -23.708 -62.072 1.00 25.00 C ATOM 260 CG GLU A 430 -8.292 -23.603 -63.411 1.00 25.00 C ATOM 261 CD GLU A 430 -8.873 -22.513 -64.294 1.00 25.00 C ATOM 262 OE1 GLU A 430 -8.556 -21.326 -64.062 1.00 25.00 O ATOM 263 OE2 GLU A 430 -9.641 -22.845 -65.223 1.00 25.00 O ATOM 0 H GLU A 430 -7.151 -25.287 -61.494 1.00 25.00 H new ATOM 0 HA GLU A 430 -7.561 -22.546 -60.977 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -9.463 -24.689 -61.996 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -9.794 -22.968 -62.034 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -7.233 -23.405 -63.247 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -8.361 -24.560 -63.929 1.00 25.00 H new ATOM 270 N LEU A 431 -9.251 -24.698 -59.117 1.00 25.00 N ATOM 271 CA LEU A 431 -10.061 -24.826 -57.912 1.00 25.00 C ATOM 272 C LEU A 431 -9.371 -24.228 -56.686 1.00 25.00 C ATOM 273 O LEU A 431 -10.023 -23.539 -55.893 1.00 25.00 O ATOM 274 CB LEU A 431 -10.394 -26.298 -57.652 1.00 25.00 C ATOM 275 CG LEU A 431 -11.544 -26.877 -58.495 1.00 25.00 C ATOM 276 CD1 LEU A 431 -11.553 -28.396 -58.372 1.00 25.00 C ATOM 277 CD2 LEU A 431 -12.903 -26.311 -58.058 1.00 25.00 C ATOM 0 H LEU A 431 -8.988 -25.584 -59.548 1.00 25.00 H new ATOM 0 HA LEU A 431 -10.980 -24.265 -58.081 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -9.499 -26.892 -57.834 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -10.645 -26.415 -56.598 1.00 25.00 H new ATOM 0 HG LEU A 431 -11.381 -26.590 -59.534 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -12.368 -28.805 -58.970 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -10.604 -28.796 -58.730 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -11.693 -28.676 -57.328 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -13.692 -26.742 -58.675 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -13.082 -26.562 -57.012 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -12.901 -25.227 -58.176 1.00 25.00 H new ATOM 289 N GLU A 432 -8.080 -24.476 -56.500 1.00 25.00 N ATOM 290 CA GLU A 432 -7.388 -23.905 -55.344 1.00 25.00 C ATOM 291 C GLU A 432 -7.144 -22.403 -55.534 1.00 25.00 C ATOM 292 O GLU A 432 -7.235 -21.633 -54.574 1.00 25.00 O ATOM 293 CB GLU A 432 -6.093 -24.654 -54.997 1.00 25.00 C ATOM 294 CG GLU A 432 -4.957 -24.563 -56.010 1.00 25.00 C ATOM 295 CD GLU A 432 -3.724 -25.347 -55.560 1.00 25.00 C ATOM 296 OE1 GLU A 432 -3.705 -25.829 -54.404 1.00 25.00 O ATOM 297 OE2 GLU A 432 -2.773 -25.469 -56.356 1.00 25.00 O ATOM 0 H GLU A 432 -7.502 -25.051 -57.113 1.00 25.00 H new ATOM 0 HA GLU A 432 -8.048 -24.032 -54.486 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -5.728 -24.278 -54.041 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -6.337 -25.707 -54.853 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -5.298 -24.945 -56.972 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -4.687 -23.518 -56.159 1.00 25.00 H new ATOM 304 N MET A 433 -6.868 -21.967 -56.758 1.00 25.00 N ATOM 305 CA MET A 433 -6.666 -20.539 -57.018 1.00 25.00 C ATOM 306 C MET A 433 -7.954 -19.780 -56.740 1.00 25.00 C ATOM 307 O MET A 433 -7.909 -18.676 -56.205 1.00 25.00 O ATOM 308 CB MET A 433 -6.226 -20.274 -58.460 1.00 25.00 C ATOM 309 CG MET A 433 -4.763 -20.592 -58.730 1.00 25.00 C ATOM 310 SD MET A 433 -4.206 -19.984 -60.341 1.00 25.00 S ATOM 311 CE MET A 433 -5.083 -21.091 -61.497 1.00 25.00 C ATOM 0 H MET A 433 -6.779 -22.568 -57.577 1.00 25.00 H new ATOM 0 HA MET A 433 -5.872 -20.195 -56.355 1.00 25.00 H new ATOM 0 HB2 MET A 433 -6.846 -20.867 -59.133 1.00 25.00 H new ATOM 0 HB3 MET A 433 -6.409 -19.226 -58.698 1.00 25.00 H new ATOM 0 HG2 MET A 433 -4.148 -20.150 -57.946 1.00 25.00 H new ATOM 0 HG3 MET A 433 -4.614 -21.671 -58.681 1.00 25.00 H new ATOM 0 HE1 MET A 433 -4.626 -21.023 -62.484 1.00 25.00 H new ATOM 0 HE2 MET A 433 -5.018 -22.118 -61.137 1.00 25.00 H new ATOM 0 HE3 MET A 433 -6.130 -20.795 -61.561 1.00 25.00 H new ATOM 321 N THR A 434 -9.089 -20.373 -57.078 1.00 25.00 N ATOM 322 CA THR A 434 -10.391 -19.751 -56.822 1.00 25.00 C ATOM 323 C THR A 434 -10.561 -19.469 -55.329 1.00 25.00 C ATOM 324 O THR A 434 -11.111 -18.444 -54.939 1.00 25.00 O ATOM 325 CB THR A 434 -11.561 -20.649 -57.307 1.00 25.00 C ATOM 326 OG1 THR A 434 -11.408 -20.930 -58.698 1.00 25.00 O ATOM 327 CG2 THR A 434 -12.895 -19.950 -57.142 1.00 25.00 C ATOM 0 H THR A 434 -9.141 -21.285 -57.531 1.00 25.00 H new ATOM 0 HA THR A 434 -10.418 -18.816 -57.381 1.00 25.00 H new ATOM 0 HB THR A 434 -11.540 -21.560 -56.709 1.00 25.00 H new ATOM 0 HG1 THR A 434 -10.713 -21.610 -58.820 1.00 25.00 H new ATOM 0 HG21 THR A 434 -13.694 -20.604 -57.490 1.00 25.00 H new ATOM 0 HG22 THR A 434 -13.053 -19.712 -56.090 1.00 25.00 H new ATOM 0 HG23 THR A 434 -12.899 -19.030 -57.727 1.00 25.00 H new ATOM 335 N ARG A 435 -10.074 -20.355 -54.476 1.00 25.00 N ATOM 336 CA ARG A 435 -10.187 -20.116 -53.031 1.00 25.00 C ATOM 337 C ARG A 435 -9.344 -18.913 -52.654 1.00 25.00 C ATOM 338 O ARG A 435 -9.794 -18.035 -51.938 1.00 25.00 O ATOM 339 CB ARG A 435 -9.716 -21.333 -52.220 1.00 25.00 C ATOM 340 CG ARG A 435 -10.466 -22.621 -52.519 1.00 25.00 C ATOM 341 CD ARG A 435 -11.943 -22.513 -52.186 1.00 25.00 C ATOM 342 NE ARG A 435 -12.665 -23.734 -52.571 1.00 25.00 N ATOM 343 CZ ARG A 435 -13.973 -23.916 -52.455 1.00 25.00 C ATOM 344 NH1 ARG A 435 -14.769 -22.995 -51.966 1.00 25.00 N ATOM 345 NH2 ARG A 435 -14.492 -25.046 -52.846 1.00 25.00 N ATOM 0 H ARG A 435 -9.609 -21.224 -54.739 1.00 25.00 H new ATOM 0 HA ARG A 435 -11.237 -19.935 -52.799 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -8.655 -21.493 -52.412 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -9.817 -21.107 -51.158 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -10.350 -22.871 -53.574 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -10.025 -23.438 -51.948 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -12.066 -22.336 -51.117 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -12.373 -21.655 -52.702 1.00 25.00 H new ATOM 0 HE ARG A 435 -12.116 -24.502 -52.958 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -14.386 -22.101 -51.659 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -15.771 -23.173 -51.893 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -13.893 -25.775 -53.235 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -15.497 -25.201 -52.763 1.00 25.00 H new ATOM 359 N GLN A 436 -8.125 -18.877 -53.152 1.00 25.00 N ATOM 360 CA GLN A 436 -7.204 -17.801 -52.815 1.00 25.00 C ATOM 361 C GLN A 436 -7.679 -16.430 -53.282 1.00 25.00 C ATOM 362 O GLN A 436 -7.587 -15.462 -52.537 1.00 25.00 O ATOM 363 CB GLN A 436 -5.832 -18.099 -53.419 1.00 25.00 C ATOM 364 CG GLN A 436 -4.873 -18.783 -52.451 1.00 25.00 C ATOM 365 CD GLN A 436 -5.325 -20.165 -52.025 1.00 25.00 C ATOM 366 OE1 GLN A 436 -6.083 -20.320 -51.072 1.00 25.00 O ATOM 367 NE2 GLN A 436 -4.856 -21.172 -52.711 1.00 25.00 N ATOM 0 H GLN A 436 -7.746 -19.577 -53.790 1.00 25.00 H new ATOM 0 HA GLN A 436 -7.150 -17.761 -51.727 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -5.961 -18.732 -54.297 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -5.385 -17.166 -53.761 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -3.891 -18.859 -52.918 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -4.757 -18.159 -51.565 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -4.228 -21.005 -53.497 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -5.118 -22.126 -52.461 1.00 25.00 H new ATOM 376 N VAL A 437 -8.200 -16.336 -54.495 1.00 25.00 N ATOM 377 CA VAL A 437 -8.669 -15.042 -55.008 1.00 25.00 C ATOM 378 C VAL A 437 -9.890 -14.531 -54.248 1.00 25.00 C ATOM 379 O VAL A 437 -9.998 -13.344 -53.986 1.00 25.00 O ATOM 380 CB VAL A 437 -8.964 -15.066 -56.545 1.00 25.00 C ATOM 381 CG1 VAL A 437 -7.659 -15.332 -57.325 1.00 25.00 C ATOM 382 CG2 VAL A 437 -10.018 -16.090 -56.929 1.00 25.00 C ATOM 0 H VAL A 437 -8.311 -17.120 -55.139 1.00 25.00 H new ATOM 0 HA VAL A 437 -7.844 -14.350 -54.842 1.00 25.00 H new ATOM 0 HB VAL A 437 -9.364 -14.087 -56.809 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -7.871 -15.348 -58.394 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -6.939 -14.543 -57.109 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -7.244 -16.294 -57.023 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -10.179 -16.060 -58.007 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -9.680 -17.085 -56.641 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -10.952 -15.861 -56.416 1.00 25.00 H new ATOM 392 N LEU A 438 -10.800 -15.419 -53.872 1.00 25.00 N ATOM 393 CA LEU A 438 -11.987 -15.016 -53.114 1.00 25.00 C ATOM 394 C LEU A 438 -11.605 -14.566 -51.710 1.00 25.00 C ATOM 395 O LEU A 438 -12.192 -13.636 -51.165 1.00 25.00 O ATOM 396 CB LEU A 438 -12.990 -16.174 -53.023 1.00 25.00 C ATOM 397 CG LEU A 438 -13.741 -16.523 -54.323 1.00 25.00 C ATOM 398 CD1 LEU A 438 -14.539 -17.810 -54.120 1.00 25.00 C ATOM 399 CD2 LEU A 438 -14.677 -15.396 -54.749 1.00 25.00 C ATOM 0 H LEU A 438 -10.745 -16.417 -54.075 1.00 25.00 H new ATOM 0 HA LEU A 438 -12.450 -14.182 -53.641 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -12.458 -17.063 -52.685 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -13.726 -15.932 -52.256 1.00 25.00 H new ATOM 0 HG LEU A 438 -13.005 -16.662 -55.114 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -15.070 -18.057 -55.039 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -13.860 -18.623 -53.864 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -15.257 -17.669 -53.312 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -15.190 -15.677 -55.669 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -15.412 -15.217 -53.964 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -14.099 -14.488 -54.919 1.00 25.00 H new ATOM 720 N ALA A 462 -18.564 -33.278 -45.354 1.00 25.00 N ATOM 721 CA ALA A 462 -17.617 -33.158 -44.257 1.00 25.00 C ATOM 722 C ALA A 462 -18.189 -33.788 -42.983 1.00 25.00 C ATOM 723 O ALA A 462 -17.504 -34.544 -42.300 1.00 25.00 O ATOM 724 CB ALA A 462 -17.284 -31.686 -44.018 1.00 25.00 C ATOM 0 HA ALA A 462 -16.703 -33.690 -44.522 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -16.574 -31.603 -43.195 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.845 -31.261 -44.921 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -18.195 -31.143 -43.768 1.00 25.00 H new ATOM 730 N LEU A 463 -19.445 -33.491 -42.669 1.00 25.00 N ATOM 731 CA LEU A 463 -20.060 -34.039 -41.466 1.00 25.00 C ATOM 732 C LEU A 463 -20.210 -35.552 -41.579 1.00 25.00 C ATOM 733 O LEU A 463 -19.964 -36.253 -40.621 1.00 25.00 O ATOM 734 CB LEU A 463 -21.394 -33.332 -41.147 1.00 25.00 C ATOM 735 CG LEU A 463 -22.760 -33.900 -41.592 1.00 25.00 C ATOM 736 CD1 LEU A 463 -23.280 -35.014 -40.671 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.769 -32.770 -41.589 1.00 25.00 C ATOM 0 H LEU A 463 -20.050 -32.883 -43.221 1.00 25.00 H new ATOM 0 HA LEU A 463 -19.400 -33.846 -40.621 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -21.439 -33.224 -40.063 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -21.323 -32.328 -41.564 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.626 -34.333 -42.583 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -24.243 -35.370 -41.038 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.568 -35.839 -40.660 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -23.399 -34.624 -39.660 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.742 -33.150 -41.901 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.847 -32.354 -40.584 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -23.445 -31.991 -42.280 1.00 25.00 H new ATOM 749 N GLN A 464 -20.587 -36.069 -42.737 1.00 25.00 N ATOM 750 CA GLN A 464 -20.723 -37.514 -42.903 1.00 25.00 C ATOM 751 C GLN A 464 -19.383 -38.212 -42.738 1.00 25.00 C ATOM 752 O GLN A 464 -19.317 -39.325 -42.219 1.00 25.00 O ATOM 753 CB GLN A 464 -21.337 -37.837 -44.256 1.00 25.00 C ATOM 754 CG GLN A 464 -22.800 -37.466 -44.309 1.00 25.00 C ATOM 755 CD GLN A 464 -23.426 -37.803 -45.632 1.00 25.00 C ATOM 756 OE1 GLN A 464 -23.104 -37.234 -46.665 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.329 -38.733 -45.605 1.00 25.00 N ATOM 0 H GLN A 464 -20.803 -35.521 -43.569 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.389 -37.884 -42.124 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.797 -37.302 -45.037 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.224 -38.901 -44.462 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.334 -37.987 -43.514 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.909 -36.398 -44.120 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.570 -39.184 -44.723 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.798 -39.013 -46.466 1.00 25.00 H new ATOM 766 N GLY A 465 -18.312 -37.551 -43.149 1.00 25.00 N ATOM 767 CA GLY A 465 -16.981 -38.094 -42.957 1.00 25.00 C ATOM 768 C GLY A 465 -16.710 -38.132 -41.474 1.00 25.00 C ATOM 769 O GLY A 465 -16.291 -39.149 -40.947 1.00 25.00 O ATOM 0 H GLY A 465 -18.340 -36.644 -43.614 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -16.911 -39.094 -43.384 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.240 -37.478 -43.465 1.00 25.00 H new ATOM 773 N ALA A 466 -16.982 -37.026 -40.791 1.00 25.00 N ATOM 774 CA ALA A 466 -16.781 -36.934 -39.350 1.00 25.00 C ATOM 775 C ALA A 466 -17.564 -38.027 -38.606 1.00 25.00 C ATOM 776 O ALA A 466 -17.077 -38.586 -37.644 1.00 25.00 O ATOM 777 CB ALA A 466 -17.197 -35.555 -38.861 1.00 25.00 C ATOM 0 H ALA A 466 -17.346 -36.173 -41.217 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.722 -37.086 -39.140 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -17.045 -35.490 -37.784 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.594 -34.795 -39.359 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.250 -35.390 -39.090 1.00 25.00 H new ATOM 783 N GLN A 467 -18.769 -38.334 -39.060 1.00 25.00 N ATOM 784 CA GLN A 467 -19.576 -39.383 -38.427 1.00 25.00 C ATOM 785 C GLN A 467 -18.926 -40.754 -38.619 1.00 25.00 C ATOM 786 O GLN A 467 -18.836 -41.549 -37.688 1.00 25.00 O ATOM 787 CB GLN A 467 -20.965 -39.434 -39.061 1.00 25.00 C ATOM 788 CG GLN A 467 -21.822 -38.184 -38.868 1.00 25.00 C ATOM 789 CD GLN A 467 -22.448 -38.056 -37.500 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.639 -39.022 -36.784 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.780 -36.843 -37.139 1.00 25.00 N ATOM 0 H GLN A 467 -19.213 -37.880 -39.858 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.648 -39.148 -37.365 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.851 -39.614 -40.130 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.502 -40.289 -38.650 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.206 -37.305 -39.055 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.614 -38.183 -39.617 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.604 -36.058 -37.766 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -23.215 -36.682 -36.230 1.00 25.00 H new ATOM 800 N ALA A 468 -18.482 -41.028 -39.836 1.00 25.00 N ATOM 801 CA ALA A 468 -17.880 -42.318 -40.153 1.00 25.00 C ATOM 802 C ALA A 468 -16.582 -42.506 -39.372 1.00 25.00 C ATOM 803 O ALA A 468 -16.334 -43.565 -38.790 1.00 25.00 O ATOM 804 CB ALA A 468 -17.623 -42.417 -41.654 1.00 25.00 C ATOM 0 H ALA A 468 -18.526 -40.377 -40.620 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.570 -43.111 -39.863 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.173 -43.383 -41.883 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -18.566 -42.319 -42.192 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -16.946 -41.620 -41.961 1.00 25.00 H new ATOM 810 N VAL A 469 -15.748 -41.479 -39.343 1.00 25.00 N ATOM 811 CA VAL A 469 -14.488 -41.585 -38.624 1.00 25.00 C ATOM 812 C VAL A 469 -14.726 -41.621 -37.124 1.00 25.00 C ATOM 813 O VAL A 469 -13.951 -42.218 -36.416 1.00 25.00 O ATOM 814 CB VAL A 469 -13.462 -40.463 -38.991 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.236 -40.427 -40.501 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.916 -39.110 -38.504 1.00 25.00 C ATOM 0 H VAL A 469 -15.914 -40.581 -39.798 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.038 -42.526 -38.941 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.523 -40.699 -38.491 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.520 -39.642 -40.743 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -12.846 -41.389 -40.834 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.181 -40.225 -41.006 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.177 -38.358 -38.778 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.874 -38.861 -38.961 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.026 -39.132 -37.420 1.00 25.00 H new ATOM 826 N ALA A 470 -15.793 -41.002 -36.629 1.00 25.00 N ATOM 827 CA ALA A 470 -16.070 -41.002 -35.187 1.00 25.00 C ATOM 828 C ALA A 470 -16.215 -42.432 -34.671 1.00 25.00 C ATOM 829 O ALA A 470 -15.803 -42.736 -33.547 1.00 25.00 O ATOM 830 CB ALA A 470 -17.339 -40.193 -34.880 1.00 25.00 C ATOM 0 H ALA A 470 -16.477 -40.498 -37.194 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.229 -40.532 -34.677 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.527 -40.205 -33.806 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.204 -39.164 -35.213 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.188 -40.635 -35.402 1.00 25.00 H new ATOM 836 N ALA A 471 -16.781 -43.315 -35.483 1.00 25.00 N ATOM 837 CA ALA A 471 -16.915 -44.716 -35.099 1.00 25.00 C ATOM 838 C ALA A 471 -15.519 -45.341 -34.959 1.00 25.00 C ATOM 839 O ALA A 471 -15.276 -46.138 -34.063 1.00 25.00 O ATOM 840 CB ALA A 471 -17.749 -45.472 -36.139 1.00 25.00 C ATOM 0 H ALA A 471 -17.153 -43.089 -36.406 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.429 -44.784 -34.140 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.842 -46.516 -35.841 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.740 -45.024 -36.206 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.259 -45.414 -37.111 1.00 25.00 H new ATOM 846 N ALA A 472 -14.602 -44.962 -35.835 1.00 25.00 N ATOM 847 CA ALA A 472 -13.228 -45.447 -35.765 1.00 25.00 C ATOM 848 C ALA A 472 -12.477 -44.802 -34.589 1.00 25.00 C ATOM 849 O ALA A 472 -11.648 -45.436 -33.969 1.00 25.00 O ATOM 850 CB ALA A 472 -12.500 -45.162 -37.088 1.00 25.00 C ATOM 0 H ALA A 472 -14.783 -44.318 -36.606 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.251 -46.524 -35.600 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.475 -45.528 -37.025 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.017 -45.668 -37.904 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.491 -44.088 -37.274 1.00 25.00 H new ATOM 856 N GLN A 473 -12.759 -43.543 -34.285 1.00 25.00 N ATOM 857 CA GLN A 473 -12.072 -42.860 -33.194 1.00 25.00 C ATOM 858 C GLN A 473 -12.451 -43.407 -31.831 1.00 25.00 C ATOM 859 O GLN A 473 -11.587 -43.656 -30.995 1.00 25.00 O ATOM 860 CB GLN A 473 -12.380 -41.360 -33.189 1.00 25.00 C ATOM 861 CG GLN A 473 -11.963 -40.593 -34.435 1.00 25.00 C ATOM 862 CD GLN A 473 -10.474 -40.449 -34.603 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.698 -40.656 -33.685 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.071 -40.089 -35.789 1.00 25.00 N ATOM 0 H GLN A 473 -13.453 -42.976 -34.773 1.00 25.00 H new ATOM 0 HA GLN A 473 -11.011 -43.034 -33.371 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.453 -41.229 -33.047 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.887 -40.910 -32.327 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.369 -41.098 -35.311 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.411 -39.600 -34.403 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.752 -39.925 -36.531 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.075 -39.971 -35.975 1.00 25.00 H new ATOM 873 N ARG A 474 -13.742 -43.611 -31.602 1.00 25.00 N ATOM 874 CA ARG A 474 -14.197 -44.169 -30.323 1.00 25.00 C ATOM 875 C ARG A 474 -13.607 -45.563 -30.163 1.00 25.00 C ATOM 876 O ARG A 474 -13.385 -46.027 -29.056 1.00 25.00 O ATOM 877 CB ARG A 474 -15.735 -44.199 -30.225 1.00 25.00 C ATOM 878 CG ARG A 474 -16.433 -45.122 -31.220 1.00 25.00 C ATOM 879 CD ARG A 474 -17.957 -45.029 -31.134 1.00 25.00 C ATOM 880 NE ARG A 474 -18.479 -45.571 -29.862 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.100 -44.873 -28.915 1.00 25.00 C ATOM 882 NH1 ARG A 474 -19.326 -43.586 -29.018 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.507 -45.488 -27.839 1.00 25.00 N ATOM 0 H ARG A 474 -14.486 -43.405 -32.269 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.851 -43.528 -29.512 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -16.013 -44.503 -29.216 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -16.112 -43.186 -30.368 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.113 -44.870 -32.231 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.124 -46.151 -31.035 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.262 -43.987 -31.235 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.400 -45.573 -31.968 1.00 25.00 H new ATOM 0 HE ARG A 474 -18.352 -46.569 -29.695 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -19.022 -43.080 -29.850 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -19.806 -43.091 -28.267 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.347 -46.490 -27.733 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -19.985 -44.967 -27.104 1.00 25.00 H new ATOM 897 N LEU A 475 -13.348 -46.206 -31.289 1.00 25.00 N ATOM 898 CA LEU A 475 -12.749 -47.527 -31.314 1.00 25.00 C ATOM 899 C LEU A 475 -11.240 -47.470 -31.021 1.00 25.00 C ATOM 900 O LEU A 475 -10.761 -48.182 -30.142 1.00 25.00 O ATOM 901 CB LEU A 475 -13.030 -48.161 -32.688 1.00 25.00 C ATOM 902 CG LEU A 475 -11.989 -49.112 -33.288 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.878 -50.388 -32.450 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.374 -49.473 -34.715 1.00 25.00 C ATOM 0 H LEU A 475 -13.548 -45.824 -32.213 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.191 -48.141 -30.529 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.971 -48.706 -32.614 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.186 -47.351 -33.400 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.023 -48.606 -33.289 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.134 -51.050 -32.892 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.577 -50.131 -31.434 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.844 -50.892 -32.426 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.628 -50.149 -35.133 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.348 -49.962 -34.716 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.422 -48.567 -35.319 1.00 25.00 H new ATOM 916 N VAL A 476 -10.488 -46.652 -31.746 1.00 25.00 N ATOM 917 CA VAL A 476 -9.031 -46.633 -31.584 1.00 25.00 C ATOM 918 C VAL A 476 -8.669 -46.168 -30.180 1.00 25.00 C ATOM 919 O VAL A 476 -7.743 -46.688 -29.561 1.00 25.00 O ATOM 920 CB VAL A 476 -8.314 -45.791 -32.696 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.596 -44.303 -32.576 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.810 -46.045 -32.664 1.00 25.00 C ATOM 0 H VAL A 476 -10.850 -46.001 -32.442 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.664 -47.652 -31.710 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.720 -46.118 -33.653 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.075 -43.769 -33.370 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.668 -44.128 -32.663 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.247 -43.944 -31.608 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.325 -45.454 -33.441 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.413 -45.759 -31.690 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.616 -47.103 -32.838 1.00 25.00 H new ATOM 932 N HIS A 477 -9.418 -45.207 -29.665 1.00 25.00 N ATOM 933 CA HIS A 477 -9.195 -44.719 -28.327 1.00 25.00 C ATOM 934 C HIS A 477 -9.465 -45.828 -27.316 1.00 25.00 C ATOM 935 O HIS A 477 -8.782 -45.921 -26.313 1.00 25.00 O ATOM 936 CB HIS A 477 -10.086 -43.515 -28.037 1.00 25.00 C ATOM 937 CG HIS A 477 -9.678 -42.758 -26.811 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.539 -42.068 -25.996 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.448 -42.595 -26.247 1.00 25.00 C ATOM 940 CE1 HIS A 477 -9.831 -41.531 -25.003 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.549 -41.822 -25.107 1.00 25.00 N ATOM 0 H HIS A 477 -10.186 -44.753 -30.160 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.155 -44.405 -28.242 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.066 -42.842 -28.894 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.116 -43.853 -27.921 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.529 -43.010 -26.635 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.255 -40.932 -24.211 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -7.795 -41.538 -24.481 1.00 25.00 H new ATOM 949 N ALA A 478 -10.446 -46.685 -27.574 1.00 25.00 N ATOM 950 CA ALA A 478 -10.763 -47.748 -26.631 1.00 25.00 C ATOM 951 C ALA A 478 -9.549 -48.658 -26.446 1.00 25.00 C ATOM 952 O ALA A 478 -9.215 -49.032 -25.329 1.00 25.00 O ATOM 953 CB ALA A 478 -11.971 -48.556 -27.105 1.00 25.00 C ATOM 0 H ALA A 478 -11.026 -46.666 -28.413 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.017 -47.297 -25.672 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.188 -49.344 -26.384 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.836 -47.899 -27.195 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.752 -49.002 -28.075 1.00 25.00 H new ATOM 959 N ILE A 479 -8.882 -49.002 -27.539 1.00 25.00 N ATOM 960 CA ILE A 479 -7.703 -49.868 -27.462 1.00 25.00 C ATOM 961 C ILE A 479 -6.558 -49.112 -26.821 1.00 25.00 C ATOM 962 O ILE A 479 -5.798 -49.682 -26.062 1.00 25.00 O ATOM 963 CB ILE A 479 -7.232 -50.358 -28.844 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.371 -51.038 -29.600 1.00 25.00 C ATOM 965 CG2 ILE A 479 -6.062 -51.358 -28.713 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.486 -50.512 -30.975 1.00 25.00 C ATOM 0 H ILE A 479 -9.130 -48.701 -28.482 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.992 -50.736 -26.870 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.898 -49.480 -29.396 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -8.199 -52.114 -29.632 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.309 -50.881 -29.068 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.751 -51.686 -29.705 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.224 -50.874 -28.212 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.384 -52.221 -28.130 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.305 -51.014 -31.489 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.683 -49.440 -30.939 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.555 -50.692 -31.513 1.00 25.00 H new ATOM 978 N ALA A 480 -6.445 -47.823 -27.105 1.00 25.00 N ATOM 979 CA ALA A 480 -5.379 -47.013 -26.533 1.00 25.00 C ATOM 980 C ALA A 480 -5.470 -47.039 -24.999 1.00 25.00 C ATOM 981 O ALA A 480 -4.466 -46.889 -24.296 1.00 25.00 O ATOM 982 CB ALA A 480 -5.464 -45.572 -27.068 1.00 25.00 C ATOM 0 H ALA A 480 -7.076 -47.316 -27.726 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.414 -47.426 -26.827 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.662 -44.975 -26.634 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.363 -45.580 -28.153 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.427 -45.139 -26.796 1.00 25.00 H new ATOM 988 N LEU A 481 -6.671 -47.246 -24.479 1.00 25.00 N ATOM 989 CA LEU A 481 -6.856 -47.350 -23.031 1.00 25.00 C ATOM 990 C LEU A 481 -6.474 -48.732 -22.578 1.00 25.00 C ATOM 991 O LEU A 481 -5.853 -48.907 -21.550 1.00 25.00 O ATOM 992 CB LEU A 481 -8.295 -47.072 -22.639 1.00 25.00 C ATOM 993 CG LEU A 481 -8.699 -45.661 -23.052 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.208 -45.610 -23.201 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.212 -44.610 -22.067 1.00 25.00 C ATOM 0 H LEU A 481 -7.526 -47.345 -25.027 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.221 -46.606 -22.550 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.954 -47.799 -23.114 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.414 -47.190 -21.562 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.224 -45.428 -24.005 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.511 -44.605 -23.496 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.523 -46.323 -23.963 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.676 -45.865 -22.250 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.525 -43.622 -22.405 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.637 -44.808 -21.083 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.124 -44.645 -22.006 1.00 25.00 H new ATOM 1007 N MET A 482 -6.830 -49.739 -23.353 1.00 25.00 N ATOM 1008 CA MET A 482 -6.472 -51.109 -23.003 1.00 25.00 C ATOM 1009 C MET A 482 -4.971 -51.295 -22.977 1.00 25.00 C ATOM 1010 O MET A 482 -4.455 -52.119 -22.232 1.00 25.00 O ATOM 1011 CB MET A 482 -7.077 -52.102 -23.995 1.00 25.00 C ATOM 1012 CG MET A 482 -8.560 -51.986 -24.035 1.00 25.00 C ATOM 1013 SD MET A 482 -9.414 -53.465 -24.597 1.00 25.00 S ATOM 1014 CE MET A 482 -9.155 -53.344 -26.366 1.00 25.00 C ATOM 0 H MET A 482 -7.360 -49.642 -24.219 1.00 25.00 H new ATOM 0 HA MET A 482 -6.873 -51.299 -22.007 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.668 -51.922 -24.989 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.796 -53.117 -23.714 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.918 -51.733 -23.037 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.829 -51.157 -24.690 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.612 -54.202 -26.860 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.610 -52.426 -26.738 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.086 -53.331 -26.577 1.00 25.00 H new ATOM 1024 N THR A 483 -4.264 -50.518 -23.784 1.00 25.00 N ATOM 1025 CA THR A 483 -2.815 -50.679 -23.883 1.00 25.00 C ATOM 1026 C THR A 483 -2.082 -49.979 -22.752 1.00 25.00 C ATOM 1027 O THR A 483 -0.918 -50.263 -22.499 1.00 25.00 O ATOM 1028 CB THR A 483 -2.283 -50.197 -25.241 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.738 -48.870 -25.498 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.794 -51.095 -26.351 1.00 25.00 C ATOM 0 H THR A 483 -4.657 -49.782 -24.371 1.00 25.00 H new ATOM 0 HA THR A 483 -2.619 -51.748 -23.797 1.00 25.00 H new ATOM 0 HB THR A 483 -1.194 -50.224 -25.210 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.214 -48.529 -24.712 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.410 -50.744 -27.309 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.456 -52.117 -26.177 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.884 -51.071 -26.366 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.768 -49.088 -22.054 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.175 -48.418 -20.895 1.00 25.00 C ATOM 1040 C GLN A 484 -2.705 -49.015 -19.584 1.00 25.00 C ATOM 1041 O GLN A 484 -2.026 -48.971 -18.568 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.378 -46.890 -20.964 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.820 -46.424 -20.837 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.994 -44.952 -21.119 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.056 -44.138 -20.214 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.085 -44.607 -22.374 1.00 25.00 N ATOM 0 H GLN A 484 -3.727 -48.810 -22.262 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.099 -48.593 -20.917 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.791 -46.425 -20.172 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.978 -46.528 -21.911 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.442 -46.996 -21.526 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.178 -46.640 -19.830 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.028 -45.318 -23.104 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.213 -43.627 -22.625 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.908 -49.588 -19.602 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.476 -50.227 -18.423 1.00 25.00 C ATOM 1057 C PHE A 485 -4.036 -51.684 -18.304 1.00 25.00 C ATOM 1058 O PHE A 485 -4.254 -52.325 -17.281 1.00 25.00 O ATOM 1059 CB PHE A 485 -6.002 -50.182 -18.489 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.595 -48.957 -17.846 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.911 -48.965 -16.474 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.844 -47.792 -18.597 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.481 -47.825 -15.853 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.406 -46.643 -17.989 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.728 -46.660 -16.614 1.00 25.00 C ATOM 0 H PHE A 485 -4.508 -49.621 -20.426 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.116 -49.680 -17.552 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.314 -50.222 -19.533 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.405 -51.070 -18.002 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.717 -49.851 -15.887 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.603 -47.775 -19.650 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.726 -47.847 -14.801 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.588 -45.755 -18.576 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.161 -45.788 -16.147 1.00 25.00 H new