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 -169:sc= -0.0154 (180deg=-0.167) USER MOD Single : A 433 MET CE :methyl -161:sc= -0.029 (180deg=-0.494) USER MOD Single : A 434 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 436 GLN : amide:sc= 0.0548 X(o=0.055,f=-0.21) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.19) USER MOD Single : A 473 GLN : amide:sc=-4.31e-05 K(o=-4.3e-05,f=-0.87) USER MOD Single : A 477 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot -81:sc= 0.455 USER MOD Single : A 484 GLN : amide:sc= 0.214 X(o=0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -5.924 2.990 -7.840 1.00 25.00 N ATOM 114 CA GLU A 419 -6.954 2.810 -8.858 1.00 25.00 C ATOM 115 C GLU A 419 -6.642 1.577 -9.688 1.00 25.00 C ATOM 116 O GLU A 419 -7.522 0.847 -10.082 1.00 25.00 O ATOM 117 CB GLU A 419 -7.055 4.014 -9.803 1.00 25.00 C ATOM 118 CG GLU A 419 -6.681 5.375 -9.215 1.00 25.00 C ATOM 119 CD GLU A 419 -7.273 5.663 -7.844 1.00 25.00 C ATOM 120 OE1 GLU A 419 -6.462 5.807 -6.892 1.00 25.00 O ATOM 121 OE2 GLU A 419 -8.502 5.757 -7.706 1.00 25.00 O ATOM 0 HA GLU A 419 -7.904 2.702 -8.335 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -6.414 3.827 -10.664 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -8.078 4.072 -10.174 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -5.595 5.439 -9.147 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -7.004 6.154 -9.905 1.00 25.00 H new ATOM 128 N VAL A 420 -5.361 1.352 -9.937 1.00 25.00 N ATOM 129 CA VAL A 420 -4.913 0.195 -10.720 1.00 25.00 C ATOM 130 C VAL A 420 -5.208 -1.111 -9.972 1.00 25.00 C ATOM 131 O VAL A 420 -5.550 -2.123 -10.579 1.00 25.00 O ATOM 132 CB VAL A 420 -3.390 0.297 -11.046 1.00 25.00 C ATOM 133 CG1 VAL A 420 -2.920 -0.889 -11.904 1.00 25.00 C ATOM 134 CG2 VAL A 420 -3.100 1.602 -11.798 1.00 25.00 C ATOM 0 H VAL A 420 -4.606 1.954 -9.610 1.00 25.00 H new ATOM 0 HA VAL A 420 -5.466 0.192 -11.659 1.00 25.00 H new ATOM 0 HB VAL A 420 -2.848 0.281 -10.100 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -1.855 -0.787 -12.113 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -3.097 -1.820 -11.366 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -3.474 -0.901 -12.842 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -2.035 1.664 -12.021 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -3.667 1.619 -12.729 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -3.391 2.451 -11.179 1.00 25.00 H new ATOM 144 N SER A 421 -5.101 -1.091 -8.652 1.00 25.00 N ATOM 145 CA SER A 421 -5.412 -2.282 -7.864 1.00 25.00 C ATOM 146 C SER A 421 -6.899 -2.616 -7.971 1.00 25.00 C ATOM 147 O SER A 421 -7.276 -3.783 -8.055 1.00 25.00 O ATOM 148 CB SER A 421 -5.048 -2.058 -6.400 1.00 25.00 C ATOM 149 OG SER A 421 -3.666 -1.763 -6.269 1.00 25.00 O ATOM 0 H SER A 421 -4.807 -0.280 -8.108 1.00 25.00 H new ATOM 0 HA SER A 421 -4.828 -3.114 -8.257 1.00 25.00 H new ATOM 0 HB2 SER A 421 -5.641 -1.238 -5.994 1.00 25.00 H new ATOM 0 HB3 SER A 421 -5.292 -2.947 -5.819 1.00 25.00 H new ATOM 0 HG SER A 421 -3.450 -1.620 -5.324 1.00 25.00 H new ATOM 155 N ASP A 422 -7.737 -1.590 -7.978 1.00 25.00 N ATOM 156 CA ASP A 422 -9.185 -1.785 -8.090 1.00 25.00 C ATOM 157 C ASP A 422 -9.552 -2.133 -9.527 1.00 25.00 C ATOM 158 O ASP A 422 -10.499 -2.862 -9.784 1.00 25.00 O ATOM 159 CB ASP A 422 -9.921 -0.521 -7.648 1.00 25.00 C ATOM 160 CG ASP A 422 -11.381 -0.784 -7.320 1.00 25.00 C ATOM 161 OD1 ASP A 422 -11.668 -1.816 -6.672 1.00 25.00 O ATOM 162 OD2 ASP A 422 -12.238 0.043 -7.695 1.00 25.00 O ATOM 0 H ASP A 422 -7.446 -0.615 -7.908 1.00 25.00 H new ATOM 0 HA ASP A 422 -9.484 -2.608 -7.441 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -9.425 -0.103 -6.772 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -9.858 0.227 -8.438 1.00 25.00 H new ATOM 167 N MET A 423 -8.768 -1.624 -10.466 1.00 25.00 N ATOM 168 CA MET A 423 -8.961 -1.906 -11.887 1.00 25.00 C ATOM 169 C MET A 423 -8.826 -3.406 -12.120 1.00 25.00 C ATOM 170 O MET A 423 -9.583 -3.993 -12.872 1.00 25.00 O ATOM 171 CB MET A 423 -7.923 -1.149 -12.720 1.00 25.00 C ATOM 172 CG MET A 423 -8.177 -1.143 -14.216 1.00 25.00 C ATOM 173 SD MET A 423 -6.773 -0.394 -15.108 1.00 25.00 S ATOM 174 CE MET A 423 -6.807 1.336 -14.534 1.00 25.00 C ATOM 0 H MET A 423 -7.981 -1.005 -10.269 1.00 25.00 H new ATOM 0 HA MET A 423 -9.955 -1.578 -12.192 1.00 25.00 H new ATOM 0 HB2 MET A 423 -7.882 -0.117 -12.370 1.00 25.00 H new ATOM 0 HB3 MET A 423 -6.942 -1.588 -12.536 1.00 25.00 H new ATOM 0 HG2 MET A 423 -8.334 -2.163 -14.567 1.00 25.00 H new ATOM 0 HG3 MET A 423 -9.089 -0.587 -14.432 1.00 25.00 H new ATOM 0 HE1 MET A 423 -6.133 1.936 -15.146 1.00 25.00 H new ATOM 0 HE2 MET A 423 -7.820 1.728 -14.620 1.00 25.00 H new ATOM 0 HE3 MET A 423 -6.488 1.380 -13.493 1.00 25.00 H new ATOM 184 N ALA A 424 -7.863 -4.027 -11.455 1.00 25.00 N ATOM 185 CA ALA A 424 -7.661 -5.465 -11.582 1.00 25.00 C ATOM 186 C ALA A 424 -8.845 -6.239 -10.981 1.00 25.00 C ATOM 187 O ALA A 424 -9.210 -7.312 -11.463 1.00 25.00 O ATOM 188 CB ALA A 424 -6.353 -5.865 -10.889 1.00 25.00 C ATOM 0 H ALA A 424 -7.211 -3.561 -10.824 1.00 25.00 H new ATOM 0 HA ALA A 424 -7.597 -5.718 -12.640 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -6.204 -6.941 -10.985 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -5.519 -5.340 -11.355 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -6.405 -5.599 -9.833 1.00 25.00 H new ATOM 194 N ALA A 425 -9.431 -5.696 -9.924 1.00 25.00 N ATOM 195 CA ALA A 425 -10.552 -6.347 -9.254 1.00 25.00 C ATOM 196 C ALA A 425 -11.821 -6.279 -10.111 1.00 25.00 C ATOM 197 O ALA A 425 -12.524 -7.275 -10.276 1.00 25.00 O ATOM 198 CB ALA A 425 -10.798 -5.689 -7.889 1.00 25.00 C ATOM 0 H ALA A 425 -9.151 -4.807 -9.510 1.00 25.00 H new ATOM 0 HA ALA A 425 -10.301 -7.397 -9.106 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -11.636 -6.180 -7.394 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -9.905 -5.786 -7.272 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -11.028 -4.633 -8.030 1.00 25.00 H new ATOM 204 N VAL A 426 -12.118 -5.103 -10.645 1.00 25.00 N ATOM 205 CA VAL A 426 -13.317 -4.923 -11.460 1.00 25.00 C ATOM 206 C VAL A 426 -13.180 -5.674 -12.778 1.00 25.00 C ATOM 207 O VAL A 426 -14.147 -6.214 -13.284 1.00 25.00 O ATOM 208 CB VAL A 426 -13.637 -3.415 -11.668 1.00 25.00 C ATOM 209 CG1 VAL A 426 -12.608 -2.708 -12.531 1.00 25.00 C ATOM 210 CG2 VAL A 426 -15.029 -3.239 -12.249 1.00 25.00 C ATOM 0 H VAL A 426 -11.551 -4.263 -10.531 1.00 25.00 H new ATOM 0 HA VAL A 426 -14.167 -5.349 -10.928 1.00 25.00 H new ATOM 0 HB VAL A 426 -13.597 -2.948 -10.684 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -12.884 -1.659 -12.641 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -11.628 -2.778 -12.059 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -12.572 -3.179 -13.514 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -15.234 -2.177 -12.387 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -15.089 -3.748 -13.211 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -15.765 -3.665 -11.567 1.00 25.00 H new ATOM 220 N GLU A 427 -11.972 -5.741 -13.310 1.00 25.00 N ATOM 221 CA GLU A 427 -11.711 -6.521 -14.529 1.00 25.00 C ATOM 222 C GLU A 427 -12.125 -7.973 -14.301 1.00 25.00 C ATOM 223 O GLU A 427 -12.773 -8.583 -15.144 1.00 25.00 O ATOM 224 CB GLU A 427 -10.223 -6.488 -14.897 1.00 25.00 C ATOM 225 CG GLU A 427 -9.825 -5.350 -15.834 1.00 25.00 C ATOM 226 CD GLU A 427 -10.093 -5.678 -17.299 1.00 25.00 C ATOM 227 OE1 GLU A 427 -10.851 -4.930 -17.951 1.00 25.00 O ATOM 228 OE2 GLU A 427 -9.532 -6.680 -17.803 1.00 25.00 O ATOM 0 H GLU A 427 -11.153 -5.270 -12.926 1.00 25.00 H new ATOM 0 HA GLU A 427 -12.287 -6.081 -15.343 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -9.637 -6.409 -13.981 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -9.957 -7.436 -15.364 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -10.375 -4.449 -15.560 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -8.766 -5.129 -15.702 1.00 25.00 H new ATOM 235 N ALA A 428 -11.764 -8.526 -13.152 1.00 25.00 N ATOM 236 CA ALA A 428 -12.123 -9.905 -12.837 1.00 25.00 C ATOM 237 C ALA A 428 -13.647 -10.055 -12.720 1.00 25.00 C ATOM 238 O ALA A 428 -14.216 -11.062 -13.154 1.00 25.00 O ATOM 239 CB ALA A 428 -11.436 -10.343 -11.538 1.00 25.00 C ATOM 0 H ALA A 428 -11.228 -8.048 -12.427 1.00 25.00 H new ATOM 0 HA ALA A 428 -11.781 -10.549 -13.648 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -11.710 -11.373 -11.311 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -10.355 -10.273 -11.657 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -11.754 -9.695 -10.722 1.00 25.00 H new ATOM 245 N ALA A 429 -14.298 -9.051 -12.145 1.00 25.00 N ATOM 246 CA ALA A 429 -15.749 -9.068 -11.986 1.00 25.00 C ATOM 247 C ALA A 429 -16.438 -9.018 -13.357 1.00 25.00 C ATOM 248 O ALA A 429 -17.392 -9.745 -13.604 1.00 25.00 O ATOM 249 CB ALA A 429 -16.199 -7.889 -11.113 1.00 25.00 C ATOM 0 H ALA A 429 -13.844 -8.213 -11.780 1.00 25.00 H new ATOM 0 HA ALA A 429 -16.037 -9.996 -11.492 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -17.283 -7.912 -11.001 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -15.731 -7.964 -10.131 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -15.903 -6.952 -11.585 1.00 25.00 H new ATOM 255 N GLU A 430 -15.947 -8.171 -14.247 1.00 25.00 N ATOM 256 CA GLU A 430 -16.510 -8.058 -15.594 1.00 25.00 C ATOM 257 C GLU A 430 -16.341 -9.374 -16.315 1.00 25.00 C ATOM 258 O GLU A 430 -17.264 -9.885 -16.937 1.00 25.00 O ATOM 259 CB GLU A 430 -15.779 -6.984 -16.391 1.00 25.00 C ATOM 260 CG GLU A 430 -16.061 -5.584 -15.938 1.00 25.00 C ATOM 261 CD GLU A 430 -17.397 -5.060 -16.457 1.00 25.00 C ATOM 262 OE1 GLU A 430 -17.508 -4.780 -17.671 1.00 25.00 O ATOM 263 OE2 GLU A 430 -18.343 -4.939 -15.647 1.00 25.00 O ATOM 0 H GLU A 430 -15.159 -7.549 -14.066 1.00 25.00 H new ATOM 0 HA GLU A 430 -17.564 -7.794 -15.507 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -14.706 -7.166 -16.326 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -16.054 -7.076 -17.442 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -16.060 -5.551 -14.849 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -15.260 -4.927 -16.278 1.00 25.00 H new ATOM 270 N LEU A 431 -15.149 -9.933 -16.220 1.00 25.00 N ATOM 271 CA LEU A 431 -14.852 -11.215 -16.860 1.00 25.00 C ATOM 272 C LEU A 431 -15.772 -12.345 -16.387 1.00 25.00 C ATOM 273 O LEU A 431 -16.216 -13.159 -17.209 1.00 25.00 O ATOM 274 CB LEU A 431 -13.391 -11.605 -16.622 1.00 25.00 C ATOM 275 CG LEU A 431 -12.363 -10.833 -17.469 1.00 25.00 C ATOM 276 CD1 LEU A 431 -10.962 -11.071 -16.913 1.00 25.00 C ATOM 277 CD2 LEU A 431 -12.415 -11.263 -18.943 1.00 25.00 C ATOM 0 H LEU A 431 -14.367 -9.525 -15.708 1.00 25.00 H new ATOM 0 HA LEU A 431 -15.031 -11.077 -17.926 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -13.158 -11.453 -15.568 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -13.278 -12.670 -16.823 1.00 25.00 H new ATOM 0 HG LEU A 431 -12.608 -9.772 -17.418 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -10.235 -10.524 -17.513 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -10.916 -10.723 -15.881 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -10.733 -12.136 -16.947 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -11.677 -10.699 -19.513 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -12.196 -12.328 -19.019 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -13.410 -11.068 -19.344 1.00 25.00 H new ATOM 289 N GLU A 432 -16.066 -12.432 -15.096 1.00 25.00 N ATOM 290 CA GLU A 432 -17.009 -13.457 -14.629 1.00 25.00 C ATOM 291 C GLU A 432 -18.466 -13.100 -14.977 1.00 25.00 C ATOM 292 O GLU A 432 -19.278 -13.991 -15.255 1.00 25.00 O ATOM 293 CB GLU A 432 -16.836 -13.796 -13.140 1.00 25.00 C ATOM 294 CG GLU A 432 -17.342 -12.766 -12.143 1.00 25.00 C ATOM 295 CD GLU A 432 -17.188 -13.243 -10.700 1.00 25.00 C ATOM 296 OE1 GLU A 432 -16.719 -14.388 -10.492 1.00 25.00 O ATOM 297 OE2 GLU A 432 -17.541 -12.481 -9.778 1.00 25.00 O ATOM 0 H GLU A 432 -15.683 -11.829 -14.368 1.00 25.00 H new ATOM 0 HA GLU A 432 -16.763 -14.368 -15.175 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -17.346 -14.739 -12.944 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -15.776 -13.962 -12.950 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -16.795 -11.833 -12.277 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -18.392 -12.552 -12.344 1.00 25.00 H new ATOM 304 N MET A 433 -18.805 -11.816 -14.991 1.00 25.00 N ATOM 305 CA MET A 433 -20.161 -11.396 -15.361 1.00 25.00 C ATOM 306 C MET A 433 -20.411 -11.668 -16.830 1.00 25.00 C ATOM 307 O MET A 433 -21.518 -12.023 -17.209 1.00 25.00 O ATOM 308 CB MET A 433 -20.396 -9.911 -15.076 1.00 25.00 C ATOM 309 CG MET A 433 -20.768 -9.642 -13.629 1.00 25.00 C ATOM 310 SD MET A 433 -21.271 -7.930 -13.329 1.00 25.00 S ATOM 311 CE MET A 433 -19.702 -7.045 -13.487 1.00 25.00 C ATOM 0 H MET A 433 -18.172 -11.052 -14.754 1.00 25.00 H new ATOM 0 HA MET A 433 -20.855 -11.974 -14.752 1.00 25.00 H new ATOM 0 HB2 MET A 433 -19.495 -9.351 -15.325 1.00 25.00 H new ATOM 0 HB3 MET A 433 -21.190 -9.542 -15.725 1.00 25.00 H new ATOM 0 HG2 MET A 433 -21.580 -10.309 -13.339 1.00 25.00 H new ATOM 0 HG3 MET A 433 -19.917 -9.881 -12.991 1.00 25.00 H new ATOM 0 HE1 MET A 433 -19.785 -6.069 -13.009 1.00 25.00 H new ATOM 0 HE2 MET A 433 -18.910 -7.619 -13.005 1.00 25.00 H new ATOM 0 HE3 MET A 433 -19.463 -6.913 -14.542 1.00 25.00 H new ATOM 321 N THR A 434 -19.378 -11.530 -17.651 1.00 25.00 N ATOM 322 CA THR A 434 -19.464 -11.795 -19.093 1.00 25.00 C ATOM 323 C THR A 434 -20.000 -13.203 -19.343 1.00 25.00 C ATOM 324 O THR A 434 -20.704 -13.455 -20.309 1.00 25.00 O ATOM 325 CB THR A 434 -18.069 -11.648 -19.772 1.00 25.00 C ATOM 326 OG1 THR A 434 -17.577 -10.321 -19.575 1.00 25.00 O ATOM 327 CG2 THR A 434 -18.140 -11.876 -21.276 1.00 25.00 C ATOM 0 H THR A 434 -18.453 -11.231 -17.342 1.00 25.00 H new ATOM 0 HA THR A 434 -20.146 -11.063 -19.526 1.00 25.00 H new ATOM 0 HB THR A 434 -17.417 -12.395 -19.320 1.00 25.00 H new ATOM 0 HG1 THR A 434 -17.282 -10.216 -18.646 1.00 25.00 H new ATOM 0 HG21 THR A 434 -17.146 -11.764 -21.708 1.00 25.00 H new ATOM 0 HG22 THR A 434 -18.511 -12.882 -21.474 1.00 25.00 H new ATOM 0 HG23 THR A 434 -18.815 -11.146 -21.723 1.00 25.00 H new ATOM 335 N ARG A 435 -19.681 -14.128 -18.455 1.00 25.00 N ATOM 336 CA ARG A 435 -20.121 -15.519 -18.612 1.00 25.00 C ATOM 337 C ARG A 435 -21.634 -15.601 -18.480 1.00 25.00 C ATOM 338 O ARG A 435 -22.293 -16.287 -19.246 1.00 25.00 O ATOM 339 CB ARG A 435 -19.472 -16.433 -17.560 1.00 25.00 C ATOM 340 CG ARG A 435 -17.977 -16.201 -17.336 1.00 25.00 C ATOM 341 CD ARG A 435 -17.125 -16.493 -18.556 1.00 25.00 C ATOM 342 NE ARG A 435 -15.775 -15.939 -18.358 1.00 25.00 N ATOM 343 CZ ARG A 435 -14.654 -16.433 -18.866 1.00 25.00 C ATOM 344 NH1 ARG A 435 -14.637 -17.499 -19.632 1.00 25.00 N ATOM 345 NH2 ARG A 435 -13.526 -15.839 -18.597 1.00 25.00 N ATOM 0 H ARG A 435 -19.123 -13.951 -17.620 1.00 25.00 H new ATOM 0 HA ARG A 435 -19.814 -15.857 -19.602 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -19.992 -16.296 -16.612 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -19.623 -17.470 -17.859 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -17.820 -15.165 -17.034 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -17.641 -16.828 -16.510 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -17.067 -17.569 -18.723 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -17.582 -16.057 -19.444 1.00 25.00 H new ATOM 0 HE ARG A 435 -15.695 -15.103 -17.780 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -15.508 -17.980 -19.857 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -13.753 -17.847 -20.003 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -13.515 -15.009 -18.005 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -12.654 -16.204 -18.979 1.00 25.00 H new ATOM 359 N GLN A 436 -22.177 -14.885 -17.508 1.00 25.00 N ATOM 360 CA GLN A 436 -23.619 -14.892 -17.270 1.00 25.00 C ATOM 361 C GLN A 436 -24.300 -14.113 -18.388 1.00 25.00 C ATOM 362 O GLN A 436 -25.364 -14.477 -18.863 1.00 25.00 O ATOM 363 CB GLN A 436 -23.964 -14.247 -15.915 1.00 25.00 C ATOM 364 CG GLN A 436 -22.908 -14.419 -14.805 1.00 25.00 C ATOM 365 CD GLN A 436 -22.544 -15.866 -14.524 1.00 25.00 C ATOM 366 OE1 GLN A 436 -23.365 -16.766 -14.625 1.00 25.00 O ATOM 367 NE2 GLN A 436 -21.304 -16.091 -14.174 1.00 25.00 N ATOM 0 H GLN A 436 -21.646 -14.292 -16.870 1.00 25.00 H new ATOM 0 HA GLN A 436 -23.967 -15.925 -17.251 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -24.129 -13.181 -16.072 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -24.906 -14.667 -15.563 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -22.006 -13.876 -15.087 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -23.281 -13.963 -13.888 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -20.646 -15.315 -14.100 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -20.995 -17.042 -13.975 1.00 25.00 H new ATOM 376 N VAL A 437 -23.647 -13.038 -18.799 1.00 25.00 N ATOM 377 CA VAL A 437 -24.114 -12.167 -19.872 1.00 25.00 C ATOM 378 C VAL A 437 -24.267 -12.940 -21.184 1.00 25.00 C ATOM 379 O VAL A 437 -25.245 -12.759 -21.901 1.00 25.00 O ATOM 380 CB VAL A 437 -23.114 -10.977 -20.005 1.00 25.00 C ATOM 381 CG1 VAL A 437 -23.096 -10.373 -21.392 1.00 25.00 C ATOM 382 CG2 VAL A 437 -23.421 -9.905 -18.940 1.00 25.00 C ATOM 0 H VAL A 437 -22.762 -12.739 -18.391 1.00 25.00 H new ATOM 0 HA VAL A 437 -25.104 -11.777 -19.634 1.00 25.00 H new ATOM 0 HB VAL A 437 -22.114 -11.377 -19.835 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -22.382 -9.550 -21.421 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -22.804 -11.133 -22.116 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -24.090 -9.999 -21.639 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -22.717 -9.079 -19.042 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -24.437 -9.535 -19.078 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -23.326 -10.342 -17.946 1.00 25.00 H new ATOM 392 N LEU A 438 -23.321 -13.813 -21.489 1.00 25.00 N ATOM 393 CA LEU A 438 -23.394 -14.624 -22.705 1.00 25.00 C ATOM 394 C LEU A 438 -24.586 -15.574 -22.655 1.00 25.00 C ATOM 395 O LEU A 438 -25.244 -15.812 -23.663 1.00 25.00 O ATOM 396 CB LEU A 438 -22.104 -15.433 -22.882 1.00 25.00 C ATOM 397 CG LEU A 438 -20.881 -14.635 -23.364 1.00 25.00 C ATOM 398 CD1 LEU A 438 -19.621 -15.481 -23.192 1.00 25.00 C ATOM 399 CD2 LEU A 438 -21.031 -14.208 -24.824 1.00 25.00 C ATOM 0 H LEU A 438 -22.494 -13.982 -20.917 1.00 25.00 H new ATOM 0 HA LEU A 438 -23.518 -13.949 -23.552 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -21.857 -15.902 -21.930 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -22.295 -16.236 -23.593 1.00 25.00 H new ATOM 0 HG LEU A 438 -20.803 -13.730 -22.761 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -18.754 -14.916 -23.534 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -19.496 -15.737 -22.140 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -19.713 -16.394 -23.780 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -20.149 -13.646 -25.131 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -21.135 -15.092 -25.453 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -21.916 -13.581 -24.930 1.00 25.00 H new ATOM 720 N ALA A 462 -17.509 -32.969 -45.764 1.00 25.00 N ATOM 721 CA ALA A 462 -16.399 -33.325 -44.892 1.00 25.00 C ATOM 722 C ALA A 462 -16.919 -33.713 -43.501 1.00 25.00 C ATOM 723 O ALA A 462 -16.391 -34.630 -42.881 1.00 25.00 O ATOM 724 CB ALA A 462 -15.412 -32.163 -44.791 1.00 25.00 C ATOM 0 HA ALA A 462 -15.879 -34.183 -45.318 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -14.587 -32.442 -44.136 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.025 -31.927 -45.782 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -15.919 -31.289 -44.383 1.00 25.00 H new ATOM 730 N LEU A 463 -17.955 -33.036 -43.010 1.00 25.00 N ATOM 731 CA LEU A 463 -18.510 -33.371 -41.703 1.00 25.00 C ATOM 732 C LEU A 463 -19.168 -34.744 -41.767 1.00 25.00 C ATOM 733 O LEU A 463 -19.114 -35.490 -40.808 1.00 25.00 O ATOM 734 CB LEU A 463 -19.468 -32.273 -41.211 1.00 25.00 C ATOM 735 CG LEU A 463 -20.996 -32.443 -41.318 1.00 25.00 C ATOM 736 CD1 LEU A 463 -21.594 -33.304 -40.204 1.00 25.00 C ATOM 737 CD2 LEU A 463 -21.628 -31.079 -41.261 1.00 25.00 C ATOM 0 H LEU A 463 -18.420 -32.265 -43.489 1.00 25.00 H new ATOM 0 HA LEU A 463 -17.707 -33.422 -40.967 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -19.240 -32.098 -40.160 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -19.210 -31.361 -41.749 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.199 -32.954 -42.259 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -22.672 -33.381 -40.343 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.152 -34.300 -40.237 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -21.384 -32.846 -39.238 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -22.711 -31.176 -41.335 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -21.371 -30.598 -40.317 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -21.261 -30.473 -42.089 1.00 25.00 H new ATOM 749 N GLN A 464 -19.760 -35.104 -42.898 1.00 25.00 N ATOM 750 CA GLN A 464 -20.306 -36.457 -43.045 1.00 25.00 C ATOM 751 C GLN A 464 -19.193 -37.490 -42.866 1.00 25.00 C ATOM 752 O GLN A 464 -19.407 -38.566 -42.307 1.00 25.00 O ATOM 753 CB GLN A 464 -20.979 -36.645 -44.405 1.00 25.00 C ATOM 754 CG GLN A 464 -22.259 -35.841 -44.574 1.00 25.00 C ATOM 755 CD GLN A 464 -22.954 -36.159 -45.874 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.887 -35.409 -46.840 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.617 -37.278 -45.910 1.00 25.00 N ATOM 0 H GLN A 464 -19.876 -34.499 -43.711 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.063 -36.599 -42.274 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.277 -36.362 -45.189 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.204 -37.702 -44.545 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -22.932 -36.050 -43.742 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.027 -34.777 -44.537 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -23.651 -37.878 -45.086 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.103 -37.556 -46.763 1.00 25.00 H new ATOM 766 N GLY A 465 -17.999 -37.144 -43.317 1.00 25.00 N ATOM 767 CA GLY A 465 -16.847 -38.001 -43.131 1.00 25.00 C ATOM 768 C GLY A 465 -16.503 -38.038 -41.659 1.00 25.00 C ATOM 769 O GLY A 465 -16.266 -39.100 -41.112 1.00 25.00 O ATOM 0 H GLY A 465 -17.805 -36.275 -43.814 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.061 -39.006 -43.494 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.001 -37.627 -43.708 1.00 25.00 H new ATOM 773 N ALA A 466 -16.502 -36.877 -41.013 1.00 25.00 N ATOM 774 CA ALA A 466 -16.200 -36.765 -39.582 1.00 25.00 C ATOM 775 C ALA A 466 -17.093 -37.690 -38.742 1.00 25.00 C ATOM 776 O ALA A 466 -16.638 -38.302 -37.786 1.00 25.00 O ATOM 777 CB ALA A 466 -16.364 -35.314 -39.122 1.00 25.00 C ATOM 0 H ALA A 466 -16.710 -35.985 -41.462 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.166 -37.076 -39.434 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.138 -35.242 -38.058 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -15.681 -34.675 -39.683 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.390 -34.991 -39.297 1.00 25.00 H new ATOM 783 N GLN A 467 -18.357 -37.797 -39.109 1.00 25.00 N ATOM 784 CA GLN A 467 -19.282 -38.676 -38.399 1.00 25.00 C ATOM 785 C GLN A 467 -18.924 -40.150 -38.603 1.00 25.00 C ATOM 786 O GLN A 467 -18.974 -40.948 -37.672 1.00 25.00 O ATOM 787 CB GLN A 467 -20.692 -38.456 -38.925 1.00 25.00 C ATOM 788 CG GLN A 467 -21.236 -37.038 -38.727 1.00 25.00 C ATOM 789 CD GLN A 467 -21.314 -36.614 -37.278 1.00 25.00 C ATOM 790 OE1 GLN A 467 -21.659 -37.390 -36.405 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.002 -35.370 -37.023 1.00 25.00 N ATOM 0 H GLN A 467 -18.770 -37.290 -39.892 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.216 -38.438 -37.337 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.709 -38.691 -39.989 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.363 -39.160 -38.432 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.601 -36.336 -39.268 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.230 -36.975 -39.169 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -20.717 -34.750 -37.781 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -21.043 -35.020 -36.066 1.00 25.00 H new ATOM 800 N ALA A 468 -18.574 -40.514 -39.829 1.00 25.00 N ATOM 801 CA ALA A 468 -18.242 -41.902 -40.141 1.00 25.00 C ATOM 802 C ALA A 468 -16.945 -42.317 -39.437 1.00 25.00 C ATOM 803 O ALA A 468 -16.854 -43.399 -38.854 1.00 25.00 O ATOM 804 CB ALA A 468 -18.109 -42.077 -41.661 1.00 25.00 C ATOM 0 H ALA A 468 -18.512 -39.874 -40.621 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.045 -42.545 -39.780 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.861 -43.114 -41.888 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.052 -41.816 -42.141 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.319 -41.425 -42.035 1.00 25.00 H new ATOM 810 N VAL A 469 -15.946 -41.448 -39.482 1.00 25.00 N ATOM 811 CA VAL A 469 -14.658 -41.741 -38.856 1.00 25.00 C ATOM 812 C VAL A 469 -14.791 -41.746 -37.345 1.00 25.00 C ATOM 813 O VAL A 469 -14.019 -42.397 -36.674 1.00 25.00 O ATOM 814 CB VAL A 469 -13.521 -40.771 -39.293 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.387 -40.775 -40.812 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.774 -39.362 -38.808 1.00 25.00 C ATOM 0 H VAL A 469 -15.998 -40.539 -39.942 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.369 -42.733 -39.203 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.593 -41.122 -38.841 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.589 -40.094 -41.109 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.150 -41.782 -41.154 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.326 -40.452 -41.261 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -12.960 -38.714 -39.132 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.714 -38.998 -39.222 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.831 -39.357 -37.719 1.00 25.00 H new ATOM 826 N ALA A 470 -15.757 -41.014 -36.803 1.00 25.00 N ATOM 827 CA ALA A 470 -15.954 -40.962 -35.350 1.00 25.00 C ATOM 828 C ALA A 470 -16.154 -42.367 -34.768 1.00 25.00 C ATOM 829 O ALA A 470 -15.733 -42.638 -33.642 1.00 25.00 O ATOM 830 CB ALA A 470 -17.143 -40.062 -34.995 1.00 25.00 C ATOM 0 H ALA A 470 -16.415 -40.449 -37.340 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.053 -40.537 -34.907 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.271 -40.038 -33.913 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.957 -39.052 -35.361 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.048 -40.455 -35.459 1.00 25.00 H new ATOM 836 N ALA A 471 -16.771 -43.261 -35.530 1.00 25.00 N ATOM 837 CA ALA A 471 -16.954 -44.640 -35.082 1.00 25.00 C ATOM 838 C ALA A 471 -15.586 -45.328 -34.934 1.00 25.00 C ATOM 839 O ALA A 471 -15.369 -46.102 -34.006 1.00 25.00 O ATOM 840 CB ALA A 471 -17.838 -45.403 -36.075 1.00 25.00 C ATOM 0 H ALA A 471 -17.152 -43.061 -36.455 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.449 -44.638 -34.111 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.968 -46.429 -35.732 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.811 -44.917 -36.144 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.364 -45.406 -37.057 1.00 25.00 H new ATOM 846 N ALA A 472 -14.668 -45.030 -35.841 1.00 25.00 N ATOM 847 CA ALA A 472 -13.310 -45.560 -35.769 1.00 25.00 C ATOM 848 C ALA A 472 -12.527 -44.880 -34.639 1.00 25.00 C ATOM 849 O ALA A 472 -11.696 -45.501 -34.000 1.00 25.00 O ATOM 850 CB ALA A 472 -12.592 -45.371 -37.114 1.00 25.00 C ATOM 0 H ALA A 472 -14.838 -44.420 -36.641 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.364 -46.627 -35.553 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.580 -45.771 -37.046 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.139 -45.899 -37.896 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.547 -44.309 -37.356 1.00 25.00 H new ATOM 856 N GLN A 473 -12.790 -43.605 -34.396 1.00 25.00 N ATOM 857 CA GLN A 473 -12.085 -42.868 -33.350 1.00 25.00 C ATOM 858 C GLN A 473 -12.443 -43.368 -31.959 1.00 25.00 C ATOM 859 O GLN A 473 -11.573 -43.598 -31.125 1.00 25.00 O ATOM 860 CB GLN A 473 -12.403 -41.371 -33.420 1.00 25.00 C ATOM 861 CG GLN A 473 -11.975 -40.684 -34.711 1.00 25.00 C ATOM 862 CD GLN A 473 -10.476 -40.502 -34.835 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.734 -40.637 -33.878 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.028 -40.203 -36.025 1.00 25.00 N ATOM 0 H GLN A 473 -13.484 -43.058 -34.905 1.00 25.00 H new ATOM 0 HA GLN A 473 -11.022 -43.033 -33.526 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.477 -41.236 -33.293 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.917 -40.872 -32.582 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.333 -41.268 -35.559 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.457 -39.708 -34.770 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.679 -40.098 -36.803 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.027 -40.075 -36.176 1.00 25.00 H new ATOM 873 N ARG A 474 -13.729 -43.552 -31.700 1.00 25.00 N ATOM 874 CA ARG A 474 -14.158 -44.073 -30.393 1.00 25.00 C ATOM 875 C ARG A 474 -13.603 -45.483 -30.207 1.00 25.00 C ATOM 876 O ARG A 474 -13.371 -45.930 -29.090 1.00 25.00 O ATOM 877 CB ARG A 474 -15.689 -44.049 -30.245 1.00 25.00 C ATOM 878 CG ARG A 474 -16.447 -44.937 -31.217 1.00 25.00 C ATOM 879 CD ARG A 474 -17.958 -44.791 -31.068 1.00 25.00 C ATOM 880 NE ARG A 474 -18.440 -45.263 -29.756 1.00 25.00 N ATOM 881 CZ ARG A 474 -18.732 -46.525 -29.449 1.00 25.00 C ATOM 882 NH1 ARG A 474 -18.604 -47.507 -30.309 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.161 -46.803 -28.249 1.00 25.00 N ATOM 0 H ARG A 474 -14.486 -43.356 -32.355 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.761 -43.427 -29.610 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.944 -44.349 -29.229 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -16.034 -43.023 -30.371 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.158 -44.686 -32.238 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.166 -45.977 -31.052 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.234 -43.745 -31.199 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.455 -45.353 -31.859 1.00 25.00 H new ATOM 0 HE ARG A 474 -18.560 -44.564 -29.023 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -18.270 -47.317 -31.254 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -18.839 -48.460 -30.033 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.269 -46.058 -27.561 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -19.389 -47.765 -27.999 1.00 25.00 H new ATOM 897 N LEU A 475 -13.380 -46.166 -31.317 1.00 25.00 N ATOM 898 CA LEU A 475 -12.800 -47.500 -31.309 1.00 25.00 C ATOM 899 C LEU A 475 -11.296 -47.446 -31.002 1.00 25.00 C ATOM 900 O LEU A 475 -10.835 -48.156 -30.119 1.00 25.00 O ATOM 901 CB LEU A 475 -13.068 -48.175 -32.667 1.00 25.00 C ATOM 902 CG LEU A 475 -11.991 -49.094 -33.264 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.836 -50.380 -32.437 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.346 -49.454 -34.695 1.00 25.00 C ATOM 0 H LEU A 475 -13.595 -45.812 -32.249 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.267 -48.090 -30.520 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.983 -48.759 -32.570 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.268 -47.387 -33.393 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.044 -48.554 -33.246 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.067 -51.010 -32.884 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.548 -50.124 -31.417 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.783 -50.919 -32.422 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.576 -50.105 -35.108 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.306 -49.970 -34.713 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.412 -48.545 -35.293 1.00 25.00 H new ATOM 916 N VAL A 476 -10.526 -46.631 -31.715 1.00 25.00 N ATOM 917 CA VAL A 476 -9.069 -46.611 -31.523 1.00 25.00 C ATOM 918 C VAL A 476 -8.742 -46.162 -30.108 1.00 25.00 C ATOM 919 O VAL A 476 -7.805 -46.656 -29.480 1.00 25.00 O ATOM 920 CB VAL A 476 -8.327 -45.748 -32.599 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.714 -44.293 -32.542 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.809 -45.898 -32.459 1.00 25.00 C ATOM 0 H VAL A 476 -10.873 -45.983 -32.422 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.700 -47.627 -31.661 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.638 -46.126 -33.573 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.170 -43.742 -33.309 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.786 -44.194 -32.715 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.466 -43.889 -31.560 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.312 -45.291 -33.216 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.501 -45.567 -31.467 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.533 -46.944 -32.594 1.00 25.00 H new ATOM 932 N HIS A 477 -9.541 -45.243 -29.595 1.00 25.00 N ATOM 933 CA HIS A 477 -9.362 -44.749 -28.255 1.00 25.00 C ATOM 934 C HIS A 477 -9.534 -45.880 -27.250 1.00 25.00 C ATOM 935 O HIS A 477 -8.838 -45.925 -26.251 1.00 25.00 O ATOM 936 CB HIS A 477 -10.368 -43.637 -27.991 1.00 25.00 C ATOM 937 CG HIS A 477 -10.075 -42.858 -26.748 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.968 -42.036 -26.108 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.937 -42.783 -26.008 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.366 -41.519 -25.039 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.124 -41.945 -24.928 1.00 25.00 N ATOM 0 H HIS A 477 -10.325 -44.825 -30.097 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.354 -44.350 -28.145 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.380 -42.957 -28.843 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.366 -44.069 -27.914 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -8.018 -43.305 -26.233 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.837 -40.835 -24.348 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.448 -41.707 -24.202 1.00 25.00 H new ATOM 949 N ALA A 478 -10.442 -46.810 -27.518 1.00 25.00 N ATOM 950 CA ALA A 478 -10.660 -47.919 -26.603 1.00 25.00 C ATOM 951 C ALA A 478 -9.374 -48.738 -26.446 1.00 25.00 C ATOM 952 O ALA A 478 -8.993 -49.093 -25.337 1.00 25.00 O ATOM 953 CB ALA A 478 -11.807 -48.802 -27.100 1.00 25.00 C ATOM 0 H ALA A 478 -11.031 -46.818 -28.350 1.00 25.00 H new ATOM 0 HA ALA A 478 -10.935 -47.519 -25.627 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -11.958 -49.628 -26.405 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.720 -48.210 -27.165 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.561 -49.198 -28.085 1.00 25.00 H new ATOM 959 N ILE A 479 -8.696 -49.030 -27.548 1.00 25.00 N ATOM 960 CA ILE A 479 -7.464 -49.823 -27.482 1.00 25.00 C ATOM 961 C ILE A 479 -6.352 -48.998 -26.859 1.00 25.00 C ATOM 962 O ILE A 479 -5.505 -49.526 -26.154 1.00 25.00 O ATOM 963 CB ILE A 479 -6.997 -50.303 -28.869 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.133 -51.029 -29.591 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.794 -51.263 -28.752 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.466 -50.367 -30.857 1.00 25.00 C ATOM 0 H ILE A 479 -8.968 -48.738 -28.487 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.686 -50.700 -26.874 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.697 -49.421 -29.435 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.844 -52.062 -29.783 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.014 -51.059 -28.950 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.487 -51.585 -29.747 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -4.965 -50.750 -28.265 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.079 -52.133 -28.161 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.277 -50.906 -31.347 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.779 -49.342 -30.660 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.590 -50.361 -31.506 1.00 25.00 H new ATOM 978 N ALA A 480 -6.361 -47.696 -27.095 1.00 25.00 N ATOM 979 CA ALA A 480 -5.354 -46.816 -26.516 1.00 25.00 C ATOM 980 C ALA A 480 -5.403 -46.931 -24.982 1.00 25.00 C ATOM 981 O ALA A 480 -4.398 -46.756 -24.294 1.00 25.00 O ATOM 982 CB ALA A 480 -5.592 -45.366 -26.972 1.00 25.00 C ATOM 0 H ALA A 480 -7.051 -47.225 -27.681 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.363 -47.114 -26.858 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.834 -44.717 -26.533 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.531 -45.312 -28.059 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.580 -45.040 -26.647 1.00 25.00 H new ATOM 988 N LEU A 481 -6.576 -47.239 -24.449 1.00 25.00 N ATOM 989 CA LEU A 481 -6.723 -47.425 -23.004 1.00 25.00 C ATOM 990 C LEU A 481 -6.223 -48.786 -22.608 1.00 25.00 C ATOM 991 O LEU A 481 -5.509 -48.932 -21.638 1.00 25.00 O ATOM 992 CB LEU A 481 -8.171 -47.264 -22.568 1.00 25.00 C ATOM 993 CG LEU A 481 -8.668 -45.880 -22.956 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.178 -45.900 -23.084 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.226 -44.805 -21.968 1.00 25.00 C ATOM 0 H LEU A 481 -7.435 -47.365 -24.985 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.131 -46.658 -22.506 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.790 -48.029 -23.037 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.255 -47.403 -21.490 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.222 -45.623 -23.917 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.533 -44.908 -23.362 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.469 -46.617 -23.851 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.620 -46.189 -22.131 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.607 -43.836 -22.290 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.618 -45.038 -20.978 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.137 -44.772 -21.929 1.00 25.00 H new ATOM 1007 N MET A 482 -6.589 -49.796 -23.374 1.00 25.00 N ATOM 1008 CA MET A 482 -6.168 -51.162 -23.072 1.00 25.00 C ATOM 1009 C MET A 482 -4.668 -51.290 -23.093 1.00 25.00 C ATOM 1010 O MET A 482 -4.086 -52.102 -22.376 1.00 25.00 O ATOM 1011 CB MET A 482 -6.750 -52.134 -24.089 1.00 25.00 C ATOM 1012 CG MET A 482 -8.223 -52.068 -24.092 1.00 25.00 C ATOM 1013 SD MET A 482 -9.027 -53.556 -24.705 1.00 25.00 S ATOM 1014 CE MET A 482 -8.873 -53.321 -26.478 1.00 25.00 C ATOM 0 H MET A 482 -7.173 -49.704 -24.205 1.00 25.00 H new ATOM 0 HA MET A 482 -6.534 -51.400 -22.073 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.369 -51.899 -25.083 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.427 -53.149 -23.855 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.569 -51.874 -23.077 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.536 -51.221 -24.703 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.327 -54.165 -26.998 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.380 -52.401 -26.768 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.819 -53.254 -26.746 1.00 25.00 H new ATOM 1024 N THR A 483 -4.033 -50.491 -23.928 1.00 25.00 N ATOM 1025 CA THR A 483 -2.594 -50.625 -24.104 1.00 25.00 C ATOM 1026 C THR A 483 -1.855 -50.010 -22.936 1.00 25.00 C ATOM 1027 O THR A 483 -0.794 -50.496 -22.557 1.00 25.00 O ATOM 1028 CB THR A 483 -2.136 -50.045 -25.437 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.715 -48.756 -25.620 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.602 -50.938 -26.571 1.00 25.00 C ATOM 0 H THR A 483 -4.474 -49.759 -24.484 1.00 25.00 H new ATOM 0 HA THR A 483 -2.353 -51.688 -24.126 1.00 25.00 H new ATOM 0 HB THR A 483 -1.048 -49.976 -25.435 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.632 -48.853 -25.952 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.273 -50.520 -27.522 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.179 -51.935 -26.447 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.690 -51.002 -26.560 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.412 -48.969 -22.335 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.806 -48.398 -21.136 1.00 25.00 C ATOM 1040 C GLN A 484 -2.261 -49.149 -19.880 1.00 25.00 C ATOM 1041 O GLN A 484 -1.507 -49.248 -18.919 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.083 -46.889 -21.027 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.547 -46.506 -20.914 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.756 -45.016 -20.956 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.624 -44.335 -19.956 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.091 -44.506 -22.111 1.00 25.00 N ATOM 0 H GLN A 484 -3.266 -48.508 -22.648 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.726 -48.519 -21.220 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.555 -46.501 -20.156 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.661 -46.395 -21.902 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.105 -46.971 -21.726 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -3.952 -46.901 -19.982 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.191 -45.111 -22.926 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.252 -43.503 -22.198 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.471 -49.702 -19.879 1.00 25.00 N ATOM 1056 CA PHE A 485 -3.955 -50.462 -18.730 1.00 25.00 C ATOM 1057 C PHE A 485 -3.139 -51.739 -18.585 1.00 25.00 C ATOM 1058 O PHE A 485 -2.745 -52.116 -17.480 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.431 -50.810 -18.908 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.365 -49.889 -18.162 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.024 -50.339 -17.002 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.592 -48.569 -18.608 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.910 -49.486 -16.295 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.476 -47.710 -17.911 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.135 -48.171 -16.752 1.00 25.00 C ATOM 0 H PHE A 485 -4.130 -49.639 -20.655 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.845 -49.855 -17.832 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.677 -50.780 -19.970 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.597 -51.833 -18.571 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.853 -51.344 -16.647 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.085 -48.210 -19.492 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.412 -49.843 -15.408 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.645 -46.704 -18.266 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.809 -47.519 -16.217 1.00 25.00 H new