USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 330 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 423 MET CE :methyl -165:sc= -0.0284 (180deg=-0.296) USER MOD Single : A 433 MET CE :methyl -151:sc=-0.00238 (180deg=-1.34) USER MOD Single : A 434 THR OG1 : rot 73:sc= 1.06 USER MOD Single : A 436 GLN : amide:sc= 0.273 X(o=0.27,f=-0.016) USER MOD Single : A 464 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.57) USER MOD Single : A 467 GLN : amide:sc=-0.00827 X(o=-0.0083,f=-0.29) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 477 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc=-0.00927 (180deg=-0.00927) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -48.948 -11.772 -43.523 1.00 25.00 N ATOM 114 CA GLU A 419 -48.414 -11.960 -44.872 1.00 25.00 C ATOM 115 C GLU A 419 -46.931 -12.297 -44.777 1.00 25.00 C ATOM 116 O GLU A 419 -46.408 -13.068 -45.559 1.00 25.00 O ATOM 117 CB GLU A 419 -48.605 -10.682 -45.701 1.00 25.00 C ATOM 118 CG GLU A 419 -50.069 -10.250 -45.839 1.00 25.00 C ATOM 119 CD GLU A 419 -50.217 -8.881 -46.495 1.00 25.00 C ATOM 120 OE1 GLU A 419 -49.740 -7.883 -45.902 1.00 25.00 O ATOM 121 OE2 GLU A 419 -50.814 -8.791 -47.583 1.00 25.00 O ATOM 0 HA GLU A 419 -48.947 -12.775 -45.362 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -48.039 -9.873 -45.240 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -48.186 -10.838 -46.695 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -50.609 -10.991 -46.428 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -50.532 -10.228 -44.853 1.00 25.00 H new ATOM 128 N VAL A 420 -46.259 -11.717 -43.791 1.00 25.00 N ATOM 129 CA VAL A 420 -44.831 -11.970 -43.573 1.00 25.00 C ATOM 130 C VAL A 420 -44.623 -13.411 -43.081 1.00 25.00 C ATOM 131 O VAL A 420 -43.585 -14.022 -43.322 1.00 25.00 O ATOM 132 CB VAL A 420 -44.234 -10.947 -42.554 1.00 25.00 C ATOM 133 CG1 VAL A 420 -42.719 -11.133 -42.396 1.00 25.00 C ATOM 134 CG2 VAL A 420 -44.509 -9.512 -43.026 1.00 25.00 C ATOM 0 H VAL A 420 -46.676 -11.066 -43.126 1.00 25.00 H new ATOM 0 HA VAL A 420 -44.306 -11.843 -44.520 1.00 25.00 H new ATOM 0 HB VAL A 420 -44.713 -11.125 -41.591 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -42.336 -10.406 -41.680 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -42.512 -12.141 -42.036 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -42.232 -10.985 -43.360 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -44.089 -8.806 -42.309 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -44.049 -9.355 -44.002 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -45.585 -9.354 -43.103 1.00 25.00 H new ATOM 144 N SER A 421 -45.619 -13.966 -42.408 1.00 25.00 N ATOM 145 CA SER A 421 -45.518 -15.343 -41.929 1.00 25.00 C ATOM 146 C SER A 421 -45.532 -16.299 -43.124 1.00 25.00 C ATOM 147 O SER A 421 -44.790 -17.280 -43.158 1.00 25.00 O ATOM 148 CB SER A 421 -46.669 -15.666 -40.977 1.00 25.00 C ATOM 149 OG SER A 421 -46.694 -14.741 -39.894 1.00 25.00 O ATOM 0 H SER A 421 -46.495 -13.496 -42.182 1.00 25.00 H new ATOM 0 HA SER A 421 -44.582 -15.462 -41.383 1.00 25.00 H new ATOM 0 HB2 SER A 421 -47.616 -15.630 -41.516 1.00 25.00 H new ATOM 0 HB3 SER A 421 -46.559 -16.681 -40.594 1.00 25.00 H new ATOM 0 HG SER A 421 -47.437 -14.960 -39.294 1.00 25.00 H new ATOM 155 N ASP A 422 -46.365 -15.995 -44.112 1.00 25.00 N ATOM 156 CA ASP A 422 -46.443 -16.802 -45.333 1.00 25.00 C ATOM 157 C ASP A 422 -45.233 -16.524 -46.215 1.00 25.00 C ATOM 158 O ASP A 422 -44.781 -17.393 -46.960 1.00 25.00 O ATOM 159 CB ASP A 422 -47.727 -16.480 -46.105 1.00 25.00 C ATOM 160 CG ASP A 422 -48.978 -16.961 -45.385 1.00 25.00 C ATOM 161 OD1 ASP A 422 -49.961 -16.192 -45.318 1.00 25.00 O ATOM 162 OD2 ASP A 422 -48.984 -18.113 -44.894 1.00 25.00 O ATOM 0 H ASP A 422 -46.998 -15.196 -44.096 1.00 25.00 H new ATOM 0 HA ASP A 422 -46.454 -17.856 -45.054 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -47.793 -15.403 -46.260 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -47.679 -16.942 -47.091 1.00 25.00 H new ATOM 167 N MET A 423 -44.702 -15.314 -46.115 1.00 25.00 N ATOM 168 CA MET A 423 -43.524 -14.913 -46.882 1.00 25.00 C ATOM 169 C MET A 423 -42.341 -15.815 -46.545 1.00 25.00 C ATOM 170 O MET A 423 -41.597 -16.219 -47.422 1.00 25.00 O ATOM 171 CB MET A 423 -43.174 -13.454 -46.586 1.00 25.00 C ATOM 172 CG MET A 423 -42.136 -12.847 -47.510 1.00 25.00 C ATOM 173 SD MET A 423 -41.767 -11.134 -47.025 1.00 25.00 S ATOM 174 CE MET A 423 -43.314 -10.278 -47.437 1.00 25.00 C ATOM 0 H MET A 423 -45.070 -14.584 -45.505 1.00 25.00 H new ATOM 0 HA MET A 423 -43.749 -15.013 -47.944 1.00 25.00 H new ATOM 0 HB2 MET A 423 -44.085 -12.858 -46.645 1.00 25.00 H new ATOM 0 HB3 MET A 423 -42.812 -13.383 -45.560 1.00 25.00 H new ATOM 0 HG2 MET A 423 -41.224 -13.443 -47.481 1.00 25.00 H new ATOM 0 HG3 MET A 423 -42.499 -12.869 -48.537 1.00 25.00 H new ATOM 0 HE1 MET A 423 -43.143 -9.201 -47.445 1.00 25.00 H new ATOM 0 HE2 MET A 423 -43.656 -10.598 -48.421 1.00 25.00 H new ATOM 0 HE3 MET A 423 -44.073 -10.520 -46.693 1.00 25.00 H new ATOM 184 N ALA A 424 -42.181 -16.144 -45.271 1.00 25.00 N ATOM 185 CA ALA A 424 -41.087 -17.013 -44.844 1.00 25.00 C ATOM 186 C ALA A 424 -41.240 -18.426 -45.431 1.00 25.00 C ATOM 187 O ALA A 424 -40.254 -19.103 -45.736 1.00 25.00 O ATOM 188 CB ALA A 424 -41.052 -17.073 -43.312 1.00 25.00 C ATOM 0 H ALA A 424 -42.790 -15.826 -44.517 1.00 25.00 H new ATOM 0 HA ALA A 424 -40.148 -16.600 -45.213 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -40.236 -17.721 -42.992 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -40.898 -16.071 -42.912 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -41.997 -17.470 -42.942 1.00 25.00 H new ATOM 194 N ALA A 425 -42.478 -18.874 -45.578 1.00 25.00 N ATOM 195 CA ALA A 425 -42.748 -20.209 -46.098 1.00 25.00 C ATOM 196 C ALA A 425 -42.464 -20.284 -47.601 1.00 25.00 C ATOM 197 O ALA A 425 -41.844 -21.237 -48.082 1.00 25.00 O ATOM 198 CB ALA A 425 -44.208 -20.590 -45.816 1.00 25.00 C ATOM 0 H ALA A 425 -43.312 -18.334 -45.345 1.00 25.00 H new ATOM 0 HA ALA A 425 -42.086 -20.914 -45.595 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -44.405 -21.588 -46.206 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -44.386 -20.579 -44.741 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -44.871 -19.873 -46.301 1.00 25.00 H new ATOM 204 N VAL A 426 -42.927 -19.287 -48.342 1.00 25.00 N ATOM 205 CA VAL A 426 -42.744 -19.273 -49.790 1.00 25.00 C ATOM 206 C VAL A 426 -41.282 -19.045 -50.143 1.00 25.00 C ATOM 207 O VAL A 426 -40.786 -19.612 -51.106 1.00 25.00 O ATOM 208 CB VAL A 426 -43.687 -18.240 -50.464 1.00 25.00 C ATOM 209 CG1 VAL A 426 -43.349 -16.813 -50.102 1.00 25.00 C ATOM 210 CG2 VAL A 426 -43.698 -18.421 -51.974 1.00 25.00 C ATOM 0 H VAL A 426 -43.429 -18.481 -47.969 1.00 25.00 H new ATOM 0 HA VAL A 426 -43.021 -20.250 -50.185 1.00 25.00 H new ATOM 0 HB VAL A 426 -44.687 -18.435 -50.077 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -44.042 -16.137 -50.603 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -43.430 -16.682 -49.023 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -42.330 -16.589 -50.419 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -44.366 -17.686 -52.424 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -42.690 -18.282 -52.364 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -44.046 -19.425 -52.218 1.00 25.00 H new ATOM 220 N GLU A 427 -40.591 -18.249 -49.342 1.00 25.00 N ATOM 221 CA GLU A 427 -39.151 -18.025 -49.538 1.00 25.00 C ATOM 222 C GLU A 427 -38.415 -19.358 -49.548 1.00 25.00 C ATOM 223 O GLU A 427 -37.597 -19.626 -50.420 1.00 25.00 O ATOM 224 CB GLU A 427 -38.544 -17.176 -48.416 1.00 25.00 C ATOM 225 CG GLU A 427 -38.006 -15.833 -48.876 1.00 25.00 C ATOM 226 CD GLU A 427 -37.005 -15.246 -47.880 1.00 25.00 C ATOM 227 OE1 GLU A 427 -37.211 -15.397 -46.653 1.00 25.00 O ATOM 228 OE2 GLU A 427 -36.003 -14.639 -48.325 1.00 25.00 O ATOM 0 H GLU A 427 -40.993 -17.746 -48.551 1.00 25.00 H new ATOM 0 HA GLU A 427 -39.041 -17.501 -50.488 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -39.302 -17.009 -47.651 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -37.736 -17.737 -47.947 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -37.526 -15.948 -49.848 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -38.834 -15.137 -49.010 1.00 25.00 H new ATOM 235 N ALA A 428 -38.714 -20.210 -48.578 1.00 25.00 N ATOM 236 CA ALA A 428 -38.052 -21.505 -48.491 1.00 25.00 C ATOM 237 C ALA A 428 -38.372 -22.349 -49.730 1.00 25.00 C ATOM 238 O ALA A 428 -37.505 -23.062 -50.254 1.00 25.00 O ATOM 239 CB ALA A 428 -38.490 -22.228 -47.213 1.00 25.00 C ATOM 0 H ALA A 428 -39.403 -20.032 -47.847 1.00 25.00 H new ATOM 0 HA ALA A 428 -36.973 -21.353 -48.452 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -37.992 -23.196 -47.153 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -38.221 -21.627 -46.344 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -39.570 -22.376 -47.231 1.00 25.00 H new ATOM 245 N ALA A 429 -39.611 -22.257 -50.192 1.00 25.00 N ATOM 246 CA ALA A 429 -40.061 -23.023 -51.345 1.00 25.00 C ATOM 247 C ALA A 429 -39.388 -22.558 -52.643 1.00 25.00 C ATOM 248 O ALA A 429 -38.943 -23.380 -53.434 1.00 25.00 O ATOM 249 CB ALA A 429 -41.587 -22.923 -51.473 1.00 25.00 C ATOM 0 H ALA A 429 -40.326 -21.656 -49.783 1.00 25.00 H new ATOM 0 HA ALA A 429 -39.774 -24.062 -51.185 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -41.918 -23.498 -52.338 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -42.055 -23.320 -50.572 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -41.874 -21.879 -51.600 1.00 25.00 H new ATOM 255 N GLU A 430 -39.317 -21.257 -52.879 1.00 25.00 N ATOM 256 CA GLU A 430 -38.711 -20.765 -54.117 1.00 25.00 C ATOM 257 C GLU A 430 -37.200 -20.960 -54.087 1.00 25.00 C ATOM 258 O GLU A 430 -36.584 -21.247 -55.121 1.00 25.00 O ATOM 259 CB GLU A 430 -39.109 -19.309 -54.406 1.00 25.00 C ATOM 260 CG GLU A 430 -38.575 -18.271 -53.441 1.00 25.00 C ATOM 261 CD GLU A 430 -39.193 -16.906 -53.692 1.00 25.00 C ATOM 262 OE1 GLU A 430 -38.514 -16.044 -54.286 1.00 25.00 O ATOM 263 OE2 GLU A 430 -40.366 -16.700 -53.304 1.00 25.00 O ATOM 0 H GLU A 430 -39.662 -20.533 -52.249 1.00 25.00 H new ATOM 0 HA GLU A 430 -39.101 -21.356 -54.946 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -38.769 -19.053 -55.409 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -40.197 -19.245 -54.412 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -38.783 -18.583 -52.418 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -37.492 -18.205 -53.540 1.00 25.00 H new ATOM 270 N LEU A 431 -36.596 -20.850 -52.910 1.00 25.00 N ATOM 271 CA LEU A 431 -35.165 -21.088 -52.780 1.00 25.00 C ATOM 272 C LEU A 431 -34.864 -22.526 -53.170 1.00 25.00 C ATOM 273 O LEU A 431 -33.876 -22.786 -53.857 1.00 25.00 O ATOM 274 CB LEU A 431 -34.684 -20.822 -51.349 1.00 25.00 C ATOM 275 CG LEU A 431 -34.447 -19.344 -50.988 1.00 25.00 C ATOM 276 CD1 LEU A 431 -34.278 -19.206 -49.474 1.00 25.00 C ATOM 277 CD2 LEU A 431 -33.205 -18.786 -51.696 1.00 25.00 C ATOM 0 H LEU A 431 -37.069 -20.600 -52.041 1.00 25.00 H new ATOM 0 HA LEU A 431 -34.635 -20.402 -53.441 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -35.418 -21.233 -50.656 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -33.755 -21.369 -51.190 1.00 25.00 H new ATOM 0 HG LEU A 431 -35.313 -18.772 -51.320 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -34.110 -18.159 -49.221 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -35.179 -19.561 -48.973 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -33.424 -19.800 -49.148 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -33.067 -17.741 -51.419 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -32.327 -19.359 -51.397 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -33.337 -18.861 -52.775 1.00 25.00 H new ATOM 289 N GLU A 432 -35.686 -23.476 -52.739 1.00 25.00 N ATOM 290 CA GLU A 432 -35.466 -24.858 -53.153 1.00 25.00 C ATOM 291 C GLU A 432 -35.879 -25.133 -54.597 1.00 25.00 C ATOM 292 O GLU A 432 -35.251 -25.955 -55.263 1.00 25.00 O ATOM 293 CB GLU A 432 -36.024 -25.887 -52.166 1.00 25.00 C ATOM 294 CG GLU A 432 -37.504 -26.177 -52.206 1.00 25.00 C ATOM 295 CD GLU A 432 -37.831 -27.390 -51.343 1.00 25.00 C ATOM 296 OE1 GLU A 432 -38.847 -28.062 -51.607 1.00 25.00 O ATOM 297 OE2 GLU A 432 -37.045 -27.683 -50.404 1.00 25.00 O ATOM 0 H GLU A 432 -36.485 -23.325 -52.124 1.00 25.00 H new ATOM 0 HA GLU A 432 -34.384 -24.989 -53.129 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -35.495 -26.826 -52.328 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -35.777 -25.552 -51.159 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -38.061 -25.310 -51.851 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -37.818 -26.359 -53.234 1.00 25.00 H new ATOM 304 N MET A 433 -36.901 -24.453 -55.100 1.00 25.00 N ATOM 305 CA MET A 433 -37.319 -24.642 -56.491 1.00 25.00 C ATOM 306 C MET A 433 -36.215 -24.213 -57.437 1.00 25.00 C ATOM 307 O MET A 433 -36.001 -24.853 -58.455 1.00 25.00 O ATOM 308 CB MET A 433 -38.591 -23.860 -56.818 1.00 25.00 C ATOM 309 CG MET A 433 -39.855 -24.649 -56.541 1.00 25.00 C ATOM 310 SD MET A 433 -41.359 -23.815 -57.122 1.00 25.00 S ATOM 311 CE MET A 433 -41.538 -22.464 -55.938 1.00 25.00 C ATOM 0 H MET A 433 -37.453 -23.773 -54.577 1.00 25.00 H new ATOM 0 HA MET A 433 -37.528 -25.704 -56.619 1.00 25.00 H new ATOM 0 HB2 MET A 433 -38.607 -22.941 -56.233 1.00 25.00 H new ATOM 0 HB3 MET A 433 -38.573 -23.569 -57.868 1.00 25.00 H new ATOM 0 HG2 MET A 433 -39.779 -25.625 -57.021 1.00 25.00 H new ATOM 0 HG3 MET A 433 -39.937 -24.827 -55.469 1.00 25.00 H new ATOM 0 HE1 MET A 433 -42.593 -22.211 -55.831 1.00 25.00 H new ATOM 0 HE2 MET A 433 -41.139 -22.772 -54.972 1.00 25.00 H new ATOM 0 HE3 MET A 433 -40.990 -21.592 -56.295 1.00 25.00 H new ATOM 321 N THR A 434 -35.497 -23.153 -57.092 1.00 25.00 N ATOM 322 CA THR A 434 -34.371 -22.671 -57.905 1.00 25.00 C ATOM 323 C THR A 434 -33.339 -23.788 -58.115 1.00 25.00 C ATOM 324 O THR A 434 -32.695 -23.888 -59.152 1.00 25.00 O ATOM 325 CB THR A 434 -33.686 -21.460 -57.213 1.00 25.00 C ATOM 326 OG1 THR A 434 -34.660 -20.443 -56.968 1.00 25.00 O ATOM 327 CG2 THR A 434 -32.600 -20.850 -58.088 1.00 25.00 C ATOM 0 H THR A 434 -35.670 -22.603 -56.251 1.00 25.00 H new ATOM 0 HA THR A 434 -34.761 -22.360 -58.874 1.00 25.00 H new ATOM 0 HB THR A 434 -33.240 -21.823 -56.287 1.00 25.00 H new ATOM 0 HG1 THR A 434 -35.249 -20.724 -56.237 1.00 25.00 H new ATOM 0 HG21 THR A 434 -32.145 -20.006 -57.569 1.00 25.00 H new ATOM 0 HG22 THR A 434 -31.838 -21.600 -58.298 1.00 25.00 H new ATOM 0 HG23 THR A 434 -33.038 -20.506 -59.025 1.00 25.00 H new ATOM 335 N ARG A 435 -33.196 -24.650 -57.122 1.00 25.00 N ATOM 336 CA ARG A 435 -32.232 -25.757 -57.188 1.00 25.00 C ATOM 337 C ARG A 435 -32.708 -26.793 -58.183 1.00 25.00 C ATOM 338 O ARG A 435 -31.932 -27.304 -58.974 1.00 25.00 O ATOM 339 CB ARG A 435 -32.061 -26.409 -55.811 1.00 25.00 C ATOM 340 CG ARG A 435 -31.804 -25.396 -54.720 1.00 25.00 C ATOM 341 CD ARG A 435 -31.770 -26.012 -53.330 1.00 25.00 C ATOM 342 NE ARG A 435 -32.073 -24.973 -52.327 1.00 25.00 N ATOM 343 CZ ARG A 435 -32.630 -25.182 -51.137 1.00 25.00 C ATOM 344 NH1 ARG A 435 -32.956 -26.378 -50.713 1.00 25.00 N ATOM 345 NH2 ARG A 435 -32.889 -24.159 -50.372 1.00 25.00 N ATOM 0 H ARG A 435 -33.732 -24.612 -56.255 1.00 25.00 H new ATOM 0 HA ARG A 435 -31.270 -25.358 -57.508 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -32.958 -26.980 -55.569 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -31.233 -27.117 -55.848 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -30.855 -24.896 -54.913 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -32.580 -24.631 -54.753 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -32.496 -26.822 -53.261 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -30.789 -26.446 -53.136 1.00 25.00 H new ATOM 0 HE ARG A 435 -31.835 -24.011 -52.567 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -32.784 -27.192 -51.303 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -33.381 -26.495 -49.793 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -32.665 -23.216 -50.689 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -33.316 -24.302 -49.457 1.00 25.00 H new ATOM 359 N GLN A 436 -33.997 -27.089 -58.144 1.00 25.00 N ATOM 360 CA GLN A 436 -34.579 -28.062 -59.080 1.00 25.00 C ATOM 361 C GLN A 436 -34.468 -27.501 -60.491 1.00 25.00 C ATOM 362 O GLN A 436 -34.165 -28.210 -61.437 1.00 25.00 O ATOM 363 CB GLN A 436 -36.063 -28.348 -58.788 1.00 25.00 C ATOM 364 CG GLN A 436 -36.457 -28.436 -57.316 1.00 25.00 C ATOM 365 CD GLN A 436 -35.597 -29.376 -56.506 1.00 25.00 C ATOM 366 OE1 GLN A 436 -35.256 -30.467 -56.931 1.00 25.00 O ATOM 367 NE2 GLN A 436 -35.247 -28.951 -55.324 1.00 25.00 N ATOM 0 H GLN A 436 -34.661 -26.680 -57.486 1.00 25.00 H new ATOM 0 HA GLN A 436 -34.030 -28.997 -58.969 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -36.661 -27.566 -59.256 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -36.332 -29.287 -59.271 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -36.403 -27.440 -56.876 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -37.496 -28.759 -57.247 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -35.551 -28.032 -55.002 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -34.669 -29.537 -54.722 1.00 25.00 H new ATOM 376 N VAL A 437 -34.710 -26.204 -60.598 1.00 25.00 N ATOM 377 CA VAL A 437 -34.639 -25.467 -61.855 1.00 25.00 C ATOM 378 C VAL A 437 -33.238 -25.557 -62.466 1.00 25.00 C ATOM 379 O VAL A 437 -33.098 -25.722 -63.672 1.00 25.00 O ATOM 380 CB VAL A 437 -35.072 -23.987 -61.583 1.00 25.00 C ATOM 381 CG1 VAL A 437 -34.437 -23.003 -62.546 1.00 25.00 C ATOM 382 CG2 VAL A 437 -36.607 -23.874 -61.610 1.00 25.00 C ATOM 0 H VAL A 437 -34.966 -25.621 -59.801 1.00 25.00 H new ATOM 0 HA VAL A 437 -35.317 -25.905 -62.587 1.00 25.00 H new ATOM 0 HB VAL A 437 -34.710 -23.719 -60.590 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -34.774 -21.994 -62.309 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -33.352 -23.054 -62.456 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -34.728 -23.253 -63.566 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -36.899 -22.841 -61.420 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -36.977 -24.182 -62.588 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -37.033 -24.519 -60.841 1.00 25.00 H new ATOM 392 N LEU A 438 -32.206 -25.474 -61.640 1.00 25.00 N ATOM 393 CA LEU A 438 -30.821 -25.566 -62.119 1.00 25.00 C ATOM 394 C LEU A 438 -30.457 -26.981 -62.578 1.00 25.00 C ATOM 395 O LEU A 438 -29.504 -27.168 -63.329 1.00 25.00 O ATOM 396 CB LEU A 438 -29.853 -25.124 -61.016 1.00 25.00 C ATOM 397 CG LEU A 438 -29.781 -23.606 -60.765 1.00 25.00 C ATOM 398 CD1 LEU A 438 -29.035 -23.338 -59.457 1.00 25.00 C ATOM 399 CD2 LEU A 438 -29.082 -22.880 -61.919 1.00 25.00 C ATOM 0 H LEU A 438 -32.294 -25.343 -60.632 1.00 25.00 H new ATOM 0 HA LEU A 438 -30.736 -24.904 -62.981 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -30.141 -25.615 -60.086 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -28.854 -25.480 -61.269 1.00 25.00 H new ATOM 0 HG LEU A 438 -30.800 -23.224 -60.696 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -28.985 -22.264 -59.280 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -29.563 -23.817 -58.632 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -28.025 -23.742 -59.525 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -29.049 -21.811 -61.709 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -28.066 -23.261 -62.026 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -29.633 -23.051 -62.844 1.00 25.00 H new ATOM 720 N ALA A 462 -18.475 -32.827 -45.329 1.00 25.00 N ATOM 721 CA ALA A 462 -17.311 -33.073 -44.491 1.00 25.00 C ATOM 722 C ALA A 462 -17.730 -33.464 -43.070 1.00 25.00 C ATOM 723 O ALA A 462 -17.159 -34.382 -42.484 1.00 25.00 O ATOM 724 CB ALA A 462 -16.417 -31.831 -44.461 1.00 25.00 C ATOM 0 HA ALA A 462 -16.750 -33.905 -44.917 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.548 -32.023 -43.832 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.087 -31.596 -45.473 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -16.978 -30.988 -44.057 1.00 25.00 H new ATOM 730 N LEU A 463 -18.727 -32.782 -42.516 1.00 25.00 N ATOM 731 CA LEU A 463 -19.184 -33.094 -41.165 1.00 25.00 C ATOM 732 C LEU A 463 -19.808 -34.485 -41.123 1.00 25.00 C ATOM 733 O LEU A 463 -19.646 -35.195 -40.150 1.00 25.00 O ATOM 734 CB LEU A 463 -20.133 -31.999 -40.644 1.00 25.00 C ATOM 735 CG LEU A 463 -21.663 -32.187 -40.675 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.182 -32.995 -39.487 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.309 -30.820 -40.660 1.00 25.00 C ATOM 0 H LEU A 463 -19.228 -32.020 -42.973 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.327 -33.109 -40.492 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -19.857 -31.806 -39.607 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -19.912 -31.092 -41.207 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.915 -32.743 -41.578 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.265 -33.096 -39.561 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.724 -33.984 -39.492 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -21.928 -32.482 -38.559 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.393 -30.930 -40.682 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.016 -30.289 -39.754 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -21.984 -30.254 -41.533 1.00 25.00 H new ATOM 749 N GLN A 464 -20.493 -34.899 -42.179 1.00 25.00 N ATOM 750 CA GLN A 464 -21.057 -36.252 -42.214 1.00 25.00 C ATOM 751 C GLN A 464 -19.943 -37.290 -42.195 1.00 25.00 C ATOM 752 O GLN A 464 -20.089 -38.369 -41.622 1.00 25.00 O ATOM 753 CB GLN A 464 -21.937 -36.445 -43.446 1.00 25.00 C ATOM 754 CG GLN A 464 -23.208 -35.607 -43.425 1.00 25.00 C ATOM 755 CD GLN A 464 -24.117 -35.960 -42.264 1.00 25.00 C ATOM 756 OE1 GLN A 464 -23.998 -35.417 -41.180 1.00 25.00 O ATOM 757 NE2 GLN A 464 -25.017 -36.874 -42.488 1.00 25.00 N ATOM 0 H GLN A 464 -20.673 -34.335 -43.010 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.678 -36.384 -41.328 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -21.361 -36.194 -44.337 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -22.207 -37.498 -43.528 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -22.942 -34.551 -43.366 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -23.748 -35.748 -44.361 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -25.086 -37.306 -43.409 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -25.653 -37.158 -41.742 1.00 25.00 H new ATOM 766 N GLY A 465 -18.817 -36.946 -42.797 1.00 25.00 N ATOM 767 CA GLY A 465 -17.659 -37.814 -42.761 1.00 25.00 C ATOM 768 C GLY A 465 -17.174 -37.884 -41.331 1.00 25.00 C ATOM 769 O GLY A 465 -16.883 -38.959 -40.834 1.00 25.00 O ATOM 0 H GLY A 465 -18.683 -36.076 -43.313 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.916 -38.808 -43.126 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.874 -37.429 -43.412 1.00 25.00 H new ATOM 773 N ALA A 466 -17.117 -36.738 -40.661 1.00 25.00 N ATOM 774 CA ALA A 466 -16.678 -36.661 -39.265 1.00 25.00 C ATOM 775 C ALA A 466 -17.491 -37.603 -38.364 1.00 25.00 C ATOM 776 O ALA A 466 -16.948 -38.240 -37.472 1.00 25.00 O ATOM 777 CB ALA A 466 -16.792 -35.222 -38.757 1.00 25.00 C ATOM 0 H ALA A 466 -17.372 -35.837 -41.065 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.636 -36.978 -39.226 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.463 -35.176 -37.719 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.165 -34.571 -39.366 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.829 -34.893 -38.824 1.00 25.00 H new ATOM 783 N GLN A 467 -18.786 -37.695 -38.609 1.00 25.00 N ATOM 784 CA GLN A 467 -19.642 -38.584 -37.829 1.00 25.00 C ATOM 785 C GLN A 467 -19.298 -40.055 -38.074 1.00 25.00 C ATOM 786 O GLN A 467 -19.242 -40.857 -37.145 1.00 25.00 O ATOM 787 CB GLN A 467 -21.095 -38.373 -38.230 1.00 25.00 C ATOM 788 CG GLN A 467 -21.616 -36.943 -38.056 1.00 25.00 C ATOM 789 CD GLN A 467 -21.553 -36.433 -36.632 1.00 25.00 C ATOM 790 OE1 GLN A 467 -21.654 -37.183 -35.676 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.396 -35.142 -36.492 1.00 25.00 N ATOM 0 H GLN A 467 -19.270 -37.170 -39.337 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.484 -38.349 -36.776 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.213 -38.662 -39.274 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.719 -39.045 -37.641 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.038 -36.276 -38.696 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.649 -36.899 -38.401 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.315 -34.546 -37.316 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -21.354 -34.731 -35.559 1.00 25.00 H new ATOM 800 N ALA A 468 -19.077 -40.412 -39.332 1.00 25.00 N ATOM 801 CA ALA A 468 -18.780 -41.796 -39.687 1.00 25.00 C ATOM 802 C ALA A 468 -17.418 -42.226 -39.134 1.00 25.00 C ATOM 803 O ALA A 468 -17.269 -43.315 -38.577 1.00 25.00 O ATOM 804 CB ALA A 468 -18.815 -41.959 -41.214 1.00 25.00 C ATOM 0 H ALA A 468 -19.097 -39.767 -40.122 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.539 -42.439 -39.241 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -18.593 -42.994 -41.475 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.805 -41.696 -41.585 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -18.072 -41.303 -41.667 1.00 25.00 H new ATOM 810 N VAL A 469 -16.423 -41.362 -39.278 1.00 25.00 N ATOM 811 CA VAL A 469 -15.075 -41.669 -38.800 1.00 25.00 C ATOM 812 C VAL A 469 -15.048 -41.720 -37.283 1.00 25.00 C ATOM 813 O VAL A 469 -14.223 -42.410 -36.711 1.00 25.00 O ATOM 814 CB VAL A 469 -13.992 -40.681 -39.332 1.00 25.00 C ATOM 815 CG1 VAL A 469 -14.016 -40.649 -40.858 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.200 -39.285 -38.790 1.00 25.00 C ATOM 0 H VAL A 469 -16.519 -40.447 -39.719 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.821 -42.650 -39.201 1.00 25.00 H new ATOM 0 HB VAL A 469 -13.021 -41.037 -38.988 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -13.256 -39.956 -41.219 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.811 -41.647 -41.246 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.998 -40.321 -41.200 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.427 -38.624 -39.182 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.180 -38.918 -39.095 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.143 -39.305 -37.702 1.00 25.00 H new ATOM 826 N ALA A 470 -15.936 -40.982 -36.627 1.00 25.00 N ATOM 827 CA ALA A 470 -15.988 -40.959 -35.163 1.00 25.00 C ATOM 828 C ALA A 470 -16.157 -42.368 -34.582 1.00 25.00 C ATOM 829 O ALA A 470 -15.666 -42.647 -33.489 1.00 25.00 O ATOM 830 CB ALA A 470 -17.113 -40.042 -34.674 1.00 25.00 C ATOM 0 H ALA A 470 -16.631 -40.390 -37.082 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.036 -40.564 -34.809 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.133 -40.040 -33.584 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.939 -39.028 -35.035 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.068 -40.404 -35.054 1.00 25.00 H new ATOM 836 N ALA A 471 -16.823 -43.258 -35.308 1.00 25.00 N ATOM 837 CA ALA A 471 -16.977 -44.639 -34.856 1.00 25.00 C ATOM 838 C ALA A 471 -15.602 -45.325 -34.785 1.00 25.00 C ATOM 839 O ALA A 471 -15.326 -46.088 -33.866 1.00 25.00 O ATOM 840 CB ALA A 471 -17.915 -45.400 -35.798 1.00 25.00 C ATOM 0 H ALA A 471 -17.263 -43.053 -36.205 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.416 -44.642 -33.859 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -18.023 -46.428 -35.452 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.892 -44.916 -35.808 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.499 -45.398 -36.805 1.00 25.00 H new ATOM 846 N ALA A 472 -14.740 -45.038 -35.750 1.00 25.00 N ATOM 847 CA ALA A 472 -13.383 -45.578 -35.757 1.00 25.00 C ATOM 848 C ALA A 472 -12.530 -44.895 -34.683 1.00 25.00 C ATOM 849 O ALA A 472 -11.665 -45.516 -34.083 1.00 25.00 O ATOM 850 CB ALA A 472 -12.748 -45.397 -37.144 1.00 25.00 C ATOM 0 H ALA A 472 -14.955 -44.432 -36.542 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.430 -46.643 -35.532 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.737 -45.803 -37.137 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.345 -45.923 -37.889 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.711 -44.336 -37.392 1.00 25.00 H new ATOM 856 N GLN A 473 -12.775 -43.617 -34.440 1.00 25.00 N ATOM 857 CA GLN A 473 -12.010 -42.873 -33.445 1.00 25.00 C ATOM 858 C GLN A 473 -12.302 -43.356 -32.031 1.00 25.00 C ATOM 859 O GLN A 473 -11.393 -43.568 -31.237 1.00 25.00 O ATOM 860 CB GLN A 473 -12.323 -41.373 -33.521 1.00 25.00 C ATOM 861 CG GLN A 473 -12.021 -40.719 -34.868 1.00 25.00 C ATOM 862 CD GLN A 473 -10.544 -40.524 -35.135 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.711 -40.659 -34.259 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.219 -40.204 -36.361 1.00 25.00 N ATOM 0 H GLN A 473 -13.495 -43.072 -34.915 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.958 -43.045 -33.671 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.378 -41.225 -33.290 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.752 -40.858 -32.748 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.446 -41.332 -35.663 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.519 -39.751 -34.911 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.945 -40.099 -37.070 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.240 -40.059 -36.608 1.00 25.00 H new ATOM 873 N ARG A 474 -13.571 -43.548 -31.706 1.00 25.00 N ATOM 874 CA ARG A 474 -13.921 -44.055 -30.373 1.00 25.00 C ATOM 875 C ARG A 474 -13.383 -45.472 -30.211 1.00 25.00 C ATOM 876 O ARG A 474 -13.094 -45.912 -29.106 1.00 25.00 O ATOM 877 CB ARG A 474 -15.436 -44.007 -30.119 1.00 25.00 C ATOM 878 CG ARG A 474 -16.280 -44.899 -31.014 1.00 25.00 C ATOM 879 CD ARG A 474 -17.768 -44.683 -30.782 1.00 25.00 C ATOM 880 NE ARG A 474 -18.183 -45.101 -29.430 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.415 -45.000 -28.941 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.406 -44.493 -29.635 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.655 -45.418 -27.729 1.00 25.00 N ATOM 0 H ARG A 474 -14.363 -43.368 -32.323 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.459 -43.407 -29.628 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.621 -44.284 -29.081 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.774 -42.978 -30.239 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.041 -44.697 -32.058 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.030 -45.943 -30.826 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.008 -43.629 -30.925 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.336 -45.243 -31.525 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.468 -45.499 -28.822 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.245 -44.159 -30.585 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.338 -44.433 -29.224 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -18.902 -45.817 -27.168 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.596 -45.346 -27.342 1.00 25.00 H new ATOM 897 N LEU A 475 -13.237 -46.167 -31.326 1.00 25.00 N ATOM 898 CA LEU A 475 -12.684 -47.514 -31.337 1.00 25.00 C ATOM 899 C LEU A 475 -11.176 -47.478 -31.062 1.00 25.00 C ATOM 900 O LEU A 475 -10.703 -48.198 -30.196 1.00 25.00 O ATOM 901 CB LEU A 475 -12.986 -48.183 -32.691 1.00 25.00 C ATOM 902 CG LEU A 475 -11.920 -49.100 -33.313 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.754 -50.392 -32.498 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.291 -49.446 -34.739 1.00 25.00 C ATOM 0 H LEU A 475 -13.497 -45.816 -32.248 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.150 -48.102 -30.546 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.899 -48.768 -32.575 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.203 -47.393 -33.410 1.00 25.00 H new ATOM 0 HG LEU A 475 -10.973 -48.560 -33.305 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -10.994 -51.020 -32.962 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.449 -50.144 -31.481 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.702 -50.930 -32.471 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.527 -50.096 -35.166 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.252 -49.960 -34.750 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.361 -48.532 -35.329 1.00 25.00 H new ATOM 916 N VAL A 476 -10.419 -46.660 -31.782 1.00 25.00 N ATOM 917 CA VAL A 476 -8.964 -46.641 -31.598 1.00 25.00 C ATOM 918 C VAL A 476 -8.641 -46.181 -30.183 1.00 25.00 C ATOM 919 O VAL A 476 -7.719 -46.685 -29.536 1.00 25.00 O ATOM 920 CB VAL A 476 -8.231 -45.790 -32.687 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.650 -44.343 -32.671 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.711 -45.909 -32.535 1.00 25.00 C ATOM 0 H VAL A 476 -10.773 -46.012 -32.486 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.585 -47.655 -31.729 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.526 -46.197 -33.654 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.110 -43.799 -33.447 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.722 -44.272 -32.857 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.421 -43.909 -31.698 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.221 -45.310 -33.302 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.415 -45.550 -31.549 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.415 -46.952 -32.645 1.00 25.00 H new ATOM 932 N HIS A 477 -9.431 -45.243 -29.691 1.00 25.00 N ATOM 933 CA HIS A 477 -9.273 -44.741 -28.352 1.00 25.00 C ATOM 934 C HIS A 477 -9.524 -45.855 -27.346 1.00 25.00 C ATOM 935 O HIS A 477 -8.865 -45.914 -26.326 1.00 25.00 O ATOM 936 CB HIS A 477 -10.244 -43.588 -28.127 1.00 25.00 C ATOM 937 CG HIS A 477 -9.953 -42.803 -26.887 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.836 -41.946 -26.279 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.827 -42.744 -26.129 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.237 -41.423 -25.210 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.009 -41.879 -25.070 1.00 25.00 N ATOM 0 H HIS A 477 -10.195 -44.814 -30.212 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.254 -44.379 -28.216 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.210 -42.920 -28.988 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.259 -43.982 -28.069 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.920 -43.295 -26.327 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.701 -40.713 -24.541 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.339 -41.644 -24.338 1.00 25.00 H new ATOM 949 N ALA A 478 -10.461 -46.751 -27.633 1.00 25.00 N ATOM 950 CA ALA A 478 -10.756 -47.837 -26.710 1.00 25.00 C ATOM 951 C ALA A 478 -9.505 -48.676 -26.461 1.00 25.00 C ATOM 952 O ALA A 478 -9.193 -48.996 -25.324 1.00 25.00 O ATOM 953 CB ALA A 478 -11.893 -48.713 -27.249 1.00 25.00 C ATOM 0 H ALA A 478 -11.022 -46.747 -28.485 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.079 -47.405 -25.763 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.097 -49.519 -26.544 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.790 -48.107 -27.377 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.601 -49.137 -28.210 1.00 25.00 H new ATOM 959 N ILE A 479 -8.779 -49.022 -27.515 1.00 25.00 N ATOM 960 CA ILE A 479 -7.579 -49.851 -27.358 1.00 25.00 C ATOM 961 C ILE A 479 -6.494 -49.051 -26.662 1.00 25.00 C ATOM 962 O ILE A 479 -5.743 -49.586 -25.862 1.00 25.00 O ATOM 963 CB ILE A 479 -7.022 -50.361 -28.706 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.125 -51.052 -29.517 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.863 -51.361 -28.483 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.333 -50.391 -30.820 1.00 25.00 C ATOM 0 H ILE A 479 -8.990 -48.750 -28.475 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.872 -50.718 -26.766 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.650 -49.497 -29.256 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.860 -52.097 -29.676 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.056 -51.042 -28.950 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.489 -51.705 -29.447 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.059 -50.869 -27.936 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.224 -52.214 -27.909 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.121 -50.907 -31.368 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.623 -49.353 -30.659 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.409 -50.425 -31.397 1.00 25.00 H new ATOM 978 N ALA A 480 -6.427 -47.760 -26.948 1.00 25.00 N ATOM 979 CA ALA A 480 -5.434 -46.890 -26.332 1.00 25.00 C ATOM 980 C ALA A 480 -5.613 -46.911 -24.802 1.00 25.00 C ATOM 981 O ALA A 480 -4.667 -46.704 -24.043 1.00 25.00 O ATOM 982 CB ALA A 480 -5.581 -45.461 -26.898 1.00 25.00 C ATOM 0 H ALA A 480 -7.050 -47.289 -27.605 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.429 -47.244 -26.561 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.838 -44.809 -26.438 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.428 -45.480 -27.977 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.580 -45.084 -26.679 1.00 25.00 H new ATOM 988 N LEU A 481 -6.832 -47.174 -24.355 1.00 25.00 N ATOM 989 CA LEU A 481 -7.109 -47.301 -22.920 1.00 25.00 C ATOM 990 C LEU A 481 -6.736 -48.674 -22.431 1.00 25.00 C ATOM 991 O LEU A 481 -6.150 -48.825 -21.376 1.00 25.00 O ATOM 992 CB LEU A 481 -8.571 -47.032 -22.611 1.00 25.00 C ATOM 993 CG LEU A 481 -8.942 -45.638 -23.086 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.434 -45.584 -23.350 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.527 -44.556 -22.099 1.00 25.00 C ATOM 0 H LEU A 481 -7.645 -47.304 -24.956 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.504 -46.555 -22.403 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.200 -47.774 -23.102 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.750 -47.122 -21.539 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.395 -45.437 -24.007 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.707 -44.586 -23.691 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.694 -46.314 -24.117 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.975 -45.814 -22.432 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.816 -43.579 -22.487 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -9.021 -44.727 -21.143 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.446 -44.586 -21.959 1.00 25.00 H new ATOM 1007 N MET A 482 -7.070 -49.688 -23.209 1.00 25.00 N ATOM 1008 CA MET A 482 -6.768 -51.066 -22.827 1.00 25.00 C ATOM 1009 C MET A 482 -5.297 -51.283 -22.636 1.00 25.00 C ATOM 1010 O MET A 482 -4.885 -52.153 -21.879 1.00 25.00 O ATOM 1011 CB MET A 482 -7.253 -52.049 -23.888 1.00 25.00 C ATOM 1012 CG MET A 482 -8.708 -51.955 -24.065 1.00 25.00 C ATOM 1013 SD MET A 482 -9.477 -53.442 -24.720 1.00 25.00 S ATOM 1014 CE MET A 482 -9.235 -53.194 -26.472 1.00 25.00 C ATOM 0 H MET A 482 -7.548 -49.590 -24.105 1.00 25.00 H new ATOM 0 HA MET A 482 -7.287 -51.241 -21.884 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.754 -51.844 -24.835 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.983 -53.065 -23.599 1.00 25.00 H new ATOM 0 HG2 MET A 482 -9.164 -51.719 -23.103 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.927 -51.123 -24.734 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.659 -54.035 -27.021 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.729 -52.273 -26.781 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.169 -53.122 -26.685 1.00 25.00 H new ATOM 1024 N THR A 483 -4.489 -50.497 -23.316 1.00 25.00 N ATOM 1025 CA THR A 483 -3.050 -50.719 -23.235 1.00 25.00 C ATOM 1026 C THR A 483 -2.510 -50.168 -21.922 1.00 25.00 C ATOM 1027 O THR A 483 -1.637 -50.772 -21.298 1.00 25.00 O ATOM 1028 CB THR A 483 -2.337 -50.120 -24.444 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.718 -48.755 -24.588 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.744 -50.875 -25.713 1.00 25.00 C ATOM 0 H THR A 483 -4.783 -49.724 -23.912 1.00 25.00 H new ATOM 0 HA THR A 483 -2.855 -51.791 -23.252 1.00 25.00 H new ATOM 0 HB THR A 483 -1.260 -50.198 -24.296 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.260 -48.368 -25.363 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.232 -50.443 -26.573 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.468 -51.925 -25.616 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.822 -50.795 -25.854 1.00 25.00 H new ATOM 1038 N GLN A 484 -3.044 -49.039 -21.483 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.617 -48.443 -20.216 1.00 25.00 C ATOM 1040 C GLN A 484 -3.341 -49.078 -19.021 1.00 25.00 C ATOM 1041 O GLN A 484 -2.825 -49.059 -17.911 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.801 -46.917 -20.235 1.00 25.00 C ATOM 1043 CG GLN A 484 -4.220 -46.446 -20.486 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.310 -44.952 -20.649 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.265 -44.208 -19.686 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.449 -44.505 -21.871 1.00 25.00 N ATOM 0 H GLN A 484 -3.768 -48.517 -21.977 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.554 -48.650 -20.096 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -2.464 -46.514 -19.280 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.153 -46.498 -21.005 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.607 -46.930 -21.383 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.855 -46.757 -19.656 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.483 -45.159 -22.653 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.524 -43.502 -22.042 1.00 25.00 H new ATOM 1055 N PHE A 485 -4.520 -49.653 -19.233 1.00 25.00 N ATOM 1056 CA PHE A 485 -5.235 -50.327 -18.169 1.00 25.00 C ATOM 1057 C PHE A 485 -4.759 -51.765 -17.993 1.00 25.00 C ATOM 1058 O PHE A 485 -4.752 -52.284 -16.883 1.00 25.00 O ATOM 1059 CB PHE A 485 -6.733 -50.316 -18.456 1.00 25.00 C ATOM 1060 CG PHE A 485 -7.451 -49.141 -17.846 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.450 -47.884 -18.480 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -8.128 -49.285 -16.620 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.116 -46.776 -17.900 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -8.798 -48.184 -16.028 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.790 -46.929 -16.671 1.00 25.00 C ATOM 0 H PHE A 485 -4.996 -49.663 -20.135 1.00 25.00 H new ATOM 0 HA PHE A 485 -5.033 -49.788 -17.244 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.889 -50.307 -19.535 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -7.174 -51.238 -18.078 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.935 -47.763 -19.421 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -8.137 -50.245 -16.125 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.107 -45.817 -18.398 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -9.313 -48.307 -15.087 1.00 25.00 H new ATOM 0 HZ PHE A 485 -9.298 -46.088 -16.224 1.00 25.00 H new