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 174:sc= -0.0492 (180deg=-0.0806) USER MOD Single : A 433 MET CE :methyl -128:sc= 0 (180deg=-0.124) USER MOD Single : A 434 THR OG1 : rot 59:sc= 0.539 USER MOD Single : A 436 GLN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 464 GLN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 477 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.11 X(o=0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 20.769 -46.835 -13.385 1.00 25.00 N ATOM 114 CA GLU A 419 19.312 -46.784 -13.481 1.00 25.00 C ATOM 115 C GLU A 419 18.740 -45.459 -12.980 1.00 25.00 C ATOM 116 O GLU A 419 17.636 -45.095 -13.334 1.00 25.00 O ATOM 117 CB GLU A 419 18.739 -47.927 -12.646 1.00 25.00 C ATOM 118 CG GLU A 419 19.110 -49.317 -13.192 1.00 25.00 C ATOM 119 CD GLU A 419 19.094 -50.392 -12.117 1.00 25.00 C ATOM 120 OE1 GLU A 419 19.552 -51.515 -12.392 1.00 25.00 O ATOM 121 OE2 GLU A 419 18.653 -50.107 -10.985 1.00 25.00 O ATOM 0 HA GLU A 419 19.036 -46.878 -14.531 1.00 25.00 H new ATOM 0 HB2 GLU A 419 19.100 -47.837 -11.621 1.00 25.00 H new ATOM 0 HB3 GLU A 419 17.653 -47.835 -12.611 1.00 25.00 H new ATOM 0 HG2 GLU A 419 18.412 -49.590 -13.984 1.00 25.00 H new ATOM 0 HG3 GLU A 419 20.102 -49.273 -13.642 1.00 25.00 H new ATOM 128 N VAL A 420 19.502 -44.729 -12.173 1.00 25.00 N ATOM 129 CA VAL A 420 19.056 -43.435 -11.650 1.00 25.00 C ATOM 130 C VAL A 420 18.846 -42.465 -12.824 1.00 25.00 C ATOM 131 O VAL A 420 18.020 -41.556 -12.761 1.00 25.00 O ATOM 132 CB VAL A 420 20.078 -42.873 -10.598 1.00 25.00 C ATOM 133 CG1 VAL A 420 19.663 -41.483 -10.088 1.00 25.00 C ATOM 134 CG2 VAL A 420 20.180 -43.834 -9.405 1.00 25.00 C ATOM 0 H VAL A 420 20.433 -45.008 -11.864 1.00 25.00 H new ATOM 0 HA VAL A 420 18.107 -43.557 -11.127 1.00 25.00 H new ATOM 0 HB VAL A 420 21.044 -42.783 -11.095 1.00 25.00 H new ATOM 0 HG11 VAL A 420 20.395 -41.128 -9.362 1.00 25.00 H new ATOM 0 HG12 VAL A 420 19.616 -40.787 -10.926 1.00 25.00 H new ATOM 0 HG13 VAL A 420 18.684 -41.547 -9.614 1.00 25.00 H new ATOM 0 HG21 VAL A 420 20.890 -43.439 -8.679 1.00 25.00 H new ATOM 0 HG22 VAL A 420 19.201 -43.937 -8.936 1.00 25.00 H new ATOM 0 HG23 VAL A 420 20.521 -44.810 -9.752 1.00 25.00 H new ATOM 144 N SER A 421 19.575 -42.678 -13.910 1.00 25.00 N ATOM 145 CA SER A 421 19.421 -41.843 -15.099 1.00 25.00 C ATOM 146 C SER A 421 18.053 -42.043 -15.748 1.00 25.00 C ATOM 147 O SER A 421 17.412 -41.092 -16.185 1.00 25.00 O ATOM 148 CB SER A 421 20.490 -42.205 -16.123 1.00 25.00 C ATOM 149 OG SER A 421 21.764 -42.309 -15.508 1.00 25.00 O ATOM 0 H SER A 421 20.275 -43.415 -13.996 1.00 25.00 H new ATOM 0 HA SER A 421 19.519 -40.804 -14.786 1.00 25.00 H new ATOM 0 HB2 SER A 421 20.235 -43.150 -16.603 1.00 25.00 H new ATOM 0 HB3 SER A 421 20.520 -41.448 -16.906 1.00 25.00 H new ATOM 0 HG SER A 421 22.435 -42.544 -16.183 1.00 25.00 H new ATOM 155 N ASP A 422 17.621 -43.294 -15.810 1.00 25.00 N ATOM 156 CA ASP A 422 16.338 -43.647 -16.422 1.00 25.00 C ATOM 157 C ASP A 422 15.219 -43.270 -15.473 1.00 25.00 C ATOM 158 O ASP A 422 14.122 -42.903 -15.883 1.00 25.00 O ATOM 159 CB ASP A 422 16.300 -45.148 -16.714 1.00 25.00 C ATOM 160 CG ASP A 422 15.175 -45.529 -17.662 1.00 25.00 C ATOM 161 OD1 ASP A 422 14.576 -46.607 -17.469 1.00 25.00 O ATOM 162 OD2 ASP A 422 14.905 -44.760 -18.608 1.00 25.00 O ATOM 0 H ASP A 422 18.141 -44.091 -15.442 1.00 25.00 H new ATOM 0 HA ASP A 422 16.214 -43.107 -17.360 1.00 25.00 H new ATOM 0 HB2 ASP A 422 17.253 -45.455 -17.145 1.00 25.00 H new ATOM 0 HB3 ASP A 422 16.182 -45.694 -15.778 1.00 25.00 H new ATOM 167 N MET A 423 15.520 -43.340 -14.186 1.00 25.00 N ATOM 168 CA MET A 423 14.565 -42.964 -13.154 1.00 25.00 C ATOM 169 C MET A 423 14.183 -41.512 -13.335 1.00 25.00 C ATOM 170 O MET A 423 13.021 -41.168 -13.286 1.00 25.00 O ATOM 171 CB MET A 423 15.166 -43.158 -11.769 1.00 25.00 C ATOM 172 CG MET A 423 14.674 -44.396 -11.066 1.00 25.00 C ATOM 173 SD MET A 423 15.904 -45.074 -9.912 1.00 25.00 S ATOM 174 CE MET A 423 16.240 -43.661 -8.858 1.00 25.00 C ATOM 0 H MET A 423 16.422 -43.655 -13.829 1.00 25.00 H new ATOM 0 HA MET A 423 13.683 -43.598 -13.244 1.00 25.00 H new ATOM 0 HB2 MET A 423 16.251 -43.207 -11.857 1.00 25.00 H new ATOM 0 HB3 MET A 423 14.935 -42.286 -11.157 1.00 25.00 H new ATOM 0 HG2 MET A 423 13.759 -44.162 -10.521 1.00 25.00 H new ATOM 0 HG3 MET A 423 14.419 -45.154 -11.807 1.00 25.00 H new ATOM 0 HE1 MET A 423 16.896 -43.964 -8.042 1.00 25.00 H new ATOM 0 HE2 MET A 423 16.725 -42.879 -9.442 1.00 25.00 H new ATOM 0 HE3 MET A 423 15.304 -43.281 -8.450 1.00 25.00 H new ATOM 184 N ALA A 424 15.167 -40.656 -13.561 1.00 25.00 N ATOM 185 CA ALA A 424 14.893 -39.238 -13.726 1.00 25.00 C ATOM 186 C ALA A 424 14.010 -38.984 -14.961 1.00 25.00 C ATOM 187 O ALA A 424 13.195 -38.059 -14.979 1.00 25.00 O ATOM 188 CB ALA A 424 16.211 -38.466 -13.840 1.00 25.00 C ATOM 0 H ALA A 424 16.151 -40.914 -13.634 1.00 25.00 H new ATOM 0 HA ALA A 424 14.348 -38.886 -12.850 1.00 25.00 H new ATOM 0 HB1 ALA A 424 16.001 -37.404 -13.964 1.00 25.00 H new ATOM 0 HB2 ALA A 424 16.800 -38.617 -12.935 1.00 25.00 H new ATOM 0 HB3 ALA A 424 16.771 -38.828 -14.702 1.00 25.00 H new ATOM 194 N ALA A 425 14.178 -39.803 -15.991 1.00 25.00 N ATOM 195 CA ALA A 425 13.402 -39.652 -17.217 1.00 25.00 C ATOM 196 C ALA A 425 11.933 -40.033 -16.993 1.00 25.00 C ATOM 197 O ALA A 425 11.024 -39.310 -17.404 1.00 25.00 O ATOM 198 CB ALA A 425 14.012 -40.519 -18.329 1.00 25.00 C ATOM 0 H ALA A 425 14.842 -40.577 -16.003 1.00 25.00 H new ATOM 0 HA ALA A 425 13.435 -38.605 -17.517 1.00 25.00 H new ATOM 0 HB1 ALA A 425 13.429 -40.403 -19.242 1.00 25.00 H new ATOM 0 HB2 ALA A 425 15.040 -40.206 -18.512 1.00 25.00 H new ATOM 0 HB3 ALA A 425 14.001 -41.565 -18.022 1.00 25.00 H new ATOM 204 N VAL A 426 11.700 -41.171 -16.355 1.00 25.00 N ATOM 205 CA VAL A 426 10.336 -41.639 -16.111 1.00 25.00 C ATOM 206 C VAL A 426 9.647 -40.774 -15.066 1.00 25.00 C ATOM 207 O VAL A 426 8.458 -40.521 -15.152 1.00 25.00 O ATOM 208 CB VAL A 426 10.331 -43.146 -15.736 1.00 25.00 C ATOM 209 CG1 VAL A 426 11.006 -43.430 -14.407 1.00 25.00 C ATOM 210 CG2 VAL A 426 8.918 -43.701 -15.753 1.00 25.00 C ATOM 0 H VAL A 426 12.430 -41.787 -15.997 1.00 25.00 H new ATOM 0 HA VAL A 426 9.760 -41.540 -17.031 1.00 25.00 H new ATOM 0 HB VAL A 426 10.921 -43.656 -16.497 1.00 25.00 H new ATOM 0 HG11 VAL A 426 10.970 -44.500 -14.202 1.00 25.00 H new ATOM 0 HG12 VAL A 426 12.045 -43.104 -14.450 1.00 25.00 H new ATOM 0 HG13 VAL A 426 10.489 -42.891 -13.614 1.00 25.00 H new ATOM 0 HG21 VAL A 426 8.939 -44.758 -15.487 1.00 25.00 H new ATOM 0 HG22 VAL A 426 8.305 -43.158 -15.033 1.00 25.00 H new ATOM 0 HG23 VAL A 426 8.494 -43.586 -16.751 1.00 25.00 H new ATOM 220 N GLU A 427 10.404 -40.292 -14.099 1.00 25.00 N ATOM 221 CA GLU A 427 9.873 -39.372 -13.088 1.00 25.00 C ATOM 222 C GLU A 427 9.328 -38.120 -13.777 1.00 25.00 C ATOM 223 O GLU A 427 8.243 -37.640 -13.450 1.00 25.00 O ATOM 224 CB GLU A 427 10.968 -38.967 -12.097 1.00 25.00 C ATOM 225 CG GLU A 427 11.210 -39.983 -10.973 1.00 25.00 C ATOM 226 CD GLU A 427 12.443 -39.646 -10.126 1.00 25.00 C ATOM 227 OE1 GLU A 427 12.998 -38.531 -10.274 1.00 25.00 O ATOM 228 OE2 GLU A 427 12.851 -40.497 -9.300 1.00 25.00 O ATOM 0 H GLU A 427 11.392 -40.518 -13.984 1.00 25.00 H new ATOM 0 HA GLU A 427 9.075 -39.876 -12.543 1.00 25.00 H new ATOM 0 HB2 GLU A 427 11.899 -38.819 -12.643 1.00 25.00 H new ATOM 0 HB3 GLU A 427 10.703 -38.008 -11.653 1.00 25.00 H new ATOM 0 HG2 GLU A 427 10.332 -40.022 -10.329 1.00 25.00 H new ATOM 0 HG3 GLU A 427 11.332 -40.976 -11.406 1.00 25.00 H new ATOM 235 N ALA A 428 10.071 -37.596 -14.744 1.00 25.00 N ATOM 236 CA ALA A 428 9.626 -36.420 -15.485 1.00 25.00 C ATOM 237 C ALA A 428 8.361 -36.743 -16.293 1.00 25.00 C ATOM 238 O ALA A 428 7.463 -35.906 -16.424 1.00 25.00 O ATOM 239 CB ALA A 428 10.747 -35.931 -16.411 1.00 25.00 C ATOM 0 H ALA A 428 10.978 -37.963 -15.033 1.00 25.00 H new ATOM 0 HA ALA A 428 9.385 -35.627 -14.777 1.00 25.00 H new ATOM 0 HB1 ALA A 428 10.408 -35.053 -16.961 1.00 25.00 H new ATOM 0 HB2 ALA A 428 11.623 -35.671 -15.816 1.00 25.00 H new ATOM 0 HB3 ALA A 428 11.008 -36.721 -17.115 1.00 25.00 H new ATOM 245 N ALA A 429 8.291 -37.957 -16.820 1.00 25.00 N ATOM 246 CA ALA A 429 7.129 -38.388 -17.585 1.00 25.00 C ATOM 247 C ALA A 429 5.898 -38.495 -16.676 1.00 25.00 C ATOM 248 O ALA A 429 4.819 -38.072 -17.056 1.00 25.00 O ATOM 249 CB ALA A 429 7.415 -39.731 -18.272 1.00 25.00 C ATOM 0 H ALA A 429 9.024 -38.661 -16.732 1.00 25.00 H new ATOM 0 HA ALA A 429 6.921 -37.644 -18.354 1.00 25.00 H new ATOM 0 HB1 ALA A 429 6.539 -40.043 -18.841 1.00 25.00 H new ATOM 0 HB2 ALA A 429 8.265 -39.621 -18.946 1.00 25.00 H new ATOM 0 HB3 ALA A 429 7.645 -40.484 -17.518 1.00 25.00 H new ATOM 255 N GLU A 430 6.059 -39.046 -15.481 1.00 25.00 N ATOM 256 CA GLU A 430 4.944 -39.182 -14.533 1.00 25.00 C ATOM 257 C GLU A 430 4.423 -37.808 -14.148 1.00 25.00 C ATOM 258 O GLU A 430 3.212 -37.575 -14.054 1.00 25.00 O ATOM 259 CB GLU A 430 5.401 -39.902 -13.262 1.00 25.00 C ATOM 260 CG GLU A 430 5.780 -41.348 -13.483 1.00 25.00 C ATOM 261 CD GLU A 430 4.777 -42.313 -12.862 1.00 25.00 C ATOM 262 OE1 GLU A 430 4.098 -43.039 -13.621 1.00 25.00 O ATOM 263 OE2 GLU A 430 4.659 -42.338 -11.616 1.00 25.00 O ATOM 0 H GLU A 430 6.949 -39.409 -15.138 1.00 25.00 H new ATOM 0 HA GLU A 430 4.158 -39.762 -15.016 1.00 25.00 H new ATOM 0 HB2 GLU A 430 6.256 -39.372 -12.843 1.00 25.00 H new ATOM 0 HB3 GLU A 430 4.602 -39.854 -12.522 1.00 25.00 H new ATOM 0 HG2 GLU A 430 5.852 -41.542 -14.553 1.00 25.00 H new ATOM 0 HG3 GLU A 430 6.767 -41.531 -13.058 1.00 25.00 H new ATOM 270 N LEU A 431 5.348 -36.886 -13.939 1.00 25.00 N ATOM 271 CA LEU A 431 4.987 -35.514 -13.593 1.00 25.00 C ATOM 272 C LEU A 431 4.161 -34.882 -14.708 1.00 25.00 C ATOM 273 O LEU A 431 3.185 -34.180 -14.441 1.00 25.00 O ATOM 274 CB LEU A 431 6.241 -34.674 -13.328 1.00 25.00 C ATOM 275 CG LEU A 431 6.938 -34.927 -11.980 1.00 25.00 C ATOM 276 CD1 LEU A 431 8.308 -34.254 -11.980 1.00 25.00 C ATOM 277 CD2 LEU A 431 6.101 -34.397 -10.808 1.00 25.00 C ATOM 0 H LEU A 431 6.351 -37.058 -14.002 1.00 25.00 H new ATOM 0 HA LEU A 431 4.388 -35.540 -12.683 1.00 25.00 H new ATOM 0 HB2 LEU A 431 6.957 -34.861 -14.128 1.00 25.00 H new ATOM 0 HB3 LEU A 431 5.969 -33.620 -13.384 1.00 25.00 H new ATOM 0 HG LEU A 431 7.052 -36.003 -11.853 1.00 25.00 H new ATOM 0 HD11 LEU A 431 8.802 -34.433 -11.025 1.00 25.00 H new ATOM 0 HD12 LEU A 431 8.916 -34.666 -12.786 1.00 25.00 H new ATOM 0 HD13 LEU A 431 8.186 -33.181 -12.130 1.00 25.00 H new ATOM 0 HD21 LEU A 431 6.622 -34.592 -9.871 1.00 25.00 H new ATOM 0 HD22 LEU A 431 5.952 -33.323 -10.924 1.00 25.00 H new ATOM 0 HD23 LEU A 431 5.133 -34.898 -10.796 1.00 25.00 H new ATOM 289 N GLU A 432 4.520 -35.126 -15.961 1.00 25.00 N ATOM 290 CA GLU A 432 3.735 -34.569 -17.059 1.00 25.00 C ATOM 291 C GLU A 432 2.398 -35.322 -17.201 1.00 25.00 C ATOM 292 O GLU A 432 1.372 -34.724 -17.539 1.00 25.00 O ATOM 293 CB GLU A 432 4.548 -34.502 -18.375 1.00 25.00 C ATOM 294 CG GLU A 432 4.482 -35.707 -19.335 1.00 25.00 C ATOM 295 CD GLU A 432 4.599 -35.272 -20.794 1.00 25.00 C ATOM 296 OE1 GLU A 432 3.657 -34.596 -21.288 1.00 25.00 O ATOM 297 OE2 GLU A 432 5.611 -35.583 -21.447 1.00 25.00 O ATOM 0 H GLU A 432 5.324 -35.688 -16.240 1.00 25.00 H new ATOM 0 HA GLU A 432 3.491 -33.534 -16.821 1.00 25.00 H new ATOM 0 HB2 GLU A 432 4.219 -33.620 -18.925 1.00 25.00 H new ATOM 0 HB3 GLU A 432 5.594 -34.342 -18.112 1.00 25.00 H new ATOM 0 HG2 GLU A 432 5.284 -36.406 -19.098 1.00 25.00 H new ATOM 0 HG3 GLU A 432 3.542 -36.239 -19.188 1.00 25.00 H new ATOM 304 N MET A 433 2.401 -36.619 -16.916 1.00 25.00 N ATOM 305 CA MET A 433 1.193 -37.445 -17.000 1.00 25.00 C ATOM 306 C MET A 433 0.146 -36.973 -16.005 1.00 25.00 C ATOM 307 O MET A 433 -1.057 -37.095 -16.247 1.00 25.00 O ATOM 308 CB MET A 433 1.520 -38.914 -16.712 1.00 25.00 C ATOM 309 CG MET A 433 0.938 -39.877 -17.733 1.00 25.00 C ATOM 310 SD MET A 433 1.641 -39.631 -19.387 1.00 25.00 S ATOM 311 CE MET A 433 3.299 -40.388 -19.205 1.00 25.00 C ATOM 0 H MET A 433 3.234 -37.129 -16.621 1.00 25.00 H new ATOM 0 HA MET A 433 0.801 -37.350 -18.013 1.00 25.00 H new ATOM 0 HB2 MET A 433 2.603 -39.038 -16.684 1.00 25.00 H new ATOM 0 HB3 MET A 433 1.143 -39.174 -15.723 1.00 25.00 H new ATOM 0 HG2 MET A 433 1.123 -40.901 -17.410 1.00 25.00 H new ATOM 0 HG3 MET A 433 -0.143 -39.747 -17.777 1.00 25.00 H new ATOM 0 HE1 MET A 433 4.060 -39.682 -19.537 1.00 25.00 H new ATOM 0 HE2 MET A 433 3.471 -40.641 -18.159 1.00 25.00 H new ATOM 0 HE3 MET A 433 3.354 -41.292 -19.811 1.00 25.00 H new ATOM 321 N THR A 434 0.610 -36.423 -14.893 1.00 25.00 N ATOM 322 CA THR A 434 -0.268 -35.938 -13.829 1.00 25.00 C ATOM 323 C THR A 434 -1.335 -34.964 -14.349 1.00 25.00 C ATOM 324 O THR A 434 -2.476 -34.994 -13.896 1.00 25.00 O ATOM 325 CB THR A 434 0.554 -35.256 -12.702 1.00 25.00 C ATOM 326 OG1 THR A 434 1.540 -36.168 -12.208 1.00 25.00 O ATOM 327 CG2 THR A 434 -0.329 -34.865 -11.523 1.00 25.00 C ATOM 0 H THR A 434 1.604 -36.299 -14.699 1.00 25.00 H new ATOM 0 HA THR A 434 -0.781 -36.812 -13.428 1.00 25.00 H new ATOM 0 HB THR A 434 1.011 -34.364 -13.130 1.00 25.00 H new ATOM 0 HG1 THR A 434 2.127 -36.444 -12.942 1.00 25.00 H new ATOM 0 HG21 THR A 434 0.280 -34.391 -10.754 1.00 25.00 H new ATOM 0 HG22 THR A 434 -1.097 -34.168 -11.859 1.00 25.00 H new ATOM 0 HG23 THR A 434 -0.803 -35.756 -11.112 1.00 25.00 H new ATOM 335 N ARG A 435 -0.998 -34.109 -15.309 1.00 25.00 N ATOM 336 CA ARG A 435 -1.992 -33.141 -15.802 1.00 25.00 C ATOM 337 C ARG A 435 -3.152 -33.845 -16.510 1.00 25.00 C ATOM 338 O ARG A 435 -4.281 -33.375 -16.479 1.00 25.00 O ATOM 339 CB ARG A 435 -1.353 -32.084 -16.732 1.00 25.00 C ATOM 340 CG ARG A 435 -1.136 -32.540 -18.184 1.00 25.00 C ATOM 341 CD ARG A 435 -0.416 -31.498 -19.027 1.00 25.00 C ATOM 342 NE ARG A 435 -0.147 -32.018 -20.384 1.00 25.00 N ATOM 343 CZ ARG A 435 0.931 -32.716 -20.734 1.00 25.00 C ATOM 344 NH1 ARG A 435 1.877 -32.994 -19.894 1.00 25.00 N ATOM 345 NH2 ARG A 435 1.066 -33.151 -21.952 1.00 25.00 N ATOM 0 H ARG A 435 -0.081 -34.059 -15.753 1.00 25.00 H new ATOM 0 HA ARG A 435 -2.388 -32.622 -14.929 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -1.986 -31.197 -16.737 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -0.391 -31.787 -16.313 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -0.560 -33.465 -18.187 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -2.101 -32.764 -18.638 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -1.022 -30.594 -19.092 1.00 25.00 H new ATOM 0 HD3 ARG A 435 0.522 -31.219 -18.547 1.00 25.00 H new ATOM 0 HE ARG A 435 -0.840 -31.827 -21.108 1.00 25.00 H new ATOM 0 HH11 ARG A 435 1.811 -32.675 -18.927 1.00 25.00 H new ATOM 0 HH12 ARG A 435 2.688 -33.532 -20.199 1.00 25.00 H new ATOM 0 HH21 ARG A 435 0.343 -32.958 -22.646 1.00 25.00 H new ATOM 0 HH22 ARG A 435 1.894 -33.685 -22.214 1.00 25.00 H new ATOM 359 N GLN A 436 -2.857 -34.955 -17.169 1.00 25.00 N ATOM 360 CA GLN A 436 -3.865 -35.706 -17.908 1.00 25.00 C ATOM 361 C GLN A 436 -4.798 -36.523 -17.013 1.00 25.00 C ATOM 362 O GLN A 436 -6.014 -36.485 -17.177 1.00 25.00 O ATOM 363 CB GLN A 436 -3.195 -36.582 -18.963 1.00 25.00 C ATOM 364 CG GLN A 436 -2.739 -35.746 -20.166 1.00 25.00 C ATOM 365 CD GLN A 436 -1.418 -36.182 -20.743 1.00 25.00 C ATOM 366 OE1 GLN A 436 -1.335 -36.562 -21.894 1.00 25.00 O ATOM 367 NE2 GLN A 436 -0.379 -36.108 -19.958 1.00 25.00 N ATOM 0 H GLN A 436 -1.921 -35.359 -17.208 1.00 25.00 H new ATOM 0 HA GLN A 436 -4.506 -34.975 -18.402 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -2.337 -37.093 -18.525 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -3.890 -37.353 -19.295 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -3.500 -35.800 -20.944 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -2.666 -34.701 -19.864 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -0.488 -35.784 -18.997 1.00 25.00 H new ATOM 0 HE22 GLN A 436 0.542 -36.374 -20.305 1.00 25.00 H new ATOM 376 N VAL A 437 -4.222 -37.269 -16.079 1.00 25.00 N ATOM 377 CA VAL A 437 -4.998 -38.188 -15.233 1.00 25.00 C ATOM 378 C VAL A 437 -6.029 -37.525 -14.328 1.00 25.00 C ATOM 379 O VAL A 437 -7.054 -38.109 -14.016 1.00 25.00 O ATOM 380 CB VAL A 437 -4.073 -39.055 -14.343 1.00 25.00 C ATOM 381 CG1 VAL A 437 -3.260 -40.029 -15.212 1.00 25.00 C ATOM 382 CG2 VAL A 437 -3.123 -38.212 -13.504 1.00 25.00 C ATOM 0 H VAL A 437 -3.221 -37.261 -15.883 1.00 25.00 H new ATOM 0 HA VAL A 437 -5.543 -38.797 -15.955 1.00 25.00 H new ATOM 0 HB VAL A 437 -4.717 -39.611 -13.661 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -2.614 -40.633 -14.575 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -3.940 -40.681 -15.761 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -2.650 -39.465 -15.917 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -2.496 -38.865 -12.898 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -2.493 -37.611 -14.160 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -3.699 -37.555 -12.852 1.00 25.00 H new ATOM 392 N LEU A 438 -5.759 -36.298 -13.922 1.00 25.00 N ATOM 393 CA LEU A 438 -6.671 -35.539 -13.058 1.00 25.00 C ATOM 394 C LEU A 438 -8.018 -35.220 -13.723 1.00 25.00 C ATOM 395 O LEU A 438 -8.955 -34.776 -13.058 1.00 25.00 O ATOM 396 CB LEU A 438 -5.996 -34.234 -12.619 1.00 25.00 C ATOM 397 CG LEU A 438 -4.837 -34.389 -11.617 1.00 25.00 C ATOM 398 CD1 LEU A 438 -4.117 -33.051 -11.463 1.00 25.00 C ATOM 399 CD2 LEU A 438 -5.330 -34.872 -10.248 1.00 25.00 C ATOM 0 H LEU A 438 -4.909 -35.794 -14.175 1.00 25.00 H new ATOM 0 HA LEU A 438 -6.887 -36.173 -12.198 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -5.620 -33.724 -13.506 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -6.752 -33.586 -12.175 1.00 25.00 H new ATOM 0 HG LEU A 438 -4.152 -35.141 -12.007 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -3.296 -33.159 -10.754 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -3.723 -32.737 -12.429 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -4.817 -32.301 -11.096 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -4.482 -34.969 -9.569 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -6.040 -34.151 -9.842 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -5.819 -35.840 -10.358 1.00 25.00 H new ATOM 720 N ALA A 462 -19.584 -33.288 -45.309 1.00 25.00 N ATOM 721 CA ALA A 462 -18.467 -33.454 -44.392 1.00 25.00 C ATOM 722 C ALA A 462 -18.912 -34.282 -43.181 1.00 25.00 C ATOM 723 O ALA A 462 -18.237 -35.224 -42.779 1.00 25.00 O ATOM 724 CB ALA A 462 -17.925 -32.092 -43.948 1.00 25.00 C ATOM 0 HA ALA A 462 -17.663 -33.983 -44.905 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -17.090 -32.238 -43.263 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -17.585 -31.534 -44.820 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -18.714 -31.533 -43.445 1.00 25.00 H new ATOM 730 N LEU A 463 -20.048 -33.916 -42.597 1.00 25.00 N ATOM 731 CA LEU A 463 -20.517 -34.567 -41.377 1.00 25.00 C ATOM 732 C LEU A 463 -20.882 -36.016 -41.615 1.00 25.00 C ATOM 733 O LEU A 463 -20.654 -36.846 -40.757 1.00 25.00 O ATOM 734 CB LEU A 463 -21.677 -33.786 -40.736 1.00 25.00 C ATOM 735 CG LEU A 463 -23.146 -34.154 -41.029 1.00 25.00 C ATOM 736 CD1 LEU A 463 -23.681 -35.314 -40.170 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.982 -32.937 -40.756 1.00 25.00 C ATOM 0 H LEU A 463 -20.658 -33.177 -42.945 1.00 25.00 H new ATOM 0 HA LEU A 463 -19.688 -34.562 -40.669 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -21.543 -33.847 -39.656 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -21.549 -32.740 -41.015 1.00 25.00 H new ATOM 0 HG LEU A 463 -23.200 -34.484 -42.067 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -24.720 -35.514 -40.434 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -23.083 -36.207 -40.351 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -23.620 -35.044 -39.116 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -25.030 -33.163 -40.954 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.865 -32.642 -39.713 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -23.659 -32.121 -41.402 1.00 25.00 H new ATOM 749 N GLN A 464 -21.431 -36.338 -42.776 1.00 25.00 N ATOM 750 CA GLN A 464 -21.782 -37.732 -43.054 1.00 25.00 C ATOM 751 C GLN A 464 -20.547 -38.643 -43.011 1.00 25.00 C ATOM 752 O GLN A 464 -20.650 -39.819 -42.684 1.00 25.00 O ATOM 753 CB GLN A 464 -22.560 -37.862 -44.364 1.00 25.00 C ATOM 754 CG GLN A 464 -21.749 -37.871 -45.653 1.00 25.00 C ATOM 755 CD GLN A 464 -22.594 -38.265 -46.845 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.752 -37.512 -47.801 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.148 -39.445 -46.789 1.00 25.00 N ATOM 0 H GLN A 464 -21.641 -35.678 -43.525 1.00 25.00 H new ATOM 0 HA GLN A 464 -22.447 -38.072 -42.260 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -23.141 -38.784 -44.323 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -23.272 -37.039 -44.418 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -21.322 -36.882 -45.821 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -20.915 -38.566 -45.553 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -22.993 -40.043 -45.977 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -23.736 -39.769 -47.557 1.00 25.00 H new ATOM 766 N GLY A 465 -19.381 -38.084 -43.307 1.00 25.00 N ATOM 767 CA GLY A 465 -18.144 -38.829 -43.186 1.00 25.00 C ATOM 768 C GLY A 465 -17.673 -38.757 -41.748 1.00 25.00 C ATOM 769 O GLY A 465 -17.221 -39.746 -41.196 1.00 25.00 O ATOM 0 H GLY A 465 -19.270 -37.123 -43.630 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -18.297 -39.867 -43.482 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -17.387 -38.416 -43.853 1.00 25.00 H new ATOM 773 N ALA A 466 -17.798 -37.583 -41.138 1.00 25.00 N ATOM 774 CA ALA A 466 -17.367 -37.361 -39.754 1.00 25.00 C ATOM 775 C ALA A 466 -18.011 -38.356 -38.785 1.00 25.00 C ATOM 776 O ALA A 466 -17.373 -38.837 -37.870 1.00 25.00 O ATOM 777 CB ALA A 466 -17.696 -35.933 -39.323 1.00 25.00 C ATOM 0 H ALA A 466 -18.199 -36.758 -41.584 1.00 25.00 H new ATOM 0 HA ALA A 466 -16.289 -37.516 -39.721 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -17.371 -35.780 -38.294 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -17.180 -35.228 -39.975 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.772 -35.771 -39.392 1.00 25.00 H new ATOM 783 N GLN A 467 -19.273 -38.665 -39.002 1.00 25.00 N ATOM 784 CA GLN A 467 -19.985 -39.624 -38.164 1.00 25.00 C ATOM 785 C GLN A 467 -19.387 -41.026 -38.290 1.00 25.00 C ATOM 786 O GLN A 467 -19.192 -41.726 -37.300 1.00 25.00 O ATOM 787 CB GLN A 467 -21.428 -39.683 -38.627 1.00 25.00 C ATOM 788 CG GLN A 467 -22.232 -38.403 -38.369 1.00 25.00 C ATOM 789 CD GLN A 467 -22.509 -38.146 -36.906 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.923 -39.026 -36.178 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.285 -36.929 -36.479 1.00 25.00 N ATOM 0 H GLN A 467 -19.834 -38.266 -39.755 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.907 -39.302 -37.126 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.445 -39.898 -39.695 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.923 -40.515 -38.126 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.688 -37.553 -38.782 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -23.180 -38.465 -38.904 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.937 -36.219 -37.123 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.458 -36.691 -35.502 1.00 25.00 H new ATOM 800 N ALA A 468 -19.107 -41.434 -39.521 1.00 25.00 N ATOM 801 CA ALA A 468 -18.577 -42.767 -39.777 1.00 25.00 C ATOM 802 C ALA A 468 -17.171 -42.904 -39.195 1.00 25.00 C ATOM 803 O ALA A 468 -16.839 -43.912 -38.572 1.00 25.00 O ATOM 804 CB ALA A 468 -18.564 -43.042 -41.289 1.00 25.00 C ATOM 0 H ALA A 468 -19.238 -40.863 -40.356 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.219 -43.502 -39.291 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -18.167 -44.040 -41.474 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.580 -42.978 -41.679 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.936 -42.304 -41.788 1.00 25.00 H new ATOM 810 N VAL A 469 -16.346 -41.887 -39.388 1.00 25.00 N ATOM 811 CA VAL A 469 -14.981 -41.937 -38.876 1.00 25.00 C ATOM 812 C VAL A 469 -14.979 -41.824 -37.359 1.00 25.00 C ATOM 813 O VAL A 469 -14.125 -42.394 -36.722 1.00 25.00 O ATOM 814 CB VAL A 469 -14.045 -40.854 -39.504 1.00 25.00 C ATOM 815 CG1 VAL A 469 -14.076 -40.949 -41.031 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.438 -39.459 -39.077 1.00 25.00 C ATOM 0 H VAL A 469 -16.589 -41.030 -39.886 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.576 -42.905 -39.171 1.00 25.00 H new ATOM 0 HB VAL A 469 -13.035 -41.047 -39.144 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -13.420 -40.189 -41.456 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.736 -41.937 -41.341 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -15.094 -40.788 -41.385 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.764 -38.735 -39.534 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.460 -39.255 -39.396 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.374 -39.379 -37.992 1.00 25.00 H new ATOM 826 N ALA A 470 -15.936 -41.109 -36.778 1.00 25.00 N ATOM 827 CA ALA A 470 -15.988 -40.938 -35.322 1.00 25.00 C ATOM 828 C ALA A 470 -16.078 -42.290 -34.618 1.00 25.00 C ATOM 829 O ALA A 470 -15.487 -42.480 -33.558 1.00 25.00 O ATOM 830 CB ALA A 470 -17.173 -40.053 -34.922 1.00 25.00 C ATOM 0 H ALA A 470 -16.685 -40.639 -37.286 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.066 -40.447 -35.009 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.193 -39.939 -33.838 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.069 -39.073 -35.388 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.102 -40.516 -35.255 1.00 25.00 H new ATOM 836 N ALA A 471 -16.801 -43.228 -35.212 1.00 25.00 N ATOM 837 CA ALA A 471 -16.907 -44.564 -34.642 1.00 25.00 C ATOM 838 C ALA A 471 -15.527 -45.234 -34.626 1.00 25.00 C ATOM 839 O ALA A 471 -15.197 -45.944 -33.693 1.00 25.00 O ATOM 840 CB ALA A 471 -17.907 -45.402 -35.446 1.00 25.00 C ATOM 0 H ALA A 471 -17.319 -43.092 -36.080 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.269 -44.489 -33.617 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.979 -46.399 -35.011 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.886 -44.924 -35.420 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.568 -45.480 -36.479 1.00 25.00 H new ATOM 846 N ALA A 472 -14.725 -44.987 -35.652 1.00 25.00 N ATOM 847 CA ALA A 472 -13.371 -45.535 -35.719 1.00 25.00 C ATOM 848 C ALA A 472 -12.433 -44.828 -34.727 1.00 25.00 C ATOM 849 O ALA A 472 -11.538 -45.446 -34.170 1.00 25.00 O ATOM 850 CB ALA A 472 -12.824 -45.423 -37.152 1.00 25.00 C ATOM 0 H ALA A 472 -14.986 -44.410 -36.452 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.417 -46.588 -35.440 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.815 -45.834 -37.190 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.468 -45.980 -37.832 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.800 -44.375 -37.451 1.00 25.00 H new ATOM 856 N GLN A 473 -12.644 -43.539 -34.511 1.00 25.00 N ATOM 857 CA GLN A 473 -11.814 -42.768 -33.590 1.00 25.00 C ATOM 858 C GLN A 473 -12.062 -43.192 -32.147 1.00 25.00 C ATOM 859 O GLN A 473 -11.137 -43.349 -31.368 1.00 25.00 O ATOM 860 CB GLN A 473 -12.100 -41.260 -33.711 1.00 25.00 C ATOM 861 CG GLN A 473 -11.921 -40.658 -35.109 1.00 25.00 C ATOM 862 CD GLN A 473 -10.491 -40.376 -35.498 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.565 -40.545 -34.731 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.316 -39.936 -36.719 1.00 25.00 N ATOM 0 H GLN A 473 -13.384 -43.001 -34.961 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.776 -42.964 -33.859 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.124 -41.076 -33.385 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.445 -40.728 -33.020 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.354 -41.340 -35.841 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.488 -39.729 -35.164 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -11.119 -39.807 -37.334 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.377 -39.723 -37.055 1.00 25.00 H new ATOM 873 N ARG A 474 -13.314 -43.398 -31.776 1.00 25.00 N ATOM 874 CA ARG A 474 -13.596 -43.858 -30.419 1.00 25.00 C ATOM 875 C ARG A 474 -13.178 -45.312 -30.268 1.00 25.00 C ATOM 876 O ARG A 474 -12.850 -45.773 -29.186 1.00 25.00 O ATOM 877 CB ARG A 474 -15.048 -43.628 -30.035 1.00 25.00 C ATOM 878 CG ARG A 474 -16.094 -44.397 -30.803 1.00 25.00 C ATOM 879 CD ARG A 474 -17.465 -43.742 -30.627 1.00 25.00 C ATOM 880 NE ARG A 474 -17.645 -43.180 -29.272 1.00 25.00 N ATOM 881 CZ ARG A 474 -18.693 -42.487 -28.844 1.00 25.00 C ATOM 882 NH1 ARG A 474 -19.731 -42.233 -29.603 1.00 25.00 N ATOM 883 NH2 ARG A 474 -18.676 -42.030 -27.630 1.00 25.00 N ATOM 0 H ARG A 474 -14.131 -43.261 -32.371 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.006 -43.265 -29.720 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.160 -43.869 -28.978 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.262 -42.565 -30.144 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -15.830 -44.428 -31.860 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.128 -45.429 -30.453 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -17.585 -42.950 -31.366 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.245 -44.478 -30.820 1.00 25.00 H new ATOM 0 HE ARG A 474 -16.893 -43.340 -28.602 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -19.755 -42.572 -30.565 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -20.515 -41.696 -29.232 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -17.870 -42.206 -27.030 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -19.468 -41.494 -27.276 1.00 25.00 H new ATOM 897 N LEU A 475 -13.171 -46.031 -31.375 1.00 25.00 N ATOM 898 CA LEU A 475 -12.702 -47.410 -31.384 1.00 25.00 C ATOM 899 C LEU A 475 -11.207 -47.423 -31.070 1.00 25.00 C ATOM 900 O LEU A 475 -10.769 -48.178 -30.212 1.00 25.00 O ATOM 901 CB LEU A 475 -12.984 -48.061 -32.749 1.00 25.00 C ATOM 902 CG LEU A 475 -11.923 -48.996 -33.352 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.809 -50.298 -32.542 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.262 -49.328 -34.791 1.00 25.00 C ATOM 0 H LEU A 475 -13.484 -45.685 -32.282 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.233 -47.987 -30.627 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.912 -48.627 -32.661 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.166 -47.261 -33.466 1.00 25.00 H new ATOM 0 HG LEU A 475 -10.966 -48.475 -33.317 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.051 -50.941 -32.991 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.525 -50.064 -31.516 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.770 -50.813 -32.544 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.500 -49.991 -35.201 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.233 -49.823 -34.831 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.298 -48.410 -35.377 1.00 25.00 H new ATOM 916 N VAL A 476 -10.417 -46.606 -31.757 1.00 25.00 N ATOM 917 CA VAL A 476 -8.970 -46.623 -31.540 1.00 25.00 C ATOM 918 C VAL A 476 -8.673 -46.179 -30.119 1.00 25.00 C ATOM 919 O VAL A 476 -7.761 -46.690 -29.463 1.00 25.00 O ATOM 920 CB VAL A 476 -8.196 -45.798 -32.607 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.584 -44.352 -32.639 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.682 -45.932 -32.396 1.00 25.00 C ATOM 0 H VAL A 476 -10.741 -45.936 -32.455 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.609 -47.644 -31.664 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.473 -46.217 -33.574 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.005 -43.837 -33.406 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.646 -44.265 -32.867 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.383 -43.900 -31.668 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.156 -45.348 -33.152 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.419 -45.563 -31.405 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.394 -46.980 -32.482 1.00 25.00 H new ATOM 932 N HIS A 477 -9.475 -45.248 -29.637 1.00 25.00 N ATOM 933 CA HIS A 477 -9.358 -44.755 -28.292 1.00 25.00 C ATOM 934 C HIS A 477 -9.585 -45.891 -27.299 1.00 25.00 C ATOM 935 O HIS A 477 -8.905 -45.971 -26.291 1.00 25.00 O ATOM 936 CB HIS A 477 -10.377 -43.641 -28.091 1.00 25.00 C ATOM 937 CG HIS A 477 -10.192 -42.887 -26.815 1.00 25.00 C ATOM 938 ND1 HIS A 477 -11.193 -42.228 -26.143 1.00 25.00 N ATOM 939 CD2 HIS A 477 -9.073 -42.689 -26.071 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.665 -41.688 -25.048 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.373 -41.934 -24.955 1.00 25.00 N ATOM 0 H HIS A 477 -10.226 -44.816 -30.175 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.357 -44.359 -28.122 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.312 -42.945 -28.928 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.379 -44.069 -28.109 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -8.092 -43.067 -26.317 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -11.226 -41.117 -24.323 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.734 -41.632 -24.219 1.00 25.00 H new ATOM 949 N ALA A 478 -10.521 -46.785 -27.592 1.00 25.00 N ATOM 950 CA ALA A 478 -10.810 -47.891 -26.691 1.00 25.00 C ATOM 951 C ALA A 478 -9.568 -48.761 -26.471 1.00 25.00 C ATOM 952 O ALA A 478 -9.265 -49.142 -25.345 1.00 25.00 O ATOM 953 CB ALA A 478 -11.964 -48.733 -27.240 1.00 25.00 C ATOM 0 H ALA A 478 -11.088 -46.766 -28.439 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.105 -47.477 -25.727 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.170 -49.557 -26.557 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.854 -48.111 -27.338 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.691 -49.131 -28.217 1.00 25.00 H new ATOM 959 N ILE A 479 -8.841 -49.071 -27.535 1.00 25.00 N ATOM 960 CA ILE A 479 -7.650 -49.914 -27.399 1.00 25.00 C ATOM 961 C ILE A 479 -6.546 -49.130 -26.718 1.00 25.00 C ATOM 962 O ILE A 479 -5.777 -49.690 -25.957 1.00 25.00 O ATOM 963 CB ILE A 479 -7.120 -50.421 -28.752 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.246 -51.083 -29.548 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.974 -51.445 -28.557 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.470 -50.385 -30.817 1.00 25.00 C ATOM 0 H ILE A 479 -9.044 -48.762 -28.486 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.945 -50.780 -26.806 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.736 -49.559 -29.298 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.995 -52.126 -29.741 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.163 -51.079 -28.960 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.620 -51.785 -29.530 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.153 -50.974 -28.017 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.341 -52.298 -27.986 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.275 -50.875 -31.364 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.744 -49.349 -30.619 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.558 -50.412 -31.413 1.00 25.00 H new ATOM 978 N ALA A 480 -6.481 -47.833 -26.975 1.00 25.00 N ATOM 979 CA ALA A 480 -5.463 -46.984 -26.367 1.00 25.00 C ATOM 980 C ALA A 480 -5.586 -47.055 -24.834 1.00 25.00 C ATOM 981 O ALA A 480 -4.603 -46.919 -24.101 1.00 25.00 O ATOM 982 CB ALA A 480 -5.624 -45.534 -26.876 1.00 25.00 C ATOM 0 H ALA A 480 -7.121 -47.343 -27.601 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.469 -47.333 -26.648 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.862 -44.902 -26.420 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.511 -45.514 -27.960 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.613 -45.162 -26.607 1.00 25.00 H new ATOM 988 N LEU A 481 -6.798 -47.286 -24.353 1.00 25.00 N ATOM 989 CA LEU A 481 -7.021 -47.431 -22.911 1.00 25.00 C ATOM 990 C LEU A 481 -6.554 -48.794 -22.466 1.00 25.00 C ATOM 991 O LEU A 481 -5.905 -48.946 -21.447 1.00 25.00 O ATOM 992 CB LEU A 481 -8.489 -47.251 -22.561 1.00 25.00 C ATOM 993 CG LEU A 481 -8.965 -45.873 -23.001 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.468 -45.899 -23.192 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.569 -44.780 -22.017 1.00 25.00 C ATOM 0 H LEU A 481 -7.637 -47.377 -24.926 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.453 -46.657 -22.395 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.085 -48.023 -23.048 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.632 -47.368 -21.487 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.476 -45.634 -23.945 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.812 -44.914 -23.507 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.725 -46.634 -23.955 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.950 -46.168 -22.252 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.932 -43.817 -22.377 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -9.008 -44.992 -21.042 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.483 -44.748 -21.927 1.00 25.00 H new ATOM 1007 N MET A 482 -6.881 -49.802 -23.249 1.00 25.00 N ATOM 1008 CA MET A 482 -6.497 -51.168 -22.917 1.00 25.00 C ATOM 1009 C MET A 482 -5.009 -51.344 -22.886 1.00 25.00 C ATOM 1010 O MET A 482 -4.504 -52.243 -22.212 1.00 25.00 O ATOM 1011 CB MET A 482 -7.066 -52.143 -23.932 1.00 25.00 C ATOM 1012 CG MET A 482 -8.521 -52.064 -23.950 1.00 25.00 C ATOM 1013 SD MET A 482 -9.310 -53.586 -24.511 1.00 25.00 S ATOM 1014 CE MET A 482 -9.138 -53.408 -26.295 1.00 25.00 C ATOM 0 H MET A 482 -7.409 -49.707 -24.116 1.00 25.00 H new ATOM 0 HA MET A 482 -6.899 -51.369 -21.924 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.671 -51.919 -24.923 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.753 -53.158 -23.686 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.878 -51.826 -22.948 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.826 -51.244 -24.600 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.579 -54.273 -26.791 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.650 -52.503 -26.621 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.081 -53.341 -26.554 1.00 25.00 H new ATOM 1024 N THR A 483 -4.302 -50.502 -23.616 1.00 25.00 N ATOM 1025 CA THR A 483 -2.855 -50.646 -23.690 1.00 25.00 C ATOM 1026 C THR A 483 -2.201 -49.993 -22.490 1.00 25.00 C ATOM 1027 O THR A 483 -1.201 -50.494 -21.996 1.00 25.00 O ATOM 1028 CB THR A 483 -2.301 -50.100 -25.012 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.788 -48.778 -25.235 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.773 -50.979 -26.167 1.00 25.00 C ATOM 0 H THR A 483 -4.691 -49.728 -24.155 1.00 25.00 H new ATOM 0 HA THR A 483 -2.614 -51.709 -23.667 1.00 25.00 H new ATOM 0 HB THR A 483 -1.212 -50.095 -24.957 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.429 -48.435 -26.080 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.378 -50.590 -27.105 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.416 -51.998 -26.018 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.862 -50.978 -26.203 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.769 -48.900 -21.994 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.226 -48.273 -20.789 1.00 25.00 C ATOM 1040 C GLN A 484 -2.696 -49.015 -19.535 1.00 25.00 C ATOM 1041 O GLN A 484 -1.988 -49.052 -18.540 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.559 -46.772 -20.728 1.00 25.00 C ATOM 1043 CG GLN A 484 -4.033 -46.434 -20.630 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.291 -44.954 -20.759 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.243 -44.220 -19.792 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.570 -44.513 -21.958 1.00 25.00 N ATOM 0 H GLN A 484 -3.585 -48.437 -22.393 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.139 -48.349 -20.832 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -2.047 -46.339 -19.869 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.152 -46.291 -21.618 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.578 -46.965 -21.411 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.421 -46.786 -19.674 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.601 -45.161 -22.745 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.757 -43.521 -22.106 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.875 -49.629 -19.575 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.347 -50.397 -18.454 1.00 25.00 C ATOM 1057 C PHE A 485 -3.662 -51.756 -18.409 1.00 25.00 C ATOM 1058 O PHE A 485 -3.499 -52.348 -17.343 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.851 -50.595 -18.585 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.664 -49.437 -18.073 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.477 -48.964 -16.759 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.627 -48.818 -18.890 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.237 -47.873 -16.267 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -8.390 -47.723 -18.411 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.192 -47.251 -17.098 1.00 25.00 C ATOM 0 H PHE A 485 -4.510 -49.603 -20.373 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.116 -49.859 -17.534 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.096 -50.763 -19.634 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.138 -51.496 -18.043 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -5.747 -49.438 -16.120 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -7.787 -49.181 -19.894 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.085 -47.519 -15.258 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -9.121 -47.252 -19.051 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.769 -46.416 -16.729 1.00 25.00 H new