USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 330 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 423 MET CE :methyl -145:sc= -0.0807 (180deg=-0.316) USER MOD Single : A 433 MET CE :methyl -154:sc= 0 (180deg=-1.09) USER MOD Single : A 434 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 436 GLN : amide:sc= -0.0367 X(o=-0.037,f=-0.53) USER MOD Single : A 464 GLN : amide:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 477 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 482 MET CE :methyl 176:sc= -0.0198 (180deg=-0.0546) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.00308 USER MOD Single : A 484 GLN : amide:sc= 0.394 X(o=0.39,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -48.137 -0.914 -58.396 1.00 25.00 N ATOM 114 CA GLU A 419 -48.429 -2.328 -58.162 1.00 25.00 C ATOM 115 C GLU A 419 -47.128 -3.109 -58.067 1.00 25.00 C ATOM 116 O GLU A 419 -47.010 -4.021 -57.282 1.00 25.00 O ATOM 117 CB GLU A 419 -49.267 -2.916 -59.306 1.00 25.00 C ATOM 118 CG GLU A 419 -50.483 -2.093 -59.715 1.00 25.00 C ATOM 119 CD GLU A 419 -51.539 -1.964 -58.634 1.00 25.00 C ATOM 120 OE1 GLU A 419 -51.964 -2.988 -58.069 1.00 25.00 O ATOM 121 OE2 GLU A 419 -51.957 -0.813 -58.372 1.00 25.00 O ATOM 0 HA GLU A 419 -48.992 -2.405 -57.232 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -48.624 -3.041 -60.177 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -49.604 -3.910 -59.013 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -50.152 -1.096 -60.005 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -50.935 -2.547 -60.597 1.00 25.00 H new ATOM 128 N VAL A 420 -46.141 -2.736 -58.873 1.00 25.00 N ATOM 129 CA VAL A 420 -44.835 -3.409 -58.857 1.00 25.00 C ATOM 130 C VAL A 420 -44.088 -3.086 -57.562 1.00 25.00 C ATOM 131 O VAL A 420 -43.366 -3.920 -57.022 1.00 25.00 O ATOM 132 CB VAL A 420 -43.979 -2.994 -60.095 1.00 25.00 C ATOM 133 CG1 VAL A 420 -42.588 -3.650 -60.066 1.00 25.00 C ATOM 134 CG2 VAL A 420 -44.696 -3.406 -61.383 1.00 25.00 C ATOM 0 H VAL A 420 -46.214 -1.974 -59.547 1.00 25.00 H new ATOM 0 HA VAL A 420 -45.005 -4.485 -58.906 1.00 25.00 H new ATOM 0 HB VAL A 420 -43.852 -1.912 -60.062 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -42.020 -3.338 -60.943 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -42.060 -3.343 -59.164 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -42.697 -4.735 -60.071 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -44.094 -3.114 -62.244 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -44.839 -4.487 -61.390 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -45.666 -2.911 -61.434 1.00 25.00 H new ATOM 144 N SER A 421 -44.273 -1.883 -57.049 1.00 25.00 N ATOM 145 CA SER A 421 -43.620 -1.496 -55.802 1.00 25.00 C ATOM 146 C SER A 421 -44.197 -2.319 -54.654 1.00 25.00 C ATOM 147 O SER A 421 -43.471 -2.759 -53.766 1.00 25.00 O ATOM 148 CB SER A 421 -43.828 -0.009 -55.531 1.00 25.00 C ATOM 149 OG SER A 421 -43.326 0.770 -56.610 1.00 25.00 O ATOM 0 H SER A 421 -44.861 -1.162 -57.467 1.00 25.00 H new ATOM 0 HA SER A 421 -42.550 -1.685 -55.886 1.00 25.00 H new ATOM 0 HB2 SER A 421 -44.889 0.196 -55.390 1.00 25.00 H new ATOM 0 HB3 SER A 421 -43.324 0.272 -54.607 1.00 25.00 H new ATOM 0 HG SER A 421 -43.469 1.721 -56.421 1.00 25.00 H new ATOM 155 N ASP A 422 -45.503 -2.533 -54.687 1.00 25.00 N ATOM 156 CA ASP A 422 -46.177 -3.328 -53.665 1.00 25.00 C ATOM 157 C ASP A 422 -45.887 -4.815 -53.876 1.00 25.00 C ATOM 158 O ASP A 422 -45.846 -5.589 -52.927 1.00 25.00 O ATOM 159 CB ASP A 422 -47.686 -3.071 -53.709 1.00 25.00 C ATOM 160 CG ASP A 422 -48.051 -1.656 -53.272 1.00 25.00 C ATOM 161 OD1 ASP A 422 -48.956 -1.051 -53.888 1.00 25.00 O ATOM 162 OD2 ASP A 422 -47.439 -1.150 -52.303 1.00 25.00 O ATOM 0 H ASP A 422 -46.121 -2.167 -55.411 1.00 25.00 H new ATOM 0 HA ASP A 422 -45.799 -3.035 -52.685 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -48.051 -3.240 -54.722 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -48.192 -3.789 -53.064 1.00 25.00 H new ATOM 167 N MET A 423 -45.668 -5.210 -55.122 1.00 25.00 N ATOM 168 CA MET A 423 -45.353 -6.601 -55.470 1.00 25.00 C ATOM 169 C MET A 423 -44.069 -7.030 -54.777 1.00 25.00 C ATOM 170 O MET A 423 -43.955 -8.147 -54.298 1.00 25.00 O ATOM 171 CB MET A 423 -45.183 -6.731 -56.991 1.00 25.00 C ATOM 172 CG MET A 423 -45.109 -8.148 -57.531 1.00 25.00 C ATOM 173 SD MET A 423 -44.668 -8.138 -59.308 1.00 25.00 S ATOM 174 CE MET A 423 -46.063 -7.247 -60.091 1.00 25.00 C ATOM 0 H MET A 423 -45.702 -4.581 -55.924 1.00 25.00 H new ATOM 0 HA MET A 423 -46.171 -7.242 -55.141 1.00 25.00 H new ATOM 0 HB2 MET A 423 -46.016 -6.221 -57.475 1.00 25.00 H new ATOM 0 HB3 MET A 423 -44.274 -6.204 -57.282 1.00 25.00 H new ATOM 0 HG2 MET A 423 -44.369 -8.718 -56.970 1.00 25.00 H new ATOM 0 HG3 MET A 423 -46.068 -8.647 -57.392 1.00 25.00 H new ATOM 0 HE1 MET A 423 -46.262 -7.675 -61.074 1.00 25.00 H new ATOM 0 HE2 MET A 423 -46.952 -7.342 -59.467 1.00 25.00 H new ATOM 0 HE3 MET A 423 -45.807 -6.193 -60.199 1.00 25.00 H new ATOM 184 N ALA A 424 -43.106 -6.122 -54.708 1.00 25.00 N ATOM 185 CA ALA A 424 -41.830 -6.409 -54.059 1.00 25.00 C ATOM 186 C ALA A 424 -42.035 -6.699 -52.563 1.00 25.00 C ATOM 187 O ALA A 424 -41.299 -7.480 -51.962 1.00 25.00 O ATOM 188 CB ALA A 424 -40.878 -5.226 -54.252 1.00 25.00 C ATOM 0 H ALA A 424 -43.182 -5.180 -55.092 1.00 25.00 H new ATOM 0 HA ALA A 424 -41.392 -7.296 -54.516 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -39.926 -5.442 -53.767 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -40.713 -5.061 -55.317 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -41.316 -4.331 -53.810 1.00 25.00 H new ATOM 194 N ALA A 425 -43.042 -6.075 -51.967 1.00 25.00 N ATOM 195 CA ALA A 425 -43.345 -6.311 -50.560 1.00 25.00 C ATOM 196 C ALA A 425 -43.966 -7.703 -50.395 1.00 25.00 C ATOM 197 O ALA A 425 -43.719 -8.378 -49.401 1.00 25.00 O ATOM 198 CB ALA A 425 -44.291 -5.224 -50.027 1.00 25.00 C ATOM 0 H ALA A 425 -43.659 -5.407 -52.430 1.00 25.00 H new ATOM 0 HA ALA A 425 -42.422 -6.267 -49.981 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -44.508 -5.414 -48.976 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -43.818 -4.248 -50.129 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -45.220 -5.238 -50.597 1.00 25.00 H new ATOM 204 N VAL A 426 -44.755 -8.131 -51.373 1.00 25.00 N ATOM 205 CA VAL A 426 -45.369 -9.462 -51.342 1.00 25.00 C ATOM 206 C VAL A 426 -44.273 -10.516 -51.488 1.00 25.00 C ATOM 207 O VAL A 426 -44.267 -11.513 -50.767 1.00 25.00 O ATOM 208 CB VAL A 426 -46.420 -9.639 -52.484 1.00 25.00 C ATOM 209 CG1 VAL A 426 -47.043 -11.037 -52.441 1.00 25.00 C ATOM 210 CG2 VAL A 426 -47.526 -8.580 -52.360 1.00 25.00 C ATOM 0 H VAL A 426 -44.987 -7.580 -52.199 1.00 25.00 H new ATOM 0 HA VAL A 426 -45.889 -9.579 -50.391 1.00 25.00 H new ATOM 0 HB VAL A 426 -45.905 -9.514 -53.437 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -47.771 -11.136 -53.246 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -46.262 -11.787 -52.564 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -47.540 -11.185 -51.482 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -48.251 -8.716 -53.162 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -48.026 -8.687 -51.397 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -47.087 -7.585 -52.432 1.00 25.00 H new ATOM 220 N GLU A 427 -43.339 -10.282 -52.400 1.00 25.00 N ATOM 221 CA GLU A 427 -42.217 -11.197 -52.608 1.00 25.00 C ATOM 222 C GLU A 427 -41.425 -11.345 -51.308 1.00 25.00 C ATOM 223 O GLU A 427 -41.054 -12.446 -50.910 1.00 25.00 O ATOM 224 CB GLU A 427 -41.292 -10.662 -53.705 1.00 25.00 C ATOM 225 CG GLU A 427 -41.871 -10.743 -55.119 1.00 25.00 C ATOM 226 CD GLU A 427 -40.943 -10.121 -56.167 1.00 25.00 C ATOM 227 OE1 GLU A 427 -39.811 -9.712 -55.812 1.00 25.00 O ATOM 228 OE2 GLU A 427 -41.346 -10.039 -57.350 1.00 25.00 O ATOM 0 H GLU A 427 -43.333 -9.465 -53.011 1.00 25.00 H new ATOM 0 HA GLU A 427 -42.609 -12.167 -52.913 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -41.051 -9.622 -53.484 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -40.356 -11.219 -53.677 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -42.055 -11.787 -55.374 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -42.835 -10.234 -55.144 1.00 25.00 H new ATOM 235 N ALA A 428 -41.174 -10.236 -50.629 1.00 25.00 N ATOM 236 CA ALA A 428 -40.448 -10.280 -49.366 1.00 25.00 C ATOM 237 C ALA A 428 -41.253 -11.052 -48.309 1.00 25.00 C ATOM 238 O ALA A 428 -40.689 -11.815 -47.516 1.00 25.00 O ATOM 239 CB ALA A 428 -40.153 -8.856 -48.884 1.00 25.00 C ATOM 0 H ALA A 428 -41.458 -9.303 -50.926 1.00 25.00 H new ATOM 0 HA ALA A 428 -39.503 -10.801 -49.521 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -39.610 -8.897 -47.940 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -39.548 -8.338 -49.628 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -41.091 -8.319 -48.741 1.00 25.00 H new ATOM 245 N ALA A 429 -42.563 -10.846 -48.303 1.00 25.00 N ATOM 246 CA ALA A 429 -43.439 -11.491 -47.334 1.00 25.00 C ATOM 247 C ALA A 429 -43.464 -13.010 -47.511 1.00 25.00 C ATOM 248 O ALA A 429 -43.387 -13.746 -46.536 1.00 25.00 O ATOM 249 CB ALA A 429 -44.858 -10.920 -47.446 1.00 25.00 C ATOM 0 H ALA A 429 -43.045 -10.234 -48.962 1.00 25.00 H new ATOM 0 HA ALA A 429 -43.043 -11.284 -46.340 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -45.505 -11.408 -46.718 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -44.835 -9.848 -47.250 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -45.243 -11.097 -48.450 1.00 25.00 H new ATOM 255 N GLU A 430 -43.583 -13.497 -48.738 1.00 25.00 N ATOM 256 CA GLU A 430 -43.623 -14.945 -48.943 1.00 25.00 C ATOM 257 C GLU A 430 -42.260 -15.563 -48.626 1.00 25.00 C ATOM 258 O GLU A 430 -42.182 -16.683 -48.109 1.00 25.00 O ATOM 259 CB GLU A 430 -44.122 -15.315 -50.351 1.00 25.00 C ATOM 260 CG GLU A 430 -43.225 -14.901 -51.502 1.00 25.00 C ATOM 261 CD GLU A 430 -43.816 -15.288 -52.849 1.00 25.00 C ATOM 262 OE1 GLU A 430 -44.871 -14.732 -53.225 1.00 25.00 O ATOM 263 OE2 GLU A 430 -43.227 -16.159 -53.530 1.00 25.00 O ATOM 0 H GLU A 430 -43.652 -12.934 -49.586 1.00 25.00 H new ATOM 0 HA GLU A 430 -44.350 -15.367 -48.249 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -44.260 -16.395 -50.394 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -45.102 -14.862 -50.499 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -43.068 -13.823 -51.471 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -42.247 -15.369 -51.387 1.00 25.00 H new ATOM 270 N LEU A 431 -41.184 -14.835 -48.893 1.00 25.00 N ATOM 271 CA LEU A 431 -39.846 -15.332 -48.582 1.00 25.00 C ATOM 272 C LEU A 431 -39.647 -15.466 -47.073 1.00 25.00 C ATOM 273 O LEU A 431 -39.007 -16.422 -46.609 1.00 25.00 O ATOM 274 CB LEU A 431 -38.779 -14.406 -49.173 1.00 25.00 C ATOM 275 CG LEU A 431 -38.576 -14.531 -50.695 1.00 25.00 C ATOM 276 CD1 LEU A 431 -37.716 -13.371 -51.188 1.00 25.00 C ATOM 277 CD2 LEU A 431 -37.911 -15.864 -51.068 1.00 25.00 C ATOM 0 H LEU A 431 -41.207 -13.909 -49.319 1.00 25.00 H new ATOM 0 HA LEU A 431 -39.743 -16.320 -49.030 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -39.046 -13.375 -48.941 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -37.829 -14.608 -48.678 1.00 25.00 H new ATOM 0 HG LEU A 431 -39.555 -14.501 -51.173 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -37.571 -13.458 -52.265 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -38.214 -12.428 -50.963 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -36.748 -13.398 -50.688 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -37.784 -15.917 -52.149 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -36.937 -15.933 -50.584 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -38.540 -16.690 -50.736 1.00 25.00 H new ATOM 289 N GLU A 432 -40.185 -14.544 -46.286 1.00 25.00 N ATOM 290 CA GLU A 432 -40.095 -14.694 -44.833 1.00 25.00 C ATOM 291 C GLU A 432 -41.115 -15.720 -44.311 1.00 25.00 C ATOM 292 O GLU A 432 -40.837 -16.429 -43.345 1.00 25.00 O ATOM 293 CB GLU A 432 -40.174 -13.361 -44.075 1.00 25.00 C ATOM 294 CG GLU A 432 -41.539 -12.715 -43.959 1.00 25.00 C ATOM 295 CD GLU A 432 -41.513 -11.540 -42.994 1.00 25.00 C ATOM 296 OE1 GLU A 432 -41.212 -11.772 -41.796 1.00 25.00 O ATOM 297 OE2 GLU A 432 -41.777 -10.396 -43.415 1.00 25.00 O ATOM 0 H GLU A 432 -40.674 -13.710 -46.611 1.00 25.00 H new ATOM 0 HA GLU A 432 -39.098 -15.084 -44.628 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -39.788 -13.521 -43.068 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -39.505 -12.653 -44.564 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -41.868 -12.375 -44.941 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -42.265 -13.453 -43.618 1.00 25.00 H new ATOM 304 N MET A 433 -42.275 -15.838 -44.946 1.00 25.00 N ATOM 305 CA MET A 433 -43.264 -16.837 -44.526 1.00 25.00 C ATOM 306 C MET A 433 -42.722 -18.236 -44.746 1.00 25.00 C ATOM 307 O MET A 433 -43.028 -19.145 -43.983 1.00 25.00 O ATOM 308 CB MET A 433 -44.590 -16.679 -45.270 1.00 25.00 C ATOM 309 CG MET A 433 -45.495 -15.640 -44.634 1.00 25.00 C ATOM 310 SD MET A 433 -47.162 -15.606 -45.347 1.00 25.00 S ATOM 311 CE MET A 433 -46.872 -14.865 -46.964 1.00 25.00 C ATOM 0 H MET A 433 -42.556 -15.266 -45.742 1.00 25.00 H new ATOM 0 HA MET A 433 -43.454 -16.677 -43.465 1.00 25.00 H new ATOM 0 HB2 MET A 433 -44.391 -16.398 -46.304 1.00 25.00 H new ATOM 0 HB3 MET A 433 -45.106 -17.639 -45.294 1.00 25.00 H new ATOM 0 HG2 MET A 433 -45.569 -15.839 -43.565 1.00 25.00 H new ATOM 0 HG3 MET A 433 -45.040 -14.656 -44.745 1.00 25.00 H new ATOM 0 HE1 MET A 433 -47.781 -14.371 -47.306 1.00 25.00 H new ATOM 0 HE2 MET A 433 -46.067 -14.133 -46.890 1.00 25.00 H new ATOM 0 HE3 MET A 433 -46.592 -15.642 -47.675 1.00 25.00 H new ATOM 321 N THR A 434 -41.888 -18.405 -45.765 1.00 25.00 N ATOM 322 CA THR A 434 -41.244 -19.695 -46.046 1.00 25.00 C ATOM 323 C THR A 434 -40.479 -20.191 -44.808 1.00 25.00 C ATOM 324 O THR A 434 -40.340 -21.388 -44.573 1.00 25.00 O ATOM 325 CB THR A 434 -40.259 -19.569 -47.248 1.00 25.00 C ATOM 326 OG1 THR A 434 -40.969 -19.119 -48.405 1.00 25.00 O ATOM 327 CG2 THR A 434 -39.630 -20.909 -47.610 1.00 25.00 C ATOM 0 H THR A 434 -41.637 -17.663 -46.418 1.00 25.00 H new ATOM 0 HA THR A 434 -42.024 -20.413 -46.301 1.00 25.00 H new ATOM 0 HB THR A 434 -39.481 -18.867 -46.948 1.00 25.00 H new ATOM 0 HG1 THR A 434 -41.238 -18.185 -48.281 1.00 25.00 H new ATOM 0 HG21 THR A 434 -38.951 -20.776 -48.452 1.00 25.00 H new ATOM 0 HG22 THR A 434 -39.076 -21.294 -46.754 1.00 25.00 H new ATOM 0 HG23 THR A 434 -40.413 -21.616 -47.883 1.00 25.00 H new ATOM 335 N ARG A 435 -39.996 -19.266 -43.993 1.00 25.00 N ATOM 336 CA ARG A 435 -39.237 -19.627 -42.791 1.00 25.00 C ATOM 337 C ARG A 435 -40.165 -20.277 -41.772 1.00 25.00 C ATOM 338 O ARG A 435 -39.812 -21.270 -41.156 1.00 25.00 O ATOM 339 CB ARG A 435 -38.572 -18.393 -42.157 1.00 25.00 C ATOM 340 CG ARG A 435 -37.849 -17.462 -43.140 1.00 25.00 C ATOM 341 CD ARG A 435 -36.609 -18.061 -43.756 1.00 25.00 C ATOM 342 NE ARG A 435 -36.109 -17.163 -44.811 1.00 25.00 N ATOM 343 CZ ARG A 435 -34.881 -17.164 -45.310 1.00 25.00 C ATOM 344 NH1 ARG A 435 -33.957 -18.000 -44.899 1.00 25.00 N ATOM 345 NH2 ARG A 435 -34.578 -16.304 -46.241 1.00 25.00 N ATOM 0 H ARG A 435 -40.112 -18.263 -44.135 1.00 25.00 H new ATOM 0 HA ARG A 435 -38.455 -20.327 -43.085 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -39.335 -17.819 -41.632 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -37.856 -18.731 -41.408 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -38.540 -17.185 -43.936 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -37.576 -16.543 -42.620 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -35.844 -18.207 -42.993 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -36.834 -19.042 -44.174 1.00 25.00 H new ATOM 0 HE ARG A 435 -36.765 -16.481 -45.191 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -34.173 -18.681 -44.170 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -33.023 -17.969 -45.308 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -35.281 -15.644 -46.574 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -33.638 -16.290 -46.636 1.00 25.00 H new ATOM 359 N GLN A 436 -41.355 -19.718 -41.607 1.00 25.00 N ATOM 360 CA GLN A 436 -42.335 -20.273 -40.668 1.00 25.00 C ATOM 361 C GLN A 436 -42.905 -21.573 -41.227 1.00 25.00 C ATOM 362 O GLN A 436 -43.189 -22.507 -40.488 1.00 25.00 O ATOM 363 CB GLN A 436 -43.475 -19.287 -40.417 1.00 25.00 C ATOM 364 CG GLN A 436 -43.042 -18.023 -39.680 1.00 25.00 C ATOM 365 CD GLN A 436 -43.189 -16.782 -40.528 1.00 25.00 C ATOM 366 OE1 GLN A 436 -44.236 -16.528 -41.089 1.00 25.00 O ATOM 367 NE2 GLN A 436 -42.144 -16.011 -40.621 1.00 25.00 N ATOM 0 H GLN A 436 -41.670 -18.885 -42.105 1.00 25.00 H new ATOM 0 HA GLN A 436 -41.828 -20.466 -39.722 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -43.918 -19.006 -41.373 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -44.254 -19.785 -39.839 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -43.637 -17.913 -38.773 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -42.003 -18.126 -39.368 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -41.282 -16.259 -40.135 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -42.187 -15.159 -41.180 1.00 25.00 H new ATOM 376 N VAL A 437 -43.051 -21.618 -42.540 1.00 25.00 N ATOM 377 CA VAL A 437 -43.540 -22.797 -43.248 1.00 25.00 C ATOM 378 C VAL A 437 -42.618 -23.991 -42.970 1.00 25.00 C ATOM 379 O VAL A 437 -43.083 -25.103 -42.755 1.00 25.00 O ATOM 380 CB VAL A 437 -43.629 -22.464 -44.770 1.00 25.00 C ATOM 381 CG1 VAL A 437 -43.536 -23.695 -45.645 1.00 25.00 C ATOM 382 CG2 VAL A 437 -44.923 -21.683 -45.068 1.00 25.00 C ATOM 0 H VAL A 437 -42.833 -20.833 -43.153 1.00 25.00 H new ATOM 0 HA VAL A 437 -44.535 -23.072 -42.898 1.00 25.00 H new ATOM 0 HB VAL A 437 -42.767 -21.843 -45.013 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -43.604 -23.403 -46.693 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -42.584 -24.196 -45.469 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -44.353 -24.375 -45.405 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -44.974 -21.456 -46.133 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -45.785 -22.286 -44.784 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -44.926 -20.754 -44.499 1.00 25.00 H new ATOM 392 N LEU A 438 -41.314 -23.754 -42.942 1.00 25.00 N ATOM 393 CA LEU A 438 -40.344 -24.820 -42.660 1.00 25.00 C ATOM 394 C LEU A 438 -40.365 -25.276 -41.199 1.00 25.00 C ATOM 395 O LEU A 438 -39.801 -26.315 -40.862 1.00 25.00 O ATOM 396 CB LEU A 438 -38.930 -24.350 -43.021 1.00 25.00 C ATOM 397 CG LEU A 438 -38.619 -24.264 -44.525 1.00 25.00 C ATOM 398 CD1 LEU A 438 -37.254 -23.606 -44.726 1.00 25.00 C ATOM 399 CD2 LEU A 438 -38.626 -25.647 -45.169 1.00 25.00 C ATOM 0 H LEU A 438 -40.897 -22.838 -43.110 1.00 25.00 H new ATOM 0 HA LEU A 438 -40.632 -25.674 -43.273 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -38.770 -23.367 -42.579 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -38.213 -25.028 -42.559 1.00 25.00 H new ATOM 0 HG LEU A 438 -39.393 -23.664 -45.003 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -37.033 -23.545 -45.792 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -37.267 -22.603 -44.300 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -36.487 -24.201 -44.230 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -38.403 -25.555 -46.232 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -37.872 -26.274 -44.693 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -39.608 -26.102 -45.043 1.00 25.00 H new ATOM 720 N ALA A 462 -18.477 -33.287 -45.525 1.00 25.00 N ATOM 721 CA ALA A 462 -17.559 -33.225 -44.399 1.00 25.00 C ATOM 722 C ALA A 462 -18.133 -33.996 -43.207 1.00 25.00 C ATOM 723 O ALA A 462 -17.433 -34.791 -42.585 1.00 25.00 O ATOM 724 CB ALA A 462 -17.297 -31.768 -44.015 1.00 25.00 C ATOM 0 HA ALA A 462 -16.614 -33.685 -44.688 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -16.608 -31.732 -43.171 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.859 -31.241 -44.863 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -18.237 -31.290 -43.737 1.00 25.00 H new ATOM 730 N LEU A 463 -19.403 -33.772 -42.893 1.00 25.00 N ATOM 731 CA LEU A 463 -20.026 -34.455 -41.765 1.00 25.00 C ATOM 732 C LEU A 463 -20.150 -35.947 -42.034 1.00 25.00 C ATOM 733 O LEU A 463 -19.930 -36.731 -41.135 1.00 25.00 O ATOM 734 CB LEU A 463 -21.373 -33.810 -41.374 1.00 25.00 C ATOM 735 CG LEU A 463 -22.707 -34.281 -41.987 1.00 25.00 C ATOM 736 CD1 LEU A 463 -23.304 -35.491 -41.253 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.700 -33.136 -41.932 1.00 25.00 C ATOM 0 H LEU A 463 -20.016 -33.131 -43.396 1.00 25.00 H new ATOM 0 HA LEU A 463 -19.373 -34.337 -40.901 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -21.469 -33.912 -40.293 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -21.286 -32.745 -41.588 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.506 -34.588 -43.013 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -24.242 -35.778 -41.728 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.604 -36.325 -41.298 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -23.490 -35.229 -40.211 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.649 -33.456 -42.363 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.855 -32.838 -40.895 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -23.311 -32.290 -42.499 1.00 25.00 H new ATOM 749 N GLN A 464 -20.474 -36.359 -43.254 1.00 25.00 N ATOM 750 CA GLN A 464 -20.552 -37.793 -43.554 1.00 25.00 C ATOM 751 C GLN A 464 -19.238 -38.486 -43.224 1.00 25.00 C ATOM 752 O GLN A 464 -19.223 -39.589 -42.676 1.00 25.00 O ATOM 753 CB GLN A 464 -20.914 -38.029 -45.015 1.00 25.00 C ATOM 754 CG GLN A 464 -22.358 -37.717 -45.304 1.00 25.00 C ATOM 755 CD GLN A 464 -22.769 -38.130 -46.684 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.140 -37.791 -47.681 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.828 -38.875 -46.749 1.00 25.00 N ATOM 0 H GLN A 464 -20.683 -35.741 -44.038 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.339 -38.218 -42.931 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.277 -37.412 -45.649 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -20.710 -39.068 -45.274 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -22.989 -38.223 -44.574 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.526 -36.647 -45.183 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.322 -39.134 -45.895 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.167 -39.202 -47.654 1.00 25.00 H new ATOM 766 N GLY A 465 -18.139 -37.823 -43.538 1.00 25.00 N ATOM 767 CA GLY A 465 -16.834 -38.363 -43.227 1.00 25.00 C ATOM 768 C GLY A 465 -16.625 -38.352 -41.734 1.00 25.00 C ATOM 769 O GLY A 465 -16.253 -39.358 -41.155 1.00 25.00 O ATOM 0 H GLY A 465 -18.127 -36.916 -44.005 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -16.750 -39.381 -43.609 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.059 -37.774 -43.717 1.00 25.00 H new ATOM 773 N ALA A 466 -16.882 -37.213 -41.107 1.00 25.00 N ATOM 774 CA ALA A 466 -16.704 -37.052 -39.666 1.00 25.00 C ATOM 775 C ALA A 466 -17.477 -38.100 -38.853 1.00 25.00 C ATOM 776 O ALA A 466 -16.992 -38.576 -37.839 1.00 25.00 O ATOM 777 CB ALA A 466 -17.136 -35.647 -39.254 1.00 25.00 C ATOM 0 H ALA A 466 -17.219 -36.374 -41.579 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.646 -37.200 -39.448 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -17.003 -35.526 -38.179 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.528 -34.911 -39.780 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.185 -35.500 -39.509 1.00 25.00 H new ATOM 783 N GLN A 467 -18.665 -38.466 -39.299 1.00 25.00 N ATOM 784 CA GLN A 467 -19.468 -39.461 -38.587 1.00 25.00 C ATOM 785 C GLN A 467 -18.864 -40.851 -38.760 1.00 25.00 C ATOM 786 O GLN A 467 -18.782 -41.630 -37.810 1.00 25.00 O ATOM 787 CB GLN A 467 -20.888 -39.482 -39.145 1.00 25.00 C ATOM 788 CG GLN A 467 -21.705 -38.198 -38.912 1.00 25.00 C ATOM 789 CD GLN A 467 -22.108 -37.967 -37.472 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.075 -38.859 -36.642 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.502 -36.754 -37.179 1.00 25.00 N ATOM 0 H GLN A 467 -19.099 -38.096 -40.145 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.483 -39.193 -37.531 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.837 -39.671 -40.217 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.424 -40.320 -38.699 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.122 -37.343 -39.255 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.604 -38.237 -39.527 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.516 -36.034 -37.901 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.795 -36.529 -36.228 1.00 25.00 H new ATOM 800 N ALA A 468 -18.443 -41.165 -39.978 1.00 25.00 N ATOM 801 CA ALA A 468 -17.871 -42.473 -40.265 1.00 25.00 C ATOM 802 C ALA A 468 -16.568 -42.657 -39.486 1.00 25.00 C ATOM 803 O ALA A 468 -16.328 -43.706 -38.888 1.00 25.00 O ATOM 804 CB ALA A 468 -17.624 -42.619 -41.774 1.00 25.00 C ATOM 0 H ALA A 468 -18.486 -40.535 -40.779 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.573 -43.246 -39.953 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.196 -43.600 -41.979 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -18.568 -42.516 -42.309 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -16.932 -41.845 -42.106 1.00 25.00 H new ATOM 810 N VAL A 469 -15.729 -41.632 -39.483 1.00 25.00 N ATOM 811 CA VAL A 469 -14.464 -41.718 -38.766 1.00 25.00 C ATOM 812 C VAL A 469 -14.700 -41.706 -37.268 1.00 25.00 C ATOM 813 O VAL A 469 -13.939 -42.304 -36.548 1.00 25.00 O ATOM 814 CB VAL A 469 -13.441 -40.604 -39.164 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.195 -40.627 -40.672 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.899 -39.233 -38.728 1.00 25.00 C ATOM 0 H VAL A 469 -15.895 -40.746 -39.959 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.014 -42.666 -39.059 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.507 -40.816 -38.644 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.481 -39.847 -40.936 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -12.794 -41.599 -40.960 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.134 -40.452 -41.197 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.158 -38.490 -39.025 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.854 -39.001 -39.199 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.016 -39.216 -37.644 1.00 25.00 H new ATOM 826 N ALA A 470 -15.748 -41.046 -36.789 1.00 25.00 N ATOM 827 CA ALA A 470 -16.020 -40.994 -35.347 1.00 25.00 C ATOM 828 C ALA A 470 -16.178 -42.401 -34.770 1.00 25.00 C ATOM 829 O ALA A 470 -15.752 -42.666 -33.644 1.00 25.00 O ATOM 830 CB ALA A 470 -17.271 -40.158 -35.059 1.00 25.00 C ATOM 0 H ALA A 470 -16.421 -40.542 -37.367 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.167 -40.518 -34.863 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.453 -40.134 -33.985 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.122 -39.142 -35.425 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.130 -40.603 -35.562 1.00 25.00 H new ATOM 836 N ALA A 471 -16.769 -43.303 -35.543 1.00 25.00 N ATOM 837 CA ALA A 471 -16.922 -44.688 -35.109 1.00 25.00 C ATOM 838 C ALA A 471 -15.538 -45.335 -34.955 1.00 25.00 C ATOM 839 O ALA A 471 -15.308 -46.116 -34.041 1.00 25.00 O ATOM 840 CB ALA A 471 -17.777 -45.465 -36.116 1.00 25.00 C ATOM 0 H ALA A 471 -17.149 -43.104 -36.468 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.428 -44.711 -34.144 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.885 -46.497 -35.782 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.762 -45.003 -36.190 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.294 -45.448 -37.093 1.00 25.00 H new ATOM 846 N ALA A 472 -14.618 -44.993 -35.845 1.00 25.00 N ATOM 847 CA ALA A 472 -13.250 -45.492 -35.763 1.00 25.00 C ATOM 848 C ALA A 472 -12.484 -44.824 -34.610 1.00 25.00 C ATOM 849 O ALA A 472 -11.651 -45.451 -33.981 1.00 25.00 O ATOM 850 CB ALA A 472 -12.522 -45.263 -37.096 1.00 25.00 C ATOM 0 H ALA A 472 -14.793 -44.371 -36.634 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.290 -46.563 -35.562 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.502 -45.639 -37.023 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.047 -45.790 -37.893 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.500 -44.196 -37.320 1.00 25.00 H new ATOM 856 N GLN A 473 -12.754 -43.555 -34.337 1.00 25.00 N ATOM 857 CA GLN A 473 -12.052 -42.845 -33.268 1.00 25.00 C ATOM 858 C GLN A 473 -12.433 -43.356 -31.888 1.00 25.00 C ATOM 859 O GLN A 473 -11.571 -43.593 -31.045 1.00 25.00 O ATOM 860 CB GLN A 473 -12.344 -41.339 -33.302 1.00 25.00 C ATOM 861 CG GLN A 473 -11.953 -40.614 -34.585 1.00 25.00 C ATOM 862 CD GLN A 473 -10.465 -40.490 -34.801 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.666 -40.664 -33.899 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.092 -40.182 -36.017 1.00 25.00 N ATOM 0 H GLN A 473 -13.448 -42.997 -34.834 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.993 -43.029 -33.446 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.411 -41.192 -33.135 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.823 -40.868 -32.468 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.388 -41.142 -35.433 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.391 -39.616 -34.572 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.792 -40.044 -36.746 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.101 -40.080 -36.236 1.00 25.00 H new ATOM 873 N ARG A 474 -13.725 -43.540 -31.651 1.00 25.00 N ATOM 874 CA ARG A 474 -14.180 -44.063 -30.353 1.00 25.00 C ATOM 875 C ARG A 474 -13.614 -45.467 -30.158 1.00 25.00 C ATOM 876 O ARG A 474 -13.403 -45.915 -29.040 1.00 25.00 O ATOM 877 CB ARG A 474 -15.717 -44.058 -30.247 1.00 25.00 C ATOM 878 CG ARG A 474 -16.436 -44.967 -31.232 1.00 25.00 C ATOM 879 CD ARG A 474 -17.948 -44.796 -31.182 1.00 25.00 C ATOM 880 NE ARG A 474 -18.525 -45.268 -29.909 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.819 -45.265 -29.609 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.731 -44.818 -30.439 1.00 25.00 N ATOM 883 NH2 ARG A 474 -20.205 -45.721 -28.449 1.00 25.00 N ATOM 0 H ARG A 474 -14.469 -43.342 -32.320 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.812 -43.413 -29.559 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.997 -44.352 -29.235 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -16.072 -43.038 -30.392 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.082 -44.756 -32.241 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.183 -46.005 -31.016 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.197 -43.744 -31.323 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.401 -45.344 -32.008 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.880 -45.625 -29.204 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.456 -44.456 -31.352 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.715 -44.833 -30.171 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.516 -46.074 -27.785 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -21.196 -45.724 -28.206 1.00 25.00 H new ATOM 897 N LEU A 475 -13.362 -46.140 -31.269 1.00 25.00 N ATOM 898 CA LEU A 475 -12.777 -47.468 -31.266 1.00 25.00 C ATOM 899 C LEU A 475 -11.267 -47.423 -30.978 1.00 25.00 C ATOM 900 O LEU A 475 -10.796 -48.132 -30.098 1.00 25.00 O ATOM 901 CB LEU A 475 -13.064 -48.125 -32.628 1.00 25.00 C ATOM 902 CG LEU A 475 -12.026 -49.087 -33.216 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.937 -50.365 -32.375 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.394 -49.442 -34.646 1.00 25.00 C ATOM 0 H LEU A 475 -13.559 -45.777 -32.202 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.225 -48.059 -30.467 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -14.005 -48.668 -32.541 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.222 -47.327 -33.353 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.055 -48.591 -33.206 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.195 -51.035 -32.809 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.645 -50.111 -31.356 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.908 -50.860 -32.361 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.650 -50.126 -35.054 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.373 -49.920 -34.662 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.423 -48.535 -35.250 1.00 25.00 H new ATOM 916 N VAL A 476 -10.505 -46.613 -31.705 1.00 25.00 N ATOM 917 CA VAL A 476 -9.048 -46.597 -31.532 1.00 25.00 C ATOM 918 C VAL A 476 -8.696 -46.141 -30.125 1.00 25.00 C ATOM 919 O VAL A 476 -7.765 -46.653 -29.506 1.00 25.00 O ATOM 920 CB VAL A 476 -8.313 -45.750 -32.630 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.632 -44.271 -32.530 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.802 -45.963 -32.546 1.00 25.00 C ATOM 0 H VAL A 476 -10.860 -45.967 -32.410 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.687 -47.617 -31.665 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.678 -46.099 -33.596 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.099 -43.730 -33.312 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.705 -44.121 -32.652 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.322 -43.897 -31.554 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.307 -45.369 -33.314 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.445 -45.655 -31.563 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.574 -47.018 -32.701 1.00 25.00 H new ATOM 932 N HIS A 477 -9.460 -45.198 -29.604 1.00 25.00 N ATOM 933 CA HIS A 477 -9.240 -44.712 -28.264 1.00 25.00 C ATOM 934 C HIS A 477 -9.491 -45.819 -27.249 1.00 25.00 C ATOM 935 O HIS A 477 -8.814 -45.886 -26.239 1.00 25.00 O ATOM 936 CB HIS A 477 -10.137 -43.507 -27.990 1.00 25.00 C ATOM 937 CG HIS A 477 -9.644 -42.643 -26.873 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.283 -41.519 -26.414 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.518 -42.741 -26.117 1.00 25.00 C ATOM 940 CE1 HIS A 477 -9.553 -40.999 -25.429 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.467 -41.708 -25.203 1.00 25.00 N ATOM 0 H HIS A 477 -10.238 -44.756 -30.093 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.201 -44.396 -28.169 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.215 -42.907 -28.897 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.142 -43.857 -27.753 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.772 -43.515 -26.217 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -9.819 -40.106 -24.883 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -7.745 -41.532 -24.504 1.00 25.00 H new ATOM 949 N ALA A 478 -10.444 -46.704 -27.517 1.00 25.00 N ATOM 950 CA ALA A 478 -10.726 -47.791 -26.589 1.00 25.00 C ATOM 951 C ALA A 478 -9.495 -48.694 -26.461 1.00 25.00 C ATOM 952 O ALA A 478 -9.125 -49.092 -25.364 1.00 25.00 O ATOM 953 CB ALA A 478 -11.942 -48.597 -27.058 1.00 25.00 C ATOM 0 H ALA A 478 -11.026 -46.692 -28.355 1.00 25.00 H new ATOM 0 HA ALA A 478 -10.958 -47.371 -25.610 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.137 -49.405 -26.352 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.813 -47.944 -27.112 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.742 -49.017 -28.044 1.00 25.00 H new ATOM 959 N ILE A 479 -8.854 -49.009 -27.577 1.00 25.00 N ATOM 960 CA ILE A 479 -7.674 -49.877 -27.550 1.00 25.00 C ATOM 961 C ILE A 479 -6.518 -49.143 -26.911 1.00 25.00 C ATOM 962 O ILE A 479 -5.733 -49.736 -26.195 1.00 25.00 O ATOM 963 CB ILE A 479 -7.232 -50.316 -28.955 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.379 -51.007 -29.689 1.00 25.00 C ATOM 965 CG2 ILE A 479 -6.030 -51.291 -28.895 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.530 -50.458 -31.033 1.00 25.00 C ATOM 0 H ILE A 479 -9.123 -48.683 -28.506 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.951 -50.764 -26.980 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.934 -49.414 -29.490 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -8.188 -52.079 -29.747 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.306 -50.878 -29.131 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.745 -51.580 -29.907 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.188 -50.801 -28.407 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.310 -52.180 -28.329 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.352 -50.962 -31.542 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.743 -49.391 -30.968 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.608 -50.611 -31.594 1.00 25.00 H new ATOM 978 N ALA A 480 -6.425 -47.843 -27.150 1.00 25.00 N ATOM 979 CA ALA A 480 -5.358 -47.033 -26.575 1.00 25.00 C ATOM 980 C ALA A 480 -5.389 -47.149 -25.045 1.00 25.00 C ATOM 981 O ALA A 480 -4.369 -47.002 -24.368 1.00 25.00 O ATOM 982 CB ALA A 480 -5.509 -45.573 -27.021 1.00 25.00 C ATOM 0 H ALA A 480 -7.076 -47.325 -27.739 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.393 -47.397 -26.929 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.708 -44.975 -26.587 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.455 -45.517 -28.108 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.472 -45.188 -26.685 1.00 25.00 H new ATOM 988 N LEU A 481 -6.565 -47.424 -24.501 1.00 25.00 N ATOM 989 CA LEU A 481 -6.698 -47.611 -23.052 1.00 25.00 C ATOM 990 C LEU A 481 -6.275 -49.011 -22.674 1.00 25.00 C ATOM 991 O LEU A 481 -5.575 -49.216 -21.694 1.00 25.00 O ATOM 992 CB LEU A 481 -8.127 -47.364 -22.594 1.00 25.00 C ATOM 993 CG LEU A 481 -8.564 -45.951 -22.953 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.074 -45.906 -23.039 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.047 -44.915 -21.961 1.00 25.00 C ATOM 0 H LEU A 481 -7.434 -47.523 -25.027 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.051 -46.887 -22.556 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.795 -48.088 -23.061 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.201 -47.511 -21.517 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.131 -45.696 -23.920 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.394 -44.896 -23.296 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.416 -46.601 -23.806 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.502 -46.188 -22.077 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.386 -43.923 -22.261 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.428 -45.143 -20.965 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -6.957 -44.937 -21.946 1.00 25.00 H new ATOM 1007 N MET A 482 -6.686 -49.985 -23.465 1.00 25.00 N ATOM 1008 CA MET A 482 -6.320 -51.374 -23.204 1.00 25.00 C ATOM 1009 C MET A 482 -4.818 -51.550 -23.244 1.00 25.00 C ATOM 1010 O MET A 482 -4.265 -52.392 -22.547 1.00 25.00 O ATOM 1011 CB MET A 482 -6.957 -52.303 -24.235 1.00 25.00 C ATOM 1012 CG MET A 482 -8.438 -52.173 -24.242 1.00 25.00 C ATOM 1013 SD MET A 482 -9.292 -53.606 -24.925 1.00 25.00 S ATOM 1014 CE MET A 482 -9.085 -53.338 -26.679 1.00 25.00 C ATOM 0 H MET A 482 -7.270 -49.846 -24.290 1.00 25.00 H new ATOM 0 HA MET A 482 -6.687 -51.630 -22.210 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.565 -52.072 -25.226 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.682 -53.335 -24.016 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.784 -52.008 -23.221 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.713 -51.289 -24.818 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.501 -54.183 -27.228 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.603 -52.425 -26.971 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.024 -53.242 -26.910 1.00 25.00 H new ATOM 1024 N THR A 483 -4.150 -50.746 -24.052 1.00 25.00 N ATOM 1025 CA THR A 483 -2.702 -50.892 -24.216 1.00 25.00 C ATOM 1026 C THR A 483 -1.931 -50.296 -23.053 1.00 25.00 C ATOM 1027 O THR A 483 -0.747 -50.566 -22.889 1.00 25.00 O ATOM 1028 CB THR A 483 -2.231 -50.282 -25.539 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.725 -48.947 -25.661 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.772 -51.090 -26.699 1.00 25.00 C ATOM 0 H THR A 483 -4.572 -49.996 -24.599 1.00 25.00 H new ATOM 0 HA THR A 483 -2.494 -51.962 -24.233 1.00 25.00 H new ATOM 0 HB THR A 483 -1.141 -50.284 -25.552 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.419 -48.561 -26.509 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.433 -50.651 -27.637 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.411 -52.116 -26.627 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.862 -51.086 -26.669 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.603 -49.503 -22.229 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.971 -48.950 -21.034 1.00 25.00 C ATOM 1040 C GLN A 484 -2.488 -49.618 -19.759 1.00 25.00 C ATOM 1041 O GLN A 484 -1.763 -49.687 -18.774 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.093 -47.419 -20.983 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.504 -46.877 -20.964 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.535 -45.373 -21.081 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.170 -44.662 -20.161 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -3.961 -44.885 -22.215 1.00 25.00 N ATOM 0 H GLN A 484 -3.576 -49.229 -22.362 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.907 -49.177 -21.095 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.573 -47.060 -20.095 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.574 -47.002 -21.846 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.072 -47.316 -21.784 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -3.996 -47.179 -20.039 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.258 -45.514 -22.961 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -3.997 -43.875 -22.354 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.710 -50.138 -19.769 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.220 -50.874 -18.631 1.00 25.00 C ATOM 1057 C PHE A 485 -3.646 -52.290 -18.618 1.00 25.00 C ATOM 1058 O PHE A 485 -3.306 -52.819 -17.570 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.744 -50.956 -18.710 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.448 -49.774 -18.093 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.426 -49.585 -16.698 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.145 -48.851 -18.895 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.093 -48.483 -16.105 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.808 -47.739 -18.315 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.779 -47.556 -16.917 1.00 25.00 C ATOM 0 H PHE A 485 -4.360 -50.061 -20.552 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.924 -50.355 -17.719 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.041 -51.039 -19.756 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.076 -51.866 -18.211 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -5.895 -50.287 -16.072 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -7.175 -48.991 -19.965 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.076 -48.354 -15.033 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.334 -47.034 -18.942 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.280 -46.710 -16.470 1.00 25.00 H new