USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 433 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 Set 1.1: A 416 THR OG1 : rot -84:sc= 0.409 USER MOD Set 1.2: A 419 MET CE :methyl -159:sc= -0.0111 (180deg=-0.692) USER MOD Set 2.1: A 398 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 409 HIS : no HD1:sc= -0.215 X(o=-0.21,f=0) USER MOD Set 3.1: A 404 SER OG : rot -150:sc= 0.277 USER MOD Set 3.2: A 405 LYS NZ :NH3+ -139:sc= 0.445 (180deg=0) USER MOD Set 4.1: A 393 SER OG : rot -127:sc= 0.62 USER MOD Set 4.2: A 410 TYR OH : rot 80:sc= 0.566 USER MOD Single : A 381 GLN : amide:sc= -0.0779 X(o=-0.078,f=-0.078) USER MOD Single : A 389 LYS NZ :NH3+ -137:sc= 0.765 (180deg=0.0356) USER MOD Single : A 390 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.71) USER MOD Single : A 397 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 ASN : amide:sc= -0.081 X(o=-0.081,f=-0.13) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 ASN : amide:sc= 1.1 K(o=1.1,f=-0.0062) USER MOD Single : A 414 ASN : amide:sc= 0.499 K(o=0.5,f=-0.0058) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 THR OG1 : rot 74:sc= 0.147 USER MOD Single : A 427 MET CE :methyl -153:sc= -0.0451 (180deg=-0.7) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 6.048 -21.108 13.406 1.00 0.00 N ATOM 72 CA GLN A 381 6.840 -21.894 12.470 1.00 0.00 C ATOM 73 C GLN A 381 6.819 -21.220 11.097 1.00 0.00 C ATOM 74 O GLN A 381 6.099 -21.643 10.194 1.00 0.00 O ATOM 75 CB GLN A 381 6.336 -23.345 12.394 1.00 0.00 C ATOM 76 CG GLN A 381 6.375 -24.078 13.740 1.00 0.00 C ATOM 77 CD GLN A 381 7.800 -24.259 14.252 1.00 0.00 C ATOM 78 OE1 GLN A 381 8.190 -23.659 15.250 1.00 0.00 O ATOM 79 NE2 GLN A 381 8.586 -25.088 13.567 1.00 0.00 N ATOM 0 HA GLN A 381 7.870 -21.937 12.824 1.00 0.00 H new ATOM 0 HB2 GLN A 381 5.313 -23.346 12.018 1.00 0.00 H new ATOM 0 HB3 GLN A 381 6.941 -23.894 11.673 1.00 0.00 H new ATOM 0 HG2 GLN A 381 5.795 -23.519 14.474 1.00 0.00 H new ATOM 0 HG3 GLN A 381 5.901 -25.054 13.635 1.00 0.00 H new ATOM 0 HE21 GLN A 381 8.225 -25.568 12.743 1.00 0.00 H new ATOM 0 HE22 GLN A 381 9.549 -25.243 13.867 1.00 0.00 H new ATOM 88 N ALA A 382 7.632 -20.167 10.947 1.00 0.00 N ATOM 89 CA ALA A 382 7.766 -19.424 9.704 1.00 0.00 C ATOM 90 C ALA A 382 8.275 -20.369 8.618 1.00 0.00 C ATOM 91 O ALA A 382 9.300 -21.024 8.809 1.00 0.00 O ATOM 92 CB ALA A 382 8.727 -18.249 9.906 1.00 0.00 C ATOM 0 H ALA A 382 8.220 -19.809 11.700 1.00 0.00 H new ATOM 0 HA ALA A 382 6.801 -19.021 9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 382 8.825 -17.695 8.973 1.00 0.00 H new ATOM 0 HB2 ALA A 382 8.337 -17.589 10.681 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.704 -18.626 10.208 1.00 0.00 H new ATOM 98 N TRP A 383 7.562 -20.454 7.490 1.00 0.00 N ATOM 99 CA TRP A 383 7.967 -21.327 6.401 1.00 0.00 C ATOM 100 C TRP A 383 9.235 -20.777 5.731 1.00 0.00 C ATOM 101 O TRP A 383 9.545 -19.589 5.838 1.00 0.00 O ATOM 102 CB TRP A 383 6.814 -21.493 5.409 1.00 0.00 C ATOM 103 CG TRP A 383 5.643 -22.333 5.839 1.00 0.00 C ATOM 104 CD1 TRP A 383 4.726 -22.024 6.785 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.243 -23.639 5.328 1.00 0.00 C ATOM 106 NE1 TRP A 383 3.787 -23.030 6.888 1.00 0.00 N ATOM 107 CE2 TRP A 383 4.058 -24.056 6.006 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.762 -24.515 4.353 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.421 -25.274 5.719 1.00 0.00 C ATOM 110 CZ3 TRP A 383 5.138 -25.742 4.069 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.969 -26.119 4.745 1.00 0.00 C ATOM 0 H TRP A 383 6.706 -19.928 7.315 1.00 0.00 H new ATOM 0 HA TRP A 383 8.207 -22.316 6.791 1.00 0.00 H new ATOM 0 HB2 TRP A 383 6.441 -20.500 5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.218 -21.923 4.493 1.00 0.00 H new ATOM 0 HD1 TRP A 383 4.729 -21.119 7.375 1.00 0.00 H new ATOM 0 HE1 TRP A 383 2.996 -23.017 7.532 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.656 -24.238 3.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.520 -25.556 6.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.562 -26.399 3.324 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.491 -27.060 4.515 1.00 0.00 H new ATOM 122 N LEU A 384 9.973 -21.658 5.051 1.00 0.00 N ATOM 123 CA LEU A 384 11.216 -21.364 4.350 1.00 0.00 C ATOM 124 C LEU A 384 11.276 -22.224 3.089 1.00 0.00 C ATOM 125 O LEU A 384 10.468 -23.142 2.956 1.00 0.00 O ATOM 126 CB LEU A 384 12.425 -21.609 5.269 1.00 0.00 C ATOM 127 CG LEU A 384 12.593 -23.059 5.775 1.00 0.00 C ATOM 128 CD1 LEU A 384 14.057 -23.282 6.168 1.00 0.00 C ATOM 129 CD2 LEU A 384 11.715 -23.378 6.995 1.00 0.00 C ATOM 0 H LEU A 384 9.704 -22.639 4.973 1.00 0.00 H new ATOM 0 HA LEU A 384 11.248 -20.313 4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 384 13.330 -21.322 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 384 12.343 -20.949 6.132 1.00 0.00 H new ATOM 0 HG LEU A 384 12.284 -23.717 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 384 14.186 -24.303 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 384 14.696 -23.119 5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 384 14.332 -22.583 6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 384 11.879 -24.411 7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 384 11.976 -22.710 7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 384 10.666 -23.239 6.734 1.00 0.00 H new ATOM 141 N TRP A 385 12.211 -21.954 2.162 1.00 0.00 N ATOM 142 CA TRP A 385 12.283 -22.736 0.931 1.00 0.00 C ATOM 143 C TRP A 385 12.433 -24.228 1.157 1.00 0.00 C ATOM 144 O TRP A 385 12.045 -24.972 0.279 1.00 0.00 O ATOM 145 CB TRP A 385 13.300 -22.246 -0.104 1.00 0.00 C ATOM 146 CG TRP A 385 14.747 -22.488 0.186 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.577 -21.500 0.542 1.00 0.00 C ATOM 148 CD2 TRP A 385 15.567 -23.702 0.161 1.00 0.00 C ATOM 149 NE1 TRP A 385 16.849 -21.981 0.757 1.00 0.00 N ATOM 150 CE2 TRP A 385 16.898 -23.343 0.535 1.00 0.00 C ATOM 151 CE3 TRP A 385 15.337 -25.064 -0.135 1.00 0.00 C ATOM 152 CZ2 TRP A 385 17.936 -24.284 0.615 1.00 0.00 C ATOM 153 CZ3 TRP A 385 16.369 -26.015 -0.053 1.00 0.00 C ATOM 154 CH2 TRP A 385 17.667 -25.629 0.321 1.00 0.00 C ATOM 0 H TRP A 385 12.910 -21.216 2.244 1.00 0.00 H new ATOM 0 HA TRP A 385 11.300 -22.559 0.495 1.00 0.00 H new ATOM 0 HB2 TRP A 385 13.064 -22.718 -1.058 1.00 0.00 H new ATOM 0 HB3 TRP A 385 13.157 -21.173 -0.235 1.00 0.00 H new ATOM 0 HD1 TRP A 385 15.288 -20.465 0.647 1.00 0.00 H new ATOM 0 HE1 TRP A 385 17.645 -21.410 1.041 1.00 0.00 H new ATOM 0 HE3 TRP A 385 14.348 -25.381 -0.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 18.931 -23.976 0.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 16.162 -27.051 -0.279 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.455 -26.365 0.382 1.00 0.00 H new ATOM 165 N GLU A 386 12.968 -24.728 2.271 1.00 0.00 N ATOM 166 CA GLU A 386 13.034 -26.177 2.389 1.00 0.00 C ATOM 167 C GLU A 386 11.608 -26.734 2.328 1.00 0.00 C ATOM 168 O GLU A 386 11.293 -27.561 1.472 1.00 0.00 O ATOM 169 CB GLU A 386 13.801 -26.592 3.648 1.00 0.00 C ATOM 170 CG GLU A 386 15.252 -26.099 3.581 1.00 0.00 C ATOM 171 CD GLU A 386 16.062 -26.585 4.776 1.00 0.00 C ATOM 172 OE1 GLU A 386 16.407 -27.786 4.774 1.00 0.00 O ATOM 173 OE2 GLU A 386 16.319 -25.747 5.666 1.00 0.00 O ATOM 0 H GLU A 386 13.338 -24.191 3.055 1.00 0.00 H new ATOM 0 HA GLU A 386 13.597 -26.605 1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 386 13.312 -26.181 4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 386 13.784 -27.677 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 386 15.715 -26.451 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 386 15.266 -25.010 3.549 1.00 0.00 H new ATOM 180 N GLU A 387 10.745 -26.238 3.213 1.00 0.00 N ATOM 181 CA GLU A 387 9.354 -26.636 3.270 1.00 0.00 C ATOM 182 C GLU A 387 8.583 -26.194 2.018 1.00 0.00 C ATOM 183 O GLU A 387 7.884 -27.006 1.424 1.00 0.00 O ATOM 184 CB GLU A 387 8.718 -26.081 4.547 1.00 0.00 C ATOM 185 CG GLU A 387 9.454 -26.508 5.821 1.00 0.00 C ATOM 186 CD GLU A 387 8.664 -26.094 7.054 1.00 0.00 C ATOM 187 OE1 GLU A 387 8.228 -24.925 7.106 1.00 0.00 O ATOM 188 OE2 GLU A 387 8.470 -26.961 7.936 1.00 0.00 O ATOM 0 H GLU A 387 11.002 -25.543 3.914 1.00 0.00 H new ATOM 0 HA GLU A 387 9.303 -27.725 3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 387 8.700 -24.992 4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.682 -26.415 4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.599 -27.588 5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.444 -26.053 5.846 1.00 0.00 H new ATOM 195 N ASP A 388 8.692 -24.922 1.613 1.00 0.00 N ATOM 196 CA ASP A 388 7.986 -24.363 0.459 1.00 0.00 C ATOM 197 C ASP A 388 8.431 -24.944 -0.882 1.00 0.00 C ATOM 198 O ASP A 388 7.593 -25.262 -1.724 1.00 0.00 O ATOM 199 CB ASP A 388 8.125 -22.837 0.414 1.00 0.00 C ATOM 200 CG ASP A 388 7.434 -22.142 1.573 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.275 -22.506 1.858 1.00 0.00 O ATOM 202 OD2 ASP A 388 8.045 -21.202 2.127 1.00 0.00 O ATOM 0 H ASP A 388 9.285 -24.242 2.089 1.00 0.00 H new ATOM 0 HA ASP A 388 6.943 -24.645 0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.183 -22.574 0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 388 7.709 -22.468 -0.523 1.00 0.00 H new ATOM 207 N LYS A 389 9.743 -25.077 -1.102 1.00 0.00 N ATOM 208 CA LYS A 389 10.289 -25.621 -2.339 1.00 0.00 C ATOM 209 C LYS A 389 9.820 -27.078 -2.437 1.00 0.00 C ATOM 210 O LYS A 389 9.391 -27.525 -3.502 1.00 0.00 O ATOM 211 CB LYS A 389 11.822 -25.441 -2.415 1.00 0.00 C ATOM 212 CG LYS A 389 12.351 -25.690 -3.833 1.00 0.00 C ATOM 213 CD LYS A 389 13.880 -25.553 -3.892 1.00 0.00 C ATOM 214 CE LYS A 389 14.596 -26.783 -3.313 1.00 0.00 C ATOM 215 NZ LYS A 389 16.058 -26.595 -3.290 1.00 0.00 N ATOM 0 H LYS A 389 10.454 -24.808 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 389 9.921 -25.077 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.086 -24.432 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.304 -26.129 -1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 389 12.060 -26.688 -4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 389 11.894 -24.981 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 389 14.190 -25.408 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.185 -24.664 -3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 389 14.236 -26.972 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 389 14.350 -27.662 -3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 16.525 -27.467 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 16.317 -25.810 -3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 16.365 -26.375 -2.321 1.00 0.00 H new ATOM 229 N ASN A 390 9.862 -27.814 -1.318 1.00 0.00 N ATOM 230 CA ASN A 390 9.377 -29.185 -1.283 1.00 0.00 C ATOM 231 C ASN A 390 7.857 -29.228 -1.499 1.00 0.00 C ATOM 232 O ASN A 390 7.369 -30.093 -2.220 1.00 0.00 O ATOM 233 CB ASN A 390 9.718 -29.816 0.064 1.00 0.00 C ATOM 234 CG ASN A 390 11.165 -30.288 0.193 1.00 0.00 C ATOM 235 OD1 ASN A 390 12.008 -29.995 -0.652 1.00 0.00 O ATOM 236 ND2 ASN A 390 11.459 -31.039 1.256 1.00 0.00 N ATOM 0 H ASN A 390 10.229 -27.475 -0.429 1.00 0.00 H new ATOM 0 HA ASN A 390 9.860 -29.744 -2.084 1.00 0.00 H new ATOM 0 HB2 ASN A 390 9.513 -29.092 0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.056 -30.665 0.231 1.00 0.00 H new ATOM 0 HD21 ASN A 390 12.408 -31.389 1.386 1.00 0.00 H new ATOM 0 HD22 ASN A 390 10.735 -31.263 1.938 1.00 0.00 H new ATOM 243 N LEU A 391 7.103 -28.312 -0.883 1.00 0.00 N ATOM 244 CA LEU A 391 5.649 -28.221 -0.985 1.00 0.00 C ATOM 245 C LEU A 391 5.244 -28.055 -2.447 1.00 0.00 C ATOM 246 O LEU A 391 4.519 -28.892 -2.982 1.00 0.00 O ATOM 247 CB LEU A 391 5.148 -27.058 -0.108 1.00 0.00 C ATOM 248 CG LEU A 391 3.663 -26.689 -0.247 1.00 0.00 C ATOM 249 CD1 LEU A 391 2.737 -27.774 0.306 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.401 -25.379 0.507 1.00 0.00 C ATOM 0 H LEU A 391 7.504 -27.592 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 391 5.186 -29.138 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.342 -27.308 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 391 5.743 -26.174 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 391 3.448 -26.581 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 391 1.699 -27.464 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 391 2.904 -28.705 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 391 2.947 -27.927 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.349 -25.110 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.650 -25.509 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 391 4.018 -24.586 0.084 1.00 0.00 H new ATOM 262 N ARG A 392 5.714 -26.982 -3.093 1.00 0.00 N ATOM 263 CA ARG A 392 5.403 -26.700 -4.487 1.00 0.00 C ATOM 264 C ARG A 392 5.864 -27.853 -5.385 1.00 0.00 C ATOM 265 O ARG A 392 5.139 -28.245 -6.299 1.00 0.00 O ATOM 266 CB ARG A 392 5.938 -25.321 -4.888 1.00 0.00 C ATOM 267 CG ARG A 392 7.440 -25.288 -5.149 1.00 0.00 C ATOM 268 CD ARG A 392 7.932 -23.844 -5.252 1.00 0.00 C ATOM 269 NE ARG A 392 9.354 -23.815 -5.612 1.00 0.00 N ATOM 270 CZ ARG A 392 10.028 -22.702 -5.934 1.00 0.00 C ATOM 271 NH1 ARG A 392 9.485 -21.492 -5.763 1.00 0.00 N ATOM 272 NH2 ARG A 392 11.232 -22.790 -6.505 1.00 0.00 N ATOM 0 H ARG A 392 6.321 -26.287 -2.658 1.00 0.00 H new ATOM 0 HA ARG A 392 4.323 -26.642 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 392 5.417 -24.988 -5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 392 5.701 -24.608 -4.099 1.00 0.00 H new ATOM 0 HG2 ARG A 392 7.967 -25.802 -4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 392 7.667 -25.823 -6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 392 7.349 -23.307 -6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 392 7.780 -23.332 -4.302 1.00 0.00 H new ATOM 0 HE ARG A 392 9.863 -24.699 -5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 392 8.543 -21.405 -5.382 1.00 0.00 H new ATOM 0 HH12 ARG A 392 10.013 -20.656 -6.014 1.00 0.00 H new ATOM 0 HH21 ARG A 392 11.640 -23.705 -6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 392 11.744 -21.942 -6.749 1.00 0.00 H new ATOM 286 N SER A 393 7.047 -28.427 -5.103 1.00 0.00 N ATOM 287 CA SER A 393 7.551 -29.576 -5.844 1.00 0.00 C ATOM 288 C SER A 393 6.521 -30.702 -5.750 1.00 0.00 C ATOM 289 O SER A 393 6.164 -31.290 -6.763 1.00 0.00 O ATOM 290 CB SER A 393 8.908 -30.034 -5.286 1.00 0.00 C ATOM 291 OG SER A 393 9.322 -31.252 -5.880 1.00 0.00 O ATOM 0 H SER A 393 7.668 -28.105 -4.361 1.00 0.00 H new ATOM 0 HA SER A 393 7.704 -29.301 -6.888 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.658 -29.264 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 393 8.836 -30.159 -4.206 1.00 0.00 H new ATOM 0 HG SER A 393 9.530 -31.904 -5.179 1.00 0.00 H new ATOM 297 N GLY A 394 6.040 -30.990 -4.538 1.00 0.00 N ATOM 298 CA GLY A 394 5.053 -32.016 -4.265 1.00 0.00 C ATOM 299 C GLY A 394 3.759 -31.767 -5.038 1.00 0.00 C ATOM 300 O GLY A 394 3.247 -32.680 -5.684 1.00 0.00 O ATOM 0 H GLY A 394 6.342 -30.495 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 394 5.457 -32.992 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 394 4.840 -32.043 -3.196 1.00 0.00 H new ATOM 304 N VAL A 395 3.250 -30.530 -4.981 1.00 0.00 N ATOM 305 CA VAL A 395 2.042 -30.122 -5.688 1.00 0.00 C ATOM 306 C VAL A 395 2.201 -30.423 -7.179 1.00 0.00 C ATOM 307 O VAL A 395 1.293 -30.970 -7.797 1.00 0.00 O ATOM 308 CB VAL A 395 1.742 -28.631 -5.427 1.00 0.00 C ATOM 309 CG1 VAL A 395 0.658 -28.102 -6.373 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.262 -28.420 -3.987 1.00 0.00 C ATOM 0 H VAL A 395 3.674 -29.780 -4.435 1.00 0.00 H new ATOM 0 HA VAL A 395 1.188 -30.688 -5.317 1.00 0.00 H new ATOM 0 HB VAL A 395 2.671 -28.087 -5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.472 -27.049 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 395 0.991 -28.211 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -0.261 -28.669 -6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.056 -27.362 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 395 0.353 -28.997 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.035 -28.750 -3.294 1.00 0.00 H new ATOM 320 N ARG A 396 3.352 -30.075 -7.761 1.00 0.00 N ATOM 321 CA ARG A 396 3.621 -30.316 -9.170 1.00 0.00 C ATOM 322 C ARG A 396 3.691 -31.825 -9.446 1.00 0.00 C ATOM 323 O ARG A 396 2.960 -32.336 -10.297 1.00 0.00 O ATOM 324 CB ARG A 396 4.907 -29.559 -9.572 1.00 0.00 C ATOM 325 CG ARG A 396 5.002 -29.139 -11.051 1.00 0.00 C ATOM 326 CD ARG A 396 5.566 -30.203 -12.003 1.00 0.00 C ATOM 327 NE ARG A 396 4.636 -31.320 -12.187 1.00 0.00 N ATOM 328 CZ ARG A 396 4.915 -32.489 -12.780 1.00 0.00 C ATOM 329 NH1 ARG A 396 6.009 -32.623 -13.540 1.00 0.00 N ATOM 330 NH2 ARG A 396 4.089 -33.525 -12.583 1.00 0.00 N ATOM 0 H ARG A 396 4.118 -29.620 -7.265 1.00 0.00 H new ATOM 0 HA ARG A 396 2.810 -29.933 -9.789 1.00 0.00 H new ATOM 0 HB2 ARG A 396 4.988 -28.665 -8.954 1.00 0.00 H new ATOM 0 HB3 ARG A 396 5.765 -30.188 -9.337 1.00 0.00 H new ATOM 0 HG2 ARG A 396 4.007 -28.858 -11.396 1.00 0.00 H new ATOM 0 HG3 ARG A 396 5.626 -28.248 -11.119 1.00 0.00 H new ATOM 0 HD2 ARG A 396 5.782 -29.748 -12.969 1.00 0.00 H new ATOM 0 HD3 ARG A 396 6.511 -30.578 -11.609 1.00 0.00 H new ATOM 0 HE ARG A 396 3.688 -31.196 -11.831 1.00 0.00 H new ATOM 0 HH11 ARG A 396 6.639 -31.831 -13.672 1.00 0.00 H new ATOM 0 HH12 ARG A 396 6.213 -33.517 -13.987 1.00 0.00 H new ATOM 0 HH21 ARG A 396 3.266 -33.415 -11.991 1.00 0.00 H new ATOM 0 HH22 ARG A 396 4.283 -34.423 -13.025 1.00 0.00 H new ATOM 344 N LYS A 397 4.586 -32.530 -8.748 1.00 0.00 N ATOM 345 CA LYS A 397 4.845 -33.956 -8.898 1.00 0.00 C ATOM 346 C LYS A 397 3.616 -34.849 -8.740 1.00 0.00 C ATOM 347 O LYS A 397 3.282 -35.591 -9.663 1.00 0.00 O ATOM 348 CB LYS A 397 5.943 -34.410 -7.919 1.00 0.00 C ATOM 349 CG LYS A 397 7.327 -33.811 -8.234 1.00 0.00 C ATOM 350 CD LYS A 397 8.407 -34.890 -8.405 1.00 0.00 C ATOM 351 CE LYS A 397 8.719 -35.591 -7.075 1.00 0.00 C ATOM 352 NZ LYS A 397 9.766 -36.619 -7.225 1.00 0.00 N ATOM 0 H LYS A 397 5.173 -32.099 -8.033 1.00 0.00 H new ATOM 0 HA LYS A 397 5.175 -34.077 -9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 397 5.655 -34.129 -6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 397 6.012 -35.498 -7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 397 7.264 -33.217 -9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 397 7.618 -33.134 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 397 8.074 -35.627 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 397 9.316 -34.437 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 397 9.040 -34.851 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 397 7.811 -36.052 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 9.946 -37.068 -6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 9.450 -37.339 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 10.641 -36.176 -7.571 1.00 0.00 H new ATOM 366 N TYR A 398 2.983 -34.815 -7.566 1.00 0.00 N ATOM 367 CA TYR A 398 1.861 -35.687 -7.237 1.00 0.00 C ATOM 368 C TYR A 398 0.518 -35.091 -7.647 1.00 0.00 C ATOM 369 O TYR A 398 -0.364 -35.826 -8.088 1.00 0.00 O ATOM 370 CB TYR A 398 1.923 -36.027 -5.739 1.00 0.00 C ATOM 371 CG TYR A 398 3.345 -36.226 -5.235 1.00 0.00 C ATOM 372 CD1 TYR A 398 4.221 -37.098 -5.908 1.00 0.00 C ATOM 373 CD2 TYR A 398 3.800 -35.522 -4.106 1.00 0.00 C ATOM 374 CE1 TYR A 398 5.542 -37.257 -5.461 1.00 0.00 C ATOM 375 CE2 TYR A 398 5.122 -35.682 -3.655 1.00 0.00 C ATOM 376 CZ TYR A 398 5.994 -36.549 -4.333 1.00 0.00 C ATOM 377 OH TYR A 398 7.281 -36.703 -3.906 1.00 0.00 O ATOM 0 H TYR A 398 3.239 -34.176 -6.813 1.00 0.00 H new ATOM 0 HA TYR A 398 1.946 -36.608 -7.813 1.00 0.00 H new ATOM 0 HB2 TYR A 398 1.450 -35.227 -5.170 1.00 0.00 H new ATOM 0 HB3 TYR A 398 1.347 -36.933 -5.553 1.00 0.00 H new ATOM 0 HD1 TYR A 398 3.876 -37.647 -6.772 1.00 0.00 H new ATOM 0 HD2 TYR A 398 3.131 -34.855 -3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 398 6.212 -37.924 -5.984 1.00 0.00 H new ATOM 0 HE2 TYR A 398 5.467 -35.138 -2.788 1.00 0.00 H new ATOM 0 HH TYR A 398 7.433 -36.143 -3.116 1.00 0.00 H new ATOM 387 N GLY A 399 0.371 -33.771 -7.501 1.00 0.00 N ATOM 388 CA GLY A 399 -0.845 -33.042 -7.826 1.00 0.00 C ATOM 389 C GLY A 399 -1.284 -32.213 -6.621 1.00 0.00 C ATOM 390 O GLY A 399 -0.904 -32.504 -5.486 1.00 0.00 O ATOM 0 H GLY A 399 1.115 -33.171 -7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.673 -32.392 -8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.634 -33.739 -8.108 1.00 0.00 H new ATOM 394 N GLU A 400 -2.091 -31.177 -6.866 1.00 0.00 N ATOM 395 CA GLU A 400 -2.603 -30.327 -5.802 1.00 0.00 C ATOM 396 C GLU A 400 -3.697 -31.101 -5.061 1.00 0.00 C ATOM 397 O GLU A 400 -4.330 -31.989 -5.634 1.00 0.00 O ATOM 398 CB GLU A 400 -3.093 -28.993 -6.387 1.00 0.00 C ATOM 399 CG GLU A 400 -3.132 -27.890 -5.318 1.00 0.00 C ATOM 400 CD GLU A 400 -3.327 -26.504 -5.925 1.00 0.00 C ATOM 401 OE1 GLU A 400 -2.452 -26.100 -6.724 1.00 0.00 O ATOM 402 OE2 GLU A 400 -4.314 -25.839 -5.546 1.00 0.00 O ATOM 0 H GLU A 400 -2.402 -30.910 -7.800 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.824 -30.073 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.436 -28.689 -7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.088 -29.125 -6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.941 -28.095 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.204 -27.907 -4.747 1.00 0.00 H new ATOM 409 N GLY A 401 -3.910 -30.785 -3.783 1.00 0.00 N ATOM 410 CA GLY A 401 -4.904 -31.468 -2.972 1.00 0.00 C ATOM 411 C GLY A 401 -4.471 -32.893 -2.634 1.00 0.00 C ATOM 412 O GLY A 401 -5.292 -33.806 -2.626 1.00 0.00 O ATOM 0 H GLY A 401 -3.400 -30.053 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.069 -30.909 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -5.855 -31.493 -3.505 1.00 0.00 H new ATOM 416 N ASN A 402 -3.176 -33.079 -2.348 1.00 0.00 N ATOM 417 CA ASN A 402 -2.558 -34.348 -1.980 1.00 0.00 C ATOM 418 C ASN A 402 -1.613 -34.049 -0.815 1.00 0.00 C ATOM 419 O ASN A 402 -0.504 -34.570 -0.749 1.00 0.00 O ATOM 420 CB ASN A 402 -1.776 -34.938 -3.170 1.00 0.00 C ATOM 421 CG ASN A 402 -2.590 -35.293 -4.416 1.00 0.00 C ATOM 422 OD1 ASN A 402 -2.027 -35.389 -5.503 1.00 0.00 O ATOM 423 ND2 ASN A 402 -3.895 -35.528 -4.291 1.00 0.00 N ATOM 0 H ASN A 402 -2.505 -32.311 -2.369 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.312 -35.082 -1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -1.005 -34.224 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -1.265 -35.838 -2.829 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -4.446 -35.793 -5.107 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -4.343 -35.443 -3.379 1.00 0.00 H new ATOM 430 N TRP A 403 -2.056 -33.180 0.095 1.00 0.00 N ATOM 431 CA TRP A 403 -1.329 -32.701 1.262 1.00 0.00 C ATOM 432 C TRP A 403 -0.740 -33.832 2.092 1.00 0.00 C ATOM 433 O TRP A 403 0.415 -33.764 2.503 1.00 0.00 O ATOM 434 CB TRP A 403 -2.269 -31.812 2.081 1.00 0.00 C ATOM 435 CG TRP A 403 -3.023 -30.838 1.233 1.00 0.00 C ATOM 436 CD1 TRP A 403 -4.367 -30.716 1.172 1.00 0.00 C ATOM 437 CD2 TRP A 403 -2.485 -29.866 0.290 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.701 -29.740 0.256 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.578 -29.185 -0.317 1.00 0.00 C ATOM 440 CE3 TRP A 403 -1.187 -29.496 -0.123 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -3.395 -28.190 -1.287 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.990 -28.498 -1.091 1.00 0.00 C ATOM 443 CH2 TRP A 403 -2.090 -27.851 -1.671 1.00 0.00 C ATOM 0 H TRP A 403 -2.988 -32.770 0.029 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.469 -32.119 0.932 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.976 -32.440 2.623 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.690 -31.267 2.827 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -5.072 -31.294 1.751 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.657 -29.465 0.032 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -0.331 -29.989 0.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -4.245 -27.693 -1.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.012 -28.228 -1.390 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.931 -27.087 -2.418 1.00 0.00 H new ATOM 454 N SER A 404 -1.527 -34.877 2.330 1.00 0.00 N ATOM 455 CA SER A 404 -1.082 -36.032 3.100 1.00 0.00 C ATOM 456 C SER A 404 0.109 -36.724 2.425 1.00 0.00 C ATOM 457 O SER A 404 1.066 -37.120 3.089 1.00 0.00 O ATOM 458 CB SER A 404 -2.264 -36.982 3.320 1.00 0.00 C ATOM 459 OG SER A 404 -3.016 -37.167 2.132 1.00 0.00 O ATOM 0 H SER A 404 -2.488 -34.946 1.995 1.00 0.00 H new ATOM 0 HA SER A 404 -0.727 -35.702 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 404 -1.896 -37.946 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 404 -2.911 -36.583 4.102 1.00 0.00 H new ATOM 0 HG SER A 404 -3.952 -37.345 2.362 1.00 0.00 H new ATOM 465 N LYS A 405 0.050 -36.863 1.098 1.00 0.00 N ATOM 466 CA LYS A 405 1.086 -37.498 0.298 1.00 0.00 C ATOM 467 C LYS A 405 2.333 -36.614 0.335 1.00 0.00 C ATOM 468 O LYS A 405 3.422 -37.088 0.652 1.00 0.00 O ATOM 469 CB LYS A 405 0.616 -37.725 -1.152 1.00 0.00 C ATOM 470 CG LYS A 405 -0.573 -38.689 -1.342 1.00 0.00 C ATOM 471 CD LYS A 405 -1.854 -38.224 -0.635 1.00 0.00 C ATOM 472 CE LYS A 405 -3.119 -38.957 -1.082 1.00 0.00 C ATOM 473 NZ LYS A 405 -4.290 -38.484 -0.314 1.00 0.00 N ATOM 0 H LYS A 405 -0.738 -36.528 0.544 1.00 0.00 H new ATOM 0 HA LYS A 405 1.314 -38.480 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.345 -36.759 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 405 1.459 -38.104 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -0.775 -38.800 -2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -0.296 -39.674 -0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -1.731 -38.357 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -1.985 -37.156 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -3.285 -38.793 -2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -2.994 -40.031 -0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -4.893 -39.294 -0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -3.968 -38.013 0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -4.835 -37.811 -0.891 1.00 0.00 H new ATOM 487 N ILE A 406 2.163 -35.326 0.022 1.00 0.00 N ATOM 488 CA ILE A 406 3.228 -34.333 0.016 1.00 0.00 C ATOM 489 C ILE A 406 3.951 -34.355 1.363 1.00 0.00 C ATOM 490 O ILE A 406 5.176 -34.399 1.391 1.00 0.00 O ATOM 491 CB ILE A 406 2.656 -32.946 -0.339 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.167 -32.957 -1.800 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.731 -31.864 -0.160 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.282 -31.768 -2.177 1.00 0.00 C ATOM 0 H ILE A 406 1.256 -34.941 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 406 3.965 -34.571 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 406 1.822 -32.722 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.034 -32.974 -2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.613 -33.878 -1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.313 -30.890 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 406 4.069 -31.855 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.576 -32.078 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 406 0.982 -31.854 -3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.394 -31.760 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 406 1.838 -30.841 -2.034 1.00 0.00 H new ATOM 506 N LEU A 407 3.198 -34.343 2.467 1.00 0.00 N ATOM 507 CA LEU A 407 3.733 -34.388 3.820 1.00 0.00 C ATOM 508 C LEU A 407 4.513 -35.687 4.044 1.00 0.00 C ATOM 509 O LEU A 407 5.592 -35.662 4.633 1.00 0.00 O ATOM 510 CB LEU A 407 2.577 -34.247 4.820 1.00 0.00 C ATOM 511 CG LEU A 407 2.991 -34.350 6.298 1.00 0.00 C ATOM 512 CD1 LEU A 407 3.968 -33.239 6.706 1.00 0.00 C ATOM 513 CD2 LEU A 407 1.730 -34.280 7.166 1.00 0.00 C ATOM 0 H LEU A 407 2.179 -34.301 2.438 1.00 0.00 H new ATOM 0 HA LEU A 407 4.429 -33.563 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 407 2.090 -33.285 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 407 1.836 -35.018 4.609 1.00 0.00 H new ATOM 0 HG LEU A 407 3.507 -35.299 6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 407 4.231 -33.354 7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 407 4.870 -33.306 6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 407 3.498 -32.267 6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 407 2.008 -34.352 8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 407 1.219 -33.334 6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 407 1.065 -35.105 6.909 1.00 0.00 H new ATOM 525 N LEU A 408 3.978 -36.826 3.585 1.00 0.00 N ATOM 526 CA LEU A 408 4.631 -38.119 3.746 1.00 0.00 C ATOM 527 C LEU A 408 5.993 -38.126 3.052 1.00 0.00 C ATOM 528 O LEU A 408 6.997 -38.486 3.667 1.00 0.00 O ATOM 529 CB LEU A 408 3.697 -39.237 3.251 1.00 0.00 C ATOM 530 CG LEU A 408 4.242 -40.660 3.476 1.00 0.00 C ATOM 531 CD1 LEU A 408 3.065 -41.628 3.660 1.00 0.00 C ATOM 532 CD2 LEU A 408 5.087 -41.160 2.295 1.00 0.00 C ATOM 0 H LEU A 408 3.085 -36.871 3.095 1.00 0.00 H new ATOM 0 HA LEU A 408 4.827 -38.305 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 408 2.736 -39.144 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 408 3.511 -39.095 2.186 1.00 0.00 H new ATOM 0 HG LEU A 408 4.877 -40.624 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 408 3.445 -42.637 3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 408 2.474 -41.322 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 408 2.439 -41.613 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 408 5.446 -42.167 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 408 4.477 -41.173 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 408 5.938 -40.494 2.149 1.00 0.00 H new ATOM 544 N HIS A 409 6.026 -37.731 1.775 1.00 0.00 N ATOM 545 CA HIS A 409 7.244 -37.689 0.978 1.00 0.00 C ATOM 546 C HIS A 409 8.226 -36.659 1.539 1.00 0.00 C ATOM 547 O HIS A 409 9.369 -36.991 1.848 1.00 0.00 O ATOM 548 CB HIS A 409 6.894 -37.375 -0.483 1.00 0.00 C ATOM 549 CG HIS A 409 6.037 -38.428 -1.141 1.00 0.00 C ATOM 550 ND1 HIS A 409 6.457 -39.739 -1.297 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.779 -38.384 -1.692 1.00 0.00 C ATOM 552 CE1 HIS A 409 5.467 -40.406 -1.914 1.00 0.00 C ATOM 553 NE2 HIS A 409 4.413 -39.634 -2.183 1.00 0.00 N ATOM 0 H HIS A 409 5.196 -37.429 1.265 1.00 0.00 H new ATOM 0 HA HIS A 409 7.729 -38.664 1.021 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.374 -36.418 -0.525 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.817 -37.262 -1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 409 4.159 -37.501 -1.738 1.00 0.00 H new ATOM 0 HE1 HIS A 409 5.519 -41.455 -2.165 1.00 0.00 H new ATOM 0 HE2 HIS A 409 3.541 -39.898 -2.642 1.00 0.00 H new ATOM 561 N TYR A 410 7.770 -35.411 1.661 1.00 0.00 N ATOM 562 CA TYR A 410 8.529 -34.282 2.161 1.00 0.00 C ATOM 563 C TYR A 410 8.034 -33.923 3.563 1.00 0.00 C ATOM 564 O TYR A 410 7.074 -33.172 3.719 1.00 0.00 O ATOM 565 CB TYR A 410 8.345 -33.090 1.221 1.00 0.00 C ATOM 566 CG TYR A 410 8.804 -33.240 -0.220 1.00 0.00 C ATOM 567 CD1 TYR A 410 10.139 -33.572 -0.519 1.00 0.00 C ATOM 568 CD2 TYR A 410 7.893 -33.018 -1.271 1.00 0.00 C ATOM 569 CE1 TYR A 410 10.559 -33.675 -1.857 1.00 0.00 C ATOM 570 CE2 TYR A 410 8.315 -33.120 -2.608 1.00 0.00 C ATOM 571 CZ TYR A 410 9.648 -33.443 -2.903 1.00 0.00 C ATOM 572 OH TYR A 410 10.055 -33.526 -4.203 1.00 0.00 O ATOM 0 H TYR A 410 6.817 -35.157 1.400 1.00 0.00 H new ATOM 0 HA TYR A 410 9.587 -34.539 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.285 -32.835 1.209 1.00 0.00 H new ATOM 0 HB3 TYR A 410 8.873 -32.240 1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.842 -33.748 0.281 1.00 0.00 H new ATOM 0 HD2 TYR A 410 6.866 -32.768 -1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 410 11.583 -33.933 -2.082 1.00 0.00 H new ATOM 0 HE2 TYR A 410 7.612 -32.949 -3.410 1.00 0.00 H new ATOM 0 HH TYR A 410 10.088 -34.467 -4.476 1.00 0.00 H new ATOM 582 N LYS A 411 8.696 -34.462 4.588 1.00 0.00 N ATOM 583 CA LYS A 411 8.345 -34.225 5.980 1.00 0.00 C ATOM 584 C LYS A 411 8.777 -32.819 6.409 1.00 0.00 C ATOM 585 O LYS A 411 9.949 -32.467 6.285 1.00 0.00 O ATOM 586 CB LYS A 411 8.977 -35.322 6.843 1.00 0.00 C ATOM 587 CG LYS A 411 8.383 -36.687 6.457 1.00 0.00 C ATOM 588 CD LYS A 411 8.975 -37.820 7.298 1.00 0.00 C ATOM 589 CE LYS A 411 8.376 -39.154 6.836 1.00 0.00 C ATOM 590 NZ LYS A 411 8.907 -40.293 7.608 1.00 0.00 N ATOM 0 H LYS A 411 9.498 -35.081 4.469 1.00 0.00 H new ATOM 0 HA LYS A 411 7.264 -34.270 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.058 -35.332 6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 411 8.794 -35.120 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 411 7.301 -36.663 6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 411 8.572 -36.881 5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.060 -37.839 7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 411 8.759 -37.657 8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 411 7.291 -39.120 6.939 1.00 0.00 H new ATOM 0 HE3 LYS A 411 8.591 -39.301 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 8.477 -41.176 7.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 9.939 -40.342 7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 8.680 -40.166 8.615 1.00 0.00 H new ATOM 604 N PHE A 412 7.821 -32.022 6.903 1.00 0.00 N ATOM 605 CA PHE A 412 8.017 -30.646 7.351 1.00 0.00 C ATOM 606 C PHE A 412 8.043 -30.560 8.881 1.00 0.00 C ATOM 607 O PHE A 412 7.864 -31.565 9.568 1.00 0.00 O ATOM 608 CB PHE A 412 6.885 -29.782 6.776 1.00 0.00 C ATOM 609 CG PHE A 412 6.731 -29.758 5.266 1.00 0.00 C ATOM 610 CD1 PHE A 412 7.823 -30.029 4.421 1.00 0.00 C ATOM 611 CD2 PHE A 412 5.479 -29.451 4.700 1.00 0.00 C ATOM 612 CE1 PHE A 412 7.659 -29.998 3.031 1.00 0.00 C ATOM 613 CE2 PHE A 412 5.322 -29.416 3.305 1.00 0.00 C ATOM 614 CZ PHE A 412 6.411 -29.691 2.467 1.00 0.00 C ATOM 0 H PHE A 412 6.855 -32.334 7.004 1.00 0.00 H new ATOM 0 HA PHE A 412 8.980 -30.281 6.994 1.00 0.00 H new ATOM 0 HB2 PHE A 412 5.945 -30.127 7.206 1.00 0.00 H new ATOM 0 HB3 PHE A 412 7.035 -28.758 7.117 1.00 0.00 H new ATOM 0 HD1 PHE A 412 8.789 -30.261 4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 412 4.636 -29.242 5.341 1.00 0.00 H new ATOM 0 HE1 PHE A 412 8.500 -30.212 2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 412 4.360 -29.177 2.877 1.00 0.00 H new ATOM 0 HZ PHE A 412 6.291 -29.667 1.394 1.00 0.00 H new ATOM 624 N ASN A 413 8.263 -29.351 9.414 1.00 0.00 N ATOM 625 CA ASN A 413 8.334 -29.087 10.848 1.00 0.00 C ATOM 626 C ASN A 413 6.942 -29.092 11.485 1.00 0.00 C ATOM 627 O ASN A 413 6.445 -28.051 11.911 1.00 0.00 O ATOM 628 CB ASN A 413 9.060 -27.758 11.114 1.00 0.00 C ATOM 629 CG ASN A 413 10.518 -27.788 10.662 1.00 0.00 C ATOM 630 OD1 ASN A 413 11.407 -28.099 11.450 1.00 0.00 O ATOM 631 ND2 ASN A 413 10.772 -27.456 9.398 1.00 0.00 N ATOM 0 H ASN A 413 8.399 -28.516 8.845 1.00 0.00 H new ATOM 0 HA ASN A 413 8.907 -29.890 11.312 1.00 0.00 H new ATOM 0 HB2 ASN A 413 8.539 -26.953 10.596 1.00 0.00 H new ATOM 0 HB3 ASN A 413 9.018 -27.531 12.179 1.00 0.00 H new ATOM 0 HD21 ASN A 413 11.732 -27.454 9.054 1.00 0.00 H new ATOM 0 HD22 ASN A 413 10.006 -27.203 8.773 1.00 0.00 H new ATOM 638 N ASN A 414 6.324 -30.277 11.554 1.00 0.00 N ATOM 639 CA ASN A 414 5.009 -30.517 12.138 1.00 0.00 C ATOM 640 C ASN A 414 3.925 -29.676 11.457 1.00 0.00 C ATOM 641 O ASN A 414 3.353 -28.768 12.059 1.00 0.00 O ATOM 642 CB ASN A 414 5.064 -30.327 13.664 1.00 0.00 C ATOM 643 CG ASN A 414 3.854 -30.939 14.368 1.00 0.00 C ATOM 644 OD1 ASN A 414 3.961 -31.998 14.980 1.00 0.00 O ATOM 645 ND2 ASN A 414 2.697 -30.282 14.292 1.00 0.00 N ATOM 0 H ASN A 414 6.749 -31.128 11.187 1.00 0.00 H new ATOM 0 HA ASN A 414 4.725 -31.553 11.956 1.00 0.00 H new ATOM 0 HB2 ASN A 414 5.976 -30.781 14.052 1.00 0.00 H new ATOM 0 HB3 ASN A 414 5.116 -29.263 13.894 1.00 0.00 H new ATOM 0 HD21 ASN A 414 1.867 -30.657 14.750 1.00 0.00 H new ATOM 0 HD22 ASN A 414 2.642 -29.404 13.775 1.00 0.00 H new ATOM 652 N ARG A 415 3.644 -29.993 10.190 1.00 0.00 N ATOM 653 CA ARG A 415 2.639 -29.332 9.372 1.00 0.00 C ATOM 654 C ARG A 415 1.501 -30.313 9.111 1.00 0.00 C ATOM 655 O ARG A 415 1.729 -31.402 8.590 1.00 0.00 O ATOM 656 CB ARG A 415 3.237 -28.929 8.022 1.00 0.00 C ATOM 657 CG ARG A 415 3.981 -27.595 8.006 1.00 0.00 C ATOM 658 CD ARG A 415 5.068 -27.458 9.060 1.00 0.00 C ATOM 659 NE ARG A 415 5.867 -26.256 8.789 1.00 0.00 N ATOM 660 CZ ARG A 415 5.530 -25.007 9.152 1.00 0.00 C ATOM 661 NH1 ARG A 415 4.407 -24.790 9.849 1.00 0.00 N ATOM 662 NH2 ARG A 415 6.321 -23.989 8.805 1.00 0.00 N ATOM 0 H ARG A 415 4.129 -30.742 9.695 1.00 0.00 H new ATOM 0 HA ARG A 415 2.282 -28.444 9.894 1.00 0.00 H new ATOM 0 HB2 ARG A 415 3.923 -29.712 7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.434 -28.886 7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 415 4.429 -27.457 7.022 1.00 0.00 H new ATOM 0 HG3 ARG A 415 3.258 -26.790 8.143 1.00 0.00 H new ATOM 0 HD2 ARG A 415 4.621 -27.394 10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 415 5.707 -28.341 9.055 1.00 0.00 H new ATOM 0 HE ARG A 415 6.746 -26.379 8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.806 -25.574 10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 415 4.153 -23.841 10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 415 7.171 -24.163 8.270 1.00 0.00 H new ATOM 0 HH22 ARG A 415 6.075 -23.037 9.075 1.00 0.00 H new ATOM 676 N THR A 416 0.282 -29.907 9.455 1.00 0.00 N ATOM 677 CA THR A 416 -0.932 -30.678 9.242 1.00 0.00 C ATOM 678 C THR A 416 -1.385 -30.526 7.785 1.00 0.00 C ATOM 679 O THR A 416 -0.929 -29.626 7.080 1.00 0.00 O ATOM 680 CB THR A 416 -2.027 -30.134 10.171 1.00 0.00 C ATOM 681 OG1 THR A 416 -2.313 -28.793 9.817 1.00 0.00 O ATOM 682 CG2 THR A 416 -1.608 -30.198 11.644 1.00 0.00 C ATOM 0 H THR A 416 0.110 -29.006 9.902 1.00 0.00 H new ATOM 0 HA THR A 416 -0.746 -31.731 9.455 1.00 0.00 H new ATOM 0 HB THR A 416 -2.914 -30.757 10.051 1.00 0.00 H new ATOM 0 HG1 THR A 416 -1.671 -28.195 10.254 1.00 0.00 H new ATOM 0 HG21 THR A 416 -2.410 -29.804 12.268 1.00 0.00 H new ATOM 0 HG22 THR A 416 -1.408 -31.233 11.921 1.00 0.00 H new ATOM 0 HG23 THR A 416 -0.707 -29.602 11.792 1.00 0.00 H new ATOM 690 N SER A 417 -2.315 -31.379 7.337 1.00 0.00 N ATOM 691 CA SER A 417 -2.884 -31.308 5.992 1.00 0.00 C ATOM 692 C SER A 417 -3.367 -29.872 5.726 1.00 0.00 C ATOM 693 O SER A 417 -3.120 -29.299 4.663 1.00 0.00 O ATOM 694 CB SER A 417 -4.032 -32.322 5.888 1.00 0.00 C ATOM 695 OG SER A 417 -4.657 -32.243 4.625 1.00 0.00 O ATOM 0 H SER A 417 -2.693 -32.139 7.902 1.00 0.00 H new ATOM 0 HA SER A 417 -2.137 -31.557 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 417 -3.649 -33.330 6.047 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.764 -32.132 6.673 1.00 0.00 H new ATOM 0 HG SER A 417 -5.384 -32.898 4.578 1.00 0.00 H new ATOM 701 N VAL A 418 -4.032 -29.292 6.734 1.00 0.00 N ATOM 702 CA VAL A 418 -4.540 -27.930 6.725 1.00 0.00 C ATOM 703 C VAL A 418 -3.384 -26.952 6.487 1.00 0.00 C ATOM 704 O VAL A 418 -3.485 -26.108 5.603 1.00 0.00 O ATOM 705 CB VAL A 418 -5.271 -27.647 8.051 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.751 -26.196 8.126 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.489 -28.563 8.228 1.00 0.00 C ATOM 0 H VAL A 418 -4.234 -29.783 7.605 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.257 -27.799 5.914 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.549 -27.838 8.845 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -6.262 -26.031 9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.895 -25.525 8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.438 -25.997 7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.981 -28.336 9.174 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -7.188 -28.401 7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -6.165 -29.604 8.228 1.00 0.00 H new ATOM 717 N MET A 419 -2.296 -27.068 7.263 1.00 0.00 N ATOM 718 CA MET A 419 -1.121 -26.205 7.147 1.00 0.00 C ATOM 719 C MET A 419 -0.610 -26.170 5.705 1.00 0.00 C ATOM 720 O MET A 419 -0.407 -25.093 5.147 1.00 0.00 O ATOM 721 CB MET A 419 0.000 -26.689 8.089 1.00 0.00 C ATOM 722 CG MET A 419 0.384 -25.728 9.222 1.00 0.00 C ATOM 723 SD MET A 419 -0.520 -25.895 10.787 1.00 0.00 S ATOM 724 CE MET A 419 -2.194 -25.429 10.294 1.00 0.00 C ATOM 0 H MET A 419 -2.211 -27.773 7.995 1.00 0.00 H new ATOM 0 HA MET A 419 -1.416 -25.196 7.436 1.00 0.00 H new ATOM 0 HB2 MET A 419 -0.307 -27.637 8.531 1.00 0.00 H new ATOM 0 HB3 MET A 419 0.889 -26.889 7.491 1.00 0.00 H new ATOM 0 HG2 MET A 419 1.446 -25.856 9.429 1.00 0.00 H new ATOM 0 HG3 MET A 419 0.250 -24.708 8.861 1.00 0.00 H new ATOM 0 HE1 MET A 419 -2.761 -25.125 11.174 1.00 0.00 H new ATOM 0 HE2 MET A 419 -2.148 -24.600 9.588 1.00 0.00 H new ATOM 0 HE3 MET A 419 -2.685 -26.281 9.823 1.00 0.00 H new ATOM 734 N LEU A 420 -0.396 -27.345 5.095 1.00 0.00 N ATOM 735 CA LEU A 420 0.090 -27.410 3.719 1.00 0.00 C ATOM 736 C LEU A 420 -0.875 -26.684 2.784 1.00 0.00 C ATOM 737 O LEU A 420 -0.453 -25.854 1.978 1.00 0.00 O ATOM 738 CB LEU A 420 0.269 -28.854 3.235 1.00 0.00 C ATOM 739 CG LEU A 420 1.537 -29.544 3.756 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.318 -30.188 5.119 1.00 0.00 C ATOM 741 CD2 LEU A 420 1.988 -30.628 2.779 1.00 0.00 C ATOM 0 H LEU A 420 -0.552 -28.253 5.533 1.00 0.00 H new ATOM 0 HA LEU A 420 1.066 -26.925 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.599 -29.437 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.289 -28.859 2.145 1.00 0.00 H new ATOM 0 HG LEU A 420 2.300 -28.772 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 420 2.241 -30.664 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 420 1.026 -29.424 5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 420 0.530 -30.937 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 420 2.888 -31.110 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 420 1.198 -31.371 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.200 -30.178 1.809 1.00 0.00 H new ATOM 753 N LYS A 421 -2.169 -27.005 2.899 1.00 0.00 N ATOM 754 CA LYS A 421 -3.211 -26.403 2.089 1.00 0.00 C ATOM 755 C LYS A 421 -3.167 -24.878 2.181 1.00 0.00 C ATOM 756 O LYS A 421 -2.911 -24.212 1.179 1.00 0.00 O ATOM 757 CB LYS A 421 -4.575 -26.943 2.537 1.00 0.00 C ATOM 758 CG LYS A 421 -5.743 -26.327 1.756 1.00 0.00 C ATOM 759 CD LYS A 421 -7.037 -26.388 2.572 1.00 0.00 C ATOM 760 CE LYS A 421 -7.087 -25.398 3.746 1.00 0.00 C ATOM 761 NZ LYS A 421 -8.435 -25.353 4.344 1.00 0.00 N ATOM 0 H LYS A 421 -2.515 -27.696 3.565 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.048 -26.668 1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.591 -28.026 2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.709 -26.743 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -5.513 -25.291 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.877 -26.859 0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -7.881 -26.193 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -7.163 -27.399 2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -6.359 -25.690 4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -6.806 -24.403 3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -8.442 -24.677 5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -9.124 -25.052 3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -8.691 -26.298 4.695 1.00 0.00 H new ATOM 775 N ASP A 422 -3.439 -24.320 3.366 1.00 0.00 N ATOM 776 CA ASP A 422 -3.470 -22.879 3.558 1.00 0.00 C ATOM 777 C ASP A 422 -2.166 -22.206 3.125 1.00 0.00 C ATOM 778 O ASP A 422 -2.222 -21.148 2.500 1.00 0.00 O ATOM 779 CB ASP A 422 -3.982 -22.485 4.951 1.00 0.00 C ATOM 780 CG ASP A 422 -3.120 -22.961 6.115 1.00 0.00 C ATOM 781 OD1 ASP A 422 -1.910 -22.664 6.097 1.00 0.00 O ATOM 782 OD2 ASP A 422 -3.707 -23.569 7.037 1.00 0.00 O ATOM 0 H ASP A 422 -3.642 -24.857 4.209 1.00 0.00 H new ATOM 0 HA ASP A 422 -4.217 -22.472 2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -4.061 -21.399 4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -4.988 -22.884 5.077 1.00 0.00 H new ATOM 787 N ARG A 423 -1.005 -22.812 3.410 1.00 0.00 N ATOM 788 CA ARG A 423 0.271 -22.253 2.989 1.00 0.00 C ATOM 789 C ARG A 423 0.286 -22.118 1.468 1.00 0.00 C ATOM 790 O ARG A 423 0.631 -21.055 0.953 1.00 0.00 O ATOM 791 CB ARG A 423 1.449 -23.110 3.470 1.00 0.00 C ATOM 792 CG ARG A 423 2.803 -22.607 2.934 1.00 0.00 C ATOM 793 CD ARG A 423 3.151 -21.203 3.444 1.00 0.00 C ATOM 794 NE ARG A 423 4.491 -20.786 3.000 1.00 0.00 N ATOM 795 CZ ARG A 423 4.904 -19.516 2.844 1.00 0.00 C ATOM 796 NH1 ARG A 423 4.114 -18.493 3.185 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.121 -19.257 2.353 1.00 0.00 N ATOM 0 H ARG A 423 -0.931 -23.687 3.929 1.00 0.00 H new ATOM 0 HA ARG A 423 0.385 -21.268 3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 423 1.471 -23.112 4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.297 -24.142 3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 423 3.588 -23.303 3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 423 2.778 -22.599 1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 423 2.409 -20.490 3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 423 3.106 -21.189 4.533 1.00 0.00 H new ATOM 0 HE ARG A 423 5.164 -21.524 2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 423 3.186 -18.671 3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 423 4.439 -17.534 3.062 1.00 0.00 H new ATOM 0 HH21 ARG A 423 6.741 -20.025 2.095 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.429 -18.292 2.237 1.00 0.00 H new ATOM 811 N TRP A 424 -0.086 -23.185 0.747 1.00 0.00 N ATOM 812 CA TRP A 424 -0.102 -23.144 -0.700 1.00 0.00 C ATOM 813 C TRP A 424 -1.108 -22.115 -1.207 1.00 0.00 C ATOM 814 O TRP A 424 -0.815 -21.428 -2.181 1.00 0.00 O ATOM 815 CB TRP A 424 -0.362 -24.524 -1.297 1.00 0.00 C ATOM 816 CG TRP A 424 -0.264 -24.541 -2.790 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.260 -24.877 -3.635 1.00 0.00 C ATOM 818 CD2 TRP A 424 0.875 -24.200 -3.637 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.825 -24.784 -4.938 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.486 -24.362 -5.001 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.196 -23.765 -3.397 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.361 -24.110 -6.067 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.078 -23.505 -4.460 1.00 0.00 C ATOM 824 CH2 TRP A 424 2.666 -23.675 -5.792 1.00 0.00 C ATOM 0 H TRP A 424 -0.376 -24.076 1.150 1.00 0.00 H new ATOM 0 HA TRP A 424 0.888 -22.832 -1.034 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.354 -25.234 -0.883 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.355 -24.862 -0.999 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.253 -25.175 -3.334 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -1.399 -25.000 -5.753 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.535 -23.630 -2.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 1.034 -24.249 -7.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.083 -23.171 -4.250 1.00 0.00 H new ATOM 0 HH2 TRP A 424 3.351 -23.472 -6.601 1.00 0.00 H new ATOM 835 N ARG A 425 -2.276 -21.984 -0.566 1.00 0.00 N ATOM 836 CA ARG A 425 -3.254 -20.990 -0.990 1.00 0.00 C ATOM 837 C ARG A 425 -2.629 -19.595 -0.885 1.00 0.00 C ATOM 838 O ARG A 425 -2.676 -18.837 -1.852 1.00 0.00 O ATOM 839 CB ARG A 425 -4.563 -21.091 -0.194 1.00 0.00 C ATOM 840 CG ARG A 425 -5.310 -22.403 -0.484 1.00 0.00 C ATOM 841 CD ARG A 425 -6.755 -22.388 0.031 1.00 0.00 C ATOM 842 NE ARG A 425 -6.838 -22.048 1.459 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.980 -21.751 2.103 1.00 0.00 C ATOM 844 NH1 ARG A 425 -9.160 -21.876 1.486 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.937 -21.323 3.373 1.00 0.00 N ATOM 0 H ARG A 425 -2.559 -22.547 0.236 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.522 -21.183 -2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.346 -21.025 0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -5.205 -20.245 -0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.314 -22.584 -1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -4.773 -23.232 -0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.336 -21.668 -0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -7.207 -23.366 -0.134 1.00 0.00 H new ATOM 0 HE ARG A 425 -5.971 -22.037 1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -9.198 -22.199 0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -10.022 -21.648 1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -7.040 -21.224 3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -8.802 -21.097 3.864 1.00 0.00 H new ATOM 859 N THR A 426 -2.029 -19.266 0.268 1.00 0.00 N ATOM 860 CA THR A 426 -1.373 -17.982 0.484 1.00 0.00 C ATOM 861 C THR A 426 -0.307 -17.747 -0.588 1.00 0.00 C ATOM 862 O THR A 426 -0.367 -16.752 -1.306 1.00 0.00 O ATOM 863 CB THR A 426 -0.752 -17.919 1.893 1.00 0.00 C ATOM 864 OG1 THR A 426 -1.754 -18.064 2.878 1.00 0.00 O ATOM 865 CG2 THR A 426 -0.036 -16.585 2.135 1.00 0.00 C ATOM 0 H THR A 426 -1.989 -19.889 1.075 1.00 0.00 H new ATOM 0 HA THR A 426 -2.121 -17.192 0.409 1.00 0.00 H new ATOM 0 HB THR A 426 -0.029 -18.732 1.959 1.00 0.00 H new ATOM 0 HG1 THR A 426 -2.045 -18.999 2.913 1.00 0.00 H new ATOM 0 HG21 THR A 426 0.389 -16.577 3.139 1.00 0.00 H new ATOM 0 HG22 THR A 426 0.761 -16.462 1.402 1.00 0.00 H new ATOM 0 HG23 THR A 426 -0.749 -15.766 2.037 1.00 0.00 H new ATOM 873 N MET A 427 0.668 -18.659 -0.689 1.00 0.00 N ATOM 874 CA MET A 427 1.765 -18.559 -1.639 1.00 0.00 C ATOM 875 C MET A 427 1.259 -18.412 -3.073 1.00 0.00 C ATOM 876 O MET A 427 1.555 -17.409 -3.721 1.00 0.00 O ATOM 877 CB MET A 427 2.714 -19.757 -1.463 1.00 0.00 C ATOM 878 CG MET A 427 3.966 -19.675 -2.352 1.00 0.00 C ATOM 879 SD MET A 427 3.728 -20.158 -4.087 1.00 0.00 S ATOM 880 CE MET A 427 4.249 -18.650 -4.944 1.00 0.00 C ATOM 0 H MET A 427 0.711 -19.493 -0.104 1.00 0.00 H new ATOM 0 HA MET A 427 2.331 -17.651 -1.432 1.00 0.00 H new ATOM 0 HB2 MET A 427 3.021 -19.818 -0.419 1.00 0.00 H new ATOM 0 HB3 MET A 427 2.174 -20.676 -1.691 1.00 0.00 H new ATOM 0 HG2 MET A 427 4.342 -18.652 -2.326 1.00 0.00 H new ATOM 0 HG3 MET A 427 4.739 -20.310 -1.919 1.00 0.00 H new ATOM 0 HE1 MET A 427 3.742 -18.585 -5.907 1.00 0.00 H new ATOM 0 HE2 MET A 427 3.992 -17.780 -4.339 1.00 0.00 H new ATOM 0 HE3 MET A 427 5.327 -18.676 -5.103 1.00 0.00 H new ATOM 890 N LYS A 428 0.512 -19.405 -3.576 1.00 0.00 N ATOM 891 CA LYS A 428 0.017 -19.384 -4.944 1.00 0.00 C ATOM 892 C LYS A 428 -0.711 -18.077 -5.240 1.00 0.00 C ATOM 893 O LYS A 428 -0.475 -17.490 -6.286 1.00 0.00 O ATOM 894 CB LYS A 428 -0.770 -20.657 -5.314 1.00 0.00 C ATOM 895 CG LYS A 428 -2.289 -20.579 -5.111 1.00 0.00 C ATOM 896 CD LYS A 428 -2.975 -21.937 -5.321 1.00 0.00 C ATOM 897 CE LYS A 428 -2.652 -22.647 -6.647 1.00 0.00 C ATOM 898 NZ LYS A 428 -3.091 -21.901 -7.842 1.00 0.00 N ATOM 0 H LYS A 428 0.241 -20.233 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 428 0.876 -19.406 -5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -0.573 -20.894 -6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -0.384 -21.486 -4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -2.501 -20.219 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -2.709 -19.851 -5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -2.695 -22.596 -4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -4.054 -21.792 -5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -1.576 -22.812 -6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -3.126 -23.629 -6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -2.841 -22.437 -8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -4.121 -21.765 -7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -2.620 -20.974 -7.865 1.00 0.00 H new ATOM 912 N LYS A 429 -1.565 -17.611 -4.322 1.00 0.00 N ATOM 913 CA LYS A 429 -2.293 -16.359 -4.478 1.00 0.00 C ATOM 914 C LYS A 429 -1.336 -15.161 -4.550 1.00 0.00 C ATOM 915 O LYS A 429 -1.514 -14.297 -5.405 1.00 0.00 O ATOM 916 CB LYS A 429 -3.289 -16.207 -3.319 1.00 0.00 C ATOM 917 CG LYS A 429 -4.136 -14.933 -3.425 1.00 0.00 C ATOM 918 CD LYS A 429 -5.087 -14.848 -2.225 1.00 0.00 C ATOM 919 CE LYS A 429 -5.902 -13.550 -2.270 1.00 0.00 C ATOM 920 NZ LYS A 429 -6.787 -13.422 -1.096 1.00 0.00 N ATOM 0 H LYS A 429 -1.767 -18.098 -3.449 1.00 0.00 H new ATOM 0 HA LYS A 429 -2.842 -16.382 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -3.948 -17.075 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -2.743 -16.197 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -3.490 -14.056 -3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -4.706 -14.939 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -5.760 -15.706 -2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -4.515 -14.892 -1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -5.225 -12.696 -2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -6.500 -13.527 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -7.323 -12.533 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -7.449 -14.224 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -6.214 -13.419 -0.228 1.00 0.00 H new