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 398 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 409 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.07) USER MOD Single : A 381 GLN : amide:sc= 0.46 K(o=0.46,f=-0.24) USER MOD Single : A 389 LYS NZ :NH3+ 165:sc= 0.267 (180deg=0.191) USER MOD Single : A 390 ASN : amide:sc= -1.15 K(o=-1.2,f=1.4) USER MOD Single : A 393 SER OG : rot 78:sc= 0.945 USER MOD Single : A 397 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 ASN : amide:sc= 0.433 K(o=0.43,f=-4!) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0381) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 ASN : amide:sc= -0.039 K(o=-0.039,f=-1.2) USER MOD Single : A 414 ASN : amide:sc= 0.575 K(o=0.58,f=-0.015) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.222 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ -146:sc= -0.143 (180deg=-0.421) USER MOD Single : A 426 THR OG1 : rot 180:sc= 0 USER MOD Single : A 427 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 428 LYS NZ :NH3+ -169:sc= 1.06 (180deg=0.661) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.678 -20.690 13.814 1.00 0.00 N ATOM 72 CA GLN A 381 6.631 -21.480 13.057 1.00 0.00 C ATOM 73 C GLN A 381 6.479 -21.100 11.587 1.00 0.00 C ATOM 74 O GLN A 381 5.821 -21.796 10.809 1.00 0.00 O ATOM 75 CB GLN A 381 6.396 -22.976 13.328 1.00 0.00 C ATOM 76 CG GLN A 381 7.307 -23.923 12.531 1.00 0.00 C ATOM 77 CD GLN A 381 8.790 -23.602 12.688 1.00 0.00 C ATOM 78 OE1 GLN A 381 9.423 -24.044 13.644 1.00 0.00 O ATOM 79 NE2 GLN A 381 9.362 -22.844 11.750 1.00 0.00 N ATOM 0 HA GLN A 381 7.659 -21.278 13.357 1.00 0.00 H new ATOM 0 HB2 GLN A 381 6.539 -23.166 14.392 1.00 0.00 H new ATOM 0 HB3 GLN A 381 5.357 -23.214 13.099 1.00 0.00 H new ATOM 0 HG2 GLN A 381 7.127 -24.948 12.855 1.00 0.00 H new ATOM 0 HG3 GLN A 381 7.040 -23.871 11.475 1.00 0.00 H new ATOM 0 HE21 GLN A 381 8.807 -22.493 10.969 1.00 0.00 H new ATOM 0 HE22 GLN A 381 10.354 -22.615 11.814 1.00 0.00 H new ATOM 88 N ALA A 382 7.107 -19.983 11.205 1.00 0.00 N ATOM 89 CA ALA A 382 7.089 -19.499 9.834 1.00 0.00 C ATOM 90 C ALA A 382 7.718 -20.550 8.917 1.00 0.00 C ATOM 91 O ALA A 382 8.513 -21.375 9.372 1.00 0.00 O ATOM 92 CB ALA A 382 7.839 -18.169 9.744 1.00 0.00 C ATOM 0 H ALA A 382 7.641 -19.393 11.844 1.00 0.00 H new ATOM 0 HA ALA A 382 6.061 -19.330 9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 382 7.822 -17.811 8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 382 7.358 -17.436 10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 382 8.872 -18.311 10.062 1.00 0.00 H new ATOM 98 N TRP A 383 7.355 -20.526 7.632 1.00 0.00 N ATOM 99 CA TRP A 383 7.870 -21.474 6.661 1.00 0.00 C ATOM 100 C TRP A 383 9.184 -20.976 6.065 1.00 0.00 C ATOM 101 O TRP A 383 9.324 -19.798 5.740 1.00 0.00 O ATOM 102 CB TRP A 383 6.854 -21.704 5.543 1.00 0.00 C ATOM 103 CG TRP A 383 5.588 -22.417 5.915 1.00 0.00 C ATOM 104 CD1 TRP A 383 4.670 -22.012 6.822 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.078 -23.674 5.384 1.00 0.00 C ATOM 106 NE1 TRP A 383 3.637 -22.923 6.896 1.00 0.00 N ATOM 107 CE2 TRP A 383 3.841 -23.972 6.024 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.539 -24.592 4.417 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.103 -25.126 5.717 1.00 0.00 C ATOM 110 CZ3 TRP A 383 4.811 -25.752 4.105 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.595 -26.017 4.755 1.00 0.00 C ATOM 0 H TRP A 383 6.698 -19.849 7.244 1.00 0.00 H new ATOM 0 HA TRP A 383 8.051 -22.417 7.177 1.00 0.00 H new ATOM 0 HB2 TRP A 383 6.587 -20.735 5.122 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.343 -22.271 4.751 1.00 0.00 H new ATOM 0 HD1 TRP A 383 4.736 -21.105 7.405 1.00 0.00 H new ATOM 0 HE1 TRP A 383 2.830 -22.833 7.513 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.471 -24.399 3.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.166 -25.324 6.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.187 -26.441 3.364 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.038 -26.910 4.513 1.00 0.00 H new ATOM 122 N LEU A 384 10.135 -21.898 5.915 1.00 0.00 N ATOM 123 CA LEU A 384 11.451 -21.677 5.329 1.00 0.00 C ATOM 124 C LEU A 384 11.417 -22.284 3.923 1.00 0.00 C ATOM 125 O LEU A 384 10.501 -23.047 3.607 1.00 0.00 O ATOM 126 CB LEU A 384 12.537 -22.355 6.180 1.00 0.00 C ATOM 127 CG LEU A 384 12.923 -21.583 7.455 1.00 0.00 C ATOM 128 CD1 LEU A 384 11.787 -21.488 8.481 1.00 0.00 C ATOM 129 CD2 LEU A 384 14.121 -22.281 8.110 1.00 0.00 C ATOM 0 H LEU A 384 9.999 -22.864 6.214 1.00 0.00 H new ATOM 0 HA LEU A 384 11.686 -20.613 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.191 -23.349 6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 384 13.429 -22.490 5.568 1.00 0.00 H new ATOM 0 HG LEU A 384 13.162 -20.564 7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 384 12.130 -20.931 9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 384 10.935 -20.975 8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 384 11.487 -22.491 8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 384 14.405 -21.744 9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 384 13.850 -23.305 8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 384 14.961 -22.291 7.415 1.00 0.00 H new ATOM 141 N TRP A 385 12.403 -21.974 3.062 1.00 0.00 N ATOM 142 CA TRP A 385 12.378 -22.553 1.725 1.00 0.00 C ATOM 143 C TRP A 385 12.478 -24.064 1.749 1.00 0.00 C ATOM 144 O TRP A 385 12.045 -24.673 0.792 1.00 0.00 O ATOM 145 CB TRP A 385 13.353 -21.951 0.709 1.00 0.00 C ATOM 146 CG TRP A 385 14.815 -22.248 0.848 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.697 -21.306 1.206 1.00 0.00 C ATOM 148 CD2 TRP A 385 15.606 -23.467 0.647 1.00 0.00 C ATOM 149 NE1 TRP A 385 16.974 -21.821 1.261 1.00 0.00 N ATOM 150 CE2 TRP A 385 16.974 -23.157 0.922 1.00 0.00 C ATOM 151 CE3 TRP A 385 15.331 -24.798 0.259 1.00 0.00 C ATOM 152 CZ2 TRP A 385 17.998 -24.111 0.826 1.00 0.00 C ATOM 153 CZ3 TRP A 385 16.349 -25.764 0.159 1.00 0.00 C ATOM 154 CH2 TRP A 385 17.683 -25.423 0.442 1.00 0.00 C ATOM 0 H TRP A 385 13.189 -21.355 3.262 1.00 0.00 H new ATOM 0 HA TRP A 385 11.393 -22.269 1.355 1.00 0.00 H new ATOM 0 HB2 TRP A 385 13.042 -22.281 -0.282 1.00 0.00 H new ATOM 0 HB3 TRP A 385 13.232 -20.868 0.737 1.00 0.00 H new ATOM 0 HD1 TRP A 385 15.441 -20.279 1.423 1.00 0.00 H new ATOM 0 HE1 TRP A 385 17.805 -21.287 1.517 1.00 0.00 H new ATOM 0 HE3 TRP A 385 14.313 -25.081 0.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 19.020 -23.838 1.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 16.104 -26.773 -0.137 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.462 -26.167 0.364 1.00 0.00 H new ATOM 165 N GLU A 386 13.013 -24.713 2.785 1.00 0.00 N ATOM 166 CA GLU A 386 13.030 -26.168 2.737 1.00 0.00 C ATOM 167 C GLU A 386 11.584 -26.658 2.619 1.00 0.00 C ATOM 168 O GLU A 386 11.259 -27.442 1.730 1.00 0.00 O ATOM 169 CB GLU A 386 13.773 -26.745 3.947 1.00 0.00 C ATOM 170 CG GLU A 386 13.942 -28.264 3.816 1.00 0.00 C ATOM 171 CD GLU A 386 14.761 -28.840 4.967 1.00 0.00 C ATOM 172 OE1 GLU A 386 15.968 -28.518 5.018 1.00 0.00 O ATOM 173 OE2 GLU A 386 14.167 -29.593 5.771 1.00 0.00 O ATOM 0 H GLU A 386 13.416 -24.284 3.618 1.00 0.00 H new ATOM 0 HA GLU A 386 13.581 -26.522 1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 386 14.752 -26.273 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 386 13.223 -26.514 4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 386 12.961 -28.739 3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 386 14.430 -28.496 2.870 1.00 0.00 H new ATOM 180 N GLU A 387 10.719 -26.149 3.498 1.00 0.00 N ATOM 181 CA GLU A 387 9.307 -26.469 3.525 1.00 0.00 C ATOM 182 C GLU A 387 8.609 -25.981 2.245 1.00 0.00 C ATOM 183 O GLU A 387 7.973 -26.776 1.560 1.00 0.00 O ATOM 184 CB GLU A 387 8.682 -25.842 4.776 1.00 0.00 C ATOM 185 CG GLU A 387 9.344 -26.269 6.094 1.00 0.00 C ATOM 186 CD GLU A 387 8.996 -25.274 7.191 1.00 0.00 C ATOM 187 OE1 GLU A 387 9.746 -24.283 7.309 1.00 0.00 O ATOM 188 OE2 GLU A 387 7.970 -25.492 7.870 1.00 0.00 O ATOM 0 H GLU A 387 10.996 -25.488 4.224 1.00 0.00 H new ATOM 0 HA GLU A 387 9.178 -27.551 3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 387 8.737 -24.757 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.625 -26.106 4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.006 -27.267 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.425 -26.322 5.968 1.00 0.00 H new ATOM 195 N ASP A 388 8.706 -24.686 1.916 1.00 0.00 N ATOM 196 CA ASP A 388 8.045 -24.110 0.743 1.00 0.00 C ATOM 197 C ASP A 388 8.547 -24.669 -0.589 1.00 0.00 C ATOM 198 O ASP A 388 7.744 -25.018 -1.453 1.00 0.00 O ATOM 199 CB ASP A 388 8.180 -22.582 0.736 1.00 0.00 C ATOM 200 CG ASP A 388 7.375 -21.894 1.831 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.295 -22.416 2.178 1.00 0.00 O ATOM 202 OD2 ASP A 388 7.817 -20.811 2.269 1.00 0.00 O ATOM 0 H ASP A 388 9.245 -24.010 2.457 1.00 0.00 H new ATOM 0 HA ASP A 388 6.997 -24.397 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.231 -22.318 0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 388 7.858 -22.202 -0.233 1.00 0.00 H new ATOM 207 N LYS A 389 9.869 -24.745 -0.774 1.00 0.00 N ATOM 208 CA LYS A 389 10.489 -25.249 -1.992 1.00 0.00 C ATOM 209 C LYS A 389 10.055 -26.709 -2.166 1.00 0.00 C ATOM 210 O LYS A 389 9.664 -27.105 -3.266 1.00 0.00 O ATOM 211 CB LYS A 389 12.021 -25.040 -1.964 1.00 0.00 C ATOM 212 CG LYS A 389 12.657 -25.265 -3.344 1.00 0.00 C ATOM 213 CD LYS A 389 14.192 -25.257 -3.278 1.00 0.00 C ATOM 214 CE LYS A 389 14.772 -23.861 -3.006 1.00 0.00 C ATOM 215 NZ LYS A 389 16.240 -23.896 -2.862 1.00 0.00 N ATOM 0 H LYS A 389 10.544 -24.452 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 389 10.156 -24.692 -2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.243 -24.029 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.467 -25.725 -1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 389 12.316 -26.218 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 389 12.319 -24.488 -4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 389 14.520 -25.940 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.593 -25.634 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 389 14.503 -23.190 -3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 389 14.327 -23.453 -2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 16.619 -22.930 -2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 16.488 -24.297 -1.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 16.649 -24.485 -3.615 1.00 0.00 H new ATOM 229 N ASN A 390 10.090 -27.498 -1.081 1.00 0.00 N ATOM 230 CA ASN A 390 9.647 -28.886 -1.109 1.00 0.00 C ATOM 231 C ASN A 390 8.174 -28.954 -1.516 1.00 0.00 C ATOM 232 O ASN A 390 7.833 -29.681 -2.443 1.00 0.00 O ATOM 233 CB ASN A 390 9.853 -29.542 0.261 1.00 0.00 C ATOM 234 CG ASN A 390 9.233 -30.933 0.326 1.00 0.00 C ATOM 235 OD1 ASN A 390 9.270 -31.677 -0.648 1.00 0.00 O ATOM 236 ND2 ASN A 390 8.645 -31.283 1.469 1.00 0.00 N ATOM 0 H ASN A 390 10.425 -27.187 -0.169 1.00 0.00 H new ATOM 0 HA ASN A 390 10.242 -29.430 -1.843 1.00 0.00 H new ATOM 0 HB2 ASN A 390 10.920 -29.610 0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.413 -28.912 1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 390 8.204 -32.199 1.556 1.00 0.00 H new ATOM 0 HD22 ASN A 390 8.636 -30.635 2.257 1.00 0.00 H new ATOM 243 N LEU A 391 7.305 -28.198 -0.832 1.00 0.00 N ATOM 244 CA LEU A 391 5.871 -28.152 -1.096 1.00 0.00 C ATOM 245 C LEU A 391 5.602 -27.889 -2.578 1.00 0.00 C ATOM 246 O LEU A 391 4.894 -28.654 -3.228 1.00 0.00 O ATOM 247 CB LEU A 391 5.214 -27.079 -0.213 1.00 0.00 C ATOM 248 CG LEU A 391 3.678 -27.071 -0.286 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.108 -28.419 0.166 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.142 -25.958 0.622 1.00 0.00 C ATOM 0 H LEU A 391 7.591 -27.590 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 391 5.433 -29.119 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.519 -27.237 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 391 5.588 -26.099 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 391 3.372 -26.895 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.020 -28.392 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.487 -29.210 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.411 -28.616 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.053 -25.944 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.460 -26.141 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 391 3.531 -24.996 0.287 1.00 0.00 H new ATOM 262 N ARG A 392 6.186 -26.808 -3.106 1.00 0.00 N ATOM 263 CA ARG A 392 6.065 -26.402 -4.497 1.00 0.00 C ATOM 264 C ARG A 392 6.449 -27.572 -5.413 1.00 0.00 C ATOM 265 O ARG A 392 5.709 -27.924 -6.335 1.00 0.00 O ATOM 266 CB ARG A 392 6.957 -25.169 -4.718 1.00 0.00 C ATOM 267 CG ARG A 392 6.771 -24.558 -6.109 1.00 0.00 C ATOM 268 CD ARG A 392 7.841 -23.495 -6.390 1.00 0.00 C ATOM 269 NE ARG A 392 7.788 -23.054 -7.791 1.00 0.00 N ATOM 270 CZ ARG A 392 6.850 -22.247 -8.313 1.00 0.00 C ATOM 271 NH1 ARG A 392 5.973 -21.619 -7.522 1.00 0.00 N ATOM 272 NH2 ARG A 392 6.771 -22.080 -9.637 1.00 0.00 N ATOM 0 H ARG A 392 6.771 -26.178 -2.556 1.00 0.00 H new ATOM 0 HA ARG A 392 5.037 -26.132 -4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 392 6.730 -24.419 -3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.001 -25.450 -4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 392 6.825 -25.342 -6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 392 5.780 -24.110 -6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 392 7.692 -22.640 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 392 8.829 -23.900 -6.169 1.00 0.00 H new ATOM 0 HE ARG A 392 8.522 -23.387 -8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 392 6.012 -21.751 -6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 392 5.265 -21.008 -7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 392 7.424 -22.566 -10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 392 6.058 -21.467 -10.032 1.00 0.00 H new ATOM 286 N SER A 393 7.610 -28.187 -5.160 1.00 0.00 N ATOM 287 CA SER A 393 8.088 -29.327 -5.932 1.00 0.00 C ATOM 288 C SER A 393 7.088 -30.482 -5.859 1.00 0.00 C ATOM 289 O SER A 393 6.839 -31.142 -6.864 1.00 0.00 O ATOM 290 CB SER A 393 9.485 -29.735 -5.458 1.00 0.00 C ATOM 291 OG SER A 393 10.350 -28.620 -5.555 1.00 0.00 O ATOM 0 H SER A 393 8.242 -27.903 -4.411 1.00 0.00 H new ATOM 0 HA SER A 393 8.170 -29.044 -6.981 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.444 -30.091 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.863 -30.558 -6.065 1.00 0.00 H new ATOM 0 HG SER A 393 10.193 -28.017 -4.798 1.00 0.00 H new ATOM 297 N GLY A 394 6.502 -30.706 -4.679 1.00 0.00 N ATOM 298 CA GLY A 394 5.505 -31.734 -4.445 1.00 0.00 C ATOM 299 C GLY A 394 4.280 -31.493 -5.318 1.00 0.00 C ATOM 300 O GLY A 394 3.784 -32.429 -5.939 1.00 0.00 O ATOM 0 H GLY A 394 6.719 -30.160 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 394 5.927 -32.715 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.216 -31.737 -3.394 1.00 0.00 H new ATOM 304 N VAL A 395 3.806 -30.242 -5.384 1.00 0.00 N ATOM 305 CA VAL A 395 2.661 -29.889 -6.211 1.00 0.00 C ATOM 306 C VAL A 395 2.961 -30.232 -7.671 1.00 0.00 C ATOM 307 O VAL A 395 2.112 -30.813 -8.340 1.00 0.00 O ATOM 308 CB VAL A 395 2.240 -28.423 -6.006 1.00 0.00 C ATOM 309 CG1 VAL A 395 1.130 -28.038 -6.994 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.700 -28.225 -4.584 1.00 0.00 C ATOM 0 H VAL A 395 4.206 -29.458 -4.868 1.00 0.00 H new ATOM 0 HA VAL A 395 1.799 -30.480 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 395 3.117 -27.797 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.845 -26.998 -6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.492 -28.162 -8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.263 -28.680 -6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.405 -27.185 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 395 0.835 -28.871 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.476 -28.479 -3.862 1.00 0.00 H new ATOM 320 N ARG A 396 4.154 -29.907 -8.186 1.00 0.00 N ATOM 321 CA ARG A 396 4.464 -30.270 -9.569 1.00 0.00 C ATOM 322 C ARG A 396 4.547 -31.795 -9.734 1.00 0.00 C ATOM 323 O ARG A 396 4.048 -32.337 -10.717 1.00 0.00 O ATOM 324 CB ARG A 396 5.775 -29.638 -10.062 1.00 0.00 C ATOM 325 CG ARG A 396 5.608 -28.233 -10.661 1.00 0.00 C ATOM 326 CD ARG A 396 5.539 -27.123 -9.608 1.00 0.00 C ATOM 327 NE ARG A 396 6.747 -27.100 -8.775 1.00 0.00 N ATOM 328 CZ ARG A 396 7.951 -26.621 -9.135 1.00 0.00 C ATOM 329 NH1 ARG A 396 8.128 -26.064 -10.341 1.00 0.00 N ATOM 330 NH2 ARG A 396 8.983 -26.697 -8.281 1.00 0.00 N ATOM 0 H ARG A 396 4.893 -29.412 -7.686 1.00 0.00 H new ATOM 0 HA ARG A 396 3.648 -29.879 -10.176 1.00 0.00 H new ATOM 0 HB2 ARG A 396 6.476 -29.585 -9.229 1.00 0.00 H new ATOM 0 HB3 ARG A 396 6.221 -30.291 -10.813 1.00 0.00 H new ATOM 0 HG2 ARG A 396 6.441 -28.033 -11.334 1.00 0.00 H new ATOM 0 HG3 ARG A 396 4.699 -28.209 -11.263 1.00 0.00 H new ATOM 0 HD2 ARG A 396 5.417 -26.159 -10.101 1.00 0.00 H new ATOM 0 HD3 ARG A 396 4.663 -27.272 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 396 6.666 -27.484 -7.833 1.00 0.00 H new ATOM 0 HH11 ARG A 396 7.346 -26.001 -10.993 1.00 0.00 H new ATOM 0 HH12 ARG A 396 9.044 -25.703 -10.607 1.00 0.00 H new ATOM 0 HH21 ARG A 396 8.854 -27.117 -7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 396 9.897 -26.334 -8.552 1.00 0.00 H new ATOM 344 N LYS A 397 5.201 -32.482 -8.793 1.00 0.00 N ATOM 345 CA LYS A 397 5.422 -33.921 -8.839 1.00 0.00 C ATOM 346 C LYS A 397 4.151 -34.775 -8.766 1.00 0.00 C ATOM 347 O LYS A 397 4.062 -35.765 -9.491 1.00 0.00 O ATOM 348 CB LYS A 397 6.435 -34.316 -7.754 1.00 0.00 C ATOM 349 CG LYS A 397 6.922 -35.771 -7.872 1.00 0.00 C ATOM 350 CD LYS A 397 7.632 -36.134 -9.185 1.00 0.00 C ATOM 351 CE LYS A 397 8.839 -35.232 -9.473 1.00 0.00 C ATOM 352 NZ LYS A 397 9.589 -35.694 -10.656 1.00 0.00 N ATOM 0 H LYS A 397 5.597 -32.040 -7.964 1.00 0.00 H new ATOM 0 HA LYS A 397 5.826 -34.140 -9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 397 7.294 -33.648 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 397 5.981 -34.171 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 397 7.602 -35.975 -7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 397 6.064 -36.432 -7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 397 7.962 -37.172 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 397 6.923 -36.060 -10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 397 8.500 -34.209 -9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 397 9.499 -35.217 -8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 10.398 -35.062 -10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 9.933 -36.662 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 8.965 -35.684 -11.488 1.00 0.00 H new ATOM 366 N TYR A 398 3.199 -34.435 -7.888 1.00 0.00 N ATOM 367 CA TYR A 398 1.981 -35.219 -7.679 1.00 0.00 C ATOM 368 C TYR A 398 0.684 -34.421 -7.832 1.00 0.00 C ATOM 369 O TYR A 398 -0.379 -34.927 -7.479 1.00 0.00 O ATOM 370 CB TYR A 398 2.058 -35.853 -6.283 1.00 0.00 C ATOM 371 CG TYR A 398 3.344 -36.614 -6.025 1.00 0.00 C ATOM 372 CD1 TYR A 398 3.527 -37.895 -6.578 1.00 0.00 C ATOM 373 CD2 TYR A 398 4.363 -36.039 -5.244 1.00 0.00 C ATOM 374 CE1 TYR A 398 4.721 -38.599 -6.349 1.00 0.00 C ATOM 375 CE2 TYR A 398 5.557 -36.743 -5.018 1.00 0.00 C ATOM 376 CZ TYR A 398 5.737 -38.023 -5.567 1.00 0.00 C ATOM 377 OH TYR A 398 6.900 -38.698 -5.343 1.00 0.00 O ATOM 0 H TYR A 398 3.255 -33.603 -7.301 1.00 0.00 H new ATOM 0 HA TYR A 398 1.940 -35.976 -8.462 1.00 0.00 H new ATOM 0 HB2 TYR A 398 1.954 -35.069 -5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 398 1.214 -36.531 -6.155 1.00 0.00 H new ATOM 0 HD1 TYR A 398 2.748 -38.338 -7.180 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.227 -35.056 -4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 398 4.858 -39.582 -6.774 1.00 0.00 H new ATOM 0 HE2 TYR A 398 6.339 -36.299 -4.420 1.00 0.00 H new ATOM 0 HH TYR A 398 7.492 -38.153 -4.783 1.00 0.00 H new ATOM 387 N GLY A 399 0.739 -33.190 -8.347 1.00 0.00 N ATOM 388 CA GLY A 399 -0.444 -32.355 -8.505 1.00 0.00 C ATOM 389 C GLY A 399 -0.862 -31.766 -7.157 1.00 0.00 C ATOM 390 O GLY A 399 -0.218 -32.013 -6.139 1.00 0.00 O ATOM 0 H GLY A 399 1.603 -32.750 -8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.239 -31.552 -9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.261 -32.945 -8.921 1.00 0.00 H new ATOM 394 N GLU A 400 -1.950 -30.991 -7.149 1.00 0.00 N ATOM 395 CA GLU A 400 -2.495 -30.368 -5.948 1.00 0.00 C ATOM 396 C GLU A 400 -3.535 -31.308 -5.314 1.00 0.00 C ATOM 397 O GLU A 400 -3.979 -32.266 -5.947 1.00 0.00 O ATOM 398 CB GLU A 400 -3.078 -28.996 -6.336 1.00 0.00 C ATOM 399 CG GLU A 400 -3.329 -28.087 -5.125 1.00 0.00 C ATOM 400 CD GLU A 400 -3.729 -26.664 -5.502 1.00 0.00 C ATOM 401 OE1 GLU A 400 -3.180 -26.121 -6.489 1.00 0.00 O ATOM 402 OE2 GLU A 400 -4.541 -26.079 -4.753 1.00 0.00 O ATOM 0 H GLU A 400 -2.483 -30.778 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.723 -30.201 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.393 -28.497 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.015 -29.144 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.114 -28.525 -4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.427 -28.052 -4.514 1.00 0.00 H new ATOM 409 N GLY A 401 -3.927 -31.037 -4.065 1.00 0.00 N ATOM 410 CA GLY A 401 -4.933 -31.803 -3.341 1.00 0.00 C ATOM 411 C GLY A 401 -4.565 -33.264 -3.097 1.00 0.00 C ATOM 412 O GLY A 401 -5.320 -34.167 -3.451 1.00 0.00 O ATOM 0 H GLY A 401 -3.543 -30.263 -3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.115 -31.322 -2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -5.869 -31.766 -3.898 1.00 0.00 H new ATOM 416 N ASN A 402 -3.409 -33.494 -2.470 1.00 0.00 N ATOM 417 CA ASN A 402 -2.908 -34.819 -2.112 1.00 0.00 C ATOM 418 C ASN A 402 -1.739 -34.642 -1.144 1.00 0.00 C ATOM 419 O ASN A 402 -0.659 -35.210 -1.312 1.00 0.00 O ATOM 420 CB ASN A 402 -2.549 -35.660 -3.347 1.00 0.00 C ATOM 421 CG ASN A 402 -1.451 -35.045 -4.207 1.00 0.00 C ATOM 422 OD1 ASN A 402 -0.304 -35.481 -4.161 1.00 0.00 O ATOM 423 ND2 ASN A 402 -1.800 -34.054 -5.021 1.00 0.00 N ATOM 0 H ASN A 402 -2.780 -32.741 -2.190 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.693 -35.388 -1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -2.232 -36.651 -3.022 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -3.443 -35.795 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -1.105 -33.630 -5.635 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -2.763 -33.718 -5.032 1.00 0.00 H new ATOM 430 N TRP A 403 -1.974 -33.829 -0.113 1.00 0.00 N ATOM 431 CA TRP A 403 -0.982 -33.513 0.901 1.00 0.00 C ATOM 432 C TRP A 403 -0.551 -34.764 1.660 1.00 0.00 C ATOM 433 O TRP A 403 0.584 -34.814 2.124 1.00 0.00 O ATOM 434 CB TRP A 403 -1.438 -32.326 1.757 1.00 0.00 C ATOM 435 CG TRP A 403 -2.139 -31.291 0.934 1.00 0.00 C ATOM 436 CD1 TRP A 403 -3.470 -31.057 0.905 1.00 0.00 C ATOM 437 CD2 TRP A 403 -1.548 -30.363 -0.016 1.00 0.00 C ATOM 438 NE1 TRP A 403 -3.745 -30.051 0.001 1.00 0.00 N ATOM 439 CE2 TRP A 403 -2.592 -29.585 -0.595 1.00 0.00 C ATOM 440 CE3 TRP A 403 -0.231 -30.106 -0.452 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -2.341 -28.598 -1.559 1.00 0.00 C ATOM 442 CZ3 TRP A 403 0.031 -29.119 -1.416 1.00 0.00 C ATOM 443 CH2 TRP A 403 -1.018 -28.368 -1.967 1.00 0.00 C ATOM 0 H TRP A 403 -2.872 -33.369 0.038 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.063 -33.166 0.429 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.105 -32.679 2.544 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -0.574 -31.878 2.248 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.206 -31.578 1.499 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -4.680 -29.698 -0.200 1.00 0.00 H new ATOM 0 HE3 TRP A 403 0.587 -30.677 -0.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -3.153 -28.024 -1.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 1.047 -28.937 -1.735 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -0.807 -27.611 -2.707 1.00 0.00 H new ATOM 454 N SER A 404 -1.413 -35.789 1.749 1.00 0.00 N ATOM 455 CA SER A 404 -1.047 -37.051 2.383 1.00 0.00 C ATOM 456 C SER A 404 0.148 -37.652 1.638 1.00 0.00 C ATOM 457 O SER A 404 1.142 -38.044 2.248 1.00 0.00 O ATOM 458 CB SER A 404 -2.203 -38.058 2.327 1.00 0.00 C ATOM 459 OG SER A 404 -3.400 -37.505 2.811 1.00 0.00 O ATOM 0 H SER A 404 -2.367 -35.762 1.388 1.00 0.00 H new ATOM 0 HA SER A 404 -0.803 -36.851 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.346 -38.391 1.299 1.00 0.00 H new ATOM 0 HB3 SER A 404 -1.946 -38.939 2.914 1.00 0.00 H new ATOM 0 HG SER A 404 -4.114 -38.174 2.759 1.00 0.00 H new ATOM 465 N LYS A 405 0.033 -37.721 0.306 1.00 0.00 N ATOM 466 CA LYS A 405 1.060 -38.269 -0.562 1.00 0.00 C ATOM 467 C LYS A 405 2.327 -37.431 -0.444 1.00 0.00 C ATOM 468 O LYS A 405 3.386 -37.968 -0.135 1.00 0.00 O ATOM 469 CB LYS A 405 0.581 -38.330 -2.020 1.00 0.00 C ATOM 470 CG LYS A 405 -0.704 -39.147 -2.190 1.00 0.00 C ATOM 471 CD LYS A 405 -1.015 -39.310 -3.685 1.00 0.00 C ATOM 472 CE LYS A 405 -2.356 -40.015 -3.932 1.00 0.00 C ATOM 473 NZ LYS A 405 -3.511 -39.190 -3.526 1.00 0.00 N ATOM 0 H LYS A 405 -0.791 -37.391 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 405 1.276 -39.290 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.413 -37.317 -2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 405 1.367 -38.765 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -0.590 -40.125 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -1.533 -38.649 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -1.031 -38.328 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -0.216 -39.880 -4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -2.444 -40.262 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -2.375 -40.956 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -4.393 -39.666 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -3.499 -39.060 -2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -3.456 -38.262 -3.992 1.00 0.00 H new ATOM 487 N ILE A 406 2.221 -36.119 -0.687 1.00 0.00 N ATOM 488 CA ILE A 406 3.351 -35.198 -0.617 1.00 0.00 C ATOM 489 C ILE A 406 4.094 -35.368 0.718 1.00 0.00 C ATOM 490 O ILE A 406 5.314 -35.531 0.734 1.00 0.00 O ATOM 491 CB ILE A 406 2.859 -33.761 -0.889 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.364 -33.655 -2.347 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.963 -32.721 -0.645 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.544 -32.392 -2.627 1.00 0.00 C ATOM 0 H ILE A 406 1.341 -35.668 -0.939 1.00 0.00 H new ATOM 0 HA ILE A 406 4.084 -35.426 -1.391 1.00 0.00 H new ATOM 0 HB ILE A 406 2.044 -33.550 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.224 -33.675 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.758 -34.530 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.574 -31.723 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 406 4.293 -32.778 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.806 -32.923 -1.306 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.230 -32.386 -3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.664 -32.379 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.153 -31.511 -2.426 1.00 0.00 H new ATOM 506 N LEU A 407 3.363 -35.354 1.837 1.00 0.00 N ATOM 507 CA LEU A 407 3.924 -35.525 3.172 1.00 0.00 C ATOM 508 C LEU A 407 4.608 -36.886 3.316 1.00 0.00 C ATOM 509 O LEU A 407 5.665 -36.965 3.933 1.00 0.00 O ATOM 510 CB LEU A 407 2.829 -35.299 4.227 1.00 0.00 C ATOM 511 CG LEU A 407 3.341 -35.406 5.676 1.00 0.00 C ATOM 512 CD1 LEU A 407 2.623 -34.384 6.566 1.00 0.00 C ATOM 513 CD2 LEU A 407 3.102 -36.807 6.260 1.00 0.00 C ATOM 0 H LEU A 407 2.352 -35.221 1.836 1.00 0.00 H new ATOM 0 HA LEU A 407 4.701 -34.778 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 407 2.389 -34.313 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 407 2.034 -36.029 4.076 1.00 0.00 H new ATOM 0 HG LEU A 407 4.413 -35.209 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 407 2.993 -34.468 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 407 2.815 -33.378 6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 407 1.551 -34.578 6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 407 3.476 -36.843 7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 407 2.034 -37.025 6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 407 3.626 -37.547 5.655 1.00 0.00 H new ATOM 525 N LEU A 408 4.021 -37.952 2.758 1.00 0.00 N ATOM 526 CA LEU A 408 4.588 -39.294 2.831 1.00 0.00 C ATOM 527 C LEU A 408 5.917 -39.343 2.074 1.00 0.00 C ATOM 528 O LEU A 408 6.914 -39.834 2.599 1.00 0.00 O ATOM 529 CB LEU A 408 3.551 -40.303 2.304 1.00 0.00 C ATOM 530 CG LEU A 408 3.927 -41.797 2.343 1.00 0.00 C ATOM 531 CD1 LEU A 408 4.859 -42.225 1.202 1.00 0.00 C ATOM 532 CD2 LEU A 408 4.491 -42.229 3.700 1.00 0.00 C ATOM 0 H LEU A 408 3.141 -37.903 2.245 1.00 0.00 H new ATOM 0 HA LEU A 408 4.813 -39.565 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 408 2.633 -40.172 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 408 3.322 -40.041 1.271 1.00 0.00 H new ATOM 0 HG LEU A 408 2.984 -42.323 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 408 5.081 -43.288 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 408 4.373 -42.037 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 408 5.786 -41.655 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 408 4.739 -43.290 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 408 5.390 -41.653 3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 408 3.747 -42.052 4.476 1.00 0.00 H new ATOM 544 N HIS A 409 5.929 -38.839 0.836 1.00 0.00 N ATOM 545 CA HIS A 409 7.104 -38.818 -0.023 1.00 0.00 C ATOM 546 C HIS A 409 8.240 -37.988 0.576 1.00 0.00 C ATOM 547 O HIS A 409 9.393 -38.417 0.539 1.00 0.00 O ATOM 548 CB HIS A 409 6.722 -38.273 -1.406 1.00 0.00 C ATOM 549 CG HIS A 409 5.704 -39.112 -2.135 1.00 0.00 C ATOM 550 ND1 HIS A 409 5.886 -40.467 -2.371 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.485 -38.811 -2.690 1.00 0.00 C ATOM 552 CE1 HIS A 409 4.803 -40.905 -3.036 1.00 0.00 C ATOM 553 NE2 HIS A 409 3.908 -39.941 -3.262 1.00 0.00 N ATOM 0 H HIS A 409 5.104 -38.428 0.400 1.00 0.00 H new ATOM 0 HA HIS A 409 7.467 -39.842 -0.117 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.330 -37.262 -1.291 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.621 -38.199 -2.017 1.00 0.00 H new ATOM 0 HD2 HIS A 409 4.034 -37.830 -2.684 1.00 0.00 H new ATOM 0 HE1 HIS A 409 4.671 -41.929 -3.354 1.00 0.00 H new ATOM 0 HE2 HIS A 409 3.011 -40.015 -3.742 1.00 0.00 H new ATOM 561 N TYR A 410 7.920 -36.802 1.103 1.00 0.00 N ATOM 562 CA TYR A 410 8.890 -35.878 1.676 1.00 0.00 C ATOM 563 C TYR A 410 8.726 -35.781 3.195 1.00 0.00 C ATOM 564 O TYR A 410 8.528 -36.794 3.862 1.00 0.00 O ATOM 565 CB TYR A 410 8.744 -34.533 0.957 1.00 0.00 C ATOM 566 CG TYR A 410 8.737 -34.627 -0.557 1.00 0.00 C ATOM 567 CD1 TYR A 410 9.896 -35.015 -1.253 1.00 0.00 C ATOM 568 CD2 TYR A 410 7.565 -34.321 -1.270 1.00 0.00 C ATOM 569 CE1 TYR A 410 9.879 -35.096 -2.658 1.00 0.00 C ATOM 570 CE2 TYR A 410 7.548 -34.403 -2.670 1.00 0.00 C ATOM 571 CZ TYR A 410 8.705 -34.789 -3.366 1.00 0.00 C ATOM 572 OH TYR A 410 8.690 -34.864 -4.729 1.00 0.00 O ATOM 0 H TYR A 410 6.961 -36.456 1.142 1.00 0.00 H new ATOM 0 HA TYR A 410 9.908 -36.238 1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.818 -34.059 1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 410 9.561 -33.880 1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.799 -35.251 -0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 410 6.674 -34.022 -0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 410 10.769 -35.394 -3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 410 6.644 -34.169 -3.213 1.00 0.00 H new ATOM 0 HH TYR A 410 7.800 -34.621 -5.060 1.00 0.00 H new ATOM 582 N LYS A 411 8.824 -34.564 3.739 1.00 0.00 N ATOM 583 CA LYS A 411 8.700 -34.255 5.154 1.00 0.00 C ATOM 584 C LYS A 411 8.576 -32.740 5.322 1.00 0.00 C ATOM 585 O LYS A 411 8.875 -31.988 4.394 1.00 0.00 O ATOM 586 CB LYS A 411 9.899 -34.809 5.942 1.00 0.00 C ATOM 587 CG LYS A 411 11.247 -34.304 5.401 1.00 0.00 C ATOM 588 CD LYS A 411 12.420 -34.687 6.314 1.00 0.00 C ATOM 589 CE LYS A 411 12.606 -36.206 6.422 1.00 0.00 C ATOM 590 NZ LYS A 411 13.823 -36.551 7.180 1.00 0.00 N ATOM 0 H LYS A 411 9.000 -33.734 3.173 1.00 0.00 H new ATOM 0 HA LYS A 411 7.806 -34.732 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 411 9.803 -34.525 6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 411 9.882 -35.898 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 411 11.414 -34.716 4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 411 11.211 -33.220 5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 411 13.336 -34.238 5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 411 12.253 -34.273 7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 411 11.736 -36.646 6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 411 12.664 -36.638 5.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 13.917 -37.585 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 14.655 -36.152 6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 13.756 -36.160 8.141 1.00 0.00 H new ATOM 604 N PHE A 412 8.142 -32.306 6.510 1.00 0.00 N ATOM 605 CA PHE A 412 7.965 -30.909 6.884 1.00 0.00 C ATOM 606 C PHE A 412 8.242 -30.778 8.384 1.00 0.00 C ATOM 607 O PHE A 412 8.367 -31.789 9.072 1.00 0.00 O ATOM 608 CB PHE A 412 6.542 -30.445 6.539 1.00 0.00 C ATOM 609 CG PHE A 412 6.211 -30.513 5.060 1.00 0.00 C ATOM 610 CD1 PHE A 412 6.581 -29.450 4.216 1.00 0.00 C ATOM 611 CD2 PHE A 412 5.544 -31.633 4.523 1.00 0.00 C ATOM 612 CE1 PHE A 412 6.286 -29.507 2.845 1.00 0.00 C ATOM 613 CE2 PHE A 412 5.252 -31.685 3.149 1.00 0.00 C ATOM 614 CZ PHE A 412 5.622 -30.621 2.309 1.00 0.00 C ATOM 0 H PHE A 412 7.896 -32.948 7.263 1.00 0.00 H new ATOM 0 HA PHE A 412 8.658 -30.275 6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 412 5.828 -31.058 7.089 1.00 0.00 H new ATOM 0 HB3 PHE A 412 6.412 -29.419 6.883 1.00 0.00 H new ATOM 0 HD1 PHE A 412 7.092 -28.590 4.623 1.00 0.00 H new ATOM 0 HD2 PHE A 412 5.257 -32.451 5.167 1.00 0.00 H new ATOM 0 HE1 PHE A 412 6.571 -28.690 2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 412 4.742 -32.544 2.738 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.396 -30.660 1.254 1.00 0.00 H new ATOM 624 N ASN A 413 8.334 -29.537 8.882 1.00 0.00 N ATOM 625 CA ASN A 413 8.600 -29.225 10.284 1.00 0.00 C ATOM 626 C ASN A 413 7.630 -29.970 11.213 1.00 0.00 C ATOM 627 O ASN A 413 8.034 -30.883 11.929 1.00 0.00 O ATOM 628 CB ASN A 413 8.540 -27.700 10.465 1.00 0.00 C ATOM 629 CG ASN A 413 8.810 -27.259 11.902 1.00 0.00 C ATOM 630 OD1 ASN A 413 7.967 -27.437 12.777 1.00 0.00 O ATOM 631 ND2 ASN A 413 9.970 -26.651 12.149 1.00 0.00 N ATOM 0 H ASN A 413 8.222 -28.705 8.303 1.00 0.00 H new ATOM 0 HA ASN A 413 9.597 -29.568 10.561 1.00 0.00 H new ATOM 0 HB2 ASN A 413 9.270 -27.232 9.804 1.00 0.00 H new ATOM 0 HB3 ASN A 413 7.557 -27.342 10.159 1.00 0.00 H new ATOM 0 HD21 ASN A 413 10.180 -26.317 13.089 1.00 0.00 H new ATOM 0 HD22 ASN A 413 10.647 -26.520 11.398 1.00 0.00 H new ATOM 638 N ASN A 414 6.352 -29.578 11.187 1.00 0.00 N ATOM 639 CA ASN A 414 5.264 -30.154 11.969 1.00 0.00 C ATOM 640 C ASN A 414 3.974 -29.600 11.361 1.00 0.00 C ATOM 641 O ASN A 414 3.252 -28.829 11.992 1.00 0.00 O ATOM 642 CB ASN A 414 5.426 -29.802 13.460 1.00 0.00 C ATOM 643 CG ASN A 414 4.477 -30.600 14.355 1.00 0.00 C ATOM 644 OD1 ASN A 414 4.900 -31.523 15.044 1.00 0.00 O ATOM 645 ND2 ASN A 414 3.193 -30.248 14.365 1.00 0.00 N ATOM 0 H ASN A 414 6.038 -28.813 10.590 1.00 0.00 H new ATOM 0 HA ASN A 414 5.255 -31.243 11.931 1.00 0.00 H new ATOM 0 HB2 ASN A 414 6.455 -29.992 13.765 1.00 0.00 H new ATOM 0 HB3 ASN A 414 5.244 -28.737 13.601 1.00 0.00 H new ATOM 0 HD21 ASN A 414 2.531 -30.750 14.957 1.00 0.00 H new ATOM 0 HD22 ASN A 414 2.871 -29.476 13.781 1.00 0.00 H new ATOM 652 N ARG A 415 3.717 -29.963 10.100 1.00 0.00 N ATOM 653 CA ARG A 415 2.578 -29.489 9.324 1.00 0.00 C ATOM 654 C ARG A 415 1.511 -30.569 9.166 1.00 0.00 C ATOM 655 O ARG A 415 1.815 -31.759 9.130 1.00 0.00 O ATOM 656 CB ARG A 415 3.058 -29.047 7.934 1.00 0.00 C ATOM 657 CG ARG A 415 3.660 -27.638 7.890 1.00 0.00 C ATOM 658 CD ARG A 415 4.795 -27.407 8.884 1.00 0.00 C ATOM 659 NE ARG A 415 5.480 -26.134 8.646 1.00 0.00 N ATOM 660 CZ ARG A 415 5.134 -24.938 9.148 1.00 0.00 C ATOM 661 NH1 ARG A 415 3.955 -24.772 9.763 1.00 0.00 N ATOM 662 NH2 ARG A 415 6.002 -23.929 9.031 1.00 0.00 N ATOM 0 H ARG A 415 4.312 -30.610 9.583 1.00 0.00 H new ATOM 0 HA ARG A 415 2.133 -28.651 9.860 1.00 0.00 H new ATOM 0 HB2 ARG A 415 3.803 -29.758 7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.217 -29.091 7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 415 4.030 -27.445 6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 415 2.870 -26.912 8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 415 4.397 -27.421 9.899 1.00 0.00 H new ATOM 0 HD3 ARG A 415 5.513 -28.224 8.812 1.00 0.00 H new ATOM 0 HE ARG A 415 6.300 -26.159 8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.312 -25.558 9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 415 3.701 -23.859 10.141 1.00 0.00 H new ATOM 0 HH21 ARG A 415 6.899 -24.079 8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 415 5.767 -23.009 9.403 1.00 0.00 H new ATOM 676 N THR A 416 0.261 -30.112 9.050 1.00 0.00 N ATOM 677 CA THR A 416 -0.936 -30.908 8.854 1.00 0.00 C ATOM 678 C THR A 416 -1.464 -30.648 7.443 1.00 0.00 C ATOM 679 O THR A 416 -0.961 -29.772 6.738 1.00 0.00 O ATOM 680 CB THR A 416 -1.995 -30.450 9.871 1.00 0.00 C ATOM 681 OG1 THR A 416 -2.345 -29.102 9.604 1.00 0.00 O ATOM 682 CG2 THR A 416 -1.493 -30.577 11.313 1.00 0.00 C ATOM 0 H THR A 416 0.054 -29.114 9.094 1.00 0.00 H new ATOM 0 HA THR A 416 -0.718 -31.968 8.986 1.00 0.00 H new ATOM 0 HB THR A 416 -2.867 -31.096 9.767 1.00 0.00 H new ATOM 0 HG1 THR A 416 -3.021 -28.806 10.249 1.00 0.00 H new ATOM 0 HG21 THR A 416 -2.271 -30.243 12.000 1.00 0.00 H new ATOM 0 HG22 THR A 416 -1.246 -31.618 11.522 1.00 0.00 H new ATOM 0 HG23 THR A 416 -0.604 -29.960 11.444 1.00 0.00 H new ATOM 690 N SER A 417 -2.508 -31.381 7.042 1.00 0.00 N ATOM 691 CA SER A 417 -3.157 -31.194 5.752 1.00 0.00 C ATOM 692 C SER A 417 -3.647 -29.744 5.641 1.00 0.00 C ATOM 693 O SER A 417 -3.479 -29.105 4.603 1.00 0.00 O ATOM 694 CB SER A 417 -4.316 -32.185 5.635 1.00 0.00 C ATOM 695 OG SER A 417 -5.023 -31.969 4.435 1.00 0.00 O ATOM 0 H SER A 417 -2.923 -32.121 7.608 1.00 0.00 H new ATOM 0 HA SER A 417 -2.458 -31.380 4.936 1.00 0.00 H new ATOM 0 HB2 SER A 417 -3.935 -33.206 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.987 -32.072 6.486 1.00 0.00 H new ATOM 0 HG SER A 417 -5.761 -32.610 4.370 1.00 0.00 H new ATOM 701 N VAL A 418 -4.233 -29.224 6.731 1.00 0.00 N ATOM 702 CA VAL A 418 -4.727 -27.857 6.818 1.00 0.00 C ATOM 703 C VAL A 418 -3.582 -26.888 6.521 1.00 0.00 C ATOM 704 O VAL A 418 -3.715 -26.024 5.656 1.00 0.00 O ATOM 705 CB VAL A 418 -5.328 -27.585 8.211 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.809 -26.134 8.331 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.511 -28.512 8.513 1.00 0.00 C ATOM 0 H VAL A 418 -4.375 -29.759 7.588 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.518 -27.711 6.082 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.532 -27.774 8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -6.228 -25.971 9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.968 -25.458 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.573 -25.941 7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.905 -28.287 9.504 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -7.292 -28.359 7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -6.178 -29.549 8.482 1.00 0.00 H new ATOM 717 N MET A 419 -2.461 -27.031 7.241 1.00 0.00 N ATOM 718 CA MET A 419 -1.302 -26.168 7.055 1.00 0.00 C ATOM 719 C MET A 419 -0.809 -26.214 5.608 1.00 0.00 C ATOM 720 O MET A 419 -0.629 -25.171 4.987 1.00 0.00 O ATOM 721 CB MET A 419 -0.168 -26.590 7.997 1.00 0.00 C ATOM 722 CG MET A 419 -0.477 -26.351 9.475 1.00 0.00 C ATOM 723 SD MET A 419 -0.371 -24.622 9.989 1.00 0.00 S ATOM 724 CE MET A 419 -0.555 -24.864 11.770 1.00 0.00 C ATOM 0 H MET A 419 -2.339 -27.743 7.961 1.00 0.00 H new ATOM 0 HA MET A 419 -1.605 -25.147 7.287 1.00 0.00 H new ATOM 0 HB2 MET A 419 0.044 -27.648 7.846 1.00 0.00 H new ATOM 0 HB3 MET A 419 0.736 -26.043 7.731 1.00 0.00 H new ATOM 0 HG2 MET A 419 -1.480 -26.720 9.688 1.00 0.00 H new ATOM 0 HG3 MET A 419 0.214 -26.940 10.078 1.00 0.00 H new ATOM 0 HE1 MET A 419 -0.516 -23.899 12.274 1.00 0.00 H new ATOM 0 HE2 MET A 419 -1.513 -25.342 11.975 1.00 0.00 H new ATOM 0 HE3 MET A 419 0.252 -25.498 12.136 1.00 0.00 H new ATOM 734 N LEU A 420 -0.582 -27.419 5.078 1.00 0.00 N ATOM 735 CA LEU A 420 -0.088 -27.639 3.725 1.00 0.00 C ATOM 736 C LEU A 420 -0.974 -26.969 2.677 1.00 0.00 C ATOM 737 O LEU A 420 -0.486 -26.159 1.886 1.00 0.00 O ATOM 738 CB LEU A 420 0.063 -29.148 3.468 1.00 0.00 C ATOM 739 CG LEU A 420 1.258 -29.707 4.259 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.106 -31.195 4.585 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.561 -29.522 3.480 1.00 0.00 C ATOM 0 H LEU A 420 -0.742 -28.285 5.593 1.00 0.00 H new ATOM 0 HA LEU A 420 0.893 -27.172 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.850 -29.667 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.206 -29.330 2.403 1.00 0.00 H new ATOM 0 HG LEU A 420 1.286 -29.145 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 420 1.978 -31.536 5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.209 -31.346 5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.023 -31.764 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.392 -29.925 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.494 -30.048 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.728 -28.461 3.297 1.00 0.00 H new ATOM 753 N LYS A 421 -2.269 -27.302 2.666 1.00 0.00 N ATOM 754 CA LYS A 421 -3.189 -26.733 1.695 1.00 0.00 C ATOM 755 C LYS A 421 -3.274 -25.214 1.826 1.00 0.00 C ATOM 756 O LYS A 421 -3.244 -24.515 0.816 1.00 0.00 O ATOM 757 CB LYS A 421 -4.561 -27.438 1.738 1.00 0.00 C ATOM 758 CG LYS A 421 -5.590 -26.899 2.741 1.00 0.00 C ATOM 759 CD LYS A 421 -6.375 -25.693 2.197 1.00 0.00 C ATOM 760 CE LYS A 421 -7.301 -25.125 3.273 1.00 0.00 C ATOM 761 NZ LYS A 421 -7.943 -23.876 2.831 1.00 0.00 N ATOM 0 H LYS A 421 -2.695 -27.960 3.318 1.00 0.00 H new ATOM 0 HA LYS A 421 -2.791 -26.920 0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -5.000 -27.386 0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.393 -28.492 1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.288 -27.694 3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.079 -26.610 3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -5.681 -24.922 1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -6.960 -25.995 1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -8.066 -25.861 3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -6.731 -24.939 4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -8.066 -23.241 3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.345 -23.412 2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -8.872 -24.091 2.417 1.00 0.00 H new ATOM 775 N ASP A 422 -3.405 -24.692 3.054 1.00 0.00 N ATOM 776 CA ASP A 422 -3.546 -23.260 3.261 1.00 0.00 C ATOM 777 C ASP A 422 -2.292 -22.495 2.850 1.00 0.00 C ATOM 778 O ASP A 422 -2.398 -21.434 2.236 1.00 0.00 O ATOM 779 CB ASP A 422 -3.954 -22.943 4.698 1.00 0.00 C ATOM 780 CG ASP A 422 -4.269 -21.459 4.818 1.00 0.00 C ATOM 781 OD1 ASP A 422 -5.233 -21.025 4.148 1.00 0.00 O ATOM 782 OD2 ASP A 422 -3.541 -20.780 5.572 1.00 0.00 O ATOM 0 H ASP A 422 -3.415 -25.245 3.911 1.00 0.00 H new ATOM 0 HA ASP A 422 -4.350 -22.920 2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -4.825 -23.535 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -3.151 -23.212 5.384 1.00 0.00 H new ATOM 787 N ARG A 423 -1.106 -23.027 3.166 1.00 0.00 N ATOM 788 CA ARG A 423 0.134 -22.377 2.780 1.00 0.00 C ATOM 789 C ARG A 423 0.174 -22.332 1.253 1.00 0.00 C ATOM 790 O ARG A 423 0.381 -21.265 0.681 1.00 0.00 O ATOM 791 CB ARG A 423 1.355 -23.108 3.354 1.00 0.00 C ATOM 792 CG ARG A 423 2.615 -22.234 3.477 1.00 0.00 C ATOM 793 CD ARG A 423 2.891 -21.269 2.324 1.00 0.00 C ATOM 794 NE ARG A 423 4.219 -20.649 2.457 1.00 0.00 N ATOM 795 CZ ARG A 423 4.513 -19.340 2.352 1.00 0.00 C ATOM 796 NH1 ARG A 423 3.547 -18.413 2.332 1.00 0.00 N ATOM 797 NH2 ARG A 423 5.791 -18.955 2.267 1.00 0.00 N ATOM 0 H ARG A 423 -0.987 -23.898 3.683 1.00 0.00 H new ATOM 0 HA ARG A 423 0.170 -21.366 3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 423 1.100 -23.499 4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.582 -23.965 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 423 2.539 -21.654 4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 423 3.477 -22.892 3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 423 2.829 -21.803 1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 423 2.125 -20.494 2.303 1.00 0.00 H new ATOM 0 HE ARG A 423 4.999 -21.278 2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 423 2.569 -18.694 2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 423 3.789 -17.425 2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 423 6.536 -19.652 2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.021 -17.964 2.187 1.00 0.00 H new ATOM 811 N TRP A 424 -0.041 -23.469 0.576 1.00 0.00 N ATOM 812 CA TRP A 424 -0.038 -23.462 -0.877 1.00 0.00 C ATOM 813 C TRP A 424 -1.084 -22.485 -1.415 1.00 0.00 C ATOM 814 O TRP A 424 -0.822 -21.793 -2.390 1.00 0.00 O ATOM 815 CB TRP A 424 -0.248 -24.860 -1.457 1.00 0.00 C ATOM 816 CG TRP A 424 -0.274 -24.875 -2.956 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.305 -25.301 -3.715 1.00 0.00 C ATOM 818 CD2 TRP A 424 0.753 -24.440 -3.898 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.997 -25.170 -5.052 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.264 -24.637 -5.225 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.048 -23.894 -3.768 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.021 -24.309 -6.360 1.00 0.00 C ATOM 823 CZ3 TRP A 424 2.813 -23.564 -4.900 1.00 0.00 C ATOM 824 CH2 TRP A 424 2.306 -23.773 -6.189 1.00 0.00 C ATOM 0 H TRP A 424 -0.214 -24.378 1.005 1.00 0.00 H new ATOM 0 HA TRP A 424 0.948 -23.126 -1.198 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.549 -25.516 -1.106 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.186 -25.267 -1.079 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.237 -25.689 -3.330 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -1.621 -25.433 -5.815 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.458 -23.727 -2.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 0.620 -24.467 -7.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 3.801 -23.145 -4.775 1.00 0.00 H new ATOM 0 HH2 TRP A 424 2.905 -23.521 -7.052 1.00 0.00 H new ATOM 835 N ARG A 425 -2.261 -22.413 -0.788 1.00 0.00 N ATOM 836 CA ARG A 425 -3.320 -21.510 -1.204 1.00 0.00 C ATOM 837 C ARG A 425 -2.842 -20.056 -1.158 1.00 0.00 C ATOM 838 O ARG A 425 -2.896 -19.364 -2.171 1.00 0.00 O ATOM 839 CB ARG A 425 -4.562 -21.734 -0.333 1.00 0.00 C ATOM 840 CG ARG A 425 -5.736 -20.846 -0.757 1.00 0.00 C ATOM 841 CD ARG A 425 -6.994 -21.213 0.035 1.00 0.00 C ATOM 842 NE ARG A 425 -6.885 -20.865 1.461 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.930 -20.778 2.302 1.00 0.00 C ATOM 844 NH1 ARG A 425 -9.149 -21.179 1.920 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.742 -20.342 3.551 1.00 0.00 N ATOM 0 H ARG A 425 -2.500 -22.983 0.023 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.590 -21.723 -2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.861 -22.781 -0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -4.314 -21.532 0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.486 -19.798 -0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -5.923 -20.964 -1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.853 -20.699 -0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -7.181 -22.283 -0.061 1.00 0.00 H new ATOM 0 HE ARG A 425 -5.955 -20.677 1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -9.292 -21.555 0.983 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.935 -21.108 2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -6.808 -20.077 3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -8.533 -20.275 4.192 1.00 0.00 H new ATOM 859 N THR A 426 -2.383 -19.583 0.005 1.00 0.00 N ATOM 860 CA THR A 426 -1.934 -18.205 0.157 1.00 0.00 C ATOM 861 C THR A 426 -0.735 -17.901 -0.753 1.00 0.00 C ATOM 862 O THR A 426 -0.719 -16.890 -1.453 1.00 0.00 O ATOM 863 CB THR A 426 -1.710 -17.869 1.648 1.00 0.00 C ATOM 864 OG1 THR A 426 -1.909 -16.487 1.850 1.00 0.00 O ATOM 865 CG2 THR A 426 -0.339 -18.247 2.212 1.00 0.00 C ATOM 0 H THR A 426 -2.314 -20.141 0.856 1.00 0.00 H new ATOM 0 HA THR A 426 -2.720 -17.531 -0.184 1.00 0.00 H new ATOM 0 HB THR A 426 -2.434 -18.480 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 426 -1.769 -16.271 2.796 1.00 0.00 H new ATOM 0 HG21 THR A 426 -0.289 -17.967 3.264 1.00 0.00 H new ATOM 0 HG22 THR A 426 -0.189 -19.322 2.115 1.00 0.00 H new ATOM 0 HG23 THR A 426 0.439 -17.721 1.659 1.00 0.00 H new ATOM 873 N MET A 427 0.267 -18.787 -0.750 1.00 0.00 N ATOM 874 CA MET A 427 1.484 -18.655 -1.535 1.00 0.00 C ATOM 875 C MET A 427 1.189 -18.590 -3.037 1.00 0.00 C ATOM 876 O MET A 427 1.654 -17.677 -3.720 1.00 0.00 O ATOM 877 CB MET A 427 2.436 -19.798 -1.149 1.00 0.00 C ATOM 878 CG MET A 427 3.828 -19.626 -1.759 1.00 0.00 C ATOM 879 SD MET A 427 5.160 -20.594 -1.002 1.00 0.00 S ATOM 880 CE MET A 427 4.667 -22.251 -1.524 1.00 0.00 C ATOM 0 H MET A 427 0.246 -19.635 -0.184 1.00 0.00 H new ATOM 0 HA MET A 427 1.974 -17.708 -1.309 1.00 0.00 H new ATOM 0 HB2 MET A 427 2.521 -19.846 -0.063 1.00 0.00 H new ATOM 0 HB3 MET A 427 2.013 -20.747 -1.478 1.00 0.00 H new ATOM 0 HG2 MET A 427 3.773 -19.887 -2.816 1.00 0.00 H new ATOM 0 HG3 MET A 427 4.098 -18.571 -1.705 1.00 0.00 H new ATOM 0 HE1 MET A 427 5.382 -22.980 -1.143 1.00 0.00 H new ATOM 0 HE2 MET A 427 3.675 -22.476 -1.132 1.00 0.00 H new ATOM 0 HE3 MET A 427 4.646 -22.298 -2.613 1.00 0.00 H new ATOM 890 N LYS A 428 0.410 -19.543 -3.558 1.00 0.00 N ATOM 891 CA LYS A 428 0.055 -19.584 -4.969 1.00 0.00 C ATOM 892 C LYS A 428 -0.768 -18.356 -5.354 1.00 0.00 C ATOM 893 O LYS A 428 -0.542 -17.773 -6.413 1.00 0.00 O ATOM 894 CB LYS A 428 -0.602 -20.922 -5.350 1.00 0.00 C ATOM 895 CG LYS A 428 -2.130 -20.974 -5.204 1.00 0.00 C ATOM 896 CD LYS A 428 -2.638 -22.393 -5.477 1.00 0.00 C ATOM 897 CE LYS A 428 -4.138 -22.408 -5.791 1.00 0.00 C ATOM 898 NZ LYS A 428 -4.630 -23.775 -6.050 1.00 0.00 N ATOM 0 H LYS A 428 0.011 -20.305 -3.009 1.00 0.00 H new ATOM 0 HA LYS A 428 0.968 -19.536 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -0.345 -21.151 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -0.169 -21.708 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -2.418 -20.664 -4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -2.593 -20.274 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -2.087 -22.822 -6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -2.442 -23.023 -4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -4.689 -21.976 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -4.334 -21.780 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -5.594 -23.729 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -4.004 -24.246 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -4.640 -24.315 -5.161 1.00 0.00 H new ATOM 912 N LYS A 429 -1.708 -17.946 -4.491 1.00 0.00 N ATOM 913 CA LYS A 429 -2.525 -16.767 -4.739 1.00 0.00 C ATOM 914 C LYS A 429 -1.666 -15.503 -4.803 1.00 0.00 C ATOM 915 O LYS A 429 -2.086 -14.537 -5.438 1.00 0.00 O ATOM 916 CB LYS A 429 -3.622 -16.626 -3.674 1.00 0.00 C ATOM 917 CG LYS A 429 -4.819 -17.563 -3.902 1.00 0.00 C ATOM 918 CD LYS A 429 -5.622 -17.300 -5.188 1.00 0.00 C ATOM 919 CE LYS A 429 -6.034 -15.830 -5.349 1.00 0.00 C ATOM 920 NZ LYS A 429 -6.934 -15.637 -6.501 1.00 0.00 N ATOM 0 H LYS A 429 -1.916 -18.421 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 429 -3.007 -16.895 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -3.193 -16.829 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -3.975 -15.595 -3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -4.456 -18.591 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -5.492 -17.480 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -5.026 -17.601 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -6.516 -17.924 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -6.529 -15.490 -4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -5.143 -15.215 -5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -7.190 -14.632 -6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -6.452 -15.938 -7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -7.795 -16.205 -6.368 1.00 0.00 H new