USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=13 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 381 GLN : amide:sc= 0.705 K(o=2.2,f=1.5) USER MOD Set 1.2: A 413 ASN : amide:sc= 0.718 K(o=2.2,f=0.9) USER MOD Set 1.3: A 414 ASN : amide:sc= 0.797 K(o=2.2,f=-0.77) USER MOD Set 2.1: A 398 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 409 HIS : no HD1:sc= -0.629 K(o=-0.63,f=-0.026) USER MOD Set 3.1: A 402 ASN : amide:sc= 1.69 K(o=3,f=-7.5!) USER MOD Set 3.2: A 405 LYS NZ :NH3+ 166:sc= 1.26 (180deg=-0.106) USER MOD Set 4.1: A 393 SER OG : rot -123:sc= 0.979 USER MOD Set 4.2: A 397 LYS NZ :NH3+ 178:sc= 0.83 (180deg=-0.0363) USER MOD Set 4.3: A 410 TYR OH : rot 80:sc= 0.73 USER MOD Single : A 389 LYS NZ :NH3+ -153:sc= 0.56 (180deg=0.00262) USER MOD Single : A 390 ASN : amide:sc= -0.432 K(o=-0.43,f=-1.1) USER MOD Single : A 404 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 417 SER OG : rot 180:sc= 0.0082 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 THR OG1 : rot 80:sc= 0.432 USER MOD Single : A 427 MET CE :methyl 160:sc= -0.0306 (180deg=-0.575) USER MOD Single : A 428 LYS NZ :NH3+ 162:sc= 0.896 (180deg=-0.0836) USER MOD Single : A 429 LYS NZ :NH3+ 163:sc= 0.0267 (180deg=-0.52) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 7.092 -20.812 13.558 1.00 0.00 N ATOM 72 CA GLN A 381 8.272 -21.000 12.734 1.00 0.00 C ATOM 73 C GLN A 381 7.798 -20.743 11.302 1.00 0.00 C ATOM 74 O GLN A 381 7.178 -21.611 10.694 1.00 0.00 O ATOM 75 CB GLN A 381 8.822 -22.418 12.970 1.00 0.00 C ATOM 76 CG GLN A 381 10.287 -22.592 12.542 1.00 0.00 C ATOM 77 CD GLN A 381 10.500 -22.554 11.032 1.00 0.00 C ATOM 78 OE1 GLN A 381 11.216 -21.694 10.529 1.00 0.00 O ATOM 79 NE2 GLN A 381 9.902 -23.506 10.319 1.00 0.00 N ATOM 0 HA GLN A 381 9.098 -20.327 12.966 1.00 0.00 H new ATOM 0 HB2 GLN A 381 8.731 -22.662 14.028 1.00 0.00 H new ATOM 0 HB3 GLN A 381 8.206 -23.132 12.424 1.00 0.00 H new ATOM 0 HG2 GLN A 381 10.885 -21.806 13.003 1.00 0.00 H new ATOM 0 HG3 GLN A 381 10.657 -23.542 12.927 1.00 0.00 H new ATOM 0 HE21 GLN A 381 9.316 -24.199 10.784 1.00 0.00 H new ATOM 0 HE22 GLN A 381 10.030 -23.542 9.308 1.00 0.00 H new ATOM 88 N ALA A 382 8.053 -19.539 10.776 1.00 0.00 N ATOM 89 CA ALA A 382 7.625 -19.137 9.441 1.00 0.00 C ATOM 90 C ALA A 382 8.151 -20.080 8.358 1.00 0.00 C ATOM 91 O ALA A 382 9.109 -20.817 8.583 1.00 0.00 O ATOM 92 CB ALA A 382 8.067 -17.697 9.172 1.00 0.00 C ATOM 0 H ALA A 382 8.568 -18.813 11.274 1.00 0.00 H new ATOM 0 HA ALA A 382 6.537 -19.194 9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 382 7.746 -17.398 8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 382 7.617 -17.034 9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.153 -17.631 9.239 1.00 0.00 H new ATOM 98 N TRP A 383 7.522 -20.067 7.179 1.00 0.00 N ATOM 99 CA TRP A 383 7.949 -20.922 6.082 1.00 0.00 C ATOM 100 C TRP A 383 9.167 -20.307 5.397 1.00 0.00 C ATOM 101 O TRP A 383 9.237 -19.091 5.222 1.00 0.00 O ATOM 102 CB TRP A 383 6.817 -21.101 5.078 1.00 0.00 C ATOM 103 CG TRP A 383 5.638 -21.908 5.533 1.00 0.00 C ATOM 104 CD1 TRP A 383 4.770 -21.581 6.516 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.184 -23.193 5.020 1.00 0.00 C ATOM 106 NE1 TRP A 383 3.811 -22.565 6.651 1.00 0.00 N ATOM 107 CE2 TRP A 383 4.021 -23.586 5.745 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.639 -24.068 4.010 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.348 -24.788 5.478 1.00 0.00 C ATOM 110 CZ3 TRP A 383 4.974 -25.278 3.739 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.833 -25.634 4.474 1.00 0.00 C ATOM 0 H TRP A 383 6.719 -19.474 6.966 1.00 0.00 H new ATOM 0 HA TRP A 383 8.217 -21.901 6.479 1.00 0.00 H new ATOM 0 HB2 TRP A 383 6.461 -20.113 4.786 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.226 -21.570 4.183 1.00 0.00 H new ATOM 0 HD1 TRP A 383 4.819 -20.680 7.110 1.00 0.00 H new ATOM 0 HE1 TRP A 383 3.049 -22.541 7.329 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.514 -23.804 3.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.466 -25.057 6.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.342 -25.934 2.964 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.327 -26.565 4.264 1.00 0.00 H new ATOM 122 N LEU A 384 10.113 -21.162 5.012 1.00 0.00 N ATOM 123 CA LEU A 384 11.349 -20.807 4.333 1.00 0.00 C ATOM 124 C LEU A 384 11.480 -21.686 3.088 1.00 0.00 C ATOM 125 O LEU A 384 10.618 -22.523 2.817 1.00 0.00 O ATOM 126 CB LEU A 384 12.547 -21.029 5.277 1.00 0.00 C ATOM 127 CG LEU A 384 12.477 -20.243 6.597 1.00 0.00 C ATOM 128 CD1 LEU A 384 13.615 -20.702 7.516 1.00 0.00 C ATOM 129 CD2 LEU A 384 12.601 -18.732 6.363 1.00 0.00 C ATOM 0 H LEU A 384 10.031 -22.166 5.174 1.00 0.00 H new ATOM 0 HA LEU A 384 11.335 -19.756 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.620 -22.092 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 384 13.462 -20.752 4.753 1.00 0.00 H new ATOM 0 HG LEU A 384 11.508 -20.438 7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 384 13.571 -20.148 8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 384 13.512 -21.768 7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 384 14.573 -20.516 7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 384 12.547 -18.210 7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 384 13.556 -18.515 5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 384 11.788 -18.396 5.720 1.00 0.00 H new ATOM 141 N TRP A 385 12.575 -21.505 2.337 1.00 0.00 N ATOM 142 CA TRP A 385 12.872 -22.278 1.130 1.00 0.00 C ATOM 143 C TRP A 385 12.745 -23.747 1.420 1.00 0.00 C ATOM 144 O TRP A 385 12.215 -24.468 0.602 1.00 0.00 O ATOM 145 CB TRP A 385 14.301 -22.092 0.606 1.00 0.00 C ATOM 146 CG TRP A 385 15.054 -21.050 1.322 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.020 -19.767 0.975 1.00 0.00 C ATOM 148 CD2 TRP A 385 15.902 -21.147 2.486 1.00 0.00 C ATOM 149 NE1 TRP A 385 15.804 -19.024 1.840 1.00 0.00 N ATOM 150 CE2 TRP A 385 16.373 -19.843 2.807 1.00 0.00 C ATOM 151 CE3 TRP A 385 16.304 -22.216 3.301 1.00 0.00 C ATOM 152 CZ2 TRP A 385 17.221 -19.620 3.906 1.00 0.00 C ATOM 153 CZ3 TRP A 385 17.144 -22.008 4.406 1.00 0.00 C ATOM 154 CH2 TRP A 385 17.604 -20.712 4.709 1.00 0.00 C ATOM 0 H TRP A 385 13.287 -20.808 2.556 1.00 0.00 H new ATOM 0 HA TRP A 385 12.162 -21.917 0.386 1.00 0.00 H new ATOM 0 HB2 TRP A 385 14.836 -23.038 0.688 1.00 0.00 H new ATOM 0 HB3 TRP A 385 14.262 -21.839 -0.453 1.00 0.00 H new ATOM 0 HD1 TRP A 385 14.463 -19.364 0.142 1.00 0.00 H new ATOM 0 HE1 TRP A 385 15.944 -18.016 1.776 1.00 0.00 H new ATOM 0 HE3 TRP A 385 15.962 -23.215 3.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 17.574 -18.625 4.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 17.438 -22.843 5.025 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.252 -20.555 5.559 1.00 0.00 H new ATOM 165 N GLU A 386 13.253 -24.208 2.555 1.00 0.00 N ATOM 166 CA GLU A 386 13.162 -25.629 2.850 1.00 0.00 C ATOM 167 C GLU A 386 11.719 -26.129 2.720 1.00 0.00 C ATOM 168 O GLU A 386 11.458 -27.007 1.898 1.00 0.00 O ATOM 169 CB GLU A 386 13.812 -25.989 4.197 1.00 0.00 C ATOM 170 CG GLU A 386 15.346 -25.908 4.208 1.00 0.00 C ATOM 171 CD GLU A 386 15.991 -26.527 2.971 1.00 0.00 C ATOM 172 OE1 GLU A 386 16.162 -27.763 2.971 1.00 0.00 O ATOM 173 OE2 GLU A 386 16.259 -25.760 2.019 1.00 0.00 O ATOM 0 H GLU A 386 13.717 -23.641 3.264 1.00 0.00 H new ATOM 0 HA GLU A 386 13.745 -26.162 2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 386 13.420 -25.321 4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 386 13.513 -27.001 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 386 15.647 -24.863 4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 386 15.723 -26.413 5.097 1.00 0.00 H new ATOM 180 N GLU A 387 10.777 -25.577 3.486 1.00 0.00 N ATOM 181 CA GLU A 387 9.390 -26.005 3.408 1.00 0.00 C ATOM 182 C GLU A 387 8.749 -25.690 2.048 1.00 0.00 C ATOM 183 O GLU A 387 8.093 -26.553 1.475 1.00 0.00 O ATOM 184 CB GLU A 387 8.580 -25.421 4.568 1.00 0.00 C ATOM 185 CG GLU A 387 9.214 -25.702 5.937 1.00 0.00 C ATOM 186 CD GLU A 387 9.978 -24.494 6.466 1.00 0.00 C ATOM 187 OE1 GLU A 387 10.713 -23.876 5.666 1.00 0.00 O ATOM 188 OE2 GLU A 387 9.774 -24.189 7.660 1.00 0.00 O ATOM 0 H GLU A 387 10.954 -24.835 4.164 1.00 0.00 H new ATOM 0 HA GLU A 387 9.381 -27.091 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 387 8.483 -24.344 4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.573 -25.837 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 387 8.436 -25.980 6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 387 9.890 -26.553 5.856 1.00 0.00 H new ATOM 195 N ASP A 388 8.912 -24.473 1.518 1.00 0.00 N ATOM 196 CA ASP A 388 8.311 -24.079 0.244 1.00 0.00 C ATOM 197 C ASP A 388 8.828 -24.895 -0.946 1.00 0.00 C ATOM 198 O ASP A 388 8.047 -25.363 -1.770 1.00 0.00 O ATOM 199 CB ASP A 388 8.541 -22.582 0.001 1.00 0.00 C ATOM 200 CG ASP A 388 7.816 -21.711 1.017 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.629 -21.988 1.292 1.00 0.00 O ATOM 202 OD2 ASP A 388 8.435 -20.733 1.488 1.00 0.00 O ATOM 0 H ASP A 388 9.463 -23.737 1.960 1.00 0.00 H new ATOM 0 HA ASP A 388 7.244 -24.286 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.609 -22.370 0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 388 8.203 -22.323 -1.002 1.00 0.00 H new ATOM 207 N LYS A 389 10.147 -25.058 -1.041 1.00 0.00 N ATOM 208 CA LYS A 389 10.840 -25.796 -2.088 1.00 0.00 C ATOM 209 C LYS A 389 10.407 -27.267 -2.006 1.00 0.00 C ATOM 210 O LYS A 389 10.061 -27.877 -3.019 1.00 0.00 O ATOM 211 CB LYS A 389 12.361 -25.591 -1.918 1.00 0.00 C ATOM 212 CG LYS A 389 13.196 -26.218 -3.039 1.00 0.00 C ATOM 213 CD LYS A 389 14.699 -25.947 -2.864 1.00 0.00 C ATOM 214 CE LYS A 389 15.292 -26.470 -1.541 1.00 0.00 C ATOM 215 NZ LYS A 389 15.173 -25.501 -0.431 1.00 0.00 N ATOM 0 H LYS A 389 10.789 -24.659 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 389 10.583 -25.436 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.572 -24.523 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.672 -26.017 -0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 389 13.023 -27.294 -3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 389 12.867 -25.823 -4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 389 15.237 -26.404 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.871 -24.872 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 389 14.787 -27.395 -1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 389 16.344 -26.714 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 15.935 -25.666 0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 15.247 -24.534 -0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 14.252 -25.621 0.038 1.00 0.00 H new ATOM 229 N ASN A 390 10.406 -27.830 -0.789 1.00 0.00 N ATOM 230 CA ASN A 390 9.987 -29.202 -0.530 1.00 0.00 C ATOM 231 C ASN A 390 8.523 -29.392 -0.946 1.00 0.00 C ATOM 232 O ASN A 390 8.178 -30.370 -1.605 1.00 0.00 O ATOM 233 CB ASN A 390 10.207 -29.500 0.956 1.00 0.00 C ATOM 234 CG ASN A 390 9.867 -30.926 1.361 1.00 0.00 C ATOM 235 OD1 ASN A 390 10.031 -31.851 0.572 1.00 0.00 O ATOM 236 ND2 ASN A 390 9.429 -31.097 2.609 1.00 0.00 N ATOM 0 H ASN A 390 10.702 -27.332 0.051 1.00 0.00 H new ATOM 0 HA ASN A 390 10.577 -29.904 -1.118 1.00 0.00 H new ATOM 0 HB2 ASN A 390 11.250 -29.302 1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.602 -28.812 1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 390 9.212 -32.034 2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 390 9.311 -30.291 3.223 1.00 0.00 H new ATOM 243 N LEU A 391 7.659 -28.439 -0.579 1.00 0.00 N ATOM 244 CA LEU A 391 6.246 -28.459 -0.923 1.00 0.00 C ATOM 245 C LEU A 391 6.079 -28.410 -2.442 1.00 0.00 C ATOM 246 O LEU A 391 5.287 -29.170 -2.990 1.00 0.00 O ATOM 247 CB LEU A 391 5.520 -27.309 -0.210 1.00 0.00 C ATOM 248 CG LEU A 391 4.035 -27.185 -0.579 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.258 -28.483 -0.347 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.410 -26.050 0.241 1.00 0.00 C ATOM 0 H LEU A 391 7.932 -27.625 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 391 5.791 -29.388 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.606 -27.451 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.023 -26.372 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 391 3.975 -26.968 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.214 -28.337 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.688 -29.278 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.318 -28.760 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.355 -25.955 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.507 -26.273 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 391 3.923 -25.115 0.018 1.00 0.00 H new ATOM 262 N ARG A 392 6.831 -27.541 -3.129 1.00 0.00 N ATOM 263 CA ARG A 392 6.781 -27.428 -4.580 1.00 0.00 C ATOM 264 C ARG A 392 7.090 -28.792 -5.204 1.00 0.00 C ATOM 265 O ARG A 392 6.366 -29.239 -6.093 1.00 0.00 O ATOM 266 CB ARG A 392 7.732 -26.323 -5.061 1.00 0.00 C ATOM 267 CG ARG A 392 7.566 -26.050 -6.562 1.00 0.00 C ATOM 268 CD ARG A 392 8.396 -24.833 -6.983 1.00 0.00 C ATOM 269 NE ARG A 392 8.108 -24.449 -8.372 1.00 0.00 N ATOM 270 CZ ARG A 392 8.748 -23.480 -9.050 1.00 0.00 C ATOM 271 NH1 ARG A 392 9.749 -22.800 -8.476 1.00 0.00 N ATOM 272 NH2 ARG A 392 8.383 -23.191 -10.307 1.00 0.00 N ATOM 0 H ARG A 392 7.490 -26.899 -2.688 1.00 0.00 H new ATOM 0 HA ARG A 392 5.781 -27.138 -4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 392 7.541 -25.408 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.762 -26.613 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 392 7.877 -26.925 -7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 392 6.515 -25.877 -6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 392 8.181 -23.996 -6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 392 9.457 -25.059 -6.878 1.00 0.00 H new ATOM 0 HE ARG A 392 7.368 -24.955 -8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 392 10.030 -23.016 -7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 392 10.231 -22.066 -8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 392 7.621 -23.706 -10.748 1.00 0.00 H new ATOM 0 HH22 ARG A 392 8.867 -22.456 -10.823 1.00 0.00 H new ATOM 286 N SER A 393 8.144 -29.465 -4.719 1.00 0.00 N ATOM 287 CA SER A 393 8.514 -30.799 -5.183 1.00 0.00 C ATOM 288 C SER A 393 7.316 -31.741 -4.997 1.00 0.00 C ATOM 289 O SER A 393 6.955 -32.483 -5.910 1.00 0.00 O ATOM 290 CB SER A 393 9.747 -31.291 -4.413 1.00 0.00 C ATOM 291 OG SER A 393 10.189 -32.543 -4.899 1.00 0.00 O ATOM 0 H SER A 393 8.760 -29.095 -3.995 1.00 0.00 H new ATOM 0 HA SER A 393 8.773 -30.776 -6.241 1.00 0.00 H new ATOM 0 HB2 SER A 393 10.550 -30.560 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.508 -31.374 -3.353 1.00 0.00 H new ATOM 0 HG SER A 393 10.200 -33.193 -4.166 1.00 0.00 H new ATOM 297 N GLY A 394 6.696 -31.684 -3.812 1.00 0.00 N ATOM 298 CA GLY A 394 5.530 -32.475 -3.458 1.00 0.00 C ATOM 299 C GLY A 394 4.394 -32.293 -4.464 1.00 0.00 C ATOM 300 O GLY A 394 3.939 -33.270 -5.051 1.00 0.00 O ATOM 0 H GLY A 394 7.006 -31.069 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 394 5.807 -33.528 -3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.185 -32.189 -2.464 1.00 0.00 H new ATOM 304 N VAL A 395 3.937 -31.052 -4.666 1.00 0.00 N ATOM 305 CA VAL A 395 2.857 -30.737 -5.594 1.00 0.00 C ATOM 306 C VAL A 395 3.209 -31.204 -7.008 1.00 0.00 C ATOM 307 O VAL A 395 2.365 -31.777 -7.690 1.00 0.00 O ATOM 308 CB VAL A 395 2.509 -29.237 -5.538 1.00 0.00 C ATOM 309 CG1 VAL A 395 1.449 -28.880 -6.591 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.950 -28.869 -4.156 1.00 0.00 C ATOM 0 H VAL A 395 4.312 -30.235 -4.184 1.00 0.00 H new ATOM 0 HA VAL A 395 1.962 -31.281 -5.292 1.00 0.00 H new ATOM 0 HB VAL A 395 3.426 -28.682 -5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 395 1.221 -27.816 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.830 -29.114 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.543 -29.457 -6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.709 -27.806 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 395 1.048 -29.450 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.695 -29.089 -3.392 1.00 0.00 H new ATOM 320 N ARG A 396 4.446 -30.976 -7.461 1.00 0.00 N ATOM 321 CA ARG A 396 4.861 -31.402 -8.791 1.00 0.00 C ATOM 322 C ARG A 396 4.764 -32.923 -8.957 1.00 0.00 C ATOM 323 O ARG A 396 4.367 -33.393 -10.020 1.00 0.00 O ATOM 324 CB ARG A 396 6.280 -30.908 -9.095 1.00 0.00 C ATOM 325 CG ARG A 396 6.277 -29.403 -9.397 1.00 0.00 C ATOM 326 CD ARG A 396 7.699 -28.871 -9.619 1.00 0.00 C ATOM 327 NE ARG A 396 8.402 -29.576 -10.703 1.00 0.00 N ATOM 328 CZ ARG A 396 8.181 -29.418 -12.020 1.00 0.00 C ATOM 329 NH1 ARG A 396 7.250 -28.561 -12.459 1.00 0.00 N ATOM 330 NH2 ARG A 396 8.898 -30.127 -12.901 1.00 0.00 N ATOM 0 H ARG A 396 5.171 -30.500 -6.924 1.00 0.00 H new ATOM 0 HA ARG A 396 4.176 -30.954 -9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 396 6.931 -31.112 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 396 6.686 -31.454 -9.946 1.00 0.00 H new ATOM 0 HG2 ARG A 396 5.673 -29.210 -10.283 1.00 0.00 H new ATOM 0 HG3 ARG A 396 5.811 -28.866 -8.571 1.00 0.00 H new ATOM 0 HD2 ARG A 396 7.653 -27.807 -9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 396 8.269 -28.971 -8.695 1.00 0.00 H new ATOM 0 HE ARG A 396 9.122 -30.245 -10.431 1.00 0.00 H new ATOM 0 HH11 ARG A 396 6.700 -28.020 -11.792 1.00 0.00 H new ATOM 0 HH12 ARG A 396 7.091 -28.449 -13.460 1.00 0.00 H new ATOM 0 HH21 ARG A 396 9.607 -30.782 -12.572 1.00 0.00 H new ATOM 0 HH22 ARG A 396 8.735 -30.012 -13.901 1.00 0.00 H new ATOM 344 N LYS A 397 5.130 -33.694 -7.927 1.00 0.00 N ATOM 345 CA LYS A 397 5.097 -35.149 -7.989 1.00 0.00 C ATOM 346 C LYS A 397 3.702 -35.751 -7.812 1.00 0.00 C ATOM 347 O LYS A 397 3.286 -36.580 -8.618 1.00 0.00 O ATOM 348 CB LYS A 397 6.032 -35.741 -6.926 1.00 0.00 C ATOM 349 CG LYS A 397 7.502 -35.546 -7.302 1.00 0.00 C ATOM 350 CD LYS A 397 8.387 -36.275 -6.285 1.00 0.00 C ATOM 351 CE LYS A 397 9.872 -36.162 -6.645 1.00 0.00 C ATOM 352 NZ LYS A 397 10.358 -34.774 -6.540 1.00 0.00 N ATOM 0 H LYS A 397 5.455 -33.324 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 397 5.428 -35.408 -8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 397 5.836 -35.269 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 397 5.823 -36.804 -6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 397 7.687 -35.932 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 397 7.747 -34.484 -7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 397 8.220 -35.858 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 397 8.102 -37.326 -6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 397 10.456 -36.802 -5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 397 10.028 -36.526 -7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 11.374 -34.745 -6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 9.841 -34.173 -7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 10.201 -34.424 -5.573 1.00 0.00 H new ATOM 366 N TYR A 398 3.012 -35.382 -6.729 1.00 0.00 N ATOM 367 CA TYR A 398 1.724 -35.952 -6.342 1.00 0.00 C ATOM 368 C TYR A 398 0.502 -35.099 -6.690 1.00 0.00 C ATOM 369 O TYR A 398 -0.614 -35.494 -6.360 1.00 0.00 O ATOM 370 CB TYR A 398 1.809 -36.300 -4.846 1.00 0.00 C ATOM 371 CG TYR A 398 3.140 -36.951 -4.493 1.00 0.00 C ATOM 372 CD1 TYR A 398 3.459 -38.221 -5.008 1.00 0.00 C ATOM 373 CD2 TYR A 398 4.069 -36.280 -3.676 1.00 0.00 C ATOM 374 CE1 TYR A 398 4.699 -38.813 -4.710 1.00 0.00 C ATOM 375 CE2 TYR A 398 5.308 -36.872 -3.377 1.00 0.00 C ATOM 376 CZ TYR A 398 5.624 -38.138 -3.895 1.00 0.00 C ATOM 377 OH TYR A 398 6.829 -38.708 -3.608 1.00 0.00 O ATOM 0 H TYR A 398 3.343 -34.663 -6.085 1.00 0.00 H new ATOM 0 HA TYR A 398 1.552 -36.848 -6.938 1.00 0.00 H new ATOM 0 HB2 TYR A 398 1.679 -35.394 -4.254 1.00 0.00 H new ATOM 0 HB3 TYR A 398 0.993 -36.973 -4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 398 2.750 -38.742 -5.634 1.00 0.00 H new ATOM 0 HD2 TYR A 398 3.829 -35.306 -3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 398 4.941 -39.787 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 398 6.017 -36.353 -2.749 1.00 0.00 H new ATOM 0 HH TYR A 398 7.347 -38.106 -3.033 1.00 0.00 H new ATOM 387 N GLY A 399 0.689 -33.954 -7.358 1.00 0.00 N ATOM 388 CA GLY A 399 -0.399 -33.070 -7.755 1.00 0.00 C ATOM 389 C GLY A 399 -0.922 -32.246 -6.580 1.00 0.00 C ATOM 390 O GLY A 399 -0.599 -32.514 -5.423 1.00 0.00 O ATOM 0 H GLY A 399 1.610 -33.618 -7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.053 -32.400 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.213 -33.662 -8.174 1.00 0.00 H new ATOM 394 N GLU A 400 -1.749 -31.235 -6.877 1.00 0.00 N ATOM 395 CA GLU A 400 -2.351 -30.396 -5.851 1.00 0.00 C ATOM 396 C GLU A 400 -3.514 -31.178 -5.231 1.00 0.00 C ATOM 397 O GLU A 400 -4.018 -32.123 -5.837 1.00 0.00 O ATOM 398 CB GLU A 400 -2.786 -29.049 -6.454 1.00 0.00 C ATOM 399 CG GLU A 400 -3.011 -28.001 -5.355 1.00 0.00 C ATOM 400 CD GLU A 400 -3.320 -26.620 -5.915 1.00 0.00 C ATOM 401 OE1 GLU A 400 -2.419 -26.039 -6.556 1.00 0.00 O ATOM 402 OE2 GLU A 400 -4.439 -26.118 -5.674 1.00 0.00 O ATOM 0 H GLU A 400 -2.013 -30.983 -7.829 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.637 -30.156 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.025 -28.695 -7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.703 -29.183 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.834 -28.322 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.122 -27.943 -4.726 1.00 0.00 H new ATOM 409 N GLY A 401 -3.938 -30.808 -4.020 1.00 0.00 N ATOM 410 CA GLY A 401 -5.027 -31.489 -3.333 1.00 0.00 C ATOM 411 C GLY A 401 -4.659 -32.924 -2.958 1.00 0.00 C ATOM 412 O GLY A 401 -5.506 -33.813 -2.982 1.00 0.00 O ATOM 0 H GLY A 401 -3.536 -30.032 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.290 -30.935 -2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -5.910 -31.496 -3.972 1.00 0.00 H new ATOM 416 N ASN A 402 -3.387 -33.136 -2.605 1.00 0.00 N ATOM 417 CA ASN A 402 -2.831 -34.419 -2.193 1.00 0.00 C ATOM 418 C ASN A 402 -1.846 -34.142 -1.055 1.00 0.00 C ATOM 419 O ASN A 402 -0.743 -34.685 -1.020 1.00 0.00 O ATOM 420 CB ASN A 402 -2.154 -35.110 -3.389 1.00 0.00 C ATOM 421 CG ASN A 402 -3.157 -35.681 -4.389 1.00 0.00 C ATOM 422 OD1 ASN A 402 -3.500 -36.859 -4.309 1.00 0.00 O ATOM 423 ND2 ASN A 402 -3.634 -34.876 -5.337 1.00 0.00 N ATOM 0 H ASN A 402 -2.694 -32.387 -2.600 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.609 -35.097 -1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -1.508 -34.395 -3.898 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -1.514 -35.914 -3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -4.302 -35.233 -6.021 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -3.332 -33.903 -5.379 1.00 0.00 H new ATOM 430 N TRP A 403 -2.253 -33.274 -0.123 1.00 0.00 N ATOM 431 CA TRP A 403 -1.449 -32.858 1.019 1.00 0.00 C ATOM 432 C TRP A 403 -1.077 -34.045 1.907 1.00 0.00 C ATOM 433 O TRP A 403 -0.019 -34.027 2.530 1.00 0.00 O ATOM 434 CB TRP A 403 -2.132 -31.716 1.783 1.00 0.00 C ATOM 435 CG TRP A 403 -2.910 -30.781 0.911 1.00 0.00 C ATOM 436 CD1 TRP A 403 -4.257 -30.719 0.829 1.00 0.00 C ATOM 437 CD2 TRP A 403 -2.406 -29.785 -0.025 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.625 -29.760 -0.092 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.521 -29.154 -0.647 1.00 0.00 C ATOM 440 CE3 TRP A 403 -1.119 -29.355 -0.416 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -3.373 -28.147 -1.609 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.958 -28.341 -1.379 1.00 0.00 C ATOM 443 CH2 TRP A 403 -2.081 -27.741 -1.970 1.00 0.00 C ATOM 0 H TRP A 403 -3.173 -32.834 -0.147 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.504 -32.460 0.649 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.802 -32.142 2.530 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.373 -31.148 2.322 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.943 -31.329 1.399 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.590 -29.530 -0.331 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -0.247 -29.810 0.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -4.240 -27.691 -2.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.034 -28.023 -1.664 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.949 -26.962 -2.707 1.00 0.00 H new ATOM 454 N SER A 404 -1.922 -35.082 1.949 1.00 0.00 N ATOM 455 CA SER A 404 -1.675 -36.294 2.717 1.00 0.00 C ATOM 456 C SER A 404 -0.433 -36.989 2.161 1.00 0.00 C ATOM 457 O SER A 404 0.525 -37.247 2.886 1.00 0.00 O ATOM 458 CB SER A 404 -2.894 -37.222 2.631 1.00 0.00 C ATOM 459 OG SER A 404 -3.301 -37.417 1.285 1.00 0.00 O ATOM 0 H SER A 404 -2.807 -35.097 1.441 1.00 0.00 H new ATOM 0 HA SER A 404 -1.508 -36.043 3.764 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.654 -38.184 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 404 -3.718 -36.797 3.204 1.00 0.00 H new ATOM 0 HG SER A 404 -4.078 -38.014 1.261 1.00 0.00 H new ATOM 465 N LYS A 405 -0.465 -37.277 0.857 1.00 0.00 N ATOM 466 CA LYS A 405 0.618 -37.926 0.138 1.00 0.00 C ATOM 467 C LYS A 405 1.886 -37.089 0.289 1.00 0.00 C ATOM 468 O LYS A 405 2.928 -37.612 0.673 1.00 0.00 O ATOM 469 CB LYS A 405 0.241 -38.124 -1.337 1.00 0.00 C ATOM 470 CG LYS A 405 -1.070 -38.906 -1.483 1.00 0.00 C ATOM 471 CD LYS A 405 -1.334 -39.246 -2.955 1.00 0.00 C ATOM 472 CE LYS A 405 -2.672 -39.976 -3.142 1.00 0.00 C ATOM 473 NZ LYS A 405 -3.829 -39.135 -2.774 1.00 0.00 N ATOM 0 H LYS A 405 -1.266 -37.058 0.265 1.00 0.00 H new ATOM 0 HA LYS A 405 0.801 -38.915 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.142 -37.153 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 405 1.042 -38.656 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -1.020 -39.823 -0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -1.897 -38.317 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -1.335 -38.329 -3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -0.524 -39.869 -3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -2.770 -40.289 -4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -2.677 -40.881 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -4.703 -39.570 -3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -3.884 -39.053 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -3.717 -38.189 -3.190 1.00 0.00 H new ATOM 487 N ILE A 406 1.788 -35.786 0.004 1.00 0.00 N ATOM 488 CA ILE A 406 2.903 -34.857 0.121 1.00 0.00 C ATOM 489 C ILE A 406 3.521 -34.952 1.518 1.00 0.00 C ATOM 490 O ILE A 406 4.728 -35.135 1.628 1.00 0.00 O ATOM 491 CB ILE A 406 2.439 -33.433 -0.242 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.168 -33.363 -1.756 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.481 -32.385 0.166 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.444 -32.089 -2.194 1.00 0.00 C ATOM 0 H ILE A 406 0.924 -35.349 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 406 3.689 -35.122 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 406 1.523 -33.211 0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.116 -33.433 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.573 -34.228 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.123 -31.392 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 406 3.642 -32.432 1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.420 -32.585 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.288 -32.112 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.480 -32.027 -1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.047 -31.220 -1.933 1.00 0.00 H new ATOM 506 N LEU A 407 2.710 -34.844 2.576 1.00 0.00 N ATOM 507 CA LEU A 407 3.160 -34.924 3.961 1.00 0.00 C ATOM 508 C LEU A 407 3.815 -36.277 4.271 1.00 0.00 C ATOM 509 O LEU A 407 4.799 -36.332 5.008 1.00 0.00 O ATOM 510 CB LEU A 407 1.965 -34.653 4.889 1.00 0.00 C ATOM 511 CG LEU A 407 2.280 -34.715 6.392 1.00 0.00 C ATOM 512 CD1 LEU A 407 3.363 -33.714 6.814 1.00 0.00 C ATOM 513 CD2 LEU A 407 0.993 -34.420 7.172 1.00 0.00 C ATOM 0 H LEU A 407 1.705 -34.696 2.487 1.00 0.00 H new ATOM 0 HA LEU A 407 3.927 -34.168 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 407 1.562 -33.667 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 407 1.181 -35.377 4.668 1.00 0.00 H new ATOM 0 HG LEU A 407 2.661 -35.713 6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 407 3.543 -33.803 7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 407 4.285 -33.925 6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 407 3.031 -32.701 6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 407 1.199 -34.460 8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 407 0.628 -33.427 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 407 0.236 -35.163 6.920 1.00 0.00 H new ATOM 525 N LEU A 408 3.270 -37.368 3.722 1.00 0.00 N ATOM 526 CA LEU A 408 3.776 -38.716 3.944 1.00 0.00 C ATOM 527 C LEU A 408 5.161 -38.880 3.320 1.00 0.00 C ATOM 528 O LEU A 408 6.112 -39.256 4.004 1.00 0.00 O ATOM 529 CB LEU A 408 2.750 -39.725 3.401 1.00 0.00 C ATOM 530 CG LEU A 408 3.065 -41.201 3.710 1.00 0.00 C ATOM 531 CD1 LEU A 408 1.755 -41.999 3.689 1.00 0.00 C ATOM 532 CD2 LEU A 408 4.023 -41.835 2.690 1.00 0.00 C ATOM 0 H LEU A 408 2.458 -37.334 3.106 1.00 0.00 H new ATOM 0 HA LEU A 408 3.902 -38.905 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 408 1.771 -39.483 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 408 2.679 -39.602 2.320 1.00 0.00 H new ATOM 0 HG LEU A 408 3.548 -41.229 4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 408 1.964 -43.047 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 408 1.074 -41.601 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 408 1.295 -41.917 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 408 4.207 -42.875 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 408 3.577 -41.792 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 408 4.966 -41.288 2.688 1.00 0.00 H new ATOM 544 N HIS A 409 5.268 -38.612 2.016 1.00 0.00 N ATOM 545 CA HIS A 409 6.506 -38.742 1.262 1.00 0.00 C ATOM 546 C HIS A 409 7.566 -37.743 1.726 1.00 0.00 C ATOM 547 O HIS A 409 8.729 -38.106 1.885 1.00 0.00 O ATOM 548 CB HIS A 409 6.208 -38.567 -0.231 1.00 0.00 C ATOM 549 CG HIS A 409 5.242 -39.590 -0.774 1.00 0.00 C ATOM 550 ND1 HIS A 409 5.483 -40.954 -0.709 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.022 -39.470 -1.397 1.00 0.00 C ATOM 552 CE1 HIS A 409 4.434 -41.572 -1.277 1.00 0.00 C ATOM 553 NE2 HIS A 409 3.505 -40.721 -1.718 1.00 0.00 N ATOM 0 H HIS A 409 4.481 -38.294 1.450 1.00 0.00 H new ATOM 0 HA HIS A 409 6.914 -39.737 1.439 1.00 0.00 H new ATOM 0 HB2 HIS A 409 5.801 -37.570 -0.398 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.142 -38.628 -0.790 1.00 0.00 H new ATOM 0 HD2 HIS A 409 3.531 -38.531 -1.609 1.00 0.00 H new ATOM 0 HE1 HIS A 409 4.351 -42.645 -1.367 1.00 0.00 H new ATOM 0 HE2 HIS A 409 2.623 -40.937 -2.182 1.00 0.00 H new ATOM 561 N TYR A 410 7.159 -36.487 1.927 1.00 0.00 N ATOM 562 CA TYR A 410 8.013 -35.392 2.351 1.00 0.00 C ATOM 563 C TYR A 410 7.535 -34.830 3.688 1.00 0.00 C ATOM 564 O TYR A 410 6.475 -34.216 3.757 1.00 0.00 O ATOM 565 CB TYR A 410 7.962 -34.271 1.305 1.00 0.00 C ATOM 566 CG TYR A 410 8.635 -34.529 -0.030 1.00 0.00 C ATOM 567 CD1 TYR A 410 9.965 -34.985 -0.079 1.00 0.00 C ATOM 568 CD2 TYR A 410 7.934 -34.290 -1.227 1.00 0.00 C ATOM 569 CE1 TYR A 410 10.590 -35.203 -1.318 1.00 0.00 C ATOM 570 CE2 TYR A 410 8.561 -34.507 -2.467 1.00 0.00 C ATOM 571 CZ TYR A 410 9.889 -34.963 -2.511 1.00 0.00 C ATOM 572 OH TYR A 410 10.508 -35.168 -3.710 1.00 0.00 O ATOM 0 H TYR A 410 6.189 -36.202 1.792 1.00 0.00 H new ATOM 0 HA TYR A 410 9.031 -35.767 2.458 1.00 0.00 H new ATOM 0 HB2 TYR A 410 6.915 -34.036 1.114 1.00 0.00 H new ATOM 0 HB3 TYR A 410 8.414 -33.381 1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.506 -35.168 0.837 1.00 0.00 H new ATOM 0 HD2 TYR A 410 6.913 -33.939 -1.193 1.00 0.00 H new ATOM 0 HE1 TYR A 410 11.610 -35.555 -1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 410 8.022 -34.323 -3.385 1.00 0.00 H new ATOM 0 HH TYR A 410 10.500 -36.125 -3.923 1.00 0.00 H new ATOM 582 N LYS A 411 8.330 -35.004 4.748 1.00 0.00 N ATOM 583 CA LYS A 411 8.000 -34.452 6.055 1.00 0.00 C ATOM 584 C LYS A 411 8.308 -32.949 6.060 1.00 0.00 C ATOM 585 O LYS A 411 9.001 -32.455 5.170 1.00 0.00 O ATOM 586 CB LYS A 411 8.741 -35.215 7.164 1.00 0.00 C ATOM 587 CG LYS A 411 10.272 -35.136 7.051 1.00 0.00 C ATOM 588 CD LYS A 411 10.970 -35.770 8.264 1.00 0.00 C ATOM 589 CE LYS A 411 10.697 -37.276 8.377 1.00 0.00 C ATOM 590 NZ LYS A 411 11.483 -37.894 9.461 1.00 0.00 N ATOM 0 H LYS A 411 9.207 -35.524 4.721 1.00 0.00 H new ATOM 0 HA LYS A 411 6.936 -34.574 6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 411 8.436 -34.818 8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 411 8.437 -36.261 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 411 10.595 -35.642 6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 411 10.576 -34.093 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 411 12.045 -35.603 8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 411 10.633 -35.273 9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 411 9.635 -37.440 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.938 -37.761 7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 11.272 -38.911 9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 12.497 -37.759 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 11.235 -37.448 10.367 1.00 0.00 H new ATOM 604 N PHE A 412 7.795 -32.225 7.062 1.00 0.00 N ATOM 605 CA PHE A 412 7.992 -30.787 7.221 1.00 0.00 C ATOM 606 C PHE A 412 8.247 -30.454 8.694 1.00 0.00 C ATOM 607 O PHE A 412 8.167 -31.330 9.553 1.00 0.00 O ATOM 608 CB PHE A 412 6.774 -30.023 6.686 1.00 0.00 C ATOM 609 CG PHE A 412 6.507 -30.173 5.201 1.00 0.00 C ATOM 610 CD1 PHE A 412 5.760 -31.263 4.717 1.00 0.00 C ATOM 611 CD2 PHE A 412 7.002 -29.216 4.297 1.00 0.00 C ATOM 612 CE1 PHE A 412 5.512 -31.393 3.341 1.00 0.00 C ATOM 613 CE2 PHE A 412 6.749 -29.348 2.922 1.00 0.00 C ATOM 614 CZ PHE A 412 6.005 -30.435 2.439 1.00 0.00 C ATOM 0 H PHE A 412 7.220 -32.635 7.798 1.00 0.00 H new ATOM 0 HA PHE A 412 8.864 -30.479 6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 412 5.891 -30.356 7.231 1.00 0.00 H new ATOM 0 HB3 PHE A 412 6.906 -28.964 6.908 1.00 0.00 H new ATOM 0 HD1 PHE A 412 5.377 -32.001 5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 412 7.578 -28.378 4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 412 4.940 -32.233 2.975 1.00 0.00 H new ATOM 0 HE2 PHE A 412 7.129 -28.609 2.233 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.812 -30.535 1.381 1.00 0.00 H new ATOM 624 N ASN A 413 8.563 -29.183 8.977 1.00 0.00 N ATOM 625 CA ASN A 413 8.873 -28.687 10.313 1.00 0.00 C ATOM 626 C ASN A 413 7.729 -28.891 11.316 1.00 0.00 C ATOM 627 O ASN A 413 7.882 -29.649 12.271 1.00 0.00 O ATOM 628 CB ASN A 413 9.298 -27.213 10.228 1.00 0.00 C ATOM 629 CG ASN A 413 9.793 -26.700 11.578 1.00 0.00 C ATOM 630 OD1 ASN A 413 10.937 -26.936 11.952 1.00 0.00 O ATOM 631 ND2 ASN A 413 8.942 -25.991 12.317 1.00 0.00 N ATOM 0 H ASN A 413 8.610 -28.458 8.261 1.00 0.00 H new ATOM 0 HA ASN A 413 9.702 -29.279 10.700 1.00 0.00 H new ATOM 0 HB2 ASN A 413 10.086 -27.102 9.483 1.00 0.00 H new ATOM 0 HB3 ASN A 413 8.455 -26.608 9.893 1.00 0.00 H new ATOM 0 HD21 ASN A 413 9.235 -25.626 13.223 1.00 0.00 H new ATOM 0 HD22 ASN A 413 7.997 -25.813 11.977 1.00 0.00 H new ATOM 638 N ASN A 414 6.595 -28.208 11.115 1.00 0.00 N ATOM 639 CA ASN A 414 5.428 -28.280 11.998 1.00 0.00 C ATOM 640 C ASN A 414 4.136 -28.086 11.201 1.00 0.00 C ATOM 641 O ASN A 414 3.177 -27.502 11.700 1.00 0.00 O ATOM 642 CB ASN A 414 5.553 -27.209 13.098 1.00 0.00 C ATOM 643 CG ASN A 414 5.435 -25.778 12.555 1.00 0.00 C ATOM 644 OD1 ASN A 414 6.210 -25.376 11.690 1.00 0.00 O ATOM 645 ND2 ASN A 414 4.471 -25.007 13.059 1.00 0.00 N ATOM 0 H ASN A 414 6.462 -27.581 10.322 1.00 0.00 H new ATOM 0 HA ASN A 414 5.390 -29.266 12.461 1.00 0.00 H new ATOM 0 HB2 ASN A 414 4.778 -27.373 13.847 1.00 0.00 H new ATOM 0 HB3 ASN A 414 6.513 -27.323 13.602 1.00 0.00 H new ATOM 0 HD21 ASN A 414 4.358 -24.049 12.727 1.00 0.00 H new ATOM 0 HD22 ASN A 414 3.846 -25.375 13.776 1.00 0.00 H new ATOM 652 N ARG A 415 4.123 -28.555 9.951 1.00 0.00 N ATOM 653 CA ARG A 415 3.010 -28.403 9.032 1.00 0.00 C ATOM 654 C ARG A 415 2.112 -29.643 9.031 1.00 0.00 C ATOM 655 O ARG A 415 2.530 -30.726 9.439 1.00 0.00 O ATOM 656 CB ARG A 415 3.558 -28.090 7.631 1.00 0.00 C ATOM 657 CG ARG A 415 4.790 -27.168 7.625 1.00 0.00 C ATOM 658 CD ARG A 415 4.638 -25.825 8.352 1.00 0.00 C ATOM 659 NE ARG A 415 5.832 -25.004 8.109 1.00 0.00 N ATOM 660 CZ ARG A 415 6.170 -23.891 8.777 1.00 0.00 C ATOM 661 NH1 ARG A 415 5.316 -23.278 9.600 1.00 0.00 N ATOM 662 NH2 ARG A 415 7.393 -23.376 8.636 1.00 0.00 N ATOM 0 H ARG A 415 4.910 -29.063 9.547 1.00 0.00 H new ATOM 0 HA ARG A 415 2.383 -27.573 9.358 1.00 0.00 H new ATOM 0 HB2 ARG A 415 3.817 -29.027 7.137 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.768 -27.626 7.040 1.00 0.00 H new ATOM 0 HG2 ARG A 415 5.623 -27.708 8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 415 5.062 -26.967 6.589 1.00 0.00 H new ATOM 0 HD2 ARG A 415 3.747 -25.306 7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 415 4.507 -25.990 9.421 1.00 0.00 H new ATOM 0 HE ARG A 415 6.461 -25.308 7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 415 4.378 -23.655 9.734 1.00 0.00 H new ATOM 0 HH12 ARG A 415 5.602 -22.433 10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 415 8.069 -23.829 8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 415 7.652 -22.530 9.143 1.00 0.00 H new ATOM 676 N THR A 416 0.874 -29.466 8.565 1.00 0.00 N ATOM 677 CA THR A 416 -0.168 -30.476 8.453 1.00 0.00 C ATOM 678 C THR A 416 -0.800 -30.329 7.072 1.00 0.00 C ATOM 679 O THR A 416 -0.434 -29.420 6.330 1.00 0.00 O ATOM 680 CB THR A 416 -1.243 -30.217 9.521 1.00 0.00 C ATOM 681 OG1 THR A 416 -1.896 -28.986 9.250 1.00 0.00 O ATOM 682 CG2 THR A 416 -0.657 -30.197 10.937 1.00 0.00 C ATOM 0 H THR A 416 0.557 -28.554 8.236 1.00 0.00 H new ATOM 0 HA THR A 416 0.246 -31.475 8.592 1.00 0.00 H new ATOM 0 HB THR A 416 -1.959 -31.037 9.477 1.00 0.00 H new ATOM 0 HG1 THR A 416 -2.582 -28.823 9.930 1.00 0.00 H new ATOM 0 HG21 THR A 416 -1.453 -30.011 11.658 1.00 0.00 H new ATOM 0 HG22 THR A 416 -0.191 -31.159 11.152 1.00 0.00 H new ATOM 0 HG23 THR A 416 0.091 -29.407 11.010 1.00 0.00 H new ATOM 690 N SER A 417 -1.772 -31.182 6.730 1.00 0.00 N ATOM 691 CA SER A 417 -2.492 -31.089 5.466 1.00 0.00 C ATOM 692 C SER A 417 -3.078 -29.680 5.324 1.00 0.00 C ATOM 693 O SER A 417 -3.000 -29.067 4.261 1.00 0.00 O ATOM 694 CB SER A 417 -3.592 -32.157 5.430 1.00 0.00 C ATOM 695 OG SER A 417 -4.295 -32.175 6.657 1.00 0.00 O ATOM 0 H SER A 417 -2.077 -31.953 7.324 1.00 0.00 H new ATOM 0 HA SER A 417 -1.817 -31.266 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.281 -31.952 4.611 1.00 0.00 H new ATOM 0 HB3 SER A 417 -3.152 -33.136 5.240 1.00 0.00 H new ATOM 0 HG SER A 417 -4.996 -32.859 6.622 1.00 0.00 H new ATOM 701 N VAL A 418 -3.645 -29.169 6.423 1.00 0.00 N ATOM 702 CA VAL A 418 -4.233 -27.845 6.514 1.00 0.00 C ATOM 703 C VAL A 418 -3.171 -26.766 6.269 1.00 0.00 C ATOM 704 O VAL A 418 -3.396 -25.880 5.445 1.00 0.00 O ATOM 705 CB VAL A 418 -4.918 -27.667 7.881 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.513 -26.264 8.021 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.048 -28.683 8.082 1.00 0.00 C ATOM 0 H VAL A 418 -3.705 -29.690 7.298 1.00 0.00 H new ATOM 0 HA VAL A 418 -4.992 -27.737 5.740 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.146 -27.824 8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -5.990 -26.167 8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.720 -25.522 7.930 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.253 -26.103 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.508 -28.527 9.058 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -6.798 -28.552 7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -5.642 -29.693 8.030 1.00 0.00 H new ATOM 717 N MET A 419 -2.028 -26.820 6.973 1.00 0.00 N ATOM 718 CA MET A 419 -0.994 -25.801 6.786 1.00 0.00 C ATOM 719 C MET A 419 -0.437 -25.823 5.358 1.00 0.00 C ATOM 720 O MET A 419 -0.267 -24.769 4.754 1.00 0.00 O ATOM 721 CB MET A 419 0.154 -25.912 7.798 1.00 0.00 C ATOM 722 CG MET A 419 -0.277 -26.079 9.258 1.00 0.00 C ATOM 723 SD MET A 419 0.833 -25.304 10.457 1.00 0.00 S ATOM 724 CE MET A 419 0.164 -26.005 11.983 1.00 0.00 C ATOM 0 H MET A 419 -1.804 -27.541 7.659 1.00 0.00 H new ATOM 0 HA MET A 419 -1.488 -24.846 6.962 1.00 0.00 H new ATOM 0 HB2 MET A 419 0.780 -26.760 7.521 1.00 0.00 H new ATOM 0 HB3 MET A 419 0.774 -25.019 7.719 1.00 0.00 H new ATOM 0 HG2 MET A 419 -1.275 -25.658 9.380 1.00 0.00 H new ATOM 0 HG3 MET A 419 -0.350 -27.143 9.483 1.00 0.00 H new ATOM 0 HE1 MET A 419 0.733 -25.632 12.835 1.00 0.00 H new ATOM 0 HE2 MET A 419 -0.881 -25.714 12.090 1.00 0.00 H new ATOM 0 HE3 MET A 419 0.236 -27.092 11.946 1.00 0.00 H new ATOM 734 N LEU A 420 -0.160 -27.018 4.821 1.00 0.00 N ATOM 735 CA LEU A 420 0.359 -27.222 3.473 1.00 0.00 C ATOM 736 C LEU A 420 -0.596 -26.591 2.463 1.00 0.00 C ATOM 737 O LEU A 420 -0.182 -25.779 1.635 1.00 0.00 O ATOM 738 CB LEU A 420 0.539 -28.728 3.206 1.00 0.00 C ATOM 739 CG LEU A 420 1.700 -29.332 4.015 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.533 -30.845 4.178 1.00 0.00 C ATOM 741 CD2 LEU A 420 3.041 -29.099 3.319 1.00 0.00 C ATOM 0 H LEU A 420 -0.296 -27.891 5.331 1.00 0.00 H new ATOM 0 HA LEU A 420 1.333 -26.743 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.384 -29.251 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.719 -28.887 2.143 1.00 0.00 H new ATOM 0 HG LEU A 420 1.685 -28.839 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 420 2.368 -31.243 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.600 -31.054 4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.512 -31.317 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.841 -29.537 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 420 3.025 -29.565 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 420 3.214 -28.028 3.211 1.00 0.00 H new ATOM 753 N LYS A 421 -1.879 -26.957 2.560 1.00 0.00 N ATOM 754 CA LYS A 421 -2.934 -26.436 1.713 1.00 0.00 C ATOM 755 C LYS A 421 -2.929 -24.910 1.755 1.00 0.00 C ATOM 756 O LYS A 421 -2.735 -24.260 0.728 1.00 0.00 O ATOM 757 CB LYS A 421 -4.285 -26.975 2.212 1.00 0.00 C ATOM 758 CG LYS A 421 -5.496 -26.380 1.474 1.00 0.00 C ATOM 759 CD LYS A 421 -6.758 -26.417 2.344 1.00 0.00 C ATOM 760 CE LYS A 421 -6.759 -25.392 3.493 1.00 0.00 C ATOM 761 NZ LYS A 421 -8.086 -25.290 4.133 1.00 0.00 N ATOM 0 H LYS A 421 -2.209 -27.637 3.245 1.00 0.00 H new ATOM 0 HA LYS A 421 -2.772 -26.755 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.298 -28.059 2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.380 -26.764 3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -5.280 -25.351 1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.671 -26.936 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -7.628 -26.239 1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -6.868 -27.417 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -6.017 -25.680 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -6.464 -24.415 3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -8.048 -24.591 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -8.790 -24.991 3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -8.356 -26.216 4.521 1.00 0.00 H new ATOM 775 N ASP A 422 -3.172 -24.346 2.942 1.00 0.00 N ATOM 776 CA ASP A 422 -3.260 -22.910 3.118 1.00 0.00 C ATOM 777 C ASP A 422 -2.029 -22.171 2.602 1.00 0.00 C ATOM 778 O ASP A 422 -2.171 -21.190 1.877 1.00 0.00 O ATOM 779 CB ASP A 422 -3.583 -22.562 4.567 1.00 0.00 C ATOM 780 CG ASP A 422 -4.001 -21.104 4.641 1.00 0.00 C ATOM 781 OD1 ASP A 422 -5.085 -20.804 4.095 1.00 0.00 O ATOM 782 OD2 ASP A 422 -3.238 -20.318 5.242 1.00 0.00 O ATOM 0 H ASP A 422 -3.312 -24.879 3.801 1.00 0.00 H new ATOM 0 HA ASP A 422 -4.086 -22.559 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -4.382 -23.203 4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -2.713 -22.737 5.200 1.00 0.00 H new ATOM 787 N ARG A 423 -0.827 -22.644 2.948 1.00 0.00 N ATOM 788 CA ARG A 423 0.414 -22.038 2.486 1.00 0.00 C ATOM 789 C ARG A 423 0.425 -21.989 0.964 1.00 0.00 C ATOM 790 O ARG A 423 0.777 -20.962 0.388 1.00 0.00 O ATOM 791 CB ARG A 423 1.632 -22.821 2.993 1.00 0.00 C ATOM 792 CG ARG A 423 2.958 -22.298 2.408 1.00 0.00 C ATOM 793 CD ARG A 423 3.305 -20.885 2.890 1.00 0.00 C ATOM 794 NE ARG A 423 4.663 -20.492 2.477 1.00 0.00 N ATOM 795 CZ ARG A 423 5.155 -19.242 2.516 1.00 0.00 C ATOM 796 NH1 ARG A 423 4.399 -18.224 2.939 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.416 -18.996 2.145 1.00 0.00 N ATOM 0 H ARG A 423 -0.693 -23.454 3.553 1.00 0.00 H new ATOM 0 HA ARG A 423 0.472 -21.025 2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 423 1.670 -22.761 4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.516 -23.874 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 423 3.764 -22.978 2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 423 2.895 -22.300 1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 423 2.582 -20.175 2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 423 3.227 -20.841 3.976 1.00 0.00 H new ATOM 0 HE ARG A 423 5.280 -21.228 2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 423 3.438 -18.392 3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 423 4.783 -17.279 2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 423 7.013 -19.760 1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.781 -18.044 2.178 1.00 0.00 H new ATOM 811 N TRP A 424 0.047 -23.090 0.305 1.00 0.00 N ATOM 812 CA TRP A 424 0.031 -23.134 -1.139 1.00 0.00 C ATOM 813 C TRP A 424 -0.960 -22.111 -1.690 1.00 0.00 C ATOM 814 O TRP A 424 -0.622 -21.395 -2.629 1.00 0.00 O ATOM 815 CB TRP A 424 -0.258 -24.555 -1.607 1.00 0.00 C ATOM 816 CG TRP A 424 0.072 -24.798 -3.040 1.00 0.00 C ATOM 817 CD1 TRP A 424 -0.835 -24.971 -4.019 1.00 0.00 C ATOM 818 CD2 TRP A 424 1.377 -24.903 -3.681 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.197 -25.184 -5.222 1.00 0.00 N ATOM 820 CE2 TRP A 424 1.176 -25.150 -5.071 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.712 -24.815 -3.229 1.00 0.00 C ATOM 822 CZ2 TRP A 424 2.247 -25.304 -5.963 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.793 -24.969 -4.115 1.00 0.00 C ATOM 824 CH2 TRP A 424 3.561 -25.214 -5.480 1.00 0.00 C ATOM 0 H TRP A 424 -0.249 -23.954 0.758 1.00 0.00 H new ATOM 0 HA TRP A 424 1.010 -22.859 -1.531 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.309 -25.252 -0.990 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.314 -24.773 -1.446 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -1.906 -24.947 -3.882 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -0.676 -25.346 -6.108 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.906 -24.626 -2.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 2.062 -25.490 -7.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.805 -24.899 -3.746 1.00 0.00 H new ATOM 0 HH2 TRP A 424 4.394 -25.333 -6.157 1.00 0.00 H new ATOM 835 N ARG A 425 -2.166 -22.010 -1.110 1.00 0.00 N ATOM 836 CA ARG A 425 -3.148 -21.021 -1.551 1.00 0.00 C ATOM 837 C ARG A 425 -2.526 -19.625 -1.462 1.00 0.00 C ATOM 838 O ARG A 425 -2.533 -18.878 -2.440 1.00 0.00 O ATOM 839 CB ARG A 425 -4.439 -21.081 -0.717 1.00 0.00 C ATOM 840 CG ARG A 425 -5.177 -22.419 -0.851 1.00 0.00 C ATOM 841 CD ARG A 425 -6.586 -22.362 -0.246 1.00 0.00 C ATOM 842 NE ARG A 425 -6.589 -21.901 1.152 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.699 -21.608 1.850 1.00 0.00 C ATOM 844 NH1 ARG A 425 -8.909 -21.811 1.315 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.597 -21.106 3.086 1.00 0.00 N ATOM 0 H ARG A 425 -2.479 -22.600 -0.339 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.421 -21.245 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.196 -20.910 0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -5.103 -20.274 -1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.246 -22.691 -1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -4.602 -23.201 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.207 -21.695 -0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -7.039 -23.352 -0.298 1.00 0.00 H new ATOM 0 HE ARG A 425 -5.689 -21.797 1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -8.992 -22.190 0.372 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.748 -21.586 1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -6.677 -20.946 3.497 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -8.439 -20.883 3.617 1.00 0.00 H new ATOM 859 N THR A 426 -1.976 -19.288 -0.288 1.00 0.00 N ATOM 860 CA THR A 426 -1.322 -18.019 -0.009 1.00 0.00 C ATOM 861 C THR A 426 -0.261 -17.712 -1.064 1.00 0.00 C ATOM 862 O THR A 426 -0.245 -16.607 -1.609 1.00 0.00 O ATOM 863 CB THR A 426 -0.723 -18.050 1.405 1.00 0.00 C ATOM 864 OG1 THR A 426 -1.761 -18.263 2.339 1.00 0.00 O ATOM 865 CG2 THR A 426 -0.007 -16.748 1.767 1.00 0.00 C ATOM 0 H THR A 426 -1.978 -19.917 0.515 1.00 0.00 H new ATOM 0 HA THR A 426 -2.059 -17.217 -0.053 1.00 0.00 H new ATOM 0 HB THR A 426 0.011 -18.856 1.430 1.00 0.00 H new ATOM 0 HG1 THR A 426 -1.987 -19.216 2.366 1.00 0.00 H new ATOM 0 HG21 THR A 426 0.398 -16.824 2.776 1.00 0.00 H new ATOM 0 HG22 THR A 426 0.806 -16.572 1.063 1.00 0.00 H new ATOM 0 HG23 THR A 426 -0.713 -15.919 1.721 1.00 0.00 H new ATOM 873 N MET A 427 0.608 -18.692 -1.338 1.00 0.00 N ATOM 874 CA MET A 427 1.689 -18.602 -2.303 1.00 0.00 C ATOM 875 C MET A 427 1.137 -18.288 -3.696 1.00 0.00 C ATOM 876 O MET A 427 1.561 -17.309 -4.308 1.00 0.00 O ATOM 877 CB MET A 427 2.485 -19.915 -2.287 1.00 0.00 C ATOM 878 CG MET A 427 3.756 -19.840 -3.142 1.00 0.00 C ATOM 879 SD MET A 427 4.263 -21.389 -3.940 1.00 0.00 S ATOM 880 CE MET A 427 2.901 -21.595 -5.117 1.00 0.00 C ATOM 0 H MET A 427 0.569 -19.599 -0.872 1.00 0.00 H new ATOM 0 HA MET A 427 2.361 -17.787 -2.034 1.00 0.00 H new ATOM 0 HB2 MET A 427 2.756 -20.160 -1.260 1.00 0.00 H new ATOM 0 HB3 MET A 427 1.853 -20.724 -2.652 1.00 0.00 H new ATOM 0 HG2 MET A 427 3.607 -19.087 -3.915 1.00 0.00 H new ATOM 0 HG3 MET A 427 4.575 -19.493 -2.512 1.00 0.00 H new ATOM 0 HE1 MET A 427 3.209 -22.271 -5.915 1.00 0.00 H new ATOM 0 HE2 MET A 427 2.035 -22.011 -4.602 1.00 0.00 H new ATOM 0 HE3 MET A 427 2.639 -20.627 -5.543 1.00 0.00 H new ATOM 890 N LYS A 428 0.203 -19.110 -4.194 1.00 0.00 N ATOM 891 CA LYS A 428 -0.407 -18.940 -5.507 1.00 0.00 C ATOM 892 C LYS A 428 -0.913 -17.514 -5.743 1.00 0.00 C ATOM 893 O LYS A 428 -0.798 -17.030 -6.864 1.00 0.00 O ATOM 894 CB LYS A 428 -1.511 -19.979 -5.768 1.00 0.00 C ATOM 895 CG LYS A 428 -0.937 -21.392 -5.947 1.00 0.00 C ATOM 896 CD LYS A 428 -1.851 -22.310 -6.770 1.00 0.00 C ATOM 897 CE LYS A 428 -3.177 -22.679 -6.104 1.00 0.00 C ATOM 898 NZ LYS A 428 -3.857 -23.730 -6.886 1.00 0.00 N ATOM 0 H LYS A 428 -0.150 -19.920 -3.685 1.00 0.00 H new ATOM 0 HA LYS A 428 0.386 -19.115 -6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -2.216 -19.976 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -2.070 -19.698 -6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 428 0.035 -21.324 -6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -0.771 -21.838 -4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -2.064 -21.824 -7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -1.309 -23.228 -6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -2.998 -23.028 -5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -3.815 -21.798 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -4.580 -24.189 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -4.310 -23.304 -7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -3.161 -24.439 -7.194 1.00 0.00 H new ATOM 912 N LYS A 429 -1.451 -16.832 -4.721 1.00 0.00 N ATOM 913 CA LYS A 429 -1.928 -15.459 -4.881 1.00 0.00 C ATOM 914 C LYS A 429 -0.853 -14.549 -5.486 1.00 0.00 C ATOM 915 O LYS A 429 -1.139 -13.765 -6.389 1.00 0.00 O ATOM 916 CB LYS A 429 -2.331 -14.841 -3.535 1.00 0.00 C ATOM 917 CG LYS A 429 -3.483 -15.540 -2.802 1.00 0.00 C ATOM 918 CD LYS A 429 -4.088 -14.639 -1.709 1.00 0.00 C ATOM 919 CE LYS A 429 -3.353 -14.622 -0.357 1.00 0.00 C ATOM 920 NZ LYS A 429 -1.908 -14.339 -0.457 1.00 0.00 N ATOM 0 H LYS A 429 -1.564 -17.211 -3.781 1.00 0.00 H new ATOM 0 HA LYS A 429 -2.789 -15.524 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -1.458 -14.837 -2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -2.609 -13.800 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -4.258 -15.815 -3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -3.121 -16.465 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -4.128 -13.618 -2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -5.117 -14.955 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -3.815 -13.872 0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -3.490 -15.587 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -1.543 -14.061 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -1.409 -15.191 -0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -1.752 -13.565 -1.134 1.00 0.00 H new