USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=16 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 402 ASN : amide:sc= 0.486 K(o=1.4,f=-4.4) USER MOD Set 1.2: A 405 LYS NZ :NH3+ -174:sc= 0.882 (180deg=0) USER MOD Set 2.1: A 398 TYR OH : rot 162:sc= 0.159 USER MOD Set 2.2: A 410 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 393 SER OG : rot -146:sc= 0.607 USER MOD Set 3.2: A 397 LYS NZ :NH3+ 170:sc= 0.557 (180deg=-0.0299) USER MOD Set 4.1: A 381 GLN : amide:sc= 0.752 K(o=1.6,f=0.12) USER MOD Set 4.2: A 413 ASN : amide:sc= 0.863 K(o=1.6,f=0.12) USER MOD Single : A 389 LYS NZ :NH3+ -141:sc= -0.376 (180deg=-1.34) USER MOD Single : A 390 ASN : amide:sc= -0.826 K(o=-0.83,f=-1.8!) USER MOD Single : A 404 SER OG : rot 180:sc= -0.0505 USER MOD Single : A 409 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.056) USER MOD Single : A 411 LYS NZ :NH3+ 174:sc= 0.563 (180deg=0.523) USER MOD Single : A 414 ASN : amide:sc= -0.0289 K(o=-0.029,f=-1.1) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 419 MET CE :methyl -139:sc= -0.0233 (180deg=-0.529) USER MOD Single : A 421 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0252) USER MOD Single : A 426 THR OG1 : rot 81:sc= 0.228 USER MOD Single : A 427 MET CE :methyl -164:sc= -1.22 (180deg=-1.6) USER MOD Single : A 428 LYS NZ :NH3+ -133:sc= 1.24 (180deg=0.0653) USER MOD Single : A 429 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0496) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 6.409 -20.148 14.081 1.00 0.00 N ATOM 72 CA GLN A 381 7.343 -20.514 13.030 1.00 0.00 C ATOM 73 C GLN A 381 6.893 -19.940 11.684 1.00 0.00 C ATOM 74 O GLN A 381 5.772 -20.186 11.250 1.00 0.00 O ATOM 75 CB GLN A 381 7.491 -22.048 12.974 1.00 0.00 C ATOM 76 CG GLN A 381 6.221 -22.755 12.476 1.00 0.00 C ATOM 77 CD GLN A 381 6.248 -24.269 12.661 1.00 0.00 C ATOM 78 OE1 GLN A 381 7.218 -24.928 12.297 1.00 0.00 O ATOM 79 NE2 GLN A 381 5.168 -24.833 13.198 1.00 0.00 N ATOM 0 HA GLN A 381 8.320 -20.086 13.253 1.00 0.00 H new ATOM 0 HB2 GLN A 381 8.323 -22.304 12.318 1.00 0.00 H new ATOM 0 HB3 GLN A 381 7.742 -22.420 13.967 1.00 0.00 H new ATOM 0 HG2 GLN A 381 5.359 -22.349 13.005 1.00 0.00 H new ATOM 0 HG3 GLN A 381 6.082 -22.530 11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 381 4.381 -24.253 13.489 1.00 0.00 H new ATOM 0 HE22 GLN A 381 5.128 -25.845 13.319 1.00 0.00 H new ATOM 88 N ALA A 382 7.775 -19.193 11.014 1.00 0.00 N ATOM 89 CA ALA A 382 7.522 -18.644 9.688 1.00 0.00 C ATOM 90 C ALA A 382 8.056 -19.697 8.719 1.00 0.00 C ATOM 91 O ALA A 382 9.166 -20.181 8.937 1.00 0.00 O ATOM 92 CB ALA A 382 8.253 -17.310 9.525 1.00 0.00 C ATOM 0 H ALA A 382 8.694 -18.952 11.385 1.00 0.00 H new ATOM 0 HA ALA A 382 6.466 -18.439 9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 382 8.058 -16.907 8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 382 7.898 -16.606 10.278 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.325 -17.465 9.650 1.00 0.00 H new ATOM 98 N TRP A 383 7.308 -20.081 7.675 1.00 0.00 N ATOM 99 CA TRP A 383 7.817 -21.105 6.771 1.00 0.00 C ATOM 100 C TRP A 383 9.074 -20.614 6.044 1.00 0.00 C ATOM 101 O TRP A 383 9.152 -19.450 5.648 1.00 0.00 O ATOM 102 CB TRP A 383 6.786 -21.523 5.725 1.00 0.00 C ATOM 103 CG TRP A 383 5.627 -22.385 6.129 1.00 0.00 C ATOM 104 CD1 TRP A 383 4.747 -22.173 7.130 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.209 -23.631 5.505 1.00 0.00 C ATOM 106 NE1 TRP A 383 3.816 -23.194 7.171 1.00 0.00 N ATOM 107 CE2 TRP A 383 4.059 -24.129 6.185 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.691 -24.389 4.420 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.427 -25.326 5.805 1.00 0.00 C ATOM 110 CZ3 TRP A 383 5.068 -25.586 4.037 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.940 -26.058 4.724 1.00 0.00 C ATOM 0 H TRP A 383 6.385 -19.712 7.446 1.00 0.00 H new ATOM 0 HA TRP A 383 8.053 -21.969 7.393 1.00 0.00 H new ATOM 0 HB2 TRP A 383 6.378 -20.612 5.288 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.320 -22.046 4.932 1.00 0.00 H new ATOM 0 HD1 TRP A 383 4.767 -21.328 7.802 1.00 0.00 H new ATOM 0 HE1 TRP A 383 3.050 -23.249 7.842 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.556 -24.042 3.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.557 -25.678 6.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.461 -26.150 3.204 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.468 -26.981 4.422 1.00 0.00 H new ATOM 122 N LEU A 384 10.043 -21.516 5.863 1.00 0.00 N ATOM 123 CA LEU A 384 11.299 -21.255 5.167 1.00 0.00 C ATOM 124 C LEU A 384 11.279 -21.983 3.822 1.00 0.00 C ATOM 125 O LEU A 384 10.426 -22.842 3.599 1.00 0.00 O ATOM 126 CB LEU A 384 12.492 -21.740 6.009 1.00 0.00 C ATOM 127 CG LEU A 384 12.623 -21.014 7.361 1.00 0.00 C ATOM 128 CD1 LEU A 384 11.962 -21.809 8.494 1.00 0.00 C ATOM 129 CD2 LEU A 384 14.103 -20.816 7.707 1.00 0.00 C ATOM 0 H LEU A 384 9.970 -22.473 6.207 1.00 0.00 H new ATOM 0 HA LEU A 384 11.408 -20.182 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.389 -22.810 6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 384 13.410 -21.599 5.439 1.00 0.00 H new ATOM 0 HG LEU A 384 12.120 -20.052 7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 384 12.074 -21.266 9.433 1.00 0.00 H new ATOM 0 HD12 LEU A 384 10.902 -21.941 8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 384 12.439 -22.785 8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 384 14.187 -20.302 8.664 1.00 0.00 H new ATOM 0 HD22 LEU A 384 14.595 -21.787 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 384 14.581 -20.218 6.931 1.00 0.00 H new ATOM 141 N TRP A 385 12.225 -21.669 2.920 1.00 0.00 N ATOM 142 CA TRP A 385 12.297 -22.341 1.623 1.00 0.00 C ATOM 143 C TRP A 385 12.505 -23.832 1.768 1.00 0.00 C ATOM 144 O TRP A 385 12.251 -24.551 0.817 1.00 0.00 O ATOM 145 CB TRP A 385 13.395 -21.806 0.709 1.00 0.00 C ATOM 146 CG TRP A 385 14.714 -21.549 1.353 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.132 -20.303 1.592 1.00 0.00 C ATOM 148 CD2 TRP A 385 15.773 -22.429 1.842 1.00 0.00 C ATOM 149 NE1 TRP A 385 16.371 -20.311 2.194 1.00 0.00 N ATOM 150 CE2 TRP A 385 16.816 -21.607 2.374 1.00 0.00 C ATOM 151 CE3 TRP A 385 15.976 -23.826 1.899 1.00 0.00 C ATOM 152 CZ2 TRP A 385 17.987 -22.144 2.929 1.00 0.00 C ATOM 153 CZ3 TRP A 385 17.146 -24.374 2.456 1.00 0.00 C ATOM 154 CH2 TRP A 385 18.151 -23.537 2.969 1.00 0.00 C ATOM 0 H TRP A 385 12.942 -20.959 3.069 1.00 0.00 H new ATOM 0 HA TRP A 385 11.331 -22.131 1.164 1.00 0.00 H new ATOM 0 HB2 TRP A 385 13.542 -22.517 -0.104 1.00 0.00 H new ATOM 0 HB3 TRP A 385 13.045 -20.877 0.260 1.00 0.00 H new ATOM 0 HD1 TRP A 385 14.575 -19.411 1.347 1.00 0.00 H new ATOM 0 HE1 TRP A 385 16.888 -19.476 2.469 1.00 0.00 H new ATOM 0 HE3 TRP A 385 15.217 -24.487 1.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 18.754 -21.492 3.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 17.272 -25.446 2.489 1.00 0.00 H new ATOM 0 HH2 TRP A 385 19.047 -23.965 3.393 1.00 0.00 H new ATOM 165 N GLU A 386 12.962 -24.337 2.910 1.00 0.00 N ATOM 166 CA GLU A 386 13.094 -25.780 3.005 1.00 0.00 C ATOM 167 C GLU A 386 11.690 -26.367 2.845 1.00 0.00 C ATOM 168 O GLU A 386 11.451 -27.184 1.960 1.00 0.00 O ATOM 169 CB GLU A 386 13.796 -26.172 4.309 1.00 0.00 C ATOM 170 CG GLU A 386 14.104 -27.671 4.336 1.00 0.00 C ATOM 171 CD GLU A 386 14.962 -28.027 5.543 1.00 0.00 C ATOM 172 OE1 GLU A 386 16.200 -27.935 5.400 1.00 0.00 O ATOM 173 OE2 GLU A 386 14.364 -28.371 6.584 1.00 0.00 O ATOM 0 H GLU A 386 13.232 -23.803 3.736 1.00 0.00 H new ATOM 0 HA GLU A 386 13.729 -26.189 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 386 14.721 -25.605 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 386 13.165 -25.911 5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 386 13.173 -28.237 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 386 14.621 -27.957 3.420 1.00 0.00 H new ATOM 180 N GLU A 387 10.762 -25.899 3.679 1.00 0.00 N ATOM 181 CA GLU A 387 9.373 -26.303 3.667 1.00 0.00 C ATOM 182 C GLU A 387 8.680 -25.859 2.370 1.00 0.00 C ATOM 183 O GLU A 387 8.103 -26.687 1.676 1.00 0.00 O ATOM 184 CB GLU A 387 8.680 -25.693 4.886 1.00 0.00 C ATOM 185 CG GLU A 387 9.332 -26.046 6.228 1.00 0.00 C ATOM 186 CD GLU A 387 8.887 -25.032 7.268 1.00 0.00 C ATOM 187 OE1 GLU A 387 9.519 -23.954 7.299 1.00 0.00 O ATOM 188 OE2 GLU A 387 7.898 -25.329 7.974 1.00 0.00 O ATOM 0 H GLU A 387 10.971 -25.208 4.400 1.00 0.00 H new ATOM 0 HA GLU A 387 9.310 -27.390 3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 387 8.667 -24.609 4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.642 -26.024 4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.045 -27.052 6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.418 -26.039 6.134 1.00 0.00 H new ATOM 195 N ASP A 388 8.719 -24.561 2.041 1.00 0.00 N ATOM 196 CA ASP A 388 8.069 -24.004 0.854 1.00 0.00 C ATOM 197 C ASP A 388 8.611 -24.561 -0.462 1.00 0.00 C ATOM 198 O ASP A 388 7.831 -24.888 -1.355 1.00 0.00 O ATOM 199 CB ASP A 388 8.168 -22.472 0.834 1.00 0.00 C ATOM 200 CG ASP A 388 6.969 -21.810 1.496 1.00 0.00 C ATOM 201 OD1 ASP A 388 5.891 -21.804 0.856 1.00 0.00 O ATOM 202 OD2 ASP A 388 7.152 -21.285 2.612 1.00 0.00 O ATOM 0 H ASP A 388 9.209 -23.863 2.600 1.00 0.00 H new ATOM 0 HA ASP A 388 7.025 -24.310 0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.080 -22.162 1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 388 8.247 -22.128 -0.197 1.00 0.00 H new ATOM 207 N LYS A 389 9.935 -24.660 -0.614 1.00 0.00 N ATOM 208 CA LYS A 389 10.523 -25.167 -1.846 1.00 0.00 C ATOM 209 C LYS A 389 10.173 -26.657 -1.961 1.00 0.00 C ATOM 210 O LYS A 389 9.802 -27.122 -3.040 1.00 0.00 O ATOM 211 CB LYS A 389 12.029 -24.843 -1.910 1.00 0.00 C ATOM 212 CG LYS A 389 12.585 -24.996 -3.328 1.00 0.00 C ATOM 213 CD LYS A 389 14.047 -24.534 -3.441 1.00 0.00 C ATOM 214 CE LYS A 389 15.022 -25.303 -2.533 1.00 0.00 C ATOM 215 NZ LYS A 389 15.090 -24.750 -1.165 1.00 0.00 N ATOM 0 H LYS A 389 10.613 -24.396 0.101 1.00 0.00 H new ATOM 0 HA LYS A 389 10.108 -24.671 -2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.196 -23.824 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.572 -25.504 -1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 389 12.513 -26.040 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 389 11.971 -24.419 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 389 14.371 -24.640 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.101 -23.473 -3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 389 14.716 -26.348 -2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 389 16.017 -25.283 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 16.073 -24.779 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 14.755 -23.766 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 14.490 -25.316 -0.532 1.00 0.00 H new ATOM 229 N ASN A 390 10.249 -27.398 -0.843 1.00 0.00 N ATOM 230 CA ASN A 390 9.876 -28.809 -0.807 1.00 0.00 C ATOM 231 C ASN A 390 8.399 -28.969 -1.187 1.00 0.00 C ATOM 232 O ASN A 390 8.053 -29.862 -1.957 1.00 0.00 O ATOM 233 CB ASN A 390 10.146 -29.375 0.590 1.00 0.00 C ATOM 234 CG ASN A 390 9.693 -30.820 0.725 1.00 0.00 C ATOM 235 OD1 ASN A 390 10.094 -31.667 -0.066 1.00 0.00 O ATOM 236 ND2 ASN A 390 8.868 -31.103 1.733 1.00 0.00 N ATOM 0 H ASN A 390 10.570 -27.032 0.053 1.00 0.00 H new ATOM 0 HA ASN A 390 10.475 -29.364 -1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 390 11.212 -29.309 0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.632 -28.765 1.332 1.00 0.00 H new ATOM 0 HD21 ASN A 390 8.542 -32.060 1.872 1.00 0.00 H new ATOM 0 HD22 ASN A 390 8.562 -30.363 2.365 1.00 0.00 H new ATOM 243 N LEU A 391 7.534 -28.095 -0.661 1.00 0.00 N ATOM 244 CA LEU A 391 6.105 -28.088 -0.935 1.00 0.00 C ATOM 245 C LEU A 391 5.875 -27.859 -2.427 1.00 0.00 C ATOM 246 O LEU A 391 5.125 -28.608 -3.044 1.00 0.00 O ATOM 247 CB LEU A 391 5.408 -27.021 -0.078 1.00 0.00 C ATOM 248 CG LEU A 391 3.900 -26.886 -0.336 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.155 -28.202 -0.104 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.324 -25.805 0.586 1.00 0.00 C ATOM 0 H LEU A 391 7.822 -27.357 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 391 5.671 -29.052 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.564 -27.258 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 391 5.883 -26.057 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 391 3.765 -26.610 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.092 -28.058 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.547 -28.965 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.295 -28.522 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.254 -25.706 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.493 -26.086 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 391 3.816 -24.854 0.383 1.00 0.00 H new ATOM 262 N ARG A 392 6.526 -26.845 -3.012 1.00 0.00 N ATOM 263 CA ARG A 392 6.411 -26.540 -4.434 1.00 0.00 C ATOM 264 C ARG A 392 6.766 -27.780 -5.258 1.00 0.00 C ATOM 265 O ARG A 392 6.044 -28.136 -6.192 1.00 0.00 O ATOM 266 CB ARG A 392 7.271 -25.318 -4.777 1.00 0.00 C ATOM 267 CG ARG A 392 7.092 -24.901 -6.242 1.00 0.00 C ATOM 268 CD ARG A 392 7.506 -23.438 -6.438 1.00 0.00 C ATOM 269 NE ARG A 392 7.204 -22.980 -7.803 1.00 0.00 N ATOM 270 CZ ARG A 392 7.253 -21.700 -8.212 1.00 0.00 C ATOM 271 NH1 ARG A 392 7.656 -20.734 -7.375 1.00 0.00 N ATOM 272 NH2 ARG A 392 6.891 -21.386 -9.463 1.00 0.00 N ATOM 0 H ARG A 392 7.148 -26.214 -2.506 1.00 0.00 H new ATOM 0 HA ARG A 392 5.383 -26.278 -4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 392 7.002 -24.487 -4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.320 -25.545 -4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 392 7.692 -25.544 -6.885 1.00 0.00 H new ATOM 0 HG3 ARG A 392 6.052 -25.034 -6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 392 6.984 -22.809 -5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 392 8.573 -23.329 -6.242 1.00 0.00 H new ATOM 0 HE ARG A 392 6.938 -23.685 -8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 392 7.928 -20.967 -6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 392 7.690 -19.765 -7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 392 6.579 -22.117 -10.102 1.00 0.00 H new ATOM 0 HH22 ARG A 392 6.927 -20.416 -9.776 1.00 0.00 H new ATOM 286 N SER A 393 7.860 -28.461 -4.888 1.00 0.00 N ATOM 287 CA SER A 393 8.245 -29.700 -5.545 1.00 0.00 C ATOM 288 C SER A 393 7.084 -30.688 -5.409 1.00 0.00 C ATOM 289 O SER A 393 6.643 -31.235 -6.411 1.00 0.00 O ATOM 290 CB SER A 393 9.545 -30.267 -4.954 1.00 0.00 C ATOM 291 OG SER A 393 10.653 -29.805 -5.700 1.00 0.00 O ATOM 0 H SER A 393 8.487 -28.169 -4.138 1.00 0.00 H new ATOM 0 HA SER A 393 8.447 -29.515 -6.600 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.644 -29.963 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.516 -31.357 -4.966 1.00 0.00 H new ATOM 0 HG SER A 393 11.344 -30.499 -5.723 1.00 0.00 H new ATOM 297 N GLY A 394 6.582 -30.898 -4.189 1.00 0.00 N ATOM 298 CA GLY A 394 5.464 -31.789 -3.905 1.00 0.00 C ATOM 299 C GLY A 394 4.279 -31.537 -4.839 1.00 0.00 C ATOM 300 O GLY A 394 3.755 -32.474 -5.435 1.00 0.00 O ATOM 0 H GLY A 394 6.953 -30.441 -3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 394 5.791 -32.824 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.146 -31.654 -2.871 1.00 0.00 H new ATOM 304 N VAL A 395 3.874 -30.271 -4.974 1.00 0.00 N ATOM 305 CA VAL A 395 2.778 -29.842 -5.830 1.00 0.00 C ATOM 306 C VAL A 395 3.026 -30.274 -7.278 1.00 0.00 C ATOM 307 O VAL A 395 2.124 -30.791 -7.932 1.00 0.00 O ATOM 308 CB VAL A 395 2.593 -28.316 -5.706 1.00 0.00 C ATOM 309 CG1 VAL A 395 1.688 -27.755 -6.813 1.00 0.00 C ATOM 310 CG2 VAL A 395 2.023 -27.951 -4.326 1.00 0.00 C ATOM 0 H VAL A 395 4.316 -29.499 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 395 1.854 -30.322 -5.508 1.00 0.00 H new ATOM 0 HB VAL A 395 3.578 -27.863 -5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 395 1.585 -26.677 -6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 395 2.130 -27.966 -7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.705 -28.223 -6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.900 -26.870 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 395 1.056 -28.436 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.709 -28.288 -3.548 1.00 0.00 H new ATOM 320 N ARG A 396 4.242 -30.057 -7.791 1.00 0.00 N ATOM 321 CA ARG A 396 4.572 -30.411 -9.168 1.00 0.00 C ATOM 322 C ARG A 396 4.725 -31.921 -9.402 1.00 0.00 C ATOM 323 O ARG A 396 4.302 -32.416 -10.443 1.00 0.00 O ATOM 324 CB ARG A 396 5.814 -29.626 -9.611 1.00 0.00 C ATOM 325 CG ARG A 396 6.231 -29.975 -11.050 1.00 0.00 C ATOM 326 CD ARG A 396 6.819 -28.766 -11.783 1.00 0.00 C ATOM 327 NE ARG A 396 5.751 -27.817 -12.118 1.00 0.00 N ATOM 328 CZ ARG A 396 5.877 -26.701 -12.850 1.00 0.00 C ATOM 329 NH1 ARG A 396 7.075 -26.323 -13.315 1.00 0.00 N ATOM 330 NH2 ARG A 396 4.788 -25.970 -13.113 1.00 0.00 N ATOM 0 H ARG A 396 5.012 -29.637 -7.270 1.00 0.00 H new ATOM 0 HA ARG A 396 3.724 -30.126 -9.792 1.00 0.00 H new ATOM 0 HB2 ARG A 396 5.612 -28.557 -9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 396 6.640 -29.840 -8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 396 6.966 -30.780 -11.030 1.00 0.00 H new ATOM 0 HG3 ARG A 396 5.366 -30.347 -11.599 1.00 0.00 H new ATOM 0 HD2 ARG A 396 7.567 -28.279 -11.157 1.00 0.00 H new ATOM 0 HD3 ARG A 396 7.326 -29.092 -12.691 1.00 0.00 H new ATOM 0 HE ARG A 396 4.820 -28.027 -11.758 1.00 0.00 H new ATOM 0 HH11 ARG A 396 7.901 -26.886 -13.113 1.00 0.00 H new ATOM 0 HH12 ARG A 396 7.161 -25.472 -13.871 1.00 0.00 H new ATOM 0 HH21 ARG A 396 3.878 -26.264 -12.758 1.00 0.00 H new ATOM 0 HH22 ARG A 396 4.867 -25.118 -13.669 1.00 0.00 H new ATOM 344 N LYS A 397 5.343 -32.651 -8.468 1.00 0.00 N ATOM 345 CA LYS A 397 5.590 -34.082 -8.605 1.00 0.00 C ATOM 346 C LYS A 397 4.375 -34.957 -8.279 1.00 0.00 C ATOM 347 O LYS A 397 4.263 -36.038 -8.854 1.00 0.00 O ATOM 348 CB LYS A 397 6.780 -34.515 -7.726 1.00 0.00 C ATOM 349 CG LYS A 397 8.170 -34.182 -8.299 1.00 0.00 C ATOM 350 CD LYS A 397 8.619 -32.745 -8.015 1.00 0.00 C ATOM 351 CE LYS A 397 10.045 -32.489 -8.511 1.00 0.00 C ATOM 352 NZ LYS A 397 10.454 -31.091 -8.272 1.00 0.00 N ATOM 0 H LYS A 397 5.687 -32.259 -7.591 1.00 0.00 H new ATOM 0 HA LYS A 397 5.819 -34.237 -9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 397 6.683 -34.039 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 397 6.719 -35.591 -7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 397 8.902 -34.873 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 397 8.159 -34.345 -9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 397 7.935 -32.048 -8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 397 8.566 -32.552 -6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 397 10.735 -33.164 -8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 397 10.107 -32.711 -9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 11.472 -30.990 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 9.921 -30.460 -8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 10.258 -30.836 -7.283 1.00 0.00 H new ATOM 366 N TYR A 398 3.503 -34.537 -7.351 1.00 0.00 N ATOM 367 CA TYR A 398 2.359 -35.336 -6.910 1.00 0.00 C ATOM 368 C TYR A 398 1.014 -34.602 -6.943 1.00 0.00 C ATOM 369 O TYR A 398 0.056 -35.086 -6.341 1.00 0.00 O ATOM 370 CB TYR A 398 2.648 -35.852 -5.491 1.00 0.00 C ATOM 371 CG TYR A 398 4.054 -36.374 -5.272 1.00 0.00 C ATOM 372 CD1 TYR A 398 4.522 -37.482 -6.002 1.00 0.00 C ATOM 373 CD2 TYR A 398 4.898 -35.750 -4.335 1.00 0.00 C ATOM 374 CE1 TYR A 398 5.829 -37.961 -5.800 1.00 0.00 C ATOM 375 CE2 TYR A 398 6.201 -36.229 -4.133 1.00 0.00 C ATOM 376 CZ TYR A 398 6.668 -37.333 -4.864 1.00 0.00 C ATOM 377 OH TYR A 398 7.937 -37.793 -4.660 1.00 0.00 O ATOM 0 H TYR A 398 3.575 -33.632 -6.887 1.00 0.00 H new ATOM 0 HA TYR A 398 2.250 -36.154 -7.622 1.00 0.00 H new ATOM 0 HB2 TYR A 398 2.462 -35.045 -4.782 1.00 0.00 H new ATOM 0 HB3 TYR A 398 1.941 -36.649 -5.259 1.00 0.00 H new ATOM 0 HD1 TYR A 398 3.876 -37.966 -6.719 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.542 -34.901 -3.770 1.00 0.00 H new ATOM 0 HE1 TYR A 398 6.187 -38.810 -6.363 1.00 0.00 H new ATOM 0 HE2 TYR A 398 6.846 -35.747 -3.413 1.00 0.00 H new ATOM 0 HH TYR A 398 8.468 -37.101 -4.213 1.00 0.00 H new ATOM 387 N GLY A 399 0.928 -33.458 -7.629 1.00 0.00 N ATOM 388 CA GLY A 399 -0.305 -32.695 -7.741 1.00 0.00 C ATOM 389 C GLY A 399 -0.529 -31.775 -6.540 1.00 0.00 C ATOM 390 O GLY A 399 -0.108 -32.076 -5.426 1.00 0.00 O ATOM 0 H GLY A 399 1.717 -33.040 -8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.279 -32.099 -8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.147 -33.381 -7.833 1.00 0.00 H new ATOM 394 N GLU A 400 -1.198 -30.644 -6.785 1.00 0.00 N ATOM 395 CA GLU A 400 -1.509 -29.610 -5.808 1.00 0.00 C ATOM 396 C GLU A 400 -2.337 -30.155 -4.642 1.00 0.00 C ATOM 397 O GLU A 400 -1.802 -30.361 -3.553 1.00 0.00 O ATOM 398 CB GLU A 400 -2.164 -28.426 -6.540 1.00 0.00 C ATOM 399 CG GLU A 400 -2.307 -27.187 -5.657 1.00 0.00 C ATOM 400 CD GLU A 400 -2.910 -26.030 -6.443 1.00 0.00 C ATOM 401 OE1 GLU A 400 -4.153 -25.996 -6.555 1.00 0.00 O ATOM 402 OE2 GLU A 400 -2.141 -25.165 -6.917 1.00 0.00 O ATOM 0 H GLU A 400 -1.551 -30.419 -7.715 1.00 0.00 H new ATOM 0 HA GLU A 400 -0.593 -29.249 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -1.569 -28.174 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.149 -28.726 -6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -2.938 -27.417 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -1.331 -26.898 -5.267 1.00 0.00 H new ATOM 409 N GLY A 401 -3.633 -30.389 -4.867 1.00 0.00 N ATOM 410 CA GLY A 401 -4.581 -30.901 -3.885 1.00 0.00 C ATOM 411 C GLY A 401 -4.369 -32.382 -3.566 1.00 0.00 C ATOM 412 O GLY A 401 -5.281 -33.190 -3.732 1.00 0.00 O ATOM 0 H GLY A 401 -4.063 -30.219 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -4.493 -30.321 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -5.595 -30.757 -4.257 1.00 0.00 H new ATOM 416 N ASN A 402 -3.165 -32.736 -3.104 1.00 0.00 N ATOM 417 CA ASN A 402 -2.752 -34.087 -2.740 1.00 0.00 C ATOM 418 C ASN A 402 -1.738 -33.972 -1.601 1.00 0.00 C ATOM 419 O ASN A 402 -0.652 -34.551 -1.644 1.00 0.00 O ATOM 420 CB ASN A 402 -2.118 -34.781 -3.951 1.00 0.00 C ATOM 421 CG ASN A 402 -3.085 -34.986 -5.112 1.00 0.00 C ATOM 422 OD1 ASN A 402 -3.733 -36.028 -5.192 1.00 0.00 O ATOM 423 ND2 ASN A 402 -3.150 -34.025 -6.031 1.00 0.00 N ATOM 0 H ASN A 402 -2.420 -32.053 -2.969 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.609 -34.680 -2.422 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -1.270 -34.189 -4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -1.726 -35.749 -3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -3.756 -34.137 -6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -2.594 -33.177 -5.922 1.00 0.00 H new ATOM 430 N TRP A 403 -2.096 -33.194 -0.578 1.00 0.00 N ATOM 431 CA TRP A 403 -1.248 -32.920 0.574 1.00 0.00 C ATOM 432 C TRP A 403 -0.887 -34.202 1.322 1.00 0.00 C ATOM 433 O TRP A 403 0.197 -34.285 1.893 1.00 0.00 O ATOM 434 CB TRP A 403 -1.842 -31.797 1.441 1.00 0.00 C ATOM 435 CG TRP A 403 -2.636 -30.820 0.628 1.00 0.00 C ATOM 436 CD1 TRP A 403 -3.984 -30.799 0.530 1.00 0.00 C ATOM 437 CD2 TRP A 403 -2.154 -29.750 -0.236 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.373 -29.801 -0.333 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.283 -29.120 -0.834 1.00 0.00 C ATOM 440 CE3 TRP A 403 -0.880 -29.250 -0.586 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -3.157 -28.052 -1.732 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.742 -28.174 -1.483 1.00 0.00 C ATOM 443 CH2 TRP A 403 -1.879 -27.579 -2.056 1.00 0.00 C ATOM 0 H TRP A 403 -3.003 -32.729 -0.530 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.290 -32.531 0.230 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.480 -32.232 2.210 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.037 -31.271 1.955 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.655 -31.466 1.051 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.342 -29.592 -0.572 1.00 0.00 H new ATOM 0 HE3 TRP A 403 0.003 -29.701 -0.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -4.035 -27.599 -2.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.242 -27.804 -1.732 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.767 -26.756 -2.747 1.00 0.00 H new ATOM 454 N SER A 404 -1.763 -35.216 1.291 1.00 0.00 N ATOM 455 CA SER A 404 -1.507 -36.507 1.911 1.00 0.00 C ATOM 456 C SER A 404 -0.280 -37.130 1.246 1.00 0.00 C ATOM 457 O SER A 404 0.696 -37.464 1.918 1.00 0.00 O ATOM 458 CB SER A 404 -2.730 -37.419 1.765 1.00 0.00 C ATOM 459 OG SER A 404 -3.148 -37.502 0.415 1.00 0.00 O ATOM 0 H SER A 404 -2.671 -35.155 0.831 1.00 0.00 H new ATOM 0 HA SER A 404 -1.316 -36.379 2.976 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.490 -38.415 2.136 1.00 0.00 H new ATOM 0 HB3 SER A 404 -3.546 -37.038 2.379 1.00 0.00 H new ATOM 0 HG SER A 404 -3.928 -38.091 0.350 1.00 0.00 H new ATOM 465 N LYS A 405 -0.327 -37.266 -0.086 1.00 0.00 N ATOM 466 CA LYS A 405 0.768 -37.815 -0.867 1.00 0.00 C ATOM 467 C LYS A 405 2.042 -37.023 -0.576 1.00 0.00 C ATOM 468 O LYS A 405 3.071 -37.617 -0.271 1.00 0.00 O ATOM 469 CB LYS A 405 0.453 -37.798 -2.369 1.00 0.00 C ATOM 470 CG LYS A 405 -0.813 -38.591 -2.739 1.00 0.00 C ATOM 471 CD LYS A 405 -0.735 -39.149 -4.171 1.00 0.00 C ATOM 472 CE LYS A 405 -0.538 -38.073 -5.252 1.00 0.00 C ATOM 473 NZ LYS A 405 -1.765 -37.765 -6.004 1.00 0.00 N ATOM 0 H LYS A 405 -1.134 -36.994 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 405 0.912 -38.856 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.334 -36.765 -2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 405 1.302 -38.209 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -0.947 -39.412 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -1.687 -37.946 -2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 405 0.088 -39.861 -4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -1.650 -39.701 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -0.170 -37.161 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 405 0.232 -38.406 -5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -1.541 -37.110 -6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -2.162 -38.643 -6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -2.460 -37.324 -5.369 1.00 0.00 H new ATOM 487 N ILE A 406 1.973 -35.689 -0.656 1.00 0.00 N ATOM 488 CA ILE A 406 3.114 -34.818 -0.394 1.00 0.00 C ATOM 489 C ILE A 406 3.720 -35.118 0.985 1.00 0.00 C ATOM 490 O ILE A 406 4.933 -35.275 1.087 1.00 0.00 O ATOM 491 CB ILE A 406 2.719 -33.341 -0.585 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.380 -33.084 -2.067 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.857 -32.413 -0.132 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.745 -31.713 -2.325 1.00 0.00 C ATOM 0 H ILE A 406 1.121 -35.187 -0.905 1.00 0.00 H new ATOM 0 HA ILE A 406 3.901 -35.021 -1.120 1.00 0.00 H new ATOM 0 HB ILE A 406 1.842 -33.129 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.291 -33.170 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.699 -33.861 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.558 -31.375 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 406 4.071 -32.587 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.750 -32.618 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.534 -31.604 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.816 -31.630 -1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.432 -30.928 -2.009 1.00 0.00 H new ATOM 506 N LEU A 407 2.894 -35.212 2.036 1.00 0.00 N ATOM 507 CA LEU A 407 3.342 -35.510 3.394 1.00 0.00 C ATOM 508 C LEU A 407 3.971 -36.904 3.486 1.00 0.00 C ATOM 509 O LEU A 407 4.921 -37.107 4.242 1.00 0.00 O ATOM 510 CB LEU A 407 2.173 -35.393 4.385 1.00 0.00 C ATOM 511 CG LEU A 407 1.776 -33.936 4.670 1.00 0.00 C ATOM 512 CD1 LEU A 407 0.362 -33.881 5.256 1.00 0.00 C ATOM 513 CD2 LEU A 407 2.746 -33.272 5.656 1.00 0.00 C ATOM 0 H LEU A 407 1.885 -35.081 1.961 1.00 0.00 H new ATOM 0 HA LEU A 407 4.106 -34.778 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 407 1.311 -35.928 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 407 2.446 -35.880 5.321 1.00 0.00 H new ATOM 0 HG LEU A 407 1.813 -33.396 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 407 0.090 -32.844 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -0.343 -34.311 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 407 0.331 -34.448 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 407 2.435 -32.243 5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 407 2.741 -33.821 6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 407 3.752 -33.280 5.237 1.00 0.00 H new ATOM 525 N LEU A 408 3.459 -37.880 2.731 1.00 0.00 N ATOM 526 CA LEU A 408 4.006 -39.229 2.748 1.00 0.00 C ATOM 527 C LEU A 408 5.374 -39.247 2.064 1.00 0.00 C ATOM 528 O LEU A 408 6.340 -39.759 2.630 1.00 0.00 O ATOM 529 CB LEU A 408 3.027 -40.216 2.095 1.00 0.00 C ATOM 530 CG LEU A 408 1.763 -40.448 2.941 1.00 0.00 C ATOM 531 CD1 LEU A 408 0.683 -41.111 2.079 1.00 0.00 C ATOM 532 CD2 LEU A 408 2.044 -41.339 4.159 1.00 0.00 C ATOM 0 H LEU A 408 2.666 -37.756 2.102 1.00 0.00 H new ATOM 0 HA LEU A 408 4.145 -39.547 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 408 2.738 -39.839 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 408 3.531 -41.169 1.934 1.00 0.00 H new ATOM 0 HG LEU A 408 1.425 -39.476 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.212 -41.275 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 408 0.441 -40.463 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 408 1.051 -42.067 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 408 1.125 -41.477 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 408 2.412 -42.309 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 408 2.795 -40.865 4.791 1.00 0.00 H new ATOM 544 N HIS A 409 5.459 -38.689 0.856 1.00 0.00 N ATOM 545 CA HIS A 409 6.682 -38.635 0.073 1.00 0.00 C ATOM 546 C HIS A 409 7.774 -37.799 0.744 1.00 0.00 C ATOM 547 O HIS A 409 8.882 -38.295 0.935 1.00 0.00 O ATOM 548 CB HIS A 409 6.377 -38.089 -1.327 1.00 0.00 C ATOM 549 CG HIS A 409 5.482 -38.978 -2.153 1.00 0.00 C ATOM 550 ND1 HIS A 409 5.794 -40.299 -2.432 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.277 -38.756 -2.775 1.00 0.00 C ATOM 552 CE1 HIS A 409 4.797 -40.797 -3.184 1.00 0.00 C ATOM 553 NE2 HIS A 409 3.837 -39.903 -3.429 1.00 0.00 N ATOM 0 H HIS A 409 4.662 -38.255 0.391 1.00 0.00 H new ATOM 0 HA HIS A 409 7.066 -39.652 -0.003 1.00 0.00 H new ATOM 0 HB2 HIS A 409 5.908 -37.110 -1.229 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.316 -37.941 -1.860 1.00 0.00 H new ATOM 0 HD2 HIS A 409 3.743 -37.817 -2.759 1.00 0.00 H new ATOM 0 HE1 HIS A 409 4.775 -41.813 -3.551 1.00 0.00 H new ATOM 0 HE2 HIS A 409 2.981 -40.030 -3.969 1.00 0.00 H new ATOM 561 N TYR A 410 7.475 -36.537 1.075 1.00 0.00 N ATOM 562 CA TYR A 410 8.428 -35.603 1.668 1.00 0.00 C ATOM 563 C TYR A 410 8.025 -35.184 3.083 1.00 0.00 C ATOM 564 O TYR A 410 6.849 -34.963 3.367 1.00 0.00 O ATOM 565 CB TYR A 410 8.549 -34.352 0.793 1.00 0.00 C ATOM 566 CG TYR A 410 8.844 -34.528 -0.691 1.00 0.00 C ATOM 567 CD1 TYR A 410 9.641 -35.591 -1.162 1.00 0.00 C ATOM 568 CD2 TYR A 410 8.316 -33.599 -1.609 1.00 0.00 C ATOM 569 CE1 TYR A 410 9.902 -35.722 -2.537 1.00 0.00 C ATOM 570 CE2 TYR A 410 8.583 -33.730 -2.983 1.00 0.00 C ATOM 571 CZ TYR A 410 9.374 -34.791 -3.447 1.00 0.00 C ATOM 572 OH TYR A 410 9.623 -34.910 -4.785 1.00 0.00 O ATOM 0 H TYR A 410 6.549 -36.134 0.934 1.00 0.00 H new ATOM 0 HA TYR A 410 9.386 -36.119 1.728 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.617 -33.794 0.882 1.00 0.00 H new ATOM 0 HB3 TYR A 410 9.336 -33.727 1.215 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.052 -36.306 -0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 410 7.703 -32.783 -1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 410 10.510 -36.540 -2.895 1.00 0.00 H new ATOM 0 HE2 TYR A 410 8.179 -33.013 -3.682 1.00 0.00 H new ATOM 0 HH TYR A 410 9.179 -34.181 -5.266 1.00 0.00 H new ATOM 582 N LYS A 411 9.022 -35.065 3.966 1.00 0.00 N ATOM 583 CA LYS A 411 8.869 -34.663 5.360 1.00 0.00 C ATOM 584 C LYS A 411 8.935 -33.139 5.499 1.00 0.00 C ATOM 585 O LYS A 411 9.408 -32.433 4.610 1.00 0.00 O ATOM 586 CB LYS A 411 9.948 -35.356 6.211 1.00 0.00 C ATOM 587 CG LYS A 411 9.501 -36.646 6.921 1.00 0.00 C ATOM 588 CD LYS A 411 8.984 -37.785 6.023 1.00 0.00 C ATOM 589 CE LYS A 411 7.477 -37.669 5.764 1.00 0.00 C ATOM 590 NZ LYS A 411 6.894 -38.869 5.141 1.00 0.00 N ATOM 0 H LYS A 411 9.993 -35.254 3.716 1.00 0.00 H new ATOM 0 HA LYS A 411 7.888 -34.974 5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.798 -35.590 5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.301 -34.651 6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 411 10.343 -37.025 7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 411 8.715 -36.389 7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 411 9.518 -37.769 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 411 9.199 -38.744 6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 411 6.968 -37.476 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 411 7.292 -36.809 5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 5.861 -38.765 5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 7.281 -38.985 4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 7.128 -39.706 5.713 1.00 0.00 H new ATOM 604 N PHE A 412 8.445 -32.662 6.647 1.00 0.00 N ATOM 605 CA PHE A 412 8.383 -31.273 7.073 1.00 0.00 C ATOM 606 C PHE A 412 8.609 -31.270 8.589 1.00 0.00 C ATOM 607 O PHE A 412 8.675 -32.340 9.194 1.00 0.00 O ATOM 608 CB PHE A 412 7.002 -30.679 6.751 1.00 0.00 C ATOM 609 CG PHE A 412 6.636 -30.560 5.282 1.00 0.00 C ATOM 610 CD1 PHE A 412 6.189 -31.683 4.561 1.00 0.00 C ATOM 611 CD2 PHE A 412 6.734 -29.313 4.635 1.00 0.00 C ATOM 612 CE1 PHE A 412 5.845 -31.562 3.203 1.00 0.00 C ATOM 613 CE2 PHE A 412 6.387 -29.194 3.280 1.00 0.00 C ATOM 614 CZ PHE A 412 5.941 -30.315 2.560 1.00 0.00 C ATOM 0 H PHE A 412 8.054 -33.289 7.350 1.00 0.00 H new ATOM 0 HA PHE A 412 9.133 -30.673 6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 412 6.245 -31.292 7.242 1.00 0.00 H new ATOM 0 HB3 PHE A 412 6.946 -29.686 7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 412 6.110 -32.641 5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 412 7.077 -28.447 5.182 1.00 0.00 H new ATOM 0 HE1 PHE A 412 5.507 -32.428 2.653 1.00 0.00 H new ATOM 0 HE2 PHE A 412 6.463 -28.235 2.788 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.673 -30.220 1.518 1.00 0.00 H new ATOM 624 N ASN A 413 8.717 -30.087 9.208 1.00 0.00 N ATOM 625 CA ASN A 413 8.928 -29.963 10.648 1.00 0.00 C ATOM 626 C ASN A 413 7.822 -30.683 11.429 1.00 0.00 C ATOM 627 O ASN A 413 8.078 -31.683 12.095 1.00 0.00 O ATOM 628 CB ASN A 413 9.022 -28.479 11.040 1.00 0.00 C ATOM 629 CG ASN A 413 9.215 -28.299 12.547 1.00 0.00 C ATOM 630 OD1 ASN A 413 9.830 -29.133 13.204 1.00 0.00 O ATOM 631 ND2 ASN A 413 8.687 -27.215 13.112 1.00 0.00 N ATOM 0 H ASN A 413 8.660 -29.192 8.721 1.00 0.00 H new ATOM 0 HA ASN A 413 9.871 -30.444 10.908 1.00 0.00 H new ATOM 0 HB2 ASN A 413 9.854 -28.015 10.509 1.00 0.00 H new ATOM 0 HB3 ASN A 413 8.115 -27.962 10.726 1.00 0.00 H new ATOM 0 HD21 ASN A 413 8.789 -27.062 14.115 1.00 0.00 H new ATOM 0 HD22 ASN A 413 8.181 -26.538 12.542 1.00 0.00 H new ATOM 638 N ASN A 414 6.591 -30.170 11.338 1.00 0.00 N ATOM 639 CA ASN A 414 5.415 -30.723 11.999 1.00 0.00 C ATOM 640 C ASN A 414 4.192 -30.078 11.349 1.00 0.00 C ATOM 641 O ASN A 414 3.559 -29.200 11.934 1.00 0.00 O ATOM 642 CB ASN A 414 5.470 -30.457 13.513 1.00 0.00 C ATOM 643 CG ASN A 414 4.250 -31.016 14.244 1.00 0.00 C ATOM 644 OD1 ASN A 414 3.532 -31.865 13.722 1.00 0.00 O ATOM 645 ND2 ASN A 414 4.011 -30.547 15.469 1.00 0.00 N ATOM 0 H ASN A 414 6.384 -29.337 10.787 1.00 0.00 H new ATOM 0 HA ASN A 414 5.368 -31.806 11.882 1.00 0.00 H new ATOM 0 HB2 ASN A 414 6.374 -30.904 13.926 1.00 0.00 H new ATOM 0 HB3 ASN A 414 5.536 -29.383 13.689 1.00 0.00 H new ATOM 0 HD21 ASN A 414 3.213 -30.893 16.001 1.00 0.00 H new ATOM 0 HD22 ASN A 414 4.627 -29.842 15.874 1.00 0.00 H new ATOM 652 N ARG A 415 3.891 -30.497 10.115 1.00 0.00 N ATOM 653 CA ARG A 415 2.792 -29.975 9.316 1.00 0.00 C ATOM 654 C ARG A 415 1.696 -31.025 9.122 1.00 0.00 C ATOM 655 O ARG A 415 1.902 -32.211 9.370 1.00 0.00 O ATOM 656 CB ARG A 415 3.334 -29.527 7.953 1.00 0.00 C ATOM 657 CG ARG A 415 3.858 -28.086 7.910 1.00 0.00 C ATOM 658 CD ARG A 415 4.995 -27.808 8.892 1.00 0.00 C ATOM 659 NE ARG A 415 5.539 -26.456 8.717 1.00 0.00 N ATOM 660 CZ ARG A 415 5.060 -25.350 9.307 1.00 0.00 C ATOM 661 NH1 ARG A 415 3.882 -25.375 9.946 1.00 0.00 N ATOM 662 NH2 ARG A 415 5.780 -24.227 9.241 1.00 0.00 N ATOM 0 H ARG A 415 4.421 -31.226 9.638 1.00 0.00 H new ATOM 0 HA ARG A 415 2.351 -29.128 9.841 1.00 0.00 H new ATOM 0 HB2 ARG A 415 4.139 -30.200 7.659 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.543 -29.633 7.211 1.00 0.00 H new ATOM 0 HG2 ARG A 415 4.202 -27.866 6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 415 3.034 -27.404 8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 415 4.632 -27.926 9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 415 5.788 -28.542 8.749 1.00 0.00 H new ATOM 0 HE ARG A 415 6.343 -26.349 8.099 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.342 -26.239 9.987 1.00 0.00 H new ATOM 0 HH12 ARG A 415 3.526 -24.530 10.392 1.00 0.00 H new ATOM 0 HH21 ARG A 415 6.674 -24.222 8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 415 5.436 -23.374 9.682 1.00 0.00 H new ATOM 676 N THR A 416 0.532 -30.553 8.662 1.00 0.00 N ATOM 677 CA THR A 416 -0.662 -31.332 8.381 1.00 0.00 C ATOM 678 C THR A 416 -1.223 -30.908 7.022 1.00 0.00 C ATOM 679 O THR A 416 -0.749 -29.942 6.419 1.00 0.00 O ATOM 680 CB THR A 416 -1.718 -31.043 9.462 1.00 0.00 C ATOM 681 OG1 THR A 416 -2.168 -29.705 9.338 1.00 0.00 O ATOM 682 CG2 THR A 416 -1.183 -31.282 10.879 1.00 0.00 C ATOM 0 H THR A 416 0.399 -29.561 8.468 1.00 0.00 H new ATOM 0 HA THR A 416 -0.417 -32.394 8.373 1.00 0.00 H new ATOM 0 HB THR A 416 -2.546 -31.735 9.307 1.00 0.00 H new ATOM 0 HG1 THR A 416 -2.842 -29.521 10.025 1.00 0.00 H new ATOM 0 HG21 THR A 416 -1.966 -31.064 11.605 1.00 0.00 H new ATOM 0 HG22 THR A 416 -0.873 -32.322 10.980 1.00 0.00 H new ATOM 0 HG23 THR A 416 -0.329 -30.630 11.060 1.00 0.00 H new ATOM 690 N SER A 417 -2.265 -31.613 6.565 1.00 0.00 N ATOM 691 CA SER A 417 -2.959 -31.297 5.325 1.00 0.00 C ATOM 692 C SER A 417 -3.465 -29.851 5.402 1.00 0.00 C ATOM 693 O SER A 417 -3.323 -29.091 4.445 1.00 0.00 O ATOM 694 CB SER A 417 -4.116 -32.283 5.131 1.00 0.00 C ATOM 695 OG SER A 417 -4.879 -31.947 3.993 1.00 0.00 O ATOM 0 H SER A 417 -2.648 -32.423 7.053 1.00 0.00 H new ATOM 0 HA SER A 417 -2.289 -31.388 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 417 -3.723 -33.294 5.025 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.754 -32.280 6.015 1.00 0.00 H new ATOM 0 HG SER A 417 -5.611 -32.590 3.888 1.00 0.00 H new ATOM 701 N VAL A 418 -4.033 -29.478 6.560 1.00 0.00 N ATOM 702 CA VAL A 418 -4.538 -28.139 6.825 1.00 0.00 C ATOM 703 C VAL A 418 -3.415 -27.131 6.584 1.00 0.00 C ATOM 704 O VAL A 418 -3.587 -26.229 5.769 1.00 0.00 O ATOM 705 CB VAL A 418 -5.095 -28.027 8.260 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.607 -26.608 8.549 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.252 -29.004 8.497 1.00 0.00 C ATOM 0 H VAL A 418 -4.152 -30.117 7.346 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.365 -27.924 6.148 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.268 -28.270 8.927 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -5.993 -26.561 9.567 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.789 -25.896 8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.403 -26.358 7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.617 -28.895 9.518 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -7.060 -28.788 7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -5.903 -30.025 8.344 1.00 0.00 H new ATOM 717 N MET A 419 -2.279 -27.293 7.281 1.00 0.00 N ATOM 718 CA MET A 419 -1.141 -26.390 7.135 1.00 0.00 C ATOM 719 C MET A 419 -0.724 -26.245 5.671 1.00 0.00 C ATOM 720 O MET A 419 -0.735 -25.139 5.141 1.00 0.00 O ATOM 721 CB MET A 419 0.061 -26.851 7.971 1.00 0.00 C ATOM 722 CG MET A 419 -0.147 -26.908 9.490 1.00 0.00 C ATOM 723 SD MET A 419 -0.410 -25.331 10.341 1.00 0.00 S ATOM 724 CE MET A 419 -2.214 -25.235 10.308 1.00 0.00 C ATOM 0 H MET A 419 -2.130 -28.046 7.952 1.00 0.00 H new ATOM 0 HA MET A 419 -1.467 -25.418 7.504 1.00 0.00 H new ATOM 0 HB2 MET A 419 0.355 -27.843 7.629 1.00 0.00 H new ATOM 0 HB3 MET A 419 0.897 -26.182 7.765 1.00 0.00 H new ATOM 0 HG2 MET A 419 -1.005 -27.549 9.691 1.00 0.00 H new ATOM 0 HG3 MET A 419 0.723 -27.392 9.934 1.00 0.00 H new ATOM 0 HE1 MET A 419 -2.520 -24.213 10.084 1.00 0.00 H new ATOM 0 HE2 MET A 419 -2.600 -25.906 9.541 1.00 0.00 H new ATOM 0 HE3 MET A 419 -2.612 -25.528 11.280 1.00 0.00 H new ATOM 734 N LEU A 420 -0.346 -27.349 5.017 1.00 0.00 N ATOM 735 CA LEU A 420 0.104 -27.324 3.629 1.00 0.00 C ATOM 736 C LEU A 420 -0.884 -26.604 2.717 1.00 0.00 C ATOM 737 O LEU A 420 -0.494 -25.703 1.974 1.00 0.00 O ATOM 738 CB LEU A 420 0.360 -28.744 3.106 1.00 0.00 C ATOM 739 CG LEU A 420 1.812 -29.183 3.322 1.00 0.00 C ATOM 740 CD1 LEU A 420 2.141 -29.377 4.799 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.068 -30.503 2.602 1.00 0.00 C ATOM 0 H LEU A 420 -0.345 -28.279 5.436 1.00 0.00 H new ATOM 0 HA LEU A 420 1.040 -26.766 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.308 -29.442 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.123 -28.787 2.043 1.00 0.00 H new ATOM 0 HG LEU A 420 2.445 -28.390 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 420 3.181 -29.688 4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 420 1.988 -28.439 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.490 -30.143 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.102 -30.809 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 420 1.399 -31.268 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 420 1.886 -30.377 1.535 1.00 0.00 H new ATOM 753 N LYS A 421 -2.157 -27.006 2.765 1.00 0.00 N ATOM 754 CA LYS A 421 -3.158 -26.396 1.917 1.00 0.00 C ATOM 755 C LYS A 421 -3.319 -24.907 2.207 1.00 0.00 C ATOM 756 O LYS A 421 -3.290 -24.120 1.266 1.00 0.00 O ATOM 757 CB LYS A 421 -4.501 -27.112 2.027 1.00 0.00 C ATOM 758 CG LYS A 421 -5.366 -26.681 0.832 1.00 0.00 C ATOM 759 CD LYS A 421 -6.850 -26.715 1.155 1.00 0.00 C ATOM 760 CE LYS A 421 -7.296 -25.503 1.985 1.00 0.00 C ATOM 761 NZ LYS A 421 -7.394 -24.281 1.164 1.00 0.00 N ATOM 0 H LYS A 421 -2.506 -27.743 3.378 1.00 0.00 H new ATOM 0 HA LYS A 421 -2.803 -26.499 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.358 -28.193 2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.993 -26.857 2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -5.085 -25.673 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.165 -27.337 -0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -7.421 -26.746 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -7.079 -27.630 1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -8.263 -25.712 2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -6.588 -25.339 2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -6.824 -23.526 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.040 -24.477 0.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -8.387 -23.977 1.111 1.00 0.00 H new ATOM 775 N ASP A 422 -3.505 -24.497 3.468 1.00 0.00 N ATOM 776 CA ASP A 422 -3.682 -23.082 3.776 1.00 0.00 C ATOM 777 C ASP A 422 -2.445 -22.260 3.386 1.00 0.00 C ATOM 778 O ASP A 422 -2.582 -21.112 2.961 1.00 0.00 O ATOM 779 CB ASP A 422 -4.264 -22.835 5.179 1.00 0.00 C ATOM 780 CG ASP A 422 -3.339 -23.127 6.355 1.00 0.00 C ATOM 781 OD1 ASP A 422 -2.169 -22.700 6.289 1.00 0.00 O ATOM 782 OD2 ASP A 422 -3.853 -23.704 7.341 1.00 0.00 O ATOM 0 H ASP A 422 -3.536 -25.118 4.277 1.00 0.00 H new ATOM 0 HA ASP A 422 -4.470 -22.688 3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -4.577 -21.793 5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -5.161 -23.445 5.290 1.00 0.00 H new ATOM 787 N ARG A 423 -1.246 -22.851 3.470 1.00 0.00 N ATOM 788 CA ARG A 423 -0.014 -22.194 3.056 1.00 0.00 C ATOM 789 C ARG A 423 -0.105 -21.918 1.556 1.00 0.00 C ATOM 790 O ARG A 423 0.050 -20.778 1.112 1.00 0.00 O ATOM 791 CB ARG A 423 1.203 -23.088 3.354 1.00 0.00 C ATOM 792 CG ARG A 423 2.432 -22.308 3.819 1.00 0.00 C ATOM 793 CD ARG A 423 3.021 -21.279 2.854 1.00 0.00 C ATOM 794 NE ARG A 423 4.022 -20.472 3.566 1.00 0.00 N ATOM 795 CZ ARG A 423 4.790 -19.506 3.037 1.00 0.00 C ATOM 796 NH1 ARG A 423 4.956 -19.417 1.714 1.00 0.00 N ATOM 797 NH2 ARG A 423 5.398 -18.626 3.845 1.00 0.00 N ATOM 0 H ARG A 423 -1.110 -23.797 3.827 1.00 0.00 H new ATOM 0 HA ARG A 423 0.112 -21.262 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 423 0.932 -23.814 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.458 -23.652 2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 423 2.173 -21.792 4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 423 3.214 -23.027 4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 423 3.479 -21.781 2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 423 2.232 -20.638 2.460 1.00 0.00 H new ATOM 0 HE ARG A 423 4.145 -20.665 4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 423 4.497 -20.087 1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 423 5.541 -18.679 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 423 5.276 -18.693 4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 423 5.983 -17.890 3.449 1.00 0.00 H new ATOM 811 N TRP A 424 -0.365 -22.974 0.770 1.00 0.00 N ATOM 812 CA TRP A 424 -0.472 -22.865 -0.665 1.00 0.00 C ATOM 813 C TRP A 424 -1.633 -21.952 -1.071 1.00 0.00 C ATOM 814 O TRP A 424 -1.547 -21.277 -2.092 1.00 0.00 O ATOM 815 CB TRP A 424 -0.570 -24.262 -1.276 1.00 0.00 C ATOM 816 CG TRP A 424 -0.243 -24.260 -2.730 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.145 -24.277 -3.728 1.00 0.00 C ATOM 818 CD2 TRP A 424 1.066 -24.225 -3.369 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.497 -24.255 -4.946 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.873 -24.218 -4.782 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.397 -24.193 -2.897 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.951 -24.178 -5.680 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.483 -24.157 -3.791 1.00 0.00 C ATOM 824 CH2 TRP A 424 3.261 -24.146 -5.179 1.00 0.00 C ATOM 0 H TRP A 424 -0.504 -23.920 1.126 1.00 0.00 H new ATOM 0 HA TRP A 424 0.427 -22.392 -1.061 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.109 -24.935 -0.753 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.578 -24.651 -1.132 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.217 -24.304 -3.596 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -0.969 -24.265 -5.850 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.584 -24.196 -1.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 1.774 -24.172 -6.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.493 -24.138 -3.409 1.00 0.00 H new ATOM 0 HH2 TRP A 424 4.099 -24.113 -5.860 1.00 0.00 H new ATOM 835 N ARG A 425 -2.706 -21.919 -0.270 1.00 0.00 N ATOM 836 CA ARG A 425 -3.884 -21.093 -0.488 1.00 0.00 C ATOM 837 C ARG A 425 -3.459 -19.627 -0.478 1.00 0.00 C ATOM 838 O ARG A 425 -3.663 -18.930 -1.471 1.00 0.00 O ATOM 839 CB ARG A 425 -4.931 -21.370 0.601 1.00 0.00 C ATOM 840 CG ARG A 425 -6.288 -20.700 0.342 1.00 0.00 C ATOM 841 CD ARG A 425 -6.862 -20.064 1.616 1.00 0.00 C ATOM 842 NE ARG A 425 -6.900 -20.994 2.759 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.525 -20.745 3.924 1.00 0.00 C ATOM 844 NH1 ARG A 425 -8.165 -19.585 4.107 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.514 -21.659 4.902 1.00 0.00 N ATOM 0 H ARG A 425 -2.773 -22.488 0.574 1.00 0.00 H new ATOM 0 HA ARG A 425 -4.336 -21.329 -1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -5.078 -22.447 0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -4.544 -21.026 1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -6.175 -19.936 -0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -6.990 -21.439 -0.044 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -6.262 -19.194 1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -7.871 -19.705 1.413 1.00 0.00 H new ATOM 0 HE ARG A 425 -6.419 -21.888 2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -8.180 -18.888 3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -8.638 -19.398 4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -7.031 -22.547 4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -7.989 -21.468 5.784 1.00 0.00 H new ATOM 859 N THR A 426 -2.868 -19.165 0.634 1.00 0.00 N ATOM 860 CA THR A 426 -2.406 -17.789 0.767 1.00 0.00 C ATOM 861 C THR A 426 -1.444 -17.451 -0.370 1.00 0.00 C ATOM 862 O THR A 426 -1.556 -16.396 -0.994 1.00 0.00 O ATOM 863 CB THR A 426 -1.714 -17.583 2.122 1.00 0.00 C ATOM 864 OG1 THR A 426 -2.541 -18.029 3.175 1.00 0.00 O ATOM 865 CG2 THR A 426 -1.401 -16.101 2.342 1.00 0.00 C ATOM 0 H THR A 426 -2.700 -19.739 1.460 1.00 0.00 H new ATOM 0 HA THR A 426 -3.268 -17.124 0.714 1.00 0.00 H new ATOM 0 HB THR A 426 -0.789 -18.159 2.114 1.00 0.00 H new ATOM 0 HG1 THR A 426 -2.469 -19.003 3.258 1.00 0.00 H new ATOM 0 HG21 THR A 426 -0.911 -15.972 3.307 1.00 0.00 H new ATOM 0 HG22 THR A 426 -0.742 -15.747 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 426 -2.328 -15.527 2.326 1.00 0.00 H new ATOM 873 N MET A 427 -0.498 -18.359 -0.633 1.00 0.00 N ATOM 874 CA MET A 427 0.491 -18.189 -1.678 1.00 0.00 C ATOM 875 C MET A 427 -0.188 -17.924 -3.027 1.00 0.00 C ATOM 876 O MET A 427 0.021 -16.858 -3.604 1.00 0.00 O ATOM 877 CB MET A 427 1.443 -19.394 -1.661 1.00 0.00 C ATOM 878 CG MET A 427 2.633 -19.275 -2.623 1.00 0.00 C ATOM 879 SD MET A 427 2.275 -19.358 -4.399 1.00 0.00 S ATOM 880 CE MET A 427 1.539 -21.005 -4.485 1.00 0.00 C ATOM 0 H MET A 427 -0.405 -19.234 -0.118 1.00 0.00 H new ATOM 0 HA MET A 427 1.104 -17.305 -1.499 1.00 0.00 H new ATOM 0 HB2 MET A 427 1.822 -19.528 -0.648 1.00 0.00 H new ATOM 0 HB3 MET A 427 0.878 -20.292 -1.911 1.00 0.00 H new ATOM 0 HG2 MET A 427 3.135 -18.328 -2.424 1.00 0.00 H new ATOM 0 HG3 MET A 427 3.341 -20.068 -2.384 1.00 0.00 H new ATOM 0 HE1 MET A 427 1.518 -21.340 -5.522 1.00 0.00 H new ATOM 0 HE2 MET A 427 2.132 -21.700 -3.891 1.00 0.00 H new ATOM 0 HE3 MET A 427 0.522 -20.970 -4.094 1.00 0.00 H new ATOM 890 N LYS A 428 -0.994 -18.866 -3.539 1.00 0.00 N ATOM 891 CA LYS A 428 -1.655 -18.699 -4.827 1.00 0.00 C ATOM 892 C LYS A 428 -2.627 -17.517 -4.856 1.00 0.00 C ATOM 893 O LYS A 428 -2.750 -16.864 -5.886 1.00 0.00 O ATOM 894 CB LYS A 428 -2.308 -19.997 -5.336 1.00 0.00 C ATOM 895 CG LYS A 428 -3.604 -20.422 -4.622 1.00 0.00 C ATOM 896 CD LYS A 428 -4.502 -21.270 -5.532 1.00 0.00 C ATOM 897 CE LYS A 428 -3.850 -22.593 -5.944 1.00 0.00 C ATOM 898 NZ LYS A 428 -4.752 -23.399 -6.787 1.00 0.00 N ATOM 0 H LYS A 428 -1.199 -19.750 -3.074 1.00 0.00 H new ATOM 0 HA LYS A 428 -0.858 -18.455 -5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -2.523 -19.881 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -1.583 -20.806 -5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -3.356 -20.989 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -4.148 -19.535 -4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -5.440 -21.477 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -4.749 -20.698 -6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -2.926 -22.391 -6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -3.579 -23.160 -5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -4.765 -24.380 -6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -5.713 -23.004 -6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -4.415 -23.382 -7.771 1.00 0.00 H new ATOM 912 N LYS A 429 -3.321 -17.234 -3.747 1.00 0.00 N ATOM 913 CA LYS A 429 -4.286 -16.143 -3.671 1.00 0.00 C ATOM 914 C LYS A 429 -3.675 -14.809 -4.106 1.00 0.00 C ATOM 915 O LYS A 429 -4.361 -14.000 -4.729 1.00 0.00 O ATOM 916 CB LYS A 429 -4.858 -16.072 -2.245 1.00 0.00 C ATOM 917 CG LYS A 429 -5.850 -14.925 -1.996 1.00 0.00 C ATOM 918 CD LYS A 429 -7.105 -15.033 -2.876 1.00 0.00 C ATOM 919 CE LYS A 429 -8.117 -13.917 -2.580 1.00 0.00 C ATOM 920 NZ LYS A 429 -8.705 -14.026 -1.231 1.00 0.00 N ATOM 0 H LYS A 429 -3.225 -17.759 -2.878 1.00 0.00 H new ATOM 0 HA LYS A 429 -5.099 -16.343 -4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -5.355 -17.016 -2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -4.030 -15.974 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -6.145 -14.925 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -5.356 -13.973 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -6.816 -14.990 -3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -7.577 -16.002 -2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -7.625 -12.950 -2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -8.914 -13.948 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -9.476 -13.335 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -9.081 -14.986 -1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -7.974 -13.834 -0.517 1.00 0.00 H new