USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=12 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= 0.927 K(o=1.9,f=0.17) USER MOD Set 1.2: A 414 ASN : amide:sc= 0.983 K(o=1.9,f=-0.47) USER MOD Set 2.1: A 402 ASN : amide:sc= 1.03 K(o=2.3,f=-3.1) USER MOD Set 2.2: A 405 LYS NZ :NH3+ 162:sc= 1.27 (180deg=0.0267) USER MOD Set 3.1: A 397 LYS NZ :NH3+ -169:sc= 1.74 (180deg=0.801) USER MOD Set 3.2: A 398 TYR OH : rot 144:sc= 0.711 USER MOD Set 3.3: A 410 TYR OH : rot 30:sc= 0.892 USER MOD Single : A 389 LYS NZ :NH3+ -171:sc=-0.00391 (180deg=-0.0863) USER MOD Single : A 390 ASN : amide:sc= 0.123 K(o=0.12,f=-1.3) USER MOD Single : A 393 SER OG : rot 79:sc= 0.604 USER MOD Single : A 404 SER OG : rot 180:sc=-0.00404 USER MOD Single : A 409 HIS : no HD1:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.327 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 THR OG1 : rot 73:sc= 0.275 USER MOD Single : A 427 MET CE :methyl 171:sc= -0.735 (180deg=-1.16) USER MOD Single : A 428 LYS NZ :NH3+ 179:sc= 1.01 (180deg=1.01) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 6.807 -20.463 14.283 1.00 0.00 N ATOM 72 CA GLN A 381 7.635 -21.398 13.536 1.00 0.00 C ATOM 73 C GLN A 381 7.194 -21.371 12.077 1.00 0.00 C ATOM 74 O GLN A 381 6.654 -22.341 11.548 1.00 0.00 O ATOM 75 CB GLN A 381 7.714 -22.780 14.212 1.00 0.00 C ATOM 76 CG GLN A 381 6.403 -23.412 14.711 1.00 0.00 C ATOM 77 CD GLN A 381 6.663 -24.290 15.932 1.00 0.00 C ATOM 78 OE1 GLN A 381 6.844 -23.769 17.034 1.00 0.00 O ATOM 79 NE2 GLN A 381 6.702 -25.610 15.763 1.00 0.00 N ATOM 0 HA GLN A 381 8.681 -21.091 13.542 1.00 0.00 H new ATOM 0 HB2 GLN A 381 8.172 -23.472 13.505 1.00 0.00 H new ATOM 0 HB3 GLN A 381 8.391 -22.698 15.062 1.00 0.00 H new ATOM 0 HG2 GLN A 381 5.688 -22.629 14.965 1.00 0.00 H new ATOM 0 HG3 GLN A 381 5.954 -24.008 13.916 1.00 0.00 H new ATOM 0 HE21 GLN A 381 6.548 -26.010 14.838 1.00 0.00 H new ATOM 0 HE22 GLN A 381 6.886 -26.221 16.559 1.00 0.00 H new ATOM 88 N ALA A 382 7.451 -20.216 11.449 1.00 0.00 N ATOM 89 CA ALA A 382 7.147 -19.900 10.064 1.00 0.00 C ATOM 90 C ALA A 382 7.792 -20.902 9.113 1.00 0.00 C ATOM 91 O ALA A 382 8.641 -21.697 9.517 1.00 0.00 O ATOM 92 CB ALA A 382 7.629 -18.477 9.763 1.00 0.00 C ATOM 0 H ALA A 382 7.903 -19.438 11.930 1.00 0.00 H new ATOM 0 HA ALA A 382 6.069 -19.961 9.912 1.00 0.00 H new ATOM 0 HB1 ALA A 382 7.406 -18.229 8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 382 7.120 -17.773 10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 382 8.705 -18.415 9.928 1.00 0.00 H new ATOM 98 N TRP A 383 7.376 -20.872 7.848 1.00 0.00 N ATOM 99 CA TRP A 383 7.900 -21.794 6.864 1.00 0.00 C ATOM 100 C TRP A 383 9.278 -21.351 6.386 1.00 0.00 C ATOM 101 O TRP A 383 9.511 -20.177 6.105 1.00 0.00 O ATOM 102 CB TRP A 383 6.932 -21.955 5.698 1.00 0.00 C ATOM 103 CG TRP A 383 5.614 -22.608 6.007 1.00 0.00 C ATOM 104 CD1 TRP A 383 4.697 -22.205 6.916 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.052 -23.802 5.394 1.00 0.00 C ATOM 106 NE1 TRP A 383 3.609 -23.055 6.905 1.00 0.00 N ATOM 107 CE2 TRP A 383 3.777 -24.060 5.976 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.493 -24.693 4.397 1.00 0.00 C ATOM 109 CZ2 TRP A 383 2.978 -25.141 5.577 1.00 0.00 C ATOM 110 CZ3 TRP A 383 4.712 -25.790 4.005 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.454 -26.012 4.588 1.00 0.00 C ATOM 0 H TRP A 383 6.680 -20.219 7.489 1.00 0.00 H new ATOM 0 HA TRP A 383 8.011 -22.770 7.337 1.00 0.00 H new ATOM 0 HB2 TRP A 383 6.734 -20.968 5.280 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.427 -22.537 4.921 1.00 0.00 H new ATOM 0 HD1 TRP A 383 4.801 -21.343 7.558 1.00 0.00 H new ATOM 0 HE1 TRP A 383 2.790 -22.953 7.504 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.451 -24.529 3.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.009 -25.300 6.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.081 -26.468 3.250 1.00 0.00 H new ATOM 0 HH2 TRP A 383 2.854 -26.853 4.274 1.00 0.00 H new ATOM 122 N LEU A 384 10.182 -22.324 6.296 1.00 0.00 N ATOM 123 CA LEU A 384 11.550 -22.139 5.831 1.00 0.00 C ATOM 124 C LEU A 384 11.558 -22.410 4.327 1.00 0.00 C ATOM 125 O LEU A 384 10.576 -22.936 3.794 1.00 0.00 O ATOM 126 CB LEU A 384 12.489 -23.117 6.559 1.00 0.00 C ATOM 127 CG LEU A 384 12.906 -22.664 7.970 1.00 0.00 C ATOM 128 CD1 LEU A 384 11.717 -22.467 8.916 1.00 0.00 C ATOM 129 CD2 LEU A 384 13.855 -23.710 8.567 1.00 0.00 C ATOM 0 H LEU A 384 9.975 -23.289 6.552 1.00 0.00 H new ATOM 0 HA LEU A 384 11.899 -21.127 6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 384 11.998 -24.087 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 384 13.386 -23.258 5.956 1.00 0.00 H new ATOM 0 HG LEU A 384 13.395 -21.695 7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 384 12.079 -22.148 9.893 1.00 0.00 H new ATOM 0 HD12 LEU A 384 11.051 -21.706 8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 384 11.174 -23.407 9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 384 14.157 -23.399 9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 384 13.346 -24.672 8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 384 14.738 -23.804 7.934 1.00 0.00 H new ATOM 141 N TRP A 385 12.659 -22.071 3.634 1.00 0.00 N ATOM 142 CA TRP A 385 12.736 -22.337 2.204 1.00 0.00 C ATOM 143 C TRP A 385 12.482 -23.818 1.988 1.00 0.00 C ATOM 144 O TRP A 385 11.585 -24.134 1.242 1.00 0.00 O ATOM 145 CB TRP A 385 14.063 -21.952 1.526 1.00 0.00 C ATOM 146 CG TRP A 385 15.204 -22.845 1.893 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.801 -22.771 3.082 1.00 0.00 C ATOM 148 CD2 TRP A 385 15.868 -23.940 1.196 1.00 0.00 C ATOM 149 NE1 TRP A 385 16.801 -23.708 3.203 1.00 0.00 N ATOM 150 CE2 TRP A 385 16.881 -24.468 2.055 1.00 0.00 C ATOM 151 CE3 TRP A 385 15.715 -24.551 -0.063 1.00 0.00 C ATOM 152 CZ2 TRP A 385 17.700 -25.542 1.680 1.00 0.00 C ATOM 153 CZ3 TRP A 385 16.526 -25.636 -0.443 1.00 0.00 C ATOM 154 CH2 TRP A 385 17.516 -26.132 0.421 1.00 0.00 C ATOM 0 H TRP A 385 13.483 -21.624 4.036 1.00 0.00 H new ATOM 0 HA TRP A 385 11.984 -21.701 1.737 1.00 0.00 H new ATOM 0 HB2 TRP A 385 13.929 -21.974 0.445 1.00 0.00 H new ATOM 0 HB3 TRP A 385 14.314 -20.926 1.795 1.00 0.00 H new ATOM 0 HD1 TRP A 385 15.533 -22.064 3.854 1.00 0.00 H new ATOM 0 HE1 TRP A 385 17.397 -23.824 4.023 1.00 0.00 H new ATOM 0 HE3 TRP A 385 14.965 -24.182 -0.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 18.462 -25.910 2.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 16.386 -26.093 -1.411 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.133 -26.965 0.117 1.00 0.00 H new ATOM 165 N GLU A 386 13.232 -24.733 2.611 1.00 0.00 N ATOM 166 CA GLU A 386 13.047 -26.155 2.382 1.00 0.00 C ATOM 167 C GLU A 386 11.581 -26.573 2.500 1.00 0.00 C ATOM 168 O GLU A 386 11.131 -27.397 1.713 1.00 0.00 O ATOM 169 CB GLU A 386 14.050 -26.964 3.205 1.00 0.00 C ATOM 170 CG GLU A 386 14.039 -28.446 2.813 1.00 0.00 C ATOM 171 CD GLU A 386 15.210 -29.189 3.448 1.00 0.00 C ATOM 172 OE1 GLU A 386 16.356 -28.863 3.068 1.00 0.00 O ATOM 173 OE2 GLU A 386 14.938 -30.062 4.299 1.00 0.00 O ATOM 0 H GLU A 386 13.971 -24.506 3.276 1.00 0.00 H new ATOM 0 HA GLU A 386 13.282 -26.392 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 386 15.051 -26.557 3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 386 13.815 -26.866 4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 386 13.101 -28.902 3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 386 14.090 -28.539 1.728 1.00 0.00 H new ATOM 180 N GLU A 387 10.808 -25.988 3.422 1.00 0.00 N ATOM 181 CA GLU A 387 9.396 -26.309 3.519 1.00 0.00 C ATOM 182 C GLU A 387 8.648 -25.799 2.273 1.00 0.00 C ATOM 183 O GLU A 387 8.041 -26.600 1.567 1.00 0.00 O ATOM 184 CB GLU A 387 8.809 -25.797 4.839 1.00 0.00 C ATOM 185 CG GLU A 387 9.534 -26.400 6.050 1.00 0.00 C ATOM 186 CD GLU A 387 8.758 -26.127 7.331 1.00 0.00 C ATOM 187 OE1 GLU A 387 8.823 -24.973 7.802 1.00 0.00 O ATOM 188 OE2 GLU A 387 8.062 -27.055 7.801 1.00 0.00 O ATOM 0 H GLU A 387 11.138 -25.300 4.099 1.00 0.00 H new ATOM 0 HA GLU A 387 9.269 -27.391 3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 387 8.883 -24.710 4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.749 -26.046 4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.652 -27.475 5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.536 -25.977 6.128 1.00 0.00 H new ATOM 195 N ASP A 388 8.687 -24.491 1.972 1.00 0.00 N ATOM 196 CA ASP A 388 8.008 -23.932 0.793 1.00 0.00 C ATOM 197 C ASP A 388 8.535 -24.576 -0.500 1.00 0.00 C ATOM 198 O ASP A 388 7.779 -25.141 -1.283 1.00 0.00 O ATOM 199 CB ASP A 388 8.173 -22.401 0.750 1.00 0.00 C ATOM 200 CG ASP A 388 7.202 -21.639 1.653 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.474 -22.286 2.435 1.00 0.00 O ATOM 202 OD2 ASP A 388 7.161 -20.397 1.519 1.00 0.00 O ATOM 0 H ASP A 388 9.184 -23.799 2.532 1.00 0.00 H new ATOM 0 HA ASP A 388 6.945 -24.159 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.193 -22.149 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 388 8.039 -22.061 -0.277 1.00 0.00 H new ATOM 207 N LYS A 389 9.848 -24.492 -0.702 1.00 0.00 N ATOM 208 CA LYS A 389 10.654 -25.027 -1.787 1.00 0.00 C ATOM 209 C LYS A 389 10.260 -26.491 -2.069 1.00 0.00 C ATOM 210 O LYS A 389 9.891 -26.841 -3.196 1.00 0.00 O ATOM 211 CB LYS A 389 12.161 -24.891 -1.410 1.00 0.00 C ATOM 212 CG LYS A 389 13.072 -25.286 -2.584 1.00 0.00 C ATOM 213 CD LYS A 389 13.273 -24.113 -3.554 1.00 0.00 C ATOM 214 CE LYS A 389 14.202 -24.482 -4.718 1.00 0.00 C ATOM 215 NZ LYS A 389 15.576 -24.785 -4.269 1.00 0.00 N ATOM 0 H LYS A 389 10.433 -23.991 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 389 10.476 -24.465 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.372 -23.863 -1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.380 -25.522 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 389 14.039 -25.615 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 389 12.636 -26.131 -3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 389 12.306 -23.798 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 389 13.689 -23.263 -3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 389 13.796 -25.346 -5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 389 14.229 -23.659 -5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 16.199 -24.878 -5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 15.921 -24.014 -3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 15.577 -25.676 -3.732 1.00 0.00 H new ATOM 229 N ASN A 390 10.343 -27.360 -1.053 1.00 0.00 N ATOM 230 CA ASN A 390 10.018 -28.773 -1.206 1.00 0.00 C ATOM 231 C ASN A 390 8.520 -28.972 -1.446 1.00 0.00 C ATOM 232 O ASN A 390 8.147 -29.806 -2.266 1.00 0.00 O ATOM 233 CB ASN A 390 10.551 -29.585 -0.018 1.00 0.00 C ATOM 234 CG ASN A 390 10.701 -31.074 -0.302 1.00 0.00 C ATOM 235 OD1 ASN A 390 10.555 -31.527 -1.434 1.00 0.00 O ATOM 236 ND2 ASN A 390 11.040 -31.840 0.735 1.00 0.00 N ATOM 0 H ASN A 390 10.636 -27.100 -0.111 1.00 0.00 H new ATOM 0 HA ASN A 390 10.521 -29.154 -2.095 1.00 0.00 H new ATOM 0 HB2 ASN A 390 11.520 -29.183 0.278 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.879 -29.453 0.830 1.00 0.00 H new ATOM 0 HD21 ASN A 390 11.188 -32.841 0.603 1.00 0.00 H new ATOM 0 HD22 ASN A 390 11.152 -31.425 1.660 1.00 0.00 H new ATOM 243 N LEU A 391 7.651 -28.202 -0.774 1.00 0.00 N ATOM 244 CA LEU A 391 6.207 -28.270 -0.978 1.00 0.00 C ATOM 245 C LEU A 391 5.901 -28.001 -2.455 1.00 0.00 C ATOM 246 O LEU A 391 5.130 -28.732 -3.068 1.00 0.00 O ATOM 247 CB LEU A 391 5.483 -27.276 -0.050 1.00 0.00 C ATOM 248 CG LEU A 391 3.986 -27.110 -0.353 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.243 -28.438 -0.234 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.360 -26.085 0.600 1.00 0.00 C ATOM 0 H LEU A 391 7.936 -27.516 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 391 5.841 -29.265 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.599 -27.608 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 391 5.968 -26.303 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 391 3.895 -26.756 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.187 -28.285 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.662 -29.154 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.350 -28.825 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.299 -25.978 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.479 -26.425 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 391 3.856 -25.123 0.476 1.00 0.00 H new ATOM 262 N ARG A 392 6.523 -26.965 -3.032 1.00 0.00 N ATOM 263 CA ARG A 392 6.379 -26.586 -4.432 1.00 0.00 C ATOM 264 C ARG A 392 6.749 -27.784 -5.307 1.00 0.00 C ATOM 265 O ARG A 392 5.993 -28.163 -6.204 1.00 0.00 O ATOM 266 CB ARG A 392 7.240 -25.340 -4.700 1.00 0.00 C ATOM 267 CG ARG A 392 6.886 -24.613 -6.002 1.00 0.00 C ATOM 268 CD ARG A 392 7.778 -23.372 -6.162 1.00 0.00 C ATOM 269 NE ARG A 392 7.428 -22.596 -7.365 1.00 0.00 N ATOM 270 CZ ARG A 392 6.637 -21.507 -7.420 1.00 0.00 C ATOM 271 NH1 ARG A 392 6.100 -20.974 -6.316 1.00 0.00 N ATOM 272 NH2 ARG A 392 6.358 -20.950 -8.606 1.00 0.00 N ATOM 0 H ARG A 392 7.157 -26.354 -2.518 1.00 0.00 H new ATOM 0 HA ARG A 392 5.351 -26.319 -4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 392 7.129 -24.647 -3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.289 -25.635 -4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 392 7.022 -25.282 -6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 392 5.836 -24.319 -5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 392 7.681 -22.739 -5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 392 8.822 -23.680 -6.220 1.00 0.00 H new ATOM 0 HE ARG A 392 7.826 -22.917 -8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 392 6.286 -21.393 -5.405 1.00 0.00 H new ATOM 0 HH12 ARG A 392 5.504 -20.149 -6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 392 6.744 -21.351 -9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 392 5.760 -20.125 -8.654 1.00 0.00 H new ATOM 286 N SER A 393 7.900 -28.400 -5.016 1.00 0.00 N ATOM 287 CA SER A 393 8.375 -29.584 -5.721 1.00 0.00 C ATOM 288 C SER A 393 7.370 -30.744 -5.584 1.00 0.00 C ATOM 289 O SER A 393 7.175 -31.529 -6.517 1.00 0.00 O ATOM 290 CB SER A 393 9.760 -29.969 -5.183 1.00 0.00 C ATOM 291 OG SER A 393 10.621 -28.845 -5.174 1.00 0.00 O ATOM 0 H SER A 393 8.529 -28.084 -4.278 1.00 0.00 H new ATOM 0 HA SER A 393 8.462 -29.363 -6.785 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.666 -30.370 -4.174 1.00 0.00 H new ATOM 0 HB3 SER A 393 10.190 -30.758 -5.800 1.00 0.00 H new ATOM 0 HG SER A 393 10.423 -28.288 -4.393 1.00 0.00 H new ATOM 297 N GLY A 394 6.732 -30.848 -4.412 1.00 0.00 N ATOM 298 CA GLY A 394 5.742 -31.859 -4.086 1.00 0.00 C ATOM 299 C GLY A 394 4.494 -31.689 -4.939 1.00 0.00 C ATOM 300 O GLY A 394 4.091 -32.630 -5.615 1.00 0.00 O ATOM 0 H GLY A 394 6.904 -30.202 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 394 6.164 -32.852 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.479 -31.789 -3.031 1.00 0.00 H new ATOM 304 N VAL A 395 3.888 -30.499 -4.929 1.00 0.00 N ATOM 305 CA VAL A 395 2.701 -30.219 -5.723 1.00 0.00 C ATOM 306 C VAL A 395 3.004 -30.452 -7.202 1.00 0.00 C ATOM 307 O VAL A 395 2.189 -31.040 -7.909 1.00 0.00 O ATOM 308 CB VAL A 395 2.193 -28.790 -5.460 1.00 0.00 C ATOM 309 CG1 VAL A 395 1.060 -28.449 -6.437 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.665 -28.662 -4.026 1.00 0.00 C ATOM 0 H VAL A 395 4.209 -29.708 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 395 1.902 -30.900 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 395 3.026 -28.101 -5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.706 -27.436 -6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.430 -28.516 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.239 -29.152 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.310 -27.645 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 395 0.843 -29.362 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.466 -28.888 -3.322 1.00 0.00 H new ATOM 320 N ARG A 396 4.171 -30.000 -7.673 1.00 0.00 N ATOM 321 CA ARG A 396 4.566 -30.166 -9.062 1.00 0.00 C ATOM 322 C ARG A 396 4.558 -31.637 -9.489 1.00 0.00 C ATOM 323 O ARG A 396 3.998 -31.965 -10.533 1.00 0.00 O ATOM 324 CB ARG A 396 5.939 -29.512 -9.289 1.00 0.00 C ATOM 325 CG ARG A 396 6.481 -29.673 -10.718 1.00 0.00 C ATOM 326 CD ARG A 396 5.518 -29.125 -11.779 1.00 0.00 C ATOM 327 NE ARG A 396 6.111 -29.191 -13.122 1.00 0.00 N ATOM 328 CZ ARG A 396 5.450 -28.924 -14.261 1.00 0.00 C ATOM 329 NH1 ARG A 396 4.162 -28.556 -14.226 1.00 0.00 N ATOM 330 NH2 ARG A 396 6.081 -29.027 -15.438 1.00 0.00 N ATOM 0 H ARG A 396 4.860 -29.512 -7.100 1.00 0.00 H new ATOM 0 HA ARG A 396 3.832 -29.664 -9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 396 5.866 -28.449 -9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 396 6.655 -29.943 -8.589 1.00 0.00 H new ATOM 0 HG2 ARG A 396 7.438 -29.157 -10.800 1.00 0.00 H new ATOM 0 HG3 ARG A 396 6.670 -30.728 -10.914 1.00 0.00 H new ATOM 0 HD2 ARG A 396 4.590 -29.696 -11.760 1.00 0.00 H new ATOM 0 HD3 ARG A 396 5.262 -28.092 -11.542 1.00 0.00 H new ATOM 0 HE ARG A 396 7.093 -29.458 -13.195 1.00 0.00 H new ATOM 0 HH11 ARG A 396 3.678 -28.477 -13.331 1.00 0.00 H new ATOM 0 HH12 ARG A 396 3.665 -28.355 -15.094 1.00 0.00 H new ATOM 0 HH21 ARG A 396 7.061 -29.308 -15.468 1.00 0.00 H new ATOM 0 HH22 ARG A 396 5.581 -28.825 -16.304 1.00 0.00 H new ATOM 344 N LYS A 397 5.190 -32.521 -8.707 1.00 0.00 N ATOM 345 CA LYS A 397 5.279 -33.939 -9.054 1.00 0.00 C ATOM 346 C LYS A 397 4.040 -34.778 -8.720 1.00 0.00 C ATOM 347 O LYS A 397 3.704 -35.684 -9.478 1.00 0.00 O ATOM 348 CB LYS A 397 6.517 -34.547 -8.388 1.00 0.00 C ATOM 349 CG LYS A 397 7.804 -33.941 -8.967 1.00 0.00 C ATOM 350 CD LYS A 397 9.053 -34.720 -8.534 1.00 0.00 C ATOM 351 CE LYS A 397 9.187 -34.867 -7.014 1.00 0.00 C ATOM 352 NZ LYS A 397 9.152 -33.566 -6.324 1.00 0.00 N ATOM 0 H LYS A 397 5.647 -32.276 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 397 5.353 -33.970 -10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 397 6.479 -34.372 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 397 6.521 -35.627 -8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 397 7.742 -33.931 -10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 397 7.894 -32.904 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 397 9.028 -35.712 -8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 397 9.938 -34.216 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 397 8.380 -35.497 -6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 397 10.123 -35.375 -6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 9.430 -33.693 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 9.812 -32.909 -6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 8.189 -33.176 -6.367 1.00 0.00 H new ATOM 366 N TYR A 398 3.394 -34.528 -7.578 1.00 0.00 N ATOM 367 CA TYR A 398 2.269 -35.321 -7.082 1.00 0.00 C ATOM 368 C TYR A 398 0.883 -34.751 -7.396 1.00 0.00 C ATOM 369 O TYR A 398 -0.076 -35.522 -7.444 1.00 0.00 O ATOM 370 CB TYR A 398 2.463 -35.563 -5.576 1.00 0.00 C ATOM 371 CG TYR A 398 3.896 -35.883 -5.169 1.00 0.00 C ATOM 372 CD1 TYR A 398 4.691 -36.745 -5.950 1.00 0.00 C ATOM 373 CD2 TYR A 398 4.441 -35.306 -4.008 1.00 0.00 C ATOM 374 CE1 TYR A 398 6.017 -37.016 -5.577 1.00 0.00 C ATOM 375 CE2 TYR A 398 5.766 -35.581 -3.632 1.00 0.00 C ATOM 376 CZ TYR A 398 6.556 -36.435 -4.417 1.00 0.00 C ATOM 377 OH TYR A 398 7.844 -36.702 -4.061 1.00 0.00 O ATOM 0 H TYR A 398 3.644 -33.754 -6.962 1.00 0.00 H new ATOM 0 HA TYR A 398 2.282 -36.266 -7.625 1.00 0.00 H new ATOM 0 HB2 TYR A 398 2.133 -34.677 -5.033 1.00 0.00 H new ATOM 0 HB3 TYR A 398 1.818 -36.385 -5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 398 4.279 -37.199 -6.839 1.00 0.00 H new ATOM 0 HD2 TYR A 398 3.837 -34.647 -3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 398 6.624 -37.672 -6.183 1.00 0.00 H new ATOM 0 HE2 TYR A 398 6.177 -35.135 -2.738 1.00 0.00 H new ATOM 0 HH TYR A 398 8.247 -35.901 -3.666 1.00 0.00 H new ATOM 387 N GLY A 399 0.777 -33.433 -7.607 1.00 0.00 N ATOM 388 CA GLY A 399 -0.468 -32.740 -7.922 1.00 0.00 C ATOM 389 C GLY A 399 -0.971 -31.913 -6.739 1.00 0.00 C ATOM 390 O GLY A 399 -0.676 -32.225 -5.585 1.00 0.00 O ATOM 0 H GLY A 399 1.580 -32.806 -7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.314 -32.088 -8.782 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.228 -33.468 -8.206 1.00 0.00 H new ATOM 394 N GLU A 400 -1.739 -30.853 -7.030 1.00 0.00 N ATOM 395 CA GLU A 400 -2.315 -29.979 -6.015 1.00 0.00 C ATOM 396 C GLU A 400 -3.485 -30.709 -5.350 1.00 0.00 C ATOM 397 O GLU A 400 -4.105 -31.581 -5.957 1.00 0.00 O ATOM 398 CB GLU A 400 -2.741 -28.635 -6.640 1.00 0.00 C ATOM 399 CG GLU A 400 -3.175 -27.611 -5.576 1.00 0.00 C ATOM 400 CD GLU A 400 -3.467 -26.222 -6.142 1.00 0.00 C ATOM 401 OE1 GLU A 400 -2.599 -25.682 -6.863 1.00 0.00 O ATOM 402 OE2 GLU A 400 -4.528 -25.661 -5.795 1.00 0.00 O ATOM 0 H GLU A 400 -1.975 -30.582 -7.984 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.575 -29.744 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -1.912 -28.226 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.563 -28.804 -7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.066 -27.982 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.392 -27.529 -4.823 1.00 0.00 H new ATOM 409 N GLY A 401 -3.780 -30.355 -4.097 1.00 0.00 N ATOM 410 CA GLY A 401 -4.864 -30.960 -3.343 1.00 0.00 C ATOM 411 C GLY A 401 -4.561 -32.403 -2.954 1.00 0.00 C ATOM 412 O GLY A 401 -5.479 -33.206 -2.804 1.00 0.00 O ATOM 0 H GLY A 401 -3.269 -29.639 -3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.049 -30.374 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -5.778 -30.930 -3.936 1.00 0.00 H new ATOM 416 N ASN A 402 -3.275 -32.740 -2.793 1.00 0.00 N ATOM 417 CA ASN A 402 -2.812 -34.070 -2.419 1.00 0.00 C ATOM 418 C ASN A 402 -1.822 -33.902 -1.272 1.00 0.00 C ATOM 419 O ASN A 402 -0.678 -34.360 -1.337 1.00 0.00 O ATOM 420 CB ASN A 402 -2.156 -34.773 -3.615 1.00 0.00 C ATOM 421 CG ASN A 402 -3.048 -35.014 -4.834 1.00 0.00 C ATOM 422 OD1 ASN A 402 -2.534 -35.271 -5.919 1.00 0.00 O ATOM 423 ND2 ASN A 402 -4.371 -34.990 -4.689 1.00 0.00 N ATOM 0 H ASN A 402 -2.514 -32.074 -2.924 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.650 -34.693 -2.106 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -1.298 -34.180 -3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -1.772 -35.735 -3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -4.975 -35.187 -5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -4.781 -34.775 -3.780 1.00 0.00 H new ATOM 430 N TRP A 403 -2.272 -33.223 -0.215 1.00 0.00 N ATOM 431 CA TRP A 403 -1.467 -32.940 0.963 1.00 0.00 C ATOM 432 C TRP A 403 -1.047 -34.238 1.652 1.00 0.00 C ATOM 433 O TRP A 403 -0.002 -34.270 2.293 1.00 0.00 O ATOM 434 CB TRP A 403 -2.161 -31.908 1.864 1.00 0.00 C ATOM 435 CG TRP A 403 -2.967 -30.919 1.080 1.00 0.00 C ATOM 436 CD1 TRP A 403 -4.314 -30.799 1.074 1.00 0.00 C ATOM 437 CD2 TRP A 403 -2.472 -29.922 0.147 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.690 -29.799 0.196 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.587 -29.226 -0.401 1.00 0.00 C ATOM 440 CE3 TRP A 403 -1.187 -29.543 -0.299 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -3.434 -28.204 -1.345 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -1.023 -28.516 -1.241 1.00 0.00 C ATOM 443 CH2 TRP A 403 -2.144 -27.852 -1.761 1.00 0.00 C ATOM 0 H TRP A 403 -3.220 -32.851 -0.158 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.531 -32.464 0.671 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.811 -32.425 2.570 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.410 -31.378 2.450 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.994 -31.394 1.666 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.655 -29.522 0.014 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -0.317 -30.051 0.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -4.298 -27.695 -1.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 -0.032 -28.236 -1.566 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -2.011 -27.064 -2.487 1.00 0.00 H new ATOM 454 N SER A 404 -1.829 -35.313 1.487 1.00 0.00 N ATOM 455 CA SER A 404 -1.519 -36.626 2.030 1.00 0.00 C ATOM 456 C SER A 404 -0.230 -37.126 1.376 1.00 0.00 C ATOM 457 O SER A 404 0.754 -37.387 2.067 1.00 0.00 O ATOM 458 CB SER A 404 -2.685 -37.589 1.772 1.00 0.00 C ATOM 459 OG SER A 404 -3.068 -37.569 0.409 1.00 0.00 O ATOM 0 H SER A 404 -2.705 -35.286 0.964 1.00 0.00 H new ATOM 0 HA SER A 404 -1.374 -36.568 3.109 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.396 -38.600 2.057 1.00 0.00 H new ATOM 0 HB3 SER A 404 -3.535 -37.312 2.396 1.00 0.00 H new ATOM 0 HG SER A 404 -3.812 -38.192 0.269 1.00 0.00 H new ATOM 465 N LYS A 405 -0.240 -37.238 0.040 1.00 0.00 N ATOM 466 CA LYS A 405 0.911 -37.673 -0.742 1.00 0.00 C ATOM 467 C LYS A 405 2.128 -36.840 -0.344 1.00 0.00 C ATOM 468 O LYS A 405 3.149 -37.379 0.075 1.00 0.00 O ATOM 469 CB LYS A 405 0.679 -37.479 -2.251 1.00 0.00 C ATOM 470 CG LYS A 405 -0.478 -38.262 -2.881 1.00 0.00 C ATOM 471 CD LYS A 405 -0.446 -37.954 -4.389 1.00 0.00 C ATOM 472 CE LYS A 405 -1.702 -38.408 -5.138 1.00 0.00 C ATOM 473 NZ LYS A 405 -1.727 -37.849 -6.507 1.00 0.00 N ATOM 0 H LYS A 405 -1.060 -37.025 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 405 1.068 -38.733 -0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.510 -36.418 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 405 1.596 -37.751 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -0.366 -39.331 -2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -1.431 -37.964 -2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -0.319 -36.880 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 405 0.425 -38.438 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -1.730 -39.497 -5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -2.591 -38.089 -4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -2.396 -38.390 -7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -2.026 -36.854 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -0.776 -37.909 -6.924 1.00 0.00 H new ATOM 487 N ILE A 406 2.002 -35.516 -0.489 1.00 0.00 N ATOM 488 CA ILE A 406 3.051 -34.555 -0.193 1.00 0.00 C ATOM 489 C ILE A 406 3.627 -34.771 1.208 1.00 0.00 C ATOM 490 O ILE A 406 4.843 -34.840 1.346 1.00 0.00 O ATOM 491 CB ILE A 406 2.513 -33.131 -0.414 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.245 -32.899 -1.913 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.505 -32.082 0.099 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.358 -31.686 -2.188 1.00 0.00 C ATOM 0 H ILE A 406 1.143 -35.080 -0.824 1.00 0.00 H new ATOM 0 HA ILE A 406 3.887 -34.703 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 406 1.583 -33.029 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.196 -32.769 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.773 -33.788 -2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.099 -31.084 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 406 3.672 -32.230 1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.450 -32.184 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.209 -31.580 -3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.393 -31.823 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 406 1.838 -30.788 -1.798 1.00 0.00 H new ATOM 506 N LEU A 407 2.776 -34.879 2.232 1.00 0.00 N ATOM 507 CA LEU A 407 3.193 -35.086 3.615 1.00 0.00 C ATOM 508 C LEU A 407 3.968 -36.396 3.774 1.00 0.00 C ATOM 509 O LEU A 407 4.963 -36.439 4.495 1.00 0.00 O ATOM 510 CB LEU A 407 1.956 -35.016 4.526 1.00 0.00 C ATOM 511 CG LEU A 407 2.258 -35.069 6.035 1.00 0.00 C ATOM 512 CD1 LEU A 407 1.177 -34.284 6.789 1.00 0.00 C ATOM 513 CD2 LEU A 407 2.267 -36.503 6.583 1.00 0.00 C ATOM 0 H LEU A 407 1.764 -34.824 2.118 1.00 0.00 H new ATOM 0 HA LEU A 407 3.883 -34.296 3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 407 1.416 -34.094 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 407 1.290 -35.842 4.274 1.00 0.00 H new ATOM 0 HG LEU A 407 3.249 -34.639 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 407 1.383 -34.316 7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 407 1.177 -33.248 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 407 0.201 -34.729 6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 407 2.485 -36.483 7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 407 1.291 -36.961 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 407 3.031 -37.085 6.068 1.00 0.00 H new ATOM 525 N LEU A 408 3.519 -37.470 3.113 1.00 0.00 N ATOM 526 CA LEU A 408 4.173 -38.769 3.201 1.00 0.00 C ATOM 527 C LEU A 408 5.550 -38.729 2.536 1.00 0.00 C ATOM 528 O LEU A 408 6.536 -39.157 3.133 1.00 0.00 O ATOM 529 CB LEU A 408 3.284 -39.855 2.575 1.00 0.00 C ATOM 530 CG LEU A 408 2.003 -40.131 3.385 1.00 0.00 C ATOM 531 CD1 LEU A 408 1.016 -40.917 2.515 1.00 0.00 C ATOM 532 CD2 LEU A 408 2.294 -40.929 4.662 1.00 0.00 C ATOM 0 H LEU A 408 2.698 -37.458 2.508 1.00 0.00 H new ATOM 0 HA LEU A 408 4.321 -39.015 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 408 3.009 -39.553 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 408 3.857 -40.778 2.487 1.00 0.00 H new ATOM 0 HG LEU A 408 1.579 -39.171 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 408 0.107 -41.115 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 408 0.769 -40.334 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 408 1.469 -41.862 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 408 1.364 -41.102 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 408 2.743 -41.886 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 408 2.982 -40.367 5.293 1.00 0.00 H new ATOM 544 N HIS A 409 5.618 -38.220 1.302 1.00 0.00 N ATOM 545 CA HIS A 409 6.856 -38.122 0.543 1.00 0.00 C ATOM 546 C HIS A 409 7.855 -37.176 1.208 1.00 0.00 C ATOM 547 O HIS A 409 9.029 -37.515 1.342 1.00 0.00 O ATOM 548 CB HIS A 409 6.559 -37.628 -0.878 1.00 0.00 C ATOM 549 CG HIS A 409 5.731 -38.569 -1.714 1.00 0.00 C ATOM 550 ND1 HIS A 409 6.123 -39.870 -1.993 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.523 -38.415 -2.350 1.00 0.00 C ATOM 552 CE1 HIS A 409 5.164 -40.420 -2.757 1.00 0.00 C ATOM 553 NE2 HIS A 409 4.157 -39.582 -3.012 1.00 0.00 N ATOM 0 H HIS A 409 4.804 -37.863 0.802 1.00 0.00 H new ATOM 0 HA HIS A 409 7.301 -39.117 0.509 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.042 -36.671 -0.814 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.504 -37.446 -1.389 1.00 0.00 H new ATOM 0 HD2 HIS A 409 3.936 -37.509 -2.338 1.00 0.00 H new ATOM 0 HE1 HIS A 409 5.204 -41.434 -3.126 1.00 0.00 H new ATOM 0 HE2 HIS A 409 3.317 -39.756 -3.563 1.00 0.00 H new ATOM 561 N TYR A 410 7.387 -35.986 1.595 1.00 0.00 N ATOM 562 CA TYR A 410 8.179 -34.931 2.203 1.00 0.00 C ATOM 563 C TYR A 410 7.598 -34.510 3.548 1.00 0.00 C ATOM 564 O TYR A 410 6.466 -34.041 3.621 1.00 0.00 O ATOM 565 CB TYR A 410 8.203 -33.720 1.263 1.00 0.00 C ATOM 566 CG TYR A 410 8.751 -33.973 -0.129 1.00 0.00 C ATOM 567 CD1 TYR A 410 9.913 -34.747 -0.317 1.00 0.00 C ATOM 568 CD2 TYR A 410 8.098 -33.418 -1.247 1.00 0.00 C ATOM 569 CE1 TYR A 410 10.417 -34.966 -1.607 1.00 0.00 C ATOM 570 CE2 TYR A 410 8.604 -33.637 -2.538 1.00 0.00 C ATOM 571 CZ TYR A 410 9.764 -34.408 -2.718 1.00 0.00 C ATOM 572 OH TYR A 410 10.253 -34.615 -3.974 1.00 0.00 O ATOM 0 H TYR A 410 6.406 -35.728 1.486 1.00 0.00 H new ATOM 0 HA TYR A 410 9.188 -35.308 2.369 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.187 -33.338 1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 410 8.797 -32.934 1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.418 -35.174 0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 410 7.207 -32.823 -1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 410 11.306 -35.563 -1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 410 8.101 -33.212 -3.394 1.00 0.00 H new ATOM 0 HH TYR A 410 10.708 -35.482 -4.009 1.00 0.00 H new ATOM 582 N LYS A 411 8.393 -34.659 4.609 1.00 0.00 N ATOM 583 CA LYS A 411 8.002 -34.262 5.949 1.00 0.00 C ATOM 584 C LYS A 411 8.259 -32.761 6.117 1.00 0.00 C ATOM 585 O LYS A 411 8.942 -32.145 5.298 1.00 0.00 O ATOM 586 CB LYS A 411 8.762 -35.108 6.975 1.00 0.00 C ATOM 587 CG LYS A 411 8.362 -36.585 6.837 1.00 0.00 C ATOM 588 CD LYS A 411 9.053 -37.440 7.902 1.00 0.00 C ATOM 589 CE LYS A 411 8.640 -38.909 7.738 1.00 0.00 C ATOM 590 NZ LYS A 411 9.289 -39.774 8.741 1.00 0.00 N ATOM 0 H LYS A 411 9.329 -35.061 4.555 1.00 0.00 H new ATOM 0 HA LYS A 411 6.939 -34.437 6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 411 9.836 -34.998 6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 411 8.543 -34.756 7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 411 7.281 -36.683 6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 411 8.630 -36.947 5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.135 -37.345 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 411 8.783 -37.086 8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 411 7.557 -38.995 7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 411 8.903 -39.251 6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 8.986 -40.759 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 10.322 -39.711 8.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 9.018 -39.463 9.696 1.00 0.00 H new ATOM 604 N PHE A 412 7.696 -32.179 7.177 1.00 0.00 N ATOM 605 CA PHE A 412 7.798 -30.762 7.499 1.00 0.00 C ATOM 606 C PHE A 412 7.926 -30.604 9.015 1.00 0.00 C ATOM 607 O PHE A 412 7.901 -31.601 9.736 1.00 0.00 O ATOM 608 CB PHE A 412 6.531 -30.069 6.989 1.00 0.00 C ATOM 609 CG PHE A 412 6.292 -30.156 5.494 1.00 0.00 C ATOM 610 CD1 PHE A 412 6.934 -29.249 4.634 1.00 0.00 C ATOM 611 CD2 PHE A 412 5.433 -31.135 4.959 1.00 0.00 C ATOM 612 CE1 PHE A 412 6.719 -29.317 3.247 1.00 0.00 C ATOM 613 CE2 PHE A 412 5.220 -31.199 3.571 1.00 0.00 C ATOM 614 CZ PHE A 412 5.861 -30.288 2.710 1.00 0.00 C ATOM 0 H PHE A 412 7.140 -32.701 7.854 1.00 0.00 H new ATOM 0 HA PHE A 412 8.673 -30.313 7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 412 5.671 -30.500 7.502 1.00 0.00 H new ATOM 0 HB3 PHE A 412 6.575 -29.017 7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 412 7.595 -28.497 5.040 1.00 0.00 H new ATOM 0 HD2 PHE A 412 4.938 -31.836 5.615 1.00 0.00 H new ATOM 0 HE1 PHE A 412 7.217 -28.618 2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 412 4.561 -31.951 3.163 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.693 -30.336 1.644 1.00 0.00 H new ATOM 624 N ASN A 413 8.052 -29.362 9.503 1.00 0.00 N ATOM 625 CA ASN A 413 8.181 -29.076 10.931 1.00 0.00 C ATOM 626 C ASN A 413 7.033 -29.698 11.730 1.00 0.00 C ATOM 627 O ASN A 413 7.255 -30.502 12.632 1.00 0.00 O ATOM 628 CB ASN A 413 8.211 -27.558 11.182 1.00 0.00 C ATOM 629 CG ASN A 413 9.436 -26.844 10.616 1.00 0.00 C ATOM 630 OD1 ASN A 413 10.367 -27.471 10.117 1.00 0.00 O ATOM 631 ND2 ASN A 413 9.442 -25.514 10.705 1.00 0.00 N ATOM 0 H ASN A 413 8.067 -28.529 8.914 1.00 0.00 H new ATOM 0 HA ASN A 413 9.120 -29.517 11.265 1.00 0.00 H new ATOM 0 HB2 ASN A 413 7.315 -27.114 10.748 1.00 0.00 H new ATOM 0 HB3 ASN A 413 8.167 -27.380 12.256 1.00 0.00 H new ATOM 0 HD21 ASN A 413 10.238 -24.983 10.352 1.00 0.00 H new ATOM 0 HD22 ASN A 413 8.651 -25.027 11.126 1.00 0.00 H new ATOM 638 N ASN A 414 5.801 -29.301 11.396 1.00 0.00 N ATOM 639 CA ASN A 414 4.564 -29.734 12.038 1.00 0.00 C ATOM 640 C ASN A 414 3.374 -29.372 11.142 1.00 0.00 C ATOM 641 O ASN A 414 2.323 -28.955 11.629 1.00 0.00 O ATOM 642 CB ASN A 414 4.457 -29.029 13.403 1.00 0.00 C ATOM 643 CG ASN A 414 4.597 -27.507 13.277 1.00 0.00 C ATOM 644 OD1 ASN A 414 5.675 -26.960 13.492 1.00 0.00 O ATOM 645 ND2 ASN A 414 3.522 -26.809 12.911 1.00 0.00 N ATOM 0 H ASN A 414 5.636 -28.640 10.637 1.00 0.00 H new ATOM 0 HA ASN A 414 4.562 -30.814 12.188 1.00 0.00 H new ATOM 0 HB2 ASN A 414 3.497 -29.268 13.860 1.00 0.00 H new ATOM 0 HB3 ASN A 414 5.231 -29.410 14.069 1.00 0.00 H new ATOM 0 HD21 ASN A 414 3.584 -25.797 12.804 1.00 0.00 H new ATOM 0 HD22 ASN A 414 2.638 -27.287 12.738 1.00 0.00 H new ATOM 652 N ARG A 415 3.546 -29.495 9.822 1.00 0.00 N ATOM 653 CA ARG A 415 2.529 -29.110 8.859 1.00 0.00 C ATOM 654 C ARG A 415 1.563 -30.252 8.566 1.00 0.00 C ATOM 655 O ARG A 415 1.945 -31.278 8.009 1.00 0.00 O ATOM 656 CB ARG A 415 3.174 -28.596 7.568 1.00 0.00 C ATOM 657 CG ARG A 415 3.844 -27.223 7.712 1.00 0.00 C ATOM 658 CD ARG A 415 4.824 -27.077 8.868 1.00 0.00 C ATOM 659 NE ARG A 415 5.708 -25.922 8.676 1.00 0.00 N ATOM 660 CZ ARG A 415 5.682 -24.777 9.377 1.00 0.00 C ATOM 661 NH1 ARG A 415 4.597 -24.427 10.086 1.00 0.00 N ATOM 662 NH2 ARG A 415 6.768 -24.003 9.375 1.00 0.00 N ATOM 0 H ARG A 415 4.397 -29.865 9.399 1.00 0.00 H new ATOM 0 HA ARG A 415 1.948 -28.301 9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 415 3.918 -29.319 7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.412 -28.538 6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 415 4.371 -26.999 6.784 1.00 0.00 H new ATOM 0 HG3 ARG A 415 3.064 -26.470 7.826 1.00 0.00 H new ATOM 0 HD2 ARG A 415 4.273 -26.965 9.802 1.00 0.00 H new ATOM 0 HD3 ARG A 415 5.422 -27.984 8.957 1.00 0.00 H new ATOM 0 HE ARG A 415 6.410 -25.996 7.939 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.777 -25.034 10.097 1.00 0.00 H new ATOM 0 HH12 ARG A 415 4.592 -23.554 10.614 1.00 0.00 H new ATOM 0 HH21 ARG A 415 7.595 -24.285 8.848 1.00 0.00 H new ATOM 0 HH22 ARG A 415 6.772 -23.129 9.900 1.00 0.00 H new ATOM 676 N THR A 416 0.303 -30.031 8.937 1.00 0.00 N ATOM 677 CA THR A 416 -0.821 -30.927 8.734 1.00 0.00 C ATOM 678 C THR A 416 -1.404 -30.693 7.337 1.00 0.00 C ATOM 679 O THR A 416 -0.975 -29.786 6.622 1.00 0.00 O ATOM 680 CB THR A 416 -1.880 -30.567 9.788 1.00 0.00 C ATOM 681 OG1 THR A 416 -2.232 -29.202 9.631 1.00 0.00 O ATOM 682 CG2 THR A 416 -1.363 -30.801 11.212 1.00 0.00 C ATOM 0 H THR A 416 0.030 -29.172 9.414 1.00 0.00 H new ATOM 0 HA THR A 416 -0.514 -31.969 8.824 1.00 0.00 H new ATOM 0 HB THR A 416 -2.748 -31.209 9.640 1.00 0.00 H new ATOM 0 HG1 THR A 416 -2.909 -28.960 10.297 1.00 0.00 H new ATOM 0 HG21 THR A 416 -2.140 -30.535 11.929 1.00 0.00 H new ATOM 0 HG22 THR A 416 -1.099 -31.851 11.335 1.00 0.00 H new ATOM 0 HG23 THR A 416 -0.482 -30.183 11.385 1.00 0.00 H new ATOM 690 N SER A 417 -2.416 -31.484 6.958 1.00 0.00 N ATOM 691 CA SER A 417 -3.115 -31.323 5.688 1.00 0.00 C ATOM 692 C SER A 417 -3.667 -29.891 5.617 1.00 0.00 C ATOM 693 O SER A 417 -3.578 -29.236 4.581 1.00 0.00 O ATOM 694 CB SER A 417 -4.230 -32.371 5.577 1.00 0.00 C ATOM 695 OG SER A 417 -4.994 -32.186 4.404 1.00 0.00 O ATOM 0 H SER A 417 -2.769 -32.253 7.528 1.00 0.00 H new ATOM 0 HA SER A 417 -2.438 -31.478 4.848 1.00 0.00 H new ATOM 0 HB2 SER A 417 -3.794 -33.370 5.576 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.879 -32.308 6.450 1.00 0.00 H new ATOM 0 HG SER A 417 -5.696 -32.869 4.359 1.00 0.00 H new ATOM 701 N VAL A 418 -4.209 -29.407 6.745 1.00 0.00 N ATOM 702 CA VAL A 418 -4.752 -28.065 6.898 1.00 0.00 C ATOM 703 C VAL A 418 -3.655 -27.029 6.636 1.00 0.00 C ATOM 704 O VAL A 418 -3.843 -26.141 5.809 1.00 0.00 O ATOM 705 CB VAL A 418 -5.360 -27.906 8.304 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.833 -26.468 8.546 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.550 -28.856 8.494 1.00 0.00 C ATOM 0 H VAL A 418 -4.280 -29.963 7.597 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.546 -27.902 6.170 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.577 -28.151 9.021 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -6.257 -26.388 9.547 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.987 -25.787 8.455 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.591 -26.205 7.809 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.963 -28.726 9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -7.317 -28.631 7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -6.216 -29.886 8.370 1.00 0.00 H new ATOM 717 N MET A 419 -2.513 -27.144 7.331 1.00 0.00 N ATOM 718 CA MET A 419 -1.393 -26.223 7.154 1.00 0.00 C ATOM 719 C MET A 419 -0.969 -26.160 5.687 1.00 0.00 C ATOM 720 O MET A 419 -0.850 -25.077 5.124 1.00 0.00 O ATOM 721 CB MET A 419 -0.208 -26.662 8.018 1.00 0.00 C ATOM 722 CG MET A 419 -0.356 -26.256 9.484 1.00 0.00 C ATOM 723 SD MET A 419 -0.019 -24.501 9.777 1.00 0.00 S ATOM 724 CE MET A 419 0.107 -24.527 11.576 1.00 0.00 C ATOM 0 H MET A 419 -2.346 -27.873 8.024 1.00 0.00 H new ATOM 0 HA MET A 419 -1.716 -25.230 7.465 1.00 0.00 H new ATOM 0 HB2 MET A 419 -0.101 -27.745 7.956 1.00 0.00 H new ATOM 0 HB3 MET A 419 0.708 -26.228 7.617 1.00 0.00 H new ATOM 0 HG2 MET A 419 -1.368 -26.485 9.817 1.00 0.00 H new ATOM 0 HG3 MET A 419 0.323 -26.856 10.090 1.00 0.00 H new ATOM 0 HE1 MET A 419 0.314 -23.521 11.941 1.00 0.00 H new ATOM 0 HE2 MET A 419 -0.832 -24.881 12.001 1.00 0.00 H new ATOM 0 HE3 MET A 419 0.915 -25.195 11.875 1.00 0.00 H new ATOM 734 N LEU A 420 -0.745 -27.325 5.071 1.00 0.00 N ATOM 735 CA LEU A 420 -0.341 -27.441 3.676 1.00 0.00 C ATOM 736 C LEU A 420 -1.348 -26.721 2.773 1.00 0.00 C ATOM 737 O LEU A 420 -0.965 -25.888 1.952 1.00 0.00 O ATOM 738 CB LEU A 420 -0.202 -28.930 3.318 1.00 0.00 C ATOM 739 CG LEU A 420 1.042 -29.549 3.974 1.00 0.00 C ATOM 740 CD1 LEU A 420 0.911 -31.063 4.170 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.281 -29.294 3.113 1.00 0.00 C ATOM 0 H LEU A 420 -0.842 -28.226 5.540 1.00 0.00 H new ATOM 0 HA LEU A 420 0.626 -26.961 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -1.092 -29.469 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 420 -0.138 -29.041 2.236 1.00 0.00 H new ATOM 0 HG LEU A 420 1.139 -29.075 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 420 1.817 -31.449 4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.055 -31.274 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 420 0.768 -31.544 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.154 -29.738 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.139 -29.741 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.434 -28.220 3.005 1.00 0.00 H new ATOM 753 N LYS A 421 -2.633 -27.038 2.945 1.00 0.00 N ATOM 754 CA LYS A 421 -3.744 -26.459 2.207 1.00 0.00 C ATOM 755 C LYS A 421 -3.741 -24.928 2.286 1.00 0.00 C ATOM 756 O LYS A 421 -3.656 -24.256 1.257 1.00 0.00 O ATOM 757 CB LYS A 421 -5.047 -27.062 2.765 1.00 0.00 C ATOM 758 CG LYS A 421 -6.357 -26.302 2.509 1.00 0.00 C ATOM 759 CD LYS A 421 -7.024 -26.595 1.167 1.00 0.00 C ATOM 760 CE LYS A 421 -6.373 -25.970 -0.069 1.00 0.00 C ATOM 761 NZ LYS A 421 -7.164 -26.262 -1.284 1.00 0.00 N ATOM 0 H LYS A 421 -2.934 -27.732 3.629 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.652 -26.699 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -5.156 -28.065 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.930 -27.173 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -7.060 -26.542 3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -6.157 -25.232 2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -7.052 -27.676 1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -8.058 -26.253 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -6.289 -24.892 0.065 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -5.361 -26.357 -0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -6.704 -25.829 -2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.223 -27.291 -1.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -8.122 -25.872 -1.177 1.00 0.00 H new ATOM 775 N ASP A 422 -3.866 -24.373 3.499 1.00 0.00 N ATOM 776 CA ASP A 422 -3.940 -22.931 3.685 1.00 0.00 C ATOM 777 C ASP A 422 -2.654 -22.215 3.262 1.00 0.00 C ATOM 778 O ASP A 422 -2.726 -21.143 2.667 1.00 0.00 O ATOM 779 CB ASP A 422 -4.449 -22.566 5.085 1.00 0.00 C ATOM 780 CG ASP A 422 -3.373 -22.559 6.158 1.00 0.00 C ATOM 781 OD1 ASP A 422 -2.554 -21.617 6.106 1.00 0.00 O ATOM 782 OD2 ASP A 422 -3.443 -23.422 7.059 1.00 0.00 O ATOM 0 H ASP A 422 -3.918 -24.910 4.365 1.00 0.00 H new ATOM 0 HA ASP A 422 -4.694 -22.546 2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -4.913 -21.580 5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -5.227 -23.273 5.372 1.00 0.00 H new ATOM 787 N ARG A 423 -1.480 -22.796 3.533 1.00 0.00 N ATOM 788 CA ARG A 423 -0.215 -22.195 3.133 1.00 0.00 C ATOM 789 C ARG A 423 -0.151 -22.107 1.613 1.00 0.00 C ATOM 790 O ARG A 423 0.217 -21.057 1.084 1.00 0.00 O ATOM 791 CB ARG A 423 0.973 -22.932 3.750 1.00 0.00 C ATOM 792 CG ARG A 423 2.212 -22.037 3.641 1.00 0.00 C ATOM 793 CD ARG A 423 2.980 -22.217 2.335 1.00 0.00 C ATOM 794 NE ARG A 423 3.970 -21.154 2.218 1.00 0.00 N ATOM 795 CZ ARG A 423 3.761 -19.885 1.834 1.00 0.00 C ATOM 796 NH1 ARG A 423 2.531 -19.456 1.521 1.00 0.00 N ATOM 797 NH2 ARG A 423 4.802 -19.048 1.753 1.00 0.00 N ATOM 0 H ARG A 423 -1.386 -23.683 4.028 1.00 0.00 H new ATOM 0 HA ARG A 423 -0.155 -21.178 3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 423 0.769 -23.171 4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.142 -23.877 3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 423 1.907 -20.995 3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 423 2.878 -22.249 4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 423 3.469 -23.191 2.317 1.00 0.00 H new ATOM 0 HD3 ARG A 423 2.295 -22.188 1.488 1.00 0.00 H new ATOM 0 HE ARG A 423 4.931 -21.403 2.455 1.00 0.00 H new ATOM 0 HH11 ARG A 423 1.739 -20.096 1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 423 2.387 -18.489 1.231 1.00 0.00 H new ATOM 0 HH21 ARG A 423 5.740 -19.377 1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 423 4.657 -18.081 1.463 1.00 0.00 H new ATOM 811 N TRP A 424 -0.508 -23.186 0.903 1.00 0.00 N ATOM 812 CA TRP A 424 -0.494 -23.187 -0.544 1.00 0.00 C ATOM 813 C TRP A 424 -1.460 -22.134 -1.079 1.00 0.00 C ATOM 814 O TRP A 424 -1.129 -21.410 -2.015 1.00 0.00 O ATOM 815 CB TRP A 424 -0.845 -24.578 -1.054 1.00 0.00 C ATOM 816 CG TRP A 424 -0.609 -24.749 -2.514 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.562 -24.826 -3.465 1.00 0.00 C ATOM 818 CD2 TRP A 424 0.662 -24.866 -3.208 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.973 -24.995 -4.700 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.400 -25.025 -4.597 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.013 -24.857 -2.804 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.423 -25.169 -5.538 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.050 -24.995 -3.743 1.00 0.00 C ATOM 824 CH2 TRP A 424 2.757 -25.149 -5.110 1.00 0.00 C ATOM 0 H TRP A 424 -0.809 -24.067 1.321 1.00 0.00 H new ATOM 0 HA TRP A 424 0.503 -22.933 -0.903 1.00 0.00 H new ATOM 0 HB2 TRP A 424 -0.256 -25.316 -0.509 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.893 -24.783 -0.836 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.625 -24.765 -3.286 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -1.487 -25.086 -5.576 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.255 -24.742 -1.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 1.188 -25.294 -6.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.078 -24.983 -3.413 1.00 0.00 H new ATOM 0 HH2 TRP A 424 3.558 -25.252 -5.827 1.00 0.00 H new ATOM 835 N ARG A 425 -2.646 -22.038 -0.463 1.00 0.00 N ATOM 836 CA ARG A 425 -3.654 -21.051 -0.821 1.00 0.00 C ATOM 837 C ARG A 425 -3.043 -19.651 -0.693 1.00 0.00 C ATOM 838 O ARG A 425 -3.142 -18.852 -1.621 1.00 0.00 O ATOM 839 CB ARG A 425 -4.888 -21.248 0.069 1.00 0.00 C ATOM 840 CG ARG A 425 -6.004 -20.234 -0.211 1.00 0.00 C ATOM 841 CD ARG A 425 -7.223 -20.515 0.675 1.00 0.00 C ATOM 842 NE ARG A 425 -6.904 -20.390 2.107 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.783 -20.594 3.102 1.00 0.00 C ATOM 844 NH1 ARG A 425 -9.046 -20.932 2.825 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.410 -20.453 4.380 1.00 0.00 N ATOM 0 H ARG A 425 -2.928 -22.651 0.302 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.980 -21.172 -1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -5.277 -22.256 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -4.590 -21.171 1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.639 -19.223 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -6.292 -20.283 -1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -8.024 -19.821 0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -7.595 -21.520 0.473 1.00 0.00 H new ATOM 0 HE ARG A 425 -5.951 -20.131 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -9.345 -21.036 1.855 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.711 -21.086 3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -6.451 -20.188 4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -8.085 -20.610 5.129 1.00 0.00 H new ATOM 859 N THR A 426 -2.390 -19.361 0.441 1.00 0.00 N ATOM 860 CA THR A 426 -1.732 -18.082 0.674 1.00 0.00 C ATOM 861 C THR A 426 -0.670 -17.831 -0.400 1.00 0.00 C ATOM 862 O THR A 426 -0.568 -16.722 -0.914 1.00 0.00 O ATOM 863 CB THR A 426 -1.121 -18.031 2.083 1.00 0.00 C ATOM 864 OG1 THR A 426 -2.135 -18.159 3.057 1.00 0.00 O ATOM 865 CG2 THR A 426 -0.394 -16.704 2.307 1.00 0.00 C ATOM 0 H THR A 426 -2.307 -20.014 1.221 1.00 0.00 H new ATOM 0 HA THR A 426 -2.477 -17.289 0.609 1.00 0.00 H new ATOM 0 HB THR A 426 -0.412 -18.854 2.172 1.00 0.00 H new ATOM 0 HG1 THR A 426 -2.458 -19.084 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 426 0.032 -16.687 3.310 1.00 0.00 H new ATOM 0 HG22 THR A 426 0.404 -16.598 1.572 1.00 0.00 H new ATOM 0 HG23 THR A 426 -1.099 -15.880 2.198 1.00 0.00 H new ATOM 873 N MET A 427 0.122 -18.851 -0.749 1.00 0.00 N ATOM 874 CA MET A 427 1.157 -18.721 -1.763 1.00 0.00 C ATOM 875 C MET A 427 0.525 -18.294 -3.095 1.00 0.00 C ATOM 876 O MET A 427 0.932 -17.305 -3.703 1.00 0.00 O ATOM 877 CB MET A 427 1.947 -20.038 -1.875 1.00 0.00 C ATOM 878 CG MET A 427 3.403 -19.772 -2.272 1.00 0.00 C ATOM 879 SD MET A 427 4.453 -21.230 -2.493 1.00 0.00 S ATOM 880 CE MET A 427 3.762 -21.844 -4.044 1.00 0.00 C ATOM 0 H MET A 427 0.059 -19.781 -0.336 1.00 0.00 H new ATOM 0 HA MET A 427 1.868 -17.945 -1.479 1.00 0.00 H new ATOM 0 HB2 MET A 427 1.917 -20.567 -0.922 1.00 0.00 H new ATOM 0 HB3 MET A 427 1.477 -20.686 -2.614 1.00 0.00 H new ATOM 0 HG2 MET A 427 3.406 -19.204 -3.202 1.00 0.00 H new ATOM 0 HG3 MET A 427 3.855 -19.137 -1.510 1.00 0.00 H new ATOM 0 HE1 MET A 427 4.386 -22.652 -4.426 1.00 0.00 H new ATOM 0 HE2 MET A 427 2.752 -22.217 -3.870 1.00 0.00 H new ATOM 0 HE3 MET A 427 3.730 -21.035 -4.773 1.00 0.00 H new ATOM 890 N LYS A 428 -0.489 -19.038 -3.545 1.00 0.00 N ATOM 891 CA LYS A 428 -1.210 -18.771 -4.782 1.00 0.00 C ATOM 892 C LYS A 428 -1.963 -17.434 -4.760 1.00 0.00 C ATOM 893 O LYS A 428 -2.181 -16.876 -5.832 1.00 0.00 O ATOM 894 CB LYS A 428 -2.220 -19.903 -5.030 1.00 0.00 C ATOM 895 CG LYS A 428 -1.522 -21.058 -5.742 1.00 0.00 C ATOM 896 CD LYS A 428 -2.382 -22.316 -5.890 1.00 0.00 C ATOM 897 CE LYS A 428 -3.639 -22.088 -6.736 1.00 0.00 C ATOM 898 NZ LYS A 428 -4.232 -23.370 -7.170 1.00 0.00 N ATOM 0 H LYS A 428 -0.835 -19.858 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 428 -0.469 -18.716 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -2.639 -20.245 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -3.051 -19.538 -5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -1.212 -20.725 -6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -0.616 -21.314 -5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -1.784 -23.106 -6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -2.676 -22.667 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -4.371 -21.523 -6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -3.388 -21.486 -7.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -5.091 -23.185 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -3.546 -23.890 -7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -4.477 -23.940 -6.335 1.00 0.00 H new ATOM 912 N LYS A 429 -2.361 -16.937 -3.572 1.00 0.00 N ATOM 913 CA LYS A 429 -3.104 -15.688 -3.355 1.00 0.00 C ATOM 914 C LYS A 429 -2.669 -14.581 -4.313 1.00 0.00 C ATOM 915 O LYS A 429 -3.514 -13.890 -4.878 1.00 0.00 O ATOM 916 CB LYS A 429 -2.928 -15.209 -1.908 1.00 0.00 C ATOM 917 CG LYS A 429 -3.916 -14.103 -1.503 1.00 0.00 C ATOM 918 CD LYS A 429 -3.477 -13.445 -0.183 1.00 0.00 C ATOM 919 CE LYS A 429 -2.443 -12.327 -0.397 1.00 0.00 C ATOM 920 NZ LYS A 429 -3.069 -11.069 -0.848 1.00 0.00 N ATOM 0 H LYS A 429 -2.161 -17.422 -2.697 1.00 0.00 H new ATOM 0 HA LYS A 429 -4.154 -15.905 -3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -3.050 -16.058 -1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.910 -14.842 -1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -3.972 -13.351 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -4.916 -14.523 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -4.351 -13.035 0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -3.055 -14.205 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -1.904 -12.150 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -1.708 -12.650 -1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -2.335 -10.344 -0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -3.562 -11.230 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -3.752 -10.745 -0.133 1.00 0.00 H new