USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=15 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 397 LYS NZ :NH3+ -175:sc= 0.882 (180deg=0) USER MOD Set 1.2: A 398 TYR OH : rot 141:sc= 0.127 USER MOD Set 1.3: A 409 HIS : no HE2:sc= -0.732 K(o=1,f=-0.34) USER MOD Set 1.4: A 410 TYR OH : rot -59:sc= 0.766 USER MOD Set 2.1: A 381 GLN : amide:sc= 0.0107 K(o=0.14,f=-5.4!) USER MOD Set 2.2: A 413 ASN : amide:sc= 0.13 K(o=0.14,f=-0.97) USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 ASN : amide:sc=-0.00846 K(o=-0.0085,f=-1.6) USER MOD Single : A 393 SER OG : rot 76:sc= 0.937 USER MOD Single : A 402 ASN : amide:sc= 1.22 K(o=1.2,f=-1.2) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0844) USER MOD Single : A 411 LYS NZ :NH3+ -158:sc= 2.37 (180deg=1.59) USER MOD Single : A 414 ASN : amide:sc= 0.42 X(o=0.42,f=-0.016) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.328 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+ 163:sc= 0 (180deg=-0.494) USER MOD Single : A 426 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 427 MET CE :methyl 167:sc= 0 (180deg=-0.144) USER MOD Single : A 428 LYS NZ :NH3+ 153:sc= 1.05 (180deg=-0.351!) USER MOD Single : A 429 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.804 -20.610 14.036 1.00 0.00 N ATOM 72 CA GLN A 381 6.837 -21.396 13.391 1.00 0.00 C ATOM 73 C GLN A 381 6.920 -21.037 11.908 1.00 0.00 C ATOM 74 O GLN A 381 6.339 -21.722 11.061 1.00 0.00 O ATOM 75 CB GLN A 381 6.522 -22.881 13.601 1.00 0.00 C ATOM 76 CG GLN A 381 7.652 -23.792 13.114 1.00 0.00 C ATOM 77 CD GLN A 381 7.189 -25.242 13.124 1.00 0.00 C ATOM 78 OE1 GLN A 381 6.749 -25.753 12.099 1.00 0.00 O ATOM 79 NE2 GLN A 381 7.279 -25.910 14.273 1.00 0.00 N ATOM 0 HA GLN A 381 7.811 -21.180 13.829 1.00 0.00 H new ATOM 0 HB2 GLN A 381 6.342 -23.065 14.660 1.00 0.00 H new ATOM 0 HB3 GLN A 381 5.603 -23.133 13.072 1.00 0.00 H new ATOM 0 HG2 GLN A 381 7.954 -23.505 12.107 1.00 0.00 H new ATOM 0 HG3 GLN A 381 8.526 -23.676 13.755 1.00 0.00 H new ATOM 0 HE21 GLN A 381 7.651 -25.449 15.103 1.00 0.00 H new ATOM 0 HE22 GLN A 381 6.976 -26.883 14.322 1.00 0.00 H new ATOM 88 N ALA A 382 7.662 -19.968 11.601 1.00 0.00 N ATOM 89 CA ALA A 382 7.878 -19.511 10.236 1.00 0.00 C ATOM 90 C ALA A 382 8.437 -20.664 9.398 1.00 0.00 C ATOM 91 O ALA A 382 9.244 -21.457 9.884 1.00 0.00 O ATOM 92 CB ALA A 382 8.831 -18.313 10.236 1.00 0.00 C ATOM 0 H ALA A 382 8.131 -19.395 12.303 1.00 0.00 H new ATOM 0 HA ALA A 382 6.933 -19.191 9.797 1.00 0.00 H new ATOM 0 HB1 ALA A 382 8.990 -17.974 9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 382 8.398 -17.503 10.823 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.785 -18.607 10.673 1.00 0.00 H new ATOM 98 N TRP A 383 7.986 -20.768 8.146 1.00 0.00 N ATOM 99 CA TRP A 383 8.400 -21.837 7.254 1.00 0.00 C ATOM 100 C TRP A 383 9.868 -21.710 6.846 1.00 0.00 C ATOM 101 O TRP A 383 10.400 -20.607 6.735 1.00 0.00 O ATOM 102 CB TRP A 383 7.459 -21.900 6.051 1.00 0.00 C ATOM 103 CG TRP A 383 6.122 -22.522 6.328 1.00 0.00 C ATOM 104 CD1 TRP A 383 5.224 -22.126 7.259 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.516 -23.668 5.664 1.00 0.00 C ATOM 106 NE1 TRP A 383 4.113 -22.944 7.225 1.00 0.00 N ATOM 107 CE2 TRP A 383 4.242 -23.917 6.256 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.915 -24.523 4.615 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.414 -24.966 5.827 1.00 0.00 C ATOM 110 CZ3 TRP A 383 5.092 -25.576 4.183 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.844 -25.798 4.788 1.00 0.00 C ATOM 0 H TRP A 383 7.325 -20.112 7.729 1.00 0.00 H new ATOM 0 HA TRP A 383 8.328 -22.784 7.789 1.00 0.00 H new ATOM 0 HB2 TRP A 383 7.302 -20.888 5.677 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.947 -22.462 5.255 1.00 0.00 H new ATOM 0 HD1 TRP A 383 5.357 -21.291 7.931 1.00 0.00 H new ATOM 0 HE1 TRP A 383 3.303 -22.842 7.836 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.870 -24.365 4.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.454 -25.129 6.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.421 -26.219 3.380 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.217 -26.610 4.451 1.00 0.00 H new ATOM 122 N LEU A 384 10.506 -22.867 6.640 1.00 0.00 N ATOM 123 CA LEU A 384 11.909 -23.000 6.264 1.00 0.00 C ATOM 124 C LEU A 384 12.024 -23.386 4.786 1.00 0.00 C ATOM 125 O LEU A 384 11.022 -23.740 4.163 1.00 0.00 O ATOM 126 CB LEU A 384 12.564 -24.075 7.144 1.00 0.00 C ATOM 127 CG LEU A 384 12.354 -23.876 8.656 1.00 0.00 C ATOM 128 CD1 LEU A 384 13.010 -25.041 9.406 1.00 0.00 C ATOM 129 CD2 LEU A 384 12.943 -22.548 9.146 1.00 0.00 C ATOM 0 H LEU A 384 10.038 -23.768 6.735 1.00 0.00 H new ATOM 0 HA LEU A 384 12.418 -22.048 6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.168 -25.050 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 384 13.634 -24.093 6.938 1.00 0.00 H new ATOM 0 HG LEU A 384 11.282 -23.850 8.852 1.00 0.00 H new ATOM 0 HD11 LEU A 384 12.867 -24.910 10.479 1.00 0.00 H new ATOM 0 HD12 LEU A 384 12.554 -25.979 9.091 1.00 0.00 H new ATOM 0 HD13 LEU A 384 14.077 -25.063 9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 384 12.773 -22.448 10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 384 14.014 -22.529 8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 384 12.461 -21.722 8.623 1.00 0.00 H new ATOM 141 N TRP A 385 13.247 -23.334 4.227 1.00 0.00 N ATOM 142 CA TRP A 385 13.471 -23.697 2.828 1.00 0.00 C ATOM 143 C TRP A 385 12.944 -25.086 2.616 1.00 0.00 C ATOM 144 O TRP A 385 12.052 -25.268 1.818 1.00 0.00 O ATOM 145 CB TRP A 385 14.940 -23.739 2.386 1.00 0.00 C ATOM 146 CG TRP A 385 15.855 -22.945 3.216 1.00 0.00 C ATOM 147 CD1 TRP A 385 16.076 -21.647 3.020 1.00 0.00 C ATOM 148 CD2 TRP A 385 16.656 -23.348 4.350 1.00 0.00 C ATOM 149 NE1 TRP A 385 16.977 -21.181 3.961 1.00 0.00 N ATOM 150 CE2 TRP A 385 17.368 -22.205 4.814 1.00 0.00 C ATOM 151 CE3 TRP A 385 16.843 -24.569 5.026 1.00 0.00 C ATOM 152 CZ2 TRP A 385 18.236 -22.277 5.913 1.00 0.00 C ATOM 153 CZ3 TRP A 385 17.710 -24.649 6.130 1.00 0.00 C ATOM 154 CH2 TRP A 385 18.406 -23.507 6.573 1.00 0.00 C ATOM 0 H TRP A 385 14.088 -23.044 4.726 1.00 0.00 H new ATOM 0 HA TRP A 385 12.972 -22.921 2.247 1.00 0.00 H new ATOM 0 HB2 TRP A 385 15.276 -24.776 2.389 1.00 0.00 H new ATOM 0 HB3 TRP A 385 15.006 -23.385 1.357 1.00 0.00 H new ATOM 0 HD1 TRP A 385 15.621 -21.049 2.244 1.00 0.00 H new ATOM 0 HE1 TRP A 385 17.308 -20.218 4.020 1.00 0.00 H new ATOM 0 HE3 TRP A 385 16.316 -25.451 4.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 18.767 -21.399 6.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 17.843 -25.591 6.641 1.00 0.00 H new ATOM 0 HH2 TRP A 385 19.071 -23.576 7.421 1.00 0.00 H new ATOM 165 N GLU A 386 13.518 -26.047 3.334 1.00 0.00 N ATOM 166 CA GLU A 386 13.152 -27.449 3.240 1.00 0.00 C ATOM 167 C GLU A 386 11.641 -27.636 3.095 1.00 0.00 C ATOM 168 O GLU A 386 11.207 -28.382 2.224 1.00 0.00 O ATOM 169 CB GLU A 386 13.779 -28.241 4.394 1.00 0.00 C ATOM 170 CG GLU A 386 13.378 -27.725 5.782 1.00 0.00 C ATOM 171 CD GLU A 386 14.239 -28.367 6.863 1.00 0.00 C ATOM 172 OE1 GLU A 386 14.095 -29.595 7.047 1.00 0.00 O ATOM 173 OE2 GLU A 386 15.042 -27.621 7.464 1.00 0.00 O ATOM 0 H GLU A 386 14.262 -25.866 4.007 1.00 0.00 H new ATOM 0 HA GLU A 386 13.568 -27.864 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 386 13.487 -29.287 4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 386 14.864 -28.204 4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 386 13.488 -26.641 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 386 12.327 -27.946 5.968 1.00 0.00 H new ATOM 180 N GLU A 387 10.844 -26.933 3.903 1.00 0.00 N ATOM 181 CA GLU A 387 9.398 -26.994 3.820 1.00 0.00 C ATOM 182 C GLU A 387 8.904 -26.442 2.473 1.00 0.00 C ATOM 183 O GLU A 387 8.257 -27.168 1.720 1.00 0.00 O ATOM 184 CB GLU A 387 8.788 -26.273 5.024 1.00 0.00 C ATOM 185 CG GLU A 387 9.290 -26.871 6.344 1.00 0.00 C ATOM 186 CD GLU A 387 8.401 -26.448 7.501 1.00 0.00 C ATOM 187 OE1 GLU A 387 8.402 -25.239 7.821 1.00 0.00 O ATOM 188 OE2 GLU A 387 7.692 -27.332 8.031 1.00 0.00 O ATOM 0 H GLU A 387 11.191 -26.308 4.630 1.00 0.00 H new ATOM 0 HA GLU A 387 9.068 -28.032 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 387 9.041 -25.214 4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.701 -26.343 4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.308 -27.958 6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.314 -26.547 6.529 1.00 0.00 H new ATOM 195 N ASP A 388 9.206 -25.175 2.152 1.00 0.00 N ATOM 196 CA ASP A 388 8.816 -24.536 0.891 1.00 0.00 C ATOM 197 C ASP A 388 9.251 -25.377 -0.315 1.00 0.00 C ATOM 198 O ASP A 388 8.439 -25.775 -1.145 1.00 0.00 O ATOM 199 CB ASP A 388 9.464 -23.145 0.788 1.00 0.00 C ATOM 200 CG ASP A 388 8.643 -22.078 1.491 1.00 0.00 C ATOM 201 OD1 ASP A 388 8.831 -21.883 2.708 1.00 0.00 O ATOM 202 OD2 ASP A 388 7.793 -21.473 0.804 1.00 0.00 O ATOM 0 H ASP A 388 9.735 -24.560 2.770 1.00 0.00 H new ATOM 0 HA ASP A 388 7.730 -24.447 0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 388 10.463 -23.178 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 388 9.582 -22.878 -0.262 1.00 0.00 H new ATOM 207 N LYS A 389 10.555 -25.632 -0.381 1.00 0.00 N ATOM 208 CA LYS A 389 11.311 -26.395 -1.349 1.00 0.00 C ATOM 209 C LYS A 389 10.621 -27.747 -1.591 1.00 0.00 C ATOM 210 O LYS A 389 10.329 -28.094 -2.738 1.00 0.00 O ATOM 211 CB LYS A 389 12.754 -26.500 -0.787 1.00 0.00 C ATOM 212 CG LYS A 389 13.703 -27.273 -1.708 1.00 0.00 C ATOM 213 CD LYS A 389 15.052 -27.457 -1.001 1.00 0.00 C ATOM 214 CE LYS A 389 16.018 -28.279 -1.862 1.00 0.00 C ATOM 215 NZ LYS A 389 17.294 -28.525 -1.162 1.00 0.00 N ATOM 0 H LYS A 389 11.176 -25.258 0.337 1.00 0.00 H new ATOM 0 HA LYS A 389 11.358 -25.924 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 389 13.149 -25.497 -0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.724 -26.989 0.187 1.00 0.00 H new ATOM 0 HG2 LYS A 389 13.275 -28.243 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 389 13.840 -26.733 -2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 389 15.490 -26.482 -0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.899 -27.955 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 389 15.555 -29.231 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 389 16.211 -27.753 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 17.923 -29.084 -1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 17.747 -27.616 -0.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 17.112 -29.049 -0.282 1.00 0.00 H new ATOM 229 N ASN A 390 10.351 -28.504 -0.520 1.00 0.00 N ATOM 230 CA ASN A 390 9.695 -29.806 -0.598 1.00 0.00 C ATOM 231 C ASN A 390 8.270 -29.688 -1.130 1.00 0.00 C ATOM 232 O ASN A 390 7.907 -30.418 -2.051 1.00 0.00 O ATOM 233 CB ASN A 390 9.667 -30.491 0.773 1.00 0.00 C ATOM 234 CG ASN A 390 11.024 -31.061 1.191 1.00 0.00 C ATOM 235 OD1 ASN A 390 12.011 -30.952 0.467 1.00 0.00 O ATOM 236 ND2 ASN A 390 11.081 -31.693 2.361 1.00 0.00 N ATOM 0 H ASN A 390 10.586 -28.223 0.432 1.00 0.00 H new ATOM 0 HA ASN A 390 10.278 -30.411 -1.292 1.00 0.00 H new ATOM 0 HB2 ASN A 390 9.335 -29.774 1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 390 8.932 -31.296 0.755 1.00 0.00 H new ATOM 0 HD21 ASN A 390 11.960 -32.102 2.677 1.00 0.00 H new ATOM 0 HD22 ASN A 390 10.246 -31.768 2.941 1.00 0.00 H new ATOM 243 N LEU A 391 7.465 -28.784 -0.557 1.00 0.00 N ATOM 244 CA LEU A 391 6.082 -28.567 -0.965 1.00 0.00 C ATOM 245 C LEU A 391 6.023 -28.277 -2.463 1.00 0.00 C ATOM 246 O LEU A 391 5.251 -28.901 -3.188 1.00 0.00 O ATOM 247 CB LEU A 391 5.475 -27.427 -0.132 1.00 0.00 C ATOM 248 CG LEU A 391 4.044 -27.040 -0.528 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.067 -28.215 -0.419 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.568 -25.885 0.364 1.00 0.00 C ATOM 0 H LEU A 391 7.763 -28.180 0.209 1.00 0.00 H new ATOM 0 HA LEU A 391 5.492 -29.465 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.481 -27.719 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.114 -26.548 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 391 4.061 -26.734 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.069 -27.887 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.391 -29.020 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.044 -28.575 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.551 -25.606 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.586 -26.200 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 391 4.228 -25.028 0.232 1.00 0.00 H new ATOM 262 N ARG A 392 6.854 -27.337 -2.918 1.00 0.00 N ATOM 263 CA ARG A 392 6.957 -26.939 -4.308 1.00 0.00 C ATOM 264 C ARG A 392 7.265 -28.152 -5.180 1.00 0.00 C ATOM 265 O ARG A 392 6.566 -28.384 -6.161 1.00 0.00 O ATOM 266 CB ARG A 392 8.014 -25.836 -4.435 1.00 0.00 C ATOM 267 CG ARG A 392 8.134 -25.312 -5.871 1.00 0.00 C ATOM 268 CD ARG A 392 9.051 -24.087 -5.917 1.00 0.00 C ATOM 269 NE ARG A 392 10.403 -24.414 -5.441 1.00 0.00 N ATOM 270 CZ ARG A 392 11.339 -23.514 -5.100 1.00 0.00 C ATOM 271 NH1 ARG A 392 11.098 -22.202 -5.223 1.00 0.00 N ATOM 272 NH2 ARG A 392 12.523 -23.933 -4.635 1.00 0.00 N ATOM 0 H ARG A 392 7.488 -26.822 -2.306 1.00 0.00 H new ATOM 0 HA ARG A 392 6.008 -26.534 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 392 7.758 -25.012 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.980 -26.221 -4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 392 8.529 -26.095 -6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 392 7.147 -25.050 -6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 392 9.104 -23.708 -6.938 1.00 0.00 H new ATOM 0 HD3 ARG A 392 8.629 -23.291 -5.303 1.00 0.00 H new ATOM 0 HE ARG A 392 10.649 -25.401 -5.364 1.00 0.00 H new ATOM 0 HH11 ARG A 392 10.198 -21.880 -5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 392 11.815 -21.525 -4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 392 12.710 -24.931 -4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 392 13.238 -23.254 -4.374 1.00 0.00 H new ATOM 286 N SER A 393 8.292 -28.930 -4.821 1.00 0.00 N ATOM 287 CA SER A 393 8.663 -30.125 -5.570 1.00 0.00 C ATOM 288 C SER A 393 7.476 -31.091 -5.675 1.00 0.00 C ATOM 289 O SER A 393 7.145 -31.563 -6.764 1.00 0.00 O ATOM 290 CB SER A 393 9.865 -30.803 -4.902 1.00 0.00 C ATOM 291 OG SER A 393 10.957 -29.911 -4.825 1.00 0.00 O ATOM 0 H SER A 393 8.882 -28.747 -4.009 1.00 0.00 H new ATOM 0 HA SER A 393 8.944 -29.835 -6.582 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.591 -31.139 -3.902 1.00 0.00 H new ATOM 0 HB3 SER A 393 10.151 -31.689 -5.468 1.00 0.00 H new ATOM 0 HG SER A 393 10.801 -29.264 -4.106 1.00 0.00 H new ATOM 297 N GLY A 394 6.839 -31.382 -4.538 1.00 0.00 N ATOM 298 CA GLY A 394 5.701 -32.277 -4.446 1.00 0.00 C ATOM 299 C GLY A 394 4.556 -31.846 -5.356 1.00 0.00 C ATOM 300 O GLY A 394 4.134 -32.624 -6.208 1.00 0.00 O ATOM 0 H GLY A 394 7.113 -30.988 -3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 394 6.013 -33.287 -4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.350 -32.312 -3.415 1.00 0.00 H new ATOM 304 N VAL A 395 4.056 -30.618 -5.186 1.00 0.00 N ATOM 305 CA VAL A 395 2.958 -30.117 -6.000 1.00 0.00 C ATOM 306 C VAL A 395 3.350 -30.066 -7.476 1.00 0.00 C ATOM 307 O VAL A 395 2.549 -30.433 -8.330 1.00 0.00 O ATOM 308 CB VAL A 395 2.446 -28.757 -5.499 1.00 0.00 C ATOM 309 CG1 VAL A 395 1.310 -28.266 -6.407 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.897 -28.860 -4.070 1.00 0.00 C ATOM 0 H VAL A 395 4.399 -29.956 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 395 2.130 -30.819 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 395 3.286 -28.063 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.949 -27.302 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.680 -28.159 -7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.493 -28.988 -6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.543 -27.882 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 395 1.071 -29.571 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.687 -29.201 -3.401 1.00 0.00 H new ATOM 320 N ARG A 396 4.570 -29.624 -7.796 1.00 0.00 N ATOM 321 CA ARG A 396 5.022 -29.544 -9.179 1.00 0.00 C ATOM 322 C ARG A 396 4.951 -30.913 -9.863 1.00 0.00 C ATOM 323 O ARG A 396 4.565 -30.999 -11.026 1.00 0.00 O ATOM 324 CB ARG A 396 6.443 -28.960 -9.236 1.00 0.00 C ATOM 325 CG ARG A 396 6.918 -28.614 -10.655 1.00 0.00 C ATOM 326 CD ARG A 396 6.077 -27.484 -11.263 1.00 0.00 C ATOM 327 NE ARG A 396 6.691 -26.941 -12.483 1.00 0.00 N ATOM 328 CZ ARG A 396 6.269 -25.825 -13.101 1.00 0.00 C ATOM 329 NH1 ARG A 396 5.213 -25.154 -12.624 1.00 0.00 N ATOM 330 NH2 ARG A 396 6.903 -25.378 -14.193 1.00 0.00 N ATOM 0 H ARG A 396 5.260 -29.317 -7.111 1.00 0.00 H new ATOM 0 HA ARG A 396 4.356 -28.877 -9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 396 6.480 -28.060 -8.622 1.00 0.00 H new ATOM 0 HB3 ARG A 396 7.137 -29.676 -8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 396 7.966 -28.316 -10.628 1.00 0.00 H new ATOM 0 HG3 ARG A 396 6.855 -29.499 -11.288 1.00 0.00 H new ATOM 0 HD2 ARG A 396 5.079 -27.857 -11.494 1.00 0.00 H new ATOM 0 HD3 ARG A 396 5.957 -26.686 -10.530 1.00 0.00 H new ATOM 0 HE ARG A 396 7.484 -27.441 -12.884 1.00 0.00 H new ATOM 0 HH11 ARG A 396 4.729 -25.490 -11.791 1.00 0.00 H new ATOM 0 HH12 ARG A 396 4.893 -24.307 -13.093 1.00 0.00 H new ATOM 0 HH21 ARG A 396 7.709 -25.885 -14.558 1.00 0.00 H new ATOM 0 HH22 ARG A 396 6.580 -24.530 -14.659 1.00 0.00 H new ATOM 344 N LYS A 397 5.328 -31.978 -9.144 1.00 0.00 N ATOM 345 CA LYS A 397 5.328 -33.335 -9.673 1.00 0.00 C ATOM 346 C LYS A 397 3.942 -33.992 -9.703 1.00 0.00 C ATOM 347 O LYS A 397 3.543 -34.531 -10.732 1.00 0.00 O ATOM 348 CB LYS A 397 6.279 -34.202 -8.839 1.00 0.00 C ATOM 349 CG LYS A 397 7.748 -33.801 -9.022 1.00 0.00 C ATOM 350 CD LYS A 397 8.597 -34.563 -8.000 1.00 0.00 C ATOM 351 CE LYS A 397 10.044 -34.057 -7.983 1.00 0.00 C ATOM 352 NZ LYS A 397 10.828 -34.707 -6.915 1.00 0.00 N ATOM 0 H LYS A 397 5.642 -31.915 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 397 5.659 -33.263 -10.709 1.00 0.00 H new ATOM 0 HB2 LYS A 397 6.011 -34.120 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 397 6.153 -35.248 -9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 397 8.079 -34.031 -10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 397 7.866 -32.726 -8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 397 8.160 -34.452 -7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 397 8.585 -35.627 -8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 397 10.511 -34.251 -8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 397 10.052 -32.977 -7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 11.777 -34.283 -6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 10.349 -34.572 -6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 10.911 -35.724 -7.115 1.00 0.00 H new ATOM 366 N TYR A 398 3.238 -34.001 -8.566 1.00 0.00 N ATOM 367 CA TYR A 398 1.961 -34.694 -8.396 1.00 0.00 C ATOM 368 C TYR A 398 0.716 -33.848 -8.653 1.00 0.00 C ATOM 369 O TYR A 398 -0.308 -34.382 -9.076 1.00 0.00 O ATOM 370 CB TYR A 398 1.884 -35.248 -6.962 1.00 0.00 C ATOM 371 CG TYR A 398 3.180 -35.770 -6.363 1.00 0.00 C ATOM 372 CD1 TYR A 398 4.111 -36.486 -7.140 1.00 0.00 C ATOM 373 CD2 TYR A 398 3.455 -35.521 -5.007 1.00 0.00 C ATOM 374 CE1 TYR A 398 5.307 -36.944 -6.562 1.00 0.00 C ATOM 375 CE2 TYR A 398 4.647 -35.981 -4.427 1.00 0.00 C ATOM 376 CZ TYR A 398 5.576 -36.691 -5.206 1.00 0.00 C ATOM 377 OH TYR A 398 6.738 -37.136 -4.645 1.00 0.00 O ATOM 0 H TYR A 398 3.548 -33.517 -7.723 1.00 0.00 H new ATOM 0 HA TYR A 398 1.952 -35.477 -9.154 1.00 0.00 H new ATOM 0 HB2 TYR A 398 1.502 -34.460 -6.313 1.00 0.00 H new ATOM 0 HB3 TYR A 398 1.153 -36.056 -6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 398 3.905 -36.683 -8.182 1.00 0.00 H new ATOM 0 HD2 TYR A 398 2.744 -34.972 -4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 398 6.020 -37.491 -7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 398 4.850 -35.790 -3.384 1.00 0.00 H new ATOM 0 HH TYR A 398 7.084 -36.458 -4.028 1.00 0.00 H new ATOM 387 N GLY A 399 0.784 -32.547 -8.363 1.00 0.00 N ATOM 388 CA GLY A 399 -0.330 -31.615 -8.478 1.00 0.00 C ATOM 389 C GLY A 399 -0.853 -31.316 -7.073 1.00 0.00 C ATOM 390 O GLY A 399 -0.198 -31.651 -6.086 1.00 0.00 O ATOM 0 H GLY A 399 1.642 -32.104 -8.033 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.007 -30.696 -8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.121 -32.043 -9.094 1.00 0.00 H new ATOM 394 N GLU A 400 -2.028 -30.689 -6.972 1.00 0.00 N ATOM 395 CA GLU A 400 -2.662 -30.350 -5.701 1.00 0.00 C ATOM 396 C GLU A 400 -3.627 -31.469 -5.280 1.00 0.00 C ATOM 397 O GLU A 400 -3.750 -32.481 -5.969 1.00 0.00 O ATOM 398 CB GLU A 400 -3.341 -28.977 -5.833 1.00 0.00 C ATOM 399 CG GLU A 400 -2.279 -27.895 -6.085 1.00 0.00 C ATOM 400 CD GLU A 400 -2.853 -26.487 -6.175 1.00 0.00 C ATOM 401 OE1 GLU A 400 -3.802 -26.175 -5.423 1.00 0.00 O ATOM 402 OE2 GLU A 400 -2.307 -25.692 -6.974 1.00 0.00 O ATOM 0 H GLU A 400 -2.572 -30.399 -7.785 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.921 -30.271 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -4.059 -28.993 -6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.899 -28.748 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -1.542 -27.927 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -1.752 -28.124 -7.011 1.00 0.00 H new ATOM 409 N GLY A 401 -4.311 -31.299 -4.143 1.00 0.00 N ATOM 410 CA GLY A 401 -5.264 -32.276 -3.631 1.00 0.00 C ATOM 411 C GLY A 401 -4.622 -33.615 -3.262 1.00 0.00 C ATOM 412 O GLY A 401 -5.218 -34.668 -3.478 1.00 0.00 O ATOM 0 H GLY A 401 -4.215 -30.473 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.758 -31.864 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -6.037 -32.446 -4.381 1.00 0.00 H new ATOM 416 N ASN A 402 -3.412 -33.571 -2.697 1.00 0.00 N ATOM 417 CA ASN A 402 -2.654 -34.737 -2.243 1.00 0.00 C ATOM 418 C ASN A 402 -1.591 -34.274 -1.242 1.00 0.00 C ATOM 419 O ASN A 402 -0.448 -34.723 -1.252 1.00 0.00 O ATOM 420 CB ASN A 402 -2.092 -35.553 -3.420 1.00 0.00 C ATOM 421 CG ASN A 402 -1.016 -34.825 -4.215 1.00 0.00 C ATOM 422 OD1 ASN A 402 0.171 -35.099 -4.060 1.00 0.00 O ATOM 423 ND2 ASN A 402 -1.424 -33.913 -5.090 1.00 0.00 N ATOM 0 H ASN A 402 -2.918 -32.693 -2.538 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.316 -35.433 -1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -1.679 -36.487 -3.038 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -2.910 -35.817 -4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -0.742 -33.413 -5.661 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -2.419 -33.712 -5.191 1.00 0.00 H new ATOM 430 N TRP A 403 -1.993 -33.346 -0.369 1.00 0.00 N ATOM 431 CA TRP A 403 -1.154 -32.731 0.648 1.00 0.00 C ATOM 432 C TRP A 403 -0.595 -33.787 1.595 1.00 0.00 C ATOM 433 O TRP A 403 0.603 -33.794 1.867 1.00 0.00 O ATOM 434 CB TRP A 403 -1.951 -31.636 1.358 1.00 0.00 C ATOM 435 CG TRP A 403 -2.769 -30.798 0.424 1.00 0.00 C ATOM 436 CD1 TRP A 403 -4.097 -30.936 0.212 1.00 0.00 C ATOM 437 CD2 TRP A 403 -2.338 -29.709 -0.445 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.520 -30.018 -0.723 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.475 -29.233 -1.161 1.00 0.00 C ATOM 440 CE3 TRP A 403 -1.104 -29.076 -0.706 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -3.396 -28.181 -2.083 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -1.013 -28.016 -1.629 1.00 0.00 C ATOM 443 CH2 TRP A 403 -2.155 -27.570 -2.313 1.00 0.00 C ATOM 0 H TRP A 403 -2.950 -32.993 -0.356 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.286 -32.257 0.189 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.610 -32.096 2.094 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.262 -30.992 1.905 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.732 -31.659 0.703 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.482 -29.930 -1.049 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -0.216 -29.409 -0.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -4.278 -27.846 -2.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 -0.059 -27.544 -1.812 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -2.078 -26.755 -3.017 1.00 0.00 H new ATOM 454 N SER A 404 -1.451 -34.696 2.071 1.00 0.00 N ATOM 455 CA SER A 404 -1.041 -35.796 2.934 1.00 0.00 C ATOM 456 C SER A 404 0.042 -36.617 2.228 1.00 0.00 C ATOM 457 O SER A 404 1.055 -36.957 2.832 1.00 0.00 O ATOM 458 CB SER A 404 -2.255 -36.663 3.276 1.00 0.00 C ATOM 459 OG SER A 404 -1.866 -37.868 3.904 1.00 0.00 O ATOM 0 H SER A 404 -2.450 -34.685 1.865 1.00 0.00 H new ATOM 0 HA SER A 404 -0.629 -35.406 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.927 -36.109 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 404 -2.812 -36.888 2.366 1.00 0.00 H new ATOM 0 HG SER A 404 -2.662 -38.400 4.112 1.00 0.00 H new ATOM 465 N LYS A 405 -0.152 -36.926 0.940 1.00 0.00 N ATOM 466 CA LYS A 405 0.830 -37.687 0.183 1.00 0.00 C ATOM 467 C LYS A 405 2.161 -36.938 0.195 1.00 0.00 C ATOM 468 O LYS A 405 3.192 -37.528 0.491 1.00 0.00 O ATOM 469 CB LYS A 405 0.338 -38.008 -1.233 1.00 0.00 C ATOM 470 CG LYS A 405 -1.043 -38.672 -1.174 1.00 0.00 C ATOM 471 CD LYS A 405 -1.419 -39.317 -2.514 1.00 0.00 C ATOM 472 CE LYS A 405 -2.937 -39.501 -2.642 1.00 0.00 C ATOM 473 NZ LYS A 405 -3.514 -40.246 -1.506 1.00 0.00 N ATOM 0 H LYS A 405 -0.980 -36.658 0.408 1.00 0.00 H new ATOM 0 HA LYS A 405 0.980 -38.656 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.285 -37.094 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 405 1.047 -38.669 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -1.049 -39.430 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -1.793 -37.929 -0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -1.056 -38.696 -3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -0.925 -40.284 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -3.414 -38.523 -2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -3.159 -40.030 -3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -4.512 -40.461 -1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -2.989 -41.133 -1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -3.448 -39.669 -0.643 1.00 0.00 H new ATOM 487 N ILE A 406 2.152 -35.632 -0.086 1.00 0.00 N ATOM 488 CA ILE A 406 3.368 -34.829 -0.056 1.00 0.00 C ATOM 489 C ILE A 406 4.002 -34.882 1.343 1.00 0.00 C ATOM 490 O ILE A 406 5.218 -35.012 1.453 1.00 0.00 O ATOM 491 CB ILE A 406 3.062 -33.396 -0.541 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.686 -33.437 -2.032 1.00 0.00 C ATOM 493 CG2 ILE A 406 4.255 -32.453 -0.323 1.00 0.00 C ATOM 494 CD1 ILE A 406 2.094 -32.123 -2.548 1.00 0.00 C ATOM 0 H ILE A 406 1.312 -35.111 -0.337 1.00 0.00 H new ATOM 0 HA ILE A 406 4.108 -35.239 -0.743 1.00 0.00 H new ATOM 0 HB ILE A 406 2.229 -33.007 0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.574 -33.681 -2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.967 -34.239 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.999 -31.455 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 406 4.496 -32.410 0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 406 5.118 -32.824 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.852 -32.224 -3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 406 1.188 -31.888 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.820 -31.320 -2.417 1.00 0.00 H new ATOM 506 N LEU A 407 3.193 -34.806 2.407 1.00 0.00 N ATOM 507 CA LEU A 407 3.644 -34.880 3.794 1.00 0.00 C ATOM 508 C LEU A 407 4.289 -36.242 4.083 1.00 0.00 C ATOM 509 O LEU A 407 5.212 -36.337 4.891 1.00 0.00 O ATOM 510 CB LEU A 407 2.453 -34.604 4.723 1.00 0.00 C ATOM 511 CG LEU A 407 2.769 -34.648 6.227 1.00 0.00 C ATOM 512 CD1 LEU A 407 3.787 -33.574 6.628 1.00 0.00 C ATOM 513 CD2 LEU A 407 1.457 -34.465 6.997 1.00 0.00 C ATOM 0 H LEU A 407 2.183 -34.689 2.321 1.00 0.00 H new ATOM 0 HA LEU A 407 4.408 -34.124 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 407 2.046 -33.622 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 407 1.671 -35.334 4.511 1.00 0.00 H new ATOM 0 HG LEU A 407 3.220 -35.610 6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 407 3.982 -33.639 7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 407 4.716 -33.730 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 407 3.387 -32.588 6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 407 1.657 -34.493 8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 407 1.013 -33.505 6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 407 0.767 -35.267 6.736 1.00 0.00 H new ATOM 525 N LEU A 408 3.816 -37.303 3.422 1.00 0.00 N ATOM 526 CA LEU A 408 4.356 -38.644 3.578 1.00 0.00 C ATOM 527 C LEU A 408 5.686 -38.761 2.832 1.00 0.00 C ATOM 528 O LEU A 408 6.672 -39.234 3.396 1.00 0.00 O ATOM 529 CB LEU A 408 3.353 -39.697 3.062 1.00 0.00 C ATOM 530 CG LEU A 408 2.509 -40.318 4.188 1.00 0.00 C ATOM 531 CD1 LEU A 408 1.600 -39.312 4.903 1.00 0.00 C ATOM 532 CD2 LEU A 408 1.645 -41.449 3.618 1.00 0.00 C ATOM 0 H LEU A 408 3.042 -37.248 2.760 1.00 0.00 H new ATOM 0 HA LEU A 408 4.529 -38.830 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 408 2.691 -39.234 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 408 3.897 -40.487 2.544 1.00 0.00 H new ATOM 0 HG LEU A 408 3.215 -40.693 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 408 1.036 -39.822 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 408 2.208 -38.526 5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 408 0.908 -38.872 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 408 1.047 -41.888 4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 408 0.985 -41.050 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 408 2.288 -42.214 3.183 1.00 0.00 H new ATOM 544 N HIS A 409 5.701 -38.349 1.564 1.00 0.00 N ATOM 545 CA HIS A 409 6.844 -38.438 0.668 1.00 0.00 C ATOM 546 C HIS A 409 8.011 -37.564 1.132 1.00 0.00 C ATOM 547 O HIS A 409 9.127 -38.058 1.282 1.00 0.00 O ATOM 548 CB HIS A 409 6.401 -38.107 -0.767 1.00 0.00 C ATOM 549 CG HIS A 409 5.208 -38.897 -1.267 1.00 0.00 C ATOM 550 ND1 HIS A 409 4.701 -38.747 -2.548 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.395 -39.843 -0.683 1.00 0.00 C ATOM 552 CE1 HIS A 409 3.648 -39.572 -2.662 1.00 0.00 C ATOM 553 NE2 HIS A 409 3.407 -40.272 -1.557 1.00 0.00 N ATOM 0 H HIS A 409 4.884 -37.929 1.120 1.00 0.00 H new ATOM 0 HA HIS A 409 7.219 -39.461 0.685 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.163 -37.045 -0.822 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.241 -38.281 -1.440 1.00 0.00 H new ATOM 0 HD1 HIS A 409 5.061 -38.124 -3.271 1.00 0.00 H new ATOM 0 HD2 HIS A 409 4.512 -40.205 0.328 1.00 0.00 H new ATOM 0 HE1 HIS A 409 3.056 -39.659 -3.561 1.00 0.00 H new ATOM 561 N TYR A 410 7.759 -36.273 1.360 1.00 0.00 N ATOM 562 CA TYR A 410 8.749 -35.305 1.806 1.00 0.00 C ATOM 563 C TYR A 410 8.557 -35.041 3.295 1.00 0.00 C ATOM 564 O TYR A 410 7.490 -35.310 3.838 1.00 0.00 O ATOM 565 CB TYR A 410 8.573 -33.991 1.050 1.00 0.00 C ATOM 566 CG TYR A 410 8.742 -34.050 -0.453 1.00 0.00 C ATOM 567 CD1 TYR A 410 7.647 -34.402 -1.261 1.00 0.00 C ATOM 568 CD2 TYR A 410 9.982 -33.747 -1.046 1.00 0.00 C ATOM 569 CE1 TYR A 410 7.793 -34.451 -2.655 1.00 0.00 C ATOM 570 CE2 TYR A 410 10.126 -33.795 -2.444 1.00 0.00 C ATOM 571 CZ TYR A 410 9.029 -34.147 -3.247 1.00 0.00 C ATOM 572 OH TYR A 410 9.156 -34.196 -4.604 1.00 0.00 O ATOM 0 H TYR A 410 6.832 -35.866 1.234 1.00 0.00 H new ATOM 0 HA TYR A 410 9.746 -35.704 1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.578 -33.603 1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 410 9.289 -33.271 1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 410 6.694 -34.634 -0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 410 10.824 -33.477 -0.426 1.00 0.00 H new ATOM 0 HE1 TYR A 410 6.952 -34.724 -3.275 1.00 0.00 H new ATOM 0 HE2 TYR A 410 11.077 -33.562 -2.899 1.00 0.00 H new ATOM 0 HH TYR A 410 8.941 -35.098 -4.920 1.00 0.00 H new ATOM 582 N LYS A 411 9.584 -34.514 3.965 1.00 0.00 N ATOM 583 CA LYS A 411 9.522 -34.206 5.386 1.00 0.00 C ATOM 584 C LYS A 411 9.267 -32.711 5.589 1.00 0.00 C ATOM 585 O LYS A 411 9.564 -31.901 4.712 1.00 0.00 O ATOM 586 CB LYS A 411 10.812 -34.654 6.083 1.00 0.00 C ATOM 587 CG LYS A 411 11.132 -36.149 5.911 1.00 0.00 C ATOM 588 CD LYS A 411 10.010 -37.087 6.398 1.00 0.00 C ATOM 589 CE LYS A 411 9.238 -37.779 5.257 1.00 0.00 C ATOM 590 NZ LYS A 411 7.776 -37.599 5.358 1.00 0.00 N ATOM 0 H LYS A 411 10.480 -34.290 3.533 1.00 0.00 H new ATOM 0 HA LYS A 411 8.693 -34.753 5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 411 11.645 -34.068 5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.734 -34.430 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 411 11.329 -36.350 4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 411 12.047 -36.380 6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.442 -37.849 7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 411 9.308 -36.514 7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 411 9.582 -37.384 4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 411 9.469 -38.844 5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 7.296 -38.353 4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 7.489 -37.643 6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 7.512 -36.674 4.962 1.00 0.00 H new ATOM 604 N PHE A 412 8.712 -32.365 6.753 1.00 0.00 N ATOM 605 CA PHE A 412 8.390 -31.009 7.175 1.00 0.00 C ATOM 606 C PHE A 412 8.494 -30.964 8.700 1.00 0.00 C ATOM 607 O PHE A 412 8.705 -32.000 9.329 1.00 0.00 O ATOM 608 CB PHE A 412 6.962 -30.620 6.765 1.00 0.00 C ATOM 609 CG PHE A 412 6.652 -30.565 5.281 1.00 0.00 C ATOM 610 CD1 PHE A 412 6.391 -31.732 4.538 1.00 0.00 C ATOM 611 CD2 PHE A 412 6.618 -29.316 4.643 1.00 0.00 C ATOM 612 CE1 PHE A 412 6.100 -31.642 3.164 1.00 0.00 C ATOM 613 CE2 PHE A 412 6.328 -29.228 3.276 1.00 0.00 C ATOM 614 CZ PHE A 412 6.068 -30.387 2.529 1.00 0.00 C ATOM 0 H PHE A 412 8.465 -33.060 7.457 1.00 0.00 H new ATOM 0 HA PHE A 412 9.080 -30.311 6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 412 6.274 -31.329 7.227 1.00 0.00 H new ATOM 0 HB3 PHE A 412 6.744 -29.641 7.191 1.00 0.00 H new ATOM 0 HD1 PHE A 412 6.414 -32.697 5.023 1.00 0.00 H new ATOM 0 HD2 PHE A 412 6.816 -28.418 5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 412 5.901 -32.539 2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 412 6.304 -28.262 2.794 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.845 -30.316 1.475 1.00 0.00 H new ATOM 624 N ASN A 413 8.322 -29.780 9.298 1.00 0.00 N ATOM 625 CA ASN A 413 8.367 -29.620 10.745 1.00 0.00 C ATOM 626 C ASN A 413 7.176 -30.358 11.366 1.00 0.00 C ATOM 627 O ASN A 413 7.350 -31.360 12.054 1.00 0.00 O ATOM 628 CB ASN A 413 8.318 -28.133 11.117 1.00 0.00 C ATOM 629 CG ASN A 413 9.527 -27.322 10.658 1.00 0.00 C ATOM 630 OD1 ASN A 413 10.570 -27.868 10.309 1.00 0.00 O ATOM 631 ND2 ASN A 413 9.383 -25.997 10.667 1.00 0.00 N ATOM 0 H ASN A 413 8.149 -28.913 8.790 1.00 0.00 H new ATOM 0 HA ASN A 413 9.298 -30.039 11.128 1.00 0.00 H new ATOM 0 HB2 ASN A 413 7.418 -27.694 10.686 1.00 0.00 H new ATOM 0 HB3 ASN A 413 8.229 -28.046 12.200 1.00 0.00 H new ATOM 0 HD21 ASN A 413 10.156 -25.398 10.377 1.00 0.00 H new ATOM 0 HD22 ASN A 413 8.500 -25.582 10.964 1.00 0.00 H new ATOM 638 N ASN A 414 5.963 -29.849 11.112 1.00 0.00 N ATOM 639 CA ASN A 414 4.695 -30.385 11.591 1.00 0.00 C ATOM 640 C ASN A 414 3.598 -29.634 10.834 1.00 0.00 C ATOM 641 O ASN A 414 2.922 -28.771 11.395 1.00 0.00 O ATOM 642 CB ASN A 414 4.576 -30.219 13.117 1.00 0.00 C ATOM 643 CG ASN A 414 3.349 -30.934 13.685 1.00 0.00 C ATOM 644 OD1 ASN A 414 3.469 -32.009 14.267 1.00 0.00 O ATOM 645 ND2 ASN A 414 2.164 -30.345 13.534 1.00 0.00 N ATOM 0 H ASN A 414 5.840 -29.014 10.540 1.00 0.00 H new ATOM 0 HA ASN A 414 4.611 -31.456 11.405 1.00 0.00 H new ATOM 0 HB2 ASN A 414 5.475 -30.610 13.594 1.00 0.00 H new ATOM 0 HB3 ASN A 414 4.521 -29.158 13.362 1.00 0.00 H new ATOM 0 HD21 ASN A 414 1.324 -30.787 13.907 1.00 0.00 H new ATOM 0 HD22 ASN A 414 2.097 -29.452 13.046 1.00 0.00 H new ATOM 652 N ARG A 415 3.452 -29.944 9.542 1.00 0.00 N ATOM 653 CA ARG A 415 2.495 -29.301 8.652 1.00 0.00 C ATOM 654 C ARG A 415 1.386 -30.280 8.284 1.00 0.00 C ATOM 655 O ARG A 415 1.659 -31.347 7.746 1.00 0.00 O ATOM 656 CB ARG A 415 3.217 -28.802 7.394 1.00 0.00 C ATOM 657 CG ARG A 415 4.473 -27.983 7.715 1.00 0.00 C ATOM 658 CD ARG A 415 4.191 -26.789 8.624 1.00 0.00 C ATOM 659 NE ARG A 415 5.395 -25.965 8.759 1.00 0.00 N ATOM 660 CZ ARG A 415 5.440 -24.819 9.458 1.00 0.00 C ATOM 661 NH1 ARG A 415 4.339 -24.412 10.100 1.00 0.00 N ATOM 662 NH2 ARG A 415 6.564 -24.095 9.504 1.00 0.00 N ATOM 0 H ARG A 415 4.009 -30.664 9.082 1.00 0.00 H new ATOM 0 HA ARG A 415 2.045 -28.448 9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 415 3.494 -29.657 6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.532 -28.192 6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 415 5.210 -28.630 8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 415 4.916 -27.628 6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 415 3.377 -26.193 8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 415 3.867 -27.137 9.605 1.00 0.00 H new ATOM 0 HE ARG A 415 6.248 -26.280 8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.486 -24.969 10.053 1.00 0.00 H new ATOM 0 HH12 ARG A 415 4.353 -23.545 10.636 1.00 0.00 H new ATOM 0 HH21 ARG A 415 7.396 -24.412 9.006 1.00 0.00 H new ATOM 0 HH22 ARG A 415 6.589 -23.226 10.037 1.00 0.00 H new ATOM 676 N THR A 416 0.138 -29.906 8.572 1.00 0.00 N ATOM 677 CA THR A 416 -1.042 -30.700 8.282 1.00 0.00 C ATOM 678 C THR A 416 -1.499 -30.446 6.845 1.00 0.00 C ATOM 679 O THR A 416 -1.023 -29.519 6.188 1.00 0.00 O ATOM 680 CB THR A 416 -2.156 -30.272 9.249 1.00 0.00 C ATOM 681 OG1 THR A 416 -2.432 -28.896 9.062 1.00 0.00 O ATOM 682 CG2 THR A 416 -1.763 -30.519 10.710 1.00 0.00 C ATOM 0 H THR A 416 -0.078 -29.018 9.025 1.00 0.00 H new ATOM 0 HA THR A 416 -0.816 -31.760 8.400 1.00 0.00 H new ATOM 0 HB THR A 416 -3.041 -30.871 9.034 1.00 0.00 H new ATOM 0 HG1 THR A 416 -3.144 -28.619 9.676 1.00 0.00 H new ATOM 0 HG21 THR A 416 -2.576 -30.204 11.364 1.00 0.00 H new ATOM 0 HG22 THR A 416 -1.568 -31.581 10.860 1.00 0.00 H new ATOM 0 HG23 THR A 416 -0.865 -29.948 10.947 1.00 0.00 H new ATOM 690 N SER A 417 -2.456 -31.251 6.368 1.00 0.00 N ATOM 691 CA SER A 417 -3.043 -31.079 5.045 1.00 0.00 C ATOM 692 C SER A 417 -3.606 -29.651 4.954 1.00 0.00 C ATOM 693 O SER A 417 -3.460 -28.991 3.927 1.00 0.00 O ATOM 694 CB SER A 417 -4.104 -32.165 4.816 1.00 0.00 C ATOM 695 OG SER A 417 -4.741 -32.023 3.562 1.00 0.00 O ATOM 0 H SER A 417 -2.841 -32.037 6.892 1.00 0.00 H new ATOM 0 HA SER A 417 -2.303 -31.196 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 417 -3.637 -33.148 4.877 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.850 -32.117 5.610 1.00 0.00 H new ATOM 0 HG SER A 417 -5.408 -32.732 3.452 1.00 0.00 H new ATOM 701 N VAL A 418 -4.214 -29.169 6.052 1.00 0.00 N ATOM 702 CA VAL A 418 -4.755 -27.820 6.159 1.00 0.00 C ATOM 703 C VAL A 418 -3.633 -26.808 5.922 1.00 0.00 C ATOM 704 O VAL A 418 -3.759 -25.963 5.042 1.00 0.00 O ATOM 705 CB VAL A 418 -5.393 -27.572 7.543 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.997 -26.163 7.612 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.497 -28.575 7.881 1.00 0.00 C ATOM 0 H VAL A 418 -4.341 -29.722 6.899 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.535 -27.704 5.406 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.587 -27.689 8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -6.442 -26.006 8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -5.214 -25.423 7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.764 -26.058 6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.906 -28.348 8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -7.289 -28.509 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -6.084 -29.584 7.883 1.00 0.00 H new ATOM 717 N MET A 419 -2.548 -26.888 6.710 1.00 0.00 N ATOM 718 CA MET A 419 -1.409 -25.982 6.604 1.00 0.00 C ATOM 719 C MET A 419 -0.879 -25.915 5.172 1.00 0.00 C ATOM 720 O MET A 419 -0.772 -24.835 4.596 1.00 0.00 O ATOM 721 CB MET A 419 -0.282 -26.448 7.537 1.00 0.00 C ATOM 722 CG MET A 419 -0.515 -26.105 9.007 1.00 0.00 C ATOM 723 SD MET A 419 -0.299 -24.350 9.392 1.00 0.00 S ATOM 724 CE MET A 419 -0.345 -24.452 11.192 1.00 0.00 C ATOM 0 H MET A 419 -2.443 -27.591 7.442 1.00 0.00 H new ATOM 0 HA MET A 419 -1.748 -24.987 6.894 1.00 0.00 H new ATOM 0 HB2 MET A 419 -0.166 -27.527 7.440 1.00 0.00 H new ATOM 0 HB3 MET A 419 0.655 -25.996 7.213 1.00 0.00 H new ATOM 0 HG2 MET A 419 -1.525 -26.406 9.285 1.00 0.00 H new ATOM 0 HG3 MET A 419 0.172 -26.689 9.620 1.00 0.00 H new ATOM 0 HE1 MET A 419 -0.226 -23.455 11.616 1.00 0.00 H new ATOM 0 HE2 MET A 419 -1.301 -24.869 11.508 1.00 0.00 H new ATOM 0 HE3 MET A 419 0.464 -25.094 11.541 1.00 0.00 H new ATOM 734 N LEU A 420 -0.536 -27.078 4.613 1.00 0.00 N ATOM 735 CA LEU A 420 0.013 -27.216 3.272 1.00 0.00 C ATOM 736 C LEU A 420 -0.911 -26.573 2.229 1.00 0.00 C ATOM 737 O LEU A 420 -0.474 -25.714 1.461 1.00 0.00 O ATOM 738 CB LEU A 420 0.262 -28.707 2.991 1.00 0.00 C ATOM 739 CG LEU A 420 1.368 -29.293 3.889 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.179 -30.795 4.108 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.761 -29.092 3.285 1.00 0.00 C ATOM 0 H LEU A 420 -0.637 -27.970 5.097 1.00 0.00 H new ATOM 0 HA LEU A 420 0.963 -26.686 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.662 -29.263 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.540 -28.836 1.945 1.00 0.00 H new ATOM 0 HG LEU A 420 1.291 -28.759 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 420 1.978 -31.173 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.216 -30.975 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.208 -31.309 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.511 -29.520 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.812 -29.587 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.953 -28.026 3.159 1.00 0.00 H new ATOM 753 N LYS A 421 -2.185 -26.983 2.206 1.00 0.00 N ATOM 754 CA LYS A 421 -3.164 -26.462 1.264 1.00 0.00 C ATOM 755 C LYS A 421 -3.349 -24.953 1.401 1.00 0.00 C ATOM 756 O LYS A 421 -3.266 -24.226 0.411 1.00 0.00 O ATOM 757 CB LYS A 421 -4.510 -27.180 1.447 1.00 0.00 C ATOM 758 CG LYS A 421 -5.502 -26.788 0.335 1.00 0.00 C ATOM 759 CD LYS A 421 -6.806 -26.164 0.846 1.00 0.00 C ATOM 760 CE LYS A 421 -6.639 -24.836 1.590 1.00 0.00 C ATOM 761 NZ LYS A 421 -7.934 -24.206 1.908 1.00 0.00 N ATOM 0 H LYS A 421 -2.559 -27.686 2.843 1.00 0.00 H new ATOM 0 HA LYS A 421 -2.784 -26.653 0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.355 -28.259 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.931 -26.928 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -5.015 -26.083 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.742 -27.675 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -7.473 -26.007 -0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -7.296 -26.876 1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -6.084 -25.006 2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -6.045 -24.154 0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -7.797 -23.483 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -8.323 -23.761 1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -8.596 -24.929 2.254 1.00 0.00 H new ATOM 775 N ASP A 422 -3.629 -24.488 2.622 1.00 0.00 N ATOM 776 CA ASP A 422 -3.875 -23.083 2.894 1.00 0.00 C ATOM 777 C ASP A 422 -2.689 -22.240 2.462 1.00 0.00 C ATOM 778 O ASP A 422 -2.870 -21.267 1.745 1.00 0.00 O ATOM 779 CB ASP A 422 -4.215 -22.845 4.366 1.00 0.00 C ATOM 780 CG ASP A 422 -4.476 -21.359 4.582 1.00 0.00 C ATOM 781 OD1 ASP A 422 -5.478 -20.873 4.014 1.00 0.00 O ATOM 782 OD2 ASP A 422 -3.656 -20.733 5.287 1.00 0.00 O ATOM 0 H ASP A 422 -3.690 -25.084 3.448 1.00 0.00 H new ATOM 0 HA ASP A 422 -4.743 -22.777 2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -5.093 -23.426 4.648 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -3.394 -23.179 5.001 1.00 0.00 H new ATOM 787 N ARG A 423 -1.480 -22.614 2.876 1.00 0.00 N ATOM 788 CA ARG A 423 -0.283 -21.881 2.510 1.00 0.00 C ATOM 789 C ARG A 423 -0.143 -21.769 0.993 1.00 0.00 C ATOM 790 O ARG A 423 0.084 -20.675 0.472 1.00 0.00 O ATOM 791 CB ARG A 423 0.928 -22.560 3.133 1.00 0.00 C ATOM 792 CG ARG A 423 2.175 -21.723 2.848 1.00 0.00 C ATOM 793 CD ARG A 423 3.258 -22.180 3.809 1.00 0.00 C ATOM 794 NE ARG A 423 4.389 -21.256 3.817 1.00 0.00 N ATOM 795 CZ ARG A 423 5.427 -21.284 2.975 1.00 0.00 C ATOM 796 NH1 ARG A 423 5.454 -22.151 1.959 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.443 -20.436 3.155 1.00 0.00 N ATOM 0 H ARG A 423 -1.309 -23.426 3.469 1.00 0.00 H new ATOM 0 HA ARG A 423 -0.355 -20.863 2.894 1.00 0.00 H new ATOM 0 HB2 ARG A 423 0.786 -22.668 4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.048 -23.563 2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 423 2.498 -21.855 1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 423 1.964 -20.662 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 423 2.844 -22.260 4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 423 3.601 -23.175 3.526 1.00 0.00 H new ATOM 0 HE ARG A 423 4.387 -20.525 4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 423 4.678 -22.799 1.821 1.00 0.00 H new ATOM 0 HH12 ARG A 423 6.250 -22.165 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 423 6.423 -19.774 3.930 1.00 0.00 H new ATOM 0 HH22 ARG A 423 7.239 -20.451 2.517 1.00 0.00 H new ATOM 811 N TRP A 424 -0.282 -22.896 0.283 1.00 0.00 N ATOM 812 CA TRP A 424 -0.177 -22.913 -1.163 1.00 0.00 C ATOM 813 C TRP A 424 -1.198 -21.951 -1.776 1.00 0.00 C ATOM 814 O TRP A 424 -0.845 -21.146 -2.633 1.00 0.00 O ATOM 815 CB TRP A 424 -0.358 -24.345 -1.658 1.00 0.00 C ATOM 816 CG TRP A 424 -0.035 -24.559 -3.100 1.00 0.00 C ATOM 817 CD1 TRP A 424 -0.934 -24.633 -4.102 1.00 0.00 C ATOM 818 CD2 TRP A 424 1.269 -24.734 -3.722 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.287 -24.848 -5.300 1.00 0.00 N ATOM 820 CE2 TRP A 424 1.081 -24.918 -5.123 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.596 -24.757 -3.243 1.00 0.00 C ATOM 822 CZ2 TRP A 424 2.157 -25.119 -6.002 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.679 -24.955 -4.115 1.00 0.00 C ATOM 824 CH2 TRP A 424 3.465 -25.138 -5.492 1.00 0.00 C ATOM 0 H TRP A 424 -0.468 -23.808 0.699 1.00 0.00 H new ATOM 0 HA TRP A 424 0.809 -22.570 -1.476 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.271 -25.003 -1.059 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.391 -24.646 -1.484 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.003 -24.538 -3.984 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -0.757 -24.943 -6.200 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.782 -24.620 -2.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 1.981 -25.257 -7.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.686 -24.967 -3.724 1.00 0.00 H new ATOM 0 HH2 TRP A 424 4.303 -25.293 -6.155 1.00 0.00 H new ATOM 835 N ARG A 425 -2.452 -22.024 -1.320 1.00 0.00 N ATOM 836 CA ARG A 425 -3.547 -21.172 -1.765 1.00 0.00 C ATOM 837 C ARG A 425 -3.204 -19.693 -1.548 1.00 0.00 C ATOM 838 O ARG A 425 -3.288 -18.888 -2.477 1.00 0.00 O ATOM 839 CB ARG A 425 -4.816 -21.584 -1.002 1.00 0.00 C ATOM 840 CG ARG A 425 -6.044 -20.728 -1.330 1.00 0.00 C ATOM 841 CD ARG A 425 -7.260 -21.197 -0.522 1.00 0.00 C ATOM 842 NE ARG A 425 -7.127 -20.905 0.918 1.00 0.00 N ATOM 843 CZ ARG A 425 -8.143 -20.950 1.799 1.00 0.00 C ATOM 844 NH1 ARG A 425 -9.336 -21.434 1.432 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.960 -20.555 3.063 1.00 0.00 N ATOM 0 H ARG A 425 -2.736 -22.699 -0.610 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.716 -21.298 -2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -5.041 -22.626 -1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -4.620 -21.525 0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.835 -19.682 -1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -6.263 -20.790 -2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -8.157 -20.712 -0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -7.393 -22.270 -0.661 1.00 0.00 H new ATOM 0 HE ARG A 425 -6.203 -20.652 1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -9.479 -21.771 0.480 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -10.102 -21.466 2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -7.046 -20.217 3.364 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -8.734 -20.592 3.726 1.00 0.00 H new ATOM 859 N THR A 426 -2.826 -19.343 -0.314 1.00 0.00 N ATOM 860 CA THR A 426 -2.478 -17.999 0.112 1.00 0.00 C ATOM 861 C THR A 426 -1.397 -17.386 -0.776 1.00 0.00 C ATOM 862 O THR A 426 -1.536 -16.236 -1.188 1.00 0.00 O ATOM 863 CB THR A 426 -2.042 -17.998 1.585 1.00 0.00 C ATOM 864 OG1 THR A 426 -3.023 -18.572 2.413 1.00 0.00 O ATOM 865 CG2 THR A 426 -1.850 -16.566 2.072 1.00 0.00 C ATOM 0 H THR A 426 -2.754 -20.024 0.442 1.00 0.00 H new ATOM 0 HA THR A 426 -3.369 -17.379 0.012 1.00 0.00 H new ATOM 0 HB THR A 426 -1.117 -18.572 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 426 -3.014 -19.546 2.304 1.00 0.00 H new ATOM 0 HG21 THR A 426 -1.541 -16.576 3.117 1.00 0.00 H new ATOM 0 HG22 THR A 426 -1.083 -16.077 1.471 1.00 0.00 H new ATOM 0 HG23 THR A 426 -2.789 -16.020 1.976 1.00 0.00 H new ATOM 873 N MET A 427 -0.328 -18.129 -1.075 1.00 0.00 N ATOM 874 CA MET A 427 0.736 -17.603 -1.917 1.00 0.00 C ATOM 875 C MET A 427 0.281 -17.532 -3.380 1.00 0.00 C ATOM 876 O MET A 427 0.464 -16.511 -4.042 1.00 0.00 O ATOM 877 CB MET A 427 2.003 -18.453 -1.763 1.00 0.00 C ATOM 878 CG MET A 427 3.217 -17.633 -2.222 1.00 0.00 C ATOM 879 SD MET A 427 4.735 -18.562 -2.554 1.00 0.00 S ATOM 880 CE MET A 427 4.236 -19.386 -4.084 1.00 0.00 C ATOM 0 H MET A 427 -0.182 -19.084 -0.749 1.00 0.00 H new ATOM 0 HA MET A 427 0.971 -16.588 -1.596 1.00 0.00 H new ATOM 0 HB2 MET A 427 2.127 -18.759 -0.724 1.00 0.00 H new ATOM 0 HB3 MET A 427 1.919 -19.364 -2.355 1.00 0.00 H new ATOM 0 HG2 MET A 427 2.942 -17.093 -3.128 1.00 0.00 H new ATOM 0 HG3 MET A 427 3.433 -16.886 -1.458 1.00 0.00 H new ATOM 0 HE1 MET A 427 5.112 -19.821 -4.565 1.00 0.00 H new ATOM 0 HE2 MET A 427 3.518 -20.174 -3.856 1.00 0.00 H new ATOM 0 HE3 MET A 427 3.777 -18.660 -4.755 1.00 0.00 H new ATOM 890 N LYS A 428 -0.307 -18.626 -3.883 1.00 0.00 N ATOM 891 CA LYS A 428 -0.790 -18.759 -5.251 1.00 0.00 C ATOM 892 C LYS A 428 -1.692 -17.597 -5.669 1.00 0.00 C ATOM 893 O LYS A 428 -1.511 -17.066 -6.760 1.00 0.00 O ATOM 894 CB LYS A 428 -1.487 -20.117 -5.422 1.00 0.00 C ATOM 895 CG LYS A 428 -2.026 -20.330 -6.844 1.00 0.00 C ATOM 896 CD LYS A 428 -2.434 -21.788 -7.100 1.00 0.00 C ATOM 897 CE LYS A 428 -3.452 -22.310 -6.076 1.00 0.00 C ATOM 898 NZ LYS A 428 -4.008 -23.614 -6.484 1.00 0.00 N ATOM 0 H LYS A 428 -0.461 -19.466 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 428 0.070 -18.719 -5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -0.784 -20.915 -5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -2.310 -20.191 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -2.886 -19.681 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -1.265 -20.036 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -2.857 -21.872 -8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -1.545 -22.419 -7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -2.973 -22.406 -5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -4.260 -21.587 -5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -4.305 -24.144 -5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -4.829 -23.463 -7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -3.283 -24.156 -6.996 1.00 0.00 H new ATOM 912 N LYS A 429 -2.650 -17.197 -4.825 1.00 0.00 N ATOM 913 CA LYS A 429 -3.565 -16.103 -5.144 1.00 0.00 C ATOM 914 C LYS A 429 -2.859 -14.774 -5.454 1.00 0.00 C ATOM 915 O LYS A 429 -3.445 -13.920 -6.115 1.00 0.00 O ATOM 916 CB LYS A 429 -4.598 -15.921 -4.016 1.00 0.00 C ATOM 917 CG LYS A 429 -3.975 -15.400 -2.708 1.00 0.00 C ATOM 918 CD LYS A 429 -4.659 -14.134 -2.169 1.00 0.00 C ATOM 919 CE LYS A 429 -3.744 -13.330 -1.228 1.00 0.00 C ATOM 920 NZ LYS A 429 -3.116 -14.160 -0.184 1.00 0.00 N ATOM 0 H LYS A 429 -2.810 -17.620 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 429 -4.075 -16.391 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -5.370 -15.226 -4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -5.089 -16.875 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -4.028 -16.183 -1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.919 -15.190 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -4.961 -13.503 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -5.568 -14.414 -1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -2.965 -12.845 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -4.325 -12.539 -0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -2.595 -13.550 0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -3.852 -14.683 0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -2.458 -14.834 -0.625 1.00 0.00 H new