USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=14 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 416 THR OG1 : rot -170:sc= -0.366 USER MOD Set 1.2: A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 381 GLN : amide:sc= 0.158 X(o=1.1,f=0.68) USER MOD Set 2.2: A 413 ASN : amide:sc= 0.96 K(o=1.1,f=-0.12) USER MOD Set 3.1: A 398 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 409 HIS : no HD1:sc= -0.651 K(o=-0.65,f=-0.03) USER MOD Set 4.1: A 404 SER OG : rot 149:sc= 0.864 USER MOD Set 4.2: A 405 LYS NZ :NH3+ -177:sc= 0.979 (180deg=0) USER MOD Set 5.1: A 389 LYS NZ :NH3+ -137:sc= -0.211 (180deg=-0.0311) USER MOD Set 5.2: A 390 ASN : amide:sc= 0.264 K(o=0.053,f=-6.7!) USER MOD Single : A 393 SER OG : rot 77:sc= 1.04 USER MOD Single : A 397 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 ASN : amide:sc= 0.207 K(o=0.21,f=-3.2!) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 145:sc= 1.31 (180deg=0.157) USER MOD Single : A 414 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 LYS NZ :NH3+ -161:sc= 0.508 (180deg=-0.769!) USER MOD Single : A 426 THR OG1 : rot 180:sc= 0 USER MOD Single : A 427 MET CE :methyl 156:sc= -0.13 (180deg=-0.72) USER MOD Single : A 428 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.09) USER MOD Single : A 429 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0186) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.636 -21.428 13.383 1.00 0.00 N ATOM 72 CA GLN A 381 6.968 -21.624 12.835 1.00 0.00 C ATOM 73 C GLN A 381 7.025 -20.999 11.446 1.00 0.00 C ATOM 74 O GLN A 381 6.374 -21.485 10.523 1.00 0.00 O ATOM 75 CB GLN A 381 7.306 -23.118 12.770 1.00 0.00 C ATOM 76 CG GLN A 381 7.506 -23.724 14.164 1.00 0.00 C ATOM 77 CD GLN A 381 8.027 -25.156 14.066 1.00 0.00 C ATOM 78 OE1 GLN A 381 7.314 -26.105 14.374 1.00 0.00 O ATOM 79 NE2 GLN A 381 9.277 -25.314 13.624 1.00 0.00 N ATOM 0 HA GLN A 381 7.704 -21.144 13.480 1.00 0.00 H new ATOM 0 HB2 GLN A 381 6.505 -23.649 12.256 1.00 0.00 H new ATOM 0 HB3 GLN A 381 8.212 -23.259 12.180 1.00 0.00 H new ATOM 0 HG2 GLN A 381 8.209 -23.115 14.732 1.00 0.00 H new ATOM 0 HG3 GLN A 381 6.562 -23.713 14.709 1.00 0.00 H new ATOM 0 HE21 GLN A 381 9.838 -24.498 13.378 1.00 0.00 H new ATOM 0 HE22 GLN A 381 9.671 -26.250 13.532 1.00 0.00 H new ATOM 88 N ALA A 382 7.818 -19.932 11.295 1.00 0.00 N ATOM 89 CA ALA A 382 7.995 -19.261 10.017 1.00 0.00 C ATOM 90 C ALA A 382 8.639 -20.247 9.041 1.00 0.00 C ATOM 91 O ALA A 382 9.611 -20.917 9.386 1.00 0.00 O ATOM 92 CB ALA A 382 8.861 -18.012 10.197 1.00 0.00 C ATOM 0 H ALA A 382 8.351 -19.516 12.058 1.00 0.00 H new ATOM 0 HA ALA A 382 7.033 -18.939 9.619 1.00 0.00 H new ATOM 0 HB1 ALA A 382 8.988 -17.516 9.235 1.00 0.00 H new ATOM 0 HB2 ALA A 382 8.376 -17.330 10.895 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.837 -18.299 10.589 1.00 0.00 H new ATOM 98 N TRP A 383 8.081 -20.345 7.833 1.00 0.00 N ATOM 99 CA TRP A 383 8.551 -21.252 6.802 1.00 0.00 C ATOM 100 C TRP A 383 9.840 -20.722 6.157 1.00 0.00 C ATOM 101 O TRP A 383 10.185 -19.550 6.310 1.00 0.00 O ATOM 102 CB TRP A 383 7.423 -21.470 5.788 1.00 0.00 C ATOM 103 CG TRP A 383 6.218 -22.231 6.278 1.00 0.00 C ATOM 104 CD1 TRP A 383 5.435 -21.913 7.334 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.639 -23.451 5.725 1.00 0.00 C ATOM 106 NE1 TRP A 383 4.425 -22.843 7.478 1.00 0.00 N ATOM 107 CE2 TRP A 383 4.503 -23.817 6.508 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.955 -24.286 4.635 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.725 -24.949 6.223 1.00 0.00 C ATOM 110 CZ3 TRP A 383 5.186 -25.428 4.347 1.00 0.00 C ATOM 111 CH2 TRP A 383 4.074 -25.759 5.135 1.00 0.00 C ATOM 0 H TRP A 383 7.278 -19.785 7.546 1.00 0.00 H new ATOM 0 HA TRP A 383 8.809 -22.218 7.236 1.00 0.00 H new ATOM 0 HB2 TRP A 383 7.090 -20.495 5.433 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.834 -21.999 4.928 1.00 0.00 H new ATOM 0 HD1 TRP A 383 5.579 -21.054 7.973 1.00 0.00 H new ATOM 0 HE1 TRP A 383 3.713 -22.813 8.208 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.802 -24.045 4.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.869 -25.193 6.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.455 -26.056 3.511 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.488 -26.636 4.903 1.00 0.00 H new ATOM 122 N LEU A 384 10.557 -21.599 5.448 1.00 0.00 N ATOM 123 CA LEU A 384 11.820 -21.320 4.770 1.00 0.00 C ATOM 124 C LEU A 384 11.939 -22.312 3.607 1.00 0.00 C ATOM 125 O LEU A 384 11.142 -23.249 3.549 1.00 0.00 O ATOM 126 CB LEU A 384 12.952 -21.472 5.804 1.00 0.00 C ATOM 127 CG LEU A 384 14.372 -21.131 5.321 1.00 0.00 C ATOM 128 CD1 LEU A 384 14.482 -19.683 4.828 1.00 0.00 C ATOM 129 CD2 LEU A 384 15.359 -21.343 6.475 1.00 0.00 C ATOM 0 H LEU A 384 10.256 -22.566 5.327 1.00 0.00 H new ATOM 0 HA LEU A 384 11.877 -20.310 4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.721 -20.837 6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 384 12.951 -22.502 6.162 1.00 0.00 H new ATOM 0 HG LEU A 384 14.606 -21.788 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 384 15.502 -19.488 4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 384 13.795 -19.529 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 384 14.227 -19.002 5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 384 16.368 -21.103 6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 384 15.090 -20.694 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 384 15.322 -22.383 6.799 1.00 0.00 H new ATOM 141 N TRP A 385 12.906 -22.129 2.689 1.00 0.00 N ATOM 142 CA TRP A 385 13.107 -23.005 1.529 1.00 0.00 C ATOM 143 C TRP A 385 12.969 -24.472 1.834 1.00 0.00 C ATOM 144 O TRP A 385 12.450 -25.174 0.993 1.00 0.00 O ATOM 145 CB TRP A 385 14.453 -22.859 0.817 1.00 0.00 C ATOM 146 CG TRP A 385 15.545 -22.283 1.632 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.836 -20.985 1.567 1.00 0.00 C ATOM 148 CD2 TRP A 385 16.467 -22.868 2.594 1.00 0.00 C ATOM 149 NE1 TRP A 385 16.879 -20.684 2.416 1.00 0.00 N ATOM 150 CE2 TRP A 385 17.307 -21.821 3.081 1.00 0.00 C ATOM 151 CE3 TRP A 385 16.684 -24.164 3.109 1.00 0.00 C ATOM 152 CZ2 TRP A 385 18.311 -22.055 4.033 1.00 0.00 C ATOM 153 CZ3 TRP A 385 17.686 -24.407 4.064 1.00 0.00 C ATOM 154 CH2 TRP A 385 18.498 -23.356 4.527 1.00 0.00 C ATOM 0 H TRP A 385 13.574 -21.360 2.736 1.00 0.00 H new ATOM 0 HA TRP A 385 12.305 -22.657 0.879 1.00 0.00 H new ATOM 0 HB2 TRP A 385 14.766 -23.842 0.464 1.00 0.00 H new ATOM 0 HB3 TRP A 385 14.312 -22.233 -0.064 1.00 0.00 H new ATOM 0 HD1 TRP A 385 15.327 -20.270 0.938 1.00 0.00 H new ATOM 0 HE1 TRP A 385 17.280 -19.754 2.538 1.00 0.00 H new ATOM 0 HE3 TRP A 385 16.070 -24.982 2.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 18.933 -21.244 4.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 17.833 -25.407 4.445 1.00 0.00 H new ATOM 0 HH2 TRP A 385 19.265 -23.550 5.262 1.00 0.00 H new ATOM 165 N GLU A 386 13.424 -24.980 2.973 1.00 0.00 N ATOM 166 CA GLU A 386 13.265 -26.411 3.177 1.00 0.00 C ATOM 167 C GLU A 386 11.796 -26.807 2.996 1.00 0.00 C ATOM 168 O GLU A 386 11.476 -27.667 2.175 1.00 0.00 O ATOM 169 CB GLU A 386 13.849 -26.830 4.532 1.00 0.00 C ATOM 170 CG GLU A 386 13.963 -28.353 4.646 1.00 0.00 C ATOM 171 CD GLU A 386 14.473 -28.772 6.022 1.00 0.00 C ATOM 172 OE1 GLU A 386 15.537 -28.247 6.415 1.00 0.00 O ATOM 173 OE2 GLU A 386 13.790 -29.609 6.652 1.00 0.00 O ATOM 0 H GLU A 386 13.878 -24.461 3.725 1.00 0.00 H new ATOM 0 HA GLU A 386 13.831 -26.957 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 386 14.833 -26.380 4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 386 13.217 -26.450 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 386 12.989 -28.807 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 386 14.638 -28.727 3.877 1.00 0.00 H new ATOM 180 N GLU A 387 10.908 -26.135 3.723 1.00 0.00 N ATOM 181 CA GLU A 387 9.485 -26.372 3.636 1.00 0.00 C ATOM 182 C GLU A 387 8.895 -25.826 2.329 1.00 0.00 C ATOM 183 O GLU A 387 8.205 -26.556 1.626 1.00 0.00 O ATOM 184 CB GLU A 387 8.813 -25.790 4.874 1.00 0.00 C ATOM 185 CG GLU A 387 9.415 -26.358 6.163 1.00 0.00 C ATOM 186 CD GLU A 387 8.463 -26.152 7.329 1.00 0.00 C ATOM 187 OE1 GLU A 387 8.029 -24.998 7.534 1.00 0.00 O ATOM 188 OE2 GLU A 387 8.147 -27.160 7.999 1.00 0.00 O ATOM 0 H GLU A 387 11.165 -25.408 4.391 1.00 0.00 H new ATOM 0 HA GLU A 387 9.296 -27.445 3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 387 8.919 -24.705 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.745 -26.006 4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.622 -27.421 6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.367 -25.871 6.372 1.00 0.00 H new ATOM 195 N ASP A 388 9.147 -24.558 1.981 1.00 0.00 N ATOM 196 CA ASP A 388 8.627 -23.947 0.758 1.00 0.00 C ATOM 197 C ASP A 388 9.006 -24.743 -0.493 1.00 0.00 C ATOM 198 O ASP A 388 8.157 -25.011 -1.342 1.00 0.00 O ATOM 199 CB ASP A 388 9.152 -22.511 0.608 1.00 0.00 C ATOM 200 CG ASP A 388 8.347 -21.509 1.414 1.00 0.00 C ATOM 201 OD1 ASP A 388 7.350 -21.002 0.853 1.00 0.00 O ATOM 202 OD2 ASP A 388 8.713 -21.268 2.582 1.00 0.00 O ATOM 0 H ASP A 388 9.719 -23.928 2.543 1.00 0.00 H new ATOM 0 HA ASP A 388 7.541 -23.943 0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 388 10.194 -22.474 0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 388 9.129 -22.228 -0.444 1.00 0.00 H new ATOM 207 N LYS A 389 10.284 -25.112 -0.611 1.00 0.00 N ATOM 208 CA LYS A 389 10.816 -25.856 -1.739 1.00 0.00 C ATOM 209 C LYS A 389 10.159 -27.240 -1.745 1.00 0.00 C ATOM 210 O LYS A 389 9.667 -27.668 -2.787 1.00 0.00 O ATOM 211 CB LYS A 389 12.355 -25.911 -1.658 1.00 0.00 C ATOM 212 CG LYS A 389 12.994 -26.594 -2.875 1.00 0.00 C ATOM 213 CD LYS A 389 14.422 -27.090 -2.581 1.00 0.00 C ATOM 214 CE LYS A 389 14.561 -28.021 -1.360 1.00 0.00 C ATOM 215 NZ LYS A 389 13.512 -29.061 -1.299 1.00 0.00 N ATOM 0 H LYS A 389 10.987 -24.893 0.095 1.00 0.00 H new ATOM 0 HA LYS A 389 10.584 -25.367 -2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.745 -24.897 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.647 -26.444 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 389 12.375 -27.437 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 389 13.019 -25.894 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 389 14.794 -27.615 -3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 389 15.066 -26.223 -2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 389 15.539 -28.502 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 389 14.525 -27.423 -0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 13.167 -29.149 -0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 12.723 -28.795 -1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 13.907 -29.971 -1.610 1.00 0.00 H new ATOM 229 N ASN A 390 10.139 -27.935 -0.595 1.00 0.00 N ATOM 230 CA ASN A 390 9.517 -29.254 -0.478 1.00 0.00 C ATOM 231 C ASN A 390 8.064 -29.225 -0.956 1.00 0.00 C ATOM 232 O ASN A 390 7.664 -30.049 -1.775 1.00 0.00 O ATOM 233 CB ASN A 390 9.557 -29.739 0.980 1.00 0.00 C ATOM 234 CG ASN A 390 10.894 -30.362 1.380 1.00 0.00 C ATOM 235 OD1 ASN A 390 11.878 -30.279 0.643 1.00 0.00 O ATOM 236 ND2 ASN A 390 10.938 -31.010 2.546 1.00 0.00 N ATOM 0 H ASN A 390 10.553 -27.595 0.273 1.00 0.00 H new ATOM 0 HA ASN A 390 10.082 -29.940 -1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 390 9.345 -28.898 1.640 1.00 0.00 H new ATOM 0 HB3 ASN A 390 8.764 -30.471 1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 390 11.804 -31.455 2.850 1.00 0.00 H new ATOM 0 HD22 ASN A 390 10.105 -31.060 3.133 1.00 0.00 H new ATOM 243 N LEU A 391 7.279 -28.277 -0.436 1.00 0.00 N ATOM 244 CA LEU A 391 5.874 -28.101 -0.760 1.00 0.00 C ATOM 245 C LEU A 391 5.691 -27.829 -2.250 1.00 0.00 C ATOM 246 O LEU A 391 4.898 -28.508 -2.902 1.00 0.00 O ATOM 247 CB LEU A 391 5.293 -26.974 0.106 1.00 0.00 C ATOM 248 CG LEU A 391 3.807 -26.700 -0.165 1.00 0.00 C ATOM 249 CD1 LEU A 391 2.936 -27.943 0.038 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.321 -25.566 0.746 1.00 0.00 C ATOM 0 H LEU A 391 7.620 -27.595 0.241 1.00 0.00 H new ATOM 0 HA LEU A 391 5.330 -29.019 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.421 -27.231 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 391 5.861 -26.061 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 391 3.712 -26.409 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 391 1.894 -27.695 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.262 -28.730 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.031 -28.290 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.266 -25.371 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.452 -25.855 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 391 3.899 -24.664 0.544 1.00 0.00 H new ATOM 262 N ARG A 392 6.420 -26.844 -2.794 1.00 0.00 N ATOM 263 CA ARG A 392 6.328 -26.500 -4.205 1.00 0.00 C ATOM 264 C ARG A 392 6.619 -27.730 -5.063 1.00 0.00 C ATOM 265 O ARG A 392 5.884 -27.999 -6.010 1.00 0.00 O ATOM 266 CB ARG A 392 7.249 -25.321 -4.546 1.00 0.00 C ATOM 267 CG ARG A 392 6.877 -24.725 -5.913 1.00 0.00 C ATOM 268 CD ARG A 392 7.744 -23.510 -6.262 1.00 0.00 C ATOM 269 NE ARG A 392 9.110 -23.903 -6.642 1.00 0.00 N ATOM 270 CZ ARG A 392 9.490 -24.312 -7.866 1.00 0.00 C ATOM 271 NH1 ARG A 392 8.607 -24.388 -8.872 1.00 0.00 N ATOM 272 NH2 ARG A 392 10.770 -24.647 -8.082 1.00 0.00 N ATOM 0 H ARG A 392 7.081 -26.273 -2.268 1.00 0.00 H new ATOM 0 HA ARG A 392 5.311 -26.175 -4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 392 7.169 -24.555 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.287 -25.654 -4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 392 6.992 -25.486 -6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 392 5.827 -24.432 -5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 392 7.283 -22.959 -7.082 1.00 0.00 H new ATOM 0 HD3 ARG A 392 7.785 -22.835 -5.407 1.00 0.00 H new ATOM 0 HE ARG A 392 9.828 -23.862 -5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 392 7.632 -24.134 -8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 392 8.910 -24.700 -9.794 1.00 0.00 H new ATOM 0 HH21 ARG A 392 11.447 -24.591 -7.321 1.00 0.00 H new ATOM 0 HH22 ARG A 392 11.067 -24.958 -9.007 1.00 0.00 H new ATOM 286 N SER A 393 7.673 -28.483 -4.721 1.00 0.00 N ATOM 287 CA SER A 393 8.045 -29.700 -5.428 1.00 0.00 C ATOM 288 C SER A 393 6.909 -30.724 -5.349 1.00 0.00 C ATOM 289 O SER A 393 6.548 -31.325 -6.358 1.00 0.00 O ATOM 290 CB SER A 393 9.340 -30.284 -4.852 1.00 0.00 C ATOM 291 OG SER A 393 10.385 -29.334 -4.909 1.00 0.00 O ATOM 0 H SER A 393 8.290 -28.257 -3.941 1.00 0.00 H new ATOM 0 HA SER A 393 8.220 -29.455 -6.476 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.178 -30.592 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.622 -31.177 -5.410 1.00 0.00 H new ATOM 0 HG SER A 393 10.268 -28.676 -4.193 1.00 0.00 H new ATOM 297 N GLY A 394 6.344 -30.911 -4.149 1.00 0.00 N ATOM 298 CA GLY A 394 5.251 -31.829 -3.888 1.00 0.00 C ATOM 299 C GLY A 394 4.063 -31.549 -4.801 1.00 0.00 C ATOM 300 O GLY A 394 3.632 -32.431 -5.543 1.00 0.00 O ATOM 0 H GLY A 394 6.651 -30.409 -3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 394 5.591 -32.854 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 394 4.941 -31.742 -2.847 1.00 0.00 H new ATOM 304 N VAL A 395 3.538 -30.319 -4.758 1.00 0.00 N ATOM 305 CA VAL A 395 2.409 -29.934 -5.593 1.00 0.00 C ATOM 306 C VAL A 395 2.795 -30.046 -7.069 1.00 0.00 C ATOM 307 O VAL A 395 2.014 -30.550 -7.866 1.00 0.00 O ATOM 308 CB VAL A 395 1.894 -28.532 -5.232 1.00 0.00 C ATOM 309 CG1 VAL A 395 0.716 -28.160 -6.146 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.401 -28.494 -3.780 1.00 0.00 C ATOM 0 H VAL A 395 3.883 -29.576 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 395 1.583 -30.620 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 395 2.716 -27.827 -5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.354 -27.165 -5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.045 -28.167 -7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -0.088 -28.884 -6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.041 -27.493 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 395 0.590 -29.211 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.222 -28.751 -3.110 1.00 0.00 H new ATOM 320 N ARG A 396 3.995 -29.599 -7.450 1.00 0.00 N ATOM 321 CA ARG A 396 4.440 -29.692 -8.833 1.00 0.00 C ATOM 322 C ARG A 396 4.399 -31.133 -9.346 1.00 0.00 C ATOM 323 O ARG A 396 4.007 -31.367 -10.489 1.00 0.00 O ATOM 324 CB ARG A 396 5.863 -29.128 -8.980 1.00 0.00 C ATOM 325 CG ARG A 396 5.856 -27.632 -9.322 1.00 0.00 C ATOM 326 CD ARG A 396 5.949 -27.432 -10.840 1.00 0.00 C ATOM 327 NE ARG A 396 4.938 -28.222 -11.560 1.00 0.00 N ATOM 328 CZ ARG A 396 5.166 -28.949 -12.665 1.00 0.00 C ATOM 329 NH1 ARG A 396 6.198 -28.660 -13.464 1.00 0.00 N ATOM 330 NH2 ARG A 396 4.362 -29.981 -12.953 1.00 0.00 N ATOM 0 H ARG A 396 4.671 -29.171 -6.817 1.00 0.00 H new ATOM 0 HA ARG A 396 3.752 -29.099 -9.435 1.00 0.00 H new ATOM 0 HB2 ARG A 396 6.413 -29.285 -8.052 1.00 0.00 H new ATOM 0 HB3 ARG A 396 6.391 -29.676 -9.760 1.00 0.00 H new ATOM 0 HG2 ARG A 396 4.945 -27.170 -8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 396 6.693 -27.136 -8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 396 5.820 -26.376 -11.076 1.00 0.00 H new ATOM 0 HD3 ARG A 396 6.944 -27.716 -11.183 1.00 0.00 H new ATOM 0 HE ARG A 396 3.988 -28.217 -11.190 1.00 0.00 H new ATOM 0 HH11 ARG A 396 6.818 -27.883 -13.235 1.00 0.00 H new ATOM 0 HH12 ARG A 396 6.366 -29.217 -14.302 1.00 0.00 H new ATOM 0 HH21 ARG A 396 3.584 -30.209 -12.335 1.00 0.00 H new ATOM 0 HH22 ARG A 396 4.528 -30.539 -13.791 1.00 0.00 H new ATOM 344 N LYS A 397 4.822 -32.078 -8.503 1.00 0.00 N ATOM 345 CA LYS A 397 4.892 -33.490 -8.830 1.00 0.00 C ATOM 346 C LYS A 397 3.545 -34.205 -8.854 1.00 0.00 C ATOM 347 O LYS A 397 3.236 -34.876 -9.837 1.00 0.00 O ATOM 348 CB LYS A 397 5.834 -34.197 -7.840 1.00 0.00 C ATOM 349 CG LYS A 397 7.309 -33.817 -8.035 1.00 0.00 C ATOM 350 CD LYS A 397 8.099 -34.865 -8.833 1.00 0.00 C ATOM 351 CE LYS A 397 7.554 -35.075 -10.252 1.00 0.00 C ATOM 352 NZ LYS A 397 8.383 -36.022 -11.022 1.00 0.00 N ATOM 0 H LYS A 397 5.131 -31.870 -7.553 1.00 0.00 H new ATOM 0 HA LYS A 397 5.273 -33.544 -9.850 1.00 0.00 H new ATOM 0 HB2 LYS A 397 5.533 -33.950 -6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 397 5.725 -35.276 -7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 397 7.366 -32.858 -8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 397 7.776 -33.684 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 397 9.143 -34.557 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 397 8.077 -35.814 -8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 397 6.531 -35.448 -10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 397 7.517 -34.118 -10.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 7.983 -36.138 -11.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 9.353 -35.654 -11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 8.398 -36.943 -10.539 1.00 0.00 H new ATOM 366 N TYR A 398 2.781 -34.109 -7.765 1.00 0.00 N ATOM 367 CA TYR A 398 1.526 -34.836 -7.605 1.00 0.00 C ATOM 368 C TYR A 398 0.273 -33.988 -7.827 1.00 0.00 C ATOM 369 O TYR A 398 -0.742 -34.511 -8.281 1.00 0.00 O ATOM 370 CB TYR A 398 1.517 -35.463 -6.201 1.00 0.00 C ATOM 371 CG TYR A 398 2.876 -35.935 -5.714 1.00 0.00 C ATOM 372 CD1 TYR A 398 3.595 -36.911 -6.431 1.00 0.00 C ATOM 373 CD2 TYR A 398 3.430 -35.383 -4.545 1.00 0.00 C ATOM 374 CE1 TYR A 398 4.859 -37.327 -5.977 1.00 0.00 C ATOM 375 CE2 TYR A 398 4.692 -35.798 -4.092 1.00 0.00 C ATOM 376 CZ TYR A 398 5.407 -36.771 -4.809 1.00 0.00 C ATOM 377 OH TYR A 398 6.635 -37.176 -4.374 1.00 0.00 O ATOM 0 H TYR A 398 3.019 -33.521 -6.966 1.00 0.00 H new ATOM 0 HA TYR A 398 1.485 -35.598 -8.383 1.00 0.00 H new ATOM 0 HB2 TYR A 398 1.125 -34.733 -5.493 1.00 0.00 H new ATOM 0 HB3 TYR A 398 0.830 -36.309 -6.199 1.00 0.00 H new ATOM 0 HD1 TYR A 398 3.176 -37.340 -7.329 1.00 0.00 H new ATOM 0 HD2 TYR A 398 2.881 -34.635 -3.992 1.00 0.00 H new ATOM 0 HE1 TYR A 398 5.410 -38.075 -6.527 1.00 0.00 H new ATOM 0 HE2 TYR A 398 5.112 -35.370 -3.194 1.00 0.00 H new ATOM 0 HH TYR A 398 6.867 -36.693 -3.553 1.00 0.00 H new ATOM 387 N GLY A 399 0.339 -32.696 -7.494 1.00 0.00 N ATOM 388 CA GLY A 399 -0.785 -31.769 -7.599 1.00 0.00 C ATOM 389 C GLY A 399 -1.418 -31.533 -6.226 1.00 0.00 C ATOM 390 O GLY A 399 -1.060 -32.190 -5.249 1.00 0.00 O ATOM 0 H GLY A 399 1.190 -32.260 -7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.444 -30.821 -8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.531 -32.170 -8.285 1.00 0.00 H new ATOM 394 N GLU A 400 -2.372 -30.595 -6.150 1.00 0.00 N ATOM 395 CA GLU A 400 -3.083 -30.298 -4.914 1.00 0.00 C ATOM 396 C GLU A 400 -3.966 -31.488 -4.516 1.00 0.00 C ATOM 397 O GLU A 400 -4.146 -32.432 -5.283 1.00 0.00 O ATOM 398 CB GLU A 400 -3.914 -29.012 -5.064 1.00 0.00 C ATOM 399 CG GLU A 400 -3.039 -27.748 -5.110 1.00 0.00 C ATOM 400 CD GLU A 400 -2.779 -27.223 -6.514 1.00 0.00 C ATOM 401 OE1 GLU A 400 -2.589 -28.059 -7.422 1.00 0.00 O ATOM 402 OE2 GLU A 400 -2.772 -25.975 -6.644 1.00 0.00 O ATOM 0 H GLU A 400 -2.667 -30.027 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.356 -30.132 -4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -4.509 -29.072 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.613 -28.936 -4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.520 -26.965 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.084 -27.963 -4.631 1.00 0.00 H new ATOM 409 N GLY A 401 -4.512 -31.442 -3.298 1.00 0.00 N ATOM 410 CA GLY A 401 -5.354 -32.503 -2.771 1.00 0.00 C ATOM 411 C GLY A 401 -4.567 -33.790 -2.535 1.00 0.00 C ATOM 412 O GLY A 401 -5.125 -34.881 -2.634 1.00 0.00 O ATOM 0 H GLY A 401 -4.378 -30.663 -2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.806 -32.177 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -6.170 -32.699 -3.467 1.00 0.00 H new ATOM 416 N ASN A 402 -3.272 -33.653 -2.222 1.00 0.00 N ATOM 417 CA ASN A 402 -2.347 -34.744 -1.940 1.00 0.00 C ATOM 418 C ASN A 402 -1.461 -34.317 -0.761 1.00 0.00 C ATOM 419 O ASN A 402 -0.308 -34.727 -0.688 1.00 0.00 O ATOM 420 CB ASN A 402 -1.438 -35.017 -3.158 1.00 0.00 C ATOM 421 CG ASN A 402 -2.105 -35.313 -4.502 1.00 0.00 C ATOM 422 OD1 ASN A 402 -1.478 -35.133 -5.539 1.00 0.00 O ATOM 423 ND2 ASN A 402 -3.345 -35.792 -4.535 1.00 0.00 N ATOM 0 H ASN A 402 -2.827 -32.737 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 402 -2.912 -35.648 -1.712 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -0.790 -34.151 -3.291 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -0.795 -35.862 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -3.783 -36.013 -5.429 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -3.859 -35.938 -3.666 1.00 0.00 H new ATOM 430 N TRP A 403 -1.964 -33.471 0.143 1.00 0.00 N ATOM 431 CA TRP A 403 -1.205 -32.918 1.264 1.00 0.00 C ATOM 432 C TRP A 403 -0.617 -33.994 2.174 1.00 0.00 C ATOM 433 O TRP A 403 0.580 -33.975 2.452 1.00 0.00 O ATOM 434 CB TRP A 403 -2.049 -31.881 2.005 1.00 0.00 C ATOM 435 CG TRP A 403 -2.835 -31.013 1.078 1.00 0.00 C ATOM 436 CD1 TRP A 403 -4.173 -31.055 0.896 1.00 0.00 C ATOM 437 CD2 TRP A 403 -2.336 -29.984 0.180 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.538 -30.125 -0.053 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.445 -29.436 -0.526 1.00 0.00 C ATOM 440 CE3 TRP A 403 -1.060 -29.460 -0.114 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -3.301 -28.418 -1.475 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.903 -28.437 -1.065 1.00 0.00 C ATOM 443 CH2 TRP A 403 -2.019 -27.921 -1.741 1.00 0.00 C ATOM 0 H TRP A 403 -2.930 -33.146 0.114 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.332 -32.403 0.864 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.731 -32.392 2.685 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.397 -31.257 2.616 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.852 -31.716 1.414 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.496 -29.967 -0.365 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -0.193 -29.850 0.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -4.162 -28.023 -1.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.081 -28.046 -1.276 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.889 -27.136 -2.471 1.00 0.00 H new ATOM 454 N SER A 404 -1.446 -34.942 2.614 1.00 0.00 N ATOM 455 CA SER A 404 -1.026 -36.067 3.446 1.00 0.00 C ATOM 456 C SER A 404 0.126 -36.803 2.753 1.00 0.00 C ATOM 457 O SER A 404 1.139 -37.137 3.365 1.00 0.00 O ATOM 458 CB SER A 404 -2.247 -36.978 3.700 1.00 0.00 C ATOM 459 OG SER A 404 -1.917 -38.350 3.830 1.00 0.00 O ATOM 0 H SER A 404 -2.443 -34.948 2.398 1.00 0.00 H new ATOM 0 HA SER A 404 -0.657 -35.728 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.753 -36.648 4.607 1.00 0.00 H new ATOM 0 HB3 SER A 404 -2.954 -36.860 2.879 1.00 0.00 H new ATOM 0 HG SER A 404 -2.550 -38.782 4.441 1.00 0.00 H new ATOM 465 N LYS A 405 -0.032 -37.048 1.451 1.00 0.00 N ATOM 466 CA LYS A 405 0.953 -37.753 0.647 1.00 0.00 C ATOM 467 C LYS A 405 2.254 -36.950 0.598 1.00 0.00 C ATOM 468 O LYS A 405 3.324 -37.503 0.840 1.00 0.00 O ATOM 469 CB LYS A 405 0.368 -38.093 -0.734 1.00 0.00 C ATOM 470 CG LYS A 405 -1.128 -38.477 -0.705 1.00 0.00 C ATOM 471 CD LYS A 405 -1.491 -39.533 0.359 1.00 0.00 C ATOM 472 CE LYS A 405 -2.992 -39.517 0.697 1.00 0.00 C ATOM 473 NZ LYS A 405 -3.260 -40.133 2.013 1.00 0.00 N ATOM 0 H LYS A 405 -0.857 -36.758 0.926 1.00 0.00 H new ATOM 0 HA LYS A 405 1.205 -38.710 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.500 -37.236 -1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 405 0.936 -38.918 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -1.718 -37.579 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -1.413 -38.854 -1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -1.211 -40.523 -0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -0.913 -39.349 1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -3.355 -38.489 0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -3.545 -40.052 -0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -4.285 -40.151 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -2.890 -41.105 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -2.793 -39.577 2.758 1.00 0.00 H new ATOM 487 N ILE A 406 2.158 -35.647 0.317 1.00 0.00 N ATOM 488 CA ILE A 406 3.278 -34.716 0.270 1.00 0.00 C ATOM 489 C ILE A 406 4.018 -34.755 1.608 1.00 0.00 C ATOM 490 O ILE A 406 5.244 -34.764 1.614 1.00 0.00 O ATOM 491 CB ILE A 406 2.779 -33.307 -0.120 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.443 -33.290 -1.622 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.814 -32.220 0.206 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.609 -32.080 -2.059 1.00 0.00 C ATOM 0 H ILE A 406 1.265 -35.201 0.109 1.00 0.00 H new ATOM 0 HA ILE A 406 3.993 -35.007 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 406 1.887 -33.085 0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.372 -33.303 -2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.901 -34.202 -1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.422 -31.245 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 406 4.021 -32.224 1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.735 -32.419 -0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.414 -32.140 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.663 -32.075 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.156 -31.163 -1.841 1.00 0.00 H new ATOM 506 N LEU A 407 3.286 -34.805 2.729 1.00 0.00 N ATOM 507 CA LEU A 407 3.854 -34.894 4.070 1.00 0.00 C ATOM 508 C LEU A 407 4.704 -36.171 4.154 1.00 0.00 C ATOM 509 O LEU A 407 5.834 -36.148 4.639 1.00 0.00 O ATOM 510 CB LEU A 407 2.712 -34.887 5.104 1.00 0.00 C ATOM 511 CG LEU A 407 3.095 -34.459 6.532 1.00 0.00 C ATOM 512 CD1 LEU A 407 1.847 -34.575 7.417 1.00 0.00 C ATOM 513 CD2 LEU A 407 4.210 -35.308 7.152 1.00 0.00 C ATOM 0 H LEU A 407 2.266 -34.784 2.723 1.00 0.00 H new ATOM 0 HA LEU A 407 4.497 -34.041 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 407 1.928 -34.221 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 407 2.284 -35.888 5.149 1.00 0.00 H new ATOM 0 HG LEU A 407 3.471 -33.438 6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 407 2.094 -34.276 8.436 1.00 0.00 H new ATOM 0 HD12 LEU A 407 1.064 -33.925 7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 407 1.495 -35.607 7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 407 4.425 -34.947 8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 407 3.890 -36.349 7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 407 5.108 -35.232 6.539 1.00 0.00 H new ATOM 525 N LEU A 408 4.175 -37.302 3.671 1.00 0.00 N ATOM 526 CA LEU A 408 4.919 -38.556 3.694 1.00 0.00 C ATOM 527 C LEU A 408 6.147 -38.504 2.782 1.00 0.00 C ATOM 528 O LEU A 408 7.210 -38.992 3.165 1.00 0.00 O ATOM 529 CB LEU A 408 4.016 -39.755 3.356 1.00 0.00 C ATOM 530 CG LEU A 408 3.351 -40.398 4.587 1.00 0.00 C ATOM 531 CD1 LEU A 408 2.350 -39.472 5.284 1.00 0.00 C ATOM 532 CD2 LEU A 408 2.626 -41.681 4.159 1.00 0.00 C ATOM 0 H LEU A 408 3.242 -37.369 3.264 1.00 0.00 H new ATOM 0 HA LEU A 408 5.280 -38.696 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 408 3.240 -39.430 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 408 4.608 -40.510 2.839 1.00 0.00 H new ATOM 0 HG LEU A 408 4.146 -40.611 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 408 1.917 -39.985 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 408 2.862 -38.570 5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 408 1.558 -39.201 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 408 2.154 -42.139 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 408 1.864 -41.439 3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 408 3.344 -42.378 3.727 1.00 0.00 H new ATOM 544 N HIS A 409 6.029 -37.922 1.586 1.00 0.00 N ATOM 545 CA HIS A 409 7.147 -37.833 0.661 1.00 0.00 C ATOM 546 C HIS A 409 8.238 -36.908 1.212 1.00 0.00 C ATOM 547 O HIS A 409 9.368 -37.341 1.437 1.00 0.00 O ATOM 548 CB HIS A 409 6.663 -37.333 -0.710 1.00 0.00 C ATOM 549 CG HIS A 409 5.746 -38.275 -1.451 1.00 0.00 C ATOM 550 ND1 HIS A 409 6.143 -39.534 -1.874 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.440 -38.154 -1.865 1.00 0.00 C ATOM 552 CE1 HIS A 409 5.094 -40.094 -2.502 1.00 0.00 C ATOM 553 NE2 HIS A 409 4.022 -39.301 -2.531 1.00 0.00 N ATOM 0 H HIS A 409 5.164 -37.506 1.240 1.00 0.00 H new ATOM 0 HA HIS A 409 7.574 -38.829 0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.146 -36.383 -0.571 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.534 -37.134 -1.334 1.00 0.00 H new ATOM 0 HD2 HIS A 409 3.822 -37.285 -1.696 1.00 0.00 H new ATOM 0 HE1 HIS A 409 5.117 -41.082 -2.937 1.00 0.00 H new ATOM 0 HE2 HIS A 409 3.109 -39.491 -2.945 1.00 0.00 H new ATOM 561 N TYR A 410 7.887 -35.636 1.413 1.00 0.00 N ATOM 562 CA TYR A 410 8.748 -34.563 1.882 1.00 0.00 C ATOM 563 C TYR A 410 8.413 -34.224 3.328 1.00 0.00 C ATOM 564 O TYR A 410 7.248 -34.043 3.662 1.00 0.00 O ATOM 565 CB TYR A 410 8.509 -33.319 1.025 1.00 0.00 C ATOM 566 CG TYR A 410 8.808 -33.452 -0.455 1.00 0.00 C ATOM 567 CD1 TYR A 410 10.101 -33.179 -0.936 1.00 0.00 C ATOM 568 CD2 TYR A 410 7.794 -33.842 -1.350 1.00 0.00 C ATOM 569 CE1 TYR A 410 10.381 -33.293 -2.309 1.00 0.00 C ATOM 570 CE2 TYR A 410 8.076 -33.958 -2.722 1.00 0.00 C ATOM 571 CZ TYR A 410 9.367 -33.683 -3.201 1.00 0.00 C ATOM 572 OH TYR A 410 9.631 -33.795 -4.535 1.00 0.00 O ATOM 0 H TYR A 410 6.935 -35.314 1.240 1.00 0.00 H new ATOM 0 HA TYR A 410 9.788 -34.883 1.810 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.466 -33.022 1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 410 9.117 -32.507 1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.880 -32.881 -0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 410 6.800 -34.052 -0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 410 11.374 -33.081 -2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 410 7.299 -34.259 -3.409 1.00 0.00 H new ATOM 0 HH TYR A 410 8.819 -34.075 -5.007 1.00 0.00 H new ATOM 582 N LYS A 411 9.432 -34.139 4.187 1.00 0.00 N ATOM 583 CA LYS A 411 9.237 -33.846 5.596 1.00 0.00 C ATOM 584 C LYS A 411 9.060 -32.340 5.817 1.00 0.00 C ATOM 585 O LYS A 411 9.443 -31.525 4.976 1.00 0.00 O ATOM 586 CB LYS A 411 10.368 -34.465 6.443 1.00 0.00 C ATOM 587 CG LYS A 411 10.003 -35.841 7.042 1.00 0.00 C ATOM 588 CD LYS A 411 10.326 -37.085 6.195 1.00 0.00 C ATOM 589 CE LYS A 411 9.676 -37.087 4.805 1.00 0.00 C ATOM 590 NZ LYS A 411 9.672 -38.420 4.182 1.00 0.00 N ATOM 0 H LYS A 411 10.408 -34.272 3.920 1.00 0.00 H new ATOM 0 HA LYS A 411 8.313 -34.313 5.936 1.00 0.00 H new ATOM 0 HB2 LYS A 411 11.259 -34.571 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.622 -33.781 7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 411 10.517 -35.940 7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 411 8.934 -35.845 7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 411 11.407 -37.160 6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 411 10.001 -37.974 6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 411 8.651 -36.726 4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.209 -36.390 4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 8.803 -38.539 3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 10.500 -38.515 3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 9.710 -39.149 4.922 1.00 0.00 H new ATOM 604 N PHE A 412 8.453 -32.010 6.961 1.00 0.00 N ATOM 605 CA PHE A 412 8.131 -30.667 7.418 1.00 0.00 C ATOM 606 C PHE A 412 8.137 -30.659 8.948 1.00 0.00 C ATOM 607 O PHE A 412 8.191 -31.717 9.576 1.00 0.00 O ATOM 608 CB PHE A 412 6.720 -30.297 6.941 1.00 0.00 C ATOM 609 CG PHE A 412 6.522 -30.203 5.444 1.00 0.00 C ATOM 610 CD1 PHE A 412 6.739 -28.978 4.793 1.00 0.00 C ATOM 611 CD2 PHE A 412 6.117 -31.327 4.701 1.00 0.00 C ATOM 612 CE1 PHE A 412 6.550 -28.877 3.406 1.00 0.00 C ATOM 613 CE2 PHE A 412 5.930 -31.222 3.311 1.00 0.00 C ATOM 614 CZ PHE A 412 6.144 -29.995 2.660 1.00 0.00 C ATOM 0 H PHE A 412 8.158 -32.722 7.629 1.00 0.00 H new ATOM 0 HA PHE A 412 8.859 -29.957 7.025 1.00 0.00 H new ATOM 0 HB2 PHE A 412 6.021 -31.036 7.333 1.00 0.00 H new ATOM 0 HB3 PHE A 412 6.450 -29.338 7.383 1.00 0.00 H new ATOM 0 HD1 PHE A 412 7.051 -28.113 5.360 1.00 0.00 H new ATOM 0 HD2 PHE A 412 5.950 -32.271 5.198 1.00 0.00 H new ATOM 0 HE1 PHE A 412 6.718 -27.933 2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 412 5.621 -32.087 2.742 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.997 -29.913 1.593 1.00 0.00 H new ATOM 624 N ASN A 413 8.051 -29.467 9.549 1.00 0.00 N ATOM 625 CA ASN A 413 8.017 -29.270 10.993 1.00 0.00 C ATOM 626 C ASN A 413 6.619 -29.588 11.536 1.00 0.00 C ATOM 627 O ASN A 413 5.923 -28.706 12.034 1.00 0.00 O ATOM 628 CB ASN A 413 8.424 -27.830 11.345 1.00 0.00 C ATOM 629 CG ASN A 413 9.898 -27.546 11.080 1.00 0.00 C ATOM 630 OD1 ASN A 413 10.685 -27.448 12.019 1.00 0.00 O ATOM 631 ND2 ASN A 413 10.277 -27.395 9.812 1.00 0.00 N ATOM 0 H ASN A 413 8.002 -28.593 9.026 1.00 0.00 H new ATOM 0 HA ASN A 413 8.731 -29.950 11.459 1.00 0.00 H new ATOM 0 HB2 ASN A 413 7.816 -27.135 10.766 1.00 0.00 H new ATOM 0 HB3 ASN A 413 8.207 -27.644 12.397 1.00 0.00 H new ATOM 0 HD21 ASN A 413 11.252 -27.190 9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 413 9.593 -27.484 9.061 1.00 0.00 H new ATOM 638 N ASN A 414 6.208 -30.858 11.436 1.00 0.00 N ATOM 639 CA ASN A 414 4.916 -31.359 11.901 1.00 0.00 C ATOM 640 C ASN A 414 3.733 -30.616 11.262 1.00 0.00 C ATOM 641 O ASN A 414 2.726 -30.349 11.915 1.00 0.00 O ATOM 642 CB ASN A 414 4.880 -31.345 13.441 1.00 0.00 C ATOM 643 CG ASN A 414 3.679 -32.088 14.026 1.00 0.00 C ATOM 644 OD1 ASN A 414 2.865 -31.503 14.737 1.00 0.00 O ATOM 645 ND2 ASN A 414 3.569 -33.388 13.754 1.00 0.00 N ATOM 0 H ASN A 414 6.786 -31.585 11.015 1.00 0.00 H new ATOM 0 HA ASN A 414 4.804 -32.392 11.573 1.00 0.00 H new ATOM 0 HB2 ASN A 414 5.797 -31.794 13.823 1.00 0.00 H new ATOM 0 HB3 ASN A 414 4.863 -30.312 13.787 1.00 0.00 H new ATOM 0 HD21 ASN A 414 2.793 -33.926 14.140 1.00 0.00 H new ATOM 0 HD22 ASN A 414 4.261 -33.845 13.160 1.00 0.00 H new ATOM 652 N ARG A 415 3.845 -30.290 9.970 1.00 0.00 N ATOM 653 CA ARG A 415 2.790 -29.610 9.233 1.00 0.00 C ATOM 654 C ARG A 415 1.745 -30.637 8.812 1.00 0.00 C ATOM 655 O ARG A 415 2.079 -31.625 8.162 1.00 0.00 O ATOM 656 CB ARG A 415 3.350 -28.952 7.973 1.00 0.00 C ATOM 657 CG ARG A 415 3.925 -27.556 8.194 1.00 0.00 C ATOM 658 CD ARG A 415 4.962 -27.451 9.305 1.00 0.00 C ATOM 659 NE ARG A 415 5.752 -26.226 9.135 1.00 0.00 N ATOM 660 CZ ARG A 415 5.581 -25.055 9.772 1.00 0.00 C ATOM 661 NH1 ARG A 415 4.607 -24.892 10.676 1.00 0.00 N ATOM 662 NH2 ARG A 415 6.404 -24.045 9.482 1.00 0.00 N ATOM 0 H ARG A 415 4.673 -30.493 9.411 1.00 0.00 H new ATOM 0 HA ARG A 415 2.353 -28.844 9.874 1.00 0.00 H new ATOM 0 HB2 ARG A 415 4.130 -29.592 7.560 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.558 -28.892 7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 415 4.378 -27.215 7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 415 3.105 -26.874 8.418 1.00 0.00 H new ATOM 0 HD2 ARG A 415 4.468 -27.444 10.276 1.00 0.00 H new ATOM 0 HD3 ARG A 415 5.617 -28.322 9.287 1.00 0.00 H new ATOM 0 HE ARG A 415 6.515 -26.268 8.459 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.978 -25.665 10.893 1.00 0.00 H new ATOM 0 HH12 ARG A 415 4.494 -23.995 11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 415 7.143 -24.172 8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 415 6.294 -23.147 9.952 1.00 0.00 H new ATOM 676 N THR A 416 0.487 -30.391 9.173 1.00 0.00 N ATOM 677 CA THR A 416 -0.630 -31.254 8.832 1.00 0.00 C ATOM 678 C THR A 416 -1.114 -30.938 7.416 1.00 0.00 C ATOM 679 O THR A 416 -0.703 -29.937 6.821 1.00 0.00 O ATOM 680 CB THR A 416 -1.777 -30.980 9.817 1.00 0.00 C ATOM 681 OG1 THR A 416 -2.249 -29.660 9.618 1.00 0.00 O ATOM 682 CG2 THR A 416 -1.352 -31.156 11.279 1.00 0.00 C ATOM 0 H THR A 416 0.217 -29.573 9.719 1.00 0.00 H new ATOM 0 HA THR A 416 -0.317 -32.297 8.885 1.00 0.00 H new ATOM 0 HB THR A 416 -2.564 -31.708 9.621 1.00 0.00 H new ATOM 0 HG1 THR A 416 -2.868 -29.422 10.340 1.00 0.00 H new ATOM 0 HG21 THR A 416 -2.200 -30.950 11.932 1.00 0.00 H new ATOM 0 HG22 THR A 416 -1.011 -32.179 11.438 1.00 0.00 H new ATOM 0 HG23 THR A 416 -0.542 -30.464 11.508 1.00 0.00 H new ATOM 690 N SER A 417 -2.032 -31.770 6.900 1.00 0.00 N ATOM 691 CA SER A 417 -2.648 -31.540 5.602 1.00 0.00 C ATOM 692 C SER A 417 -3.246 -30.132 5.602 1.00 0.00 C ATOM 693 O SER A 417 -3.117 -29.420 4.613 1.00 0.00 O ATOM 694 CB SER A 417 -3.735 -32.583 5.307 1.00 0.00 C ATOM 695 OG SER A 417 -3.162 -33.831 4.979 1.00 0.00 O ATOM 0 H SER A 417 -2.360 -32.612 7.373 1.00 0.00 H new ATOM 0 HA SER A 417 -1.894 -31.633 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.384 -32.694 6.176 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.361 -32.238 4.484 1.00 0.00 H new ATOM 0 HG SER A 417 -3.873 -34.480 4.797 1.00 0.00 H new ATOM 701 N VAL A 418 -3.871 -29.735 6.723 1.00 0.00 N ATOM 702 CA VAL A 418 -4.464 -28.418 6.911 1.00 0.00 C ATOM 703 C VAL A 418 -3.413 -27.339 6.645 1.00 0.00 C ATOM 704 O VAL A 418 -3.636 -26.473 5.804 1.00 0.00 O ATOM 705 CB VAL A 418 -5.056 -28.267 8.330 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.670 -26.877 8.541 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.138 -29.313 8.620 1.00 0.00 C ATOM 0 H VAL A 418 -3.976 -30.341 7.537 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.283 -28.302 6.202 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.220 -28.412 9.014 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -6.076 -26.808 9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.902 -26.116 8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.469 -26.718 7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.524 -29.167 9.629 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -6.950 -29.205 7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -5.710 -30.312 8.537 1.00 0.00 H new ATOM 717 N MET A 419 -2.276 -27.378 7.355 1.00 0.00 N ATOM 718 CA MET A 419 -1.239 -26.361 7.178 1.00 0.00 C ATOM 719 C MET A 419 -0.757 -26.261 5.731 1.00 0.00 C ATOM 720 O MET A 419 -0.750 -25.173 5.158 1.00 0.00 O ATOM 721 CB MET A 419 -0.051 -26.576 8.128 1.00 0.00 C ATOM 722 CG MET A 419 -0.465 -26.726 9.594 1.00 0.00 C ATOM 723 SD MET A 419 -1.808 -25.640 10.150 1.00 0.00 S ATOM 724 CE MET A 419 -2.142 -26.387 11.756 1.00 0.00 C ATOM 0 H MET A 419 -2.056 -28.094 8.047 1.00 0.00 H new ATOM 0 HA MET A 419 -1.708 -25.411 7.434 1.00 0.00 H new ATOM 0 HB2 MET A 419 0.495 -27.467 7.819 1.00 0.00 H new ATOM 0 HB3 MET A 419 0.635 -25.734 8.036 1.00 0.00 H new ATOM 0 HG2 MET A 419 -0.766 -27.760 9.763 1.00 0.00 H new ATOM 0 HG3 MET A 419 0.409 -26.542 10.219 1.00 0.00 H new ATOM 0 HE1 MET A 419 -2.949 -25.845 12.249 1.00 0.00 H new ATOM 0 HE2 MET A 419 -2.435 -27.428 11.619 1.00 0.00 H new ATOM 0 HE3 MET A 419 -1.244 -26.341 12.373 1.00 0.00 H new ATOM 734 N LEU A 420 -0.351 -27.389 5.144 1.00 0.00 N ATOM 735 CA LEU A 420 0.150 -27.447 3.773 1.00 0.00 C ATOM 736 C LEU A 420 -0.875 -26.867 2.792 1.00 0.00 C ATOM 737 O LEU A 420 -0.551 -26.003 1.975 1.00 0.00 O ATOM 738 CB LEU A 420 0.507 -28.905 3.444 1.00 0.00 C ATOM 739 CG LEU A 420 1.696 -29.388 4.294 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.633 -30.890 4.576 1.00 0.00 C ATOM 741 CD2 LEU A 420 3.032 -29.090 3.615 1.00 0.00 C ATOM 0 H LEU A 420 -0.362 -28.295 5.613 1.00 0.00 H new ATOM 0 HA LEU A 420 1.047 -26.836 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.357 -29.544 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.753 -28.993 2.386 1.00 0.00 H new ATOM 0 HG LEU A 420 1.626 -28.840 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 420 2.493 -31.183 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.715 -31.120 5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.646 -31.438 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.848 -29.445 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 420 3.071 -29.597 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 420 3.132 -28.015 3.464 1.00 0.00 H new ATOM 753 N LYS A 421 -2.117 -27.343 2.893 1.00 0.00 N ATOM 754 CA LYS A 421 -3.253 -26.937 2.080 1.00 0.00 C ATOM 755 C LYS A 421 -3.505 -25.430 2.175 1.00 0.00 C ATOM 756 O LYS A 421 -3.485 -24.735 1.159 1.00 0.00 O ATOM 757 CB LYS A 421 -4.451 -27.781 2.544 1.00 0.00 C ATOM 758 CG LYS A 421 -5.813 -27.507 1.894 1.00 0.00 C ATOM 759 CD LYS A 421 -6.673 -26.494 2.667 1.00 0.00 C ATOM 760 CE LYS A 421 -6.950 -26.884 4.125 1.00 0.00 C ATOM 761 NZ LYS A 421 -7.991 -26.029 4.721 1.00 0.00 N ATOM 0 H LYS A 421 -2.365 -28.056 3.579 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.066 -27.116 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.206 -28.830 2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.560 -27.645 3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -5.655 -27.138 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -6.361 -28.446 1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.175 -25.525 2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -7.624 -26.372 2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -7.263 -27.927 4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -6.032 -26.801 4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -7.935 -26.086 5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.846 -25.044 4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -8.928 -26.352 4.406 1.00 0.00 H new ATOM 775 N ASP A 422 -3.756 -24.925 3.386 1.00 0.00 N ATOM 776 CA ASP A 422 -4.049 -23.515 3.610 1.00 0.00 C ATOM 777 C ASP A 422 -2.897 -22.609 3.221 1.00 0.00 C ATOM 778 O ASP A 422 -3.130 -21.523 2.691 1.00 0.00 O ATOM 779 CB ASP A 422 -4.515 -23.266 5.043 1.00 0.00 C ATOM 780 CG ASP A 422 -5.881 -23.888 5.267 1.00 0.00 C ATOM 781 OD1 ASP A 422 -6.794 -23.585 4.463 1.00 0.00 O ATOM 782 OD2 ASP A 422 -5.997 -24.699 6.207 1.00 0.00 O ATOM 0 H ASP A 422 -3.761 -25.487 4.237 1.00 0.00 H new ATOM 0 HA ASP A 422 -4.873 -23.255 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -3.796 -23.688 5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -4.559 -22.194 5.237 1.00 0.00 H new ATOM 787 N ARG A 423 -1.663 -23.045 3.462 1.00 0.00 N ATOM 788 CA ARG A 423 -0.516 -22.248 3.087 1.00 0.00 C ATOM 789 C ARG A 423 -0.468 -22.116 1.567 1.00 0.00 C ATOM 790 O ARG A 423 -0.296 -21.018 1.043 1.00 0.00 O ATOM 791 CB ARG A 423 0.763 -22.875 3.625 1.00 0.00 C ATOM 792 CG ARG A 423 1.919 -21.944 3.264 1.00 0.00 C ATOM 793 CD ARG A 423 3.133 -22.338 4.082 1.00 0.00 C ATOM 794 NE ARG A 423 4.184 -21.328 3.977 1.00 0.00 N ATOM 795 CZ ARG A 423 5.095 -21.208 3.007 1.00 0.00 C ATOM 796 NH1 ARG A 423 5.170 -22.090 2.006 1.00 0.00 N ATOM 797 NH2 ARG A 423 5.936 -20.174 3.052 1.00 0.00 N ATOM 0 H ARG A 423 -1.441 -23.934 3.909 1.00 0.00 H new ATOM 0 HA ARG A 423 -0.605 -21.253 3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 423 0.700 -23.007 4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 423 0.917 -23.863 3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 423 2.142 -22.013 2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 423 1.647 -20.908 3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 423 2.847 -22.464 5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 423 3.512 -23.300 3.737 1.00 0.00 H new ATOM 0 HE ARG A 423 4.227 -20.638 4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 423 4.522 -22.877 1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 423 5.875 -21.976 1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 423 5.874 -19.499 3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.641 -20.058 2.324 1.00 0.00 H new ATOM 811 N TRP A 424 -0.631 -23.233 0.851 1.00 0.00 N ATOM 812 CA TRP A 424 -0.623 -23.197 -0.599 1.00 0.00 C ATOM 813 C TRP A 424 -1.748 -22.291 -1.101 1.00 0.00 C ATOM 814 O TRP A 424 -1.531 -21.523 -2.032 1.00 0.00 O ATOM 815 CB TRP A 424 -0.718 -24.608 -1.166 1.00 0.00 C ATOM 816 CG TRP A 424 -0.525 -24.684 -2.646 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.508 -24.866 -3.552 1.00 0.00 C ATOM 818 CD2 TRP A 424 0.710 -24.588 -3.415 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.978 -24.902 -4.823 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.391 -24.731 -4.797 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.071 -24.398 -3.088 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.367 -24.690 -5.803 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.057 -24.359 -4.090 1.00 0.00 C ATOM 824 CH2 TRP A 424 2.710 -24.503 -5.445 1.00 0.00 C ATOM 0 H TRP A 424 -0.768 -24.160 1.254 1.00 0.00 H new ATOM 0 HA TRP A 424 0.319 -22.777 -0.950 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.030 -25.235 -0.680 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.694 -25.024 -0.916 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.557 -24.968 -3.315 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -1.526 -25.037 -5.673 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.359 -24.281 -2.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 1.088 -24.801 -6.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.092 -24.217 -3.816 1.00 0.00 H new ATOM 0 HH2 TRP A 424 3.475 -24.470 -6.207 1.00 0.00 H new ATOM 835 N ARG A 425 -2.934 -22.359 -0.480 1.00 0.00 N ATOM 836 CA ARG A 425 -4.080 -21.524 -0.826 1.00 0.00 C ATOM 837 C ARG A 425 -3.740 -20.041 -0.663 1.00 0.00 C ATOM 838 O ARG A 425 -3.769 -19.304 -1.649 1.00 0.00 O ATOM 839 CB ARG A 425 -5.290 -21.889 0.048 1.00 0.00 C ATOM 840 CG ARG A 425 -6.176 -22.974 -0.580 1.00 0.00 C ATOM 841 CD ARG A 425 -6.775 -23.929 0.462 1.00 0.00 C ATOM 842 NE ARG A 425 -7.223 -23.276 1.708 1.00 0.00 N ATOM 843 CZ ARG A 425 -8.189 -22.361 1.867 1.00 0.00 C ATOM 844 NH1 ARG A 425 -8.985 -22.013 0.849 1.00 0.00 N ATOM 845 NH2 ARG A 425 -8.340 -21.817 3.080 1.00 0.00 N ATOM 0 H ARG A 425 -3.121 -23.006 0.286 1.00 0.00 H new ATOM 0 HA ARG A 425 -4.332 -21.707 -1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.938 -22.232 1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -5.888 -20.995 0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -6.983 -22.500 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -5.588 -23.548 -1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.622 -24.449 0.015 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -6.032 -24.686 0.711 1.00 0.00 H new ATOM 0 HE ARG A 425 -6.734 -23.558 2.558 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -8.861 -22.446 -0.066 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.715 -21.315 0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -7.730 -22.102 3.846 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -9.065 -21.117 3.238 1.00 0.00 H new ATOM 859 N THR A 426 -3.437 -19.599 0.568 1.00 0.00 N ATOM 860 CA THR A 426 -3.126 -18.201 0.854 1.00 0.00 C ATOM 861 C THR A 426 -2.036 -17.685 -0.085 1.00 0.00 C ATOM 862 O THR A 426 -2.181 -16.618 -0.680 1.00 0.00 O ATOM 863 CB THR A 426 -2.804 -17.963 2.348 1.00 0.00 C ATOM 864 OG1 THR A 426 -2.909 -16.585 2.640 1.00 0.00 O ATOM 865 CG2 THR A 426 -1.415 -18.413 2.802 1.00 0.00 C ATOM 0 H THR A 426 -3.402 -20.205 1.388 1.00 0.00 H new ATOM 0 HA THR A 426 -4.022 -17.612 0.657 1.00 0.00 H new ATOM 0 HB THR A 426 -3.530 -18.575 2.884 1.00 0.00 H new ATOM 0 HG1 THR A 426 -2.707 -16.435 3.587 1.00 0.00 H new ATOM 0 HG21 THR A 426 -1.293 -18.201 3.864 1.00 0.00 H new ATOM 0 HG22 THR A 426 -1.306 -19.484 2.631 1.00 0.00 H new ATOM 0 HG23 THR A 426 -0.655 -17.876 2.235 1.00 0.00 H new ATOM 873 N MET A 427 -0.950 -18.449 -0.233 1.00 0.00 N ATOM 874 CA MET A 427 0.142 -18.050 -1.092 1.00 0.00 C ATOM 875 C MET A 427 -0.260 -17.964 -2.561 1.00 0.00 C ATOM 876 O MET A 427 -0.057 -16.914 -3.161 1.00 0.00 O ATOM 877 CB MET A 427 1.338 -18.980 -0.930 1.00 0.00 C ATOM 878 CG MET A 427 2.122 -18.720 0.362 1.00 0.00 C ATOM 879 SD MET A 427 3.807 -19.381 0.352 1.00 0.00 S ATOM 880 CE MET A 427 4.544 -18.358 -0.954 1.00 0.00 C ATOM 0 H MET A 427 -0.814 -19.345 0.235 1.00 0.00 H new ATOM 0 HA MET A 427 0.425 -17.046 -0.775 1.00 0.00 H new ATOM 0 HB2 MET A 427 0.992 -20.014 -0.938 1.00 0.00 H new ATOM 0 HB3 MET A 427 2.004 -18.860 -1.784 1.00 0.00 H new ATOM 0 HG2 MET A 427 2.166 -17.645 0.537 1.00 0.00 H new ATOM 0 HG3 MET A 427 1.577 -19.157 1.199 1.00 0.00 H new ATOM 0 HE1 MET A 427 5.624 -18.312 -0.815 1.00 0.00 H new ATOM 0 HE2 MET A 427 4.322 -18.795 -1.927 1.00 0.00 H new ATOM 0 HE3 MET A 427 4.129 -17.351 -0.905 1.00 0.00 H new ATOM 890 N LYS A 428 -0.802 -19.030 -3.165 1.00 0.00 N ATOM 891 CA LYS A 428 -1.160 -18.987 -4.580 1.00 0.00 C ATOM 892 C LYS A 428 -2.151 -17.865 -4.895 1.00 0.00 C ATOM 893 O LYS A 428 -2.103 -17.287 -5.978 1.00 0.00 O ATOM 894 CB LYS A 428 -1.550 -20.357 -5.156 1.00 0.00 C ATOM 895 CG LYS A 428 -2.982 -20.845 -4.891 1.00 0.00 C ATOM 896 CD LYS A 428 -3.196 -22.141 -5.689 1.00 0.00 C ATOM 897 CE LYS A 428 -4.447 -22.908 -5.249 1.00 0.00 C ATOM 898 NZ LYS A 428 -4.654 -24.124 -6.063 1.00 0.00 N ATOM 0 H LYS A 428 -0.998 -19.917 -2.701 1.00 0.00 H new ATOM 0 HA LYS A 428 -0.249 -18.727 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -1.397 -20.326 -6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -0.860 -21.101 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -3.133 -21.023 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -3.705 -20.087 -5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -3.277 -21.901 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -2.322 -22.782 -5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -4.355 -23.184 -4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -5.320 -22.260 -5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -5.379 -24.721 -5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -4.967 -23.854 -7.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -3.762 -24.654 -6.128 1.00 0.00 H new ATOM 912 N LYS A 429 -3.037 -17.547 -3.946 1.00 0.00 N ATOM 913 CA LYS A 429 -4.012 -16.480 -4.103 1.00 0.00 C ATOM 914 C LYS A 429 -3.359 -15.099 -3.964 1.00 0.00 C ATOM 915 O LYS A 429 -3.726 -14.188 -4.703 1.00 0.00 O ATOM 916 CB LYS A 429 -5.128 -16.645 -3.059 1.00 0.00 C ATOM 917 CG LYS A 429 -6.027 -17.866 -3.315 1.00 0.00 C ATOM 918 CD LYS A 429 -6.974 -17.730 -4.519 1.00 0.00 C ATOM 919 CE LYS A 429 -7.922 -16.523 -4.460 1.00 0.00 C ATOM 920 NZ LYS A 429 -8.697 -16.473 -3.205 1.00 0.00 N ATOM 0 H LYS A 429 -3.093 -18.027 -3.048 1.00 0.00 H new ATOM 0 HA LYS A 429 -4.435 -16.547 -5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -4.680 -16.734 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -5.743 -15.745 -3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -5.394 -18.740 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -6.623 -18.054 -2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -6.376 -17.660 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -7.570 -18.639 -4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -7.343 -15.605 -4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -8.609 -16.563 -5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -9.369 -15.680 -3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -9.219 -17.364 -3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -8.049 -16.339 -2.402 1.00 0.00 H new