USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 433 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 398 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 405 LYS NZ :NH3+ 156:sc= 1.24 (180deg=0) USER MOD Set 1.3: A 409 HIS : no HE2:sc= 1.07 K(o=2.3,f=-11!) USER MOD Set 2.1: A 397 LYS NZ :NH3+ -150:sc= 0.738 (180deg=-1.09) USER MOD Set 2.2: A 410 TYR OH : rot -30:sc= 0.92 USER MOD Set 3.1: A 381 GLN : amide:sc= 0.659 K(o=1.6,f=-0.13) USER MOD Set 3.2: A 413 ASN : amide:sc= 0.91 K(o=1.6,f=-0.13) USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 ASN : amide:sc= 1.35 K(o=1.4,f=-0.4) USER MOD Single : A 393 SER OG : rot 75:sc= 0.809 USER MOD Single : A 402 ASN : amide:sc= 0.735 K(o=0.73,f=-0.014) USER MOD Single : A 404 SER OG : rot 180:sc=0.000348 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 414 ASN : amide:sc= -0.0574 K(o=-0.057,f=-0.91) USER MOD Single : A 416 THR OG1 : rot 180:sc= -0.0635 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+ -169:sc= 0.548 (180deg=0.33) USER MOD Single : A 426 THR OG1 : rot 78:sc= 0.332 USER MOD Single : A 427 MET CE :methyl 172:sc= -0.0314 (180deg=-0.202) USER MOD Single : A 428 LYS NZ :NH3+ -178:sc= -0.0464 (180deg=-0.13!) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.159 -21.317 13.178 1.00 0.00 N ATOM 72 CA GLN A 381 6.291 -21.848 12.436 1.00 0.00 C ATOM 73 C GLN A 381 6.410 -21.136 11.086 1.00 0.00 C ATOM 74 O GLN A 381 5.788 -21.546 10.106 1.00 0.00 O ATOM 75 CB GLN A 381 6.083 -23.364 12.299 1.00 0.00 C ATOM 76 CG GLN A 381 7.329 -24.179 11.930 1.00 0.00 C ATOM 77 CD GLN A 381 7.020 -25.675 11.768 1.00 0.00 C ATOM 78 OE1 GLN A 381 7.882 -26.445 11.352 1.00 0.00 O ATOM 79 NE2 GLN A 381 5.799 -26.111 12.087 1.00 0.00 N ATOM 0 HA GLN A 381 7.233 -21.672 12.955 1.00 0.00 H new ATOM 0 HB2 GLN A 381 5.690 -23.744 13.242 1.00 0.00 H new ATOM 0 HB3 GLN A 381 5.320 -23.540 11.541 1.00 0.00 H new ATOM 0 HG2 GLN A 381 7.750 -23.795 11.001 1.00 0.00 H new ATOM 0 HG3 GLN A 381 8.088 -24.048 12.702 1.00 0.00 H new ATOM 0 HE21 GLN A 381 5.097 -25.456 12.431 1.00 0.00 H new ATOM 0 HE22 GLN A 381 5.568 -27.099 11.987 1.00 0.00 H new ATOM 88 N ALA A 382 7.220 -20.072 11.041 1.00 0.00 N ATOM 89 CA ALA A 382 7.472 -19.293 9.836 1.00 0.00 C ATOM 90 C ALA A 382 8.063 -20.208 8.763 1.00 0.00 C ATOM 91 O ALA A 382 9.038 -20.910 9.028 1.00 0.00 O ATOM 92 CB ALA A 382 8.425 -18.141 10.160 1.00 0.00 C ATOM 0 H ALA A 382 7.724 -19.727 11.858 1.00 0.00 H new ATOM 0 HA ALA A 382 6.540 -18.870 9.461 1.00 0.00 H new ATOM 0 HB1 ALA A 382 8.613 -17.559 9.258 1.00 0.00 H new ATOM 0 HB2 ALA A 382 7.976 -17.500 10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.366 -18.542 10.535 1.00 0.00 H new ATOM 98 N TRP A 383 7.469 -20.218 7.567 1.00 0.00 N ATOM 99 CA TRP A 383 7.922 -21.066 6.475 1.00 0.00 C ATOM 100 C TRP A 383 9.098 -20.439 5.719 1.00 0.00 C ATOM 101 O TRP A 383 9.146 -19.222 5.542 1.00 0.00 O ATOM 102 CB TRP A 383 6.770 -21.312 5.501 1.00 0.00 C ATOM 103 CG TRP A 383 5.606 -22.127 5.986 1.00 0.00 C ATOM 104 CD1 TRP A 383 4.759 -21.804 6.990 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.145 -23.415 5.485 1.00 0.00 C ATOM 106 NE1 TRP A 383 3.804 -22.786 7.146 1.00 0.00 N ATOM 107 CE2 TRP A 383 3.999 -23.804 6.238 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.575 -24.295 4.470 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.318 -25.001 5.993 1.00 0.00 C ATOM 110 CZ3 TRP A 383 4.898 -25.502 4.218 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.772 -25.853 4.980 1.00 0.00 C ATOM 0 H TRP A 383 6.663 -19.638 7.334 1.00 0.00 H new ATOM 0 HA TRP A 383 8.259 -22.009 6.906 1.00 0.00 H new ATOM 0 HB2 TRP A 383 6.390 -20.342 5.180 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.178 -21.803 4.617 1.00 0.00 H new ATOM 0 HD1 TRP A 383 4.822 -20.905 7.585 1.00 0.00 H new ATOM 0 HE1 TRP A 383 3.056 -22.762 7.839 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.439 -24.038 3.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.451 -25.265 6.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.245 -26.161 3.436 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.256 -26.781 4.784 1.00 0.00 H new ATOM 122 N LEU A 384 10.026 -21.283 5.255 1.00 0.00 N ATOM 123 CA LEU A 384 11.198 -20.907 4.469 1.00 0.00 C ATOM 124 C LEU A 384 11.328 -21.862 3.277 1.00 0.00 C ATOM 125 O LEU A 384 10.548 -22.811 3.159 1.00 0.00 O ATOM 126 CB LEU A 384 12.465 -20.854 5.339 1.00 0.00 C ATOM 127 CG LEU A 384 12.794 -22.172 6.062 1.00 0.00 C ATOM 128 CD1 LEU A 384 14.311 -22.386 6.088 1.00 0.00 C ATOM 129 CD2 LEU A 384 12.279 -22.151 7.508 1.00 0.00 C ATOM 0 H LEU A 384 9.976 -22.287 5.426 1.00 0.00 H new ATOM 0 HA LEU A 384 11.071 -19.897 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 384 13.311 -20.577 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 384 12.348 -20.065 6.082 1.00 0.00 H new ATOM 0 HG LEU A 384 12.305 -22.982 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 384 14.538 -23.321 6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 384 14.690 -22.431 5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 384 14.786 -21.558 6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 384 12.525 -23.094 7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 384 12.748 -21.330 8.049 1.00 0.00 H new ATOM 0 HD23 LEU A 384 11.198 -22.014 7.507 1.00 0.00 H new ATOM 141 N TRP A 385 12.298 -21.625 2.375 1.00 0.00 N ATOM 142 CA TRP A 385 12.432 -22.480 1.200 1.00 0.00 C ATOM 143 C TRP A 385 12.664 -23.942 1.509 1.00 0.00 C ATOM 144 O TRP A 385 12.378 -24.739 0.638 1.00 0.00 O ATOM 145 CB TRP A 385 13.405 -22.000 0.121 1.00 0.00 C ATOM 146 CG TRP A 385 14.873 -22.099 0.402 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.633 -21.013 0.583 1.00 0.00 C ATOM 148 CD2 TRP A 385 15.783 -23.240 0.536 1.00 0.00 C ATOM 149 NE1 TRP A 385 16.941 -21.362 0.833 1.00 0.00 N ATOM 150 CE2 TRP A 385 17.089 -22.734 0.817 1.00 0.00 C ATOM 151 CE3 TRP A 385 15.659 -24.644 0.453 1.00 0.00 C ATOM 152 CZ2 TRP A 385 18.199 -23.572 1.011 1.00 0.00 C ATOM 153 CZ3 TRP A 385 16.760 -25.493 0.651 1.00 0.00 C ATOM 154 CH2 TRP A 385 18.030 -24.962 0.929 1.00 0.00 C ATOM 0 H TRP A 385 12.979 -20.869 2.440 1.00 0.00 H new ATOM 0 HA TRP A 385 11.437 -22.384 0.766 1.00 0.00 H new ATOM 0 HB2 TRP A 385 13.200 -22.565 -0.788 1.00 0.00 H new ATOM 0 HB3 TRP A 385 13.176 -20.956 -0.094 1.00 0.00 H new ATOM 0 HD1 TRP A 385 15.269 -19.997 0.539 1.00 0.00 H new ATOM 0 HE1 TRP A 385 17.696 -20.698 1.006 1.00 0.00 H new ATOM 0 HE3 TRP A 385 14.694 -25.076 0.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 19.171 -23.151 1.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 16.629 -26.563 0.589 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.873 -25.621 1.079 1.00 0.00 H new ATOM 165 N GLU A 386 13.154 -24.356 2.678 1.00 0.00 N ATOM 166 CA GLU A 386 13.303 -25.794 2.885 1.00 0.00 C ATOM 167 C GLU A 386 11.927 -26.440 2.686 1.00 0.00 C ATOM 168 O GLU A 386 11.769 -27.377 1.900 1.00 0.00 O ATOM 169 CB GLU A 386 13.893 -26.091 4.267 1.00 0.00 C ATOM 170 CG GLU A 386 15.310 -25.526 4.464 1.00 0.00 C ATOM 171 CD GLU A 386 16.407 -26.341 3.782 1.00 0.00 C ATOM 172 OE1 GLU A 386 16.074 -27.364 3.144 1.00 0.00 O ATOM 173 OE2 GLU A 386 17.577 -25.926 3.927 1.00 0.00 O ATOM 0 H GLU A 386 13.439 -23.757 3.453 1.00 0.00 H new ATOM 0 HA GLU A 386 14.004 -26.216 2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 386 13.236 -25.676 5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 386 13.916 -27.170 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 386 15.339 -24.506 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 386 15.523 -25.472 5.532 1.00 0.00 H new ATOM 180 N GLU A 387 10.924 -25.890 3.373 1.00 0.00 N ATOM 181 CA GLU A 387 9.554 -26.342 3.287 1.00 0.00 C ATOM 182 C GLU A 387 8.944 -25.987 1.927 1.00 0.00 C ATOM 183 O GLU A 387 8.378 -26.862 1.286 1.00 0.00 O ATOM 184 CB GLU A 387 8.742 -25.716 4.420 1.00 0.00 C ATOM 185 CG GLU A 387 9.298 -26.053 5.812 1.00 0.00 C ATOM 186 CD GLU A 387 9.193 -24.844 6.727 1.00 0.00 C ATOM 187 OE1 GLU A 387 9.860 -23.840 6.402 1.00 0.00 O ATOM 188 OE2 GLU A 387 8.432 -24.937 7.713 1.00 0.00 O ATOM 0 H GLU A 387 11.054 -25.106 4.012 1.00 0.00 H new ATOM 0 HA GLU A 387 9.533 -27.427 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 387 8.726 -24.634 4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.710 -26.060 4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 387 8.746 -26.890 6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.339 -26.366 5.730 1.00 0.00 H new ATOM 195 N ASP A 388 9.028 -24.728 1.475 1.00 0.00 N ATOM 196 CA ASP A 388 8.419 -24.326 0.203 1.00 0.00 C ATOM 197 C ASP A 388 9.011 -25.037 -1.016 1.00 0.00 C ATOM 198 O ASP A 388 8.281 -25.375 -1.941 1.00 0.00 O ATOM 199 CB ASP A 388 8.477 -22.811 -0.010 1.00 0.00 C ATOM 200 CG ASP A 388 7.844 -22.029 1.129 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.686 -22.340 1.479 1.00 0.00 O ATOM 202 OD2 ASP A 388 8.505 -21.086 1.611 1.00 0.00 O ATOM 0 H ASP A 388 9.509 -23.976 1.969 1.00 0.00 H new ATOM 0 HA ASP A 388 7.378 -24.637 0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.517 -22.504 -0.121 1.00 0.00 H new ATOM 0 HB3 ASP A 388 7.970 -22.561 -0.942 1.00 0.00 H new ATOM 207 N LYS A 389 10.325 -25.259 -1.036 1.00 0.00 N ATOM 208 CA LYS A 389 11.034 -25.921 -2.124 1.00 0.00 C ATOM 209 C LYS A 389 10.611 -27.396 -2.126 1.00 0.00 C ATOM 210 O LYS A 389 10.243 -27.938 -3.171 1.00 0.00 O ATOM 211 CB LYS A 389 12.556 -25.691 -1.987 1.00 0.00 C ATOM 212 CG LYS A 389 13.328 -26.192 -3.212 1.00 0.00 C ATOM 213 CD LYS A 389 14.833 -26.000 -2.973 1.00 0.00 C ATOM 214 CE LYS A 389 15.688 -26.604 -4.094 1.00 0.00 C ATOM 215 NZ LYS A 389 15.459 -25.945 -5.394 1.00 0.00 N ATOM 0 H LYS A 389 10.940 -24.974 -0.274 1.00 0.00 H new ATOM 0 HA LYS A 389 10.774 -25.503 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.750 -24.628 -1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.920 -26.202 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 389 13.107 -27.244 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 389 13.016 -25.645 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 389 15.051 -24.935 -2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 389 15.108 -26.459 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 389 16.742 -26.521 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 389 15.465 -27.667 -4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 16.059 -26.388 -6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 14.460 -26.046 -5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 15.697 -24.935 -5.318 1.00 0.00 H new ATOM 229 N ASN A 390 10.630 -28.039 -0.948 1.00 0.00 N ATOM 230 CA ASN A 390 10.205 -29.425 -0.781 1.00 0.00 C ATOM 231 C ASN A 390 8.742 -29.582 -1.233 1.00 0.00 C ATOM 232 O ASN A 390 8.406 -30.499 -1.983 1.00 0.00 O ATOM 233 CB ASN A 390 10.409 -29.801 0.691 1.00 0.00 C ATOM 234 CG ASN A 390 9.933 -31.206 1.031 1.00 0.00 C ATOM 235 OD1 ASN A 390 10.459 -32.186 0.512 1.00 0.00 O ATOM 236 ND2 ASN A 390 8.949 -31.299 1.922 1.00 0.00 N ATOM 0 H ASN A 390 10.944 -27.602 -0.082 1.00 0.00 H new ATOM 0 HA ASN A 390 10.795 -30.101 -1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 390 11.468 -29.715 0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.878 -29.085 1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 390 8.599 -32.215 2.202 1.00 0.00 H new ATOM 0 HD22 ASN A 390 8.544 -30.454 2.325 1.00 0.00 H new ATOM 243 N LEU A 391 7.882 -28.660 -0.787 1.00 0.00 N ATOM 244 CA LEU A 391 6.465 -28.592 -1.111 1.00 0.00 C ATOM 245 C LEU A 391 6.286 -28.487 -2.623 1.00 0.00 C ATOM 246 O LEU A 391 5.580 -29.302 -3.204 1.00 0.00 O ATOM 247 CB LEU A 391 5.834 -27.394 -0.384 1.00 0.00 C ATOM 248 CG LEU A 391 4.367 -27.110 -0.738 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.486 -28.328 -0.457 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.880 -25.923 0.102 1.00 0.00 C ATOM 0 H LEU A 391 8.175 -27.909 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 391 5.961 -29.499 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.905 -27.564 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.423 -26.504 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 391 4.299 -26.881 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.453 -28.098 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.831 -29.172 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.545 -28.584 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.839 -25.710 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.965 -26.168 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 391 4.490 -25.047 -0.118 1.00 0.00 H new ATOM 262 N ARG A 392 6.928 -27.499 -3.258 1.00 0.00 N ATOM 263 CA ARG A 392 6.872 -27.280 -4.699 1.00 0.00 C ATOM 264 C ARG A 392 7.224 -28.568 -5.443 1.00 0.00 C ATOM 265 O ARG A 392 6.547 -28.919 -6.407 1.00 0.00 O ATOM 266 CB ARG A 392 7.810 -26.136 -5.103 1.00 0.00 C ATOM 267 CG ARG A 392 7.178 -24.765 -4.823 1.00 0.00 C ATOM 268 CD ARG A 392 8.243 -23.667 -4.861 1.00 0.00 C ATOM 269 NE ARG A 392 7.649 -22.334 -4.669 1.00 0.00 N ATOM 270 CZ ARG A 392 7.282 -21.487 -5.646 1.00 0.00 C ATOM 271 NH1 ARG A 392 7.372 -21.846 -6.932 1.00 0.00 N ATOM 272 NH2 ARG A 392 6.818 -20.272 -5.331 1.00 0.00 N ATOM 0 H ARG A 392 7.511 -26.819 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 392 5.856 -26.995 -4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 392 8.749 -26.224 -4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.050 -26.218 -6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 392 6.405 -24.556 -5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 392 6.691 -24.774 -3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 392 8.985 -23.851 -4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 392 8.767 -23.699 -5.816 1.00 0.00 H new ATOM 0 HE ARG A 392 7.503 -22.025 -3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 392 7.722 -22.771 -7.180 1.00 0.00 H new ATOM 0 HH12 ARG A 392 7.090 -21.194 -7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 392 6.744 -19.992 -4.353 1.00 0.00 H new ATOM 0 HH22 ARG A 392 6.538 -19.626 -6.069 1.00 0.00 H new ATOM 286 N SER A 393 8.264 -29.281 -4.994 1.00 0.00 N ATOM 287 CA SER A 393 8.667 -30.539 -5.609 1.00 0.00 C ATOM 288 C SER A 393 7.510 -31.545 -5.538 1.00 0.00 C ATOM 289 O SER A 393 7.136 -32.141 -6.550 1.00 0.00 O ATOM 290 CB SER A 393 9.936 -31.074 -4.935 1.00 0.00 C ATOM 291 OG SER A 393 10.948 -30.086 -4.936 1.00 0.00 O ATOM 0 H SER A 393 8.841 -29.001 -4.201 1.00 0.00 H new ATOM 0 HA SER A 393 8.902 -30.376 -6.661 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.713 -31.374 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 393 10.286 -31.963 -5.459 1.00 0.00 H new ATOM 0 HG SER A 393 10.742 -29.406 -4.262 1.00 0.00 H new ATOM 297 N GLY A 394 6.933 -31.716 -4.343 1.00 0.00 N ATOM 298 CA GLY A 394 5.809 -32.610 -4.115 1.00 0.00 C ATOM 299 C GLY A 394 4.606 -32.249 -4.988 1.00 0.00 C ATOM 300 O GLY A 394 3.994 -33.130 -5.588 1.00 0.00 O ATOM 0 H GLY A 394 7.242 -31.229 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 394 6.113 -33.636 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.520 -32.570 -3.065 1.00 0.00 H new ATOM 304 N VAL A 395 4.269 -30.957 -5.069 1.00 0.00 N ATOM 305 CA VAL A 395 3.157 -30.465 -5.867 1.00 0.00 C ATOM 306 C VAL A 395 3.427 -30.703 -7.351 1.00 0.00 C ATOM 307 O VAL A 395 2.522 -31.105 -8.070 1.00 0.00 O ATOM 308 CB VAL A 395 2.859 -28.989 -5.553 1.00 0.00 C ATOM 309 CG1 VAL A 395 1.796 -28.445 -6.515 1.00 0.00 C ATOM 310 CG2 VAL A 395 2.323 -28.846 -4.124 1.00 0.00 C ATOM 0 H VAL A 395 4.771 -30.220 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 395 2.259 -31.024 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 395 3.788 -28.429 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 395 1.595 -27.400 -6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 395 2.158 -28.525 -7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.878 -29.024 -6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 395 2.117 -27.796 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 395 1.405 -29.424 -4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 395 3.066 -29.216 -3.418 1.00 0.00 H new ATOM 320 N ARG A 396 4.652 -30.481 -7.838 1.00 0.00 N ATOM 321 CA ARG A 396 4.935 -30.734 -9.245 1.00 0.00 C ATOM 322 C ARG A 396 4.810 -32.238 -9.532 1.00 0.00 C ATOM 323 O ARG A 396 4.433 -32.625 -10.635 1.00 0.00 O ATOM 324 CB ARG A 396 6.307 -30.163 -9.642 1.00 0.00 C ATOM 325 CG ARG A 396 6.389 -29.952 -11.163 1.00 0.00 C ATOM 326 CD ARG A 396 7.752 -29.370 -11.572 1.00 0.00 C ATOM 327 NE ARG A 396 7.807 -29.010 -12.999 1.00 0.00 N ATOM 328 CZ ARG A 396 7.889 -29.860 -14.037 1.00 0.00 C ATOM 329 NH1 ARG A 396 7.874 -31.186 -13.845 1.00 0.00 N ATOM 330 NH2 ARG A 396 7.992 -29.362 -15.273 1.00 0.00 N ATOM 0 H ARG A 396 5.441 -30.136 -7.292 1.00 0.00 H new ATOM 0 HA ARG A 396 4.202 -30.217 -9.864 1.00 0.00 H new ATOM 0 HB2 ARG A 396 6.474 -29.216 -9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 396 7.096 -30.843 -9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 396 6.228 -30.902 -11.673 1.00 0.00 H new ATOM 0 HG3 ARG A 396 5.593 -29.280 -11.483 1.00 0.00 H new ATOM 0 HD2 ARG A 396 7.961 -28.486 -10.969 1.00 0.00 H new ATOM 0 HD3 ARG A 396 8.534 -30.097 -11.354 1.00 0.00 H new ATOM 0 HE ARG A 396 7.780 -28.015 -13.222 1.00 0.00 H new ATOM 0 HH11 ARG A 396 7.799 -31.564 -12.900 1.00 0.00 H new ATOM 0 HH12 ARG A 396 7.937 -31.818 -14.643 1.00 0.00 H new ATOM 0 HH21 ARG A 396 8.007 -28.352 -15.416 1.00 0.00 H new ATOM 0 HH22 ARG A 396 8.055 -29.992 -16.073 1.00 0.00 H new ATOM 344 N LYS A 397 5.118 -33.086 -8.537 1.00 0.00 N ATOM 345 CA LYS A 397 5.047 -34.535 -8.664 1.00 0.00 C ATOM 346 C LYS A 397 3.617 -35.096 -8.629 1.00 0.00 C ATOM 347 O LYS A 397 3.299 -35.959 -9.444 1.00 0.00 O ATOM 348 CB LYS A 397 5.925 -35.183 -7.577 1.00 0.00 C ATOM 349 CG LYS A 397 6.289 -36.647 -7.881 1.00 0.00 C ATOM 350 CD LYS A 397 7.306 -36.857 -9.020 1.00 0.00 C ATOM 351 CE LYS A 397 8.784 -36.702 -8.629 1.00 0.00 C ATOM 352 NZ LYS A 397 9.147 -35.330 -8.224 1.00 0.00 N ATOM 0 H LYS A 397 5.425 -32.773 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 397 5.426 -34.789 -9.654 1.00 0.00 H new ATOM 0 HB2 LYS A 397 6.842 -34.603 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 397 5.402 -35.137 -6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 397 6.688 -37.099 -6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 397 5.375 -37.186 -8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 397 7.161 -37.855 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 397 7.083 -36.147 -9.817 1.00 0.00 H new ATOM 0 HE2 LYS A 397 9.008 -37.385 -7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 397 9.407 -37.000 -9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 10.144 -35.151 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 8.544 -34.648 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 9.009 -35.223 -7.199 1.00 0.00 H new ATOM 366 N TYR A 398 2.775 -34.655 -7.682 1.00 0.00 N ATOM 367 CA TYR A 398 1.417 -35.179 -7.491 1.00 0.00 C ATOM 368 C TYR A 398 0.278 -34.201 -7.790 1.00 0.00 C ATOM 369 O TYR A 398 -0.844 -34.641 -8.036 1.00 0.00 O ATOM 370 CB TYR A 398 1.283 -35.670 -6.041 1.00 0.00 C ATOM 371 CG TYR A 398 2.412 -36.560 -5.550 1.00 0.00 C ATOM 372 CD1 TYR A 398 2.892 -37.612 -6.355 1.00 0.00 C ATOM 373 CD2 TYR A 398 2.984 -36.335 -4.286 1.00 0.00 C ATOM 374 CE1 TYR A 398 3.939 -38.428 -5.899 1.00 0.00 C ATOM 375 CE2 TYR A 398 4.029 -37.155 -3.829 1.00 0.00 C ATOM 376 CZ TYR A 398 4.507 -38.201 -4.635 1.00 0.00 C ATOM 377 OH TYR A 398 5.525 -38.992 -4.189 1.00 0.00 O ATOM 0 H TYR A 398 3.022 -33.918 -7.022 1.00 0.00 H new ATOM 0 HA TYR A 398 1.306 -35.979 -8.223 1.00 0.00 H new ATOM 0 HB2 TYR A 398 1.216 -34.802 -5.386 1.00 0.00 H new ATOM 0 HB3 TYR A 398 0.344 -36.216 -5.945 1.00 0.00 H new ATOM 0 HD1 TYR A 398 2.453 -37.791 -7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 398 2.619 -35.530 -3.665 1.00 0.00 H new ATOM 0 HE1 TYR A 398 4.308 -39.231 -6.520 1.00 0.00 H new ATOM 0 HE2 TYR A 398 4.465 -36.981 -2.857 1.00 0.00 H new ATOM 0 HH TYR A 398 6.104 -38.474 -3.592 1.00 0.00 H new ATOM 387 N GLY A 399 0.541 -32.895 -7.751 1.00 0.00 N ATOM 388 CA GLY A 399 -0.449 -31.848 -7.975 1.00 0.00 C ATOM 389 C GLY A 399 -0.954 -31.324 -6.631 1.00 0.00 C ATOM 390 O GLY A 399 -0.813 -31.995 -5.607 1.00 0.00 O ATOM 0 H GLY A 399 1.473 -32.529 -7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.009 -31.035 -8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.281 -32.240 -8.560 1.00 0.00 H new ATOM 394 N GLU A 400 -1.549 -30.125 -6.622 1.00 0.00 N ATOM 395 CA GLU A 400 -2.084 -29.543 -5.398 1.00 0.00 C ATOM 396 C GLU A 400 -3.282 -30.369 -4.918 1.00 0.00 C ATOM 397 O GLU A 400 -3.901 -31.087 -5.702 1.00 0.00 O ATOM 398 CB GLU A 400 -2.404 -28.049 -5.582 1.00 0.00 C ATOM 399 CG GLU A 400 -3.334 -27.733 -6.764 1.00 0.00 C ATOM 400 CD GLU A 400 -3.761 -26.266 -6.770 1.00 0.00 C ATOM 401 OE1 GLU A 400 -2.926 -25.405 -6.413 1.00 0.00 O ATOM 402 OE2 GLU A 400 -4.937 -25.995 -7.087 1.00 0.00 O ATOM 0 H GLU A 400 -1.669 -29.544 -7.451 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.328 -29.582 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.862 -27.674 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -1.469 -27.505 -5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -2.826 -27.968 -7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -4.218 -28.369 -6.712 1.00 0.00 H new ATOM 409 N GLY A 401 -3.595 -30.284 -3.623 1.00 0.00 N ATOM 410 CA GLY A 401 -4.690 -31.037 -3.030 1.00 0.00 C ATOM 411 C GLY A 401 -4.321 -32.507 -2.839 1.00 0.00 C ATOM 412 O GLY A 401 -5.160 -33.388 -3.012 1.00 0.00 O ATOM 0 H GLY A 401 -3.094 -29.691 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -4.954 -30.599 -2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -5.571 -30.962 -3.667 1.00 0.00 H new ATOM 416 N ASN A 402 -3.061 -32.761 -2.468 1.00 0.00 N ATOM 417 CA ASN A 402 -2.508 -34.086 -2.200 1.00 0.00 C ATOM 418 C ASN A 402 -1.516 -33.946 -1.045 1.00 0.00 C ATOM 419 O ASN A 402 -0.447 -34.556 -1.052 1.00 0.00 O ATOM 420 CB ASN A 402 -1.814 -34.653 -3.449 1.00 0.00 C ATOM 421 CG ASN A 402 -2.781 -34.927 -4.597 1.00 0.00 C ATOM 422 OD1 ASN A 402 -3.400 -35.987 -4.649 1.00 0.00 O ATOM 423 ND2 ASN A 402 -2.896 -33.988 -5.533 1.00 0.00 N ATOM 0 H ASN A 402 -2.375 -32.017 -2.342 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.304 -34.781 -1.935 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -1.051 -33.950 -3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -1.302 -35.578 -3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -3.515 -34.135 -6.330 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -2.365 -33.121 -5.454 1.00 0.00 H new ATOM 430 N TRP A 403 -1.862 -33.117 -0.052 1.00 0.00 N ATOM 431 CA TRP A 403 -1.011 -32.843 1.097 1.00 0.00 C ATOM 432 C TRP A 403 -0.669 -34.122 1.861 1.00 0.00 C ATOM 433 O TRP A 403 0.397 -34.192 2.462 1.00 0.00 O ATOM 434 CB TRP A 403 -1.599 -31.734 1.979 1.00 0.00 C ATOM 435 CG TRP A 403 -2.375 -30.697 1.232 1.00 0.00 C ATOM 436 CD1 TRP A 403 -3.703 -30.474 1.343 1.00 0.00 C ATOM 437 CD2 TRP A 403 -1.893 -29.747 0.235 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.077 -29.461 0.487 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.000 -28.978 -0.220 1.00 0.00 C ATOM 440 CE3 TRP A 403 -0.635 -29.462 -0.338 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -2.874 -27.975 -1.191 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.496 -28.458 -1.314 1.00 0.00 C ATOM 443 CH2 TRP A 403 -1.611 -27.719 -1.738 1.00 0.00 C ATOM 0 H TRP A 403 -2.750 -32.616 -0.030 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.059 -32.457 0.732 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.249 -32.188 2.727 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -0.787 -31.245 2.517 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.370 -31.009 2.003 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.031 -29.113 0.390 1.00 0.00 H new ATOM 0 HE3 TRP A 403 0.233 -30.022 -0.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -3.736 -27.409 -1.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.476 -28.255 -1.740 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.495 -26.951 -2.488 1.00 0.00 H new ATOM 454 N SER A 404 -1.538 -35.137 1.817 1.00 0.00 N ATOM 455 CA SER A 404 -1.312 -36.427 2.453 1.00 0.00 C ATOM 456 C SER A 404 -0.079 -37.085 1.824 1.00 0.00 C ATOM 457 O SER A 404 0.900 -37.387 2.505 1.00 0.00 O ATOM 458 CB SER A 404 -2.564 -37.297 2.281 1.00 0.00 C ATOM 459 OG SER A 404 -2.984 -37.317 0.927 1.00 0.00 O ATOM 0 H SER A 404 -2.432 -35.078 1.329 1.00 0.00 H new ATOM 0 HA SER A 404 -1.127 -36.304 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.355 -38.313 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 404 -3.368 -36.913 2.910 1.00 0.00 H new ATOM 0 HG SER A 404 -3.782 -37.879 0.840 1.00 0.00 H new ATOM 465 N LYS A 405 -0.126 -37.289 0.504 1.00 0.00 N ATOM 466 CA LYS A 405 0.964 -37.877 -0.260 1.00 0.00 C ATOM 467 C LYS A 405 2.241 -37.067 -0.046 1.00 0.00 C ATOM 468 O LYS A 405 3.302 -37.638 0.203 1.00 0.00 O ATOM 469 CB LYS A 405 0.595 -37.927 -1.749 1.00 0.00 C ATOM 470 CG LYS A 405 -0.510 -38.951 -2.058 1.00 0.00 C ATOM 471 CD LYS A 405 -0.009 -40.404 -2.037 1.00 0.00 C ATOM 472 CE LYS A 405 0.784 -40.762 -3.304 1.00 0.00 C ATOM 473 NZ LYS A 405 1.466 -42.062 -3.166 1.00 0.00 N ATOM 0 H LYS A 405 -0.936 -37.045 -0.066 1.00 0.00 H new ATOM 0 HA LYS A 405 1.137 -38.896 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.267 -36.938 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 405 1.484 -38.173 -2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -1.314 -38.840 -1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -0.935 -38.734 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 405 0.621 -40.557 -1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -0.860 -41.079 -1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 405 0.110 -40.793 -4.160 1.00 0.00 H new ATOM 0 HE3 LYS A 405 1.520 -39.984 -3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 1.639 -42.465 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 2.373 -41.928 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 0.868 -42.711 -2.617 1.00 0.00 H new ATOM 487 N ILE A 406 2.136 -35.737 -0.132 1.00 0.00 N ATOM 488 CA ILE A 406 3.268 -34.847 0.062 1.00 0.00 C ATOM 489 C ILE A 406 3.844 -35.038 1.474 1.00 0.00 C ATOM 490 O ILE A 406 5.056 -35.122 1.612 1.00 0.00 O ATOM 491 CB ILE A 406 2.881 -33.397 -0.290 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.476 -33.308 -1.776 1.00 0.00 C ATOM 493 CG2 ILE A 406 4.044 -32.426 -0.043 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.805 -31.984 -2.148 1.00 0.00 C ATOM 0 H ILE A 406 1.261 -35.255 -0.338 1.00 0.00 H new ATOM 0 HA ILE A 406 4.076 -35.098 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 406 2.046 -33.117 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.363 -33.443 -2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.797 -34.128 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.734 -31.414 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 406 4.329 -32.460 1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.896 -32.714 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.547 -31.992 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.899 -31.856 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.490 -31.160 -1.947 1.00 0.00 H new ATOM 506 N LEU A 407 3.020 -35.136 2.523 1.00 0.00 N ATOM 507 CA LEU A 407 3.501 -35.348 3.889 1.00 0.00 C ATOM 508 C LEU A 407 4.301 -36.647 3.989 1.00 0.00 C ATOM 509 O LEU A 407 5.375 -36.666 4.587 1.00 0.00 O ATOM 510 CB LEU A 407 2.331 -35.411 4.889 1.00 0.00 C ATOM 511 CG LEU A 407 1.795 -34.036 5.306 1.00 0.00 C ATOM 512 CD1 LEU A 407 0.367 -34.173 5.844 1.00 0.00 C ATOM 513 CD2 LEU A 407 2.673 -33.406 6.395 1.00 0.00 C ATOM 0 H LEU A 407 2.005 -35.071 2.448 1.00 0.00 H new ATOM 0 HA LEU A 407 4.142 -34.502 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 407 1.519 -35.988 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 407 2.656 -35.949 5.780 1.00 0.00 H new ATOM 0 HG LEU A 407 1.806 -33.394 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -0.007 -33.192 6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -0.276 -34.589 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 407 0.366 -34.836 6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 407 2.268 -32.432 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 407 2.687 -34.054 7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 407 3.688 -33.284 6.018 1.00 0.00 H new ATOM 525 N LEU A 408 3.777 -37.737 3.421 1.00 0.00 N ATOM 526 CA LEU A 408 4.434 -39.035 3.490 1.00 0.00 C ATOM 527 C LEU A 408 5.745 -39.080 2.700 1.00 0.00 C ATOM 528 O LEU A 408 6.777 -39.473 3.241 1.00 0.00 O ATOM 529 CB LEU A 408 3.472 -40.143 3.026 1.00 0.00 C ATOM 530 CG LEU A 408 2.639 -40.740 4.174 1.00 0.00 C ATOM 531 CD1 LEU A 408 1.738 -39.715 4.873 1.00 0.00 C ATOM 532 CD2 LEU A 408 1.771 -41.880 3.630 1.00 0.00 C ATOM 0 H LEU A 408 2.896 -37.741 2.907 1.00 0.00 H new ATOM 0 HA LEU A 408 4.699 -39.206 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 408 2.800 -39.739 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 408 4.046 -40.938 2.550 1.00 0.00 H new ATOM 0 HG LEU A 408 3.347 -41.101 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 408 1.180 -40.205 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 408 2.352 -38.919 5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 408 1.041 -39.291 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 408 1.179 -42.305 4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 408 1.105 -41.494 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 408 2.411 -42.653 3.203 1.00 0.00 H new ATOM 544 N HIS A 409 5.706 -38.713 1.417 1.00 0.00 N ATOM 545 CA HIS A 409 6.863 -38.776 0.533 1.00 0.00 C ATOM 546 C HIS A 409 7.845 -37.611 0.710 1.00 0.00 C ATOM 547 O HIS A 409 9.055 -37.828 0.724 1.00 0.00 O ATOM 548 CB HIS A 409 6.365 -38.894 -0.911 1.00 0.00 C ATOM 549 CG HIS A 409 5.455 -40.079 -1.127 1.00 0.00 C ATOM 550 ND1 HIS A 409 5.875 -41.387 -0.940 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.138 -40.175 -1.512 1.00 0.00 C ATOM 552 CE1 HIS A 409 4.828 -42.185 -1.213 1.00 0.00 C ATOM 553 NE2 HIS A 409 3.734 -41.507 -1.570 1.00 0.00 N ATOM 0 H HIS A 409 4.863 -38.362 0.963 1.00 0.00 H new ATOM 0 HA HIS A 409 7.445 -39.658 0.801 1.00 0.00 H new ATOM 0 HB2 HIS A 409 5.834 -37.981 -1.182 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.222 -38.975 -1.580 1.00 0.00 H new ATOM 0 HD1 HIS A 409 6.805 -41.688 -0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 409 3.503 -39.332 -1.739 1.00 0.00 H new ATOM 0 HE1 HIS A 409 4.867 -43.262 -1.150 1.00 0.00 H new ATOM 561 N TYR A 410 7.333 -36.385 0.832 1.00 0.00 N ATOM 562 CA TYR A 410 8.105 -35.153 0.989 1.00 0.00 C ATOM 563 C TYR A 410 7.874 -34.598 2.397 1.00 0.00 C ATOM 564 O TYR A 410 7.293 -33.529 2.558 1.00 0.00 O ATOM 565 CB TYR A 410 7.675 -34.142 -0.093 1.00 0.00 C ATOM 566 CG TYR A 410 7.974 -34.551 -1.521 1.00 0.00 C ATOM 567 CD1 TYR A 410 7.119 -35.450 -2.181 1.00 0.00 C ATOM 568 CD2 TYR A 410 9.100 -34.038 -2.195 1.00 0.00 C ATOM 569 CE1 TYR A 410 7.387 -35.839 -3.503 1.00 0.00 C ATOM 570 CE2 TYR A 410 9.366 -34.424 -3.521 1.00 0.00 C ATOM 571 CZ TYR A 410 8.509 -35.326 -4.172 1.00 0.00 C ATOM 572 OH TYR A 410 8.757 -35.711 -5.456 1.00 0.00 O ATOM 0 H TYR A 410 6.327 -36.217 0.824 1.00 0.00 H new ATOM 0 HA TYR A 410 9.170 -35.348 0.866 1.00 0.00 H new ATOM 0 HB2 TYR A 410 6.603 -33.970 0.001 1.00 0.00 H new ATOM 0 HB3 TYR A 410 8.169 -33.191 0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 410 6.253 -35.843 -1.669 1.00 0.00 H new ATOM 0 HD2 TYR A 410 9.760 -33.347 -1.692 1.00 0.00 H new ATOM 0 HE1 TYR A 410 6.730 -36.533 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 410 10.228 -34.027 -4.038 1.00 0.00 H new ATOM 0 HH TYR A 410 8.419 -36.620 -5.596 1.00 0.00 H new ATOM 582 N LYS A 411 8.321 -35.328 3.423 1.00 0.00 N ATOM 583 CA LYS A 411 8.151 -34.939 4.820 1.00 0.00 C ATOM 584 C LYS A 411 8.736 -33.561 5.159 1.00 0.00 C ATOM 585 O LYS A 411 9.628 -33.066 4.472 1.00 0.00 O ATOM 586 CB LYS A 411 8.702 -36.038 5.740 1.00 0.00 C ATOM 587 CG LYS A 411 10.220 -36.221 5.613 1.00 0.00 C ATOM 588 CD LYS A 411 10.690 -37.334 6.556 1.00 0.00 C ATOM 589 CE LYS A 411 12.212 -37.505 6.467 1.00 0.00 C ATOM 590 NZ LYS A 411 12.695 -38.564 7.372 1.00 0.00 N ATOM 0 H LYS A 411 8.815 -36.212 3.303 1.00 0.00 H new ATOM 0 HA LYS A 411 7.080 -34.833 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 411 8.456 -35.796 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 411 8.207 -36.981 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 411 10.481 -36.469 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 411 10.729 -35.288 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.404 -37.096 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 411 10.197 -38.271 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 411 12.492 -37.747 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 411 12.699 -36.563 6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 13.728 -38.651 7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 12.450 -38.321 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 12.249 -39.468 7.118 1.00 0.00 H new ATOM 604 N PHE A 412 8.212 -32.960 6.236 1.00 0.00 N ATOM 605 CA PHE A 412 8.594 -31.654 6.765 1.00 0.00 C ATOM 606 C PHE A 412 8.939 -31.789 8.250 1.00 0.00 C ATOM 607 O PHE A 412 8.919 -32.890 8.800 1.00 0.00 O ATOM 608 CB PHE A 412 7.420 -30.672 6.619 1.00 0.00 C ATOM 609 CG PHE A 412 6.858 -30.517 5.223 1.00 0.00 C ATOM 610 CD1 PHE A 412 5.949 -31.464 4.723 1.00 0.00 C ATOM 611 CD2 PHE A 412 7.236 -29.423 4.425 1.00 0.00 C ATOM 612 CE1 PHE A 412 5.424 -31.325 3.430 1.00 0.00 C ATOM 613 CE2 PHE A 412 6.709 -29.283 3.131 1.00 0.00 C ATOM 614 CZ PHE A 412 5.806 -30.235 2.629 1.00 0.00 C ATOM 0 H PHE A 412 7.473 -33.398 6.786 1.00 0.00 H new ATOM 0 HA PHE A 412 9.457 -31.283 6.212 1.00 0.00 H new ATOM 0 HB2 PHE A 412 6.616 -30.996 7.280 1.00 0.00 H new ATOM 0 HB3 PHE A 412 7.745 -29.693 6.970 1.00 0.00 H new ATOM 0 HD1 PHE A 412 5.653 -32.302 5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 412 7.932 -28.690 4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 412 4.726 -32.056 3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 412 6.999 -28.441 2.520 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.407 -30.130 1.631 1.00 0.00 H new ATOM 624 N ASN A 413 9.236 -30.659 8.903 1.00 0.00 N ATOM 625 CA ASN A 413 9.559 -30.608 10.321 1.00 0.00 C ATOM 626 C ASN A 413 8.332 -30.967 11.165 1.00 0.00 C ATOM 627 O ASN A 413 8.351 -31.964 11.881 1.00 0.00 O ATOM 628 CB ASN A 413 10.098 -29.216 10.676 1.00 0.00 C ATOM 629 CG ASN A 413 10.360 -29.086 12.176 1.00 0.00 C ATOM 630 OD1 ASN A 413 11.170 -29.821 12.731 1.00 0.00 O ATOM 631 ND2 ASN A 413 9.671 -28.159 12.841 1.00 0.00 N ATOM 0 H ASN A 413 9.257 -29.746 8.449 1.00 0.00 H new ATOM 0 HA ASN A 413 10.333 -31.343 10.542 1.00 0.00 H new ATOM 0 HB2 ASN A 413 11.021 -29.030 10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 413 9.382 -28.456 10.363 1.00 0.00 H new ATOM 0 HD21 ASN A 413 9.809 -28.043 13.845 1.00 0.00 H new ATOM 0 HD22 ASN A 413 9.005 -27.565 12.346 1.00 0.00 H new ATOM 638 N ASN A 414 7.269 -30.154 11.086 1.00 0.00 N ATOM 639 CA ASN A 414 6.040 -30.370 11.844 1.00 0.00 C ATOM 640 C ASN A 414 4.883 -29.617 11.182 1.00 0.00 C ATOM 641 O ASN A 414 4.417 -28.606 11.704 1.00 0.00 O ATOM 642 CB ASN A 414 6.258 -29.924 13.300 1.00 0.00 C ATOM 643 CG ASN A 414 5.026 -30.143 14.177 1.00 0.00 C ATOM 644 OD1 ASN A 414 4.155 -30.947 13.855 1.00 0.00 O ATOM 645 ND2 ASN A 414 4.948 -29.427 15.298 1.00 0.00 N ATOM 0 H ASN A 414 7.243 -29.326 10.491 1.00 0.00 H new ATOM 0 HA ASN A 414 5.781 -31.429 11.850 1.00 0.00 H new ATOM 0 HB2 ASN A 414 7.100 -30.473 13.721 1.00 0.00 H new ATOM 0 HB3 ASN A 414 6.526 -28.868 13.315 1.00 0.00 H new ATOM 0 HD21 ASN A 414 4.147 -29.538 15.919 1.00 0.00 H new ATOM 0 HD22 ASN A 414 5.690 -28.768 15.535 1.00 0.00 H new ATOM 652 N ARG A 415 4.435 -30.109 10.020 1.00 0.00 N ATOM 653 CA ARG A 415 3.349 -29.562 9.214 1.00 0.00 C ATOM 654 C ARG A 415 2.210 -30.583 9.160 1.00 0.00 C ATOM 655 O ARG A 415 2.401 -31.752 9.492 1.00 0.00 O ATOM 656 CB ARG A 415 3.859 -29.273 7.791 1.00 0.00 C ATOM 657 CG ARG A 415 4.465 -27.875 7.606 1.00 0.00 C ATOM 658 CD ARG A 415 5.591 -27.538 8.589 1.00 0.00 C ATOM 659 NE ARG A 415 6.105 -26.176 8.400 1.00 0.00 N ATOM 660 CZ ARG A 415 5.517 -25.056 8.853 1.00 0.00 C ATOM 661 NH1 ARG A 415 4.288 -25.096 9.387 1.00 0.00 N ATOM 662 NH2 ARG A 415 6.193 -23.909 8.770 1.00 0.00 N ATOM 0 H ARG A 415 4.845 -30.943 9.599 1.00 0.00 H new ATOM 0 HA ARG A 415 2.989 -28.634 9.657 1.00 0.00 H new ATOM 0 HB2 ARG A 415 4.610 -30.019 7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 415 3.032 -29.393 7.091 1.00 0.00 H new ATOM 0 HG2 ARG A 415 4.849 -27.791 6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 415 3.674 -27.133 7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 415 5.224 -27.647 9.610 1.00 0.00 H new ATOM 0 HD3 ARG A 415 6.405 -28.252 8.464 1.00 0.00 H new ATOM 0 HE ARG A 415 6.978 -26.072 7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.789 -25.983 9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 415 3.852 -24.239 9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 415 7.131 -23.898 8.370 1.00 0.00 H new ATOM 0 HH22 ARG A 415 5.771 -23.043 9.106 1.00 0.00 H new ATOM 676 N THR A 416 1.029 -30.130 8.728 1.00 0.00 N ATOM 677 CA THR A 416 -0.175 -30.934 8.577 1.00 0.00 C ATOM 678 C THR A 416 -0.829 -30.569 7.249 1.00 0.00 C ATOM 679 O THR A 416 -0.431 -29.593 6.611 1.00 0.00 O ATOM 680 CB THR A 416 -1.171 -30.646 9.717 1.00 0.00 C ATOM 681 OG1 THR A 416 -1.799 -29.389 9.520 1.00 0.00 O ATOM 682 CG2 THR A 416 -0.518 -30.689 11.102 1.00 0.00 C ATOM 0 H THR A 416 0.886 -29.155 8.465 1.00 0.00 H new ATOM 0 HA THR A 416 0.093 -31.990 8.607 1.00 0.00 H new ATOM 0 HB THR A 416 -1.917 -31.440 9.687 1.00 0.00 H new ATOM 0 HG1 THR A 416 -2.430 -29.220 10.251 1.00 0.00 H new ATOM 0 HG21 THR A 416 -1.268 -30.479 11.865 1.00 0.00 H new ATOM 0 HG22 THR A 416 -0.094 -31.678 11.274 1.00 0.00 H new ATOM 0 HG23 THR A 416 0.273 -29.941 11.155 1.00 0.00 H new ATOM 690 N SER A 417 -1.856 -31.329 6.852 1.00 0.00 N ATOM 691 CA SER A 417 -2.612 -31.060 5.639 1.00 0.00 C ATOM 692 C SER A 417 -3.150 -29.630 5.676 1.00 0.00 C ATOM 693 O SER A 417 -3.158 -28.949 4.655 1.00 0.00 O ATOM 694 CB SER A 417 -3.764 -32.061 5.519 1.00 0.00 C ATOM 695 OG SER A 417 -3.251 -33.368 5.401 1.00 0.00 O ATOM 0 H SER A 417 -2.181 -32.147 7.368 1.00 0.00 H new ATOM 0 HA SER A 417 -1.961 -31.168 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.410 -31.992 6.394 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.377 -31.821 4.650 1.00 0.00 H new ATOM 0 HG SER A 417 -3.992 -34.005 5.326 1.00 0.00 H new ATOM 701 N VAL A 418 -3.584 -29.175 6.858 1.00 0.00 N ATOM 702 CA VAL A 418 -4.103 -27.833 7.061 1.00 0.00 C ATOM 703 C VAL A 418 -2.984 -26.812 6.833 1.00 0.00 C ATOM 704 O VAL A 418 -3.162 -25.892 6.038 1.00 0.00 O ATOM 705 CB VAL A 418 -4.732 -27.694 8.460 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.342 -26.300 8.634 1.00 0.00 C ATOM 707 CG2 VAL A 418 -5.843 -28.724 8.692 1.00 0.00 C ATOM 0 H VAL A 418 -3.581 -29.742 7.706 1.00 0.00 H new ATOM 0 HA VAL A 418 -4.895 -27.638 6.338 1.00 0.00 H new ATOM 0 HB VAL A 418 -3.931 -27.860 9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -5.783 -26.217 9.628 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.564 -25.545 8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.114 -26.144 7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.260 -28.591 9.690 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -6.629 -28.585 7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -5.432 -29.729 8.601 1.00 0.00 H new ATOM 717 N MET A 419 -1.839 -26.968 7.516 1.00 0.00 N ATOM 718 CA MET A 419 -0.729 -26.028 7.360 1.00 0.00 C ATOM 719 C MET A 419 -0.296 -25.924 5.890 1.00 0.00 C ATOM 720 O MET A 419 -0.097 -24.824 5.376 1.00 0.00 O ATOM 721 CB MET A 419 0.458 -26.359 8.287 1.00 0.00 C ATOM 722 CG MET A 419 0.095 -26.610 9.757 1.00 0.00 C ATOM 723 SD MET A 419 -1.240 -25.606 10.467 1.00 0.00 S ATOM 724 CE MET A 419 -1.308 -26.341 12.118 1.00 0.00 C ATOM 0 H MET A 419 -1.663 -27.728 8.173 1.00 0.00 H new ATOM 0 HA MET A 419 -1.093 -25.048 7.669 1.00 0.00 H new ATOM 0 HB2 MET A 419 0.964 -27.243 7.899 1.00 0.00 H new ATOM 0 HB3 MET A 419 1.172 -25.537 8.242 1.00 0.00 H new ATOM 0 HG2 MET A 419 -0.180 -27.660 9.862 1.00 0.00 H new ATOM 0 HG3 MET A 419 0.991 -26.453 10.357 1.00 0.00 H new ATOM 0 HE1 MET A 419 -2.081 -25.845 12.705 1.00 0.00 H new ATOM 0 HE2 MET A 419 -1.540 -27.403 12.034 1.00 0.00 H new ATOM 0 HE3 MET A 419 -0.344 -26.219 12.611 1.00 0.00 H new ATOM 734 N LEU A 420 -0.165 -27.070 5.212 1.00 0.00 N ATOM 735 CA LEU A 420 0.222 -27.156 3.808 1.00 0.00 C ATOM 736 C LEU A 420 -0.806 -26.460 2.918 1.00 0.00 C ATOM 737 O LEU A 420 -0.441 -25.631 2.084 1.00 0.00 O ATOM 738 CB LEU A 420 0.387 -28.631 3.412 1.00 0.00 C ATOM 739 CG LEU A 420 1.633 -29.240 4.069 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.538 -30.764 4.148 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.896 -28.903 3.275 1.00 0.00 C ATOM 0 H LEU A 420 -0.330 -27.982 5.638 1.00 0.00 H new ATOM 0 HA LEU A 420 1.175 -26.645 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.498 -29.193 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.466 -28.714 2.328 1.00 0.00 H new ATOM 0 HG LEU A 420 1.687 -28.815 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 420 2.438 -31.161 4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.666 -31.044 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.443 -31.175 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.763 -29.348 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.807 -29.300 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 420 3.020 -27.821 3.230 1.00 0.00 H new ATOM 753 N LYS A 421 -2.087 -26.795 3.105 1.00 0.00 N ATOM 754 CA LYS A 421 -3.197 -26.221 2.362 1.00 0.00 C ATOM 755 C LYS A 421 -3.152 -24.697 2.469 1.00 0.00 C ATOM 756 O LYS A 421 -3.150 -24.015 1.448 1.00 0.00 O ATOM 757 CB LYS A 421 -4.519 -26.797 2.898 1.00 0.00 C ATOM 758 CG LYS A 421 -5.784 -26.211 2.246 1.00 0.00 C ATOM 759 CD LYS A 421 -6.819 -25.762 3.292 1.00 0.00 C ATOM 760 CE LYS A 421 -6.376 -24.520 4.064 1.00 0.00 C ATOM 761 NZ LYS A 421 -7.419 -23.989 4.965 1.00 0.00 N ATOM 0 H LYS A 421 -2.380 -27.488 3.794 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.122 -26.480 1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.516 -27.877 2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.566 -26.623 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -5.509 -25.361 1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -6.232 -26.957 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -7.767 -25.557 2.794 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -6.997 -26.577 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -5.489 -24.762 4.649 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -6.088 -23.744 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -7.132 -23.053 5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -8.316 -23.904 4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -7.545 -24.636 5.770 1.00 0.00 H new ATOM 775 N ASP A 422 -3.118 -24.159 3.694 1.00 0.00 N ATOM 776 CA ASP A 422 -3.091 -22.720 3.915 1.00 0.00 C ATOM 777 C ASP A 422 -1.848 -22.076 3.307 1.00 0.00 C ATOM 778 O ASP A 422 -1.974 -21.050 2.647 1.00 0.00 O ATOM 779 CB ASP A 422 -3.241 -22.384 5.401 1.00 0.00 C ATOM 780 CG ASP A 422 -4.673 -22.596 5.877 1.00 0.00 C ATOM 781 OD1 ASP A 422 -5.564 -21.859 5.391 1.00 0.00 O ATOM 782 OD2 ASP A 422 -4.883 -23.496 6.716 1.00 0.00 O ATOM 0 H ASP A 422 -3.109 -24.711 4.552 1.00 0.00 H new ATOM 0 HA ASP A 422 -3.950 -22.293 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -2.565 -23.007 5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -2.948 -21.348 5.573 1.00 0.00 H new ATOM 787 N ARG A 423 -0.657 -22.657 3.507 1.00 0.00 N ATOM 788 CA ARG A 423 0.569 -22.101 2.944 1.00 0.00 C ATOM 789 C ARG A 423 0.447 -21.975 1.427 1.00 0.00 C ATOM 790 O ARG A 423 0.596 -20.878 0.885 1.00 0.00 O ATOM 791 CB ARG A 423 1.788 -22.960 3.315 1.00 0.00 C ATOM 792 CG ARG A 423 3.091 -22.465 2.657 1.00 0.00 C ATOM 793 CD ARG A 423 3.512 -21.085 3.173 1.00 0.00 C ATOM 794 NE ARG A 423 4.856 -20.707 2.706 1.00 0.00 N ATOM 795 CZ ARG A 423 5.384 -19.471 2.771 1.00 0.00 C ATOM 796 NH1 ARG A 423 4.674 -18.447 3.252 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.638 -19.249 2.366 1.00 0.00 N ATOM 0 H ARG A 423 -0.522 -23.508 4.053 1.00 0.00 H new ATOM 0 HA ARG A 423 0.716 -21.108 3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 423 1.911 -22.960 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.604 -23.992 3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 423 3.889 -23.182 2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 423 2.956 -22.421 1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 423 2.790 -20.339 2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 423 3.494 -21.085 4.263 1.00 0.00 H new ATOM 0 HE ARG A 423 5.434 -21.442 2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 423 3.718 -18.597 3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 423 5.087 -17.516 3.295 1.00 0.00 H new ATOM 0 HH21 ARG A 423 7.201 -20.019 2.005 1.00 0.00 H new ATOM 0 HH22 ARG A 423 7.032 -18.310 2.418 1.00 0.00 H new ATOM 811 N TRP A 424 0.182 -23.094 0.742 1.00 0.00 N ATOM 812 CA TRP A 424 0.060 -23.096 -0.704 1.00 0.00 C ATOM 813 C TRP A 424 -1.056 -22.164 -1.167 1.00 0.00 C ATOM 814 O TRP A 424 -0.895 -21.479 -2.169 1.00 0.00 O ATOM 815 CB TRP A 424 -0.170 -24.512 -1.227 1.00 0.00 C ATOM 816 CG TRP A 424 -0.147 -24.600 -2.721 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.232 -24.569 -3.524 1.00 0.00 C ATOM 818 CD2 TRP A 424 1.001 -24.727 -3.611 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.844 -24.672 -4.841 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.527 -24.769 -4.956 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.396 -24.813 -3.421 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.392 -24.887 -6.054 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.273 -24.936 -4.515 1.00 0.00 C ATOM 824 CH2 TRP A 424 2.776 -24.972 -5.829 1.00 0.00 C ATOM 0 H TRP A 424 0.049 -24.008 1.176 1.00 0.00 H new ATOM 0 HA TRP A 424 0.998 -22.725 -1.116 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.596 -25.172 -0.819 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.131 -24.875 -0.863 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.253 -24.477 -3.184 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -1.489 -24.676 -5.631 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.798 -24.784 -2.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 0.999 -24.912 -7.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.337 -25.003 -4.343 1.00 0.00 H new ATOM 0 HH2 TRP A 424 3.456 -25.065 -6.663 1.00 0.00 H new ATOM 835 N ARG A 425 -2.182 -22.135 -0.450 1.00 0.00 N ATOM 836 CA ARG A 425 -3.316 -21.292 -0.786 1.00 0.00 C ATOM 837 C ARG A 425 -2.935 -19.812 -0.741 1.00 0.00 C ATOM 838 O ARG A 425 -3.196 -19.088 -1.699 1.00 0.00 O ATOM 839 CB ARG A 425 -4.481 -21.618 0.147 1.00 0.00 C ATOM 840 CG ARG A 425 -5.716 -20.785 -0.195 1.00 0.00 C ATOM 841 CD ARG A 425 -6.942 -21.349 0.522 1.00 0.00 C ATOM 842 NE ARG A 425 -6.855 -21.207 1.986 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.927 -21.079 2.784 1.00 0.00 C ATOM 844 NH1 ARG A 425 -9.158 -21.192 2.274 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.772 -20.842 4.092 1.00 0.00 N ATOM 0 H ARG A 425 -2.327 -22.703 0.385 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.630 -21.497 -1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.723 -22.678 0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -4.187 -21.429 1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.558 -19.747 0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -5.881 -20.789 -1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.836 -20.838 0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -7.054 -22.403 0.269 1.00 0.00 H new ATOM 0 HE ARG A 425 -5.930 -21.206 2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -9.283 -21.376 1.278 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.972 -21.095 2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -6.836 -20.758 4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -8.590 -20.746 4.693 1.00 0.00 H new ATOM 859 N THR A 426 -2.320 -19.358 0.355 1.00 0.00 N ATOM 860 CA THR A 426 -1.892 -17.975 0.512 1.00 0.00 C ATOM 861 C THR A 426 -0.891 -17.628 -0.589 1.00 0.00 C ATOM 862 O THR A 426 -1.043 -16.614 -1.268 1.00 0.00 O ATOM 863 CB THR A 426 -1.291 -17.766 1.910 1.00 0.00 C ATOM 864 OG1 THR A 426 -2.271 -18.057 2.885 1.00 0.00 O ATOM 865 CG2 THR A 426 -0.820 -16.321 2.107 1.00 0.00 C ATOM 0 H THR A 426 -2.106 -19.947 1.160 1.00 0.00 H new ATOM 0 HA THR A 426 -2.749 -17.307 0.419 1.00 0.00 H new ATOM 0 HB THR A 426 -0.432 -18.430 2.011 1.00 0.00 H new ATOM 0 HG1 THR A 426 -2.355 -19.028 2.984 1.00 0.00 H new ATOM 0 HG21 THR A 426 -0.400 -16.208 3.107 1.00 0.00 H new ATOM 0 HG22 THR A 426 -0.058 -16.082 1.365 1.00 0.00 H new ATOM 0 HG23 THR A 426 -1.666 -15.643 1.990 1.00 0.00 H new ATOM 873 N MET A 427 0.126 -18.480 -0.766 1.00 0.00 N ATOM 874 CA MET A 427 1.153 -18.290 -1.776 1.00 0.00 C ATOM 875 C MET A 427 0.522 -18.183 -3.166 1.00 0.00 C ATOM 876 O MET A 427 0.880 -17.302 -3.936 1.00 0.00 O ATOM 877 CB MET A 427 2.169 -19.437 -1.699 1.00 0.00 C ATOM 878 CG MET A 427 3.442 -19.108 -2.491 1.00 0.00 C ATOM 879 SD MET A 427 4.695 -20.416 -2.528 1.00 0.00 S ATOM 880 CE MET A 427 3.850 -21.608 -3.590 1.00 0.00 C ATOM 0 H MET A 427 0.253 -19.323 -0.205 1.00 0.00 H new ATOM 0 HA MET A 427 1.681 -17.355 -1.588 1.00 0.00 H new ATOM 0 HB2 MET A 427 2.426 -19.629 -0.657 1.00 0.00 H new ATOM 0 HB3 MET A 427 1.720 -20.350 -2.090 1.00 0.00 H new ATOM 0 HG2 MET A 427 3.160 -18.870 -3.517 1.00 0.00 H new ATOM 0 HG3 MET A 427 3.891 -18.210 -2.067 1.00 0.00 H new ATOM 0 HE1 MET A 427 4.532 -22.420 -3.840 1.00 0.00 H new ATOM 0 HE2 MET A 427 2.983 -22.011 -3.067 1.00 0.00 H new ATOM 0 HE3 MET A 427 3.524 -21.113 -4.505 1.00 0.00 H new ATOM 890 N LYS A 428 -0.417 -19.072 -3.492 1.00 0.00 N ATOM 891 CA LYS A 428 -1.113 -19.104 -4.768 1.00 0.00 C ATOM 892 C LYS A 428 -1.918 -17.825 -4.984 1.00 0.00 C ATOM 893 O LYS A 428 -1.794 -17.187 -6.025 1.00 0.00 O ATOM 894 CB LYS A 428 -2.007 -20.354 -4.817 1.00 0.00 C ATOM 895 CG LYS A 428 -2.837 -20.455 -6.106 1.00 0.00 C ATOM 896 CD LYS A 428 -3.390 -21.871 -6.332 1.00 0.00 C ATOM 897 CE LYS A 428 -4.330 -22.333 -5.210 1.00 0.00 C ATOM 898 NZ LYS A 428 -4.859 -23.684 -5.473 1.00 0.00 N ATOM 0 H LYS A 428 -0.719 -19.808 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 428 -0.387 -19.158 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -1.383 -21.243 -4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -2.680 -20.345 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -3.664 -19.747 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -2.219 -20.168 -6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -3.925 -21.899 -7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -2.559 -22.571 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -3.795 -22.329 -4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -5.157 -21.629 -5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -5.517 -23.953 -4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -5.361 -23.689 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -4.073 -24.364 -5.507 1.00 0.00 H new ATOM 912 N LYS A 429 -2.753 -17.463 -4.009 1.00 0.00 N ATOM 913 CA LYS A 429 -3.617 -16.296 -4.073 1.00 0.00 C ATOM 914 C LYS A 429 -2.838 -14.985 -4.216 1.00 0.00 C ATOM 915 O LYS A 429 -3.136 -14.194 -5.107 1.00 0.00 O ATOM 916 CB LYS A 429 -4.516 -16.275 -2.824 1.00 0.00 C ATOM 917 CG LYS A 429 -5.543 -15.132 -2.871 1.00 0.00 C ATOM 918 CD LYS A 429 -6.360 -15.010 -1.576 1.00 0.00 C ATOM 919 CE LYS A 429 -7.298 -16.203 -1.348 1.00 0.00 C ATOM 920 NZ LYS A 429 -8.205 -15.973 -0.206 1.00 0.00 N ATOM 0 H LYS A 429 -2.845 -17.986 -3.138 1.00 0.00 H new ATOM 0 HA LYS A 429 -4.229 -16.375 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -5.038 -17.228 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -3.896 -16.169 -1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -5.024 -14.192 -3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -6.221 -15.294 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -5.679 -14.923 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -6.948 -14.093 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -7.885 -16.382 -2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -6.707 -17.101 -1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -8.824 -16.800 -0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -7.645 -15.827 0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -8.786 -15.130 -0.388 1.00 0.00 H new