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 417 SER OG : rot 180:sc= 0.418 USER MOD Set 1.2: A 421 LYS NZ :NH3+ -174:sc= 1.08 (180deg=0.427) USER MOD Set 2.1: A 397 LYS NZ :NH3+ -178:sc= 1.8 (180deg=0.217) USER MOD Set 2.2: A 398 TYR OH : rot 30:sc= 0.475 USER MOD Set 2.3: A 410 TYR OH : rot 30:sc= 0.812 USER MOD Single : A 381 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 389 LYS NZ :NH3+ -159:sc= 1.04 (180deg=-0.165!) USER MOD Single : A 390 ASN :FLIP amide:sc= 0.984 F(o=0.31,f=0.98) USER MOD Single : A 393 SER OG : rot 78:sc= 0.339 USER MOD Single : A 402 ASN : amide:sc= -0.0742 K(o=-0.074,f=-0.84) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.46) USER MOD Single : A 411 LYS NZ :NH3+ 142:sc= 1.59 (180deg=0.0295) USER MOD Single : A 413 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.42) USER MOD Single : A 414 ASN : amide:sc= 0.525 K(o=0.53,f=-0.02) USER MOD Single : A 416 THR OG1 : rot -170:sc= -0.173 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 THR OG1 : rot 79:sc= 0.582 USER MOD Single : A 427 MET CE :methyl 175:sc= 0 (180deg=-0.0131) USER MOD Single : A 428 LYS NZ :NH3+ -174:sc= 0.981 (180deg=0.934) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.260 -20.021 12.648 1.00 0.00 N ATOM 72 CA GLN A 381 6.568 -20.482 12.207 1.00 0.00 C ATOM 73 C GLN A 381 6.727 -20.259 10.704 1.00 0.00 C ATOM 74 O GLN A 381 6.306 -21.104 9.914 1.00 0.00 O ATOM 75 CB GLN A 381 6.719 -21.978 12.519 1.00 0.00 C ATOM 76 CG GLN A 381 6.722 -22.289 14.020 1.00 0.00 C ATOM 77 CD GLN A 381 6.602 -23.791 14.266 1.00 0.00 C ATOM 78 OE1 GLN A 381 7.527 -24.414 14.783 1.00 0.00 O ATOM 79 NE2 GLN A 381 5.466 -24.383 13.897 1.00 0.00 N ATOM 0 HA GLN A 381 7.337 -19.917 12.734 1.00 0.00 H new ATOM 0 HB2 GLN A 381 5.905 -22.525 12.044 1.00 0.00 H new ATOM 0 HB3 GLN A 381 7.647 -22.342 12.078 1.00 0.00 H new ATOM 0 HG2 GLN A 381 7.641 -21.915 14.471 1.00 0.00 H new ATOM 0 HG3 GLN A 381 5.895 -21.770 14.505 1.00 0.00 H new ATOM 0 HE21 GLN A 381 4.720 -23.834 13.471 1.00 0.00 H new ATOM 0 HE22 GLN A 381 5.343 -25.385 14.041 1.00 0.00 H new ATOM 88 N ALA A 382 7.348 -19.141 10.310 1.00 0.00 N ATOM 89 CA ALA A 382 7.610 -18.793 8.917 1.00 0.00 C ATOM 90 C ALA A 382 8.235 -19.977 8.172 1.00 0.00 C ATOM 91 O ALA A 382 9.212 -20.554 8.647 1.00 0.00 O ATOM 92 CB ALA A 382 8.534 -17.574 8.862 1.00 0.00 C ATOM 0 H ALA A 382 7.688 -18.441 10.969 1.00 0.00 H new ATOM 0 HA ALA A 382 6.667 -18.550 8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 382 8.731 -17.313 7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 382 8.056 -16.732 9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.474 -17.807 9.361 1.00 0.00 H new ATOM 98 N TRP A 383 7.674 -20.350 7.016 1.00 0.00 N ATOM 99 CA TRP A 383 8.181 -21.453 6.215 1.00 0.00 C ATOM 100 C TRP A 383 9.541 -21.081 5.630 1.00 0.00 C ATOM 101 O TRP A 383 9.751 -19.963 5.160 1.00 0.00 O ATOM 102 CB TRP A 383 7.198 -21.854 5.116 1.00 0.00 C ATOM 103 CG TRP A 383 5.973 -22.619 5.538 1.00 0.00 C ATOM 104 CD1 TRP A 383 5.056 -22.237 6.456 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.519 -23.921 5.061 1.00 0.00 C ATOM 106 NE1 TRP A 383 4.070 -23.197 6.577 1.00 0.00 N ATOM 107 CE2 TRP A 383 4.310 -24.263 5.736 1.00 0.00 C ATOM 108 CE3 TRP A 383 6.010 -24.849 4.123 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.629 -25.466 5.488 1.00 0.00 C ATOM 110 CZ3 TRP A 383 5.342 -26.062 3.876 1.00 0.00 C ATOM 111 CH2 TRP A 383 4.152 -26.372 4.554 1.00 0.00 C ATOM 0 H TRP A 383 6.856 -19.891 6.616 1.00 0.00 H new ATOM 0 HA TRP A 383 8.300 -22.322 6.863 1.00 0.00 H new ATOM 0 HB2 TRP A 383 6.872 -20.947 4.607 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.736 -22.455 4.383 1.00 0.00 H new ATOM 0 HD1 TRP A 383 5.090 -21.313 7.015 1.00 0.00 H new ATOM 0 HE1 TRP A 383 3.270 -23.127 7.206 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.918 -24.625 3.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.712 -25.691 6.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.748 -26.761 3.159 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.642 -27.303 4.357 1.00 0.00 H new ATOM 122 N LEU A 384 10.454 -22.048 5.674 1.00 0.00 N ATOM 123 CA LEU A 384 11.820 -21.934 5.180 1.00 0.00 C ATOM 124 C LEU A 384 11.830 -22.266 3.684 1.00 0.00 C ATOM 125 O LEU A 384 10.857 -22.839 3.191 1.00 0.00 O ATOM 126 CB LEU A 384 12.684 -22.902 6.007 1.00 0.00 C ATOM 127 CG LEU A 384 14.201 -22.788 5.802 1.00 0.00 C ATOM 128 CD1 LEU A 384 14.721 -21.392 6.169 1.00 0.00 C ATOM 129 CD2 LEU A 384 14.897 -23.837 6.674 1.00 0.00 C ATOM 0 H LEU A 384 10.253 -22.966 6.070 1.00 0.00 H new ATOM 0 HA LEU A 384 12.223 -20.927 5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.466 -22.741 7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 384 12.380 -23.922 5.771 1.00 0.00 H new ATOM 0 HG LEU A 384 14.419 -22.957 4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 384 15.799 -21.352 6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 384 14.234 -20.646 5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 384 14.501 -21.185 7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 384 15.976 -23.766 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 384 14.652 -23.660 7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 384 14.559 -24.832 6.385 1.00 0.00 H new ATOM 141 N TRP A 385 12.913 -21.924 2.960 1.00 0.00 N ATOM 142 CA TRP A 385 13.004 -22.229 1.530 1.00 0.00 C ATOM 143 C TRP A 385 12.764 -23.701 1.368 1.00 0.00 C ATOM 144 O TRP A 385 11.803 -24.079 0.732 1.00 0.00 O ATOM 145 CB TRP A 385 14.362 -21.946 0.873 1.00 0.00 C ATOM 146 CG TRP A 385 15.228 -21.009 1.602 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.222 -19.695 1.391 1.00 0.00 C ATOM 148 CD2 TRP A 385 16.204 -21.264 2.635 1.00 0.00 C ATOM 149 NE1 TRP A 385 16.136 -19.082 2.232 1.00 0.00 N ATOM 150 CE2 TRP A 385 16.776 -20.024 3.030 1.00 0.00 C ATOM 151 CE3 TRP A 385 16.654 -22.431 3.275 1.00 0.00 C ATOM 152 CZ2 TRP A 385 17.763 -19.955 4.027 1.00 0.00 C ATOM 153 CZ3 TRP A 385 17.636 -22.380 4.274 1.00 0.00 C ATOM 154 CH2 TRP A 385 18.193 -21.143 4.652 1.00 0.00 C ATOM 0 H TRP A 385 13.726 -21.441 3.342 1.00 0.00 H new ATOM 0 HA TRP A 385 12.274 -21.581 1.045 1.00 0.00 H new ATOM 0 HB2 TRP A 385 14.894 -22.890 0.755 1.00 0.00 H new ATOM 0 HB3 TRP A 385 14.188 -21.551 -0.128 1.00 0.00 H new ATOM 0 HD1 TRP A 385 14.599 -19.184 0.672 1.00 0.00 H new ATOM 0 HE1 TRP A 385 16.315 -18.078 2.262 1.00 0.00 H new ATOM 0 HE3 TRP A 385 16.235 -23.385 2.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 18.187 -19.003 4.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 17.966 -23.290 4.754 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.950 -21.105 5.421 1.00 0.00 H new ATOM 165 N GLU A 386 13.645 -24.509 1.953 1.00 0.00 N ATOM 166 CA GLU A 386 13.566 -25.955 1.875 1.00 0.00 C ATOM 167 C GLU A 386 12.125 -26.457 2.017 1.00 0.00 C ATOM 168 O GLU A 386 11.713 -27.299 1.225 1.00 0.00 O ATOM 169 CB GLU A 386 14.566 -26.616 2.840 1.00 0.00 C ATOM 170 CG GLU A 386 16.052 -26.431 2.477 1.00 0.00 C ATOM 171 CD GLU A 386 16.341 -26.455 0.980 1.00 0.00 C ATOM 172 OE1 GLU A 386 16.314 -27.556 0.389 1.00 0.00 O ATOM 173 OE2 GLU A 386 16.578 -25.368 0.411 1.00 0.00 O ATOM 0 H GLU A 386 14.438 -24.170 2.498 1.00 0.00 H new ATOM 0 HA GLU A 386 13.871 -26.265 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 386 14.401 -26.214 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 386 14.350 -27.683 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 386 16.398 -25.482 2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 386 16.632 -27.217 2.960 1.00 0.00 H new ATOM 180 N GLU A 387 11.336 -25.934 2.965 1.00 0.00 N ATOM 181 CA GLU A 387 9.946 -26.348 3.087 1.00 0.00 C ATOM 182 C GLU A 387 9.128 -25.923 1.855 1.00 0.00 C ATOM 183 O GLU A 387 8.482 -26.760 1.235 1.00 0.00 O ATOM 184 CB GLU A 387 9.304 -25.792 4.360 1.00 0.00 C ATOM 185 CG GLU A 387 9.981 -26.223 5.659 1.00 0.00 C ATOM 186 CD GLU A 387 9.105 -25.813 6.836 1.00 0.00 C ATOM 187 OE1 GLU A 387 8.179 -26.590 7.153 1.00 0.00 O ATOM 188 OE2 GLU A 387 9.370 -24.735 7.416 1.00 0.00 O ATOM 0 H GLU A 387 11.637 -25.235 3.645 1.00 0.00 H new ATOM 0 HA GLU A 387 9.941 -27.436 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 387 9.310 -24.703 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 387 8.260 -26.104 4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 387 10.135 -27.302 5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.964 -25.760 5.742 1.00 0.00 H new ATOM 195 N ASP A 388 9.149 -24.631 1.502 1.00 0.00 N ATOM 196 CA ASP A 388 8.431 -24.056 0.361 1.00 0.00 C ATOM 197 C ASP A 388 8.779 -24.766 -0.946 1.00 0.00 C ATOM 198 O ASP A 388 7.940 -25.329 -1.641 1.00 0.00 O ATOM 199 CB ASP A 388 8.845 -22.588 0.230 1.00 0.00 C ATOM 200 CG ASP A 388 8.002 -21.878 -0.813 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.874 -21.481 -0.453 1.00 0.00 O ATOM 202 OD2 ASP A 388 8.500 -21.736 -1.950 1.00 0.00 O ATOM 0 H ASP A 388 9.685 -23.936 2.021 1.00 0.00 H new ATOM 0 HA ASP A 388 7.361 -24.166 0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 388 8.737 -22.088 1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 388 9.898 -22.526 -0.044 1.00 0.00 H new ATOM 207 N LYS A 389 10.070 -24.703 -1.234 1.00 0.00 N ATOM 208 CA LYS A 389 10.807 -25.268 -2.347 1.00 0.00 C ATOM 209 C LYS A 389 10.360 -26.727 -2.529 1.00 0.00 C ATOM 210 O LYS A 389 9.863 -27.104 -3.592 1.00 0.00 O ATOM 211 CB LYS A 389 12.303 -25.091 -2.000 1.00 0.00 C ATOM 212 CG LYS A 389 13.286 -25.751 -2.973 1.00 0.00 C ATOM 213 CD LYS A 389 14.690 -25.613 -2.366 1.00 0.00 C ATOM 214 CE LYS A 389 15.707 -26.588 -2.968 1.00 0.00 C ATOM 215 NZ LYS A 389 16.931 -26.632 -2.147 1.00 0.00 N ATOM 0 H LYS A 389 10.699 -24.191 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 389 10.623 -24.780 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.524 -24.025 -1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.478 -25.496 -1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 389 13.033 -26.801 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 389 13.241 -25.270 -3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 389 15.044 -24.593 -2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.631 -25.778 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 389 15.270 -27.584 -3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 389 15.955 -26.282 -3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 17.720 -26.993 -2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 17.157 -25.675 -1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 16.780 -27.259 -1.332 1.00 0.00 H new ATOM 229 N ASN A 390 10.522 -27.543 -1.480 1.00 0.00 N ATOM 230 CA ASN A 390 10.145 -28.950 -1.483 1.00 0.00 C ATOM 231 C ASN A 390 8.635 -29.139 -1.670 1.00 0.00 C ATOM 232 O ASN A 390 8.219 -30.013 -2.425 1.00 0.00 O ATOM 233 CB ASN A 390 10.654 -29.592 -0.189 1.00 0.00 C ATOM 234 CG ASN A 390 10.510 -31.106 -0.127 1.00 0.00 C ATOM 235 OD1 ASN A 390 10.739 -31.659 1.064 1.00 0.00 O flip ATOM 236 ND2 ASN A 390 10.232 -31.766 -1.124 1.00 0.00 N flip ATOM 0 H ASN A 390 10.925 -27.234 -0.596 1.00 0.00 H new ATOM 0 HA ASN A 390 10.608 -29.448 -2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 390 11.706 -29.336 -0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 390 10.116 -29.155 0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 390 10.065 -31.298 -2.015 1.00 0.00 H new ATOM 0 HD22 ASN A 390 10.168 -32.782 -1.061 1.00 0.00 H new ATOM 243 N LEU A 391 7.806 -28.324 -1.003 1.00 0.00 N ATOM 244 CA LEU A 391 6.350 -28.385 -1.108 1.00 0.00 C ATOM 245 C LEU A 391 5.934 -28.224 -2.568 1.00 0.00 C ATOM 246 O LEU A 391 5.167 -29.033 -3.082 1.00 0.00 O ATOM 247 CB LEU A 391 5.699 -27.322 -0.206 1.00 0.00 C ATOM 248 CG LEU A 391 4.164 -27.290 -0.285 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.561 -28.575 0.286 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.626 -26.085 0.494 1.00 0.00 C ATOM 0 H LEU A 391 8.136 -27.597 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 391 6.001 -29.358 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.996 -27.505 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.087 -26.341 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 391 3.879 -27.206 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.474 -28.528 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.923 -29.431 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.856 -28.683 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.538 -26.069 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.930 -26.161 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 391 4.027 -25.166 0.066 1.00 0.00 H new ATOM 262 N ARG A 392 6.454 -27.190 -3.236 1.00 0.00 N ATOM 263 CA ARG A 392 6.191 -26.898 -4.638 1.00 0.00 C ATOM 264 C ARG A 392 6.541 -28.125 -5.482 1.00 0.00 C ATOM 265 O ARG A 392 5.721 -28.577 -6.283 1.00 0.00 O ATOM 266 CB ARG A 392 7.000 -25.660 -5.032 1.00 0.00 C ATOM 267 CG ARG A 392 6.806 -25.231 -6.492 1.00 0.00 C ATOM 268 CD ARG A 392 7.710 -24.041 -6.850 1.00 0.00 C ATOM 269 NE ARG A 392 7.340 -22.817 -6.122 1.00 0.00 N ATOM 270 CZ ARG A 392 7.792 -22.436 -4.913 1.00 0.00 C ATOM 271 NH1 ARG A 392 8.713 -23.146 -4.255 1.00 0.00 N ATOM 272 NH2 ARG A 392 7.314 -21.337 -4.323 1.00 0.00 N ATOM 0 H ARG A 392 7.086 -26.518 -2.800 1.00 0.00 H new ATOM 0 HA ARG A 392 5.137 -26.680 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 392 6.720 -24.832 -4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.058 -25.859 -4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 392 7.027 -26.070 -7.152 1.00 0.00 H new ATOM 0 HG3 ARG A 392 5.763 -24.961 -6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 392 8.746 -24.295 -6.626 1.00 0.00 H new ATOM 0 HD3 ARG A 392 7.653 -23.854 -7.922 1.00 0.00 H new ATOM 0 HE ARG A 392 6.674 -22.195 -6.580 1.00 0.00 H new ATOM 0 HH11 ARG A 392 9.090 -23.999 -4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 392 9.039 -22.835 -3.340 1.00 0.00 H new ATOM 0 HH21 ARG A 392 6.600 -20.778 -4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 392 7.663 -21.057 -3.407 1.00 0.00 H new ATOM 286 N SER A 393 7.749 -28.676 -5.285 1.00 0.00 N ATOM 287 CA SER A 393 8.174 -29.874 -5.997 1.00 0.00 C ATOM 288 C SER A 393 7.163 -31.003 -5.767 1.00 0.00 C ATOM 289 O SER A 393 6.795 -31.705 -6.705 1.00 0.00 O ATOM 290 CB SER A 393 9.581 -30.288 -5.552 1.00 0.00 C ATOM 291 OG SER A 393 10.481 -29.210 -5.706 1.00 0.00 O ATOM 0 H SER A 393 8.443 -28.305 -4.637 1.00 0.00 H new ATOM 0 HA SER A 393 8.212 -29.662 -7.065 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.561 -30.608 -4.510 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.920 -31.140 -6.141 1.00 0.00 H new ATOM 0 HG SER A 393 10.365 -28.578 -4.966 1.00 0.00 H new ATOM 297 N GLY A 394 6.705 -31.160 -4.520 1.00 0.00 N ATOM 298 CA GLY A 394 5.725 -32.155 -4.120 1.00 0.00 C ATOM 299 C GLY A 394 4.424 -31.986 -4.903 1.00 0.00 C ATOM 300 O GLY A 394 3.934 -32.949 -5.485 1.00 0.00 O ATOM 0 H GLY A 394 7.020 -30.577 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 394 6.127 -33.154 -4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.525 -32.066 -3.052 1.00 0.00 H new ATOM 304 N VAL A 395 3.866 -30.771 -4.936 1.00 0.00 N ATOM 305 CA VAL A 395 2.635 -30.488 -5.663 1.00 0.00 C ATOM 306 C VAL A 395 2.793 -30.873 -7.132 1.00 0.00 C ATOM 307 O VAL A 395 1.910 -31.511 -7.696 1.00 0.00 O ATOM 308 CB VAL A 395 2.216 -29.016 -5.501 1.00 0.00 C ATOM 309 CG1 VAL A 395 1.001 -28.697 -6.386 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.827 -28.737 -4.047 1.00 0.00 C ATOM 0 H VAL A 395 4.259 -29.960 -4.458 1.00 0.00 H new ATOM 0 HA VAL A 395 1.834 -31.093 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 395 3.062 -28.395 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.721 -27.652 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.254 -28.878 -7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.165 -29.335 -6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.532 -27.693 -3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 395 0.993 -29.379 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.678 -28.940 -3.397 1.00 0.00 H new ATOM 320 N ARG A 396 3.910 -30.501 -7.762 1.00 0.00 N ATOM 321 CA ARG A 396 4.126 -30.840 -9.161 1.00 0.00 C ATOM 322 C ARG A 396 4.271 -32.359 -9.349 1.00 0.00 C ATOM 323 O ARG A 396 3.795 -32.906 -10.340 1.00 0.00 O ATOM 324 CB ARG A 396 5.347 -30.075 -9.699 1.00 0.00 C ATOM 325 CG ARG A 396 5.317 -29.930 -11.230 1.00 0.00 C ATOM 326 CD ARG A 396 4.397 -28.784 -11.680 1.00 0.00 C ATOM 327 NE ARG A 396 4.345 -28.687 -13.149 1.00 0.00 N ATOM 328 CZ ARG A 396 3.960 -27.612 -13.855 1.00 0.00 C ATOM 329 NH1 ARG A 396 3.538 -26.489 -13.261 1.00 0.00 N ATOM 330 NH2 ARG A 396 3.999 -27.662 -15.189 1.00 0.00 N ATOM 0 H ARG A 396 4.667 -29.972 -7.328 1.00 0.00 H new ATOM 0 HA ARG A 396 3.253 -30.536 -9.738 1.00 0.00 H new ATOM 0 HB2 ARG A 396 5.383 -29.086 -9.243 1.00 0.00 H new ATOM 0 HB3 ARG A 396 6.258 -30.595 -9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 396 6.327 -29.750 -11.597 1.00 0.00 H new ATOM 0 HG3 ARG A 396 4.977 -30.865 -11.676 1.00 0.00 H new ATOM 0 HD2 ARG A 396 3.393 -28.945 -11.288 1.00 0.00 H new ATOM 0 HD3 ARG A 396 4.754 -27.842 -11.263 1.00 0.00 H new ATOM 0 HE ARG A 396 4.627 -29.512 -13.678 1.00 0.00 H new ATOM 0 HH11 ARG A 396 3.502 -26.433 -12.243 1.00 0.00 H new ATOM 0 HH12 ARG A 396 3.252 -25.689 -13.826 1.00 0.00 H new ATOM 0 HH21 ARG A 396 4.318 -28.509 -15.658 1.00 0.00 H new ATOM 0 HH22 ARG A 396 3.709 -26.853 -15.738 1.00 0.00 H new ATOM 344 N LYS A 397 4.939 -33.037 -8.407 1.00 0.00 N ATOM 345 CA LYS A 397 5.207 -34.472 -8.450 1.00 0.00 C ATOM 346 C LYS A 397 4.040 -35.370 -8.023 1.00 0.00 C ATOM 347 O LYS A 397 4.051 -36.549 -8.374 1.00 0.00 O ATOM 348 CB LYS A 397 6.492 -34.750 -7.656 1.00 0.00 C ATOM 349 CG LYS A 397 7.083 -36.141 -7.934 1.00 0.00 C ATOM 350 CD LYS A 397 8.619 -36.129 -7.864 1.00 0.00 C ATOM 351 CE LYS A 397 9.182 -35.722 -6.496 1.00 0.00 C ATOM 352 NZ LYS A 397 9.110 -36.814 -5.510 1.00 0.00 N ATOM 0 H LYS A 397 5.316 -32.586 -7.573 1.00 0.00 H new ATOM 0 HA LYS A 397 5.344 -34.746 -9.496 1.00 0.00 H new ATOM 0 HB2 LYS A 397 7.235 -33.991 -7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 397 6.281 -34.658 -6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 397 6.691 -36.855 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 397 6.766 -36.481 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 397 8.991 -37.122 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 397 9.001 -35.443 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 397 10.220 -35.409 -6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 397 8.629 -34.861 -6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 9.471 -36.479 -4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 8.122 -37.120 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 9.687 -37.615 -5.837 1.00 0.00 H new ATOM 366 N TYR A 398 3.055 -34.859 -7.270 1.00 0.00 N ATOM 367 CA TYR A 398 1.931 -35.659 -6.777 1.00 0.00 C ATOM 368 C TYR A 398 0.550 -35.037 -6.988 1.00 0.00 C ATOM 369 O TYR A 398 -0.446 -35.681 -6.665 1.00 0.00 O ATOM 370 CB TYR A 398 2.179 -35.992 -5.301 1.00 0.00 C ATOM 371 CG TYR A 398 3.498 -36.712 -5.107 1.00 0.00 C ATOM 372 CD1 TYR A 398 3.640 -38.037 -5.552 1.00 0.00 C ATOM 373 CD2 TYR A 398 4.587 -36.053 -4.509 1.00 0.00 C ATOM 374 CE1 TYR A 398 4.867 -38.703 -5.402 1.00 0.00 C ATOM 375 CE2 TYR A 398 5.813 -36.718 -4.360 1.00 0.00 C ATOM 376 CZ TYR A 398 5.952 -38.042 -4.804 1.00 0.00 C ATOM 377 OH TYR A 398 7.152 -38.675 -4.662 1.00 0.00 O ATOM 0 H TYR A 398 3.018 -33.880 -6.987 1.00 0.00 H new ATOM 0 HA TYR A 398 1.899 -36.567 -7.379 1.00 0.00 H new ATOM 0 HB2 TYR A 398 2.175 -35.073 -4.714 1.00 0.00 H new ATOM 0 HB3 TYR A 398 1.366 -36.613 -4.926 1.00 0.00 H new ATOM 0 HD1 TYR A 398 2.804 -38.544 -6.010 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.479 -35.035 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 398 4.976 -39.721 -5.746 1.00 0.00 H new ATOM 0 HE2 TYR A 398 6.650 -36.211 -3.903 1.00 0.00 H new ATOM 0 HH TYR A 398 7.267 -39.324 -5.387 1.00 0.00 H new ATOM 387 N GLY A 399 0.475 -33.818 -7.531 1.00 0.00 N ATOM 388 CA GLY A 399 -0.771 -33.118 -7.802 1.00 0.00 C ATOM 389 C GLY A 399 -1.275 -32.333 -6.592 1.00 0.00 C ATOM 390 O GLY A 399 -0.959 -32.657 -5.448 1.00 0.00 O ATOM 0 H GLY A 399 1.302 -33.284 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.626 -32.435 -8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.530 -33.839 -8.106 1.00 0.00 H new ATOM 394 N GLU A 400 -2.078 -31.295 -6.857 1.00 0.00 N ATOM 395 CA GLU A 400 -2.683 -30.467 -5.825 1.00 0.00 C ATOM 396 C GLU A 400 -3.879 -31.258 -5.284 1.00 0.00 C ATOM 397 O GLU A 400 -4.585 -31.905 -6.057 1.00 0.00 O ATOM 398 CB GLU A 400 -3.081 -29.101 -6.414 1.00 0.00 C ATOM 399 CG GLU A 400 -3.315 -28.063 -5.309 1.00 0.00 C ATOM 400 CD GLU A 400 -3.626 -26.666 -5.840 1.00 0.00 C ATOM 401 OE1 GLU A 400 -2.890 -26.199 -6.740 1.00 0.00 O ATOM 402 OE2 GLU A 400 -4.553 -26.025 -5.303 1.00 0.00 O ATOM 0 H GLU A 400 -2.324 -31.010 -7.805 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.995 -30.248 -5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.297 -28.750 -7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.987 -29.210 -7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.140 -28.395 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.430 -28.013 -4.675 1.00 0.00 H new ATOM 409 N GLY A 401 -4.099 -31.235 -3.966 1.00 0.00 N ATOM 410 CA GLY A 401 -5.183 -31.985 -3.342 1.00 0.00 C ATOM 411 C GLY A 401 -4.761 -33.424 -3.047 1.00 0.00 C ATOM 412 O GLY A 401 -5.583 -34.337 -3.081 1.00 0.00 O ATOM 0 H GLY A 401 -3.533 -30.698 -3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.483 -31.494 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -6.053 -31.986 -3.998 1.00 0.00 H new ATOM 416 N ASN A 402 -3.472 -33.615 -2.743 1.00 0.00 N ATOM 417 CA ASN A 402 -2.849 -34.890 -2.400 1.00 0.00 C ATOM 418 C ASN A 402 -1.826 -34.573 -1.311 1.00 0.00 C ATOM 419 O ASN A 402 -0.669 -34.988 -1.369 1.00 0.00 O ATOM 420 CB ASN A 402 -2.185 -35.501 -3.644 1.00 0.00 C ATOM 421 CG ASN A 402 -3.179 -35.733 -4.780 1.00 0.00 C ATOM 422 OD1 ASN A 402 -3.206 -34.989 -5.756 1.00 0.00 O ATOM 423 ND2 ASN A 402 -4.007 -36.771 -4.659 1.00 0.00 N ATOM 0 H ASN A 402 -2.805 -32.843 -2.730 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.573 -35.623 -2.044 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -1.390 -34.840 -3.990 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -1.718 -36.448 -3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -4.690 -36.967 -5.391 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -3.958 -37.369 -3.834 1.00 0.00 H new ATOM 430 N TRP A 403 -2.266 -33.794 -0.323 1.00 0.00 N ATOM 431 CA TRP A 403 -1.457 -33.310 0.778 1.00 0.00 C ATOM 432 C TRP A 403 -1.042 -34.427 1.711 1.00 0.00 C ATOM 433 O TRP A 403 0.103 -34.440 2.146 1.00 0.00 O ATOM 434 CB TRP A 403 -2.203 -32.190 1.492 1.00 0.00 C ATOM 435 CG TRP A 403 -2.710 -31.175 0.530 1.00 0.00 C ATOM 436 CD1 TRP A 403 -3.997 -30.966 0.185 1.00 0.00 C ATOM 437 CD2 TRP A 403 -1.926 -30.233 -0.241 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.069 -29.949 -0.742 1.00 0.00 N ATOM 439 CE2 TRP A 403 -2.813 -29.460 -1.042 1.00 0.00 C ATOM 440 CE3 TRP A 403 -0.547 -29.962 -0.342 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -2.350 -28.457 -1.901 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.072 -28.963 -1.203 1.00 0.00 C ATOM 443 CH2 TRP A 403 -0.969 -28.216 -1.978 1.00 0.00 C ATOM 0 H TRP A 403 -3.233 -33.475 -0.272 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.525 -32.904 0.386 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -3.037 -32.608 2.055 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.540 -31.711 2.213 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.843 -31.513 0.576 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -4.936 -29.603 -1.153 1.00 0.00 H new ATOM 0 HE3 TRP A 403 0.153 -30.531 0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -3.043 -27.879 -2.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.988 -28.769 -1.269 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -0.595 -27.449 -2.640 1.00 0.00 H new ATOM 454 N SER A 404 -1.943 -35.368 2.008 1.00 0.00 N ATOM 455 CA SER A 404 -1.605 -36.497 2.864 1.00 0.00 C ATOM 456 C SER A 404 -0.389 -37.224 2.274 1.00 0.00 C ATOM 457 O SER A 404 0.582 -37.502 2.974 1.00 0.00 O ATOM 458 CB SER A 404 -2.825 -37.413 3.012 1.00 0.00 C ATOM 459 OG SER A 404 -3.273 -37.869 1.750 1.00 0.00 O ATOM 0 H SER A 404 -2.905 -35.367 1.668 1.00 0.00 H new ATOM 0 HA SER A 404 -1.336 -36.159 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.570 -38.266 3.641 1.00 0.00 H new ATOM 0 HB3 SER A 404 -3.629 -36.875 3.515 1.00 0.00 H new ATOM 0 HG SER A 404 -4.051 -38.453 1.870 1.00 0.00 H new ATOM 465 N LYS A 405 -0.449 -37.500 0.966 1.00 0.00 N ATOM 466 CA LYS A 405 0.599 -38.157 0.201 1.00 0.00 C ATOM 467 C LYS A 405 1.893 -37.333 0.240 1.00 0.00 C ATOM 468 O LYS A 405 2.942 -37.853 0.623 1.00 0.00 O ATOM 469 CB LYS A 405 0.074 -38.390 -1.225 1.00 0.00 C ATOM 470 CG LYS A 405 1.053 -39.161 -2.116 1.00 0.00 C ATOM 471 CD LYS A 405 0.531 -39.309 -3.552 1.00 0.00 C ATOM 472 CE LYS A 405 -0.690 -40.231 -3.667 1.00 0.00 C ATOM 473 NZ LYS A 405 -1.147 -40.348 -5.066 1.00 0.00 N ATOM 0 H LYS A 405 -1.261 -37.260 0.397 1.00 0.00 H new ATOM 0 HA LYS A 405 0.852 -39.124 0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -0.867 -38.938 -1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 405 -0.144 -37.427 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 405 2.013 -38.645 -2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 405 1.229 -40.149 -1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 405 0.270 -38.324 -3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 405 1.331 -39.698 -4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -0.439 -41.219 -3.281 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -1.500 -39.843 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -1.973 -40.978 -5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -1.409 -39.408 -5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -0.381 -40.741 -5.650 1.00 0.00 H new ATOM 487 N ILE A 406 1.823 -36.052 -0.149 1.00 0.00 N ATOM 488 CA ILE A 406 2.971 -35.144 -0.161 1.00 0.00 C ATOM 489 C ILE A 406 3.660 -35.120 1.209 1.00 0.00 C ATOM 490 O ILE A 406 4.881 -35.236 1.282 1.00 0.00 O ATOM 491 CB ILE A 406 2.533 -33.741 -0.631 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.192 -33.778 -2.133 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.631 -32.696 -0.391 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.347 -32.583 -2.588 1.00 0.00 C ATOM 0 H ILE A 406 0.957 -35.616 -0.467 1.00 0.00 H new ATOM 0 HA ILE A 406 3.711 -35.508 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 406 1.655 -33.456 -0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.117 -33.801 -2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.655 -34.700 -2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.286 -31.721 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 406 3.859 -32.646 0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.528 -32.978 -0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.141 -32.668 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.407 -32.571 -2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 406 1.891 -31.658 -2.396 1.00 0.00 H new ATOM 506 N LEU A 407 2.878 -34.982 2.285 1.00 0.00 N ATOM 507 CA LEU A 407 3.354 -34.957 3.663 1.00 0.00 C ATOM 508 C LEU A 407 4.028 -36.293 3.991 1.00 0.00 C ATOM 509 O LEU A 407 5.081 -36.324 4.624 1.00 0.00 O ATOM 510 CB LEU A 407 2.163 -34.656 4.591 1.00 0.00 C ATOM 511 CG LEU A 407 2.500 -34.026 5.954 1.00 0.00 C ATOM 512 CD1 LEU A 407 1.181 -33.784 6.698 1.00 0.00 C ATOM 513 CD2 LEU A 407 3.418 -34.883 6.831 1.00 0.00 C ATOM 0 H LEU A 407 1.865 -34.882 2.213 1.00 0.00 H new ATOM 0 HA LEU A 407 4.099 -34.174 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 407 1.481 -33.988 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 407 1.624 -35.587 4.769 1.00 0.00 H new ATOM 0 HG LEU A 407 3.046 -33.103 5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 407 1.388 -33.337 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 407 0.553 -33.110 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 407 0.663 -34.733 6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 407 3.606 -34.368 7.773 1.00 0.00 H new ATOM 0 HD22 LEU A 407 2.939 -35.841 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 407 4.363 -35.051 6.314 1.00 0.00 H new ATOM 525 N LEU A 408 3.435 -37.412 3.552 1.00 0.00 N ATOM 526 CA LEU A 408 4.004 -38.730 3.798 1.00 0.00 C ATOM 527 C LEU A 408 5.418 -38.803 3.226 1.00 0.00 C ATOM 528 O LEU A 408 6.338 -39.234 3.920 1.00 0.00 O ATOM 529 CB LEU A 408 3.103 -39.847 3.235 1.00 0.00 C ATOM 530 CG LEU A 408 2.480 -40.762 4.303 1.00 0.00 C ATOM 531 CD1 LEU A 408 3.543 -41.548 5.081 1.00 0.00 C ATOM 532 CD2 LEU A 408 1.554 -39.999 5.259 1.00 0.00 C ATOM 0 H LEU A 408 2.562 -37.423 3.025 1.00 0.00 H new ATOM 0 HA LEU A 408 4.062 -38.887 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 408 2.302 -39.392 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 408 3.689 -40.458 2.548 1.00 0.00 H new ATOM 0 HG LEU A 408 1.866 -41.482 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 408 3.057 -42.180 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 408 4.112 -42.171 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 408 4.216 -40.852 5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 408 1.140 -40.690 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 408 2.121 -39.222 5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 408 0.742 -39.543 4.692 1.00 0.00 H new ATOM 544 N HIS A 409 5.598 -38.372 1.974 1.00 0.00 N ATOM 545 CA HIS A 409 6.905 -38.376 1.337 1.00 0.00 C ATOM 546 C HIS A 409 7.856 -37.398 2.033 1.00 0.00 C ATOM 547 O HIS A 409 8.920 -37.793 2.515 1.00 0.00 O ATOM 548 CB HIS A 409 6.778 -37.991 -0.145 1.00 0.00 C ATOM 549 CG HIS A 409 5.935 -38.924 -0.970 1.00 0.00 C ATOM 550 ND1 HIS A 409 6.268 -40.253 -1.181 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.758 -38.733 -1.652 1.00 0.00 C ATOM 552 CE1 HIS A 409 5.308 -40.786 -1.956 1.00 0.00 C ATOM 553 NE2 HIS A 409 4.356 -39.908 -2.279 1.00 0.00 N ATOM 0 H HIS A 409 4.846 -38.015 1.384 1.00 0.00 H new ATOM 0 HA HIS A 409 7.312 -39.384 1.418 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.355 -36.988 -0.210 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.776 -37.945 -0.581 1.00 0.00 H new ATOM 0 HD2 HIS A 409 4.218 -37.798 -1.696 1.00 0.00 H new ATOM 0 HE1 HIS A 409 5.307 -41.815 -2.283 1.00 0.00 H new ATOM 0 HE2 HIS A 409 3.527 -40.063 -2.852 1.00 0.00 H new ATOM 561 N TYR A 410 7.468 -36.120 2.051 1.00 0.00 N ATOM 562 CA TYR A 410 8.236 -35.007 2.581 1.00 0.00 C ATOM 563 C TYR A 410 7.754 -34.562 3.957 1.00 0.00 C ATOM 564 O TYR A 410 6.642 -34.067 4.111 1.00 0.00 O ATOM 565 CB TYR A 410 8.163 -33.865 1.565 1.00 0.00 C ATOM 566 CG TYR A 410 8.736 -34.225 0.202 1.00 0.00 C ATOM 567 CD1 TYR A 410 10.049 -34.722 0.100 1.00 0.00 C ATOM 568 CD2 TYR A 410 7.963 -34.064 -0.964 1.00 0.00 C ATOM 569 CE1 TYR A 410 10.586 -35.054 -1.153 1.00 0.00 C ATOM 570 CE2 TYR A 410 8.502 -34.398 -2.220 1.00 0.00 C ATOM 571 CZ TYR A 410 9.814 -34.890 -2.313 1.00 0.00 C ATOM 572 OH TYR A 410 10.344 -35.215 -3.529 1.00 0.00 O ATOM 0 H TYR A 410 6.566 -35.827 1.677 1.00 0.00 H new ATOM 0 HA TYR A 410 9.269 -35.322 2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.123 -33.563 1.444 1.00 0.00 H new ATOM 0 HB3 TYR A 410 8.701 -33.003 1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.646 -34.848 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 410 6.955 -33.683 -0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 410 11.594 -35.436 -1.225 1.00 0.00 H new ATOM 0 HE2 TYR A 410 7.907 -34.276 -3.113 1.00 0.00 H new ATOM 0 HH TYR A 410 10.995 -35.939 -3.419 1.00 0.00 H new ATOM 582 N LYS A 411 8.619 -34.743 4.957 1.00 0.00 N ATOM 583 CA LYS A 411 8.374 -34.408 6.348 1.00 0.00 C ATOM 584 C LYS A 411 8.860 -32.979 6.613 1.00 0.00 C ATOM 585 O LYS A 411 10.047 -32.753 6.840 1.00 0.00 O ATOM 586 CB LYS A 411 9.104 -35.444 7.211 1.00 0.00 C ATOM 587 CG LYS A 411 8.585 -36.870 6.937 1.00 0.00 C ATOM 588 CD LYS A 411 9.762 -37.843 6.787 1.00 0.00 C ATOM 589 CE LYS A 411 9.327 -39.247 6.343 1.00 0.00 C ATOM 590 NZ LYS A 411 8.812 -39.274 4.959 1.00 0.00 N ATOM 0 H LYS A 411 9.545 -35.144 4.806 1.00 0.00 H new ATOM 0 HA LYS A 411 7.312 -34.437 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.174 -35.399 7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 411 8.969 -35.202 8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 411 7.939 -37.193 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 411 7.980 -36.877 6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.468 -37.441 6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 411 10.289 -37.916 7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 411 10.174 -39.928 6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 411 8.556 -39.615 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 9.124 -40.148 4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 7.773 -39.241 4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 9.176 -38.452 4.437 1.00 0.00 H new ATOM 604 N PHE A 412 7.931 -32.019 6.573 1.00 0.00 N ATOM 605 CA PHE A 412 8.189 -30.596 6.783 1.00 0.00 C ATOM 606 C PHE A 412 8.369 -30.270 8.274 1.00 0.00 C ATOM 607 O PHE A 412 8.296 -31.166 9.116 1.00 0.00 O ATOM 608 CB PHE A 412 7.035 -29.811 6.152 1.00 0.00 C ATOM 609 CG PHE A 412 6.822 -30.122 4.682 1.00 0.00 C ATOM 610 CD1 PHE A 412 7.576 -29.440 3.712 1.00 0.00 C ATOM 611 CD2 PHE A 412 5.885 -31.092 4.280 1.00 0.00 C ATOM 612 CE1 PHE A 412 7.397 -29.727 2.348 1.00 0.00 C ATOM 613 CE2 PHE A 412 5.709 -31.379 2.916 1.00 0.00 C ATOM 614 CZ PHE A 412 6.464 -30.696 1.949 1.00 0.00 C ATOM 0 H PHE A 412 6.948 -32.220 6.387 1.00 0.00 H new ATOM 0 HA PHE A 412 9.126 -30.309 6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 412 6.117 -30.029 6.698 1.00 0.00 H new ATOM 0 HB3 PHE A 412 7.227 -28.744 6.265 1.00 0.00 H new ATOM 0 HD1 PHE A 412 8.295 -28.693 4.015 1.00 0.00 H new ATOM 0 HD2 PHE A 412 5.300 -31.617 5.021 1.00 0.00 H new ATOM 0 HE1 PHE A 412 7.979 -29.201 1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 412 4.992 -32.126 2.611 1.00 0.00 H new ATOM 0 HZ PHE A 412 6.327 -30.916 0.901 1.00 0.00 H new ATOM 624 N ASN A 413 8.608 -28.995 8.617 1.00 0.00 N ATOM 625 CA ASN A 413 8.813 -28.572 10.003 1.00 0.00 C ATOM 626 C ASN A 413 7.485 -28.508 10.760 1.00 0.00 C ATOM 627 O ASN A 413 6.973 -27.424 11.035 1.00 0.00 O ATOM 628 CB ASN A 413 9.553 -27.223 10.075 1.00 0.00 C ATOM 629 CG ASN A 413 10.971 -27.280 9.509 1.00 0.00 C ATOM 630 OD1 ASN A 413 11.703 -28.236 9.752 1.00 0.00 O ATOM 631 ND2 ASN A 413 11.383 -26.251 8.768 1.00 0.00 N ATOM 0 H ASN A 413 8.664 -28.233 7.941 1.00 0.00 H new ATOM 0 HA ASN A 413 9.441 -29.320 10.486 1.00 0.00 H new ATOM 0 HB2 ASN A 413 8.981 -26.473 9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 413 9.597 -26.896 11.114 1.00 0.00 H new ATOM 0 HD21 ASN A 413 12.329 -26.244 8.386 1.00 0.00 H new ATOM 0 HD22 ASN A 413 10.752 -25.471 8.583 1.00 0.00 H new ATOM 638 N ASN A 414 6.939 -29.681 11.102 1.00 0.00 N ATOM 639 CA ASN A 414 5.689 -29.839 11.838 1.00 0.00 C ATOM 640 C ASN A 414 4.556 -29.095 11.125 1.00 0.00 C ATOM 641 O ASN A 414 3.955 -28.175 11.680 1.00 0.00 O ATOM 642 CB ASN A 414 5.889 -29.406 13.302 1.00 0.00 C ATOM 643 CG ASN A 414 4.774 -29.901 14.222 1.00 0.00 C ATOM 644 OD1 ASN A 414 4.966 -30.855 14.973 1.00 0.00 O ATOM 645 ND2 ASN A 414 3.609 -29.258 14.187 1.00 0.00 N ATOM 0 H ASN A 414 7.373 -30.573 10.864 1.00 0.00 H new ATOM 0 HA ASN A 414 5.393 -30.888 11.861 1.00 0.00 H new ATOM 0 HB2 ASN A 414 6.846 -29.785 13.661 1.00 0.00 H new ATOM 0 HB3 ASN A 414 5.939 -28.318 13.351 1.00 0.00 H new ATOM 0 HD21 ASN A 414 2.845 -29.554 14.795 1.00 0.00 H new ATOM 0 HD22 ASN A 414 3.480 -28.470 13.553 1.00 0.00 H new ATOM 652 N ARG A 415 4.277 -29.500 9.882 1.00 0.00 N ATOM 653 CA ARG A 415 3.244 -28.906 9.048 1.00 0.00 C ATOM 654 C ARG A 415 2.170 -29.949 8.758 1.00 0.00 C ATOM 655 O ARG A 415 2.447 -30.953 8.103 1.00 0.00 O ATOM 656 CB ARG A 415 3.844 -28.413 7.728 1.00 0.00 C ATOM 657 CG ARG A 415 5.103 -27.560 7.873 1.00 0.00 C ATOM 658 CD ARG A 415 4.865 -26.262 8.642 1.00 0.00 C ATOM 659 NE ARG A 415 6.042 -25.404 8.499 1.00 0.00 N ATOM 660 CZ ARG A 415 6.162 -24.168 8.996 1.00 0.00 C ATOM 661 NH1 ARG A 415 5.135 -23.556 9.599 1.00 0.00 N ATOM 662 NH2 ARG A 415 7.328 -23.524 8.877 1.00 0.00 N ATOM 0 H ARG A 415 4.775 -30.264 9.425 1.00 0.00 H new ATOM 0 HA ARG A 415 2.806 -28.058 9.575 1.00 0.00 H new ATOM 0 HB2 ARG A 415 4.078 -29.277 7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 415 3.089 -27.833 7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 415 5.871 -28.141 8.383 1.00 0.00 H new ATOM 0 HG3 ARG A 415 5.489 -27.322 6.882 1.00 0.00 H new ATOM 0 HD2 ARG A 415 3.980 -25.754 8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 415 4.680 -26.476 9.695 1.00 0.00 H new ATOM 0 HE ARG A 415 6.835 -25.779 7.978 1.00 0.00 H new ATOM 0 HH11 ARG A 415 4.238 -24.033 9.687 1.00 0.00 H new ATOM 0 HH12 ARG A 415 5.250 -22.613 9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 415 8.115 -23.976 8.411 1.00 0.00 H new ATOM 0 HH22 ARG A 415 7.430 -22.581 9.252 1.00 0.00 H new ATOM 676 N THR A 416 0.944 -29.708 9.226 1.00 0.00 N ATOM 677 CA THR A 416 -0.182 -30.597 8.983 1.00 0.00 C ATOM 678 C THR A 416 -0.646 -30.404 7.539 1.00 0.00 C ATOM 679 O THR A 416 -0.251 -29.437 6.883 1.00 0.00 O ATOM 680 CB THR A 416 -1.334 -30.258 9.941 1.00 0.00 C ATOM 681 OG1 THR A 416 -1.856 -28.983 9.615 1.00 0.00 O ATOM 682 CG2 THR A 416 -0.892 -30.281 11.408 1.00 0.00 C ATOM 0 H THR A 416 0.709 -28.888 9.785 1.00 0.00 H new ATOM 0 HA THR A 416 0.120 -31.631 9.149 1.00 0.00 H new ATOM 0 HB THR A 416 -2.103 -31.021 9.822 1.00 0.00 H new ATOM 0 HG1 THR A 416 -2.479 -28.696 10.315 1.00 0.00 H new ATOM 0 HG21 THR A 416 -1.740 -30.035 12.047 1.00 0.00 H new ATOM 0 HG22 THR A 416 -0.523 -31.275 11.661 1.00 0.00 H new ATOM 0 HG23 THR A 416 -0.099 -29.549 11.560 1.00 0.00 H new ATOM 690 N SER A 417 -1.512 -31.293 7.038 1.00 0.00 N ATOM 691 CA SER A 417 -2.033 -31.149 5.686 1.00 0.00 C ATOM 692 C SER A 417 -2.740 -29.791 5.535 1.00 0.00 C ATOM 693 O SER A 417 -2.760 -29.219 4.444 1.00 0.00 O ATOM 694 CB SER A 417 -2.910 -32.346 5.300 1.00 0.00 C ATOM 695 OG SER A 417 -4.266 -32.177 5.659 1.00 0.00 O ATOM 0 H SER A 417 -1.859 -32.107 7.545 1.00 0.00 H new ATOM 0 HA SER A 417 -1.206 -31.153 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 417 -2.842 -32.507 4.224 1.00 0.00 H new ATOM 0 HB3 SER A 417 -2.522 -33.244 5.781 1.00 0.00 H new ATOM 0 HG SER A 417 -4.777 -32.968 5.388 1.00 0.00 H new ATOM 701 N VAL A 418 -3.296 -29.272 6.641 1.00 0.00 N ATOM 702 CA VAL A 418 -3.946 -27.976 6.702 1.00 0.00 C ATOM 703 C VAL A 418 -2.874 -26.913 6.454 1.00 0.00 C ATOM 704 O VAL A 418 -3.039 -26.108 5.542 1.00 0.00 O ATOM 705 CB VAL A 418 -4.700 -27.803 8.034 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.248 -26.381 8.197 1.00 0.00 C ATOM 707 CG2 VAL A 418 -5.869 -28.795 8.109 1.00 0.00 C ATOM 0 H VAL A 418 -3.300 -29.764 7.535 1.00 0.00 H new ATOM 0 HA VAL A 418 -4.713 -27.876 5.934 1.00 0.00 H new ATOM 0 HB VAL A 418 -3.988 -27.994 8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -5.773 -26.300 9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.423 -25.669 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -5.938 -26.161 7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.396 -28.665 9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -6.555 -28.612 7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -5.487 -29.814 8.044 1.00 0.00 H new ATOM 717 N MET A 419 -1.772 -26.924 7.224 1.00 0.00 N ATOM 718 CA MET A 419 -0.691 -25.961 7.017 1.00 0.00 C ATOM 719 C MET A 419 -0.198 -25.988 5.564 1.00 0.00 C ATOM 720 O MET A 419 0.036 -24.931 4.981 1.00 0.00 O ATOM 721 CB MET A 419 0.494 -26.187 7.966 1.00 0.00 C ATOM 722 CG MET A 419 0.164 -26.211 9.460 1.00 0.00 C ATOM 723 SD MET A 419 -0.946 -24.943 10.117 1.00 0.00 S ATOM 724 CE MET A 419 -0.864 -25.443 11.855 1.00 0.00 C ATOM 0 H MET A 419 -1.613 -27.584 7.986 1.00 0.00 H new ATOM 0 HA MET A 419 -1.113 -24.981 7.240 1.00 0.00 H new ATOM 0 HB2 MET A 419 0.968 -27.133 7.704 1.00 0.00 H new ATOM 0 HB3 MET A 419 1.230 -25.402 7.790 1.00 0.00 H new ATOM 0 HG2 MET A 419 -0.272 -27.184 9.688 1.00 0.00 H new ATOM 0 HG3 MET A 419 1.104 -26.146 10.009 1.00 0.00 H new ATOM 0 HE1 MET A 419 -1.489 -24.781 12.454 1.00 0.00 H new ATOM 0 HE2 MET A 419 -1.220 -26.468 11.956 1.00 0.00 H new ATOM 0 HE3 MET A 419 0.167 -25.381 12.203 1.00 0.00 H new ATOM 734 N LEU A 420 -0.048 -27.182 4.971 1.00 0.00 N ATOM 735 CA LEU A 420 0.389 -27.321 3.583 1.00 0.00 C ATOM 736 C LEU A 420 -0.578 -26.577 2.658 1.00 0.00 C ATOM 737 O LEU A 420 -0.149 -25.777 1.827 1.00 0.00 O ATOM 738 CB LEU A 420 0.491 -28.798 3.163 1.00 0.00 C ATOM 739 CG LEU A 420 1.848 -29.446 3.473 1.00 0.00 C ATOM 740 CD1 LEU A 420 2.068 -29.715 4.961 1.00 0.00 C ATOM 741 CD2 LEU A 420 1.973 -30.777 2.735 1.00 0.00 C ATOM 0 H LEU A 420 -0.226 -28.070 5.440 1.00 0.00 H new ATOM 0 HA LEU A 420 1.384 -26.885 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.293 -29.363 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.300 -28.874 2.093 1.00 0.00 H new ATOM 0 HG LEU A 420 2.601 -28.730 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 420 3.046 -30.173 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 420 2.022 -28.775 5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.293 -30.389 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 420 2.939 -31.229 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 420 1.175 -31.447 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 420 1.895 -30.606 1.661 1.00 0.00 H new ATOM 753 N LYS A 421 -1.883 -26.837 2.810 1.00 0.00 N ATOM 754 CA LYS A 421 -2.910 -26.184 2.012 1.00 0.00 C ATOM 755 C LYS A 421 -2.855 -24.669 2.188 1.00 0.00 C ATOM 756 O LYS A 421 -2.895 -23.943 1.202 1.00 0.00 O ATOM 757 CB LYS A 421 -4.300 -26.724 2.369 1.00 0.00 C ATOM 758 CG LYS A 421 -4.512 -28.061 1.665 1.00 0.00 C ATOM 759 CD LYS A 421 -5.880 -28.684 1.956 1.00 0.00 C ATOM 760 CE LYS A 421 -6.001 -29.305 3.355 1.00 0.00 C ATOM 761 NZ LYS A 421 -5.102 -30.460 3.550 1.00 0.00 N ATOM 0 H LYS A 421 -2.248 -27.505 3.489 1.00 0.00 H new ATOM 0 HA LYS A 421 -2.717 -26.408 0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.389 -26.849 3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -5.069 -26.013 2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -4.406 -27.919 0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -3.730 -28.755 1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.648 -27.918 1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -6.083 -29.452 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -5.777 -28.546 4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -7.031 -29.621 3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -5.298 -30.901 4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -5.261 -31.155 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -4.113 -30.139 3.523 1.00 0.00 H new ATOM 775 N ASP A 422 -2.762 -24.186 3.428 1.00 0.00 N ATOM 776 CA ASP A 422 -2.696 -22.760 3.714 1.00 0.00 C ATOM 777 C ASP A 422 -1.512 -22.130 2.987 1.00 0.00 C ATOM 778 O ASP A 422 -1.685 -21.162 2.250 1.00 0.00 O ATOM 779 CB ASP A 422 -2.611 -22.532 5.226 1.00 0.00 C ATOM 780 CG ASP A 422 -3.858 -23.028 5.940 1.00 0.00 C ATOM 781 OD1 ASP A 422 -4.959 -22.719 5.434 1.00 0.00 O ATOM 782 OD2 ASP A 422 -3.704 -23.678 6.995 1.00 0.00 O ATOM 0 H ASP A 422 -2.731 -24.776 4.259 1.00 0.00 H new ATOM 0 HA ASP A 422 -3.604 -22.278 3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -1.736 -23.046 5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -2.475 -21.469 5.427 1.00 0.00 H new ATOM 787 N ARG A 423 -0.313 -22.691 3.188 1.00 0.00 N ATOM 788 CA ARG A 423 0.912 -22.219 2.563 1.00 0.00 C ATOM 789 C ARG A 423 0.739 -22.113 1.048 1.00 0.00 C ATOM 790 O ARG A 423 0.960 -21.045 0.477 1.00 0.00 O ATOM 791 CB ARG A 423 2.079 -23.155 2.928 1.00 0.00 C ATOM 792 CG ARG A 423 3.406 -22.800 2.231 1.00 0.00 C ATOM 793 CD ARG A 423 3.917 -21.425 2.665 1.00 0.00 C ATOM 794 NE ARG A 423 5.193 -21.069 2.025 1.00 0.00 N ATOM 795 CZ ARG A 423 5.761 -19.856 2.125 1.00 0.00 C ATOM 796 NH1 ARG A 423 5.203 -18.903 2.877 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.888 -19.591 1.461 1.00 0.00 N ATOM 0 H ARG A 423 -0.173 -23.496 3.799 1.00 0.00 H new ATOM 0 HA ARG A 423 1.141 -21.221 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 423 2.229 -23.129 4.007 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.806 -24.178 2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 423 4.154 -23.558 2.464 1.00 0.00 H new ATOM 0 HG3 ARG A 423 3.265 -22.812 1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 423 3.169 -20.670 2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 423 4.042 -21.413 3.748 1.00 0.00 H new ATOM 0 HE ARG A 423 5.672 -21.782 1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 423 4.337 -19.093 3.382 1.00 0.00 H new ATOM 0 HH12 ARG A 423 5.643 -17.985 2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 423 7.317 -20.309 0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 423 7.320 -18.670 1.536 1.00 0.00 H new ATOM 811 N TRP A 424 0.355 -23.218 0.400 1.00 0.00 N ATOM 812 CA TRP A 424 0.190 -23.259 -1.041 1.00 0.00 C ATOM 813 C TRP A 424 -0.874 -22.284 -1.549 1.00 0.00 C ATOM 814 O TRP A 424 -0.629 -21.585 -2.526 1.00 0.00 O ATOM 815 CB TRP A 424 -0.098 -24.687 -1.490 1.00 0.00 C ATOM 816 CG TRP A 424 -0.104 -24.890 -2.973 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.165 -25.323 -3.687 1.00 0.00 C ATOM 818 CD2 TRP A 424 0.972 -24.686 -3.941 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.828 -25.418 -5.017 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.476 -25.031 -5.234 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.315 -24.248 -3.872 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.260 -24.950 -6.393 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.108 -24.163 -5.032 1.00 0.00 C ATOM 824 CH2 TRP A 424 2.587 -24.511 -6.289 1.00 0.00 C ATOM 0 H TRP A 424 0.152 -24.102 0.866 1.00 0.00 H new ATOM 0 HA TRP A 424 1.128 -22.929 -1.487 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.648 -25.349 -1.050 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.067 -24.990 -1.092 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.135 -25.560 -3.275 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -1.463 -25.735 -5.750 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.738 -23.975 -2.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 0.847 -25.222 -7.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.131 -23.826 -4.954 1.00 0.00 H new ATOM 0 HH2 TRP A 424 3.206 -24.441 -7.171 1.00 0.00 H new ATOM 835 N ARG A 425 -2.046 -22.227 -0.903 1.00 0.00 N ATOM 836 CA ARG A 425 -3.124 -21.327 -1.297 1.00 0.00 C ATOM 837 C ARG A 425 -2.637 -19.879 -1.241 1.00 0.00 C ATOM 838 O ARG A 425 -2.797 -19.139 -2.212 1.00 0.00 O ATOM 839 CB ARG A 425 -4.367 -21.537 -0.421 1.00 0.00 C ATOM 840 CG ARG A 425 -5.096 -22.837 -0.797 1.00 0.00 C ATOM 841 CD ARG A 425 -6.389 -23.028 0.004 1.00 0.00 C ATOM 842 NE ARG A 425 -6.162 -23.092 1.458 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.156 -23.226 2.354 1.00 0.00 C ATOM 844 NH1 ARG A 425 -8.420 -23.363 1.939 1.00 0.00 N ATOM 845 NH2 ARG A 425 -6.913 -23.231 3.669 1.00 0.00 N ATOM 0 H ARG A 425 -2.268 -22.806 -0.093 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.414 -21.553 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.075 -21.571 0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -5.044 -20.690 -0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.328 -22.826 -1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -4.434 -23.686 -0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.071 -22.206 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -6.880 -23.945 -0.322 1.00 0.00 H new ATOM 0 HE ARG A 425 -5.204 -23.032 1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -8.632 -23.366 0.941 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.172 -23.465 2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -5.957 -23.132 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -7.683 -23.334 4.330 1.00 0.00 H new ATOM 859 N THR A 426 -2.024 -19.481 -0.118 1.00 0.00 N ATOM 860 CA THR A 426 -1.481 -18.140 0.046 1.00 0.00 C ATOM 861 C THR A 426 -0.488 -17.866 -1.085 1.00 0.00 C ATOM 862 O THR A 426 -0.556 -16.818 -1.720 1.00 0.00 O ATOM 863 CB THR A 426 -0.835 -17.996 1.431 1.00 0.00 C ATOM 864 OG1 THR A 426 -1.813 -18.248 2.419 1.00 0.00 O ATOM 865 CG2 THR A 426 -0.275 -16.586 1.649 1.00 0.00 C ATOM 0 H THR A 426 -1.895 -20.083 0.695 1.00 0.00 H new ATOM 0 HA THR A 426 -2.278 -17.399 -0.012 1.00 0.00 H new ATOM 0 HB THR A 426 -0.013 -18.708 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 426 -1.943 -19.215 2.512 1.00 0.00 H new ATOM 0 HG21 THR A 426 0.174 -16.522 2.640 1.00 0.00 H new ATOM 0 HG22 THR A 426 0.481 -16.374 0.893 1.00 0.00 H new ATOM 0 HG23 THR A 426 -1.082 -15.858 1.569 1.00 0.00 H new ATOM 873 N MET A 427 0.420 -18.810 -1.353 1.00 0.00 N ATOM 874 CA MET A 427 1.399 -18.672 -2.420 1.00 0.00 C ATOM 875 C MET A 427 0.731 -18.489 -3.786 1.00 0.00 C ATOM 876 O MET A 427 1.163 -17.655 -4.575 1.00 0.00 O ATOM 877 CB MET A 427 2.338 -19.889 -2.438 1.00 0.00 C ATOM 878 CG MET A 427 3.731 -19.547 -1.906 1.00 0.00 C ATOM 879 SD MET A 427 4.605 -18.283 -2.874 1.00 0.00 S ATOM 880 CE MET A 427 6.262 -18.500 -2.205 1.00 0.00 C ATOM 0 H MET A 427 0.492 -19.686 -0.835 1.00 0.00 H new ATOM 0 HA MET A 427 1.983 -17.773 -2.221 1.00 0.00 H new ATOM 0 HB2 MET A 427 1.906 -20.689 -1.836 1.00 0.00 H new ATOM 0 HB3 MET A 427 2.422 -20.267 -3.457 1.00 0.00 H new ATOM 0 HG2 MET A 427 3.640 -19.202 -0.876 1.00 0.00 H new ATOM 0 HG3 MET A 427 4.334 -20.455 -1.886 1.00 0.00 H new ATOM 0 HE1 MET A 427 6.960 -17.863 -2.748 1.00 0.00 H new ATOM 0 HE2 MET A 427 6.267 -18.227 -1.150 1.00 0.00 H new ATOM 0 HE3 MET A 427 6.564 -19.542 -2.312 1.00 0.00 H new ATOM 890 N LYS A 428 -0.315 -19.259 -4.091 1.00 0.00 N ATOM 891 CA LYS A 428 -1.004 -19.161 -5.368 1.00 0.00 C ATOM 892 C LYS A 428 -1.645 -17.789 -5.588 1.00 0.00 C ATOM 893 O LYS A 428 -1.733 -17.350 -6.735 1.00 0.00 O ATOM 894 CB LYS A 428 -2.054 -20.276 -5.499 1.00 0.00 C ATOM 895 CG LYS A 428 -1.390 -21.618 -5.822 1.00 0.00 C ATOM 896 CD LYS A 428 -2.367 -22.800 -5.864 1.00 0.00 C ATOM 897 CE LYS A 428 -3.639 -22.591 -6.691 1.00 0.00 C ATOM 898 NZ LYS A 428 -4.347 -23.872 -6.893 1.00 0.00 N ATOM 0 H LYS A 428 -0.702 -19.962 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 428 -0.251 -19.285 -6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -2.619 -20.360 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -2.766 -20.020 -6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -0.887 -21.541 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -0.621 -21.821 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -1.839 -23.668 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -2.658 -23.042 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -4.295 -21.883 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -3.383 -22.155 -7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -5.149 -23.727 -7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -3.693 -24.569 -7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -4.698 -24.223 -5.979 1.00 0.00 H new ATOM 912 N LYS A 429 -2.102 -17.118 -4.520 1.00 0.00 N ATOM 913 CA LYS A 429 -2.770 -15.825 -4.631 1.00 0.00 C ATOM 914 C LYS A 429 -2.005 -14.802 -5.477 1.00 0.00 C ATOM 915 O LYS A 429 -2.626 -14.130 -6.298 1.00 0.00 O ATOM 916 CB LYS A 429 -3.212 -15.281 -3.259 1.00 0.00 C ATOM 917 CG LYS A 429 -2.257 -14.270 -2.602 1.00 0.00 C ATOM 918 CD LYS A 429 -2.779 -13.911 -1.206 1.00 0.00 C ATOM 919 CE LYS A 429 -1.751 -13.087 -0.422 1.00 0.00 C ATOM 920 NZ LYS A 429 -2.292 -12.640 0.876 1.00 0.00 N ATOM 0 H LYS A 429 -2.017 -17.459 -3.563 1.00 0.00 H new ATOM 0 HA LYS A 429 -3.684 -16.009 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -4.188 -14.809 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -3.343 -16.123 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.255 -14.693 -2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.181 -13.373 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.707 -13.347 -1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -3.012 -14.823 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -0.854 -13.684 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -1.453 -12.220 -1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -1.571 -12.086 1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -3.134 -12.050 0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -2.553 -13.469 1.447 1.00 0.00 H new