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 411 LYS NZ :NH3+ -153:sc= 1.41 (180deg=1.09) USER MOD Set 1.2: A 414 ASN : amide:sc= 0.135 K(o=1.5,f=-3.8) USER MOD Set 2.1: A 402 ASN : amide:sc= 1.55 K(o=2.8,f=-8.1!) USER MOD Set 2.2: A 405 LYS NZ :NH3+ -144:sc= 1.29 (180deg=0) USER MOD Set 3.1: A 381 GLN : amide:sc= 0.331 K(o=0.53,f=-7!) USER MOD Set 3.2: A 413 ASN : amide:sc= 0.197 K(o=0.53,f=-1) USER MOD Single : A 389 LYS NZ :NH3+ -151:sc= 1.2 (180deg=1.1) USER MOD Single : A 390 ASN : amide:sc= -0.572 K(o=-0.57,f=-2.8!) USER MOD Single : A 393 SER OG : rot 180:sc= 0 USER MOD Single : A 397 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.021) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot 180:sc= -0.0224 USER MOD Single : A 409 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.29) USER MOD Single : A 410 TYR OH : rot 30:sc= 0 USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.586 USER MOD Single : A 417 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 419 MET CE :methyl -101:sc= -0.0753 (180deg=-0.846) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 THR OG1 : rot 77:sc= 0.51 USER MOD Single : A 427 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 428 LYS NZ :NH3+ -154:sc= 1.25 (180deg=0.962) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 6.506 -20.334 13.391 1.00 0.00 N ATOM 72 CA GLN A 381 7.494 -20.879 12.479 1.00 0.00 C ATOM 73 C GLN A 381 7.148 -20.508 11.039 1.00 0.00 C ATOM 74 O GLN A 381 6.592 -21.317 10.296 1.00 0.00 O ATOM 75 CB GLN A 381 7.707 -22.386 12.681 1.00 0.00 C ATOM 76 CG GLN A 381 6.438 -23.253 12.689 1.00 0.00 C ATOM 77 CD GLN A 381 6.762 -24.721 12.424 1.00 0.00 C ATOM 78 OE1 GLN A 381 7.929 -25.104 12.376 1.00 0.00 O ATOM 79 NE2 GLN A 381 5.736 -25.549 12.220 1.00 0.00 N ATOM 0 HA GLN A 381 8.458 -20.424 12.708 1.00 0.00 H new ATOM 0 HB2 GLN A 381 8.365 -22.748 11.891 1.00 0.00 H new ATOM 0 HB3 GLN A 381 8.230 -22.535 13.625 1.00 0.00 H new ATOM 0 HG2 GLN A 381 5.937 -23.158 13.652 1.00 0.00 H new ATOM 0 HG3 GLN A 381 5.743 -22.890 11.932 1.00 0.00 H new ATOM 0 HE21 GLN A 381 4.780 -25.197 12.267 1.00 0.00 H new ATOM 0 HE22 GLN A 381 5.908 -26.534 12.017 1.00 0.00 H new ATOM 88 N ALA A 382 7.507 -19.281 10.640 1.00 0.00 N ATOM 89 CA ALA A 382 7.292 -18.814 9.277 1.00 0.00 C ATOM 90 C ALA A 382 7.982 -19.801 8.338 1.00 0.00 C ATOM 91 O ALA A 382 9.092 -20.247 8.632 1.00 0.00 O ATOM 92 CB ALA A 382 7.836 -17.394 9.108 1.00 0.00 C ATOM 0 H ALA A 382 7.950 -18.595 11.251 1.00 0.00 H new ATOM 0 HA ALA A 382 6.228 -18.771 9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 382 7.668 -17.059 8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 382 7.323 -16.724 9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 382 8.905 -17.386 9.321 1.00 0.00 H new ATOM 98 N TRP A 383 7.324 -20.177 7.239 1.00 0.00 N ATOM 99 CA TRP A 383 7.903 -21.163 6.341 1.00 0.00 C ATOM 100 C TRP A 383 9.221 -20.673 5.746 1.00 0.00 C ATOM 101 O TRP A 383 9.356 -19.516 5.349 1.00 0.00 O ATOM 102 CB TRP A 383 6.926 -21.572 5.245 1.00 0.00 C ATOM 103 CG TRP A 383 5.741 -22.392 5.666 1.00 0.00 C ATOM 104 CD1 TRP A 383 4.843 -22.078 6.628 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.306 -23.677 5.132 1.00 0.00 C ATOM 106 NE1 TRP A 383 3.884 -23.062 6.722 1.00 0.00 N ATOM 107 CE2 TRP A 383 4.121 -24.073 5.817 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.784 -24.547 4.127 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.450 -25.264 5.519 1.00 0.00 C ATOM 110 CZ3 TRP A 383 5.119 -25.750 3.826 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.951 -26.104 4.523 1.00 0.00 C ATOM 0 H TRP A 383 6.411 -19.820 6.958 1.00 0.00 H new ATOM 0 HA TRP A 383 8.117 -22.050 6.937 1.00 0.00 H new ATOM 0 HB2 TRP A 383 6.558 -20.666 4.762 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.477 -22.134 4.491 1.00 0.00 H new ATOM 0 HD1 TRP A 383 4.874 -21.185 7.234 1.00 0.00 H new ATOM 0 HE1 TRP A 383 3.101 -23.044 7.376 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.677 -24.284 3.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.552 -25.531 6.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.507 -26.403 3.058 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.441 -27.026 4.288 1.00 0.00 H new ATOM 122 N LEU A 384 10.185 -21.590 5.704 1.00 0.00 N ATOM 123 CA LEU A 384 11.527 -21.384 5.188 1.00 0.00 C ATOM 124 C LEU A 384 11.534 -21.789 3.713 1.00 0.00 C ATOM 125 O LEU A 384 10.676 -22.573 3.296 1.00 0.00 O ATOM 126 CB LEU A 384 12.482 -22.247 6.031 1.00 0.00 C ATOM 127 CG LEU A 384 13.972 -22.146 5.668 1.00 0.00 C ATOM 128 CD1 LEU A 384 14.522 -20.728 5.864 1.00 0.00 C ATOM 129 CD2 LEU A 384 14.768 -23.121 6.542 1.00 0.00 C ATOM 0 H LEU A 384 10.040 -22.540 6.046 1.00 0.00 H new ATOM 0 HA LEU A 384 11.848 -20.344 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.363 -21.970 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 384 12.175 -23.289 5.940 1.00 0.00 H new ATOM 0 HG LEU A 384 14.075 -22.398 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 384 15.578 -20.707 5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 384 13.972 -20.033 5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 384 14.408 -20.434 6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 384 15.826 -23.055 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 384 14.628 -22.865 7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 384 14.416 -24.138 6.366 1.00 0.00 H new ATOM 141 N TRP A 385 12.498 -21.276 2.926 1.00 0.00 N ATOM 142 CA TRP A 385 12.577 -21.634 1.514 1.00 0.00 C ATOM 143 C TRP A 385 12.541 -23.140 1.380 1.00 0.00 C ATOM 144 O TRP A 385 11.803 -23.596 0.541 1.00 0.00 O ATOM 145 CB TRP A 385 13.840 -21.169 0.758 1.00 0.00 C ATOM 146 CG TRP A 385 15.064 -21.962 1.108 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.662 -21.812 2.284 1.00 0.00 C ATOM 148 CD2 TRP A 385 15.822 -23.014 0.434 1.00 0.00 C ATOM 149 NE1 TRP A 385 16.747 -22.639 2.427 1.00 0.00 N ATOM 150 CE2 TRP A 385 16.889 -23.418 1.301 1.00 0.00 C ATOM 151 CE3 TRP A 385 15.720 -23.685 -0.799 1.00 0.00 C ATOM 152 CZ2 TRP A 385 17.805 -24.421 0.958 1.00 0.00 C ATOM 153 CZ3 TRP A 385 16.630 -24.702 -1.141 1.00 0.00 C ATOM 154 CH2 TRP A 385 17.670 -25.071 -0.273 1.00 0.00 C ATOM 0 H TRP A 385 13.216 -20.625 3.244 1.00 0.00 H new ATOM 0 HA TRP A 385 11.727 -21.118 1.067 1.00 0.00 H new ATOM 0 HB2 TRP A 385 13.661 -21.243 -0.315 1.00 0.00 H new ATOM 0 HB3 TRP A 385 14.021 -20.117 0.979 1.00 0.00 H new ATOM 0 HD1 TRP A 385 15.332 -21.117 3.042 1.00 0.00 H new ATOM 0 HE1 TRP A 385 17.356 -22.672 3.244 1.00 0.00 H new ATOM 0 HE3 TRP A 385 14.935 -23.416 -1.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 18.604 -24.688 1.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 16.527 -25.208 -2.089 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.361 -25.852 -0.554 1.00 0.00 H new ATOM 165 N GLU A 386 13.326 -23.905 2.156 1.00 0.00 N ATOM 166 CA GLU A 386 13.380 -25.343 1.987 1.00 0.00 C ATOM 167 C GLU A 386 12.012 -26.006 2.145 1.00 0.00 C ATOM 168 O GLU A 386 11.727 -26.959 1.423 1.00 0.00 O ATOM 169 CB GLU A 386 14.573 -25.985 2.696 1.00 0.00 C ATOM 170 CG GLU A 386 14.812 -27.418 2.187 1.00 0.00 C ATOM 171 CD GLU A 386 16.292 -27.715 1.976 1.00 0.00 C ATOM 172 OE1 GLU A 386 17.047 -27.606 2.966 1.00 0.00 O ATOM 173 OE2 GLU A 386 16.641 -28.036 0.816 1.00 0.00 O ATOM 0 H GLU A 386 13.924 -23.543 2.899 1.00 0.00 H new ATOM 0 HA GLU A 386 13.612 -25.555 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 386 15.466 -25.383 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 386 14.395 -26.002 3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 386 14.399 -28.129 2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 386 14.277 -27.562 1.248 1.00 0.00 H new ATOM 180 N GLU A 387 11.142 -25.499 3.029 1.00 0.00 N ATOM 181 CA GLU A 387 9.802 -26.053 3.159 1.00 0.00 C ATOM 182 C GLU A 387 8.994 -25.718 1.899 1.00 0.00 C ATOM 183 O GLU A 387 8.384 -26.606 1.315 1.00 0.00 O ATOM 184 CB GLU A 387 9.086 -25.550 4.417 1.00 0.00 C ATOM 185 CG GLU A 387 9.708 -26.047 5.726 1.00 0.00 C ATOM 186 CD GLU A 387 8.748 -25.800 6.886 1.00 0.00 C ATOM 187 OE1 GLU A 387 8.740 -24.657 7.392 1.00 0.00 O ATOM 188 OE2 GLU A 387 7.999 -26.742 7.232 1.00 0.00 O ATOM 0 H GLU A 387 11.344 -24.718 3.653 1.00 0.00 H new ATOM 0 HA GLU A 387 9.888 -27.135 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 387 9.091 -24.460 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 387 8.043 -25.864 4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.934 -27.111 5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.652 -25.533 5.908 1.00 0.00 H new ATOM 195 N ASP A 388 8.988 -24.452 1.465 1.00 0.00 N ATOM 196 CA ASP A 388 8.251 -24.017 0.271 1.00 0.00 C ATOM 197 C ASP A 388 8.767 -24.675 -1.017 1.00 0.00 C ATOM 198 O ASP A 388 8.004 -25.012 -1.918 1.00 0.00 O ATOM 199 CB ASP A 388 8.363 -22.492 0.134 1.00 0.00 C ATOM 200 CG ASP A 388 7.704 -21.736 1.278 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.721 -22.264 1.838 1.00 0.00 O ATOM 202 OD2 ASP A 388 8.162 -20.608 1.557 1.00 0.00 O ATOM 0 H ASP A 388 9.494 -23.699 1.932 1.00 0.00 H new ATOM 0 HA ASP A 388 7.213 -24.323 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.416 -22.215 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 388 7.907 -22.184 -0.807 1.00 0.00 H new ATOM 207 N LYS A 389 10.085 -24.838 -1.081 1.00 0.00 N ATOM 208 CA LYS A 389 10.914 -25.408 -2.127 1.00 0.00 C ATOM 209 C LYS A 389 10.511 -26.883 -2.249 1.00 0.00 C ATOM 210 O LYS A 389 10.128 -27.354 -3.322 1.00 0.00 O ATOM 211 CB LYS A 389 12.398 -25.177 -1.724 1.00 0.00 C ATOM 212 CG LYS A 389 13.401 -25.972 -2.577 1.00 0.00 C ATOM 213 CD LYS A 389 14.056 -27.061 -1.711 1.00 0.00 C ATOM 214 CE LYS A 389 15.059 -27.922 -2.482 1.00 0.00 C ATOM 215 NZ LYS A 389 15.737 -28.874 -1.581 1.00 0.00 N ATOM 0 H LYS A 389 10.665 -24.533 -0.299 1.00 0.00 H new ATOM 0 HA LYS A 389 10.783 -24.950 -3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.626 -24.114 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.528 -25.451 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 389 12.893 -26.425 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 389 14.163 -25.304 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 389 14.563 -26.590 -0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 389 13.279 -27.703 -1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 389 14.544 -28.467 -3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 389 15.798 -27.283 -2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 16.688 -29.082 -1.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 15.815 -28.457 -0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 15.186 -29.755 -1.528 1.00 0.00 H new ATOM 229 N ASN A 390 10.577 -27.599 -1.122 1.00 0.00 N ATOM 230 CA ASN A 390 10.201 -28.999 -1.002 1.00 0.00 C ATOM 231 C ASN A 390 8.731 -29.163 -1.395 1.00 0.00 C ATOM 232 O ASN A 390 8.385 -30.072 -2.147 1.00 0.00 O ATOM 233 CB ASN A 390 10.465 -29.441 0.444 1.00 0.00 C ATOM 234 CG ASN A 390 10.076 -30.882 0.746 1.00 0.00 C ATOM 235 OD1 ASN A 390 9.972 -31.710 -0.154 1.00 0.00 O ATOM 236 ND2 ASN A 390 9.883 -31.179 2.032 1.00 0.00 N ATOM 0 H ASN A 390 10.906 -27.200 -0.242 1.00 0.00 H new ATOM 0 HA ASN A 390 10.789 -29.628 -1.670 1.00 0.00 H new ATOM 0 HB2 ASN A 390 11.525 -29.311 0.662 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.918 -28.782 1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 390 9.637 -32.131 2.304 1.00 0.00 H new ATOM 0 HD22 ASN A 390 9.981 -30.454 2.743 1.00 0.00 H new ATOM 243 N LEU A 391 7.866 -28.270 -0.901 1.00 0.00 N ATOM 244 CA LEU A 391 6.442 -28.284 -1.192 1.00 0.00 C ATOM 245 C LEU A 391 6.207 -28.135 -2.690 1.00 0.00 C ATOM 246 O LEU A 391 5.421 -28.886 -3.256 1.00 0.00 O ATOM 247 CB LEU A 391 5.713 -27.193 -0.394 1.00 0.00 C ATOM 248 CG LEU A 391 4.184 -27.281 -0.522 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.664 -28.624 -0.001 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.542 -26.137 0.271 1.00 0.00 C ATOM 0 H LEU A 391 8.147 -27.511 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 391 6.030 -29.245 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.990 -27.272 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.046 -26.214 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 391 3.919 -27.199 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.579 -28.659 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 391 4.109 -29.435 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.933 -28.735 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.457 -26.197 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.825 -26.218 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 391 3.886 -25.182 -0.125 1.00 0.00 H new ATOM 262 N ARG A 392 6.888 -27.185 -3.342 1.00 0.00 N ATOM 263 CA ARG A 392 6.755 -26.968 -4.774 1.00 0.00 C ATOM 264 C ARG A 392 7.134 -28.243 -5.528 1.00 0.00 C ATOM 265 O ARG A 392 6.433 -28.632 -6.462 1.00 0.00 O ATOM 266 CB ARG A 392 7.559 -25.730 -5.202 1.00 0.00 C ATOM 267 CG ARG A 392 7.186 -25.278 -6.622 1.00 0.00 C ATOM 268 CD ARG A 392 7.655 -23.841 -6.893 1.00 0.00 C ATOM 269 NE ARG A 392 7.114 -23.348 -8.173 1.00 0.00 N ATOM 270 CZ ARG A 392 6.626 -22.116 -8.409 1.00 0.00 C ATOM 271 NH1 ARG A 392 6.743 -21.129 -7.511 1.00 0.00 N ATOM 272 NH2 ARG A 392 5.986 -21.859 -9.556 1.00 0.00 N ATOM 0 H ARG A 392 7.544 -26.550 -2.886 1.00 0.00 H new ATOM 0 HA ARG A 392 5.717 -26.754 -5.030 1.00 0.00 H new ATOM 0 HB2 ARG A 392 7.376 -24.916 -4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.625 -25.955 -5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 392 7.636 -25.953 -7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 392 6.106 -25.341 -6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 392 7.333 -23.189 -6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 392 8.744 -23.807 -6.916 1.00 0.00 H new ATOM 0 HE ARG A 392 7.109 -24.003 -8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 392 7.212 -21.302 -6.622 1.00 0.00 H new ATOM 0 HH12 ARG A 392 6.364 -20.205 -7.717 1.00 0.00 H new ATOM 0 HH21 ARG A 392 5.868 -22.597 -10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 392 5.616 -20.926 -9.735 1.00 0.00 H new ATOM 286 N SER A 393 8.217 -28.911 -5.107 1.00 0.00 N ATOM 287 CA SER A 393 8.643 -30.169 -5.710 1.00 0.00 C ATOM 288 C SER A 393 7.530 -31.218 -5.551 1.00 0.00 C ATOM 289 O SER A 393 7.137 -31.881 -6.512 1.00 0.00 O ATOM 290 CB SER A 393 9.960 -30.639 -5.080 1.00 0.00 C ATOM 291 OG SER A 393 10.484 -31.731 -5.809 1.00 0.00 O ATOM 0 H SER A 393 8.815 -28.593 -4.344 1.00 0.00 H new ATOM 0 HA SER A 393 8.823 -30.024 -6.775 1.00 0.00 H new ATOM 0 HB2 SER A 393 10.679 -29.820 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.793 -30.931 -4.043 1.00 0.00 H new ATOM 0 HG SER A 393 11.326 -32.023 -5.401 1.00 0.00 H new ATOM 297 N GLY A 394 7.012 -31.358 -4.327 1.00 0.00 N ATOM 298 CA GLY A 394 5.952 -32.295 -4.005 1.00 0.00 C ATOM 299 C GLY A 394 4.709 -32.066 -4.862 1.00 0.00 C ATOM 300 O GLY A 394 4.202 -33.003 -5.470 1.00 0.00 O ATOM 0 H GLY A 394 7.328 -30.811 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 394 6.311 -33.314 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.689 -32.198 -2.952 1.00 0.00 H new ATOM 304 N VAL A 395 4.211 -30.828 -4.917 1.00 0.00 N ATOM 305 CA VAL A 395 3.023 -30.500 -5.686 1.00 0.00 C ATOM 306 C VAL A 395 3.256 -30.672 -7.186 1.00 0.00 C ATOM 307 O VAL A 395 2.367 -31.172 -7.862 1.00 0.00 O ATOM 308 CB VAL A 395 2.461 -29.119 -5.322 1.00 0.00 C ATOM 309 CG1 VAL A 395 1.200 -28.859 -6.158 1.00 0.00 C ATOM 310 CG2 VAL A 395 2.061 -29.073 -3.843 1.00 0.00 C ATOM 0 H VAL A 395 4.623 -30.033 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 395 2.250 -31.218 -5.411 1.00 0.00 H new ATOM 0 HB VAL A 395 3.228 -28.369 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.792 -27.880 -5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.454 -28.885 -7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.457 -29.627 -5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.665 -28.086 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 395 1.298 -29.827 -3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.935 -29.273 -3.223 1.00 0.00 H new ATOM 320 N ARG A 396 4.410 -30.300 -7.752 1.00 0.00 N ATOM 321 CA ARG A 396 4.575 -30.532 -9.186 1.00 0.00 C ATOM 322 C ARG A 396 4.559 -32.038 -9.485 1.00 0.00 C ATOM 323 O ARG A 396 4.075 -32.454 -10.536 1.00 0.00 O ATOM 324 CB ARG A 396 5.785 -29.800 -9.777 1.00 0.00 C ATOM 325 CG ARG A 396 7.150 -30.365 -9.379 1.00 0.00 C ATOM 326 CD ARG A 396 8.296 -29.577 -10.020 1.00 0.00 C ATOM 327 NE ARG A 396 8.294 -29.716 -11.485 1.00 0.00 N ATOM 328 CZ ARG A 396 9.174 -29.132 -12.314 1.00 0.00 C ATOM 329 NH1 ARG A 396 10.156 -28.361 -11.827 1.00 0.00 N ATOM 330 NH2 ARG A 396 9.071 -29.326 -13.635 1.00 0.00 N ATOM 0 H ARG A 396 5.198 -29.864 -7.273 1.00 0.00 H new ATOM 0 HA ARG A 396 3.721 -30.090 -9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 396 5.705 -29.819 -10.864 1.00 0.00 H new ATOM 0 HB3 ARG A 396 5.740 -28.754 -9.473 1.00 0.00 H new ATOM 0 HG2 ARG A 396 7.253 -30.339 -8.294 1.00 0.00 H new ATOM 0 HG3 ARG A 396 7.213 -31.411 -9.681 1.00 0.00 H new ATOM 0 HD2 ARG A 396 8.208 -28.524 -9.753 1.00 0.00 H new ATOM 0 HD3 ARG A 396 9.248 -29.928 -9.622 1.00 0.00 H new ATOM 0 HE ARG A 396 7.569 -30.300 -11.902 1.00 0.00 H new ATOM 0 HH11 ARG A 396 10.238 -28.215 -10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 396 10.821 -27.920 -12.462 1.00 0.00 H new ATOM 0 HH21 ARG A 396 8.326 -29.915 -14.007 1.00 0.00 H new ATOM 0 HH22 ARG A 396 9.737 -28.884 -14.269 1.00 0.00 H new ATOM 344 N LYS A 397 5.076 -32.848 -8.554 1.00 0.00 N ATOM 345 CA LYS A 397 5.124 -34.302 -8.677 1.00 0.00 C ATOM 346 C LYS A 397 3.798 -35.027 -8.386 1.00 0.00 C ATOM 347 O LYS A 397 3.552 -36.061 -9.005 1.00 0.00 O ATOM 348 CB LYS A 397 6.274 -34.865 -7.830 1.00 0.00 C ATOM 349 CG LYS A 397 7.632 -34.489 -8.440 1.00 0.00 C ATOM 350 CD LYS A 397 8.823 -34.962 -7.591 1.00 0.00 C ATOM 351 CE LYS A 397 8.907 -36.485 -7.413 1.00 0.00 C ATOM 352 NZ LYS A 397 8.992 -37.202 -8.699 1.00 0.00 N ATOM 0 H LYS A 397 5.478 -32.503 -7.682 1.00 0.00 H new ATOM 0 HA LYS A 397 5.310 -34.504 -9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 397 6.207 -34.478 -6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 397 6.187 -35.950 -7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 397 7.709 -34.922 -9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 397 7.684 -33.407 -8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 397 9.746 -34.611 -8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 397 8.761 -34.496 -6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 397 9.780 -36.729 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 397 8.031 -36.832 -6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 9.098 -38.221 -8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 8.125 -37.034 -9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 9.814 -36.857 -9.235 1.00 0.00 H new ATOM 366 N TYR A 398 2.965 -34.541 -7.453 1.00 0.00 N ATOM 367 CA TYR A 398 1.710 -35.195 -7.055 1.00 0.00 C ATOM 368 C TYR A 398 0.443 -34.373 -7.317 1.00 0.00 C ATOM 369 O TYR A 398 -0.628 -34.950 -7.495 1.00 0.00 O ATOM 370 CB TYR A 398 1.794 -35.575 -5.569 1.00 0.00 C ATOM 371 CG TYR A 398 2.749 -36.720 -5.283 1.00 0.00 C ATOM 372 CD1 TYR A 398 4.139 -36.508 -5.316 1.00 0.00 C ATOM 373 CD2 TYR A 398 2.249 -38.003 -4.991 1.00 0.00 C ATOM 374 CE1 TYR A 398 5.025 -37.567 -5.065 1.00 0.00 C ATOM 375 CE2 TYR A 398 3.136 -39.063 -4.735 1.00 0.00 C ATOM 376 CZ TYR A 398 4.523 -38.846 -4.771 1.00 0.00 C ATOM 377 OH TYR A 398 5.379 -39.879 -4.522 1.00 0.00 O ATOM 0 H TYR A 398 3.146 -33.673 -6.948 1.00 0.00 H new ATOM 0 HA TYR A 398 1.612 -36.077 -7.687 1.00 0.00 H new ATOM 0 HB2 TYR A 398 2.107 -34.701 -4.997 1.00 0.00 H new ATOM 0 HB3 TYR A 398 0.799 -35.847 -5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 398 4.527 -35.524 -5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 398 1.183 -38.173 -4.964 1.00 0.00 H new ATOM 0 HE1 TYR A 398 6.091 -37.399 -5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 398 2.750 -40.046 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 398 4.865 -40.692 -4.336 1.00 0.00 H new ATOM 387 N GLY A 399 0.549 -33.045 -7.330 1.00 0.00 N ATOM 388 CA GLY A 399 -0.561 -32.121 -7.541 1.00 0.00 C ATOM 389 C GLY A 399 -1.250 -31.789 -6.216 1.00 0.00 C ATOM 390 O GLY A 399 -1.131 -32.544 -5.251 1.00 0.00 O ATOM 0 H GLY A 399 1.440 -32.568 -7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.195 -31.205 -8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.281 -32.562 -8.230 1.00 0.00 H new ATOM 394 N GLU A 400 -1.979 -30.666 -6.154 1.00 0.00 N ATOM 395 CA GLU A 400 -2.702 -30.276 -4.948 1.00 0.00 C ATOM 396 C GLU A 400 -3.786 -31.316 -4.625 1.00 0.00 C ATOM 397 O GLU A 400 -4.200 -32.083 -5.492 1.00 0.00 O ATOM 398 CB GLU A 400 -3.247 -28.834 -5.030 1.00 0.00 C ATOM 399 CG GLU A 400 -3.658 -28.327 -6.422 1.00 0.00 C ATOM 400 CD GLU A 400 -2.491 -27.670 -7.152 1.00 0.00 C ATOM 401 OE1 GLU A 400 -1.742 -28.422 -7.809 1.00 0.00 O ATOM 402 OE2 GLU A 400 -2.358 -26.428 -7.026 1.00 0.00 O ATOM 0 H GLU A 400 -2.080 -30.013 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.000 -30.264 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -4.113 -28.760 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -2.487 -28.160 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.036 -29.160 -7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -4.474 -27.611 -6.322 1.00 0.00 H new ATOM 409 N GLY A 401 -4.227 -31.355 -3.363 1.00 0.00 N ATOM 410 CA GLY A 401 -5.219 -32.314 -2.891 1.00 0.00 C ATOM 411 C GLY A 401 -4.567 -33.685 -2.704 1.00 0.00 C ATOM 412 O GLY A 401 -5.132 -34.712 -3.077 1.00 0.00 O ATOM 0 H GLY A 401 -3.900 -30.715 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.648 -31.973 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -6.038 -32.385 -3.606 1.00 0.00 H new ATOM 416 N ASN A 402 -3.362 -33.675 -2.124 1.00 0.00 N ATOM 417 CA ASN A 402 -2.517 -34.825 -1.834 1.00 0.00 C ATOM 418 C ASN A 402 -1.584 -34.378 -0.708 1.00 0.00 C ATOM 419 O ASN A 402 -0.391 -34.653 -0.749 1.00 0.00 O ATOM 420 CB ASN A 402 -1.702 -35.206 -3.086 1.00 0.00 C ATOM 421 CG ASN A 402 -2.569 -35.709 -4.237 1.00 0.00 C ATOM 422 OD1 ASN A 402 -3.070 -36.831 -4.195 1.00 0.00 O ATOM 423 ND2 ASN A 402 -2.754 -34.894 -5.271 1.00 0.00 N ATOM 0 H ASN A 402 -2.927 -32.801 -1.827 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.102 -35.699 -1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -1.134 -34.338 -3.420 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -0.979 -35.977 -2.820 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -3.326 -35.194 -6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -2.324 -33.969 -5.275 1.00 0.00 H new ATOM 430 N TRP A 403 -2.110 -33.646 0.280 1.00 0.00 N ATOM 431 CA TRP A 403 -1.324 -33.067 1.360 1.00 0.00 C ATOM 432 C TRP A 403 -0.785 -34.091 2.344 1.00 0.00 C ATOM 433 O TRP A 403 0.424 -34.144 2.540 1.00 0.00 O ATOM 434 CB TRP A 403 -2.098 -31.928 2.018 1.00 0.00 C ATOM 435 CG TRP A 403 -2.677 -30.994 1.011 1.00 0.00 C ATOM 436 CD1 TRP A 403 -3.987 -30.788 0.764 1.00 0.00 C ATOM 437 CD2 TRP A 403 -1.950 -30.145 0.087 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.126 -29.867 -0.256 1.00 0.00 N ATOM 439 CE2 TRP A 403 -2.894 -29.437 -0.709 1.00 0.00 C ATOM 440 CE3 TRP A 403 -0.582 -29.909 -0.160 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -2.494 -28.534 -1.702 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.174 -29.004 -1.149 1.00 0.00 C ATOM 443 CH2 TRP A 403 -1.125 -28.323 -1.916 1.00 0.00 C ATOM 0 H TRP A 403 -3.107 -33.440 0.347 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.421 -32.642 0.920 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.898 -32.341 2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.435 -31.377 2.685 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.802 -31.269 1.284 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.021 -29.547 -0.626 1.00 0.00 H new ATOM 0 HE3 TRP A 403 0.162 -30.433 0.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -3.229 -28.008 -2.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.878 -28.832 -1.320 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -0.802 -27.630 -2.679 1.00 0.00 H new ATOM 454 N SER A 404 -1.645 -34.910 2.951 1.00 0.00 N ATOM 455 CA SER A 404 -1.178 -35.939 3.882 1.00 0.00 C ATOM 456 C SER A 404 -0.198 -36.877 3.168 1.00 0.00 C ATOM 457 O SER A 404 0.790 -37.328 3.748 1.00 0.00 O ATOM 458 CB SER A 404 -2.360 -36.706 4.483 1.00 0.00 C ATOM 459 OG SER A 404 -3.097 -35.838 5.314 1.00 0.00 O ATOM 0 H SER A 404 -2.656 -34.883 2.818 1.00 0.00 H new ATOM 0 HA SER A 404 -0.652 -35.461 4.709 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.997 -37.098 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 404 -2.001 -37.561 5.056 1.00 0.00 H new ATOM 0 HG SER A 404 -3.856 -36.322 5.701 1.00 0.00 H new ATOM 465 N LYS A 405 -0.465 -37.146 1.887 1.00 0.00 N ATOM 466 CA LYS A 405 0.370 -37.979 1.041 1.00 0.00 C ATOM 467 C LYS A 405 1.737 -37.297 0.915 1.00 0.00 C ATOM 468 O LYS A 405 2.761 -37.902 1.216 1.00 0.00 O ATOM 469 CB LYS A 405 -0.315 -38.196 -0.317 1.00 0.00 C ATOM 470 CG LYS A 405 -1.756 -38.720 -0.168 1.00 0.00 C ATOM 471 CD LYS A 405 -2.468 -38.765 -1.525 1.00 0.00 C ATOM 472 CE LYS A 405 -3.990 -38.642 -1.348 1.00 0.00 C ATOM 473 NZ LYS A 405 -4.676 -38.425 -2.635 1.00 0.00 N ATOM 0 H LYS A 405 -1.287 -36.779 1.406 1.00 0.00 H new ATOM 0 HA LYS A 405 0.516 -38.969 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -0.328 -37.256 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 405 0.268 -38.904 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -1.740 -39.717 0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -2.311 -38.079 0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -2.105 -37.956 -2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -2.231 -39.699 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -4.376 -39.547 -0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -4.212 -37.815 -0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -5.482 -37.782 -2.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -4.012 -38.004 -3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -5.019 -39.335 -3.003 1.00 0.00 H new ATOM 487 N ILE A 406 1.751 -36.022 0.503 1.00 0.00 N ATOM 488 CA ILE A 406 2.957 -35.211 0.372 1.00 0.00 C ATOM 489 C ILE A 406 3.709 -35.168 1.710 1.00 0.00 C ATOM 490 O ILE A 406 4.934 -35.184 1.708 1.00 0.00 O ATOM 491 CB ILE A 406 2.600 -33.818 -0.199 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.465 -33.923 -1.731 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.615 -32.729 0.173 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.800 -32.697 -2.367 1.00 0.00 C ATOM 0 H ILE A 406 0.901 -35.519 0.247 1.00 0.00 H new ATOM 0 HA ILE A 406 3.644 -35.662 -0.345 1.00 0.00 H new ATOM 0 HB ILE A 406 1.655 -33.514 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.455 -34.058 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.884 -34.812 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.304 -31.778 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 406 3.666 -32.635 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.597 -32.999 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.736 -32.836 -3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.798 -32.573 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.393 -31.808 -2.150 1.00 0.00 H new ATOM 506 N LEU A 407 2.999 -35.138 2.843 1.00 0.00 N ATOM 507 CA LEU A 407 3.589 -35.137 4.177 1.00 0.00 C ATOM 508 C LEU A 407 4.343 -36.456 4.391 1.00 0.00 C ATOM 509 O LEU A 407 5.443 -36.472 4.937 1.00 0.00 O ATOM 510 CB LEU A 407 2.482 -34.942 5.228 1.00 0.00 C ATOM 511 CG LEU A 407 2.919 -34.239 6.525 1.00 0.00 C ATOM 512 CD1 LEU A 407 1.716 -34.197 7.476 1.00 0.00 C ATOM 513 CD2 LEU A 407 4.093 -34.918 7.235 1.00 0.00 C ATOM 0 H LEU A 407 1.979 -35.113 2.854 1.00 0.00 H new ATOM 0 HA LEU A 407 4.297 -34.315 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 407 1.674 -34.366 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 407 2.072 -35.919 5.485 1.00 0.00 H new ATOM 0 HG LEU A 407 3.263 -33.242 6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 407 2.003 -33.702 8.404 1.00 0.00 H new ATOM 0 HD12 LEU A 407 0.901 -33.645 7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 407 1.388 -35.214 7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 407 4.341 -34.363 8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 407 3.817 -35.939 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 407 4.958 -34.936 6.572 1.00 0.00 H new ATOM 525 N LEU A 408 3.756 -37.578 3.953 1.00 0.00 N ATOM 526 CA LEU A 408 4.384 -38.884 4.088 1.00 0.00 C ATOM 527 C LEU A 408 5.616 -38.979 3.180 1.00 0.00 C ATOM 528 O LEU A 408 6.675 -39.428 3.616 1.00 0.00 O ATOM 529 CB LEU A 408 3.354 -39.984 3.780 1.00 0.00 C ATOM 530 CG LEU A 408 3.911 -41.415 3.881 1.00 0.00 C ATOM 531 CD1 LEU A 408 4.393 -41.750 5.297 1.00 0.00 C ATOM 532 CD2 LEU A 408 2.816 -42.405 3.471 1.00 0.00 C ATOM 0 H LEU A 408 2.842 -37.599 3.501 1.00 0.00 H new ATOM 0 HA LEU A 408 4.729 -39.023 5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 408 2.515 -39.883 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 408 2.962 -39.828 2.775 1.00 0.00 H new ATOM 0 HG LEU A 408 4.771 -41.488 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 408 4.777 -42.770 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 408 5.184 -41.058 5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 408 3.561 -41.661 5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 408 3.201 -43.422 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 408 1.959 -42.296 4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 408 2.507 -42.202 2.446 1.00 0.00 H new ATOM 544 N HIS A 409 5.475 -38.564 1.916 1.00 0.00 N ATOM 545 CA HIS A 409 6.538 -38.607 0.919 1.00 0.00 C ATOM 546 C HIS A 409 7.696 -37.654 1.234 1.00 0.00 C ATOM 547 O HIS A 409 8.849 -37.998 0.982 1.00 0.00 O ATOM 548 CB HIS A 409 5.957 -38.289 -0.465 1.00 0.00 C ATOM 549 CG HIS A 409 4.860 -39.226 -0.905 1.00 0.00 C ATOM 550 ND1 HIS A 409 5.008 -40.603 -0.908 1.00 0.00 N ATOM 551 CD2 HIS A 409 3.585 -38.999 -1.361 1.00 0.00 C ATOM 552 CE1 HIS A 409 3.852 -41.128 -1.349 1.00 0.00 C ATOM 553 NE2 HIS A 409 2.940 -40.199 -1.643 1.00 0.00 N ATOM 0 H HIS A 409 4.600 -38.183 1.556 1.00 0.00 H new ATOM 0 HA HIS A 409 6.952 -39.615 0.934 1.00 0.00 H new ATOM 0 HB2 HIS A 409 5.569 -37.271 -0.458 1.00 0.00 H new ATOM 0 HB3 HIS A 409 6.761 -38.319 -1.200 1.00 0.00 H new ATOM 0 HD2 HIS A 409 3.143 -38.021 -1.484 1.00 0.00 H new ATOM 0 HE1 HIS A 409 3.679 -42.189 -1.454 1.00 0.00 H new ATOM 0 HE2 HIS A 409 1.992 -40.337 -1.993 1.00 0.00 H new ATOM 561 N TYR A 410 7.394 -36.460 1.755 1.00 0.00 N ATOM 562 CA TYR A 410 8.363 -35.423 2.076 1.00 0.00 C ATOM 563 C TYR A 410 8.084 -34.861 3.468 1.00 0.00 C ATOM 564 O TYR A 410 6.961 -34.456 3.758 1.00 0.00 O ATOM 565 CB TYR A 410 8.268 -34.294 1.045 1.00 0.00 C ATOM 566 CG TYR A 410 8.259 -34.713 -0.411 1.00 0.00 C ATOM 567 CD1 TYR A 410 9.468 -34.892 -1.107 1.00 0.00 C ATOM 568 CD2 TYR A 410 7.034 -34.917 -1.072 1.00 0.00 C ATOM 569 CE1 TYR A 410 9.448 -35.273 -2.460 1.00 0.00 C ATOM 570 CE2 TYR A 410 7.014 -35.299 -2.422 1.00 0.00 C ATOM 571 CZ TYR A 410 8.223 -35.474 -3.115 1.00 0.00 C ATOM 572 OH TYR A 410 8.203 -35.838 -4.427 1.00 0.00 O ATOM 0 H TYR A 410 6.435 -36.186 1.969 1.00 0.00 H new ATOM 0 HA TYR A 410 9.364 -35.854 2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.359 -33.726 1.243 1.00 0.00 H new ATOM 0 HB3 TYR A 410 9.108 -33.617 1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.410 -34.737 -0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 410 6.105 -34.779 -0.538 1.00 0.00 H new ATOM 0 HE1 TYR A 410 10.376 -35.411 -2.996 1.00 0.00 H new ATOM 0 HE2 TYR A 410 6.072 -35.458 -2.926 1.00 0.00 H new ATOM 0 HH TYR A 410 9.006 -36.361 -4.634 1.00 0.00 H new ATOM 582 N LYS A 411 9.102 -34.827 4.334 1.00 0.00 N ATOM 583 CA LYS A 411 8.973 -34.328 5.696 1.00 0.00 C ATOM 584 C LYS A 411 9.155 -32.805 5.736 1.00 0.00 C ATOM 585 O LYS A 411 10.081 -32.273 5.127 1.00 0.00 O ATOM 586 CB LYS A 411 9.985 -35.081 6.579 1.00 0.00 C ATOM 587 CG LYS A 411 9.711 -34.978 8.088 1.00 0.00 C ATOM 588 CD LYS A 411 10.504 -33.846 8.758 1.00 0.00 C ATOM 589 CE LYS A 411 10.252 -33.782 10.274 1.00 0.00 C ATOM 590 NZ LYS A 411 8.834 -33.533 10.597 1.00 0.00 N ATOM 0 H LYS A 411 10.042 -35.148 4.103 1.00 0.00 H new ATOM 0 HA LYS A 411 7.972 -34.514 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 411 9.986 -36.133 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.984 -34.695 6.376 1.00 0.00 H new ATOM 0 HG2 LYS A 411 8.645 -34.815 8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 411 9.964 -35.925 8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 411 11.568 -33.991 8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 411 10.229 -32.894 8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 411 10.567 -34.719 10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.865 -32.993 10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 8.766 -33.057 11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 8.412 -32.928 9.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 8.323 -34.438 10.636 1.00 0.00 H new ATOM 604 N PHE A 412 8.269 -32.120 6.470 1.00 0.00 N ATOM 605 CA PHE A 412 8.256 -30.671 6.686 1.00 0.00 C ATOM 606 C PHE A 412 8.244 -30.426 8.198 1.00 0.00 C ATOM 607 O PHE A 412 8.327 -31.387 8.965 1.00 0.00 O ATOM 608 CB PHE A 412 6.997 -30.063 6.056 1.00 0.00 C ATOM 609 CG PHE A 412 6.809 -30.309 4.576 1.00 0.00 C ATOM 610 CD1 PHE A 412 6.169 -31.478 4.128 1.00 0.00 C ATOM 611 CD2 PHE A 412 7.268 -29.363 3.644 1.00 0.00 C ATOM 612 CE1 PHE A 412 5.989 -31.700 2.752 1.00 0.00 C ATOM 613 CE2 PHE A 412 7.085 -29.588 2.271 1.00 0.00 C ATOM 614 CZ PHE A 412 6.446 -30.754 1.820 1.00 0.00 C ATOM 0 H PHE A 412 7.503 -32.588 6.954 1.00 0.00 H new ATOM 0 HA PHE A 412 9.131 -30.209 6.228 1.00 0.00 H new ATOM 0 HB2 PHE A 412 6.127 -30.455 6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 412 7.014 -28.986 6.225 1.00 0.00 H new ATOM 0 HD1 PHE A 412 5.815 -32.207 4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 412 7.761 -28.464 3.984 1.00 0.00 H new ATOM 0 HE1 PHE A 412 5.498 -32.600 2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 412 7.438 -28.859 1.556 1.00 0.00 H new ATOM 0 HZ PHE A 412 6.307 -30.922 0.762 1.00 0.00 H new ATOM 624 N ASN A 413 8.118 -29.175 8.662 1.00 0.00 N ATOM 625 CA ASN A 413 8.076 -28.877 10.093 1.00 0.00 C ATOM 626 C ASN A 413 6.692 -29.198 10.674 1.00 0.00 C ATOM 627 O ASN A 413 5.993 -28.310 11.161 1.00 0.00 O ATOM 628 CB ASN A 413 8.424 -27.412 10.380 1.00 0.00 C ATOM 629 CG ASN A 413 9.825 -26.968 9.973 1.00 0.00 C ATOM 630 OD1 ASN A 413 10.562 -27.689 9.304 1.00 0.00 O ATOM 631 ND2 ASN A 413 10.196 -25.764 10.407 1.00 0.00 N ATOM 0 H ASN A 413 8.043 -28.354 8.062 1.00 0.00 H new ATOM 0 HA ASN A 413 8.826 -29.507 10.572 1.00 0.00 H new ATOM 0 HB2 ASN A 413 7.700 -26.779 9.867 1.00 0.00 H new ATOM 0 HB3 ASN A 413 8.303 -27.233 11.448 1.00 0.00 H new ATOM 0 HD21 ASN A 413 11.125 -25.406 10.186 1.00 0.00 H new ATOM 0 HD22 ASN A 413 9.551 -25.200 10.960 1.00 0.00 H new ATOM 638 N ASN A 414 6.306 -30.479 10.618 1.00 0.00 N ATOM 639 CA ASN A 414 5.043 -31.022 11.105 1.00 0.00 C ATOM 640 C ASN A 414 3.865 -30.233 10.527 1.00 0.00 C ATOM 641 O ASN A 414 2.956 -29.825 11.248 1.00 0.00 O ATOM 642 CB ASN A 414 5.039 -31.086 12.640 1.00 0.00 C ATOM 643 CG ASN A 414 6.177 -31.934 13.215 1.00 0.00 C ATOM 644 OD1 ASN A 414 6.942 -32.570 12.488 1.00 0.00 O ATOM 645 ND2 ASN A 414 6.298 -31.948 14.542 1.00 0.00 N ATOM 0 H ASN A 414 6.902 -31.198 10.209 1.00 0.00 H new ATOM 0 HA ASN A 414 4.929 -32.048 10.756 1.00 0.00 H new ATOM 0 HB2 ASN A 414 5.112 -30.074 13.039 1.00 0.00 H new ATOM 0 HB3 ASN A 414 4.086 -31.493 12.977 1.00 0.00 H new ATOM 0 HD21 ASN A 414 7.039 -32.495 14.981 1.00 0.00 H new ATOM 0 HD22 ASN A 414 5.650 -31.412 15.119 1.00 0.00 H new ATOM 652 N ARG A 415 3.903 -30.020 9.209 1.00 0.00 N ATOM 653 CA ARG A 415 2.893 -29.282 8.472 1.00 0.00 C ATOM 654 C ARG A 415 1.725 -30.216 8.159 1.00 0.00 C ATOM 655 O ARG A 415 1.873 -31.148 7.373 1.00 0.00 O ATOM 656 CB ARG A 415 3.519 -28.693 7.200 1.00 0.00 C ATOM 657 CG ARG A 415 4.787 -27.871 7.479 1.00 0.00 C ATOM 658 CD ARG A 415 4.528 -26.695 8.420 1.00 0.00 C ATOM 659 NE ARG A 415 5.654 -25.750 8.413 1.00 0.00 N ATOM 660 CZ ARG A 415 5.616 -24.541 8.996 1.00 0.00 C ATOM 661 NH1 ARG A 415 4.506 -24.159 9.638 1.00 0.00 N ATOM 662 NH2 ARG A 415 6.675 -23.730 8.931 1.00 0.00 N ATOM 0 H ARG A 415 4.658 -30.367 8.618 1.00 0.00 H new ATOM 0 HA ARG A 415 2.510 -28.452 9.065 1.00 0.00 H new ATOM 0 HB2 ARG A 415 3.762 -29.503 6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.785 -28.060 6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 415 5.548 -28.519 7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 415 5.188 -27.497 6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 415 3.616 -26.180 8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 415 4.367 -27.065 9.433 1.00 0.00 H new ATOM 0 HE ARG A 415 6.513 -26.028 7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.701 -24.784 9.681 1.00 0.00 H new ATOM 0 HH12 ARG A 415 4.465 -23.243 10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 415 7.516 -24.028 8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 415 6.643 -22.812 9.375 1.00 0.00 H new ATOM 676 N THR A 416 0.572 -29.969 8.787 1.00 0.00 N ATOM 677 CA THR A 416 -0.640 -30.762 8.627 1.00 0.00 C ATOM 678 C THR A 416 -1.211 -30.623 7.211 1.00 0.00 C ATOM 679 O THR A 416 -0.763 -29.773 6.444 1.00 0.00 O ATOM 680 CB THR A 416 -1.687 -30.312 9.666 1.00 0.00 C ATOM 681 OG1 THR A 416 -2.320 -29.119 9.247 1.00 0.00 O ATOM 682 CG2 THR A 416 -1.093 -30.066 11.058 1.00 0.00 C ATOM 0 H THR A 416 0.458 -29.191 9.436 1.00 0.00 H new ATOM 0 HA THR A 416 -0.391 -31.811 8.786 1.00 0.00 H new ATOM 0 HB THR A 416 -2.400 -31.133 9.738 1.00 0.00 H new ATOM 0 HG1 THR A 416 -2.983 -28.848 9.916 1.00 0.00 H new ATOM 0 HG21 THR A 416 -1.883 -29.752 11.740 1.00 0.00 H new ATOM 0 HG22 THR A 416 -0.638 -30.985 11.427 1.00 0.00 H new ATOM 0 HG23 THR A 416 -0.335 -29.285 10.997 1.00 0.00 H new ATOM 690 N SER A 417 -2.224 -31.433 6.872 1.00 0.00 N ATOM 691 CA SER A 417 -2.898 -31.366 5.576 1.00 0.00 C ATOM 692 C SER A 417 -3.401 -29.932 5.361 1.00 0.00 C ATOM 693 O SER A 417 -3.210 -29.344 4.297 1.00 0.00 O ATOM 694 CB SER A 417 -4.041 -32.395 5.534 1.00 0.00 C ATOM 695 OG SER A 417 -4.782 -32.328 4.329 1.00 0.00 O ATOM 0 H SER A 417 -2.596 -32.152 7.492 1.00 0.00 H new ATOM 0 HA SER A 417 -2.211 -31.613 4.766 1.00 0.00 H new ATOM 0 HB2 SER A 417 -3.629 -33.397 5.649 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.709 -32.227 6.378 1.00 0.00 H new ATOM 0 HG SER A 417 -5.496 -33.000 4.346 1.00 0.00 H new ATOM 701 N VAL A 418 -4.020 -29.369 6.408 1.00 0.00 N ATOM 702 CA VAL A 418 -4.539 -28.010 6.432 1.00 0.00 C ATOM 703 C VAL A 418 -3.395 -27.007 6.263 1.00 0.00 C ATOM 704 O VAL A 418 -3.504 -26.085 5.460 1.00 0.00 O ATOM 705 CB VAL A 418 -5.280 -27.759 7.760 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.768 -26.312 7.861 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.482 -28.694 7.928 1.00 0.00 C ATOM 0 H VAL A 418 -4.174 -29.868 7.284 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.239 -27.880 5.607 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.560 -27.958 8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -6.286 -26.168 8.809 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.915 -25.636 7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.451 -26.100 7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.976 -28.484 8.877 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -7.184 -28.534 7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -6.142 -29.729 7.917 1.00 0.00 H new ATOM 717 N MET A 419 -2.310 -27.170 7.031 1.00 0.00 N ATOM 718 CA MET A 419 -1.163 -26.272 7.000 1.00 0.00 C ATOM 719 C MET A 419 -0.569 -26.192 5.591 1.00 0.00 C ATOM 720 O MET A 419 -0.373 -25.101 5.058 1.00 0.00 O ATOM 721 CB MET A 419 -0.162 -26.709 8.080 1.00 0.00 C ATOM 722 CG MET A 419 0.789 -25.620 8.590 1.00 0.00 C ATOM 723 SD MET A 419 0.068 -24.153 9.376 1.00 0.00 S ATOM 724 CE MET A 419 0.057 -23.014 7.969 1.00 0.00 C ATOM 0 H MET A 419 -2.209 -27.938 7.695 1.00 0.00 H new ATOM 0 HA MET A 419 -1.466 -25.252 7.235 1.00 0.00 H new ATOM 0 HB2 MET A 419 -0.721 -27.103 8.929 1.00 0.00 H new ATOM 0 HB3 MET A 419 0.436 -27.530 7.684 1.00 0.00 H new ATOM 0 HG2 MET A 419 1.470 -26.081 9.306 1.00 0.00 H new ATOM 0 HG3 MET A 419 1.393 -25.284 7.747 1.00 0.00 H new ATOM 0 HE1 MET A 419 0.899 -22.327 8.051 1.00 0.00 H new ATOM 0 HE2 MET A 419 0.140 -23.581 7.042 1.00 0.00 H new ATOM 0 HE3 MET A 419 -0.874 -22.448 7.967 1.00 0.00 H new ATOM 734 N LEU A 420 -0.310 -27.354 4.983 1.00 0.00 N ATOM 735 CA LEU A 420 0.215 -27.486 3.632 1.00 0.00 C ATOM 736 C LEU A 420 -0.721 -26.779 2.648 1.00 0.00 C ATOM 737 O LEU A 420 -0.278 -25.940 1.862 1.00 0.00 O ATOM 738 CB LEU A 420 0.332 -28.975 3.278 1.00 0.00 C ATOM 739 CG LEU A 420 1.487 -29.698 3.989 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.201 -31.198 4.107 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.789 -29.542 3.197 1.00 0.00 C ATOM 0 H LEU A 420 -0.467 -28.254 5.437 1.00 0.00 H new ATOM 0 HA LEU A 420 1.201 -27.026 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.604 -29.472 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.465 -29.072 2.200 1.00 0.00 H new ATOM 0 HG LEU A 420 1.584 -29.252 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 420 2.032 -31.688 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.286 -31.350 4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.080 -31.625 3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.595 -30.061 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.663 -29.970 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 420 3.036 -28.484 3.108 1.00 0.00 H new ATOM 753 N LYS A 421 -2.016 -27.121 2.702 1.00 0.00 N ATOM 754 CA LYS A 421 -3.042 -26.548 1.844 1.00 0.00 C ATOM 755 C LYS A 421 -3.035 -25.023 1.908 1.00 0.00 C ATOM 756 O LYS A 421 -2.915 -24.365 0.877 1.00 0.00 O ATOM 757 CB LYS A 421 -4.423 -27.105 2.244 1.00 0.00 C ATOM 758 CG LYS A 421 -5.657 -26.307 1.773 1.00 0.00 C ATOM 759 CD LYS A 421 -6.140 -26.590 0.347 1.00 0.00 C ATOM 760 CE LYS A 421 -5.199 -26.209 -0.795 1.00 0.00 C ATOM 761 NZ LYS A 421 -5.781 -26.607 -2.089 1.00 0.00 N ATOM 0 H LYS A 421 -2.377 -27.815 3.356 1.00 0.00 H new ATOM 0 HA LYS A 421 -2.827 -26.830 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.506 -28.120 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.459 -27.176 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.479 -26.509 2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.429 -25.244 1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.354 -27.656 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -7.083 -26.064 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -5.019 -25.134 -0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -4.233 -26.695 -0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -5.132 -26.343 -2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -5.930 -27.636 -2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -6.692 -26.123 -2.223 1.00 0.00 H new ATOM 775 N ASP A 422 -3.199 -24.464 3.111 1.00 0.00 N ATOM 776 CA ASP A 422 -3.263 -23.026 3.309 1.00 0.00 C ATOM 777 C ASP A 422 -1.994 -22.331 2.823 1.00 0.00 C ATOM 778 O ASP A 422 -2.077 -21.296 2.169 1.00 0.00 O ATOM 779 CB ASP A 422 -3.573 -22.689 4.767 1.00 0.00 C ATOM 780 CG ASP A 422 -3.804 -21.191 4.927 1.00 0.00 C ATOM 781 OD1 ASP A 422 -4.658 -20.662 4.181 1.00 0.00 O ATOM 782 OD2 ASP A 422 -3.144 -20.600 5.807 1.00 0.00 O ATOM 0 H ASP A 422 -3.291 -25.003 3.972 1.00 0.00 H new ATOM 0 HA ASP A 422 -4.083 -22.644 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -4.457 -23.237 5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -2.747 -23.006 5.404 1.00 0.00 H new ATOM 787 N ARG A 423 -0.818 -22.894 3.119 1.00 0.00 N ATOM 788 CA ARG A 423 0.425 -22.291 2.661 1.00 0.00 C ATOM 789 C ARG A 423 0.413 -22.229 1.130 1.00 0.00 C ATOM 790 O ARG A 423 0.636 -21.167 0.554 1.00 0.00 O ATOM 791 CB ARG A 423 1.638 -23.064 3.190 1.00 0.00 C ATOM 792 CG ARG A 423 2.891 -22.192 3.356 1.00 0.00 C ATOM 793 CD ARG A 423 3.194 -21.219 2.220 1.00 0.00 C ATOM 794 NE ARG A 423 4.555 -20.668 2.336 1.00 0.00 N ATOM 795 CZ ARG A 423 4.888 -19.398 2.621 1.00 0.00 C ATOM 796 NH1 ARG A 423 3.976 -18.531 3.070 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.150 -18.985 2.459 1.00 0.00 N ATOM 0 H ARG A 423 -0.707 -23.750 3.663 1.00 0.00 H new ATOM 0 HA ARG A 423 0.506 -21.277 3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 423 1.384 -23.510 4.152 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.863 -23.884 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 423 2.790 -21.620 4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 423 3.751 -22.850 3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 423 3.086 -21.729 1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 423 2.468 -20.406 2.231 1.00 0.00 H new ATOM 0 HE ARG A 423 5.326 -21.319 2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 423 3.010 -18.830 3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 423 4.246 -17.570 3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 423 6.859 -19.634 2.119 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.403 -18.021 2.675 1.00 0.00 H new ATOM 811 N TRP A 424 0.136 -23.355 0.459 1.00 0.00 N ATOM 812 CA TRP A 424 0.082 -23.411 -0.991 1.00 0.00 C ATOM 813 C TRP A 424 -0.926 -22.401 -1.544 1.00 0.00 C ATOM 814 O TRP A 424 -0.655 -21.729 -2.538 1.00 0.00 O ATOM 815 CB TRP A 424 -0.278 -24.833 -1.404 1.00 0.00 C ATOM 816 CG TRP A 424 -0.121 -25.126 -2.855 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.127 -25.405 -3.710 1.00 0.00 C ATOM 818 CD2 TRP A 424 1.104 -25.188 -3.637 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.617 -25.647 -4.967 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.759 -25.522 -4.978 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.473 -25.003 -3.349 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.724 -25.664 -5.984 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.450 -25.145 -4.350 1.00 0.00 C ATOM 824 CH2 TRP A 424 3.077 -25.479 -5.664 1.00 0.00 C ATOM 0 H TRP A 424 -0.055 -24.247 0.914 1.00 0.00 H new ATOM 0 HA TRP A 424 1.054 -23.145 -1.406 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.344 -25.528 -0.839 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.312 -25.027 -1.119 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.174 -25.434 -3.448 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -1.181 -25.887 -5.782 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.775 -24.748 -2.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 1.430 -25.913 -6.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.492 -24.997 -4.109 1.00 0.00 H new ATOM 0 HH2 TRP A 424 3.833 -25.593 -6.427 1.00 0.00 H new ATOM 835 N ARG A 425 -2.082 -22.289 -0.885 1.00 0.00 N ATOM 836 CA ARG A 425 -3.138 -21.357 -1.246 1.00 0.00 C ATOM 837 C ARG A 425 -2.575 -19.935 -1.224 1.00 0.00 C ATOM 838 O ARG A 425 -2.762 -19.189 -2.182 1.00 0.00 O ATOM 839 CB ARG A 425 -4.318 -21.559 -0.287 1.00 0.00 C ATOM 840 CG ARG A 425 -5.542 -20.710 -0.630 1.00 0.00 C ATOM 841 CD ARG A 425 -6.750 -21.207 0.174 1.00 0.00 C ATOM 842 NE ARG A 425 -6.557 -21.081 1.629 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.442 -21.515 2.543 1.00 0.00 C ATOM 844 NH1 ARG A 425 -8.504 -22.237 2.174 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.263 -21.227 3.835 1.00 0.00 N ATOM 0 H ARG A 425 -2.309 -22.858 -0.070 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.508 -21.536 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.603 -22.611 -0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -3.995 -21.322 0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.346 -19.662 -0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -5.752 -20.771 -1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.634 -20.642 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -6.941 -22.251 -0.074 1.00 0.00 H new ATOM 0 HE ARG A 425 -5.701 -20.638 1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -8.649 -22.464 1.190 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.169 -22.561 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -6.455 -20.678 4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -7.934 -21.556 4.529 1.00 0.00 H new ATOM 859 N THR A 426 -1.864 -19.568 -0.150 1.00 0.00 N ATOM 860 CA THR A 426 -1.234 -18.263 0.005 1.00 0.00 C ATOM 861 C THR A 426 -0.199 -18.025 -1.104 1.00 0.00 C ATOM 862 O THR A 426 -0.150 -16.941 -1.685 1.00 0.00 O ATOM 863 CB THR A 426 -0.631 -18.154 1.414 1.00 0.00 C ATOM 864 OG1 THR A 426 -1.662 -18.359 2.358 1.00 0.00 O ATOM 865 CG2 THR A 426 -0.003 -16.783 1.664 1.00 0.00 C ATOM 0 H THR A 426 -1.711 -20.186 0.647 1.00 0.00 H new ATOM 0 HA THR A 426 -1.980 -17.475 -0.099 1.00 0.00 H new ATOM 0 HB THR A 426 0.153 -18.905 1.508 1.00 0.00 H new ATOM 0 HG1 THR A 426 -1.872 -19.315 2.411 1.00 0.00 H new ATOM 0 HG21 THR A 426 0.411 -16.751 2.672 1.00 0.00 H new ATOM 0 HG22 THR A 426 0.793 -16.610 0.939 1.00 0.00 H new ATOM 0 HG23 THR A 426 -0.764 -16.010 1.559 1.00 0.00 H new ATOM 873 N MET A 427 0.625 -19.031 -1.421 1.00 0.00 N ATOM 874 CA MET A 427 1.628 -18.911 -2.475 1.00 0.00 C ATOM 875 C MET A 427 0.944 -18.596 -3.811 1.00 0.00 C ATOM 876 O MET A 427 1.320 -17.647 -4.498 1.00 0.00 O ATOM 877 CB MET A 427 2.477 -20.187 -2.572 1.00 0.00 C ATOM 878 CG MET A 427 3.378 -20.372 -1.346 1.00 0.00 C ATOM 879 SD MET A 427 4.328 -21.918 -1.312 1.00 0.00 S ATOM 880 CE MET A 427 5.574 -21.568 -2.576 1.00 0.00 C ATOM 0 H MET A 427 0.613 -19.940 -0.958 1.00 0.00 H new ATOM 0 HA MET A 427 2.301 -18.090 -2.229 1.00 0.00 H new ATOM 0 HB2 MET A 427 1.821 -21.052 -2.674 1.00 0.00 H new ATOM 0 HB3 MET A 427 3.092 -20.146 -3.471 1.00 0.00 H new ATOM 0 HG2 MET A 427 4.075 -19.535 -1.297 1.00 0.00 H new ATOM 0 HG3 MET A 427 2.759 -20.325 -0.450 1.00 0.00 H new ATOM 0 HE1 MET A 427 6.240 -22.425 -2.677 1.00 0.00 H new ATOM 0 HE2 MET A 427 5.081 -21.377 -3.529 1.00 0.00 H new ATOM 0 HE3 MET A 427 6.152 -20.691 -2.284 1.00 0.00 H new ATOM 890 N LYS A 428 -0.071 -19.383 -4.180 1.00 0.00 N ATOM 891 CA LYS A 428 -0.812 -19.175 -5.418 1.00 0.00 C ATOM 892 C LYS A 428 -1.543 -17.830 -5.398 1.00 0.00 C ATOM 893 O LYS A 428 -1.604 -17.162 -6.427 1.00 0.00 O ATOM 894 CB LYS A 428 -1.784 -20.337 -5.651 1.00 0.00 C ATOM 895 CG LYS A 428 -0.995 -21.620 -5.926 1.00 0.00 C ATOM 896 CD LYS A 428 -1.869 -22.860 -6.130 1.00 0.00 C ATOM 897 CE LYS A 428 -2.832 -22.765 -7.314 1.00 0.00 C ATOM 898 NZ LYS A 428 -3.538 -24.045 -7.527 1.00 0.00 N ATOM 0 H LYS A 428 -0.397 -20.177 -3.629 1.00 0.00 H new ATOM 0 HA LYS A 428 -0.107 -19.149 -6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -2.422 -20.471 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -2.439 -20.113 -6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -0.380 -21.472 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -0.315 -21.801 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -1.223 -23.726 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -2.445 -23.037 -5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -3.557 -21.971 -7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -2.281 -22.495 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -3.823 -24.122 -8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -2.906 -24.835 -7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -4.383 -24.081 -6.921 1.00 0.00 H new ATOM 912 N LYS A 429 -2.074 -17.410 -4.239 1.00 0.00 N ATOM 913 CA LYS A 429 -2.730 -16.117 -4.076 1.00 0.00 C ATOM 914 C LYS A 429 -1.736 -15.031 -4.487 1.00 0.00 C ATOM 915 O LYS A 429 -2.104 -14.090 -5.187 1.00 0.00 O ATOM 916 CB LYS A 429 -3.226 -15.965 -2.629 1.00 0.00 C ATOM 917 CG LYS A 429 -3.684 -14.554 -2.232 1.00 0.00 C ATOM 918 CD LYS A 429 -2.538 -13.665 -1.711 1.00 0.00 C ATOM 919 CE LYS A 429 -3.063 -12.312 -1.214 1.00 0.00 C ATOM 920 NZ LYS A 429 -1.959 -11.427 -0.797 1.00 0.00 N ATOM 0 H LYS A 429 -2.056 -17.968 -3.385 1.00 0.00 H new ATOM 0 HA LYS A 429 -3.611 -16.030 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -4.056 -16.655 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -2.426 -16.272 -1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -4.144 -14.073 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -4.452 -14.632 -1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -2.019 -14.176 -0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -1.809 -13.505 -2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -3.639 -11.831 -2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -3.742 -12.469 -0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -2.347 -10.520 -0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -1.425 -11.877 -0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -1.325 -11.259 -1.604 1.00 0.00 H new