USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=11 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 381 GLN : amide:sc= 0.606 K(o=0.84,f=-0.056) USER MOD Set 1.2: A 414 ASN : amide:sc= 0.231 K(o=0.84,f=-0.056) USER MOD Set 2.1: A 393 SER OG : rot 143:sc= 1.29 USER MOD Set 2.2: A 397 LYS NZ :NH3+ -153:sc= 0.82 (180deg=-1.18!) USER MOD Set 2.3: A 410 TYR OH : rot 30:sc= 0.988 USER MOD Set 3.1: A 402 ASN : amide:sc= 1.74 K(o=3,f=-5.9!) USER MOD Set 3.2: A 405 LYS NZ :NH3+ -172:sc= 1.23 (180deg=0) USER MOD Set 4.1: A 398 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 409 HIS : no HD1:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 389 LYS NZ :NH3+ -172:sc=-0.000424 (180deg=-0.0735) USER MOD Single : A 390 ASN : amide:sc= 0.189 K(o=0.19,f=-0.88) USER MOD Single : A 404 SER OG : rot 180:sc= -0.0607 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 ASN : amide:sc= 0.322 K(o=0.32,f=-0.2) USER MOD Single : A 416 THR OG1 : rot -170:sc= -0.213 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 THR OG1 : rot 180:sc= 0 USER MOD Single : A 427 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 428 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.19) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 6.139 -21.146 14.144 1.00 0.00 N ATOM 72 CA GLN A 381 7.228 -21.917 13.577 1.00 0.00 C ATOM 73 C GLN A 381 7.233 -21.580 12.085 1.00 0.00 C ATOM 74 O GLN A 381 6.661 -22.308 11.282 1.00 0.00 O ATOM 75 CB GLN A 381 7.024 -23.413 13.865 1.00 0.00 C ATOM 76 CG GLN A 381 8.229 -24.242 13.391 1.00 0.00 C ATOM 77 CD GLN A 381 8.160 -25.698 13.846 1.00 0.00 C ATOM 78 OE1 GLN A 381 7.098 -26.210 14.191 1.00 0.00 O ATOM 79 NE2 GLN A 381 9.305 -26.382 13.853 1.00 0.00 N ATOM 0 HA GLN A 381 8.197 -21.674 14.014 1.00 0.00 H new ATOM 0 HB2 GLN A 381 6.875 -23.563 14.934 1.00 0.00 H new ATOM 0 HB3 GLN A 381 6.120 -23.762 13.365 1.00 0.00 H new ATOM 0 HG2 GLN A 381 8.282 -24.208 12.303 1.00 0.00 H new ATOM 0 HG3 GLN A 381 9.146 -23.791 13.769 1.00 0.00 H new ATOM 0 HE21 GLN A 381 10.171 -25.929 13.561 1.00 0.00 H new ATOM 0 HE22 GLN A 381 9.314 -27.358 14.150 1.00 0.00 H new ATOM 88 N ALA A 382 7.861 -20.458 11.715 1.00 0.00 N ATOM 89 CA ALA A 382 7.933 -19.978 10.341 1.00 0.00 C ATOM 90 C ALA A 382 8.432 -21.059 9.377 1.00 0.00 C ATOM 91 O ALA A 382 9.207 -21.933 9.765 1.00 0.00 O ATOM 92 CB ALA A 382 8.823 -18.735 10.279 1.00 0.00 C ATOM 0 H ALA A 382 8.341 -19.851 12.379 1.00 0.00 H new ATOM 0 HA ALA A 382 6.925 -19.716 10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 382 8.876 -18.377 9.251 1.00 0.00 H new ATOM 0 HB2 ALA A 382 8.403 -17.955 10.914 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.824 -18.987 10.628 1.00 0.00 H new ATOM 98 N TRP A 383 7.977 -20.998 8.123 1.00 0.00 N ATOM 99 CA TRP A 383 8.356 -21.956 7.094 1.00 0.00 C ATOM 100 C TRP A 383 9.785 -21.692 6.622 1.00 0.00 C ATOM 101 O TRP A 383 10.219 -20.543 6.546 1.00 0.00 O ATOM 102 CB TRP A 383 7.352 -21.921 5.938 1.00 0.00 C ATOM 103 CG TRP A 383 6.012 -22.523 6.247 1.00 0.00 C ATOM 104 CD1 TRP A 383 5.115 -22.067 7.154 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.401 -23.707 5.656 1.00 0.00 C ATOM 106 NE1 TRP A 383 4.000 -22.882 7.172 1.00 0.00 N ATOM 107 CE2 TRP A 383 4.126 -23.912 6.262 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.800 -24.634 4.669 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.292 -24.981 5.901 1.00 0.00 C ATOM 110 CZ3 TRP A 383 4.974 -25.711 4.305 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.724 -25.884 4.921 1.00 0.00 C ATOM 0 H TRP A 383 7.333 -20.278 7.796 1.00 0.00 H new ATOM 0 HA TRP A 383 8.333 -22.961 7.515 1.00 0.00 H new ATOM 0 HB2 TRP A 383 7.207 -20.885 5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.783 -22.447 5.086 1.00 0.00 H new ATOM 0 HD1 TRP A 383 5.252 -21.193 7.773 1.00 0.00 H new ATOM 0 HE1 TRP A 383 3.191 -22.741 7.777 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.758 -24.513 4.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.329 -25.106 6.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.302 -26.408 3.548 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.094 -26.715 4.639 1.00 0.00 H new ATOM 122 N LEU A 384 10.506 -22.774 6.322 1.00 0.00 N ATOM 123 CA LEU A 384 11.893 -22.751 5.869 1.00 0.00 C ATOM 124 C LEU A 384 11.969 -23.091 4.380 1.00 0.00 C ATOM 125 O LEU A 384 10.982 -23.554 3.798 1.00 0.00 O ATOM 126 CB LEU A 384 12.721 -23.756 6.688 1.00 0.00 C ATOM 127 CG LEU A 384 12.554 -23.621 8.212 1.00 0.00 C ATOM 128 CD1 LEU A 384 13.452 -24.652 8.904 1.00 0.00 C ATOM 129 CD2 LEU A 384 12.916 -22.218 8.716 1.00 0.00 C ATOM 0 H LEU A 384 10.127 -23.718 6.391 1.00 0.00 H new ATOM 0 HA LEU A 384 12.300 -21.751 6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.441 -24.767 6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 384 13.774 -23.631 6.437 1.00 0.00 H new ATOM 0 HG LEU A 384 11.504 -23.795 8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 384 13.341 -24.564 9.985 1.00 0.00 H new ATOM 0 HD12 LEU A 384 13.163 -25.655 8.590 1.00 0.00 H new ATOM 0 HD13 LEU A 384 14.491 -24.471 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 384 12.782 -22.174 9.797 1.00 0.00 H new ATOM 0 HD22 LEU A 384 13.955 -22.000 8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 384 12.268 -21.482 8.240 1.00 0.00 H new ATOM 141 N TRP A 385 13.145 -22.872 3.762 1.00 0.00 N ATOM 142 CA TRP A 385 13.317 -23.177 2.346 1.00 0.00 C ATOM 143 C TRP A 385 12.942 -24.622 2.095 1.00 0.00 C ATOM 144 O TRP A 385 12.090 -24.828 1.263 1.00 0.00 O ATOM 145 CB TRP A 385 14.724 -22.938 1.761 1.00 0.00 C ATOM 146 CG TRP A 385 15.722 -23.976 2.171 1.00 0.00 C ATOM 147 CD1 TRP A 385 16.197 -24.024 3.413 1.00 0.00 C ATOM 148 CD2 TRP A 385 16.330 -25.112 1.484 1.00 0.00 C ATOM 149 NE1 TRP A 385 17.074 -25.067 3.583 1.00 0.00 N ATOM 150 CE2 TRP A 385 17.189 -25.782 2.412 1.00 0.00 C ATOM 151 CE3 TRP A 385 16.241 -25.660 0.188 1.00 0.00 C ATOM 152 CZ2 TRP A 385 17.923 -26.926 2.071 1.00 0.00 C ATOM 153 CZ3 TRP A 385 16.967 -26.816 -0.155 1.00 0.00 C ATOM 154 CH2 TRP A 385 17.808 -27.448 0.776 1.00 0.00 C ATOM 0 H TRP A 385 13.973 -22.491 4.220 1.00 0.00 H new ATOM 0 HA TRP A 385 12.663 -22.470 1.836 1.00 0.00 H new ATOM 0 HB2 TRP A 385 14.658 -22.917 0.673 1.00 0.00 H new ATOM 0 HB3 TRP A 385 15.079 -21.958 2.078 1.00 0.00 H new ATOM 0 HD1 TRP A 385 15.926 -23.327 4.193 1.00 0.00 H new ATOM 0 HE1 TRP A 385 17.568 -25.281 4.450 1.00 0.00 H new ATOM 0 HE3 TRP A 385 15.609 -25.188 -0.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 18.568 -27.399 2.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 16.876 -27.224 -1.151 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.363 -28.331 0.495 1.00 0.00 H new ATOM 165 N GLU A 386 13.547 -25.617 2.761 1.00 0.00 N ATOM 166 CA GLU A 386 13.255 -27.008 2.465 1.00 0.00 C ATOM 167 C GLU A 386 11.755 -27.289 2.475 1.00 0.00 C ATOM 168 O GLU A 386 11.278 -28.060 1.647 1.00 0.00 O ATOM 169 CB GLU A 386 14.113 -27.986 3.274 1.00 0.00 C ATOM 170 CG GLU A 386 13.841 -29.397 2.737 1.00 0.00 C ATOM 171 CD GLU A 386 14.738 -30.494 3.288 1.00 0.00 C ATOM 172 OE1 GLU A 386 15.655 -30.165 4.071 1.00 0.00 O ATOM 173 OE2 GLU A 386 14.475 -31.651 2.892 1.00 0.00 O ATOM 0 H GLU A 386 14.235 -25.476 3.501 1.00 0.00 H new ATOM 0 HA GLU A 386 13.564 -27.197 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 386 15.170 -27.737 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 386 13.866 -27.926 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 386 12.805 -29.656 2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 386 13.943 -29.379 1.652 1.00 0.00 H new ATOM 180 N GLU A 387 11.000 -26.647 3.371 1.00 0.00 N ATOM 181 CA GLU A 387 9.566 -26.841 3.404 1.00 0.00 C ATOM 182 C GLU A 387 8.916 -26.326 2.117 1.00 0.00 C ATOM 183 O GLU A 387 8.266 -27.096 1.414 1.00 0.00 O ATOM 184 CB GLU A 387 8.949 -26.228 4.665 1.00 0.00 C ATOM 185 CG GLU A 387 9.611 -26.756 5.941 1.00 0.00 C ATOM 186 CD GLU A 387 8.792 -26.390 7.168 1.00 0.00 C ATOM 187 OE1 GLU A 387 7.845 -27.147 7.469 1.00 0.00 O ATOM 188 OE2 GLU A 387 9.123 -25.371 7.814 1.00 0.00 O ATOM 0 H GLU A 387 11.361 -25.999 4.071 1.00 0.00 H new ATOM 0 HA GLU A 387 9.365 -27.911 3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 387 9.048 -25.143 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.882 -26.450 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.717 -27.839 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.615 -26.342 6.032 1.00 0.00 H new ATOM 195 N ASP A 388 9.087 -25.041 1.790 1.00 0.00 N ATOM 196 CA ASP A 388 8.496 -24.459 0.580 1.00 0.00 C ATOM 197 C ASP A 388 9.040 -25.101 -0.702 1.00 0.00 C ATOM 198 O ASP A 388 8.298 -25.380 -1.639 1.00 0.00 O ATOM 199 CB ASP A 388 8.747 -22.950 0.565 1.00 0.00 C ATOM 200 CG ASP A 388 8.056 -22.237 1.720 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.917 -22.623 2.059 1.00 0.00 O ATOM 202 OD2 ASP A 388 8.644 -21.253 2.216 1.00 0.00 O ATOM 0 H ASP A 388 9.631 -24.383 2.348 1.00 0.00 H new ATOM 0 HA ASP A 388 7.425 -24.658 0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.820 -22.762 0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 388 8.394 -22.535 -0.379 1.00 0.00 H new ATOM 207 N LYS A 389 10.350 -25.326 -0.721 1.00 0.00 N ATOM 208 CA LYS A 389 11.173 -25.923 -1.757 1.00 0.00 C ATOM 209 C LYS A 389 10.594 -27.308 -2.098 1.00 0.00 C ATOM 210 O LYS A 389 10.197 -27.569 -3.238 1.00 0.00 O ATOM 211 CB LYS A 389 12.648 -25.972 -1.255 1.00 0.00 C ATOM 212 CG LYS A 389 13.606 -26.567 -2.299 1.00 0.00 C ATOM 213 CD LYS A 389 13.943 -25.545 -3.394 1.00 0.00 C ATOM 214 CE LYS A 389 14.932 -26.101 -4.427 1.00 0.00 C ATOM 215 NZ LYS A 389 16.250 -26.407 -3.839 1.00 0.00 N ATOM 0 H LYS A 389 10.921 -25.063 0.082 1.00 0.00 H new ATOM 0 HA LYS A 389 11.169 -25.336 -2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.975 -24.964 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.698 -26.565 -0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 389 14.523 -26.894 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 389 13.153 -27.450 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 389 13.026 -25.242 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.365 -24.651 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 389 14.517 -27.005 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 389 15.056 -25.377 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 16.920 -26.650 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 16.600 -25.576 -3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 16.160 -27.211 -3.186 1.00 0.00 H new ATOM 229 N ASN A 390 10.534 -28.196 -1.100 1.00 0.00 N ATOM 230 CA ASN A 390 10.005 -29.544 -1.258 1.00 0.00 C ATOM 231 C ASN A 390 8.514 -29.501 -1.596 1.00 0.00 C ATOM 232 O ASN A 390 8.070 -30.250 -2.462 1.00 0.00 O ATOM 233 CB ASN A 390 10.232 -30.394 -0.002 1.00 0.00 C ATOM 234 CG ASN A 390 11.692 -30.752 0.277 1.00 0.00 C ATOM 235 OD1 ASN A 390 12.598 -30.297 -0.419 1.00 0.00 O ATOM 236 ND2 ASN A 390 11.920 -31.578 1.302 1.00 0.00 N ATOM 0 H ASN A 390 10.855 -27.992 -0.154 1.00 0.00 H new ATOM 0 HA ASN A 390 10.546 -30.010 -2.082 1.00 0.00 H new ATOM 0 HB2 ASN A 390 9.834 -29.857 0.859 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.658 -31.316 -0.096 1.00 0.00 H new ATOM 0 HD21 ASN A 390 12.875 -31.854 1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 390 11.139 -31.933 1.854 1.00 0.00 H new ATOM 243 N LEU A 391 7.740 -28.633 -0.930 1.00 0.00 N ATOM 244 CA LEU A 391 6.309 -28.481 -1.172 1.00 0.00 C ATOM 245 C LEU A 391 6.066 -28.154 -2.645 1.00 0.00 C ATOM 246 O LEU A 391 5.222 -28.780 -3.280 1.00 0.00 O ATOM 247 CB LEU A 391 5.735 -27.406 -0.239 1.00 0.00 C ATOM 248 CG LEU A 391 4.261 -27.062 -0.502 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.356 -28.288 -0.366 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.824 -25.964 0.474 1.00 0.00 C ATOM 0 H LEU A 391 8.098 -28.014 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 391 5.793 -29.416 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.839 -27.744 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.331 -26.499 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 391 4.166 -26.708 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.323 -28.001 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.662 -29.048 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.437 -28.690 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.779 -25.713 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.942 -26.319 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 391 4.441 -25.078 0.324 1.00 0.00 H new ATOM 262 N ARG A 392 6.817 -27.193 -3.193 1.00 0.00 N ATOM 263 CA ARG A 392 6.732 -26.791 -4.590 1.00 0.00 C ATOM 264 C ARG A 392 6.991 -28.014 -5.467 1.00 0.00 C ATOM 265 O ARG A 392 6.231 -28.273 -6.398 1.00 0.00 O ATOM 266 CB ARG A 392 7.704 -25.633 -4.852 1.00 0.00 C ATOM 267 CG ARG A 392 7.670 -25.134 -6.303 1.00 0.00 C ATOM 268 CD ARG A 392 8.431 -23.803 -6.402 1.00 0.00 C ATOM 269 NE ARG A 392 8.553 -23.323 -7.789 1.00 0.00 N ATOM 270 CZ ARG A 392 9.459 -23.754 -8.684 1.00 0.00 C ATOM 271 NH1 ARG A 392 10.279 -24.773 -8.392 1.00 0.00 N ATOM 272 NH2 ARG A 392 9.546 -23.149 -9.874 1.00 0.00 N ATOM 0 H ARG A 392 7.512 -26.667 -2.663 1.00 0.00 H new ATOM 0 HA ARG A 392 5.738 -26.419 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 392 7.463 -24.806 -4.184 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.717 -25.954 -4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 392 8.121 -25.874 -6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 392 6.639 -25.001 -6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 392 7.918 -23.050 -5.804 1.00 0.00 H new ATOM 0 HD3 ARG A 392 9.426 -23.925 -5.975 1.00 0.00 H new ATOM 0 HE ARG A 392 7.897 -22.605 -8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 392 10.220 -25.231 -7.482 1.00 0.00 H new ATOM 0 HH12 ARG A 392 10.962 -25.091 -9.079 1.00 0.00 H new ATOM 0 HH21 ARG A 392 8.928 -22.368 -10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 392 10.230 -23.469 -10.560 1.00 0.00 H new ATOM 286 N SER A 393 8.042 -28.789 -5.156 1.00 0.00 N ATOM 287 CA SER A 393 8.337 -30.013 -5.896 1.00 0.00 C ATOM 288 C SER A 393 7.158 -30.995 -5.788 1.00 0.00 C ATOM 289 O SER A 393 6.846 -31.698 -6.749 1.00 0.00 O ATOM 290 CB SER A 393 9.641 -30.640 -5.387 1.00 0.00 C ATOM 291 OG SER A 393 10.068 -31.687 -6.242 1.00 0.00 O ATOM 0 H SER A 393 8.695 -28.586 -4.400 1.00 0.00 H new ATOM 0 HA SER A 393 8.474 -29.771 -6.950 1.00 0.00 H new ATOM 0 HB2 SER A 393 10.416 -29.876 -5.326 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.494 -31.026 -4.378 1.00 0.00 H new ATOM 0 HG SER A 393 11.046 -31.677 -6.308 1.00 0.00 H new ATOM 297 N GLY A 394 6.502 -31.045 -4.625 1.00 0.00 N ATOM 298 CA GLY A 394 5.358 -31.899 -4.350 1.00 0.00 C ATOM 299 C GLY A 394 4.174 -31.538 -5.241 1.00 0.00 C ATOM 300 O GLY A 394 3.679 -32.391 -5.972 1.00 0.00 O ATOM 0 H GLY A 394 6.767 -30.470 -3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 394 5.632 -32.942 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.072 -31.802 -3.303 1.00 0.00 H new ATOM 304 N VAL A 395 3.721 -30.280 -5.195 1.00 0.00 N ATOM 305 CA VAL A 395 2.605 -29.810 -6.007 1.00 0.00 C ATOM 306 C VAL A 395 2.950 -29.965 -7.490 1.00 0.00 C ATOM 307 O VAL A 395 2.110 -30.379 -8.278 1.00 0.00 O ATOM 308 CB VAL A 395 2.214 -28.371 -5.631 1.00 0.00 C ATOM 309 CG1 VAL A 395 1.053 -27.894 -6.514 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.764 -28.304 -4.165 1.00 0.00 C ATOM 0 H VAL A 395 4.122 -29.562 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 395 1.725 -30.422 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 395 3.086 -27.734 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.783 -26.874 -6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.357 -27.921 -7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.193 -28.548 -6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.491 -27.279 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 395 0.902 -28.955 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.579 -28.630 -3.519 1.00 0.00 H new ATOM 320 N ARG A 396 4.190 -29.670 -7.885 1.00 0.00 N ATOM 321 CA ARG A 396 4.624 -29.842 -9.265 1.00 0.00 C ATOM 322 C ARG A 396 4.458 -31.309 -9.694 1.00 0.00 C ATOM 323 O ARG A 396 4.080 -31.588 -10.829 1.00 0.00 O ATOM 324 CB ARG A 396 6.091 -29.398 -9.365 1.00 0.00 C ATOM 325 CG ARG A 396 6.723 -29.682 -10.736 1.00 0.00 C ATOM 326 CD ARG A 396 8.187 -29.234 -10.788 1.00 0.00 C ATOM 327 NE ARG A 396 9.007 -29.926 -9.779 1.00 0.00 N ATOM 328 CZ ARG A 396 10.340 -29.817 -9.660 1.00 0.00 C ATOM 329 NH1 ARG A 396 11.043 -29.108 -10.553 1.00 0.00 N ATOM 330 NH2 ARG A 396 10.971 -30.420 -8.643 1.00 0.00 N ATOM 0 H ARG A 396 4.912 -29.309 -7.262 1.00 0.00 H new ATOM 0 HA ARG A 396 4.014 -29.235 -9.934 1.00 0.00 H new ATOM 0 HB2 ARG A 396 6.154 -28.330 -9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 396 6.670 -29.906 -8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 396 6.661 -30.749 -10.952 1.00 0.00 H new ATOM 0 HG3 ARG A 396 6.157 -29.166 -11.512 1.00 0.00 H new ATOM 0 HD2 ARG A 396 8.592 -29.429 -11.781 1.00 0.00 H new ATOM 0 HD3 ARG A 396 8.244 -28.158 -10.626 1.00 0.00 H new ATOM 0 HE ARG A 396 8.524 -30.536 -9.119 1.00 0.00 H new ATOM 0 HH11 ARG A 396 10.566 -28.648 -11.328 1.00 0.00 H new ATOM 0 HH12 ARG A 396 12.055 -29.028 -10.458 1.00 0.00 H new ATOM 0 HH21 ARG A 396 10.439 -30.961 -7.961 1.00 0.00 H new ATOM 0 HH22 ARG A 396 11.984 -30.338 -8.551 1.00 0.00 H new ATOM 344 N LYS A 397 4.769 -32.237 -8.783 1.00 0.00 N ATOM 345 CA LYS A 397 4.743 -33.677 -9.000 1.00 0.00 C ATOM 346 C LYS A 397 3.377 -34.358 -8.853 1.00 0.00 C ATOM 347 O LYS A 397 3.166 -35.384 -9.498 1.00 0.00 O ATOM 348 CB LYS A 397 5.813 -34.257 -8.072 1.00 0.00 C ATOM 349 CG LYS A 397 6.250 -35.693 -8.356 1.00 0.00 C ATOM 350 CD LYS A 397 7.377 -36.128 -7.399 1.00 0.00 C ATOM 351 CE LYS A 397 8.604 -35.196 -7.398 1.00 0.00 C ATOM 352 NZ LYS A 397 8.475 -34.077 -6.439 1.00 0.00 N ATOM 0 H LYS A 397 5.057 -31.989 -7.836 1.00 0.00 H new ATOM 0 HA LYS A 397 4.957 -33.881 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 397 6.693 -33.616 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 397 5.441 -34.209 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 397 5.398 -36.364 -8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 397 6.592 -35.775 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 397 6.977 -36.183 -6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 397 7.699 -37.133 -7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 397 9.494 -35.776 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 397 8.750 -34.794 -8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 9.042 -33.270 -6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 7.477 -33.793 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 8.815 -34.380 -5.504 1.00 0.00 H new ATOM 366 N TYR A 398 2.465 -33.838 -8.018 1.00 0.00 N ATOM 367 CA TYR A 398 1.158 -34.458 -7.775 1.00 0.00 C ATOM 368 C TYR A 398 -0.039 -33.509 -7.885 1.00 0.00 C ATOM 369 O TYR A 398 -1.165 -33.973 -8.053 1.00 0.00 O ATOM 370 CB TYR A 398 1.175 -35.101 -6.383 1.00 0.00 C ATOM 371 CG TYR A 398 2.379 -35.990 -6.135 1.00 0.00 C ATOM 372 CD1 TYR A 398 2.559 -37.158 -6.895 1.00 0.00 C ATOM 373 CD2 TYR A 398 3.324 -35.642 -5.154 1.00 0.00 C ATOM 374 CE1 TYR A 398 3.678 -37.976 -6.672 1.00 0.00 C ATOM 375 CE2 TYR A 398 4.443 -36.460 -4.930 1.00 0.00 C ATOM 376 CZ TYR A 398 4.619 -37.631 -5.687 1.00 0.00 C ATOM 377 OH TYR A 398 5.703 -38.430 -5.472 1.00 0.00 O ATOM 0 H TYR A 398 2.615 -32.976 -7.493 1.00 0.00 H new ATOM 0 HA TYR A 398 1.016 -35.194 -8.567 1.00 0.00 H new ATOM 0 HB2 TYR A 398 1.154 -34.314 -5.629 1.00 0.00 H new ATOM 0 HB3 TYR A 398 0.267 -35.690 -6.254 1.00 0.00 H new ATOM 0 HD1 TYR A 398 1.836 -37.427 -7.651 1.00 0.00 H new ATOM 0 HD2 TYR A 398 3.189 -34.743 -4.571 1.00 0.00 H new ATOM 0 HE1 TYR A 398 3.816 -38.872 -7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 398 5.168 -36.190 -4.177 1.00 0.00 H new ATOM 0 HH TYR A 398 6.255 -38.048 -4.758 1.00 0.00 H new ATOM 387 N GLY A 399 0.186 -32.198 -7.778 1.00 0.00 N ATOM 388 CA GLY A 399 -0.864 -31.188 -7.835 1.00 0.00 C ATOM 389 C GLY A 399 -1.523 -31.013 -6.468 1.00 0.00 C ATOM 390 O GLY A 399 -1.329 -31.832 -5.567 1.00 0.00 O ATOM 0 H GLY A 399 1.118 -31.806 -7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.444 -30.238 -8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.614 -31.478 -8.571 1.00 0.00 H new ATOM 394 N GLU A 400 -2.313 -29.945 -6.310 1.00 0.00 N ATOM 395 CA GLU A 400 -3.026 -29.655 -5.077 1.00 0.00 C ATOM 396 C GLU A 400 -4.007 -30.790 -4.750 1.00 0.00 C ATOM 397 O GLU A 400 -4.348 -31.596 -5.615 1.00 0.00 O ATOM 398 CB GLU A 400 -3.739 -28.298 -5.192 1.00 0.00 C ATOM 399 CG GLU A 400 -2.758 -27.114 -5.297 1.00 0.00 C ATOM 400 CD GLU A 400 -2.352 -26.723 -6.717 1.00 0.00 C ATOM 401 OE1 GLU A 400 -2.515 -27.556 -7.633 1.00 0.00 O ATOM 402 OE2 GLU A 400 -1.892 -25.567 -6.867 1.00 0.00 O ATOM 0 H GLU A 400 -2.472 -29.256 -7.045 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.316 -29.590 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -4.386 -28.306 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.381 -28.156 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.209 -26.247 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -1.857 -27.359 -4.734 1.00 0.00 H new ATOM 409 N GLY A 401 -4.447 -30.865 -3.490 1.00 0.00 N ATOM 410 CA GLY A 401 -5.356 -31.907 -3.033 1.00 0.00 C ATOM 411 C GLY A 401 -4.637 -33.246 -2.875 1.00 0.00 C ATOM 412 O GLY A 401 -5.215 -34.303 -3.119 1.00 0.00 O ATOM 0 H GLY A 401 -4.180 -30.202 -2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.797 -31.615 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -6.175 -32.014 -3.744 1.00 0.00 H new ATOM 416 N ASN A 402 -3.370 -33.185 -2.454 1.00 0.00 N ATOM 417 CA ASN A 402 -2.497 -34.326 -2.209 1.00 0.00 C ATOM 418 C ASN A 402 -1.539 -33.956 -1.074 1.00 0.00 C ATOM 419 O ASN A 402 -0.407 -34.434 -1.038 1.00 0.00 O ATOM 420 CB ASN A 402 -1.702 -34.658 -3.485 1.00 0.00 C ATOM 421 CG ASN A 402 -2.585 -35.134 -4.635 1.00 0.00 C ATOM 422 OD1 ASN A 402 -2.944 -36.308 -4.701 1.00 0.00 O ATOM 423 ND2 ASN A 402 -2.920 -34.237 -5.559 1.00 0.00 N ATOM 0 H ASN A 402 -2.908 -32.295 -2.267 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.085 -35.201 -1.933 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -1.149 -33.774 -3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -0.966 -35.429 -3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -3.493 -34.515 -6.355 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -2.604 -33.271 -5.471 1.00 0.00 H new ATOM 430 N TRP A 403 -1.977 -33.086 -0.156 1.00 0.00 N ATOM 431 CA TRP A 403 -1.163 -32.595 0.947 1.00 0.00 C ATOM 432 C TRP A 403 -0.632 -33.751 1.791 1.00 0.00 C ATOM 433 O TRP A 403 0.562 -33.798 2.066 1.00 0.00 O ATOM 434 CB TRP A 403 -1.922 -31.535 1.752 1.00 0.00 C ATOM 435 CG TRP A 403 -2.753 -30.612 0.915 1.00 0.00 C ATOM 436 CD1 TRP A 403 -4.103 -30.622 0.824 1.00 0.00 C ATOM 437 CD2 TRP A 403 -2.303 -29.548 0.029 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.522 -29.645 -0.055 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.450 -28.951 -0.570 1.00 0.00 C ATOM 440 CE3 TRP A 403 -1.042 -29.028 -0.332 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -3.353 -27.892 -1.481 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.932 -27.963 -1.244 1.00 0.00 C ATOM 443 CH2 TRP A 403 -2.085 -27.399 -1.814 1.00 0.00 C ATOM 0 H TRP A 403 -2.922 -32.702 -0.164 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.282 -32.093 0.547 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.568 -32.035 2.473 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.205 -30.945 2.322 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.756 -31.295 1.360 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.497 -29.461 -0.292 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -0.148 -29.454 0.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -4.241 -27.462 -1.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.042 -27.578 -1.507 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.993 -26.581 -2.513 1.00 0.00 H new ATOM 454 N SER A 404 -1.504 -34.689 2.170 1.00 0.00 N ATOM 455 CA SER A 404 -1.160 -35.878 2.939 1.00 0.00 C ATOM 456 C SER A 404 0.016 -36.630 2.303 1.00 0.00 C ATOM 457 O SER A 404 0.998 -36.959 2.966 1.00 0.00 O ATOM 458 CB SER A 404 -2.392 -36.790 3.022 1.00 0.00 C ATOM 459 OG SER A 404 -2.859 -37.150 1.728 1.00 0.00 O ATOM 0 H SER A 404 -2.497 -34.636 1.941 1.00 0.00 H new ATOM 0 HA SER A 404 -0.853 -35.575 3.940 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.143 -37.690 3.584 1.00 0.00 H new ATOM 0 HB3 SER A 404 -3.186 -36.282 3.569 1.00 0.00 H new ATOM 0 HG SER A 404 -3.643 -37.732 1.813 1.00 0.00 H new ATOM 465 N LYS A 405 -0.094 -36.898 1.000 1.00 0.00 N ATOM 466 CA LYS A 405 0.911 -37.605 0.221 1.00 0.00 C ATOM 467 C LYS A 405 2.212 -36.804 0.231 1.00 0.00 C ATOM 468 O LYS A 405 3.269 -37.332 0.569 1.00 0.00 O ATOM 469 CB LYS A 405 0.402 -37.839 -1.210 1.00 0.00 C ATOM 470 CG LYS A 405 -0.972 -38.528 -1.237 1.00 0.00 C ATOM 471 CD LYS A 405 -1.470 -38.688 -2.677 1.00 0.00 C ATOM 472 CE LYS A 405 -2.967 -39.024 -2.694 1.00 0.00 C ATOM 473 NZ LYS A 405 -3.526 -38.944 -4.056 1.00 0.00 N ATOM 0 H LYS A 405 -0.906 -36.620 0.449 1.00 0.00 H new ATOM 0 HA LYS A 405 1.105 -38.582 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.337 -36.884 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 405 1.123 -38.450 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -0.903 -39.506 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -1.689 -37.942 -0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -1.291 -37.768 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -0.908 -39.477 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -3.120 -40.027 -2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -3.502 -38.336 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -4.560 -39.043 -4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -3.283 -38.025 -4.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -3.129 -39.708 -4.640 1.00 0.00 H new ATOM 487 N ILE A 406 2.128 -35.519 -0.129 1.00 0.00 N ATOM 488 CA ILE A 406 3.256 -34.599 -0.164 1.00 0.00 C ATOM 489 C ILE A 406 3.963 -34.572 1.202 1.00 0.00 C ATOM 490 O ILE A 406 5.189 -34.528 1.249 1.00 0.00 O ATOM 491 CB ILE A 406 2.773 -33.226 -0.676 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.373 -33.327 -2.161 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.871 -32.168 -0.543 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.554 -32.129 -2.658 1.00 0.00 C ATOM 0 H ILE A 406 1.249 -35.085 -0.410 1.00 0.00 H new ATOM 0 HA ILE A 406 4.018 -34.933 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 406 1.916 -32.932 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.275 -33.416 -2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.796 -34.239 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.501 -31.211 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 406 4.155 -32.068 0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.740 -32.470 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.308 -32.268 -3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.635 -32.051 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.137 -31.216 -2.539 1.00 0.00 H new ATOM 506 N LEU A 407 3.203 -34.626 2.303 1.00 0.00 N ATOM 507 CA LEU A 407 3.708 -34.654 3.673 1.00 0.00 C ATOM 508 C LEU A 407 4.480 -35.959 3.890 1.00 0.00 C ATOM 509 O LEU A 407 5.581 -35.951 4.436 1.00 0.00 O ATOM 510 CB LEU A 407 2.520 -34.528 4.649 1.00 0.00 C ATOM 511 CG LEU A 407 2.828 -34.058 6.082 1.00 0.00 C ATOM 512 CD1 LEU A 407 1.517 -34.080 6.880 1.00 0.00 C ATOM 513 CD2 LEU A 407 3.871 -34.907 6.816 1.00 0.00 C ATOM 0 H LEU A 407 2.184 -34.652 2.258 1.00 0.00 H new ATOM 0 HA LEU A 407 4.387 -33.821 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 407 1.799 -33.835 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 407 2.030 -35.500 4.711 1.00 0.00 H new ATOM 0 HG LEU A 407 3.255 -33.058 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 407 1.707 -33.751 7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 407 0.795 -33.411 6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 407 1.117 -35.094 6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 407 4.027 -34.506 7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 407 3.517 -35.936 6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 407 4.811 -34.884 6.265 1.00 0.00 H new ATOM 525 N LEU A 408 3.911 -37.092 3.457 1.00 0.00 N ATOM 526 CA LEU A 408 4.550 -38.391 3.607 1.00 0.00 C ATOM 527 C LEU A 408 5.899 -38.401 2.883 1.00 0.00 C ATOM 528 O LEU A 408 6.898 -38.850 3.444 1.00 0.00 O ATOM 529 CB LEU A 408 3.606 -39.498 3.114 1.00 0.00 C ATOM 530 CG LEU A 408 4.169 -40.921 3.274 1.00 0.00 C ATOM 531 CD1 LEU A 408 4.462 -41.272 4.737 1.00 0.00 C ATOM 532 CD2 LEU A 408 3.150 -41.919 2.710 1.00 0.00 C ATOM 0 H LEU A 408 3.001 -37.126 2.997 1.00 0.00 H new ATOM 0 HA LEU A 408 4.753 -38.585 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 408 2.665 -39.428 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 408 3.379 -39.325 2.062 1.00 0.00 H new ATOM 0 HG LEU A 408 5.113 -40.972 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 408 4.857 -42.286 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 408 5.195 -40.573 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 408 3.542 -41.207 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 408 3.536 -42.933 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 408 2.211 -41.829 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 408 2.977 -41.706 1.655 1.00 0.00 H new ATOM 544 N HIS A 409 5.930 -37.895 1.645 1.00 0.00 N ATOM 545 CA HIS A 409 7.144 -37.822 0.844 1.00 0.00 C ATOM 546 C HIS A 409 8.168 -36.886 1.492 1.00 0.00 C ATOM 547 O HIS A 409 9.309 -37.280 1.727 1.00 0.00 O ATOM 548 CB HIS A 409 6.812 -37.335 -0.575 1.00 0.00 C ATOM 549 CG HIS A 409 5.898 -38.246 -1.352 1.00 0.00 C ATOM 550 ND1 HIS A 409 6.216 -39.567 -1.632 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.664 -38.045 -1.922 1.00 0.00 C ATOM 552 CE1 HIS A 409 5.193 -40.083 -2.335 1.00 0.00 C ATOM 553 NE2 HIS A 409 4.213 -39.202 -2.547 1.00 0.00 N ATOM 0 H HIS A 409 5.105 -37.524 1.173 1.00 0.00 H new ATOM 0 HA HIS A 409 7.577 -38.821 0.787 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.351 -36.350 -0.508 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.742 -37.215 -1.131 1.00 0.00 H new ATOM 0 HD2 HIS A 409 4.118 -37.114 -1.889 1.00 0.00 H new ATOM 0 HE1 HIS A 409 5.167 -41.102 -2.691 1.00 0.00 H new ATOM 0 HE2 HIS A 409 3.337 -39.344 -3.050 1.00 0.00 H new ATOM 561 N TYR A 410 7.757 -35.642 1.758 1.00 0.00 N ATOM 562 CA TYR A 410 8.568 -34.586 2.333 1.00 0.00 C ATOM 563 C TYR A 410 8.075 -34.276 3.744 1.00 0.00 C ATOM 564 O TYR A 410 7.118 -33.528 3.928 1.00 0.00 O ATOM 565 CB TYR A 410 8.482 -33.371 1.406 1.00 0.00 C ATOM 566 CG TYR A 410 8.820 -33.694 -0.039 1.00 0.00 C ATOM 567 CD1 TYR A 410 10.123 -34.098 -0.386 1.00 0.00 C ATOM 568 CD2 TYR A 410 7.834 -33.592 -1.038 1.00 0.00 C ATOM 569 CE1 TYR A 410 10.436 -34.398 -1.723 1.00 0.00 C ATOM 570 CE2 TYR A 410 8.147 -33.892 -2.375 1.00 0.00 C ATOM 571 CZ TYR A 410 9.448 -34.294 -2.716 1.00 0.00 C ATOM 572 OH TYR A 410 9.751 -34.586 -4.016 1.00 0.00 O ATOM 0 H TYR A 410 6.802 -35.339 1.566 1.00 0.00 H new ATOM 0 HA TYR A 410 9.613 -34.885 2.420 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.475 -32.957 1.453 1.00 0.00 H new ATOM 0 HB3 TYR A 410 9.161 -32.598 1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.884 -34.178 0.377 1.00 0.00 H new ATOM 0 HD2 TYR A 410 6.833 -33.282 -0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 410 11.436 -34.708 -1.987 1.00 0.00 H new ATOM 0 HE2 TYR A 410 7.388 -33.813 -3.139 1.00 0.00 H new ATOM 0 HH TYR A 410 10.459 -35.263 -4.043 1.00 0.00 H new ATOM 582 N LYS A 411 8.736 -34.870 4.740 1.00 0.00 N ATOM 583 CA LYS A 411 8.413 -34.722 6.150 1.00 0.00 C ATOM 584 C LYS A 411 8.743 -33.312 6.651 1.00 0.00 C ATOM 585 O LYS A 411 9.840 -33.061 7.147 1.00 0.00 O ATOM 586 CB LYS A 411 9.156 -35.809 6.936 1.00 0.00 C ATOM 587 CG LYS A 411 8.642 -37.205 6.541 1.00 0.00 C ATOM 588 CD LYS A 411 9.319 -38.331 7.330 1.00 0.00 C ATOM 589 CE LYS A 411 10.810 -38.460 6.987 1.00 0.00 C ATOM 590 NZ LYS A 411 11.412 -39.652 7.611 1.00 0.00 N ATOM 0 H LYS A 411 9.534 -35.484 4.577 1.00 0.00 H new ATOM 0 HA LYS A 411 7.341 -34.849 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.226 -35.740 6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 411 9.016 -35.653 8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 411 7.565 -37.250 6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 411 8.811 -37.361 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 411 9.208 -38.143 8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 411 8.816 -39.275 7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 411 10.931 -38.515 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 411 11.339 -37.568 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 12.419 -39.706 7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 11.319 -39.587 8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 10.924 -40.505 7.272 1.00 0.00 H new ATOM 604 N PHE A 412 7.776 -32.400 6.517 1.00 0.00 N ATOM 605 CA PHE A 412 7.872 -31.003 6.922 1.00 0.00 C ATOM 606 C PHE A 412 7.894 -30.831 8.445 1.00 0.00 C ATOM 607 O PHE A 412 7.770 -31.802 9.192 1.00 0.00 O ATOM 608 CB PHE A 412 6.652 -30.264 6.368 1.00 0.00 C ATOM 609 CG PHE A 412 6.417 -30.400 4.883 1.00 0.00 C ATOM 610 CD1 PHE A 412 7.336 -29.835 3.990 1.00 0.00 C ATOM 611 CD2 PHE A 412 5.289 -31.076 4.393 1.00 0.00 C ATOM 612 CE1 PHE A 412 7.131 -29.935 2.606 1.00 0.00 C ATOM 613 CE2 PHE A 412 5.082 -31.179 3.007 1.00 0.00 C ATOM 614 CZ PHE A 412 6.000 -30.603 2.111 1.00 0.00 C ATOM 0 H PHE A 412 6.871 -32.628 6.107 1.00 0.00 H new ATOM 0 HA PHE A 412 8.808 -30.603 6.532 1.00 0.00 H new ATOM 0 HB2 PHE A 412 5.766 -30.623 6.891 1.00 0.00 H new ATOM 0 HB3 PHE A 412 6.755 -29.205 6.605 1.00 0.00 H new ATOM 0 HD1 PHE A 412 8.206 -29.320 4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 412 4.581 -31.516 5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 412 7.843 -29.498 1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 412 4.216 -31.702 2.629 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.836 -30.674 1.046 1.00 0.00 H new ATOM 624 N ASN A 413 8.022 -29.579 8.909 1.00 0.00 N ATOM 625 CA ASN A 413 8.021 -29.256 10.330 1.00 0.00 C ATOM 626 C ASN A 413 6.583 -29.305 10.847 1.00 0.00 C ATOM 627 O ASN A 413 5.951 -28.267 11.026 1.00 0.00 O ATOM 628 CB ASN A 413 8.645 -27.874 10.587 1.00 0.00 C ATOM 629 CG ASN A 413 10.156 -27.847 10.369 1.00 0.00 C ATOM 630 OD1 ASN A 413 10.874 -28.688 10.902 1.00 0.00 O ATOM 631 ND2 ASN A 413 10.660 -26.873 9.613 1.00 0.00 N ATOM 0 H ASN A 413 8.129 -28.766 8.303 1.00 0.00 H new ATOM 0 HA ASN A 413 8.627 -29.988 10.863 1.00 0.00 H new ATOM 0 HB2 ASN A 413 8.176 -27.143 9.929 1.00 0.00 H new ATOM 0 HB3 ASN A 413 8.426 -27.568 11.610 1.00 0.00 H new ATOM 0 HD21 ASN A 413 11.667 -26.812 9.464 1.00 0.00 H new ATOM 0 HD22 ASN A 413 10.039 -26.188 9.183 1.00 0.00 H new ATOM 638 N ASN A 414 6.081 -30.523 11.083 1.00 0.00 N ATOM 639 CA ASN A 414 4.741 -30.831 11.585 1.00 0.00 C ATOM 640 C ASN A 414 3.619 -30.083 10.851 1.00 0.00 C ATOM 641 O ASN A 414 2.615 -29.711 11.455 1.00 0.00 O ATOM 642 CB ASN A 414 4.675 -30.690 13.120 1.00 0.00 C ATOM 643 CG ASN A 414 4.901 -29.265 13.631 1.00 0.00 C ATOM 644 OD1 ASN A 414 3.965 -28.480 13.745 1.00 0.00 O ATOM 645 ND2 ASN A 414 6.149 -28.929 13.968 1.00 0.00 N ATOM 0 H ASN A 414 6.632 -31.366 10.919 1.00 0.00 H new ATOM 0 HA ASN A 414 4.552 -31.879 11.354 1.00 0.00 H new ATOM 0 HB2 ASN A 414 3.700 -31.037 13.464 1.00 0.00 H new ATOM 0 HB3 ASN A 414 5.422 -31.346 13.566 1.00 0.00 H new ATOM 0 HD21 ASN A 414 6.345 -27.997 14.332 1.00 0.00 H new ATOM 0 HD22 ASN A 414 6.906 -29.605 13.861 1.00 0.00 H new ATOM 652 N ARG A 415 3.776 -29.877 9.539 1.00 0.00 N ATOM 653 CA ARG A 415 2.787 -29.186 8.726 1.00 0.00 C ATOM 654 C ARG A 415 1.687 -30.164 8.325 1.00 0.00 C ATOM 655 O ARG A 415 1.919 -31.053 7.508 1.00 0.00 O ATOM 656 CB ARG A 415 3.427 -28.582 7.470 1.00 0.00 C ATOM 657 CG ARG A 415 4.692 -27.776 7.753 1.00 0.00 C ATOM 658 CD ARG A 415 4.484 -26.573 8.672 1.00 0.00 C ATOM 659 NE ARG A 415 5.737 -25.821 8.713 1.00 0.00 N ATOM 660 CZ ARG A 415 5.984 -24.731 9.445 1.00 0.00 C ATOM 661 NH1 ARG A 415 5.006 -24.098 10.106 1.00 0.00 N ATOM 662 NH2 ARG A 415 7.237 -24.275 9.512 1.00 0.00 N ATOM 0 H ARG A 415 4.595 -30.187 9.017 1.00 0.00 H new ATOM 0 HA ARG A 415 2.363 -28.373 9.315 1.00 0.00 H new ATOM 0 HB2 ARG A 415 3.667 -29.385 6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.699 -27.938 6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 415 5.435 -28.435 8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 415 5.105 -27.427 6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 415 3.673 -25.945 8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 415 4.202 -26.901 9.673 1.00 0.00 H new ATOM 0 HE ARG A 415 6.497 -26.162 8.125 1.00 0.00 H new ATOM 0 HH11 ARG A 415 4.049 -24.447 10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 415 5.219 -23.267 10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 415 7.983 -24.757 9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 415 7.449 -23.444 10.065 1.00 0.00 H new ATOM 676 N THR A 416 0.491 -29.998 8.889 1.00 0.00 N ATOM 677 CA THR A 416 -0.654 -30.839 8.577 1.00 0.00 C ATOM 678 C THR A 416 -1.175 -30.481 7.185 1.00 0.00 C ATOM 679 O THR A 416 -0.749 -29.487 6.597 1.00 0.00 O ATOM 680 CB THR A 416 -1.766 -30.581 9.605 1.00 0.00 C ATOM 681 OG1 THR A 416 -2.258 -29.262 9.439 1.00 0.00 O ATOM 682 CG2 THR A 416 -1.281 -30.783 11.046 1.00 0.00 C ATOM 0 H THR A 416 0.293 -29.272 9.578 1.00 0.00 H new ATOM 0 HA THR A 416 -0.357 -31.887 8.606 1.00 0.00 H new ATOM 0 HB THR A 416 -2.561 -31.305 9.429 1.00 0.00 H new ATOM 0 HG1 THR A 416 -2.851 -29.038 10.186 1.00 0.00 H new ATOM 0 HG21 THR A 416 -2.102 -30.589 11.737 1.00 0.00 H new ATOM 0 HG22 THR A 416 -0.934 -31.809 11.173 1.00 0.00 H new ATOM 0 HG23 THR A 416 -0.462 -30.095 11.254 1.00 0.00 H new ATOM 690 N SER A 417 -2.135 -31.260 6.671 1.00 0.00 N ATOM 691 CA SER A 417 -2.757 -30.961 5.390 1.00 0.00 C ATOM 692 C SER A 417 -3.367 -29.556 5.430 1.00 0.00 C ATOM 693 O SER A 417 -3.367 -28.861 4.418 1.00 0.00 O ATOM 694 CB SER A 417 -3.813 -32.014 5.051 1.00 0.00 C ATOM 695 OG SER A 417 -3.184 -33.255 4.812 1.00 0.00 O ATOM 0 H SER A 417 -2.492 -32.099 7.127 1.00 0.00 H new ATOM 0 HA SER A 417 -2.000 -30.987 4.606 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.525 -32.107 5.871 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.379 -31.706 4.172 1.00 0.00 H new ATOM 0 HG SER A 417 -3.862 -33.929 4.597 1.00 0.00 H new ATOM 701 N VAL A 418 -3.861 -29.128 6.602 1.00 0.00 N ATOM 702 CA VAL A 418 -4.431 -27.804 6.804 1.00 0.00 C ATOM 703 C VAL A 418 -3.340 -26.751 6.587 1.00 0.00 C ATOM 704 O VAL A 418 -3.534 -25.823 5.803 1.00 0.00 O ATOM 705 CB VAL A 418 -5.041 -27.679 8.214 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.611 -26.275 8.440 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.165 -28.691 8.459 1.00 0.00 C ATOM 0 H VAL A 418 -3.872 -29.706 7.442 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.234 -27.644 6.085 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.227 -27.879 8.911 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -6.036 -26.212 9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.815 -25.538 8.336 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.389 -26.075 7.703 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.560 -28.560 9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -6.963 -28.532 7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -5.774 -29.703 8.352 1.00 0.00 H new ATOM 717 N MET A 419 -2.201 -26.890 7.283 1.00 0.00 N ATOM 718 CA MET A 419 -1.110 -25.927 7.153 1.00 0.00 C ATOM 719 C MET A 419 -0.580 -25.881 5.716 1.00 0.00 C ATOM 720 O MET A 419 -0.376 -24.801 5.170 1.00 0.00 O ATOM 721 CB MET A 419 0.023 -26.198 8.154 1.00 0.00 C ATOM 722 CG MET A 419 -0.438 -26.374 9.607 1.00 0.00 C ATOM 723 SD MET A 419 -1.807 -25.327 10.172 1.00 0.00 S ATOM 724 CE MET A 419 -2.021 -25.998 11.839 1.00 0.00 C ATOM 0 H MET A 419 -2.018 -27.654 7.934 1.00 0.00 H new ATOM 0 HA MET A 419 -1.520 -24.946 7.393 1.00 0.00 H new ATOM 0 HB2 MET A 419 0.557 -27.097 7.844 1.00 0.00 H new ATOM 0 HB3 MET A 419 0.735 -25.373 8.110 1.00 0.00 H new ATOM 0 HG2 MET A 419 -0.729 -27.415 9.746 1.00 0.00 H new ATOM 0 HG3 MET A 419 0.417 -26.193 10.258 1.00 0.00 H new ATOM 0 HE1 MET A 419 -2.830 -25.469 12.343 1.00 0.00 H new ATOM 0 HE2 MET A 419 -2.265 -27.059 11.776 1.00 0.00 H new ATOM 0 HE3 MET A 419 -1.097 -25.871 12.404 1.00 0.00 H new ATOM 734 N LEU A 420 -0.366 -27.048 5.102 1.00 0.00 N ATOM 735 CA LEU A 420 0.122 -27.178 3.733 1.00 0.00 C ATOM 736 C LEU A 420 -0.819 -26.479 2.755 1.00 0.00 C ATOM 737 O LEU A 420 -0.382 -25.662 1.945 1.00 0.00 O ATOM 738 CB LEU A 420 0.258 -28.667 3.388 1.00 0.00 C ATOM 739 CG LEU A 420 1.493 -29.273 4.061 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.355 -30.790 4.200 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.739 -28.962 3.227 1.00 0.00 C ATOM 0 H LEU A 420 -0.532 -27.946 5.556 1.00 0.00 H new ATOM 0 HA LEU A 420 1.098 -26.699 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.636 -29.202 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.331 -28.789 2.307 1.00 0.00 H new ATOM 0 HG LEU A 420 1.585 -28.836 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 420 2.246 -31.194 4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.479 -31.022 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.242 -31.237 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.616 -29.394 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.625 -29.388 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.864 -27.882 3.148 1.00 0.00 H new ATOM 753 N LYS A 421 -2.111 -26.806 2.853 1.00 0.00 N ATOM 754 CA LYS A 421 -3.167 -26.234 2.038 1.00 0.00 C ATOM 755 C LYS A 421 -3.085 -24.709 2.103 1.00 0.00 C ATOM 756 O LYS A 421 -2.947 -24.050 1.072 1.00 0.00 O ATOM 757 CB LYS A 421 -4.516 -26.761 2.562 1.00 0.00 C ATOM 758 CG LYS A 421 -5.728 -26.086 1.916 1.00 0.00 C ATOM 759 CD LYS A 421 -7.023 -26.299 2.704 1.00 0.00 C ATOM 760 CE LYS A 421 -7.039 -25.494 4.015 1.00 0.00 C ATOM 761 NZ LYS A 421 -8.395 -25.432 4.588 1.00 0.00 N ATOM 0 H LYS A 421 -2.452 -27.496 3.522 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.062 -26.523 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.571 -27.835 2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.560 -26.613 3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -5.536 -25.017 1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.857 -26.473 0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -7.874 -26.007 2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -7.141 -27.359 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -6.359 -25.951 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -6.674 -24.484 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -8.374 -24.883 5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -9.037 -24.974 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -8.732 -26.395 4.787 1.00 0.00 H new ATOM 775 N ASP A 422 -3.179 -24.153 3.316 1.00 0.00 N ATOM 776 CA ASP A 422 -3.138 -22.717 3.539 1.00 0.00 C ATOM 777 C ASP A 422 -1.872 -22.088 2.958 1.00 0.00 C ATOM 778 O ASP A 422 -1.966 -21.158 2.157 1.00 0.00 O ATOM 779 CB ASP A 422 -3.244 -22.421 5.034 1.00 0.00 C ATOM 780 CG ASP A 422 -3.082 -20.926 5.265 1.00 0.00 C ATOM 781 OD1 ASP A 422 -4.113 -20.228 5.160 1.00 0.00 O ATOM 782 OD2 ASP A 422 -1.937 -20.516 5.550 1.00 0.00 O ATOM 0 H ASP A 422 -3.286 -24.697 4.172 1.00 0.00 H new ATOM 0 HA ASP A 422 -3.988 -22.272 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -4.208 -22.757 5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -2.477 -22.970 5.580 1.00 0.00 H new ATOM 787 N ARG A 423 -0.702 -22.597 3.365 1.00 0.00 N ATOM 788 CA ARG A 423 0.592 -22.103 2.917 1.00 0.00 C ATOM 789 C ARG A 423 0.600 -21.952 1.402 1.00 0.00 C ATOM 790 O ARG A 423 0.891 -20.871 0.893 1.00 0.00 O ATOM 791 CB ARG A 423 1.722 -23.040 3.384 1.00 0.00 C ATOM 792 CG ARG A 423 3.107 -22.679 2.814 1.00 0.00 C ATOM 793 CD ARG A 423 3.523 -21.257 3.202 1.00 0.00 C ATOM 794 NE ARG A 423 4.881 -20.912 2.747 1.00 0.00 N ATOM 795 CZ ARG A 423 5.291 -19.679 2.389 1.00 0.00 C ATOM 796 NH1 ARG A 423 4.444 -18.643 2.365 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.568 -19.463 2.054 1.00 0.00 N ATOM 0 H ARG A 423 -0.634 -23.373 4.023 1.00 0.00 H new ATOM 0 HA ARG A 423 0.765 -21.123 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 423 1.771 -23.019 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.476 -24.062 3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 423 3.848 -23.389 3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 423 3.089 -22.770 1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 423 2.812 -20.548 2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 423 3.471 -21.152 4.286 1.00 0.00 H new ATOM 0 HE ARG A 423 5.566 -21.667 2.699 1.00 0.00 H new ATOM 0 HH11 ARG A 423 3.466 -18.778 2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 423 4.777 -17.719 2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 423 7.236 -20.233 2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.873 -18.528 1.784 1.00 0.00 H new ATOM 811 N TRP A 424 0.279 -23.031 0.682 1.00 0.00 N ATOM 812 CA TRP A 424 0.275 -23.005 -0.763 1.00 0.00 C ATOM 813 C TRP A 424 -0.748 -22.021 -1.326 1.00 0.00 C ATOM 814 O TRP A 424 -0.451 -21.344 -2.303 1.00 0.00 O ATOM 815 CB TRP A 424 0.057 -24.404 -1.315 1.00 0.00 C ATOM 816 CG TRP A 424 0.298 -24.483 -2.785 1.00 0.00 C ATOM 817 CD1 TRP A 424 -0.658 -24.599 -3.727 1.00 0.00 C ATOM 818 CD2 TRP A 424 1.566 -24.444 -3.503 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.085 -24.651 -4.978 1.00 0.00 N ATOM 820 CE2 TRP A 424 1.292 -24.556 -4.899 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.920 -24.326 -3.120 1.00 0.00 C ATOM 822 CZ2 TRP A 424 2.311 -24.556 -5.862 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.948 -24.324 -4.079 1.00 0.00 C ATOM 824 CH2 TRP A 424 3.646 -24.441 -5.446 1.00 0.00 C ATOM 0 H TRP A 424 0.020 -23.930 1.088 1.00 0.00 H new ATOM 0 HA TRP A 424 1.253 -22.650 -1.086 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.721 -25.100 -0.803 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -0.964 -24.721 -1.100 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -1.719 -24.645 -3.530 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -0.608 -24.747 -5.849 1.00 0.00 H new ATOM 0 HE3 TRP A 424 3.170 -24.236 -2.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 2.071 -24.643 -6.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.977 -24.232 -3.763 1.00 0.00 H new ATOM 0 HH2 TRP A 424 4.441 -24.442 -6.177 1.00 0.00 H new ATOM 835 N ARG A 425 -1.944 -21.926 -0.734 1.00 0.00 N ATOM 836 CA ARG A 425 -2.965 -20.998 -1.210 1.00 0.00 C ATOM 837 C ARG A 425 -2.444 -19.564 -1.135 1.00 0.00 C ATOM 838 O ARG A 425 -2.561 -18.831 -2.114 1.00 0.00 O ATOM 839 CB ARG A 425 -4.270 -21.173 -0.432 1.00 0.00 C ATOM 840 CG ARG A 425 -4.928 -22.490 -0.859 1.00 0.00 C ATOM 841 CD ARG A 425 -5.905 -22.988 0.205 1.00 0.00 C ATOM 842 NE ARG A 425 -7.186 -22.276 0.190 1.00 0.00 N ATOM 843 CZ ARG A 425 -8.243 -22.670 -0.543 1.00 0.00 C ATOM 844 NH1 ARG A 425 -8.114 -23.637 -1.457 1.00 0.00 N ATOM 845 NH2 ARG A 425 -9.446 -22.118 -0.365 1.00 0.00 N ATOM 0 H ARG A 425 -2.224 -22.481 0.074 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.186 -21.221 -2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.072 -21.180 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -4.940 -20.336 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.455 -22.348 -1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -4.160 -23.244 -1.033 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -6.086 -24.052 0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -5.448 -22.880 1.188 1.00 0.00 H new ATOM 0 HE ARG A 425 -7.281 -21.439 0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -7.208 -24.083 -1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -8.921 -23.929 -2.008 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -9.573 -21.387 0.335 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -10.238 -22.428 -0.929 1.00 0.00 H new ATOM 859 N THR A 426 -1.856 -19.171 0.001 1.00 0.00 N ATOM 860 CA THR A 426 -1.288 -17.839 0.162 1.00 0.00 C ATOM 861 C THR A 426 -0.172 -17.651 -0.868 1.00 0.00 C ATOM 862 O THR A 426 -0.155 -16.672 -1.610 1.00 0.00 O ATOM 863 CB THR A 426 -0.769 -17.657 1.596 1.00 0.00 C ATOM 864 OG1 THR A 426 -1.807 -17.946 2.510 1.00 0.00 O ATOM 865 CG2 THR A 426 -0.292 -16.218 1.818 1.00 0.00 C ATOM 0 H THR A 426 -1.764 -19.766 0.825 1.00 0.00 H new ATOM 0 HA THR A 426 -2.052 -17.080 -0.007 1.00 0.00 H new ATOM 0 HB THR A 426 0.069 -18.336 1.752 1.00 0.00 H new ATOM 0 HG1 THR A 426 -1.477 -17.832 3.426 1.00 0.00 H new ATOM 0 HG21 THR A 426 0.072 -16.109 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 426 0.513 -15.990 1.120 1.00 0.00 H new ATOM 0 HG23 THR A 426 -1.121 -15.530 1.653 1.00 0.00 H new ATOM 873 N MET A 427 0.758 -18.608 -0.925 1.00 0.00 N ATOM 874 CA MET A 427 1.874 -18.607 -1.847 1.00 0.00 C ATOM 875 C MET A 427 1.409 -18.422 -3.299 1.00 0.00 C ATOM 876 O MET A 427 2.059 -17.729 -4.077 1.00 0.00 O ATOM 877 CB MET A 427 2.628 -19.932 -1.662 1.00 0.00 C ATOM 878 CG MET A 427 4.029 -19.841 -2.240 1.00 0.00 C ATOM 879 SD MET A 427 5.164 -18.840 -1.251 1.00 0.00 S ATOM 880 CE MET A 427 6.420 -18.626 -2.517 1.00 0.00 C ATOM 0 H MET A 427 0.746 -19.422 -0.311 1.00 0.00 H new ATOM 0 HA MET A 427 2.534 -17.766 -1.634 1.00 0.00 H new ATOM 0 HB2 MET A 427 2.683 -20.179 -0.602 1.00 0.00 H new ATOM 0 HB3 MET A 427 2.080 -20.738 -2.150 1.00 0.00 H new ATOM 0 HG2 MET A 427 4.438 -20.847 -2.338 1.00 0.00 H new ATOM 0 HG3 MET A 427 3.971 -19.422 -3.244 1.00 0.00 H new ATOM 0 HE1 MET A 427 7.238 -18.024 -2.120 1.00 0.00 H new ATOM 0 HE2 MET A 427 6.801 -19.601 -2.820 1.00 0.00 H new ATOM 0 HE3 MET A 427 5.985 -18.122 -3.380 1.00 0.00 H new ATOM 890 N LYS A 428 0.290 -19.051 -3.664 1.00 0.00 N ATOM 891 CA LYS A 428 -0.295 -19.024 -4.994 1.00 0.00 C ATOM 892 C LYS A 428 -1.041 -17.715 -5.258 1.00 0.00 C ATOM 893 O LYS A 428 -0.627 -16.936 -6.113 1.00 0.00 O ATOM 894 CB LYS A 428 -1.178 -20.273 -5.144 1.00 0.00 C ATOM 895 CG LYS A 428 -1.697 -20.512 -6.565 1.00 0.00 C ATOM 896 CD LYS A 428 -2.323 -21.913 -6.630 1.00 0.00 C ATOM 897 CE LYS A 428 -2.769 -22.265 -8.053 1.00 0.00 C ATOM 898 NZ LYS A 428 -3.290 -23.644 -8.134 1.00 0.00 N ATOM 0 H LYS A 428 -0.251 -19.615 -3.009 1.00 0.00 H new ATOM 0 HA LYS A 428 0.484 -19.053 -5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -0.608 -21.146 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -2.029 -20.185 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -2.435 -19.755 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -0.882 -20.428 -7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -1.601 -22.651 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -3.179 -21.961 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -3.539 -21.565 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -1.928 -22.153 -8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -3.503 -23.877 -9.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -2.577 -24.307 -7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -4.158 -23.721 -7.566 1.00 0.00 H new ATOM 912 N LYS A 429 -2.141 -17.472 -4.542 1.00 0.00 N ATOM 913 CA LYS A 429 -2.985 -16.292 -4.699 1.00 0.00 C ATOM 914 C LYS A 429 -2.463 -15.059 -3.947 1.00 0.00 C ATOM 915 O LYS A 429 -3.265 -14.264 -3.459 1.00 0.00 O ATOM 916 CB LYS A 429 -4.419 -16.648 -4.267 1.00 0.00 C ATOM 917 CG LYS A 429 -5.096 -17.701 -5.158 1.00 0.00 C ATOM 918 CD LYS A 429 -5.449 -17.125 -6.537 1.00 0.00 C ATOM 919 CE LYS A 429 -6.335 -18.094 -7.329 1.00 0.00 C ATOM 920 NZ LYS A 429 -6.749 -17.518 -8.622 1.00 0.00 N ATOM 0 H LYS A 429 -2.476 -18.109 -3.819 1.00 0.00 H new ATOM 0 HA LYS A 429 -2.969 -16.008 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -4.398 -17.014 -3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -5.024 -15.741 -4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -4.433 -18.558 -5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -6.001 -18.064 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -5.965 -16.172 -6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -4.535 -16.924 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -5.794 -19.025 -7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -7.219 -18.343 -6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -7.347 -18.200 -9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -7.286 -16.643 -8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -5.906 -17.304 -9.192 1.00 0.00 H new