USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 433 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 381 GLN : amide:sc= 0.0795 K(o=-0.14,f=-8.2!) USER MOD Set 1.2: A 413 ASN : amide:sc= -0.0309 K(o=-0.14,f=-5.7!) USER MOD Set 1.3: A 414 ASN : amide:sc= -0.187 K(o=-0.14,f=-2.7) USER MOD Set 2.1: A 393 SER OG : rot 175:sc= 0.927 USER MOD Set 2.2: A 397 LYS NZ :NH3+ 160:sc= 2.04 (180deg=-0.148) USER MOD Set 2.3: A 410 TYR OH : rot 150:sc= 0.852 USER MOD Set 3.1: A 398 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 405 LYS NZ :NH3+ -158:sc= 1.21 (180deg=-0.61) USER MOD Set 3.3: A 409 HIS : no HE2:sc= 0.764 K(o=2,f=-12!) USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 ASN : amide:sc= 0.772 K(o=0.77,f=0.066) USER MOD Single : A 402 ASN : amide:sc= 0.688 K(o=0.69,f=-1.7) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ -144:sc= 1.19 (180deg=0.259) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.296 USER MOD Single : A 417 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ -128:sc= 1.23 (180deg=0.115) USER MOD Single : A 426 THR OG1 : rot 71:sc= 0.295 USER MOD Single : A 427 MET CE :methyl -125:sc= -0.036 (180deg=-0.585) USER MOD Single : A 428 LYS NZ :NH3+ -153:sc= 0.555 (180deg=-0.464!) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.757 -20.451 13.827 1.00 0.00 N ATOM 72 CA GLN A 381 6.868 -20.810 12.963 1.00 0.00 C ATOM 73 C GLN A 381 6.479 -20.534 11.513 1.00 0.00 C ATOM 74 O GLN A 381 5.880 -21.384 10.850 1.00 0.00 O ATOM 75 CB GLN A 381 7.228 -22.287 13.167 1.00 0.00 C ATOM 76 CG GLN A 381 8.450 -22.675 12.322 1.00 0.00 C ATOM 77 CD GLN A 381 8.683 -24.179 12.343 1.00 0.00 C ATOM 78 OE1 GLN A 381 8.069 -24.909 11.568 1.00 0.00 O ATOM 79 NE2 GLN A 381 9.575 -24.647 13.217 1.00 0.00 N ATOM 0 HA GLN A 381 7.745 -20.212 13.211 1.00 0.00 H new ATOM 0 HB2 GLN A 381 7.436 -22.473 14.221 1.00 0.00 H new ATOM 0 HB3 GLN A 381 6.379 -22.913 12.894 1.00 0.00 H new ATOM 0 HG2 GLN A 381 8.305 -22.342 11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 381 9.334 -22.163 12.701 1.00 0.00 H new ATOM 0 HE21 GLN A 381 10.062 -24.005 13.842 1.00 0.00 H new ATOM 0 HE22 GLN A 381 9.770 -25.647 13.260 1.00 0.00 H new ATOM 88 N ALA A 382 6.845 -19.353 11.010 1.00 0.00 N ATOM 89 CA ALA A 382 6.575 -18.996 9.627 1.00 0.00 C ATOM 90 C ALA A 382 7.338 -19.946 8.703 1.00 0.00 C ATOM 91 O ALA A 382 8.366 -20.507 9.085 1.00 0.00 O ATOM 92 CB ALA A 382 6.957 -17.536 9.373 1.00 0.00 C ATOM 0 H ALA A 382 7.329 -18.632 11.545 1.00 0.00 H new ATOM 0 HA ALA A 382 5.509 -19.095 9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 382 6.750 -17.281 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 382 6.375 -16.888 10.028 1.00 0.00 H new ATOM 0 HB3 ALA A 382 8.019 -17.397 9.576 1.00 0.00 H new ATOM 98 N TRP A 383 6.824 -20.139 7.489 1.00 0.00 N ATOM 99 CA TRP A 383 7.434 -21.025 6.512 1.00 0.00 C ATOM 100 C TRP A 383 8.705 -20.402 5.939 1.00 0.00 C ATOM 101 O TRP A 383 8.895 -19.187 6.001 1.00 0.00 O ATOM 102 CB TRP A 383 6.419 -21.329 5.417 1.00 0.00 C ATOM 103 CG TRP A 383 5.310 -22.256 5.806 1.00 0.00 C ATOM 104 CD1 TRP A 383 4.325 -22.004 6.696 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.061 -23.601 5.311 1.00 0.00 C ATOM 106 NE1 TRP A 383 3.481 -23.091 6.787 1.00 0.00 N ATOM 107 CE2 TRP A 383 3.891 -24.106 5.947 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.703 -24.447 4.381 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.384 -25.383 5.671 1.00 0.00 C ATOM 110 CZ3 TRP A 383 5.206 -25.732 4.102 1.00 0.00 C ATOM 111 CH2 TRP A 383 4.049 -26.198 4.746 1.00 0.00 C ATOM 0 H TRP A 383 5.973 -19.683 7.160 1.00 0.00 H new ATOM 0 HA TRP A 383 7.724 -21.959 6.993 1.00 0.00 H new ATOM 0 HB2 TRP A 383 5.982 -20.389 5.080 1.00 0.00 H new ATOM 0 HB3 TRP A 383 6.947 -21.759 4.566 1.00 0.00 H new ATOM 0 HD1 TRP A 383 4.215 -21.086 7.254 1.00 0.00 H new ATOM 0 HE1 TRP A 383 2.663 -23.138 7.394 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.592 -24.101 3.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.491 -25.735 6.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.716 -26.363 3.389 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.671 -27.186 4.528 1.00 0.00 H new ATOM 122 N LEU A 384 9.581 -21.247 5.392 1.00 0.00 N ATOM 123 CA LEU A 384 10.851 -20.829 4.827 1.00 0.00 C ATOM 124 C LEU A 384 11.408 -21.862 3.868 1.00 0.00 C ATOM 125 O LEU A 384 10.969 -23.012 3.853 1.00 0.00 O ATOM 126 CB LEU A 384 11.859 -20.491 5.943 1.00 0.00 C ATOM 127 CG LEU A 384 12.450 -21.698 6.700 1.00 0.00 C ATOM 128 CD1 LEU A 384 13.476 -21.182 7.716 1.00 0.00 C ATOM 129 CD2 LEU A 384 11.397 -22.532 7.442 1.00 0.00 C ATOM 0 H LEU A 384 9.420 -22.252 5.332 1.00 0.00 H new ATOM 0 HA LEU A 384 10.674 -19.923 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.680 -19.923 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 384 11.368 -19.838 6.665 1.00 0.00 H new ATOM 0 HG LEU A 384 12.905 -22.352 5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 384 13.904 -22.024 8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 384 14.269 -20.647 7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 384 12.986 -20.508 8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 384 11.884 -23.363 7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 384 10.887 -21.906 8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 384 10.671 -22.920 6.728 1.00 0.00 H new ATOM 141 N TRP A 385 12.395 -21.414 3.086 1.00 0.00 N ATOM 142 CA TRP A 385 13.162 -22.114 2.121 1.00 0.00 C ATOM 143 C TRP A 385 12.873 -23.557 1.797 1.00 0.00 C ATOM 144 O TRP A 385 12.358 -23.866 0.732 1.00 0.00 O ATOM 145 CB TRP A 385 14.629 -21.952 2.537 1.00 0.00 C ATOM 146 CG TRP A 385 15.318 -21.663 1.294 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.222 -20.464 0.728 1.00 0.00 C ATOM 148 CD2 TRP A 385 16.113 -22.496 0.425 1.00 0.00 C ATOM 149 NE1 TRP A 385 15.907 -20.467 -0.441 1.00 0.00 N ATOM 150 CE2 TRP A 385 16.494 -21.704 -0.697 1.00 0.00 C ATOM 151 CE3 TRP A 385 16.533 -23.837 0.469 1.00 0.00 C ATOM 152 CZ2 TRP A 385 17.278 -22.238 -1.735 1.00 0.00 C ATOM 153 CZ3 TRP A 385 17.312 -24.383 -0.561 1.00 0.00 C ATOM 154 CH2 TRP A 385 17.688 -23.585 -1.662 1.00 0.00 C ATOM 0 H TRP A 385 12.687 -20.438 3.142 1.00 0.00 H new ATOM 0 HA TRP A 385 12.875 -21.654 1.175 1.00 0.00 H new ATOM 0 HB2 TRP A 385 14.752 -21.144 3.258 1.00 0.00 H new ATOM 0 HB3 TRP A 385 15.013 -22.858 3.005 1.00 0.00 H new ATOM 0 HD1 TRP A 385 14.683 -19.621 1.135 1.00 0.00 H new ATOM 0 HE1 TRP A 385 15.984 -19.660 -1.060 1.00 0.00 H new ATOM 0 HE3 TRP A 385 16.251 -24.456 1.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 17.562 -21.624 -2.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 17.625 -25.416 -0.511 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.292 -24.007 -2.452 1.00 0.00 H new ATOM 165 N GLU A 386 13.285 -24.428 2.702 1.00 0.00 N ATOM 166 CA GLU A 386 13.188 -25.856 2.478 1.00 0.00 C ATOM 167 C GLU A 386 11.731 -26.290 2.502 1.00 0.00 C ATOM 168 O GLU A 386 11.312 -27.033 1.619 1.00 0.00 O ATOM 169 CB GLU A 386 14.137 -26.622 3.409 1.00 0.00 C ATOM 170 CG GLU A 386 14.326 -28.090 2.988 1.00 0.00 C ATOM 171 CD GLU A 386 13.113 -28.979 3.272 1.00 0.00 C ATOM 172 OE1 GLU A 386 12.446 -28.722 4.296 1.00 0.00 O ATOM 173 OE2 GLU A 386 12.879 -29.908 2.466 1.00 0.00 O ATOM 0 H GLU A 386 13.691 -24.168 3.601 1.00 0.00 H new ATOM 0 HA GLU A 386 13.539 -26.114 1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 386 15.107 -26.124 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 386 13.747 -26.587 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 386 14.548 -28.126 1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 386 15.193 -28.498 3.508 1.00 0.00 H new ATOM 180 N GLU A 387 10.951 -25.810 3.475 1.00 0.00 N ATOM 181 CA GLU A 387 9.548 -26.173 3.535 1.00 0.00 C ATOM 182 C GLU A 387 8.838 -25.680 2.271 1.00 0.00 C ATOM 183 O GLU A 387 8.112 -26.440 1.633 1.00 0.00 O ATOM 184 CB GLU A 387 8.873 -25.657 4.814 1.00 0.00 C ATOM 185 CG GLU A 387 9.486 -26.198 6.112 1.00 0.00 C ATOM 186 CD GLU A 387 8.546 -25.966 7.294 1.00 0.00 C ATOM 187 OE1 GLU A 387 8.265 -24.784 7.594 1.00 0.00 O ATOM 188 OE2 GLU A 387 8.070 -26.973 7.868 1.00 0.00 O ATOM 0 H GLU A 387 11.267 -25.182 4.214 1.00 0.00 H new ATOM 0 HA GLU A 387 9.471 -27.260 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 387 8.927 -24.568 4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.816 -25.923 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.689 -27.264 6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.442 -25.708 6.300 1.00 0.00 H new ATOM 195 N ASP A 388 9.056 -24.414 1.899 1.00 0.00 N ATOM 196 CA ASP A 388 8.443 -23.820 0.715 1.00 0.00 C ATOM 197 C ASP A 388 8.857 -24.523 -0.578 1.00 0.00 C ATOM 198 O ASP A 388 8.007 -25.003 -1.323 1.00 0.00 O ATOM 199 CB ASP A 388 8.792 -22.327 0.643 1.00 0.00 C ATOM 200 CG ASP A 388 8.027 -21.504 1.667 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.854 -21.842 1.929 1.00 0.00 O ATOM 202 OD2 ASP A 388 8.583 -20.492 2.144 1.00 0.00 O ATOM 0 H ASP A 388 9.663 -23.776 2.413 1.00 0.00 H new ATOM 0 HA ASP A 388 7.364 -23.944 0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.862 -22.199 0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 388 8.573 -21.953 -0.357 1.00 0.00 H new ATOM 207 N LYS A 389 10.161 -24.567 -0.853 1.00 0.00 N ATOM 208 CA LYS A 389 10.752 -25.173 -2.040 1.00 0.00 C ATOM 209 C LYS A 389 10.304 -26.630 -2.183 1.00 0.00 C ATOM 210 O LYS A 389 9.853 -27.043 -3.254 1.00 0.00 O ATOM 211 CB LYS A 389 12.281 -25.038 -1.942 1.00 0.00 C ATOM 212 CG LYS A 389 13.034 -25.517 -3.187 1.00 0.00 C ATOM 213 CD LYS A 389 14.541 -25.346 -2.941 1.00 0.00 C ATOM 214 CE LYS A 389 15.397 -25.843 -4.112 1.00 0.00 C ATOM 215 NZ LYS A 389 15.224 -25.018 -5.323 1.00 0.00 N ATOM 0 H LYS A 389 10.860 -24.165 -0.228 1.00 0.00 H new ATOM 0 HA LYS A 389 10.413 -24.659 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.531 -23.993 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.630 -25.605 -1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 389 12.800 -26.561 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 389 12.725 -24.943 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 389 14.757 -24.293 -2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.820 -25.888 -2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 389 16.447 -25.838 -3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 389 15.134 -26.876 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 15.822 -25.393 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 14.228 -25.042 -5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 15.500 -24.037 -5.117 1.00 0.00 H new ATOM 229 N ASN A 390 10.426 -27.408 -1.104 1.00 0.00 N ATOM 230 CA ASN A 390 10.044 -28.810 -1.100 1.00 0.00 C ATOM 231 C ASN A 390 8.539 -28.951 -1.338 1.00 0.00 C ATOM 232 O ASN A 390 8.133 -29.770 -2.157 1.00 0.00 O ATOM 233 CB ASN A 390 10.524 -29.475 0.194 1.00 0.00 C ATOM 234 CG ASN A 390 10.485 -30.998 0.146 1.00 0.00 C ATOM 235 OD1 ASN A 390 9.921 -31.592 -0.768 1.00 0.00 O ATOM 236 ND2 ASN A 390 11.110 -31.638 1.133 1.00 0.00 N ATOM 0 H ASN A 390 10.793 -27.077 -0.212 1.00 0.00 H new ATOM 0 HA ASN A 390 10.532 -29.335 -1.921 1.00 0.00 H new ATOM 0 HB2 ASN A 390 11.544 -29.152 0.402 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.905 -29.130 1.022 1.00 0.00 H new ATOM 0 HD21 ASN A 390 11.131 -32.658 1.147 1.00 0.00 H new ATOM 0 HD22 ASN A 390 11.567 -31.108 1.875 1.00 0.00 H new ATOM 243 N LEU A 391 7.704 -28.149 -0.660 1.00 0.00 N ATOM 244 CA LEU A 391 6.256 -28.186 -0.846 1.00 0.00 C ATOM 245 C LEU A 391 5.908 -27.911 -2.310 1.00 0.00 C ATOM 246 O LEU A 391 5.113 -28.638 -2.903 1.00 0.00 O ATOM 247 CB LEU A 391 5.567 -27.179 0.087 1.00 0.00 C ATOM 248 CG LEU A 391 4.039 -27.144 -0.085 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.432 -28.525 0.170 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.430 -26.120 0.879 1.00 0.00 C ATOM 0 H LEU A 391 8.016 -27.463 0.027 1.00 0.00 H new ATOM 0 HA LEU A 391 5.891 -29.181 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.804 -27.429 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 391 5.971 -26.184 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 391 3.814 -26.853 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.351 -28.476 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.849 -29.242 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.664 -28.842 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.348 -26.100 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.670 -26.399 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 391 3.839 -25.132 0.666 1.00 0.00 H new ATOM 262 N ARG A 392 6.514 -26.869 -2.892 1.00 0.00 N ATOM 263 CA ARG A 392 6.316 -26.480 -4.280 1.00 0.00 C ATOM 264 C ARG A 392 6.587 -27.688 -5.178 1.00 0.00 C ATOM 265 O ARG A 392 5.779 -28.013 -6.050 1.00 0.00 O ATOM 266 CB ARG A 392 7.241 -25.300 -4.611 1.00 0.00 C ATOM 267 CG ARG A 392 6.807 -24.570 -5.885 1.00 0.00 C ATOM 268 CD ARG A 392 7.825 -23.475 -6.236 1.00 0.00 C ATOM 269 NE ARG A 392 7.195 -22.356 -6.952 1.00 0.00 N ATOM 270 CZ ARG A 392 6.549 -21.335 -6.359 1.00 0.00 C ATOM 271 NH1 ARG A 392 6.406 -21.301 -5.028 1.00 0.00 N ATOM 272 NH2 ARG A 392 6.045 -20.342 -7.102 1.00 0.00 N ATOM 0 H ARG A 392 7.168 -26.265 -2.395 1.00 0.00 H new ATOM 0 HA ARG A 392 5.289 -26.156 -4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 392 7.247 -24.599 -3.776 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.262 -25.662 -4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 392 6.724 -25.278 -6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 392 5.820 -24.129 -5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 392 8.292 -23.106 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 392 8.619 -23.900 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 392 7.252 -22.353 -7.970 1.00 0.00 H new ATOM 0 HH11 ARG A 392 6.788 -22.053 -4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 392 5.915 -20.523 -4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 392 6.151 -20.360 -8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 392 5.555 -19.568 -6.654 1.00 0.00 H new ATOM 286 N SER A 393 7.719 -28.367 -4.942 1.00 0.00 N ATOM 287 CA SER A 393 8.078 -29.561 -5.692 1.00 0.00 C ATOM 288 C SER A 393 6.993 -30.623 -5.499 1.00 0.00 C ATOM 289 O SER A 393 6.536 -31.207 -6.473 1.00 0.00 O ATOM 290 CB SER A 393 9.458 -30.080 -5.270 1.00 0.00 C ATOM 291 OG SER A 393 9.907 -31.043 -6.205 1.00 0.00 O ATOM 0 H SER A 393 8.400 -28.101 -4.231 1.00 0.00 H new ATOM 0 HA SER A 393 8.143 -29.316 -6.752 1.00 0.00 H new ATOM 0 HB2 SER A 393 10.167 -29.254 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.403 -30.522 -4.275 1.00 0.00 H new ATOM 0 HG SER A 393 10.822 -31.315 -5.981 1.00 0.00 H new ATOM 297 N GLY A 394 6.573 -30.858 -4.251 1.00 0.00 N ATOM 298 CA GLY A 394 5.540 -31.813 -3.883 1.00 0.00 C ATOM 299 C GLY A 394 4.276 -31.616 -4.716 1.00 0.00 C ATOM 300 O GLY A 394 3.773 -32.571 -5.305 1.00 0.00 O ATOM 0 H GLY A 394 6.962 -30.367 -3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 394 5.914 -32.827 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.301 -31.703 -2.825 1.00 0.00 H new ATOM 304 N VAL A 395 3.769 -30.379 -4.779 1.00 0.00 N ATOM 305 CA VAL A 395 2.583 -30.060 -5.561 1.00 0.00 C ATOM 306 C VAL A 395 2.849 -30.342 -7.039 1.00 0.00 C ATOM 307 O VAL A 395 2.011 -30.930 -7.713 1.00 0.00 O ATOM 308 CB VAL A 395 2.141 -28.605 -5.326 1.00 0.00 C ATOM 309 CG1 VAL A 395 0.953 -28.252 -6.232 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.700 -28.422 -3.872 1.00 0.00 C ATOM 0 H VAL A 395 4.171 -29.579 -4.290 1.00 0.00 H new ATOM 0 HA VAL A 395 1.760 -30.696 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 395 2.986 -27.955 -5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.653 -27.219 -6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.244 -28.370 -7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.117 -28.916 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.389 -27.390 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 395 0.865 -29.090 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.532 -28.656 -3.207 1.00 0.00 H new ATOM 320 N ARG A 396 4.012 -29.937 -7.557 1.00 0.00 N ATOM 321 CA ARG A 396 4.348 -30.180 -8.953 1.00 0.00 C ATOM 322 C ARG A 396 4.444 -31.684 -9.260 1.00 0.00 C ATOM 323 O ARG A 396 4.135 -32.103 -10.373 1.00 0.00 O ATOM 324 CB ARG A 396 5.645 -29.431 -9.296 1.00 0.00 C ATOM 325 CG ARG A 396 6.038 -29.489 -10.782 1.00 0.00 C ATOM 326 CD ARG A 396 4.927 -29.050 -11.746 1.00 0.00 C ATOM 327 NE ARG A 396 4.366 -27.741 -11.379 1.00 0.00 N ATOM 328 CZ ARG A 396 3.249 -27.209 -11.907 1.00 0.00 C ATOM 329 NH1 ARG A 396 2.583 -27.852 -12.876 1.00 0.00 N ATOM 330 NH2 ARG A 396 2.800 -26.027 -11.463 1.00 0.00 N ATOM 0 H ARG A 396 4.731 -29.442 -7.029 1.00 0.00 H new ATOM 0 HA ARG A 396 3.548 -29.797 -9.587 1.00 0.00 H new ATOM 0 HB2 ARG A 396 5.536 -28.387 -9.002 1.00 0.00 H new ATOM 0 HB3 ARG A 396 6.458 -29.846 -8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 396 6.911 -28.856 -10.940 1.00 0.00 H new ATOM 0 HG3 ARG A 396 6.335 -30.509 -11.028 1.00 0.00 H new ATOM 0 HD2 ARG A 396 5.324 -29.003 -12.760 1.00 0.00 H new ATOM 0 HD3 ARG A 396 4.133 -29.797 -11.749 1.00 0.00 H new ATOM 0 HE ARG A 396 4.860 -27.197 -10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 396 2.922 -28.751 -13.218 1.00 0.00 H new ATOM 0 HH12 ARG A 396 1.737 -27.442 -13.272 1.00 0.00 H new ATOM 0 HH21 ARG A 396 3.305 -25.534 -10.727 1.00 0.00 H new ATOM 0 HH22 ARG A 396 1.953 -25.621 -11.861 1.00 0.00 H new ATOM 344 N LYS A 397 4.877 -32.490 -8.285 1.00 0.00 N ATOM 345 CA LYS A 397 5.058 -33.930 -8.409 1.00 0.00 C ATOM 346 C LYS A 397 3.748 -34.719 -8.338 1.00 0.00 C ATOM 347 O LYS A 397 3.487 -35.541 -9.214 1.00 0.00 O ATOM 348 CB LYS A 397 5.999 -34.426 -7.298 1.00 0.00 C ATOM 349 CG LYS A 397 7.420 -33.852 -7.397 1.00 0.00 C ATOM 350 CD LYS A 397 8.418 -34.895 -7.912 1.00 0.00 C ATOM 351 CE LYS A 397 9.827 -34.307 -8.063 1.00 0.00 C ATOM 352 NZ LYS A 397 10.350 -33.762 -6.794 1.00 0.00 N ATOM 0 H LYS A 397 5.118 -32.140 -7.358 1.00 0.00 H new ATOM 0 HA LYS A 397 5.484 -34.104 -9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 397 5.576 -34.161 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 397 6.052 -35.514 -7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 397 7.418 -32.990 -8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 397 7.738 -33.497 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 397 8.448 -35.740 -7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 397 8.079 -35.279 -8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 397 10.503 -35.080 -8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 397 9.809 -33.517 -8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 11.386 -33.691 -6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 9.947 -32.818 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 10.086 -34.393 -6.010 1.00 0.00 H new ATOM 366 N TYR A 398 2.955 -34.512 -7.277 1.00 0.00 N ATOM 367 CA TYR A 398 1.729 -35.267 -7.016 1.00 0.00 C ATOM 368 C TYR A 398 0.426 -34.484 -7.203 1.00 0.00 C ATOM 369 O TYR A 398 -0.649 -35.047 -6.993 1.00 0.00 O ATOM 370 CB TYR A 398 1.838 -35.862 -5.604 1.00 0.00 C ATOM 371 CG TYR A 398 3.188 -36.499 -5.318 1.00 0.00 C ATOM 372 CD1 TYR A 398 3.622 -37.605 -6.072 1.00 0.00 C ATOM 373 CD2 TYR A 398 4.018 -35.980 -4.308 1.00 0.00 C ATOM 374 CE1 TYR A 398 4.876 -38.187 -5.816 1.00 0.00 C ATOM 375 CE2 TYR A 398 5.271 -36.560 -4.052 1.00 0.00 C ATOM 376 CZ TYR A 398 5.703 -37.663 -4.806 1.00 0.00 C ATOM 377 OH TYR A 398 6.920 -38.221 -4.552 1.00 0.00 O ATOM 0 H TYR A 398 3.153 -33.805 -6.569 1.00 0.00 H new ATOM 0 HA TYR A 398 1.658 -36.049 -7.772 1.00 0.00 H new ATOM 0 HB2 TYR A 398 1.653 -35.076 -4.872 1.00 0.00 H new ATOM 0 HB3 TYR A 398 1.057 -36.610 -5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 398 2.990 -38.008 -6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 398 3.690 -35.131 -3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 398 5.205 -39.037 -6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 398 5.903 -36.157 -3.274 1.00 0.00 H new ATOM 0 HH TYR A 398 7.358 -37.733 -3.823 1.00 0.00 H new ATOM 387 N GLY A 399 0.495 -33.210 -7.603 1.00 0.00 N ATOM 388 CA GLY A 399 -0.674 -32.370 -7.828 1.00 0.00 C ATOM 389 C GLY A 399 -1.229 -31.785 -6.529 1.00 0.00 C ATOM 390 O GLY A 399 -0.884 -32.229 -5.433 1.00 0.00 O ATOM 0 H GLY A 399 1.378 -32.732 -7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.410 -31.558 -8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.450 -32.956 -8.320 1.00 0.00 H new ATOM 394 N GLU A 400 -2.104 -30.780 -6.662 1.00 0.00 N ATOM 395 CA GLU A 400 -2.752 -30.135 -5.528 1.00 0.00 C ATOM 396 C GLU A 400 -3.822 -31.093 -4.990 1.00 0.00 C ATOM 397 O GLU A 400 -4.355 -31.910 -5.741 1.00 0.00 O ATOM 398 CB GLU A 400 -3.332 -28.776 -5.958 1.00 0.00 C ATOM 399 CG GLU A 400 -3.737 -27.928 -4.743 1.00 0.00 C ATOM 400 CD GLU A 400 -4.217 -26.527 -5.100 1.00 0.00 C ATOM 401 OE1 GLU A 400 -3.685 -25.936 -6.067 1.00 0.00 O ATOM 402 OE2 GLU A 400 -5.079 -26.007 -4.354 1.00 0.00 O ATOM 0 H GLU A 400 -2.379 -30.395 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.040 -29.927 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.594 -28.235 -6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.200 -28.935 -6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.528 -28.445 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.885 -27.848 -4.068 1.00 0.00 H new ATOM 409 N GLY A 401 -4.130 -31.009 -3.693 1.00 0.00 N ATOM 410 CA GLY A 401 -5.115 -31.885 -3.074 1.00 0.00 C ATOM 411 C GLY A 401 -4.595 -33.314 -2.998 1.00 0.00 C ATOM 412 O GLY A 401 -5.319 -34.264 -3.281 1.00 0.00 O ATOM 0 H GLY A 401 -3.706 -30.338 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.350 -31.525 -2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -6.042 -31.860 -3.647 1.00 0.00 H new ATOM 416 N ASN A 402 -3.325 -33.446 -2.603 1.00 0.00 N ATOM 417 CA ASN A 402 -2.639 -34.719 -2.451 1.00 0.00 C ATOM 418 C ASN A 402 -1.593 -34.555 -1.346 1.00 0.00 C ATOM 419 O ASN A 402 -0.469 -35.054 -1.441 1.00 0.00 O ATOM 420 CB ASN A 402 -2.029 -35.113 -3.804 1.00 0.00 C ATOM 421 CG ASN A 402 -1.826 -36.615 -3.953 1.00 0.00 C ATOM 422 OD1 ASN A 402 -1.898 -37.373 -2.988 1.00 0.00 O ATOM 423 ND2 ASN A 402 -1.595 -37.059 -5.188 1.00 0.00 N ATOM 0 H ASN A 402 -2.736 -32.645 -2.376 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.314 -35.524 -2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -2.678 -34.759 -4.605 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -1.070 -34.609 -3.924 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -1.471 -38.057 -5.356 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -1.542 -36.400 -5.965 1.00 0.00 H new ATOM 430 N TRP A 403 -1.984 -33.824 -0.294 1.00 0.00 N ATOM 431 CA TRP A 403 -1.147 -33.508 0.852 1.00 0.00 C ATOM 432 C TRP A 403 -0.726 -34.778 1.574 1.00 0.00 C ATOM 433 O TRP A 403 0.365 -34.813 2.134 1.00 0.00 O ATOM 434 CB TRP A 403 -1.810 -32.452 1.742 1.00 0.00 C ATOM 435 CG TRP A 403 -2.477 -31.383 0.940 1.00 0.00 C ATOM 436 CD1 TRP A 403 -3.808 -31.193 0.821 1.00 0.00 C ATOM 437 CD2 TRP A 403 -1.854 -30.367 0.109 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.059 -30.138 -0.029 1.00 0.00 N ATOM 439 CE2 TRP A 403 -2.882 -29.590 -0.497 1.00 0.00 C ATOM 440 CE3 TRP A 403 -0.520 -30.027 -0.199 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -2.604 -28.531 -1.368 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.230 -28.964 -1.070 1.00 0.00 C ATOM 443 CH2 TRP A 403 -1.267 -28.222 -1.654 1.00 0.00 C ATOM 0 H TRP A 403 -2.921 -33.428 -0.223 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.219 -33.047 0.513 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.545 -32.932 2.388 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.059 -32.002 2.392 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.565 -31.781 1.319 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -4.991 -29.806 -0.279 1.00 0.00 H new ATOM 0 HE3 TRP A 403 0.289 -30.592 0.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -3.406 -27.961 -1.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.798 -28.717 -1.291 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.035 -27.410 -2.327 1.00 0.00 H new ATOM 454 N SER A 404 -1.554 -35.829 1.531 1.00 0.00 N ATOM 455 CA SER A 404 -1.220 -37.113 2.127 1.00 0.00 C ATOM 456 C SER A 404 0.102 -37.620 1.536 1.00 0.00 C ATOM 457 O SER A 404 1.064 -37.852 2.266 1.00 0.00 O ATOM 458 CB SER A 404 -2.344 -38.123 1.865 1.00 0.00 C ATOM 459 OG SER A 404 -3.575 -37.638 2.348 1.00 0.00 O ATOM 0 H SER A 404 -2.470 -35.806 1.082 1.00 0.00 H new ATOM 0 HA SER A 404 -1.107 -36.995 3.205 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.420 -38.320 0.796 1.00 0.00 H new ATOM 0 HB3 SER A 404 -2.107 -39.071 2.348 1.00 0.00 H new ATOM 0 HG SER A 404 -4.279 -38.296 2.169 1.00 0.00 H new ATOM 465 N LYS A 405 0.155 -37.784 0.207 1.00 0.00 N ATOM 466 CA LYS A 405 1.351 -38.254 -0.478 1.00 0.00 C ATOM 467 C LYS A 405 2.505 -37.279 -0.274 1.00 0.00 C ATOM 468 O LYS A 405 3.596 -37.709 0.095 1.00 0.00 O ATOM 469 CB LYS A 405 1.082 -38.487 -1.968 1.00 0.00 C ATOM 470 CG LYS A 405 0.191 -39.720 -2.175 1.00 0.00 C ATOM 471 CD LYS A 405 -0.036 -40.043 -3.659 1.00 0.00 C ATOM 472 CE LYS A 405 1.019 -40.963 -4.290 1.00 0.00 C ATOM 473 NZ LYS A 405 2.347 -40.334 -4.407 1.00 0.00 N ATOM 0 H LYS A 405 -0.631 -37.593 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 405 1.635 -39.212 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.600 -37.608 -2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 405 2.026 -38.622 -2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 405 0.648 -40.580 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -0.772 -39.553 -1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -1.015 -40.509 -3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -0.063 -39.108 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 405 1.106 -41.869 -3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 405 0.680 -41.267 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 2.898 -40.820 -5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 2.235 -39.332 -4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 2.846 -40.406 -3.498 1.00 0.00 H new ATOM 487 N ILE A 406 2.272 -35.981 -0.510 1.00 0.00 N ATOM 488 CA ILE A 406 3.300 -34.958 -0.345 1.00 0.00 C ATOM 489 C ILE A 406 3.969 -35.107 1.025 1.00 0.00 C ATOM 490 O ILE A 406 5.188 -35.206 1.091 1.00 0.00 O ATOM 491 CB ILE A 406 2.709 -33.552 -0.568 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.328 -33.370 -2.049 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.704 -32.460 -0.151 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.393 -32.186 -2.311 1.00 0.00 C ATOM 0 H ILE A 406 1.370 -35.618 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 406 4.073 -35.093 -1.101 1.00 0.00 H new ATOM 0 HB ILE A 406 1.817 -33.458 0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.238 -33.237 -2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.850 -34.283 -2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.260 -31.479 -0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 406 3.945 -32.572 0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.615 -32.552 -0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.172 -32.126 -3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.466 -32.325 -1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 406 1.875 -31.263 -1.988 1.00 0.00 H new ATOM 506 N LEU A 407 3.175 -35.138 2.101 1.00 0.00 N ATOM 507 CA LEU A 407 3.637 -35.279 3.476 1.00 0.00 C ATOM 508 C LEU A 407 4.377 -36.600 3.698 1.00 0.00 C ATOM 509 O LEU A 407 5.385 -36.633 4.403 1.00 0.00 O ATOM 510 CB LEU A 407 2.431 -35.148 4.418 1.00 0.00 C ATOM 511 CG LEU A 407 2.764 -35.244 5.918 1.00 0.00 C ATOM 512 CD1 LEU A 407 3.814 -34.216 6.357 1.00 0.00 C ATOM 513 CD2 LEU A 407 1.477 -35.016 6.719 1.00 0.00 C ATOM 0 H LEU A 407 2.160 -35.063 2.030 1.00 0.00 H new ATOM 0 HA LEU A 407 4.355 -34.488 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 407 1.944 -34.191 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 407 1.710 -35.927 4.171 1.00 0.00 H new ATOM 0 HG LEU A 407 3.181 -36.234 6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 407 4.010 -34.329 7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 407 4.736 -34.377 5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 407 3.443 -33.210 6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 407 1.696 -35.081 7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 407 1.076 -34.029 6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 407 0.743 -35.776 6.452 1.00 0.00 H new ATOM 525 N LEU A 408 3.886 -37.700 3.114 1.00 0.00 N ATOM 526 CA LEU A 408 4.520 -39.000 3.275 1.00 0.00 C ATOM 527 C LEU A 408 5.921 -38.997 2.664 1.00 0.00 C ATOM 528 O LEU A 408 6.892 -39.295 3.361 1.00 0.00 O ATOM 529 CB LEU A 408 3.651 -40.112 2.666 1.00 0.00 C ATOM 530 CG LEU A 408 2.428 -40.461 3.532 1.00 0.00 C ATOM 531 CD1 LEU A 408 1.382 -41.194 2.685 1.00 0.00 C ATOM 532 CD2 LEU A 408 2.816 -41.357 4.716 1.00 0.00 C ATOM 0 H LEU A 408 3.052 -37.708 2.527 1.00 0.00 H new ATOM 0 HA LEU A 408 4.619 -39.202 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 408 3.313 -39.801 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 408 4.259 -41.006 2.528 1.00 0.00 H new ATOM 0 HG LEU A 408 2.020 -39.527 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 408 0.519 -41.438 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 408 1.068 -40.554 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 408 1.814 -42.112 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 408 1.928 -41.584 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 408 3.251 -42.284 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 408 3.545 -40.840 5.340 1.00 0.00 H new ATOM 544 N HIS A 409 6.020 -38.670 1.373 1.00 0.00 N ATOM 545 CA HIS A 409 7.276 -38.649 0.636 1.00 0.00 C ATOM 546 C HIS A 409 8.232 -37.568 1.146 1.00 0.00 C ATOM 547 O HIS A 409 9.391 -37.858 1.438 1.00 0.00 O ATOM 548 CB HIS A 409 6.991 -38.456 -0.859 1.00 0.00 C ATOM 549 CG HIS A 409 6.042 -39.478 -1.432 1.00 0.00 C ATOM 550 ND1 HIS A 409 6.292 -40.841 -1.404 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.827 -39.351 -2.057 1.00 0.00 C ATOM 552 CE1 HIS A 409 5.250 -41.450 -1.994 1.00 0.00 C ATOM 553 NE2 HIS A 409 4.316 -40.594 -2.417 1.00 0.00 N ATOM 0 H HIS A 409 5.214 -38.409 0.806 1.00 0.00 H new ATOM 0 HA HIS A 409 7.772 -39.607 0.794 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.576 -37.460 -1.015 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.932 -38.499 -1.408 1.00 0.00 H new ATOM 0 HD1 HIS A 409 7.114 -41.297 -1.009 1.00 0.00 H new ATOM 0 HD2 HIS A 409 4.332 -38.410 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 409 5.175 -42.521 -2.114 1.00 0.00 H new ATOM 561 N TYR A 410 7.747 -36.328 1.234 1.00 0.00 N ATOM 562 CA TYR A 410 8.497 -35.160 1.662 1.00 0.00 C ATOM 563 C TYR A 410 7.973 -34.681 3.012 1.00 0.00 C ATOM 564 O TYR A 410 6.847 -34.201 3.109 1.00 0.00 O ATOM 565 CB TYR A 410 8.349 -34.067 0.597 1.00 0.00 C ATOM 566 CG TYR A 410 8.795 -34.477 -0.797 1.00 0.00 C ATOM 567 CD1 TYR A 410 10.067 -35.048 -0.993 1.00 0.00 C ATOM 568 CD2 TYR A 410 7.941 -34.291 -1.902 1.00 0.00 C ATOM 569 CE1 TYR A 410 10.481 -35.431 -2.279 1.00 0.00 C ATOM 570 CE2 TYR A 410 8.357 -34.673 -3.191 1.00 0.00 C ATOM 571 CZ TYR A 410 9.626 -35.245 -3.377 1.00 0.00 C ATOM 572 OH TYR A 410 10.034 -35.619 -4.626 1.00 0.00 O ATOM 0 H TYR A 410 6.779 -36.108 0.998 1.00 0.00 H new ATOM 0 HA TYR A 410 9.553 -35.406 1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.304 -33.759 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 410 8.926 -33.196 0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.727 -35.192 -0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 410 6.964 -33.854 -1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 410 11.458 -35.869 -2.424 1.00 0.00 H new ATOM 0 HE2 TYR A 410 7.701 -34.526 -4.036 1.00 0.00 H new ATOM 0 HH TYR A 410 9.255 -35.880 -5.160 1.00 0.00 H new ATOM 582 N LYS A 411 8.790 -34.812 4.059 1.00 0.00 N ATOM 583 CA LYS A 411 8.412 -34.392 5.398 1.00 0.00 C ATOM 584 C LYS A 411 8.789 -32.926 5.619 1.00 0.00 C ATOM 585 O LYS A 411 9.577 -32.361 4.863 1.00 0.00 O ATOM 586 CB LYS A 411 9.006 -35.351 6.436 1.00 0.00 C ATOM 587 CG LYS A 411 8.614 -36.788 6.059 1.00 0.00 C ATOM 588 CD LYS A 411 8.595 -37.722 7.274 1.00 0.00 C ATOM 589 CE LYS A 411 8.264 -39.166 6.871 1.00 0.00 C ATOM 590 NZ LYS A 411 6.997 -39.275 6.120 1.00 0.00 N ATOM 0 H LYS A 411 9.727 -35.211 3.997 1.00 0.00 H new ATOM 0 HA LYS A 411 7.330 -34.445 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.091 -35.251 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 411 8.636 -35.107 7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 411 7.629 -36.783 5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 411 9.316 -37.172 5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 411 9.565 -37.695 7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 411 7.859 -37.367 7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 411 9.077 -39.564 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 411 8.204 -39.784 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 6.513 -40.158 6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 6.387 -38.464 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 7.198 -39.280 5.100 1.00 0.00 H new ATOM 604 N PHE A 412 8.198 -32.321 6.652 1.00 0.00 N ATOM 605 CA PHE A 412 8.382 -30.924 7.023 1.00 0.00 C ATOM 606 C PHE A 412 8.535 -30.832 8.545 1.00 0.00 C ATOM 607 O PHE A 412 8.686 -31.863 9.200 1.00 0.00 O ATOM 608 CB PHE A 412 7.158 -30.140 6.536 1.00 0.00 C ATOM 609 CG PHE A 412 6.832 -30.297 5.064 1.00 0.00 C ATOM 610 CD1 PHE A 412 7.421 -29.434 4.124 1.00 0.00 C ATOM 611 CD2 PHE A 412 5.945 -31.298 4.627 1.00 0.00 C ATOM 612 CE1 PHE A 412 7.128 -29.567 2.757 1.00 0.00 C ATOM 613 CE2 PHE A 412 5.651 -31.431 3.259 1.00 0.00 C ATOM 614 CZ PHE A 412 6.240 -30.565 2.321 1.00 0.00 C ATOM 0 H PHE A 412 7.555 -32.812 7.273 1.00 0.00 H new ATOM 0 HA PHE A 412 9.278 -30.503 6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 412 6.291 -30.453 7.119 1.00 0.00 H new ATOM 0 HB3 PHE A 412 7.318 -29.082 6.745 1.00 0.00 H new ATOM 0 HD1 PHE A 412 8.103 -28.664 4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 412 5.489 -31.965 5.344 1.00 0.00 H new ATOM 0 HE1 PHE A 412 7.586 -28.902 2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 412 4.970 -32.201 2.927 1.00 0.00 H new ATOM 0 HZ PHE A 412 6.011 -30.666 1.270 1.00 0.00 H new ATOM 624 N ASN A 413 8.488 -29.622 9.119 1.00 0.00 N ATOM 625 CA ASN A 413 8.618 -29.440 10.562 1.00 0.00 C ATOM 626 C ASN A 413 7.480 -30.160 11.298 1.00 0.00 C ATOM 627 O ASN A 413 7.706 -31.175 11.953 1.00 0.00 O ATOM 628 CB ASN A 413 8.677 -27.943 10.891 1.00 0.00 C ATOM 629 CG ASN A 413 8.855 -27.704 12.387 1.00 0.00 C ATOM 630 OD1 ASN A 413 9.974 -27.556 12.872 1.00 0.00 O ATOM 631 ND2 ASN A 413 7.753 -27.636 13.133 1.00 0.00 N ATOM 0 H ASN A 413 8.360 -28.754 8.599 1.00 0.00 H new ATOM 0 HA ASN A 413 9.549 -29.889 10.908 1.00 0.00 H new ATOM 0 HB2 ASN A 413 9.502 -27.483 10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 413 7.762 -27.459 10.551 1.00 0.00 H new ATOM 0 HD21 ASN A 413 7.825 -27.457 14.135 1.00 0.00 H new ATOM 0 HD22 ASN A 413 6.837 -27.763 12.702 1.00 0.00 H new ATOM 638 N ASN A 414 6.256 -29.636 11.176 1.00 0.00 N ATOM 639 CA ASN A 414 5.031 -30.174 11.765 1.00 0.00 C ATOM 640 C ASN A 414 3.879 -29.639 10.914 1.00 0.00 C ATOM 641 O ASN A 414 2.930 -29.044 11.422 1.00 0.00 O ATOM 642 CB ASN A 414 4.871 -29.750 13.238 1.00 0.00 C ATOM 643 CG ASN A 414 5.851 -30.429 14.192 1.00 0.00 C ATOM 644 OD1 ASN A 414 6.672 -29.768 14.822 1.00 0.00 O ATOM 645 ND2 ASN A 414 5.752 -31.752 14.330 1.00 0.00 N ATOM 0 H ASN A 414 6.087 -28.786 10.638 1.00 0.00 H new ATOM 0 HA ASN A 414 5.052 -31.264 11.769 1.00 0.00 H new ATOM 0 HB2 ASN A 414 5.000 -28.670 13.310 1.00 0.00 H new ATOM 0 HB3 ASN A 414 3.854 -29.972 13.560 1.00 0.00 H new ATOM 0 HD21 ASN A 414 6.370 -32.245 14.975 1.00 0.00 H new ATOM 0 HD22 ASN A 414 5.058 -32.271 13.791 1.00 0.00 H new ATOM 652 N ARG A 415 3.992 -29.830 9.596 1.00 0.00 N ATOM 653 CA ARG A 415 3.028 -29.333 8.631 1.00 0.00 C ATOM 654 C ARG A 415 1.974 -30.390 8.308 1.00 0.00 C ATOM 655 O ARG A 415 2.223 -31.318 7.543 1.00 0.00 O ATOM 656 CB ARG A 415 3.761 -28.822 7.384 1.00 0.00 C ATOM 657 CG ARG A 415 4.930 -27.881 7.732 1.00 0.00 C ATOM 658 CD ARG A 415 4.512 -26.708 8.624 1.00 0.00 C ATOM 659 NE ARG A 415 5.570 -25.689 8.695 1.00 0.00 N ATOM 660 CZ ARG A 415 5.401 -24.472 9.236 1.00 0.00 C ATOM 661 NH1 ARG A 415 4.240 -24.175 9.834 1.00 0.00 N ATOM 662 NH2 ARG A 415 6.385 -23.571 9.171 1.00 0.00 N ATOM 0 H ARG A 415 4.767 -30.341 9.173 1.00 0.00 H new ATOM 0 HA ARG A 415 2.486 -28.491 9.063 1.00 0.00 H new ATOM 0 HB2 ARG A 415 4.139 -29.671 6.815 1.00 0.00 H new ATOM 0 HB3 ARG A 415 3.055 -28.297 6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 415 5.711 -28.452 8.235 1.00 0.00 H new ATOM 0 HG3 ARG A 415 5.363 -27.492 6.810 1.00 0.00 H new ATOM 0 HD2 ARG A 415 3.598 -26.260 8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 415 4.287 -27.072 9.626 1.00 0.00 H new ATOM 0 HE ARG A 415 6.486 -25.920 8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.495 -24.870 9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 415 4.101 -23.253 10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 415 7.264 -23.808 8.711 1.00 0.00 H new ATOM 0 HH22 ARG A 415 6.258 -22.646 9.582 1.00 0.00 H new ATOM 676 N THR A 416 0.790 -30.224 8.901 1.00 0.00 N ATOM 677 CA THR A 416 -0.370 -31.081 8.721 1.00 0.00 C ATOM 678 C THR A 416 -0.989 -30.831 7.344 1.00 0.00 C ATOM 679 O THR A 416 -0.558 -29.941 6.615 1.00 0.00 O ATOM 680 CB THR A 416 -1.399 -30.715 9.803 1.00 0.00 C ATOM 681 OG1 THR A 416 -1.785 -29.360 9.639 1.00 0.00 O ATOM 682 CG2 THR A 416 -0.844 -30.925 11.216 1.00 0.00 C ATOM 0 H THR A 416 0.612 -29.454 9.546 1.00 0.00 H new ATOM 0 HA THR A 416 -0.079 -32.129 8.797 1.00 0.00 H new ATOM 0 HB THR A 416 -2.260 -31.373 9.687 1.00 0.00 H new ATOM 0 HG1 THR A 416 -2.443 -29.122 10.326 1.00 0.00 H new ATOM 0 HG21 THR A 416 -1.604 -30.654 11.949 1.00 0.00 H new ATOM 0 HG22 THR A 416 -0.570 -31.972 11.347 1.00 0.00 H new ATOM 0 HG23 THR A 416 0.037 -30.299 11.358 1.00 0.00 H new ATOM 690 N SER A 417 -2.035 -31.589 7.001 1.00 0.00 N ATOM 691 CA SER A 417 -2.777 -31.420 5.760 1.00 0.00 C ATOM 692 C SER A 417 -3.286 -29.975 5.678 1.00 0.00 C ATOM 693 O SER A 417 -3.179 -29.330 4.637 1.00 0.00 O ATOM 694 CB SER A 417 -3.929 -32.429 5.749 1.00 0.00 C ATOM 695 OG SER A 417 -4.576 -32.438 7.008 1.00 0.00 O ATOM 0 H SER A 417 -2.390 -32.344 7.588 1.00 0.00 H new ATOM 0 HA SER A 417 -2.146 -31.603 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.642 -32.171 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 417 -3.549 -33.424 5.519 1.00 0.00 H new ATOM 0 HG SER A 417 -5.313 -33.084 6.993 1.00 0.00 H new ATOM 701 N VAL A 418 -3.819 -29.473 6.798 1.00 0.00 N ATOM 702 CA VAL A 418 -4.330 -28.118 6.941 1.00 0.00 C ATOM 703 C VAL A 418 -3.205 -27.108 6.687 1.00 0.00 C ATOM 704 O VAL A 418 -3.377 -26.198 5.878 1.00 0.00 O ATOM 705 CB VAL A 418 -4.956 -27.937 8.336 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.452 -26.500 8.544 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.138 -28.894 8.539 1.00 0.00 C ATOM 0 H VAL A 418 -3.906 -30.022 7.653 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.111 -27.940 6.202 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.174 -28.159 9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -5.888 -26.406 9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.615 -25.809 8.448 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.206 -26.263 7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.561 -28.744 9.532 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -6.901 -28.695 7.786 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -5.793 -29.924 8.443 1.00 0.00 H new ATOM 717 N MET A 419 -2.061 -27.262 7.368 1.00 0.00 N ATOM 718 CA MET A 419 -0.916 -26.367 7.208 1.00 0.00 C ATOM 719 C MET A 419 -0.460 -26.319 5.745 1.00 0.00 C ATOM 720 O MET A 419 -0.295 -25.238 5.181 1.00 0.00 O ATOM 721 CB MET A 419 0.238 -26.840 8.098 1.00 0.00 C ATOM 722 CG MET A 419 -0.003 -26.623 9.593 1.00 0.00 C ATOM 723 SD MET A 419 0.444 -24.972 10.184 1.00 0.00 S ATOM 724 CE MET A 419 0.248 -25.243 11.960 1.00 0.00 C ATOM 0 H MET A 419 -1.908 -28.011 8.043 1.00 0.00 H new ATOM 0 HA MET A 419 -1.218 -25.363 7.506 1.00 0.00 H new ATOM 0 HB2 MET A 419 0.411 -27.901 7.918 1.00 0.00 H new ATOM 0 HB3 MET A 419 1.148 -26.315 7.807 1.00 0.00 H new ATOM 0 HG2 MET A 419 -1.056 -26.801 9.810 1.00 0.00 H new ATOM 0 HG3 MET A 419 0.567 -27.364 10.153 1.00 0.00 H new ATOM 0 HE1 MET A 419 0.483 -24.324 12.496 1.00 0.00 H new ATOM 0 HE2 MET A 419 -0.781 -25.534 12.172 1.00 0.00 H new ATOM 0 HE3 MET A 419 0.923 -26.035 12.284 1.00 0.00 H new ATOM 734 N LEU A 420 -0.255 -27.494 5.140 1.00 0.00 N ATOM 735 CA LEU A 420 0.176 -27.649 3.756 1.00 0.00 C ATOM 736 C LEU A 420 -0.792 -26.923 2.823 1.00 0.00 C ATOM 737 O LEU A 420 -0.371 -26.112 1.996 1.00 0.00 O ATOM 738 CB LEU A 420 0.264 -29.146 3.405 1.00 0.00 C ATOM 739 CG LEU A 420 1.419 -29.856 4.131 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.191 -31.369 4.201 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.745 -29.621 3.406 1.00 0.00 C ATOM 0 H LEU A 420 -0.390 -28.385 5.617 1.00 0.00 H new ATOM 0 HA LEU A 420 1.164 -27.206 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.677 -29.632 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.394 -29.256 2.328 1.00 0.00 H new ATOM 0 HG LEU A 420 1.456 -29.440 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 420 2.026 -31.839 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.267 -31.573 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.118 -31.773 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.547 -30.133 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.678 -30.010 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.957 -28.552 3.372 1.00 0.00 H new ATOM 753 N LYS A 421 -2.091 -27.210 2.970 1.00 0.00 N ATOM 754 CA LYS A 421 -3.141 -26.600 2.173 1.00 0.00 C ATOM 755 C LYS A 421 -3.095 -25.080 2.282 1.00 0.00 C ATOM 756 O LYS A 421 -3.056 -24.399 1.260 1.00 0.00 O ATOM 757 CB LYS A 421 -4.517 -27.118 2.629 1.00 0.00 C ATOM 758 CG LYS A 421 -5.675 -26.498 1.827 1.00 0.00 C ATOM 759 CD LYS A 421 -5.758 -27.112 0.427 1.00 0.00 C ATOM 760 CE LYS A 421 -5.924 -26.080 -0.696 1.00 0.00 C ATOM 761 NZ LYS A 421 -6.213 -26.751 -1.978 1.00 0.00 N ATOM 0 H LYS A 421 -2.438 -27.881 3.656 1.00 0.00 H new ATOM 0 HA LYS A 421 -2.981 -26.874 1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.546 -28.203 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.653 -26.896 3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.615 -26.657 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.532 -25.420 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -4.855 -27.694 0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -6.597 -27.807 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -6.733 -25.392 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -5.016 -25.484 -0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -5.549 -26.413 -2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -6.107 -27.779 -1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -7.187 -26.534 -2.271 1.00 0.00 H new ATOM 775 N ASP A 422 -3.128 -24.547 3.508 1.00 0.00 N ATOM 776 CA ASP A 422 -3.142 -23.111 3.723 1.00 0.00 C ATOM 777 C ASP A 422 -1.892 -22.429 3.171 1.00 0.00 C ATOM 778 O ASP A 422 -2.002 -21.382 2.538 1.00 0.00 O ATOM 779 CB ASP A 422 -3.385 -22.769 5.191 1.00 0.00 C ATOM 780 CG ASP A 422 -3.697 -21.284 5.335 1.00 0.00 C ATOM 781 OD1 ASP A 422 -4.665 -20.835 4.680 1.00 0.00 O ATOM 782 OD2 ASP A 422 -2.991 -20.623 6.124 1.00 0.00 O ATOM 0 H ASP A 422 -3.145 -25.099 4.366 1.00 0.00 H new ATOM 0 HA ASP A 422 -3.982 -22.711 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -4.213 -23.362 5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -2.506 -23.023 5.783 1.00 0.00 H new ATOM 787 N ARG A 423 -0.703 -23.008 3.378 1.00 0.00 N ATOM 788 CA ARG A 423 0.511 -22.410 2.843 1.00 0.00 C ATOM 789 C ARG A 423 0.412 -22.342 1.322 1.00 0.00 C ATOM 790 O ARG A 423 0.641 -21.286 0.733 1.00 0.00 O ATOM 791 CB ARG A 423 1.762 -23.186 3.268 1.00 0.00 C ATOM 792 CG ARG A 423 3.039 -22.576 2.660 1.00 0.00 C ATOM 793 CD ARG A 423 3.255 -21.127 3.115 1.00 0.00 C ATOM 794 NE ARG A 423 4.588 -20.625 2.755 1.00 0.00 N ATOM 795 CZ ARG A 423 4.967 -19.337 2.806 1.00 0.00 C ATOM 796 NH1 ARG A 423 4.098 -18.389 3.167 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.226 -18.988 2.514 1.00 0.00 N ATOM 0 H ARG A 423 -0.563 -23.872 3.902 1.00 0.00 H new ATOM 0 HA ARG A 423 0.606 -21.403 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 423 1.840 -23.186 4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.670 -24.226 2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 423 3.901 -23.179 2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 423 2.975 -22.609 1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 423 2.495 -20.489 2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 423 3.124 -21.064 4.195 1.00 0.00 H new ATOM 0 HE ARG A 423 5.279 -21.307 2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 423 3.139 -18.641 3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 423 4.393 -17.413 3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 423 6.905 -19.702 2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.506 -18.008 2.555 1.00 0.00 H new ATOM 811 N TRP A 424 0.062 -23.465 0.682 1.00 0.00 N ATOM 812 CA TRP A 424 -0.073 -23.478 -0.762 1.00 0.00 C ATOM 813 C TRP A 424 -1.161 -22.504 -1.213 1.00 0.00 C ATOM 814 O TRP A 424 -1.020 -21.894 -2.266 1.00 0.00 O ATOM 815 CB TRP A 424 -0.345 -24.880 -1.298 1.00 0.00 C ATOM 816 CG TRP A 424 -0.473 -24.892 -2.791 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.600 -25.165 -3.481 1.00 0.00 C ATOM 818 CD2 TRP A 424 0.547 -24.609 -3.793 1.00 0.00 C ATOM 819 NE1 TRP A 424 -1.357 -25.079 -4.834 1.00 0.00 N ATOM 820 CE2 TRP A 424 -0.043 -24.735 -5.085 1.00 0.00 C ATOM 821 CE3 TRP A 424 1.914 -24.259 -3.742 1.00 0.00 C ATOM 822 CZ2 TRP A 424 0.687 -24.524 -6.265 1.00 0.00 C ATOM 823 CZ3 TRP A 424 2.654 -24.046 -4.920 1.00 0.00 C ATOM 824 CH2 TRP A 424 2.045 -24.179 -6.178 1.00 0.00 C ATOM 0 H TRP A 424 -0.128 -24.356 1.140 1.00 0.00 H new ATOM 0 HA TRP A 424 0.880 -23.152 -1.179 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.463 -25.547 -0.998 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.261 -25.268 -0.852 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.553 -25.414 -3.037 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -2.057 -25.247 -5.557 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.400 -24.153 -2.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 0.210 -24.626 -7.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 3.698 -23.778 -4.856 1.00 0.00 H new ATOM 0 HH2 TRP A 424 2.620 -24.016 -7.077 1.00 0.00 H new ATOM 835 N ARG A 425 -2.230 -22.340 -0.429 1.00 0.00 N ATOM 836 CA ARG A 425 -3.306 -21.412 -0.736 1.00 0.00 C ATOM 837 C ARG A 425 -2.753 -19.987 -0.741 1.00 0.00 C ATOM 838 O ARG A 425 -3.057 -19.215 -1.647 1.00 0.00 O ATOM 839 CB ARG A 425 -4.445 -21.596 0.267 1.00 0.00 C ATOM 840 CG ARG A 425 -5.573 -20.582 0.063 1.00 0.00 C ATOM 841 CD ARG A 425 -6.812 -21.049 0.827 1.00 0.00 C ATOM 842 NE ARG A 425 -6.562 -21.201 2.272 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.342 -21.914 3.101 1.00 0.00 C ATOM 844 NH1 ARG A 425 -8.317 -22.690 2.622 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.140 -21.846 4.421 1.00 0.00 N ATOM 0 H ARG A 425 -2.368 -22.854 0.441 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.715 -21.611 -1.726 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.847 -22.605 0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -4.053 -21.500 1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.263 -19.599 0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -5.801 -20.482 -0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.620 -20.333 0.675 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -7.149 -22.001 0.418 1.00 0.00 H new ATOM 0 HE ARG A 425 -5.745 -20.735 2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -8.476 -22.746 1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -8.903 -23.227 3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -6.397 -21.255 4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -7.729 -22.385 5.056 1.00 0.00 H new ATOM 859 N THR A 426 -1.925 -19.641 0.251 1.00 0.00 N ATOM 860 CA THR A 426 -1.298 -18.331 0.332 1.00 0.00 C ATOM 861 C THR A 426 -0.424 -18.117 -0.906 1.00 0.00 C ATOM 862 O THR A 426 -0.525 -17.078 -1.551 1.00 0.00 O ATOM 863 CB THR A 426 -0.479 -18.217 1.624 1.00 0.00 C ATOM 864 OG1 THR A 426 -1.338 -18.388 2.732 1.00 0.00 O ATOM 865 CG2 THR A 426 0.209 -16.854 1.732 1.00 0.00 C ATOM 0 H THR A 426 -1.675 -20.266 1.017 1.00 0.00 H new ATOM 0 HA THR A 426 -2.061 -17.553 0.357 1.00 0.00 H new ATOM 0 HB THR A 426 0.290 -18.989 1.610 1.00 0.00 H new ATOM 0 HG1 THR A 426 -1.627 -19.323 2.780 1.00 0.00 H new ATOM 0 HG21 THR A 426 0.781 -16.807 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 426 0.881 -16.717 0.884 1.00 0.00 H new ATOM 0 HG23 THR A 426 -0.543 -16.065 1.730 1.00 0.00 H new ATOM 873 N MET A 427 0.425 -19.098 -1.239 1.00 0.00 N ATOM 874 CA MET A 427 1.311 -19.033 -2.395 1.00 0.00 C ATOM 875 C MET A 427 0.486 -18.809 -3.670 1.00 0.00 C ATOM 876 O MET A 427 0.750 -17.889 -4.444 1.00 0.00 O ATOM 877 CB MET A 427 2.149 -20.324 -2.470 1.00 0.00 C ATOM 878 CG MET A 427 3.543 -20.099 -3.073 1.00 0.00 C ATOM 879 SD MET A 427 3.651 -19.184 -4.635 1.00 0.00 S ATOM 880 CE MET A 427 2.729 -20.278 -5.740 1.00 0.00 C ATOM 0 H MET A 427 0.512 -19.963 -0.706 1.00 0.00 H new ATOM 0 HA MET A 427 1.998 -18.192 -2.296 1.00 0.00 H new ATOM 0 HB2 MET A 427 2.255 -20.741 -1.468 1.00 0.00 H new ATOM 0 HB3 MET A 427 1.615 -21.063 -3.068 1.00 0.00 H new ATOM 0 HG2 MET A 427 4.147 -19.572 -2.334 1.00 0.00 H new ATOM 0 HG3 MET A 427 4.004 -21.075 -3.224 1.00 0.00 H new ATOM 0 HE1 MET A 427 3.349 -20.534 -6.599 1.00 0.00 H new ATOM 0 HE2 MET A 427 2.455 -21.188 -5.206 1.00 0.00 H new ATOM 0 HE3 MET A 427 1.826 -19.773 -6.082 1.00 0.00 H new ATOM 890 N LYS A 428 -0.524 -19.663 -3.873 1.00 0.00 N ATOM 891 CA LYS A 428 -1.455 -19.643 -4.990 1.00 0.00 C ATOM 892 C LYS A 428 -2.028 -18.233 -5.118 1.00 0.00 C ATOM 893 O LYS A 428 -1.964 -17.654 -6.194 1.00 0.00 O ATOM 894 CB LYS A 428 -2.551 -20.696 -4.744 1.00 0.00 C ATOM 895 CG LYS A 428 -3.673 -20.733 -5.796 1.00 0.00 C ATOM 896 CD LYS A 428 -5.012 -21.126 -5.149 1.00 0.00 C ATOM 897 CE LYS A 428 -5.056 -22.558 -4.600 1.00 0.00 C ATOM 898 NZ LYS A 428 -5.131 -23.573 -5.667 1.00 0.00 N ATOM 0 H LYS A 428 -0.718 -20.425 -3.223 1.00 0.00 H new ATOM 0 HA LYS A 428 -0.959 -19.893 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -2.084 -21.680 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -2.997 -20.511 -3.767 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -3.766 -19.756 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -3.419 -21.446 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -5.226 -20.432 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -5.806 -21.008 -5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -4.168 -22.738 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -5.918 -22.664 -3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -5.602 -24.426 -5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -5.674 -23.194 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -4.170 -23.816 -5.983 1.00 0.00 H new ATOM 912 N LYS A 429 -2.572 -17.690 -4.026 1.00 0.00 N ATOM 913 CA LYS A 429 -3.148 -16.355 -3.971 1.00 0.00 C ATOM 914 C LYS A 429 -2.113 -15.284 -4.332 1.00 0.00 C ATOM 915 O LYS A 429 -2.428 -14.342 -5.053 1.00 0.00 O ATOM 916 CB LYS A 429 -3.737 -16.135 -2.563 1.00 0.00 C ATOM 917 CG LYS A 429 -4.216 -14.700 -2.280 1.00 0.00 C ATOM 918 CD LYS A 429 -3.156 -13.782 -1.637 1.00 0.00 C ATOM 919 CE LYS A 429 -2.945 -14.069 -0.143 1.00 0.00 C ATOM 920 NZ LYS A 429 -1.906 -13.202 0.446 1.00 0.00 N ATOM 0 H LYS A 429 -2.623 -18.184 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 429 -3.944 -16.267 -4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -4.576 -16.817 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -2.983 -16.404 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -4.546 -14.250 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -5.085 -14.744 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -2.209 -13.905 -2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -3.458 -12.742 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -3.884 -13.923 0.390 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -2.663 -15.114 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -1.796 -13.429 1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -1.003 -13.360 -0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -2.186 -12.206 0.344 1.00 0.00 H new