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 398 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 405 LYS NZ :NH3+ 151:sc= 1.06 (180deg=-0.22) USER MOD Set 1.3: A 409 HIS : no HE2:sc= 0.853 K(o=1.9,f=-9.4!) USER MOD Set 2.1: A 397 LYS NZ :NH3+ 170:sc= 0.968 (180deg=0) USER MOD Set 2.2: A 410 TYR OH : rot 175:sc= 0.845 USER MOD Single : A 381 GLN : amide:sc= 0.0496 K(o=0.05,f=-1.4) USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 ASN : amide:sc= -0.278 K(o=-0.28,f=-1.5) USER MOD Single : A 393 SER OG : rot 82:sc= 1.8 USER MOD Single : A 402 ASN : amide:sc= 0.469 X(o=0.47,f=0) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.03) USER MOD Single : A 413 ASN : amide:sc= 0.433 X(o=0.43,f=-0.059) USER MOD Single : A 414 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 417 SER OG : rot 180:sc= 0.0379 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ -135:sc= -0.0131 (180deg=-0.429) USER MOD Single : A 426 THR OG1 : rot 71:sc= 0.376 USER MOD Single : A 427 MET CE :methyl -170:sc= -0.0888 (180deg=-0.358) USER MOD Single : A 428 LYS NZ :NH3+ 169:sc= 0.874 (180deg=0.703) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.617 -20.953 12.937 1.00 0.00 N ATOM 72 CA GLN A 381 6.537 -21.792 12.198 1.00 0.00 C ATOM 73 C GLN A 381 6.681 -21.133 10.822 1.00 0.00 C ATOM 74 O GLN A 381 6.045 -21.549 9.856 1.00 0.00 O ATOM 75 CB GLN A 381 5.941 -23.209 12.144 1.00 0.00 C ATOM 76 CG GLN A 381 6.912 -24.312 11.708 1.00 0.00 C ATOM 77 CD GLN A 381 6.204 -25.658 11.509 1.00 0.00 C ATOM 78 OE1 GLN A 381 6.662 -26.494 10.736 1.00 0.00 O ATOM 79 NE2 GLN A 381 5.075 -25.886 12.181 1.00 0.00 N ATOM 0 HA GLN A 381 7.525 -21.886 12.648 1.00 0.00 H new ATOM 0 HB2 GLN A 381 5.552 -23.460 13.131 1.00 0.00 H new ATOM 0 HB3 GLN A 381 5.093 -23.203 11.459 1.00 0.00 H new ATOM 0 HG2 GLN A 381 7.400 -24.018 10.778 1.00 0.00 H new ATOM 0 HG3 GLN A 381 7.695 -24.422 12.458 1.00 0.00 H new ATOM 0 HE21 GLN A 381 4.710 -25.179 12.819 1.00 0.00 H new ATOM 0 HE22 GLN A 381 4.577 -26.767 12.057 1.00 0.00 H new ATOM 88 N ALA A 382 7.504 -20.081 10.741 1.00 0.00 N ATOM 89 CA ALA A 382 7.738 -19.336 9.510 1.00 0.00 C ATOM 90 C ALA A 382 8.252 -20.271 8.418 1.00 0.00 C ATOM 91 O ALA A 382 9.210 -21.012 8.645 1.00 0.00 O ATOM 92 CB ALA A 382 8.727 -18.199 9.776 1.00 0.00 C ATOM 0 H ALA A 382 8.029 -19.724 11.539 1.00 0.00 H new ATOM 0 HA ALA A 382 6.800 -18.902 9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 382 8.900 -17.644 8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 382 8.316 -17.529 10.531 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.670 -18.613 10.132 1.00 0.00 H new ATOM 98 N TRP A 383 7.614 -20.252 7.243 1.00 0.00 N ATOM 99 CA TRP A 383 8.009 -21.116 6.139 1.00 0.00 C ATOM 100 C TRP A 383 9.328 -20.649 5.512 1.00 0.00 C ATOM 101 O TRP A 383 9.610 -19.453 5.451 1.00 0.00 O ATOM 102 CB TRP A 383 6.882 -21.201 5.104 1.00 0.00 C ATOM 103 CG TRP A 383 5.667 -21.972 5.534 1.00 0.00 C ATOM 104 CD1 TRP A 383 4.767 -21.588 6.468 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.202 -23.269 5.057 1.00 0.00 C ATOM 106 NE1 TRP A 383 3.781 -22.541 6.602 1.00 0.00 N ATOM 107 CE2 TRP A 383 4.004 -23.606 5.752 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.670 -24.200 4.104 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.310 -24.802 5.516 1.00 0.00 C ATOM 110 CZ3 TRP A 383 4.984 -25.403 3.860 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.808 -25.704 4.567 1.00 0.00 C ATOM 0 H TRP A 383 6.821 -19.644 7.037 1.00 0.00 H new ATOM 0 HA TRP A 383 8.183 -22.119 6.528 1.00 0.00 H new ATOM 0 HB2 TRP A 383 6.575 -20.188 4.843 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.279 -21.658 4.197 1.00 0.00 H new ATOM 0 HD1 TRP A 383 4.815 -20.666 7.029 1.00 0.00 H new ATOM 0 HE1 TRP A 383 2.991 -22.469 7.244 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.573 -23.984 3.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.403 -25.025 6.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.363 -26.099 3.126 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.288 -26.631 4.379 1.00 0.00 H new ATOM 122 N LEU A 384 10.131 -21.615 5.050 1.00 0.00 N ATOM 123 CA LEU A 384 11.431 -21.428 4.408 1.00 0.00 C ATOM 124 C LEU A 384 11.503 -22.375 3.206 1.00 0.00 C ATOM 125 O LEU A 384 10.664 -23.268 3.089 1.00 0.00 O ATOM 126 CB LEU A 384 12.565 -21.736 5.400 1.00 0.00 C ATOM 127 CG LEU A 384 12.642 -20.774 6.599 1.00 0.00 C ATOM 128 CD1 LEU A 384 13.659 -21.315 7.609 1.00 0.00 C ATOM 129 CD2 LEU A 384 13.066 -19.363 6.175 1.00 0.00 C ATOM 0 H LEU A 384 9.874 -22.600 5.119 1.00 0.00 H new ATOM 0 HA LEU A 384 11.545 -20.395 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.438 -22.752 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 384 13.515 -21.708 4.866 1.00 0.00 H new ATOM 0 HG LEU A 384 11.648 -20.709 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 384 13.720 -20.639 8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 384 13.344 -22.301 7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 384 14.638 -21.390 7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 384 13.108 -18.717 7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 384 14.050 -19.404 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 384 12.343 -18.964 5.464 1.00 0.00 H new ATOM 141 N TRP A 385 12.490 -22.195 2.311 1.00 0.00 N ATOM 142 CA TRP A 385 12.631 -23.026 1.114 1.00 0.00 C ATOM 143 C TRP A 385 12.677 -24.519 1.384 1.00 0.00 C ATOM 144 O TRP A 385 12.361 -25.268 0.477 1.00 0.00 O ATOM 145 CB TRP A 385 13.820 -22.639 0.233 1.00 0.00 C ATOM 146 CG TRP A 385 15.135 -22.543 0.924 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.715 -21.368 1.199 1.00 0.00 C ATOM 148 CD2 TRP A 385 16.043 -23.568 1.432 1.00 0.00 C ATOM 149 NE1 TRP A 385 16.914 -21.561 1.849 1.00 0.00 N ATOM 150 CE2 TRP A 385 17.166 -22.909 2.021 1.00 0.00 C ATOM 151 CE3 TRP A 385 16.043 -24.979 1.463 1.00 0.00 C ATOM 152 CZ2 TRP A 385 18.225 -23.616 2.610 1.00 0.00 C ATOM 153 CZ3 TRP A 385 17.097 -25.697 2.054 1.00 0.00 C ATOM 154 CH2 TRP A 385 18.187 -25.019 2.628 1.00 0.00 C ATOM 0 H TRP A 385 13.205 -21.473 2.400 1.00 0.00 H new ATOM 0 HA TRP A 385 11.710 -22.815 0.571 1.00 0.00 H new ATOM 0 HB2 TRP A 385 13.906 -23.371 -0.570 1.00 0.00 H new ATOM 0 HB3 TRP A 385 13.605 -21.677 -0.233 1.00 0.00 H new ATOM 0 HD1 TRP A 385 15.300 -20.403 0.946 1.00 0.00 H new ATOM 0 HE1 TRP A 385 17.532 -20.811 2.161 1.00 0.00 H new ATOM 0 HE3 TRP A 385 15.217 -25.518 1.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 19.060 -23.087 3.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 17.069 -26.777 2.067 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.993 -25.576 3.082 1.00 0.00 H new ATOM 165 N GLU A 386 13.049 -25.009 2.568 1.00 0.00 N ATOM 166 CA GLU A 386 13.019 -26.457 2.726 1.00 0.00 C ATOM 167 C GLU A 386 11.570 -26.898 2.536 1.00 0.00 C ATOM 168 O GLU A 386 11.259 -27.702 1.658 1.00 0.00 O ATOM 169 CB GLU A 386 13.627 -26.869 4.073 1.00 0.00 C ATOM 170 CG GLU A 386 13.573 -28.385 4.320 1.00 0.00 C ATOM 171 CD GLU A 386 14.272 -29.213 3.243 1.00 0.00 C ATOM 172 OE1 GLU A 386 15.311 -28.735 2.739 1.00 0.00 O ATOM 173 OE2 GLU A 386 13.764 -30.321 2.957 1.00 0.00 O ATOM 0 H GLU A 386 13.354 -24.468 3.377 1.00 0.00 H new ATOM 0 HA GLU A 386 13.634 -26.961 1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 386 14.664 -26.537 4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 386 13.097 -26.357 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 386 14.030 -28.602 5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 386 12.530 -28.696 4.384 1.00 0.00 H new ATOM 180 N GLU A 387 10.675 -26.322 3.333 1.00 0.00 N ATOM 181 CA GLU A 387 9.263 -26.606 3.245 1.00 0.00 C ATOM 182 C GLU A 387 8.690 -26.142 1.901 1.00 0.00 C ATOM 183 O GLU A 387 8.101 -26.942 1.180 1.00 0.00 O ATOM 184 CB GLU A 387 8.549 -25.947 4.425 1.00 0.00 C ATOM 185 CG GLU A 387 9.164 -26.340 5.773 1.00 0.00 C ATOM 186 CD GLU A 387 8.233 -25.933 6.901 1.00 0.00 C ATOM 187 OE1 GLU A 387 7.925 -24.727 6.974 1.00 0.00 O ATOM 188 OE2 GLU A 387 7.827 -26.831 7.675 1.00 0.00 O ATOM 0 H GLU A 387 10.918 -25.645 4.056 1.00 0.00 H new ATOM 0 HA GLU A 387 9.104 -27.683 3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 387 8.590 -24.864 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.496 -26.229 4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.339 -27.415 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.133 -25.856 5.896 1.00 0.00 H new ATOM 195 N ASP A 388 8.848 -24.861 1.556 1.00 0.00 N ATOM 196 CA ASP A 388 8.325 -24.277 0.323 1.00 0.00 C ATOM 197 C ASP A 388 8.829 -24.958 -0.950 1.00 0.00 C ATOM 198 O ASP A 388 8.037 -25.270 -1.837 1.00 0.00 O ATOM 199 CB ASP A 388 8.646 -22.773 0.261 1.00 0.00 C ATOM 200 CG ASP A 388 7.415 -21.911 0.504 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.747 -22.123 1.537 1.00 0.00 O ATOM 202 OD2 ASP A 388 7.155 -21.030 -0.344 1.00 0.00 O ATOM 0 H ASP A 388 9.352 -24.191 2.137 1.00 0.00 H new ATOM 0 HA ASP A 388 7.247 -24.436 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.407 -22.535 1.005 1.00 0.00 H new ATOM 0 HB3 ASP A 388 9.068 -22.533 -0.715 1.00 0.00 H new ATOM 207 N LYS A 389 10.143 -25.171 -1.063 1.00 0.00 N ATOM 208 CA LYS A 389 10.736 -25.779 -2.246 1.00 0.00 C ATOM 209 C LYS A 389 10.264 -27.237 -2.358 1.00 0.00 C ATOM 210 O LYS A 389 9.893 -27.675 -3.450 1.00 0.00 O ATOM 211 CB LYS A 389 12.268 -25.581 -2.255 1.00 0.00 C ATOM 212 CG LYS A 389 12.890 -25.675 -3.654 1.00 0.00 C ATOM 213 CD LYS A 389 12.756 -24.387 -4.486 1.00 0.00 C ATOM 214 CE LYS A 389 13.513 -23.205 -3.857 1.00 0.00 C ATOM 215 NZ LYS A 389 13.643 -22.068 -4.788 1.00 0.00 N ATOM 0 H LYS A 389 10.818 -24.927 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 389 10.393 -25.281 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.503 -24.607 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.727 -26.331 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 389 13.947 -25.923 -3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 389 12.419 -26.496 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 389 13.136 -24.565 -5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 389 11.702 -24.129 -4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 389 12.991 -22.878 -2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 389 14.505 -23.534 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 14.159 -21.295 -4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 14.164 -22.371 -5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 12.697 -21.735 -5.064 1.00 0.00 H new ATOM 229 N ASN A 390 10.238 -27.981 -1.239 1.00 0.00 N ATOM 230 CA ASN A 390 9.756 -29.362 -1.230 1.00 0.00 C ATOM 231 C ASN A 390 8.292 -29.407 -1.666 1.00 0.00 C ATOM 232 O ASN A 390 7.923 -30.190 -2.538 1.00 0.00 O ATOM 233 CB ASN A 390 9.859 -29.971 0.173 1.00 0.00 C ATOM 234 CG ASN A 390 11.279 -30.347 0.582 1.00 0.00 C ATOM 235 OD1 ASN A 390 12.243 -30.025 -0.109 1.00 0.00 O ATOM 236 ND2 ASN A 390 11.407 -31.031 1.719 1.00 0.00 N ATOM 0 H ASN A 390 10.548 -27.642 -0.328 1.00 0.00 H new ATOM 0 HA ASN A 390 10.377 -29.934 -1.920 1.00 0.00 H new ATOM 0 HB2 ASN A 390 9.459 -29.261 0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.231 -30.861 0.219 1.00 0.00 H new ATOM 0 HD21 ASN A 390 12.333 -31.308 2.046 1.00 0.00 H new ATOM 0 HD22 ASN A 390 10.579 -31.278 2.262 1.00 0.00 H new ATOM 243 N LEU A 391 7.467 -28.557 -1.047 1.00 0.00 N ATOM 244 CA LEU A 391 6.041 -28.430 -1.300 1.00 0.00 C ATOM 245 C LEU A 391 5.796 -28.177 -2.784 1.00 0.00 C ATOM 246 O LEU A 391 5.016 -28.893 -3.408 1.00 0.00 O ATOM 247 CB LEU A 391 5.482 -27.302 -0.419 1.00 0.00 C ATOM 248 CG LEU A 391 3.990 -27.031 -0.637 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.166 -28.297 -0.403 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.540 -25.915 0.312 1.00 0.00 C ATOM 0 H LEU A 391 7.795 -27.914 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 391 5.522 -29.354 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.647 -27.556 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.041 -26.387 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 391 3.831 -26.719 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.110 -28.079 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.486 -29.073 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.313 -28.643 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.479 -25.716 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.710 -26.224 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 391 4.111 -25.010 0.106 1.00 0.00 H new ATOM 262 N ARG A 392 6.480 -27.173 -3.348 1.00 0.00 N ATOM 263 CA ARG A 392 6.396 -26.818 -4.757 1.00 0.00 C ATOM 264 C ARG A 392 6.643 -28.071 -5.595 1.00 0.00 C ATOM 265 O ARG A 392 5.855 -28.398 -6.481 1.00 0.00 O ATOM 266 CB ARG A 392 7.416 -25.700 -5.042 1.00 0.00 C ATOM 267 CG ARG A 392 7.409 -25.111 -6.464 1.00 0.00 C ATOM 268 CD ARG A 392 7.931 -26.029 -7.583 1.00 0.00 C ATOM 269 NE ARG A 392 9.145 -26.771 -7.200 1.00 0.00 N ATOM 270 CZ ARG A 392 10.410 -26.331 -7.284 1.00 0.00 C ATOM 271 NH1 ARG A 392 10.678 -25.097 -7.726 1.00 0.00 N ATOM 272 NH2 ARG A 392 11.410 -27.146 -6.925 1.00 0.00 N ATOM 0 H ARG A 392 7.118 -26.577 -2.821 1.00 0.00 H new ATOM 0 HA ARG A 392 5.408 -26.439 -5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 392 7.239 -24.889 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.414 -26.088 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 392 6.388 -24.819 -6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 392 8.008 -24.201 -6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 392 7.150 -26.738 -7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 392 8.143 -25.429 -8.468 1.00 0.00 H new ATOM 0 HE ARG A 392 9.010 -27.714 -6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 392 9.916 -24.478 -8.004 1.00 0.00 H new ATOM 0 HH12 ARG A 392 11.644 -24.775 -7.785 1.00 0.00 H new ATOM 0 HH21 ARG A 392 11.206 -28.088 -6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 392 12.376 -26.824 -6.984 1.00 0.00 H new ATOM 286 N SER A 393 7.741 -28.778 -5.307 1.00 0.00 N ATOM 287 CA SER A 393 8.102 -29.996 -6.017 1.00 0.00 C ATOM 288 C SER A 393 7.006 -31.059 -5.890 1.00 0.00 C ATOM 289 O SER A 393 6.695 -31.741 -6.864 1.00 0.00 O ATOM 290 CB SER A 393 9.460 -30.499 -5.520 1.00 0.00 C ATOM 291 OG SER A 393 10.401 -29.442 -5.561 1.00 0.00 O ATOM 0 H SER A 393 8.400 -28.517 -4.574 1.00 0.00 H new ATOM 0 HA SER A 393 8.193 -29.776 -7.081 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.368 -30.879 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.801 -31.328 -6.140 1.00 0.00 H new ATOM 0 HG SER A 393 10.298 -28.881 -4.764 1.00 0.00 H new ATOM 297 N GLY A 394 6.418 -31.200 -4.700 1.00 0.00 N ATOM 298 CA GLY A 394 5.355 -32.153 -4.431 1.00 0.00 C ATOM 299 C GLY A 394 4.121 -31.872 -5.276 1.00 0.00 C ATOM 300 O GLY A 394 3.643 -32.762 -5.979 1.00 0.00 O ATOM 0 H GLY A 394 6.677 -30.642 -3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 394 5.712 -33.163 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.090 -32.114 -3.375 1.00 0.00 H new ATOM 304 N VAL A 395 3.614 -30.637 -5.218 1.00 0.00 N ATOM 305 CA VAL A 395 2.452 -30.231 -5.994 1.00 0.00 C ATOM 306 C VAL A 395 2.758 -30.403 -7.484 1.00 0.00 C ATOM 307 O VAL A 395 1.904 -30.862 -8.234 1.00 0.00 O ATOM 308 CB VAL A 395 2.018 -28.800 -5.630 1.00 0.00 C ATOM 309 CG1 VAL A 395 0.854 -28.363 -6.527 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.554 -28.732 -4.168 1.00 0.00 C ATOM 0 H VAL A 395 4.000 -29.897 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 395 1.602 -30.870 -5.753 1.00 0.00 H new ATOM 0 HB VAL A 395 2.874 -28.141 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.552 -27.349 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.169 -28.388 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.012 -29.040 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.251 -27.712 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 395 0.709 -29.405 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.372 -29.030 -3.512 1.00 0.00 H new ATOM 320 N ARG A 396 3.975 -30.062 -7.926 1.00 0.00 N ATOM 321 CA ARG A 396 4.347 -30.227 -9.323 1.00 0.00 C ATOM 322 C ARG A 396 4.297 -31.707 -9.731 1.00 0.00 C ATOM 323 O ARG A 396 3.849 -32.020 -10.832 1.00 0.00 O ATOM 324 CB ARG A 396 5.723 -29.592 -9.579 1.00 0.00 C ATOM 325 CG ARG A 396 6.219 -29.742 -11.026 1.00 0.00 C ATOM 326 CD ARG A 396 5.264 -29.125 -12.058 1.00 0.00 C ATOM 327 NE ARG A 396 5.772 -29.282 -13.429 1.00 0.00 N ATOM 328 CZ ARG A 396 6.663 -28.481 -14.037 1.00 0.00 C ATOM 329 NH1 ARG A 396 7.202 -27.440 -13.387 1.00 0.00 N ATOM 330 NH2 ARG A 396 7.017 -28.726 -15.305 1.00 0.00 N ATOM 0 H ARG A 396 4.710 -29.673 -7.335 1.00 0.00 H new ATOM 0 HA ARG A 396 3.624 -29.707 -9.952 1.00 0.00 H new ATOM 0 HB2 ARG A 396 5.675 -28.532 -9.330 1.00 0.00 H new ATOM 0 HB3 ARG A 396 6.452 -30.045 -8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 396 7.198 -29.271 -11.119 1.00 0.00 H new ATOM 0 HG3 ARG A 396 6.352 -30.800 -11.250 1.00 0.00 H new ATOM 0 HD2 ARG A 396 4.285 -29.597 -11.976 1.00 0.00 H new ATOM 0 HD3 ARG A 396 5.127 -28.066 -11.840 1.00 0.00 H new ATOM 0 HE ARG A 396 5.415 -30.071 -13.968 1.00 0.00 H new ATOM 0 HH11 ARG A 396 6.937 -27.249 -12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 396 7.878 -26.839 -13.859 1.00 0.00 H new ATOM 0 HH21 ARG A 396 6.611 -29.517 -15.804 1.00 0.00 H new ATOM 0 HH22 ARG A 396 7.693 -28.121 -15.772 1.00 0.00 H new ATOM 344 N LYS A 397 4.754 -32.618 -8.859 1.00 0.00 N ATOM 345 CA LYS A 397 4.762 -34.048 -9.139 1.00 0.00 C ATOM 346 C LYS A 397 3.368 -34.683 -9.135 1.00 0.00 C ATOM 347 O LYS A 397 2.963 -35.291 -10.124 1.00 0.00 O ATOM 348 CB LYS A 397 5.614 -34.802 -8.104 1.00 0.00 C ATOM 349 CG LYS A 397 7.126 -34.684 -8.314 1.00 0.00 C ATOM 350 CD LYS A 397 7.815 -35.588 -7.280 1.00 0.00 C ATOM 351 CE LYS A 397 9.344 -35.500 -7.331 1.00 0.00 C ATOM 352 NZ LYS A 397 9.843 -34.219 -6.801 1.00 0.00 N ATOM 0 H LYS A 397 5.127 -32.376 -7.941 1.00 0.00 H new ATOM 0 HA LYS A 397 5.180 -34.137 -10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 397 5.369 -34.429 -7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 397 5.339 -35.856 -8.125 1.00 0.00 H new ATOM 0 HG2 LYS A 397 7.396 -34.986 -9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 397 7.449 -33.650 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 397 7.474 -35.314 -6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 397 7.510 -36.621 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 397 9.773 -36.321 -6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 397 9.680 -35.621 -8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 10.877 -34.266 -6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 9.596 -33.452 -7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 9.409 -34.034 -5.874 1.00 0.00 H new ATOM 366 N TYR A 398 2.673 -34.602 -7.996 1.00 0.00 N ATOM 367 CA TYR A 398 1.392 -35.268 -7.765 1.00 0.00 C ATOM 368 C TYR A 398 0.153 -34.416 -8.027 1.00 0.00 C ATOM 369 O TYR A 398 -0.953 -34.956 -8.036 1.00 0.00 O ATOM 370 CB TYR A 398 1.382 -35.787 -6.315 1.00 0.00 C ATOM 371 CG TYR A 398 2.733 -36.302 -5.847 1.00 0.00 C ATOM 372 CD1 TYR A 398 3.358 -37.358 -6.536 1.00 0.00 C ATOM 373 CD2 TYR A 398 3.375 -35.715 -4.739 1.00 0.00 C ATOM 374 CE1 TYR A 398 4.619 -37.821 -6.124 1.00 0.00 C ATOM 375 CE2 TYR A 398 4.635 -36.180 -4.328 1.00 0.00 C ATOM 376 CZ TYR A 398 5.259 -37.231 -5.021 1.00 0.00 C ATOM 377 OH TYR A 398 6.486 -37.671 -4.622 1.00 0.00 O ATOM 0 H TYR A 398 2.994 -34.060 -7.194 1.00 0.00 H new ATOM 0 HA TYR A 398 1.323 -36.075 -8.495 1.00 0.00 H new ATOM 0 HB2 TYR A 398 1.058 -34.984 -5.652 1.00 0.00 H new ATOM 0 HB3 TYR A 398 0.647 -36.587 -6.229 1.00 0.00 H new ATOM 0 HD1 TYR A 398 2.867 -37.814 -7.383 1.00 0.00 H new ATOM 0 HD2 TYR A 398 2.898 -34.907 -4.205 1.00 0.00 H new ATOM 0 HE1 TYR A 398 5.097 -38.631 -6.655 1.00 0.00 H new ATOM 0 HE2 TYR A 398 5.125 -35.729 -3.478 1.00 0.00 H new ATOM 0 HH TYR A 398 6.782 -37.153 -3.845 1.00 0.00 H new ATOM 387 N GLY A 399 0.312 -33.106 -8.213 1.00 0.00 N ATOM 388 CA GLY A 399 -0.806 -32.197 -8.405 1.00 0.00 C ATOM 389 C GLY A 399 -1.282 -31.732 -7.030 1.00 0.00 C ATOM 390 O GLY A 399 -0.895 -32.295 -6.004 1.00 0.00 O ATOM 0 H GLY A 399 1.224 -32.649 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.503 -31.344 -9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.615 -32.696 -8.939 1.00 0.00 H new ATOM 394 N GLU A 400 -2.125 -30.698 -6.995 1.00 0.00 N ATOM 395 CA GLU A 400 -2.647 -30.175 -5.741 1.00 0.00 C ATOM 396 C GLU A 400 -3.621 -31.185 -5.124 1.00 0.00 C ATOM 397 O GLU A 400 -4.032 -32.140 -5.782 1.00 0.00 O ATOM 398 CB GLU A 400 -3.260 -28.792 -5.993 1.00 0.00 C ATOM 399 CG GLU A 400 -3.358 -27.969 -4.704 1.00 0.00 C ATOM 400 CD GLU A 400 -3.691 -26.510 -4.973 1.00 0.00 C ATOM 401 OE1 GLU A 400 -3.118 -25.943 -5.930 1.00 0.00 O ATOM 402 OE2 GLU A 400 -4.504 -25.945 -4.210 1.00 0.00 O ATOM 0 H GLU A 400 -2.459 -30.209 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.852 -30.038 -5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.655 -28.254 -6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.253 -28.908 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.122 -28.400 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.413 -28.030 -4.164 1.00 0.00 H new ATOM 409 N GLY A 401 -3.979 -30.997 -3.852 1.00 0.00 N ATOM 410 CA GLY A 401 -4.884 -31.895 -3.149 1.00 0.00 C ATOM 411 C GLY A 401 -4.266 -33.275 -2.941 1.00 0.00 C ATOM 412 O GLY A 401 -4.947 -34.292 -3.045 1.00 0.00 O ATOM 0 H GLY A 401 -3.647 -30.217 -3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.145 -31.464 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -5.810 -31.993 -3.715 1.00 0.00 H new ATOM 416 N ASN A 402 -2.964 -33.295 -2.636 1.00 0.00 N ATOM 417 CA ASN A 402 -2.177 -34.494 -2.373 1.00 0.00 C ATOM 418 C ASN A 402 -1.333 -34.227 -1.125 1.00 0.00 C ATOM 419 O ASN A 402 -0.186 -34.660 -1.044 1.00 0.00 O ATOM 420 CB ASN A 402 -1.286 -34.808 -3.589 1.00 0.00 C ATOM 421 CG ASN A 402 -2.044 -35.473 -4.734 1.00 0.00 C ATOM 422 OD1 ASN A 402 -1.978 -36.691 -4.884 1.00 0.00 O ATOM 423 ND2 ASN A 402 -2.744 -34.695 -5.558 1.00 0.00 N ATOM 0 H ASN A 402 -2.412 -32.440 -2.564 1.00 0.00 H new ATOM 0 HA ASN A 402 -2.820 -35.358 -2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -0.835 -33.883 -3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -0.470 -35.459 -3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -3.247 -35.107 -6.344 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -2.777 -33.687 -5.403 1.00 0.00 H new ATOM 430 N TRP A 403 -1.888 -33.497 -0.150 1.00 0.00 N ATOM 431 CA TRP A 403 -1.166 -33.137 1.063 1.00 0.00 C ATOM 432 C TRP A 403 -0.714 -34.371 1.838 1.00 0.00 C ATOM 433 O TRP A 403 0.397 -34.370 2.357 1.00 0.00 O ATOM 434 CB TRP A 403 -1.930 -32.123 1.914 1.00 0.00 C ATOM 435 CG TRP A 403 -2.751 -31.153 1.129 1.00 0.00 C ATOM 436 CD1 TRP A 403 -4.100 -31.145 1.059 1.00 0.00 C ATOM 437 CD2 TRP A 403 -2.298 -30.055 0.286 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.516 -30.123 0.234 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.445 -29.418 -0.268 1.00 0.00 C ATOM 440 CE3 TRP A 403 -1.036 -29.532 -0.072 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -3.350 -28.316 -1.128 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.930 -28.425 -0.933 1.00 0.00 C ATOM 443 CH2 TRP A 403 -2.082 -27.820 -1.456 1.00 0.00 C ATOM 0 H TRP A 403 -2.844 -33.144 -0.185 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.253 -32.624 0.760 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.584 -32.662 2.600 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.217 -31.567 2.523 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.753 -31.835 1.572 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.492 -29.915 0.022 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -0.140 -29.989 0.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -4.240 -27.856 -1.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.044 -28.039 -1.193 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.991 -26.969 -2.114 1.00 0.00 H new ATOM 454 N SER A 404 -1.534 -35.428 1.901 1.00 0.00 N ATOM 455 CA SER A 404 -1.159 -36.663 2.582 1.00 0.00 C ATOM 456 C SER A 404 0.124 -37.225 1.954 1.00 0.00 C ATOM 457 O SER A 404 1.113 -37.473 2.644 1.00 0.00 O ATOM 458 CB SER A 404 -2.320 -37.664 2.516 1.00 0.00 C ATOM 459 OG SER A 404 -1.974 -38.882 3.148 1.00 0.00 O ATOM 0 H SER A 404 -2.465 -35.447 1.485 1.00 0.00 H new ATOM 0 HA SER A 404 -0.955 -36.466 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 404 -3.201 -37.238 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 404 -2.584 -37.852 1.475 1.00 0.00 H new ATOM 0 HG SER A 404 -2.729 -39.504 3.095 1.00 0.00 H new ATOM 465 N LYS A 405 0.116 -37.415 0.628 1.00 0.00 N ATOM 466 CA LYS A 405 1.272 -37.922 -0.098 1.00 0.00 C ATOM 467 C LYS A 405 2.485 -37.029 0.162 1.00 0.00 C ATOM 468 O LYS A 405 3.554 -37.521 0.516 1.00 0.00 O ATOM 469 CB LYS A 405 0.974 -37.978 -1.603 1.00 0.00 C ATOM 470 CG LYS A 405 -0.035 -39.059 -2.018 1.00 0.00 C ATOM 471 CD LYS A 405 0.380 -40.499 -1.670 1.00 0.00 C ATOM 472 CE LYS A 405 1.848 -40.834 -1.978 1.00 0.00 C ATOM 473 NZ LYS A 405 2.223 -40.545 -3.375 1.00 0.00 N ATOM 0 H LYS A 405 -0.692 -37.220 0.037 1.00 0.00 H new ATOM 0 HA LYS A 405 1.491 -38.931 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.596 -37.006 -1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 405 1.908 -38.148 -2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -0.991 -38.846 -1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -0.195 -38.992 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 405 0.197 -40.670 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -0.260 -41.190 -2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 405 2.493 -40.265 -1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 405 2.026 -41.889 -1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 3.235 -40.310 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 2.034 -41.380 -3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 1.665 -39.740 -3.725 1.00 0.00 H new ATOM 487 N ILE A 406 2.308 -35.718 -0.014 1.00 0.00 N ATOM 488 CA ILE A 406 3.332 -34.703 0.182 1.00 0.00 C ATOM 489 C ILE A 406 3.950 -34.816 1.584 1.00 0.00 C ATOM 490 O ILE A 406 5.172 -34.790 1.706 1.00 0.00 O ATOM 491 CB ILE A 406 2.728 -33.330 -0.173 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.588 -33.241 -1.706 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.529 -32.150 0.380 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.743 -32.058 -2.191 1.00 0.00 C ATOM 0 H ILE A 406 1.414 -35.325 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 406 4.180 -34.849 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 406 1.751 -33.257 0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.582 -33.168 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 406 2.143 -34.166 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.047 -31.216 0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 406 3.571 -32.216 1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.541 -32.176 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.694 -32.068 -3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.736 -32.138 -1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.197 -31.125 -1.857 1.00 0.00 H new ATOM 506 N LEU A 407 3.132 -34.969 2.634 1.00 0.00 N ATOM 507 CA LEU A 407 3.594 -35.129 4.011 1.00 0.00 C ATOM 508 C LEU A 407 4.481 -36.369 4.131 1.00 0.00 C ATOM 509 O LEU A 407 5.517 -36.329 4.792 1.00 0.00 O ATOM 510 CB LEU A 407 2.401 -35.266 4.974 1.00 0.00 C ATOM 511 CG LEU A 407 1.705 -33.936 5.287 1.00 0.00 C ATOM 512 CD1 LEU A 407 0.291 -34.191 5.821 1.00 0.00 C ATOM 513 CD2 LEU A 407 2.487 -33.133 6.333 1.00 0.00 C ATOM 0 H LEU A 407 2.116 -34.985 2.545 1.00 0.00 H new ATOM 0 HA LEU A 407 4.168 -34.242 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 407 1.674 -35.953 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 407 2.747 -35.713 5.906 1.00 0.00 H new ATOM 0 HG LEU A 407 1.658 -33.364 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -0.193 -33.239 6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -0.289 -34.729 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 407 0.348 -34.786 6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 407 1.969 -32.195 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 407 2.562 -33.711 7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 407 3.487 -32.921 5.956 1.00 0.00 H new ATOM 525 N LEU A 408 4.078 -37.478 3.499 1.00 0.00 N ATOM 526 CA LEU A 408 4.848 -38.712 3.556 1.00 0.00 C ATOM 527 C LEU A 408 6.185 -38.573 2.824 1.00 0.00 C ATOM 528 O LEU A 408 7.226 -38.919 3.385 1.00 0.00 O ATOM 529 CB LEU A 408 4.022 -39.898 3.025 1.00 0.00 C ATOM 530 CG LEU A 408 3.248 -40.677 4.106 1.00 0.00 C ATOM 531 CD1 LEU A 408 4.188 -41.466 5.029 1.00 0.00 C ATOM 532 CD2 LEU A 408 2.317 -39.790 4.939 1.00 0.00 C ATOM 0 H LEU A 408 3.224 -37.539 2.945 1.00 0.00 H new ATOM 0 HA LEU A 408 5.081 -38.916 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 408 3.313 -39.527 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 408 4.690 -40.587 2.508 1.00 0.00 H new ATOM 0 HG LEU A 408 2.622 -41.382 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 408 3.601 -42.000 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 408 4.761 -42.181 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 408 4.870 -40.778 5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 408 1.802 -40.399 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 408 2.902 -39.021 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 408 1.584 -39.318 4.286 1.00 0.00 H new ATOM 544 N HIS A 409 6.164 -38.082 1.581 1.00 0.00 N ATOM 545 CA HIS A 409 7.357 -37.909 0.766 1.00 0.00 C ATOM 546 C HIS A 409 8.337 -36.917 1.395 1.00 0.00 C ATOM 547 O HIS A 409 9.488 -37.266 1.647 1.00 0.00 O ATOM 548 CB HIS A 409 6.966 -37.463 -0.649 1.00 0.00 C ATOM 549 CG HIS A 409 6.298 -38.541 -1.464 1.00 0.00 C ATOM 550 ND1 HIS A 409 6.947 -39.712 -1.824 1.00 0.00 N ATOM 551 CD2 HIS A 409 5.039 -38.647 -2.005 1.00 0.00 C ATOM 552 CE1 HIS A 409 6.080 -40.447 -2.540 1.00 0.00 C ATOM 553 NE2 HIS A 409 4.894 -39.852 -2.689 1.00 0.00 N ATOM 0 H HIS A 409 5.305 -37.792 1.113 1.00 0.00 H new ATOM 0 HA HIS A 409 7.866 -38.871 0.709 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.296 -36.606 -0.578 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.860 -37.125 -1.173 1.00 0.00 H new ATOM 0 HD1 HIS A 409 7.906 -39.968 -1.589 1.00 0.00 H new ATOM 0 HD2 HIS A 409 4.267 -37.898 -1.912 1.00 0.00 H new ATOM 0 HE1 HIS A 409 6.317 -41.417 -2.952 1.00 0.00 H new ATOM 561 N TYR A 410 7.882 -35.684 1.635 1.00 0.00 N ATOM 562 CA TYR A 410 8.674 -34.613 2.206 1.00 0.00 C ATOM 563 C TYR A 410 8.317 -34.521 3.684 1.00 0.00 C ATOM 564 O TYR A 410 7.229 -34.076 4.034 1.00 0.00 O ATOM 565 CB TYR A 410 8.373 -33.312 1.457 1.00 0.00 C ATOM 566 CG TYR A 410 8.459 -33.431 -0.055 1.00 0.00 C ATOM 567 CD1 TYR A 410 9.695 -33.321 -0.723 1.00 0.00 C ATOM 568 CD2 TYR A 410 7.288 -33.653 -0.797 1.00 0.00 C ATOM 569 CE1 TYR A 410 9.751 -33.425 -2.125 1.00 0.00 C ATOM 570 CE2 TYR A 410 7.346 -33.763 -2.193 1.00 0.00 C ATOM 571 CZ TYR A 410 8.574 -33.646 -2.862 1.00 0.00 C ATOM 572 OH TYR A 410 8.615 -33.747 -4.224 1.00 0.00 O ATOM 0 H TYR A 410 6.923 -35.405 1.428 1.00 0.00 H new ATOM 0 HA TYR A 410 9.744 -34.800 2.111 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.373 -32.973 1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 410 9.071 -32.544 1.790 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.601 -33.157 -0.158 1.00 0.00 H new ATOM 0 HD2 TYR A 410 6.338 -33.739 -0.290 1.00 0.00 H new ATOM 0 HE1 TYR A 410 10.699 -33.335 -2.635 1.00 0.00 H new ATOM 0 HE2 TYR A 410 6.442 -33.939 -2.756 1.00 0.00 H new ATOM 0 HH TYR A 410 7.725 -33.980 -4.562 1.00 0.00 H new ATOM 582 N LYS A 411 9.227 -34.965 4.550 1.00 0.00 N ATOM 583 CA LYS A 411 9.018 -34.978 5.986 1.00 0.00 C ATOM 584 C LYS A 411 9.344 -33.604 6.577 1.00 0.00 C ATOM 585 O LYS A 411 10.457 -33.368 7.042 1.00 0.00 O ATOM 586 CB LYS A 411 9.823 -36.136 6.595 1.00 0.00 C ATOM 587 CG LYS A 411 9.437 -37.456 5.905 1.00 0.00 C ATOM 588 CD LYS A 411 10.073 -38.665 6.601 1.00 0.00 C ATOM 589 CE LYS A 411 9.916 -39.944 5.764 1.00 0.00 C ATOM 590 NZ LYS A 411 8.508 -40.242 5.437 1.00 0.00 N ATOM 0 H LYS A 411 10.137 -35.328 4.266 1.00 0.00 H new ATOM 0 HA LYS A 411 7.972 -35.159 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.891 -35.951 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 411 9.628 -36.204 7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 411 8.352 -37.564 5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 411 9.753 -37.428 4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 411 11.131 -38.471 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 411 9.610 -38.809 7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 411 10.485 -39.841 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.344 -40.785 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 8.419 -41.242 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 7.911 -40.053 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 8.201 -39.641 4.646 1.00 0.00 H new ATOM 604 N PHE A 412 8.352 -32.703 6.546 1.00 0.00 N ATOM 605 CA PHE A 412 8.429 -31.339 7.052 1.00 0.00 C ATOM 606 C PHE A 412 8.710 -31.309 8.560 1.00 0.00 C ATOM 607 O PHE A 412 8.664 -32.339 9.230 1.00 0.00 O ATOM 608 CB PHE A 412 7.096 -30.625 6.785 1.00 0.00 C ATOM 609 CG PHE A 412 6.657 -30.494 5.338 1.00 0.00 C ATOM 610 CD1 PHE A 412 5.958 -31.537 4.708 1.00 0.00 C ATOM 611 CD2 PHE A 412 6.938 -29.321 4.616 1.00 0.00 C ATOM 612 CE1 PHE A 412 5.554 -31.414 3.369 1.00 0.00 C ATOM 613 CE2 PHE A 412 6.528 -29.194 3.278 1.00 0.00 C ATOM 614 CZ PHE A 412 5.838 -30.240 2.646 1.00 0.00 C ATOM 0 H PHE A 412 7.438 -32.921 6.149 1.00 0.00 H new ATOM 0 HA PHE A 412 9.249 -30.837 6.539 1.00 0.00 H new ATOM 0 HB2 PHE A 412 6.314 -31.155 7.329 1.00 0.00 H new ATOM 0 HB3 PHE A 412 7.158 -29.624 7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 412 5.730 -32.439 5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 412 7.472 -28.512 5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 412 5.023 -32.224 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 412 6.745 -28.287 2.733 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.528 -30.145 1.616 1.00 0.00 H new ATOM 624 N ASN A 413 8.987 -30.112 9.098 1.00 0.00 N ATOM 625 CA ASN A 413 9.271 -29.915 10.517 1.00 0.00 C ATOM 626 C ASN A 413 8.084 -30.374 11.368 1.00 0.00 C ATOM 627 O ASN A 413 8.217 -31.282 12.185 1.00 0.00 O ATOM 628 CB ASN A 413 9.600 -28.445 10.819 1.00 0.00 C ATOM 629 CG ASN A 413 10.717 -27.892 9.943 1.00 0.00 C ATOM 630 OD1 ASN A 413 11.894 -28.101 10.221 1.00 0.00 O ATOM 631 ND2 ASN A 413 10.347 -27.171 8.885 1.00 0.00 N ATOM 0 H ASN A 413 9.019 -29.251 8.552 1.00 0.00 H new ATOM 0 HA ASN A 413 10.143 -30.518 10.770 1.00 0.00 H new ATOM 0 HB2 ASN A 413 8.703 -27.842 10.678 1.00 0.00 H new ATOM 0 HB3 ASN A 413 9.887 -28.351 11.866 1.00 0.00 H new ATOM 0 HD21 ASN A 413 11.054 -26.768 8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 413 9.357 -27.022 8.691 1.00 0.00 H new ATOM 638 N ASN A 414 6.924 -29.738 11.170 1.00 0.00 N ATOM 639 CA ASN A 414 5.694 -30.040 11.891 1.00 0.00 C ATOM 640 C ASN A 414 4.528 -29.486 11.072 1.00 0.00 C ATOM 641 O ASN A 414 3.998 -28.422 11.389 1.00 0.00 O ATOM 642 CB ASN A 414 5.764 -29.432 13.302 1.00 0.00 C ATOM 643 CG ASN A 414 4.476 -29.643 14.095 1.00 0.00 C ATOM 644 OD1 ASN A 414 3.794 -28.685 14.447 1.00 0.00 O ATOM 645 ND2 ASN A 414 4.141 -30.899 14.394 1.00 0.00 N ATOM 0 H ASN A 414 6.818 -28.985 10.490 1.00 0.00 H new ATOM 0 HA ASN A 414 5.553 -31.113 12.017 1.00 0.00 H new ATOM 0 HB2 ASN A 414 6.598 -29.877 13.845 1.00 0.00 H new ATOM 0 HB3 ASN A 414 5.968 -28.364 13.224 1.00 0.00 H new ATOM 0 HD21 ASN A 414 3.295 -31.087 14.931 1.00 0.00 H new ATOM 0 HD22 ASN A 414 4.731 -31.672 14.085 1.00 0.00 H new ATOM 652 N ARG A 415 4.146 -30.201 10.007 1.00 0.00 N ATOM 653 CA ARG A 415 3.077 -29.801 9.102 1.00 0.00 C ATOM 654 C ARG A 415 1.947 -30.822 9.052 1.00 0.00 C ATOM 655 O ARG A 415 2.097 -31.963 9.483 1.00 0.00 O ATOM 656 CB ARG A 415 3.649 -29.534 7.702 1.00 0.00 C ATOM 657 CG ARG A 415 4.718 -28.433 7.707 1.00 0.00 C ATOM 658 CD ARG A 415 4.134 -27.096 8.151 1.00 0.00 C ATOM 659 NE ARG A 415 5.139 -26.033 8.121 1.00 0.00 N ATOM 660 CZ ARG A 415 4.913 -24.803 8.600 1.00 0.00 C ATOM 661 NH1 ARG A 415 3.730 -24.509 9.157 1.00 0.00 N ATOM 662 NH2 ARG A 415 5.871 -23.882 8.511 1.00 0.00 N ATOM 0 H ARG A 415 4.582 -31.087 9.751 1.00 0.00 H new ATOM 0 HA ARG A 415 2.641 -28.880 9.488 1.00 0.00 H new ATOM 0 HB2 ARG A 415 4.081 -30.454 7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.840 -29.248 7.030 1.00 0.00 H new ATOM 0 HG2 ARG A 415 5.532 -28.716 8.374 1.00 0.00 H new ATOM 0 HG3 ARG A 415 5.144 -28.333 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 415 3.301 -26.828 7.501 1.00 0.00 H new ATOM 0 HD3 ARG A 415 3.733 -27.190 9.160 1.00 0.00 H new ATOM 0 HE ARG A 415 6.053 -26.238 7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.003 -25.222 9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 415 3.557 -23.572 9.522 1.00 0.00 H new ATOM 0 HH21 ARG A 415 6.766 -24.117 8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 415 5.710 -22.942 8.872 1.00 0.00 H new ATOM 676 N THR A 416 0.811 -30.366 8.519 1.00 0.00 N ATOM 677 CA THR A 416 -0.427 -31.100 8.353 1.00 0.00 C ATOM 678 C THR A 416 -1.088 -30.632 7.060 1.00 0.00 C ATOM 679 O THR A 416 -0.660 -29.642 6.463 1.00 0.00 O ATOM 680 CB THR A 416 -1.373 -30.768 9.519 1.00 0.00 C ATOM 681 OG1 THR A 416 -1.700 -29.387 9.484 1.00 0.00 O ATOM 682 CG2 THR A 416 -0.776 -31.128 10.882 1.00 0.00 C ATOM 0 H THR A 416 0.736 -29.410 8.172 1.00 0.00 H new ATOM 0 HA THR A 416 -0.225 -32.171 8.327 1.00 0.00 H new ATOM 0 HB THR A 416 -2.271 -31.373 9.394 1.00 0.00 H new ATOM 0 HG1 THR A 416 -2.304 -29.175 10.226 1.00 0.00 H new ATOM 0 HG21 THR A 416 -1.486 -30.873 11.669 1.00 0.00 H new ATOM 0 HG22 THR A 416 -0.565 -32.197 10.916 1.00 0.00 H new ATOM 0 HG23 THR A 416 0.149 -30.571 11.033 1.00 0.00 H new ATOM 690 N SER A 417 -2.156 -31.326 6.655 1.00 0.00 N ATOM 691 CA SER A 417 -2.945 -30.984 5.484 1.00 0.00 C ATOM 692 C SER A 417 -3.375 -29.519 5.579 1.00 0.00 C ATOM 693 O SER A 417 -3.286 -28.778 4.604 1.00 0.00 O ATOM 694 CB SER A 417 -4.166 -31.908 5.433 1.00 0.00 C ATOM 695 OG SER A 417 -3.759 -33.241 5.653 1.00 0.00 O ATOM 0 H SER A 417 -2.496 -32.154 7.145 1.00 0.00 H new ATOM 0 HA SER A 417 -2.361 -31.114 4.573 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.893 -31.609 6.189 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.659 -31.823 4.465 1.00 0.00 H new ATOM 0 HG SER A 417 -4.541 -33.831 5.622 1.00 0.00 H new ATOM 701 N VAL A 418 -3.824 -29.110 6.774 1.00 0.00 N ATOM 702 CA VAL A 418 -4.251 -27.755 7.079 1.00 0.00 C ATOM 703 C VAL A 418 -3.116 -26.777 6.769 1.00 0.00 C ATOM 704 O VAL A 418 -3.285 -25.906 5.919 1.00 0.00 O ATOM 705 CB VAL A 418 -4.728 -27.667 8.541 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.132 -26.234 8.909 1.00 0.00 C ATOM 707 CG2 VAL A 418 -5.933 -28.590 8.773 1.00 0.00 C ATOM 0 H VAL A 418 -3.899 -29.739 7.573 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.099 -27.479 6.452 1.00 0.00 H new ATOM 0 HB VAL A 418 -3.895 -27.979 9.171 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -5.464 -26.205 9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.276 -25.571 8.783 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -5.943 -25.906 8.259 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.255 -28.514 9.812 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -6.751 -28.293 8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -5.650 -29.620 8.556 1.00 0.00 H new ATOM 717 N MET A 419 -1.972 -26.930 7.448 1.00 0.00 N ATOM 718 CA MET A 419 -0.819 -26.055 7.257 1.00 0.00 C ATOM 719 C MET A 419 -0.434 -25.919 5.777 1.00 0.00 C ATOM 720 O MET A 419 -0.274 -24.809 5.268 1.00 0.00 O ATOM 721 CB MET A 419 0.380 -26.591 8.048 1.00 0.00 C ATOM 722 CG MET A 419 0.177 -26.632 9.566 1.00 0.00 C ATOM 723 SD MET A 419 0.355 -25.031 10.384 1.00 0.00 S ATOM 724 CE MET A 419 0.320 -25.572 12.108 1.00 0.00 C ATOM 0 H MET A 419 -1.824 -27.663 8.142 1.00 0.00 H new ATOM 0 HA MET A 419 -1.098 -25.066 7.622 1.00 0.00 H new ATOM 0 HB2 MET A 419 0.608 -27.598 7.698 1.00 0.00 H new ATOM 0 HB3 MET A 419 1.250 -25.972 7.828 1.00 0.00 H new ATOM 0 HG2 MET A 419 -0.817 -27.026 9.777 1.00 0.00 H new ATOM 0 HG3 MET A 419 0.895 -27.329 9.998 1.00 0.00 H new ATOM 0 HE1 MET A 419 0.419 -24.706 12.763 1.00 0.00 H new ATOM 0 HE2 MET A 419 -0.625 -26.076 12.312 1.00 0.00 H new ATOM 0 HE3 MET A 419 1.145 -26.261 12.290 1.00 0.00 H new ATOM 734 N LEU A 420 -0.277 -27.060 5.097 1.00 0.00 N ATOM 735 CA LEU A 420 0.108 -27.125 3.693 1.00 0.00 C ATOM 736 C LEU A 420 -0.883 -26.369 2.812 1.00 0.00 C ATOM 737 O LEU A 420 -0.471 -25.514 2.025 1.00 0.00 O ATOM 738 CB LEU A 420 0.257 -28.589 3.263 1.00 0.00 C ATOM 739 CG LEU A 420 1.488 -29.224 3.927 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.353 -30.740 4.009 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.764 -28.938 3.134 1.00 0.00 C ATOM 0 H LEU A 420 -0.418 -27.978 5.519 1.00 0.00 H new ATOM 0 HA LEU A 420 1.073 -26.634 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.639 -29.147 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.351 -28.648 2.179 1.00 0.00 H new ATOM 0 HG LEU A 420 1.550 -28.786 4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 420 2.240 -31.159 4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.472 -30.996 4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.251 -31.151 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.614 -29.402 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.666 -29.346 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.922 -27.861 3.075 1.00 0.00 H new ATOM 753 N LYS A 421 -2.181 -26.671 2.954 1.00 0.00 N ATOM 754 CA LYS A 421 -3.225 -25.998 2.196 1.00 0.00 C ATOM 755 C LYS A 421 -3.104 -24.498 2.382 1.00 0.00 C ATOM 756 O LYS A 421 -3.032 -23.774 1.402 1.00 0.00 O ATOM 757 CB LYS A 421 -4.621 -26.382 2.693 1.00 0.00 C ATOM 758 CG LYS A 421 -5.126 -27.693 2.117 1.00 0.00 C ATOM 759 CD LYS A 421 -6.579 -27.934 2.527 1.00 0.00 C ATOM 760 CE LYS A 421 -6.811 -27.890 4.046 1.00 0.00 C ATOM 761 NZ LYS A 421 -7.221 -26.545 4.524 1.00 0.00 N ATOM 0 H LYS A 421 -2.527 -27.385 3.595 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.102 -26.295 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.605 -26.454 3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -5.321 -25.587 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -5.047 -27.674 1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -4.502 -28.515 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -7.210 -27.184 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -6.897 -28.905 2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -7.579 -28.616 4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -5.897 -28.190 4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -6.685 -26.303 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.028 -25.840 3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -8.238 -26.549 4.741 1.00 0.00 H new ATOM 775 N ASP A 422 -3.111 -24.041 3.635 1.00 0.00 N ATOM 776 CA ASP A 422 -3.050 -22.632 3.983 1.00 0.00 C ATOM 777 C ASP A 422 -1.886 -21.921 3.301 1.00 0.00 C ATOM 778 O ASP A 422 -2.097 -20.910 2.633 1.00 0.00 O ATOM 779 CB ASP A 422 -2.992 -22.477 5.502 1.00 0.00 C ATOM 780 CG ASP A 422 -4.198 -23.091 6.207 1.00 0.00 C ATOM 781 OD1 ASP A 422 -5.264 -23.201 5.559 1.00 0.00 O ATOM 782 OD2 ASP A 422 -4.036 -23.447 7.394 1.00 0.00 O ATOM 0 H ASP A 422 -3.160 -24.656 4.447 1.00 0.00 H new ATOM 0 HA ASP A 422 -3.957 -22.151 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -2.081 -22.945 5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -2.931 -21.418 5.752 1.00 0.00 H new ATOM 787 N ARG A 423 -0.665 -22.440 3.458 1.00 0.00 N ATOM 788 CA ARG A 423 0.513 -21.843 2.843 1.00 0.00 C ATOM 789 C ARG A 423 0.336 -21.732 1.330 1.00 0.00 C ATOM 790 O ARG A 423 0.484 -20.651 0.758 1.00 0.00 O ATOM 791 CB ARG A 423 1.758 -22.674 3.184 1.00 0.00 C ATOM 792 CG ARG A 423 3.021 -22.219 2.432 1.00 0.00 C ATOM 793 CD ARG A 423 3.462 -20.806 2.827 1.00 0.00 C ATOM 794 NE ARG A 423 4.676 -20.410 2.099 1.00 0.00 N ATOM 795 CZ ARG A 423 5.044 -19.145 1.838 1.00 0.00 C ATOM 796 NH1 ARG A 423 4.449 -18.117 2.451 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.014 -18.904 0.950 1.00 0.00 N ATOM 0 H ARG A 423 -0.471 -23.276 4.009 1.00 0.00 H new ATOM 0 HA ARG A 423 0.643 -20.836 3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 423 1.942 -22.616 4.257 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.562 -23.721 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 423 3.832 -22.919 2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 423 2.832 -22.251 1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 423 2.660 -20.099 2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 423 3.648 -20.766 3.900 1.00 0.00 H new ATOM 0 HE ARG A 423 5.288 -21.155 1.766 1.00 0.00 H new ATOM 0 HH11 ARG A 423 3.705 -18.288 3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 423 4.739 -17.162 2.243 1.00 0.00 H new ATOM 0 HH21 ARG A 423 6.473 -19.680 0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.295 -17.944 0.750 1.00 0.00 H new ATOM 811 N TRP A 424 0.030 -22.859 0.682 1.00 0.00 N ATOM 812 CA TRP A 424 -0.136 -22.917 -0.758 1.00 0.00 C ATOM 813 C TRP A 424 -1.286 -22.033 -1.248 1.00 0.00 C ATOM 814 O TRP A 424 -1.217 -21.467 -2.334 1.00 0.00 O ATOM 815 CB TRP A 424 -0.330 -24.375 -1.159 1.00 0.00 C ATOM 816 CG TRP A 424 -0.164 -24.630 -2.616 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.167 -24.899 -3.473 1.00 0.00 C ATOM 818 CD2 TRP A 424 1.057 -24.642 -3.411 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.666 -25.091 -4.741 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.706 -24.939 -4.760 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.425 -24.432 -3.131 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.667 -25.024 -5.776 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.396 -24.516 -4.146 1.00 0.00 C ATOM 824 CH2 TRP A 424 3.019 -24.813 -5.467 1.00 0.00 C ATOM 0 H TRP A 424 -0.108 -23.755 1.150 1.00 0.00 H new ATOM 0 HA TRP A 424 0.759 -22.520 -1.238 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.383 -24.990 -0.610 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.327 -24.695 -0.856 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.212 -24.956 -3.205 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -1.233 -25.316 -5.558 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.731 -24.203 -2.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 1.369 -25.250 -6.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.437 -24.351 -3.909 1.00 0.00 H new ATOM 0 HH2 TRP A 424 3.768 -24.879 -6.242 1.00 0.00 H new ATOM 835 N ARG A 425 -2.341 -21.907 -0.443 1.00 0.00 N ATOM 836 CA ARG A 425 -3.521 -21.107 -0.718 1.00 0.00 C ATOM 837 C ARG A 425 -3.116 -19.635 -0.714 1.00 0.00 C ATOM 838 O ARG A 425 -3.484 -18.896 -1.628 1.00 0.00 O ATOM 839 CB ARG A 425 -4.603 -21.477 0.302 1.00 0.00 C ATOM 840 CG ARG A 425 -5.942 -20.771 0.097 1.00 0.00 C ATOM 841 CD ARG A 425 -7.046 -21.559 0.816 1.00 0.00 C ATOM 842 NE ARG A 425 -6.765 -21.752 2.255 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.451 -21.215 3.279 1.00 0.00 C ATOM 844 NH1 ARG A 425 -8.398 -20.299 3.060 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.202 -21.601 4.538 1.00 0.00 N ATOM 0 H ARG A 425 -2.393 -22.384 0.457 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.947 -21.304 -1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.766 -22.554 0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -4.235 -21.246 1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.893 -19.754 0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -6.167 -20.695 -0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.994 -21.034 0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -7.162 -22.532 0.339 1.00 0.00 H new ATOM 0 HE ARG A 425 -5.974 -22.350 2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -8.608 -20.000 2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -8.912 -19.899 3.845 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -6.489 -22.306 4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -7.726 -21.190 5.311 1.00 0.00 H new ATOM 859 N THR A 426 -2.329 -19.213 0.286 1.00 0.00 N ATOM 860 CA THR A 426 -1.823 -17.849 0.348 1.00 0.00 C ATOM 861 C THR A 426 -1.002 -17.597 -0.918 1.00 0.00 C ATOM 862 O THR A 426 -1.219 -16.595 -1.589 1.00 0.00 O ATOM 863 CB THR A 426 -0.989 -17.619 1.619 1.00 0.00 C ATOM 864 OG1 THR A 426 -1.775 -17.895 2.760 1.00 0.00 O ATOM 865 CG2 THR A 426 -0.503 -16.167 1.703 1.00 0.00 C ATOM 0 H THR A 426 -2.033 -19.805 1.062 1.00 0.00 H new ATOM 0 HA THR A 426 -2.652 -17.143 0.397 1.00 0.00 H new ATOM 0 HB THR A 426 -0.126 -18.283 1.580 1.00 0.00 H new ATOM 0 HG1 THR A 426 -1.930 -18.861 2.825 1.00 0.00 H new ATOM 0 HG21 THR A 426 0.084 -16.032 2.611 1.00 0.00 H new ATOM 0 HG22 THR A 426 0.115 -15.939 0.834 1.00 0.00 H new ATOM 0 HG23 THR A 426 -1.362 -15.496 1.723 1.00 0.00 H new ATOM 873 N MET A 427 -0.082 -18.512 -1.257 1.00 0.00 N ATOM 874 CA MET A 427 0.744 -18.397 -2.454 1.00 0.00 C ATOM 875 C MET A 427 -0.110 -18.237 -3.716 1.00 0.00 C ATOM 876 O MET A 427 0.144 -17.342 -4.522 1.00 0.00 O ATOM 877 CB MET A 427 1.693 -19.598 -2.569 1.00 0.00 C ATOM 878 CG MET A 427 2.880 -19.508 -1.599 1.00 0.00 C ATOM 879 SD MET A 427 3.890 -18.001 -1.697 1.00 0.00 S ATOM 880 CE MET A 427 4.165 -17.925 -3.486 1.00 0.00 C ATOM 0 H MET A 427 0.105 -19.349 -0.706 1.00 0.00 H new ATOM 0 HA MET A 427 1.347 -17.494 -2.361 1.00 0.00 H new ATOM 0 HB2 MET A 427 1.138 -20.515 -2.373 1.00 0.00 H new ATOM 0 HB3 MET A 427 2.068 -19.664 -3.591 1.00 0.00 H new ATOM 0 HG2 MET A 427 2.498 -19.598 -0.582 1.00 0.00 H new ATOM 0 HG3 MET A 427 3.529 -20.366 -1.773 1.00 0.00 H new ATOM 0 HE1 MET A 427 4.912 -17.163 -3.707 1.00 0.00 H new ATOM 0 HE2 MET A 427 4.518 -18.893 -3.841 1.00 0.00 H new ATOM 0 HE3 MET A 427 3.231 -17.673 -3.987 1.00 0.00 H new ATOM 890 N LYS A 428 -1.126 -19.090 -3.885 1.00 0.00 N ATOM 891 CA LYS A 428 -2.035 -19.037 -5.020 1.00 0.00 C ATOM 892 C LYS A 428 -2.712 -17.666 -5.122 1.00 0.00 C ATOM 893 O LYS A 428 -2.776 -17.090 -6.203 1.00 0.00 O ATOM 894 CB LYS A 428 -3.066 -20.172 -4.947 1.00 0.00 C ATOM 895 CG LYS A 428 -2.409 -21.486 -5.381 1.00 0.00 C ATOM 896 CD LYS A 428 -3.303 -22.704 -5.143 1.00 0.00 C ATOM 897 CE LYS A 428 -4.559 -22.736 -6.023 1.00 0.00 C ATOM 898 NZ LYS A 428 -5.119 -24.099 -6.074 1.00 0.00 N ATOM 0 H LYS A 428 -1.337 -19.841 -3.228 1.00 0.00 H new ATOM 0 HA LYS A 428 -1.451 -19.179 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -3.451 -20.263 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -3.916 -19.948 -5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -2.156 -21.428 -6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -1.474 -21.616 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -2.723 -23.609 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -3.605 -22.722 -4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -5.304 -22.045 -5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -4.313 -22.399 -7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -6.061 -24.071 -6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -4.493 -24.711 -6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -5.198 -24.478 -5.109 1.00 0.00 H new ATOM 912 N LYS A 429 -3.214 -17.126 -4.008 1.00 0.00 N ATOM 913 CA LYS A 429 -3.857 -15.817 -4.023 1.00 0.00 C ATOM 914 C LYS A 429 -2.839 -14.687 -4.235 1.00 0.00 C ATOM 915 O LYS A 429 -3.169 -13.674 -4.847 1.00 0.00 O ATOM 916 CB LYS A 429 -4.662 -15.605 -2.734 1.00 0.00 C ATOM 917 CG LYS A 429 -5.860 -16.565 -2.672 1.00 0.00 C ATOM 918 CD LYS A 429 -6.859 -16.200 -1.565 1.00 0.00 C ATOM 919 CE LYS A 429 -6.256 -16.323 -0.161 1.00 0.00 C ATOM 920 NZ LYS A 429 -7.276 -16.104 0.884 1.00 0.00 N ATOM 0 H LYS A 429 -3.186 -17.574 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 429 -4.544 -15.789 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -4.019 -15.763 -1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -5.014 -14.574 -2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -6.373 -16.561 -3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -5.498 -17.580 -2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -7.208 -15.179 -1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -7.731 -16.849 -1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -5.814 -17.312 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -5.451 -15.597 -0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -6.837 -16.194 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -7.680 -15.151 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -8.031 -16.812 0.786 1.00 0.00 H new