USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=15 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 405 LYS NZ :NH3+ 174:sc= 1.32 (180deg=0) USER MOD Set 1.2: A 409 HIS : no HE2:sc= 1 K(o=2.3,f=-11!) USER MOD Set 2.1: A 397 LYS NZ :NH3+ -176:sc= 1.09 (180deg=0) USER MOD Set 2.2: A 398 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 410 TYR OH : rot 30:sc= 0.936 USER MOD Single : A 381 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 389 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.16) USER MOD Single : A 390 ASN : amide:sc= -1.21 K(o=-1.2,f=-7.6!) USER MOD Single : A 393 SER OG : rot 180:sc= 0 USER MOD Single : A 402 ASN : amide:sc= 0.758 K(o=0.76,f=-0.21) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 ASN : amide:sc= -0.566 K(o=-0.57,f=-3.9!) USER MOD Single : A 414 ASN : amide:sc= -0.0843 X(o=-0.084,f=-0.067) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.28 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 419 MET CE :methyl -134:sc= 0 (180deg=-0.0518) USER MOD Single : A 421 LYS NZ :NH3+ 170:sc= -0.0202 (180deg=-0.28) USER MOD Single : A 426 THR OG1 : rot 180:sc= 0 USER MOD Single : A 427 MET CE :methyl 161:sc= -0.0124 (180deg=-0.744) USER MOD Single : A 428 LYS NZ :NH3+ 156:sc= 1.23 (180deg=-0.607!) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.625 -20.964 13.011 1.00 0.00 N ATOM 72 CA GLN A 381 6.740 -21.392 12.190 1.00 0.00 C ATOM 73 C GLN A 381 6.642 -20.766 10.801 1.00 0.00 C ATOM 74 O GLN A 381 6.108 -21.386 9.884 1.00 0.00 O ATOM 75 CB GLN A 381 6.800 -22.925 12.134 1.00 0.00 C ATOM 76 CG GLN A 381 6.941 -23.545 13.528 1.00 0.00 C ATOM 77 CD GLN A 381 7.286 -25.029 13.432 1.00 0.00 C ATOM 78 OE1 GLN A 381 6.488 -25.828 12.946 1.00 0.00 O ATOM 79 NE2 GLN A 381 8.482 -25.410 13.881 1.00 0.00 N ATOM 0 HA GLN A 381 7.673 -21.048 12.636 1.00 0.00 H new ATOM 0 HB2 GLN A 381 5.897 -23.306 11.657 1.00 0.00 H new ATOM 0 HB3 GLN A 381 7.642 -23.232 11.514 1.00 0.00 H new ATOM 0 HG2 GLN A 381 7.718 -23.022 14.086 1.00 0.00 H new ATOM 0 HG3 GLN A 381 6.011 -23.419 14.082 1.00 0.00 H new ATOM 0 HE21 GLN A 381 9.121 -24.721 14.279 1.00 0.00 H new ATOM 0 HE22 GLN A 381 8.758 -26.390 13.827 1.00 0.00 H new ATOM 88 N ALA A 382 7.179 -19.550 10.642 1.00 0.00 N ATOM 89 CA ALA A 382 7.211 -18.861 9.358 1.00 0.00 C ATOM 90 C ALA A 382 7.860 -19.809 8.351 1.00 0.00 C ATOM 91 O ALA A 382 8.951 -20.315 8.617 1.00 0.00 O ATOM 92 CB ALA A 382 8.005 -17.559 9.484 1.00 0.00 C ATOM 0 H ALA A 382 7.602 -19.021 11.404 1.00 0.00 H new ATOM 0 HA ALA A 382 6.207 -18.597 9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 382 8.024 -17.050 8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 382 7.532 -16.915 10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.025 -17.784 9.796 1.00 0.00 H new ATOM 98 N TRP A 383 7.198 -20.088 7.223 1.00 0.00 N ATOM 99 CA TRP A 383 7.759 -21.020 6.259 1.00 0.00 C ATOM 100 C TRP A 383 9.034 -20.430 5.657 1.00 0.00 C ATOM 101 O TRP A 383 9.094 -19.245 5.330 1.00 0.00 O ATOM 102 CB TRP A 383 6.742 -21.404 5.187 1.00 0.00 C ATOM 103 CG TRP A 383 5.551 -22.216 5.620 1.00 0.00 C ATOM 104 CD1 TRP A 383 4.655 -21.893 6.582 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.105 -23.504 5.103 1.00 0.00 C ATOM 106 NE1 TRP A 383 3.689 -22.869 6.689 1.00 0.00 N ATOM 107 CE2 TRP A 383 3.921 -23.893 5.799 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.576 -24.385 4.106 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.245 -25.090 5.524 1.00 0.00 C ATOM 110 CZ3 TRP A 383 4.913 -25.592 3.832 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.753 -25.943 4.539 1.00 0.00 C ATOM 0 H TRP A 383 6.295 -19.689 6.965 1.00 0.00 H new ATOM 0 HA TRP A 383 8.019 -21.944 6.775 1.00 0.00 H new ATOM 0 HB2 TRP A 383 6.375 -20.486 4.727 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.266 -21.962 4.411 1.00 0.00 H new ATOM 0 HD1 TRP A 383 4.692 -20.996 7.182 1.00 0.00 H new ATOM 0 HE1 TRP A 383 2.906 -22.837 7.341 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.461 -24.126 3.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.346 -25.349 6.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.299 -26.255 3.072 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.251 -26.874 4.322 1.00 0.00 H new ATOM 122 N LEU A 384 10.052 -21.283 5.541 1.00 0.00 N ATOM 123 CA LEU A 384 11.374 -20.968 5.021 1.00 0.00 C ATOM 124 C LEU A 384 11.560 -21.631 3.658 1.00 0.00 C ATOM 125 O LEU A 384 10.701 -22.404 3.226 1.00 0.00 O ATOM 126 CB LEU A 384 12.449 -21.419 6.026 1.00 0.00 C ATOM 127 CG LEU A 384 12.371 -22.915 6.398 1.00 0.00 C ATOM 128 CD1 LEU A 384 13.778 -23.513 6.495 1.00 0.00 C ATOM 129 CD2 LEU A 384 11.655 -23.118 7.742 1.00 0.00 C ATOM 0 H LEU A 384 9.968 -22.260 5.822 1.00 0.00 H new ATOM 0 HA LEU A 384 11.475 -19.891 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 384 13.434 -21.210 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 384 12.355 -20.824 6.934 1.00 0.00 H new ATOM 0 HG LEU A 384 11.805 -23.418 5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 384 13.707 -24.568 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 384 14.284 -23.411 5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 384 14.346 -22.985 7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 384 11.616 -24.182 7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 384 12.199 -22.593 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 384 10.641 -22.723 7.677 1.00 0.00 H new ATOM 141 N TRP A 385 12.686 -21.335 2.987 1.00 0.00 N ATOM 142 CA TRP A 385 12.978 -21.903 1.678 1.00 0.00 C ATOM 143 C TRP A 385 12.754 -23.399 1.659 1.00 0.00 C ATOM 144 O TRP A 385 12.102 -23.835 0.739 1.00 0.00 O ATOM 145 CB TRP A 385 14.413 -21.672 1.154 1.00 0.00 C ATOM 146 CG TRP A 385 15.441 -22.556 1.802 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.689 -22.471 3.105 1.00 0.00 C ATOM 148 CD2 TRP A 385 16.290 -23.645 1.331 1.00 0.00 C ATOM 149 NE1 TRP A 385 16.642 -23.369 3.515 1.00 0.00 N ATOM 150 CE2 TRP A 385 17.048 -24.133 2.445 1.00 0.00 C ATOM 151 CE3 TRP A 385 16.495 -24.290 0.098 1.00 0.00 C ATOM 152 CZ2 TRP A 385 17.960 -25.190 2.341 1.00 0.00 C ATOM 153 CZ3 TRP A 385 17.398 -25.364 -0.007 1.00 0.00 C ATOM 154 CH2 TRP A 385 18.132 -25.814 1.101 1.00 0.00 C ATOM 0 H TRP A 385 13.405 -20.703 3.338 1.00 0.00 H new ATOM 0 HA TRP A 385 12.287 -21.368 1.027 1.00 0.00 H new ATOM 0 HB2 TRP A 385 14.429 -21.840 0.077 1.00 0.00 H new ATOM 0 HB3 TRP A 385 14.687 -20.630 1.318 1.00 0.00 H new ATOM 0 HD1 TRP A 385 15.196 -21.774 3.766 1.00 0.00 H new ATOM 0 HE1 TRP A 385 16.996 -23.457 4.468 1.00 0.00 H new ATOM 0 HE3 TRP A 385 15.954 -23.958 -0.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 18.521 -25.518 3.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 17.529 -25.853 -0.961 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.825 -26.636 0.997 1.00 0.00 H new ATOM 165 N GLU A 386 13.301 -24.186 2.601 1.00 0.00 N ATOM 166 CA GLU A 386 13.210 -25.631 2.521 1.00 0.00 C ATOM 167 C GLU A 386 11.781 -26.159 2.643 1.00 0.00 C ATOM 168 O GLU A 386 11.435 -27.141 1.990 1.00 0.00 O ATOM 169 CB GLU A 386 14.311 -26.359 3.297 1.00 0.00 C ATOM 170 CG GLU A 386 14.477 -27.792 2.765 1.00 0.00 C ATOM 171 CD GLU A 386 15.896 -28.311 2.949 1.00 0.00 C ATOM 172 OE1 GLU A 386 16.384 -28.269 4.098 1.00 0.00 O ATOM 173 OE2 GLU A 386 16.468 -28.725 1.916 1.00 0.00 O ATOM 0 H GLU A 386 13.805 -23.837 3.416 1.00 0.00 H new ATOM 0 HA GLU A 386 13.455 -25.911 1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 386 15.252 -25.817 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 386 14.063 -26.384 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 386 13.780 -28.453 3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 386 14.217 -27.818 1.707 1.00 0.00 H new ATOM 180 N GLU A 387 10.941 -25.492 3.439 1.00 0.00 N ATOM 181 CA GLU A 387 9.545 -25.871 3.583 1.00 0.00 C ATOM 182 C GLU A 387 8.822 -25.570 2.261 1.00 0.00 C ATOM 183 O GLU A 387 8.132 -26.435 1.728 1.00 0.00 O ATOM 184 CB GLU A 387 8.912 -25.128 4.766 1.00 0.00 C ATOM 185 CG GLU A 387 9.474 -25.549 6.129 1.00 0.00 C ATOM 186 CD GLU A 387 8.854 -26.858 6.611 1.00 0.00 C ATOM 187 OE1 GLU A 387 7.795 -26.787 7.276 1.00 0.00 O ATOM 188 OE2 GLU A 387 9.442 -27.919 6.319 1.00 0.00 O ATOM 0 H GLU A 387 11.213 -24.681 3.995 1.00 0.00 H new ATOM 0 HA GLU A 387 9.458 -26.936 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 387 9.065 -24.057 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.836 -25.300 4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 387 10.556 -25.662 6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 387 9.283 -24.764 6.861 1.00 0.00 H new ATOM 195 N ASP A 388 8.988 -24.358 1.716 1.00 0.00 N ATOM 196 CA ASP A 388 8.370 -23.949 0.452 1.00 0.00 C ATOM 197 C ASP A 388 8.938 -24.726 -0.743 1.00 0.00 C ATOM 198 O ASP A 388 8.232 -25.016 -1.704 1.00 0.00 O ATOM 199 CB ASP A 388 8.577 -22.443 0.238 1.00 0.00 C ATOM 200 CG ASP A 388 7.835 -21.587 1.257 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.746 -22.011 1.695 1.00 0.00 O ATOM 202 OD2 ASP A 388 8.337 -20.484 1.560 1.00 0.00 O ATOM 0 H ASP A 388 9.559 -23.630 2.144 1.00 0.00 H new ATOM 0 HA ASP A 388 7.305 -24.174 0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.642 -22.218 0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 388 8.243 -22.175 -0.764 1.00 0.00 H new ATOM 207 N LYS A 389 10.226 -25.058 -0.669 1.00 0.00 N ATOM 208 CA LYS A 389 11.025 -25.799 -1.632 1.00 0.00 C ATOM 209 C LYS A 389 10.392 -27.189 -1.727 1.00 0.00 C ATOM 210 O LYS A 389 10.037 -27.649 -2.812 1.00 0.00 O ATOM 211 CB LYS A 389 12.495 -25.835 -1.134 1.00 0.00 C ATOM 212 CG LYS A 389 13.325 -26.943 -1.803 1.00 0.00 C ATOM 213 CD LYS A 389 14.799 -26.850 -1.388 1.00 0.00 C ATOM 214 CE LYS A 389 15.564 -28.160 -1.627 1.00 0.00 C ATOM 215 NZ LYS A 389 15.366 -29.132 -0.532 1.00 0.00 N ATOM 0 H LYS A 389 10.783 -24.789 0.142 1.00 0.00 H new ATOM 0 HA LYS A 389 11.042 -25.345 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.963 -24.870 -1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.504 -25.983 -0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 389 12.926 -27.919 -1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 389 13.242 -26.861 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 389 15.280 -26.046 -1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.859 -26.586 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 389 15.236 -28.603 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 389 16.627 -27.944 -1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 15.941 -29.980 -0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 15.655 -28.703 0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 14.362 -29.399 -0.482 1.00 0.00 H new ATOM 229 N ASN A 390 10.243 -27.833 -0.565 1.00 0.00 N ATOM 230 CA ASN A 390 9.640 -29.144 -0.401 1.00 0.00 C ATOM 231 C ASN A 390 8.205 -29.113 -0.933 1.00 0.00 C ATOM 232 O ASN A 390 7.845 -29.930 -1.778 1.00 0.00 O ATOM 233 CB ASN A 390 9.715 -29.514 1.088 1.00 0.00 C ATOM 234 CG ASN A 390 9.039 -30.830 1.443 1.00 0.00 C ATOM 235 OD1 ASN A 390 8.530 -31.535 0.578 1.00 0.00 O ATOM 236 ND2 ASN A 390 9.032 -31.160 2.734 1.00 0.00 N ATOM 0 H ASN A 390 10.555 -27.431 0.319 1.00 0.00 H new ATOM 0 HA ASN A 390 10.170 -29.907 -0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 390 10.763 -29.566 1.385 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.258 -28.715 1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 390 8.591 -32.029 3.036 1.00 0.00 H new ATOM 0 HD22 ASN A 390 9.467 -30.544 3.420 1.00 0.00 H new ATOM 243 N LEU A 391 7.398 -28.163 -0.451 1.00 0.00 N ATOM 244 CA LEU A 391 6.006 -27.969 -0.842 1.00 0.00 C ATOM 245 C LEU A 391 5.871 -27.917 -2.366 1.00 0.00 C ATOM 246 O LEU A 391 5.132 -28.702 -2.955 1.00 0.00 O ATOM 247 CB LEU A 391 5.501 -26.672 -0.191 1.00 0.00 C ATOM 248 CG LEU A 391 4.004 -26.397 -0.368 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.138 -27.316 0.496 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.744 -24.943 0.056 1.00 0.00 C ATOM 0 H LEU A 391 7.710 -27.487 0.246 1.00 0.00 H new ATOM 0 HA LEU A 391 5.401 -28.808 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.725 -26.708 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.060 -25.834 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 391 3.740 -26.578 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.086 -27.082 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.325 -28.355 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.386 -27.167 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.684 -24.715 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 391 4.033 -24.811 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 391 4.330 -24.271 -0.571 1.00 0.00 H new ATOM 262 N ARG A 392 6.597 -26.987 -2.995 1.00 0.00 N ATOM 263 CA ARG A 392 6.610 -26.772 -4.433 1.00 0.00 C ATOM 264 C ARG A 392 6.981 -28.055 -5.176 1.00 0.00 C ATOM 265 O ARG A 392 6.265 -28.462 -6.090 1.00 0.00 O ATOM 266 CB ARG A 392 7.575 -25.621 -4.741 1.00 0.00 C ATOM 267 CG ARG A 392 7.653 -25.293 -6.237 1.00 0.00 C ATOM 268 CD ARG A 392 8.467 -24.014 -6.466 1.00 0.00 C ATOM 269 NE ARG A 392 9.838 -24.144 -5.947 1.00 0.00 N ATOM 270 CZ ARG A 392 10.732 -23.145 -5.871 1.00 0.00 C ATOM 271 NH1 ARG A 392 10.427 -21.926 -6.337 1.00 0.00 N ATOM 272 NH2 ARG A 392 11.935 -23.368 -5.327 1.00 0.00 N ATOM 0 H ARG A 392 7.210 -26.345 -2.493 1.00 0.00 H new ATOM 0 HA ARG A 392 5.614 -26.499 -4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 392 7.259 -24.732 -4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.570 -25.880 -4.379 1.00 0.00 H new ATOM 0 HG2 ARG A 392 8.111 -26.124 -6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 392 6.648 -25.168 -6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 392 8.501 -23.790 -7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 392 7.971 -23.174 -5.979 1.00 0.00 H new ATOM 0 HE ARG A 392 10.132 -25.064 -5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 392 9.512 -21.753 -6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 392 11.110 -21.171 -6.276 1.00 0.00 H new ATOM 0 HH21 ARG A 392 12.170 -24.295 -4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 392 12.616 -22.611 -5.268 1.00 0.00 H new ATOM 286 N SER A 393 8.092 -28.690 -4.783 1.00 0.00 N ATOM 287 CA SER A 393 8.554 -29.929 -5.394 1.00 0.00 C ATOM 288 C SER A 393 7.437 -30.975 -5.348 1.00 0.00 C ATOM 289 O SER A 393 7.087 -31.566 -6.370 1.00 0.00 O ATOM 290 CB SER A 393 9.814 -30.420 -4.670 1.00 0.00 C ATOM 291 OG SER A 393 10.320 -31.585 -5.290 1.00 0.00 O ATOM 0 H SER A 393 8.693 -28.353 -4.030 1.00 0.00 H new ATOM 0 HA SER A 393 8.810 -29.756 -6.439 1.00 0.00 H new ATOM 0 HB2 SER A 393 10.573 -29.638 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.582 -30.628 -3.626 1.00 0.00 H new ATOM 0 HG SER A 393 11.125 -31.884 -4.817 1.00 0.00 H new ATOM 297 N GLY A 394 6.874 -31.182 -4.156 1.00 0.00 N ATOM 298 CA GLY A 394 5.799 -32.119 -3.912 1.00 0.00 C ATOM 299 C GLY A 394 4.619 -31.866 -4.846 1.00 0.00 C ATOM 300 O GLY A 394 4.246 -32.756 -5.603 1.00 0.00 O ATOM 0 H GLY A 394 7.169 -30.684 -3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 394 6.163 -33.137 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.470 -32.036 -2.876 1.00 0.00 H new ATOM 304 N VAL A 395 4.033 -30.665 -4.790 1.00 0.00 N ATOM 305 CA VAL A 395 2.891 -30.283 -5.613 1.00 0.00 C ATOM 306 C VAL A 395 3.164 -30.524 -7.099 1.00 0.00 C ATOM 307 O VAL A 395 2.332 -31.107 -7.788 1.00 0.00 O ATOM 308 CB VAL A 395 2.491 -28.823 -5.334 1.00 0.00 C ATOM 309 CG1 VAL A 395 1.432 -28.338 -6.333 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.899 -28.698 -3.926 1.00 0.00 C ATOM 0 H VAL A 395 4.346 -29.925 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 395 2.048 -30.919 -5.342 1.00 0.00 H new ATOM 0 HB VAL A 395 3.391 -28.216 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 395 1.169 -27.304 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.831 -28.402 -7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.543 -28.963 -6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.620 -27.661 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 395 1.016 -29.332 -3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.640 -29.012 -3.191 1.00 0.00 H new ATOM 320 N ARG A 396 4.317 -30.081 -7.609 1.00 0.00 N ATOM 321 CA ARG A 396 4.644 -30.264 -9.017 1.00 0.00 C ATOM 322 C ARG A 396 4.771 -31.744 -9.397 1.00 0.00 C ATOM 323 O ARG A 396 4.377 -32.125 -10.497 1.00 0.00 O ATOM 324 CB ARG A 396 5.918 -29.484 -9.370 1.00 0.00 C ATOM 325 CG ARG A 396 5.662 -27.970 -9.323 1.00 0.00 C ATOM 326 CD ARG A 396 6.932 -27.175 -9.652 1.00 0.00 C ATOM 327 NE ARG A 396 7.371 -27.377 -11.043 1.00 0.00 N ATOM 328 CZ ARG A 396 6.865 -26.758 -12.124 1.00 0.00 C ATOM 329 NH1 ARG A 396 5.851 -25.890 -12.005 1.00 0.00 N ATOM 330 NH2 ARG A 396 7.380 -27.012 -13.334 1.00 0.00 N ATOM 0 H ARG A 396 5.033 -29.596 -7.068 1.00 0.00 H new ATOM 0 HA ARG A 396 3.817 -29.866 -9.604 1.00 0.00 H new ATOM 0 HB2 ARG A 396 6.714 -29.744 -8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 396 6.260 -29.769 -10.365 1.00 0.00 H new ATOM 0 HG2 ARG A 396 4.875 -27.711 -10.032 1.00 0.00 H new ATOM 0 HG3 ARG A 396 5.303 -27.691 -8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 396 6.749 -26.114 -9.481 1.00 0.00 H new ATOM 0 HD3 ARG A 396 7.731 -27.474 -8.974 1.00 0.00 H new ATOM 0 HE ARG A 396 8.125 -28.045 -11.200 1.00 0.00 H new ATOM 0 HH11 ARG A 396 5.454 -25.692 -11.086 1.00 0.00 H new ATOM 0 HH12 ARG A 396 5.476 -25.427 -12.833 1.00 0.00 H new ATOM 0 HH21 ARG A 396 8.152 -27.672 -13.432 1.00 0.00 H new ATOM 0 HH22 ARG A 396 7.000 -26.546 -14.158 1.00 0.00 H new ATOM 344 N LYS A 397 5.327 -32.576 -8.510 1.00 0.00 N ATOM 345 CA LYS A 397 5.537 -33.996 -8.770 1.00 0.00 C ATOM 346 C LYS A 397 4.293 -34.873 -8.599 1.00 0.00 C ATOM 347 O LYS A 397 4.108 -35.803 -9.383 1.00 0.00 O ATOM 348 CB LYS A 397 6.671 -34.513 -7.879 1.00 0.00 C ATOM 349 CG LYS A 397 8.015 -33.915 -8.321 1.00 0.00 C ATOM 350 CD LYS A 397 9.148 -34.282 -7.358 1.00 0.00 C ATOM 351 CE LYS A 397 9.445 -35.785 -7.389 1.00 0.00 C ATOM 352 NZ LYS A 397 10.619 -36.116 -6.568 1.00 0.00 N ATOM 0 H LYS A 397 5.644 -32.277 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 397 5.799 -34.073 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 397 6.474 -34.251 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 397 6.715 -35.601 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 397 8.259 -34.271 -9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 397 7.927 -32.830 -8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 397 10.047 -33.727 -7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 397 8.877 -33.984 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 397 8.578 -36.337 -7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 397 9.617 -36.103 -8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 10.835 -37.129 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 11.435 -35.556 -6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 10.418 -35.897 -5.571 1.00 0.00 H new ATOM 366 N TYR A 398 3.470 -34.623 -7.576 1.00 0.00 N ATOM 367 CA TYR A 398 2.301 -35.441 -7.257 1.00 0.00 C ATOM 368 C TYR A 398 0.960 -34.728 -7.443 1.00 0.00 C ATOM 369 O TYR A 398 -0.077 -35.311 -7.131 1.00 0.00 O ATOM 370 CB TYR A 398 2.466 -35.977 -5.829 1.00 0.00 C ATOM 371 CG TYR A 398 3.851 -36.540 -5.547 1.00 0.00 C ATOM 372 CD1 TYR A 398 4.374 -37.562 -6.361 1.00 0.00 C ATOM 373 CD2 TYR A 398 4.623 -36.037 -4.483 1.00 0.00 C ATOM 374 CE1 TYR A 398 5.658 -38.076 -6.116 1.00 0.00 C ATOM 375 CE2 TYR A 398 5.907 -36.552 -4.237 1.00 0.00 C ATOM 376 CZ TYR A 398 6.426 -37.570 -5.052 1.00 0.00 C ATOM 377 OH TYR A 398 7.674 -38.066 -4.810 1.00 0.00 O ATOM 0 H TYR A 398 3.601 -33.837 -6.940 1.00 0.00 H new ATOM 0 HA TYR A 398 2.264 -36.261 -7.974 1.00 0.00 H new ATOM 0 HB2 TYR A 398 2.258 -35.174 -5.122 1.00 0.00 H new ATOM 0 HB3 TYR A 398 1.724 -36.756 -5.654 1.00 0.00 H new ATOM 0 HD1 TYR A 398 3.785 -37.953 -7.178 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.227 -35.253 -3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 398 6.055 -38.859 -6.744 1.00 0.00 H new ATOM 0 HE2 TYR A 398 6.496 -36.164 -3.419 1.00 0.00 H new ATOM 0 HH TYR A 398 8.066 -37.604 -4.039 1.00 0.00 H new ATOM 387 N GLY A 399 0.957 -33.492 -7.950 1.00 0.00 N ATOM 388 CA GLY A 399 -0.257 -32.725 -8.184 1.00 0.00 C ATOM 389 C GLY A 399 -0.770 -32.053 -6.911 1.00 0.00 C ATOM 390 O GLY A 399 -0.495 -32.503 -5.798 1.00 0.00 O ATOM 0 H GLY A 399 1.809 -32.996 -8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.064 -31.965 -8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.029 -33.383 -8.582 1.00 0.00 H new ATOM 394 N GLU A 400 -1.530 -30.968 -7.090 1.00 0.00 N ATOM 395 CA GLU A 400 -2.121 -30.208 -5.999 1.00 0.00 C ATOM 396 C GLU A 400 -3.348 -30.961 -5.473 1.00 0.00 C ATOM 397 O GLU A 400 -3.928 -31.782 -6.183 1.00 0.00 O ATOM 398 CB GLU A 400 -2.482 -28.802 -6.504 1.00 0.00 C ATOM 399 CG GLU A 400 -2.658 -27.803 -5.354 1.00 0.00 C ATOM 400 CD GLU A 400 -3.054 -26.420 -5.852 1.00 0.00 C ATOM 401 OE1 GLU A 400 -2.363 -25.895 -6.755 1.00 0.00 O ATOM 402 OE2 GLU A 400 -4.038 -25.868 -5.312 1.00 0.00 O ATOM 0 H GLU A 400 -1.751 -30.593 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.416 -30.097 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -1.700 -28.447 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.403 -28.851 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.420 -28.172 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -1.728 -27.732 -4.790 1.00 0.00 H new ATOM 409 N GLY A 401 -3.743 -30.684 -4.228 1.00 0.00 N ATOM 410 CA GLY A 401 -4.892 -31.318 -3.597 1.00 0.00 C ATOM 411 C GLY A 401 -4.632 -32.779 -3.229 1.00 0.00 C ATOM 412 O GLY A 401 -5.577 -33.536 -3.026 1.00 0.00 O ATOM 0 H GLY A 401 -3.268 -30.008 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.159 -30.763 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -5.747 -31.264 -4.271 1.00 0.00 H new ATOM 416 N ASN A 402 -3.354 -33.169 -3.137 1.00 0.00 N ATOM 417 CA ASN A 402 -2.910 -34.511 -2.789 1.00 0.00 C ATOM 418 C ASN A 402 -1.898 -34.355 -1.658 1.00 0.00 C ATOM 419 O ASN A 402 -0.776 -34.857 -1.733 1.00 0.00 O ATOM 420 CB ASN A 402 -2.286 -35.191 -4.019 1.00 0.00 C ATOM 421 CG ASN A 402 -3.267 -35.329 -5.181 1.00 0.00 C ATOM 422 OD1 ASN A 402 -4.431 -35.667 -4.985 1.00 0.00 O ATOM 423 ND2 ASN A 402 -2.804 -35.085 -6.407 1.00 0.00 N ATOM 0 H ASN A 402 -2.578 -32.530 -3.311 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.738 -35.142 -2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -1.421 -34.615 -4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -1.923 -36.179 -3.737 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -3.422 -35.178 -7.213 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -1.832 -34.806 -6.539 1.00 0.00 H new ATOM 430 N TRP A 403 -2.293 -33.639 -0.602 1.00 0.00 N ATOM 431 CA TRP A 403 -1.422 -33.388 0.536 1.00 0.00 C ATOM 432 C TRP A 403 -1.017 -34.697 1.204 1.00 0.00 C ATOM 433 O TRP A 403 0.068 -34.757 1.772 1.00 0.00 O ATOM 434 CB TRP A 403 -1.959 -32.276 1.443 1.00 0.00 C ATOM 435 CG TRP A 403 -2.609 -31.192 0.647 1.00 0.00 C ATOM 436 CD1 TRP A 403 -3.939 -31.010 0.517 1.00 0.00 C ATOM 437 CD2 TRP A 403 -1.980 -30.158 -0.161 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.181 -29.941 -0.315 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.007 -29.375 -0.765 1.00 0.00 C ATOM 440 CE3 TRP A 403 -0.645 -29.806 -0.452 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -2.723 -28.295 -1.614 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.349 -28.724 -1.300 1.00 0.00 C ATOM 443 CH2 TRP A 403 -1.384 -27.970 -1.880 1.00 0.00 C ATOM 0 H TRP A 403 -3.220 -33.222 -0.517 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.477 -32.966 0.193 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.678 -32.694 2.147 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.142 -31.858 2.032 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.699 -31.612 0.994 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.112 -29.609 -0.567 1.00 0.00 H new ATOM 0 HE3 TRP A 403 0.162 -30.376 -0.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -3.524 -27.722 -2.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.680 -28.471 -1.507 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.149 -27.141 -2.530 1.00 0.00 H new ATOM 454 N SER A 404 -1.836 -35.754 1.080 1.00 0.00 N ATOM 455 CA SER A 404 -1.488 -37.079 1.583 1.00 0.00 C ATOM 456 C SER A 404 -0.157 -37.498 0.955 1.00 0.00 C ATOM 457 O SER A 404 0.758 -37.931 1.651 1.00 0.00 O ATOM 458 CB SER A 404 -2.549 -38.118 1.192 1.00 0.00 C ATOM 459 OG SER A 404 -3.808 -37.807 1.732 1.00 0.00 O ATOM 0 H SER A 404 -2.750 -35.708 0.630 1.00 0.00 H new ATOM 0 HA SER A 404 -1.424 -37.033 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.623 -38.171 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 404 -2.238 -39.103 1.539 1.00 0.00 H new ATOM 0 HG SER A 404 -4.458 -38.489 1.461 1.00 0.00 H new ATOM 465 N LYS A 405 -0.048 -37.357 -0.372 1.00 0.00 N ATOM 466 CA LYS A 405 1.158 -37.696 -1.110 1.00 0.00 C ATOM 467 C LYS A 405 2.295 -36.780 -0.668 1.00 0.00 C ATOM 468 O LYS A 405 3.381 -37.266 -0.361 1.00 0.00 O ATOM 469 CB LYS A 405 0.922 -37.577 -2.626 1.00 0.00 C ATOM 470 CG LYS A 405 0.007 -38.683 -3.174 1.00 0.00 C ATOM 471 CD LYS A 405 0.770 -39.991 -3.433 1.00 0.00 C ATOM 472 CE LYS A 405 1.548 -39.935 -4.756 1.00 0.00 C ATOM 473 NZ LYS A 405 2.443 -41.095 -4.907 1.00 0.00 N ATOM 0 H LYS A 405 -0.802 -37.002 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 405 1.428 -38.730 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.481 -36.605 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 405 1.881 -37.616 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -0.800 -38.869 -2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -0.455 -38.344 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 405 1.461 -40.180 -2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 405 0.068 -40.825 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 405 0.847 -39.904 -5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 405 2.132 -39.016 -4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 2.876 -41.079 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 3.189 -41.054 -4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 1.897 -41.972 -4.791 1.00 0.00 H new ATOM 487 N ILE A 406 2.051 -35.464 -0.637 1.00 0.00 N ATOM 488 CA ILE A 406 3.073 -34.499 -0.253 1.00 0.00 C ATOM 489 C ILE A 406 3.697 -34.853 1.106 1.00 0.00 C ATOM 490 O ILE A 406 4.915 -35.011 1.198 1.00 0.00 O ATOM 491 CB ILE A 406 2.528 -33.054 -0.307 1.00 0.00 C ATOM 492 CG1 ILE A 406 1.875 -32.647 -1.645 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.654 -32.059 -0.002 1.00 0.00 C ATOM 494 CD1 ILE A 406 2.483 -33.283 -2.886 1.00 0.00 C ATOM 0 H ILE A 406 1.150 -35.048 -0.875 1.00 0.00 H new ATOM 0 HA ILE A 406 3.881 -34.552 -0.983 1.00 0.00 H new ATOM 0 HB ILE A 406 1.739 -33.027 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 406 0.816 -32.904 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.936 -31.563 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.262 -31.043 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 406 4.053 -32.255 0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.448 -32.171 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.953 -32.932 -3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 406 3.535 -33.006 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.398 -34.368 -2.818 1.00 0.00 H new ATOM 506 N LEU A 407 2.876 -34.983 2.156 1.00 0.00 N ATOM 507 CA LEU A 407 3.340 -35.304 3.502 1.00 0.00 C ATOM 508 C LEU A 407 3.930 -36.715 3.605 1.00 0.00 C ATOM 509 O LEU A 407 4.856 -36.929 4.383 1.00 0.00 O ATOM 510 CB LEU A 407 2.258 -34.999 4.555 1.00 0.00 C ATOM 511 CG LEU A 407 1.047 -35.951 4.587 1.00 0.00 C ATOM 512 CD1 LEU A 407 1.258 -37.133 5.544 1.00 0.00 C ATOM 513 CD2 LEU A 407 -0.203 -35.185 5.045 1.00 0.00 C ATOM 0 H LEU A 407 1.865 -34.867 2.090 1.00 0.00 H new ATOM 0 HA LEU A 407 4.176 -34.643 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 407 2.726 -35.009 5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 407 1.892 -33.986 4.386 1.00 0.00 H new ATOM 0 HG LEU A 407 0.924 -36.340 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 407 0.377 -37.774 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 407 2.129 -37.707 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 407 1.419 -36.758 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -1.057 -35.862 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -0.036 -34.780 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -0.404 -34.369 4.351 1.00 0.00 H new ATOM 525 N LEU A 408 3.412 -37.680 2.832 1.00 0.00 N ATOM 526 CA LEU A 408 3.911 -39.051 2.858 1.00 0.00 C ATOM 527 C LEU A 408 5.328 -39.102 2.296 1.00 0.00 C ATOM 528 O LEU A 408 6.220 -39.686 2.908 1.00 0.00 O ATOM 529 CB LEU A 408 2.948 -39.969 2.085 1.00 0.00 C ATOM 530 CG LEU A 408 3.367 -41.450 2.040 1.00 0.00 C ATOM 531 CD1 LEU A 408 2.111 -42.330 1.999 1.00 0.00 C ATOM 532 CD2 LEU A 408 4.219 -41.781 0.805 1.00 0.00 C ATOM 0 H LEU A 408 2.643 -37.529 2.179 1.00 0.00 H new ATOM 0 HA LEU A 408 3.956 -39.409 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 408 1.959 -39.899 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 408 2.858 -39.600 1.063 1.00 0.00 H new ATOM 0 HG LEU A 408 3.964 -41.642 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 408 2.403 -43.380 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 408 1.510 -42.148 2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 408 1.527 -42.089 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 408 4.488 -42.837 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 408 3.649 -41.565 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 408 5.125 -41.176 0.815 1.00 0.00 H new ATOM 544 N HIS A 409 5.529 -38.502 1.120 1.00 0.00 N ATOM 545 CA HIS A 409 6.815 -38.490 0.447 1.00 0.00 C ATOM 546 C HIS A 409 7.836 -37.590 1.138 1.00 0.00 C ATOM 547 O HIS A 409 9.019 -37.928 1.131 1.00 0.00 O ATOM 548 CB HIS A 409 6.627 -38.109 -1.025 1.00 0.00 C ATOM 549 CG HIS A 409 5.884 -39.169 -1.801 1.00 0.00 C ATOM 550 ND1 HIS A 409 6.382 -40.452 -1.956 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.685 -39.166 -2.470 1.00 0.00 C ATOM 552 CE1 HIS A 409 5.491 -41.143 -2.685 1.00 0.00 C ATOM 553 NE2 HIS A 409 4.428 -40.414 -3.034 1.00 0.00 N ATOM 0 H HIS A 409 4.795 -38.010 0.611 1.00 0.00 H new ATOM 0 HA HIS A 409 7.227 -39.498 0.501 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.082 -37.167 -1.087 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.602 -37.944 -1.483 1.00 0.00 H new ATOM 0 HD1 HIS A 409 7.263 -40.807 -1.585 1.00 0.00 H new ATOM 0 HD2 HIS A 409 4.029 -38.311 -2.549 1.00 0.00 H new ATOM 0 HE1 HIS A 409 5.620 -42.179 -2.960 1.00 0.00 H new ATOM 561 N TYR A 410 7.411 -36.457 1.714 1.00 0.00 N ATOM 562 CA TYR A 410 8.323 -35.526 2.367 1.00 0.00 C ATOM 563 C TYR A 410 7.778 -35.002 3.692 1.00 0.00 C ATOM 564 O TYR A 410 6.624 -34.593 3.775 1.00 0.00 O ATOM 565 CB TYR A 410 8.571 -34.337 1.441 1.00 0.00 C ATOM 566 CG TYR A 410 9.050 -34.682 0.048 1.00 0.00 C ATOM 567 CD1 TYR A 410 10.282 -35.338 -0.118 1.00 0.00 C ATOM 568 CD2 TYR A 410 8.274 -34.349 -1.078 1.00 0.00 C ATOM 569 CE1 TYR A 410 10.737 -35.662 -1.404 1.00 0.00 C ATOM 570 CE2 TYR A 410 8.729 -34.672 -2.368 1.00 0.00 C ATOM 571 CZ TYR A 410 9.963 -35.330 -2.528 1.00 0.00 C ATOM 572 OH TYR A 410 10.428 -35.654 -3.768 1.00 0.00 O ATOM 0 H TYR A 410 6.433 -36.168 1.737 1.00 0.00 H new ATOM 0 HA TYR A 410 9.245 -36.069 2.576 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.646 -33.766 1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 410 9.308 -33.683 1.908 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.878 -35.593 0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 410 7.328 -33.845 -0.951 1.00 0.00 H new ATOM 0 HE1 TYR A 410 11.683 -36.167 -1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 410 8.134 -34.416 -3.233 1.00 0.00 H new ATOM 0 HH TYR A 410 10.981 -36.461 -3.709 1.00 0.00 H new ATOM 582 N LYS A 411 8.633 -34.984 4.720 1.00 0.00 N ATOM 583 CA LYS A 411 8.303 -34.470 6.039 1.00 0.00 C ATOM 584 C LYS A 411 8.606 -32.968 6.063 1.00 0.00 C ATOM 585 O LYS A 411 9.517 -32.507 5.377 1.00 0.00 O ATOM 586 CB LYS A 411 9.110 -35.241 7.095 1.00 0.00 C ATOM 587 CG LYS A 411 8.767 -34.794 8.521 1.00 0.00 C ATOM 588 CD LYS A 411 9.473 -35.674 9.557 1.00 0.00 C ATOM 589 CE LYS A 411 9.136 -35.181 10.971 1.00 0.00 C ATOM 590 NZ LYS A 411 9.819 -35.978 12.006 1.00 0.00 N ATOM 0 H LYS A 411 9.589 -35.334 4.650 1.00 0.00 H new ATOM 0 HA LYS A 411 7.246 -34.609 6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 411 8.914 -36.308 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.175 -35.094 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 411 9.062 -33.754 8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 411 7.689 -34.843 8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 411 9.161 -36.712 9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 411 10.551 -35.645 9.399 1.00 0.00 H new ATOM 0 HE2 LYS A 411 9.424 -34.134 11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 411 8.058 -35.231 11.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 9.566 -35.615 12.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 9.525 -36.973 11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 10.848 -35.910 11.874 1.00 0.00 H new ATOM 604 N PHE A 412 7.837 -32.217 6.858 1.00 0.00 N ATOM 605 CA PHE A 412 7.958 -30.774 7.038 1.00 0.00 C ATOM 606 C PHE A 412 8.155 -30.486 8.534 1.00 0.00 C ATOM 607 O PHE A 412 8.289 -31.426 9.318 1.00 0.00 O ATOM 608 CB PHE A 412 6.688 -30.093 6.515 1.00 0.00 C ATOM 609 CG PHE A 412 6.425 -30.193 5.025 1.00 0.00 C ATOM 610 CD1 PHE A 412 6.001 -31.404 4.447 1.00 0.00 C ATOM 611 CD2 PHE A 412 6.598 -29.057 4.210 1.00 0.00 C ATOM 612 CE1 PHE A 412 5.754 -31.479 3.067 1.00 0.00 C ATOM 613 CE2 PHE A 412 6.346 -29.135 2.832 1.00 0.00 C ATOM 614 CZ PHE A 412 5.922 -30.342 2.255 1.00 0.00 C ATOM 0 H PHE A 412 7.083 -32.619 7.415 1.00 0.00 H new ATOM 0 HA PHE A 412 8.811 -30.385 6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 412 5.833 -30.518 7.041 1.00 0.00 H new ATOM 0 HB3 PHE A 412 6.734 -29.037 6.782 1.00 0.00 H new ATOM 0 HD1 PHE A 412 5.865 -32.278 5.067 1.00 0.00 H new ATOM 0 HD2 PHE A 412 6.925 -28.125 4.647 1.00 0.00 H new ATOM 0 HE1 PHE A 412 5.434 -32.412 2.627 1.00 0.00 H new ATOM 0 HE2 PHE A 412 6.479 -28.261 2.212 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.726 -30.398 1.194 1.00 0.00 H new ATOM 624 N ASN A 413 8.165 -29.209 8.951 1.00 0.00 N ATOM 625 CA ASN A 413 8.333 -28.850 10.359 1.00 0.00 C ATOM 626 C ASN A 413 7.238 -29.512 11.205 1.00 0.00 C ATOM 627 O ASN A 413 7.523 -30.367 12.040 1.00 0.00 O ATOM 628 CB ASN A 413 8.312 -27.322 10.564 1.00 0.00 C ATOM 629 CG ASN A 413 9.381 -26.527 9.814 1.00 0.00 C ATOM 630 OD1 ASN A 413 9.168 -25.355 9.510 1.00 0.00 O ATOM 631 ND2 ASN A 413 10.530 -27.132 9.511 1.00 0.00 N ATOM 0 H ASN A 413 8.058 -28.410 8.327 1.00 0.00 H new ATOM 0 HA ASN A 413 9.309 -29.214 10.681 1.00 0.00 H new ATOM 0 HB2 ASN A 413 7.333 -26.949 10.263 1.00 0.00 H new ATOM 0 HB3 ASN A 413 8.417 -27.118 11.629 1.00 0.00 H new ATOM 0 HD21 ASN A 413 11.260 -26.621 9.014 1.00 0.00 H new ATOM 0 HD22 ASN A 413 10.679 -28.106 9.776 1.00 0.00 H new ATOM 638 N ASN A 414 5.983 -29.112 10.970 1.00 0.00 N ATOM 639 CA ASN A 414 4.785 -29.611 11.637 1.00 0.00 C ATOM 640 C ASN A 414 3.601 -29.025 10.869 1.00 0.00 C ATOM 641 O ASN A 414 2.835 -28.220 11.394 1.00 0.00 O ATOM 642 CB ASN A 414 4.776 -29.206 13.122 1.00 0.00 C ATOM 643 CG ASN A 414 3.546 -29.739 13.851 1.00 0.00 C ATOM 644 OD1 ASN A 414 2.745 -28.974 14.380 1.00 0.00 O ATOM 645 ND2 ASN A 414 3.393 -31.063 13.897 1.00 0.00 N ATOM 0 H ASN A 414 5.770 -28.397 10.275 1.00 0.00 H new ATOM 0 HA ASN A 414 4.741 -30.700 11.631 1.00 0.00 H new ATOM 0 HB2 ASN A 414 5.677 -29.583 13.606 1.00 0.00 H new ATOM 0 HB3 ASN A 414 4.802 -28.119 13.202 1.00 0.00 H new ATOM 0 HD21 ASN A 414 2.592 -31.467 14.382 1.00 0.00 H new ATOM 0 HD22 ASN A 414 4.077 -31.671 13.447 1.00 0.00 H new ATOM 652 N ARG A 415 3.491 -29.410 9.594 1.00 0.00 N ATOM 653 CA ARG A 415 2.486 -28.904 8.674 1.00 0.00 C ATOM 654 C ARG A 415 1.420 -29.957 8.377 1.00 0.00 C ATOM 655 O ARG A 415 1.712 -30.980 7.761 1.00 0.00 O ATOM 656 CB ARG A 415 3.185 -28.454 7.382 1.00 0.00 C ATOM 657 CG ARG A 415 4.473 -27.654 7.620 1.00 0.00 C ATOM 658 CD ARG A 415 4.307 -26.384 8.457 1.00 0.00 C ATOM 659 NE ARG A 415 5.559 -25.624 8.416 1.00 0.00 N ATOM 660 CZ ARG A 415 5.734 -24.370 8.851 1.00 0.00 C ATOM 661 NH1 ARG A 415 4.729 -23.666 9.384 1.00 0.00 N ATOM 662 NH2 ARG A 415 6.942 -23.806 8.756 1.00 0.00 N ATOM 0 H ARG A 415 4.115 -30.097 9.170 1.00 0.00 H new ATOM 0 HA ARG A 415 1.976 -28.057 9.132 1.00 0.00 H new ATOM 0 HB2 ARG A 415 3.420 -29.333 6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.493 -27.846 6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 415 5.198 -28.302 8.112 1.00 0.00 H new ATOM 0 HG3 ARG A 415 4.895 -27.380 6.653 1.00 0.00 H new ATOM 0 HD2 ARG A 415 3.486 -25.781 8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 415 4.055 -26.640 9.486 1.00 0.00 H new ATOM 0 HE ARG A 415 6.373 -26.094 8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.802 -24.083 9.467 1.00 0.00 H new ATOM 0 HH12 ARG A 415 4.890 -22.712 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 415 7.720 -24.330 8.355 1.00 0.00 H new ATOM 0 HH22 ARG A 415 7.086 -22.851 9.084 1.00 0.00 H new ATOM 676 N THR A 416 0.180 -29.695 8.801 1.00 0.00 N ATOM 677 CA THR A 416 -0.956 -30.575 8.558 1.00 0.00 C ATOM 678 C THR A 416 -1.421 -30.397 7.112 1.00 0.00 C ATOM 679 O THR A 416 -0.955 -29.492 6.424 1.00 0.00 O ATOM 680 CB THR A 416 -2.113 -30.204 9.502 1.00 0.00 C ATOM 681 OG1 THR A 416 -2.600 -28.908 9.195 1.00 0.00 O ATOM 682 CG2 THR A 416 -1.708 -30.277 10.977 1.00 0.00 C ATOM 0 H THR A 416 -0.061 -28.856 9.328 1.00 0.00 H new ATOM 0 HA THR A 416 -0.659 -31.609 8.736 1.00 0.00 H new ATOM 0 HB THR A 416 -2.903 -30.938 9.346 1.00 0.00 H new ATOM 0 HG1 THR A 416 -3.337 -28.683 9.801 1.00 0.00 H new ATOM 0 HG21 THR A 416 -2.559 -30.006 11.602 1.00 0.00 H new ATOM 0 HG22 THR A 416 -1.390 -31.291 11.217 1.00 0.00 H new ATOM 0 HG23 THR A 416 -0.886 -29.585 11.163 1.00 0.00 H new ATOM 690 N SER A 417 -2.365 -31.228 6.656 1.00 0.00 N ATOM 691 CA SER A 417 -2.938 -31.113 5.319 1.00 0.00 C ATOM 692 C SER A 417 -3.498 -29.700 5.127 1.00 0.00 C ATOM 693 O SER A 417 -3.273 -29.076 4.091 1.00 0.00 O ATOM 694 CB SER A 417 -4.026 -32.171 5.144 1.00 0.00 C ATOM 695 OG SER A 417 -3.456 -33.456 5.270 1.00 0.00 O ATOM 0 H SER A 417 -2.750 -31.996 7.206 1.00 0.00 H new ATOM 0 HA SER A 417 -2.172 -31.282 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.807 -32.033 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.498 -32.065 4.167 1.00 0.00 H new ATOM 0 HG SER A 417 -4.153 -34.136 5.160 1.00 0.00 H new ATOM 701 N VAL A 418 -4.204 -29.191 6.149 1.00 0.00 N ATOM 702 CA VAL A 418 -4.762 -27.848 6.139 1.00 0.00 C ATOM 703 C VAL A 418 -3.624 -26.838 5.996 1.00 0.00 C ATOM 704 O VAL A 418 -3.730 -25.920 5.192 1.00 0.00 O ATOM 705 CB VAL A 418 -5.582 -27.555 7.412 1.00 0.00 C ATOM 706 CG1 VAL A 418 -6.316 -26.213 7.274 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.633 -28.631 7.706 1.00 0.00 C ATOM 0 H VAL A 418 -4.399 -29.710 7.005 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.445 -27.765 5.294 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.865 -27.534 8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -6.891 -26.018 8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -5.589 -25.414 7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.989 -26.253 6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -7.178 -28.369 8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -7.330 -28.697 6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -6.140 -29.593 7.844 1.00 0.00 H new ATOM 717 N MET A 419 -2.544 -27.002 6.773 1.00 0.00 N ATOM 718 CA MET A 419 -1.397 -26.100 6.744 1.00 0.00 C ATOM 719 C MET A 419 -0.746 -26.043 5.357 1.00 0.00 C ATOM 720 O MET A 419 -0.567 -24.961 4.803 1.00 0.00 O ATOM 721 CB MET A 419 -0.372 -26.509 7.810 1.00 0.00 C ATOM 722 CG MET A 419 0.250 -25.277 8.472 1.00 0.00 C ATOM 723 SD MET A 419 -0.814 -24.512 9.723 1.00 0.00 S ATOM 724 CE MET A 419 -0.579 -25.679 11.090 1.00 0.00 C ATOM 0 H MET A 419 -2.447 -27.768 7.439 1.00 0.00 H new ATOM 0 HA MET A 419 -1.760 -25.097 6.969 1.00 0.00 H new ATOM 0 HB2 MET A 419 -0.855 -27.128 8.566 1.00 0.00 H new ATOM 0 HB3 MET A 419 0.410 -27.116 7.354 1.00 0.00 H new ATOM 0 HG2 MET A 419 1.195 -25.562 8.935 1.00 0.00 H new ATOM 0 HG3 MET A 419 0.481 -24.540 7.703 1.00 0.00 H new ATOM 0 HE1 MET A 419 -1.546 -25.926 11.528 1.00 0.00 H new ATOM 0 HE2 MET A 419 -0.107 -26.588 10.716 1.00 0.00 H new ATOM 0 HE3 MET A 419 0.058 -25.226 11.850 1.00 0.00 H new ATOM 734 N LEU A 420 -0.395 -27.211 4.803 1.00 0.00 N ATOM 735 CA LEU A 420 0.227 -27.370 3.493 1.00 0.00 C ATOM 736 C LEU A 420 -0.615 -26.641 2.446 1.00 0.00 C ATOM 737 O LEU A 420 -0.116 -25.782 1.713 1.00 0.00 O ATOM 738 CB LEU A 420 0.341 -28.872 3.159 1.00 0.00 C ATOM 739 CG LEU A 420 1.383 -29.609 4.021 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.009 -31.077 4.236 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.763 -29.608 3.359 1.00 0.00 C ATOM 0 H LEU A 420 -0.545 -28.101 5.277 1.00 0.00 H new ATOM 0 HA LEU A 420 1.229 -26.940 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.633 -29.343 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.604 -28.985 2.107 1.00 0.00 H new ATOM 0 HG LEU A 420 1.405 -29.074 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 420 1.770 -31.560 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.045 -31.137 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 420 0.946 -31.581 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.472 -30.137 3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.703 -30.106 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 420 3.098 -28.580 3.218 1.00 0.00 H new ATOM 753 N LYS A 421 -1.903 -26.989 2.404 1.00 0.00 N ATOM 754 CA LYS A 421 -2.859 -26.405 1.487 1.00 0.00 C ATOM 755 C LYS A 421 -2.952 -24.889 1.657 1.00 0.00 C ATOM 756 O LYS A 421 -2.887 -24.164 0.670 1.00 0.00 O ATOM 757 CB LYS A 421 -4.222 -27.070 1.703 1.00 0.00 C ATOM 758 CG LYS A 421 -5.253 -26.594 0.668 1.00 0.00 C ATOM 759 CD LYS A 421 -6.535 -26.067 1.317 1.00 0.00 C ATOM 760 CE LYS A 421 -6.332 -24.814 2.178 1.00 0.00 C ATOM 761 NZ LYS A 421 -7.616 -24.261 2.642 1.00 0.00 N ATOM 0 H LYS A 421 -2.308 -27.695 3.019 1.00 0.00 H new ATOM 0 HA LYS A 421 -2.524 -26.583 0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.114 -28.153 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.582 -26.845 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -4.811 -25.809 0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.500 -27.419 0.000 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -7.260 -25.843 0.535 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -6.966 -26.854 1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -5.709 -25.060 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -5.797 -24.059 1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -7.439 -23.523 3.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -8.128 -23.849 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -8.188 -25.020 3.065 1.00 0.00 H new ATOM 775 N ASP A 422 -3.124 -24.407 2.890 1.00 0.00 N ATOM 776 CA ASP A 422 -3.271 -22.990 3.190 1.00 0.00 C ATOM 777 C ASP A 422 -2.049 -22.182 2.761 1.00 0.00 C ATOM 778 O ASP A 422 -2.198 -21.124 2.152 1.00 0.00 O ATOM 779 CB ASP A 422 -3.591 -22.791 4.673 1.00 0.00 C ATOM 780 CG ASP A 422 -3.889 -21.330 4.977 1.00 0.00 C ATOM 781 OD1 ASP A 422 -4.768 -20.771 4.283 1.00 0.00 O ATOM 782 OD2 ASP A 422 -3.254 -20.807 5.917 1.00 0.00 O ATOM 0 H ASP A 422 -3.165 -25.003 3.717 1.00 0.00 H new ATOM 0 HA ASP A 422 -4.109 -22.610 2.606 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -4.448 -23.405 4.949 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -2.749 -23.127 5.278 1.00 0.00 H new ATOM 787 N ARG A 423 -0.843 -22.681 3.051 1.00 0.00 N ATOM 788 CA ARG A 423 0.385 -22.008 2.656 1.00 0.00 C ATOM 789 C ARG A 423 0.366 -21.857 1.134 1.00 0.00 C ATOM 790 O ARG A 423 0.499 -20.747 0.616 1.00 0.00 O ATOM 791 CB ARG A 423 1.606 -22.818 3.116 1.00 0.00 C ATOM 792 CG ARG A 423 2.915 -22.017 3.205 1.00 0.00 C ATOM 793 CD ARG A 423 3.175 -20.952 2.139 1.00 0.00 C ATOM 794 NE ARG A 423 4.560 -20.457 2.226 1.00 0.00 N ATOM 795 CZ ARG A 423 4.966 -19.203 2.491 1.00 0.00 C ATOM 796 NH1 ARG A 423 4.098 -18.261 2.870 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.260 -18.882 2.376 1.00 0.00 N ATOM 0 H ARG A 423 -0.698 -23.553 3.560 1.00 0.00 H new ATOM 0 HA ARG A 423 0.453 -21.026 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 423 1.392 -23.247 4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.752 -23.651 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 423 2.943 -21.529 4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 423 3.743 -22.725 3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 423 2.994 -21.370 1.149 1.00 0.00 H new ATOM 0 HD3 ARG A 423 2.478 -20.124 2.268 1.00 0.00 H new ATOM 0 HE ARG A 423 5.296 -21.145 2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 423 3.108 -18.488 2.963 1.00 0.00 H new ATOM 0 HH12 ARG A 423 4.425 -17.315 3.067 1.00 0.00 H new ATOM 0 HH21 ARG A 423 6.937 -19.588 2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.569 -17.931 2.577 1.00 0.00 H new ATOM 811 N TRP A 424 0.182 -22.978 0.422 1.00 0.00 N ATOM 812 CA TRP A 424 0.132 -22.982 -1.028 1.00 0.00 C ATOM 813 C TRP A 424 -0.994 -22.089 -1.555 1.00 0.00 C ATOM 814 O TRP A 424 -0.843 -21.480 -2.608 1.00 0.00 O ATOM 815 CB TRP A 424 -0.024 -24.413 -1.544 1.00 0.00 C ATOM 816 CG TRP A 424 0.127 -24.541 -3.025 1.00 0.00 C ATOM 817 CD1 TRP A 424 -0.888 -24.705 -3.898 1.00 0.00 C ATOM 818 CD2 TRP A 424 1.343 -24.518 -3.830 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.394 -24.791 -5.183 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.981 -24.678 -5.200 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.717 -24.377 -3.544 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.934 -24.698 -6.230 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.682 -24.397 -4.569 1.00 0.00 C ATOM 824 CH2 TRP A 424 3.293 -24.558 -5.910 1.00 0.00 C ATOM 0 H TRP A 424 0.065 -23.899 0.843 1.00 0.00 H new ATOM 0 HA TRP A 424 1.072 -22.573 -1.400 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.716 -25.047 -1.057 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.006 -24.788 -1.255 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -1.933 -24.761 -3.631 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -0.971 -24.921 -6.014 1.00 0.00 H new ATOM 0 HE3 TRP A 424 3.035 -24.251 -2.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 1.625 -24.820 -7.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.728 -24.288 -4.323 1.00 0.00 H new ATOM 0 HH2 TRP A 424 4.038 -24.574 -6.692 1.00 0.00 H new ATOM 835 N ARG A 425 -2.117 -22.007 -0.837 1.00 0.00 N ATOM 836 CA ARG A 425 -3.267 -21.201 -1.211 1.00 0.00 C ATOM 837 C ARG A 425 -2.900 -19.719 -1.187 1.00 0.00 C ATOM 838 O ARG A 425 -3.042 -19.048 -2.206 1.00 0.00 O ATOM 839 CB ARG A 425 -4.444 -21.530 -0.285 1.00 0.00 C ATOM 840 CG ARG A 425 -5.718 -20.764 -0.646 1.00 0.00 C ATOM 841 CD ARG A 425 -6.883 -21.249 0.222 1.00 0.00 C ATOM 842 NE ARG A 425 -6.691 -20.928 1.649 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.660 -20.983 2.576 1.00 0.00 C ATOM 844 NH1 ARG A 425 -8.868 -21.477 2.272 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.411 -20.577 3.824 1.00 0.00 N ATOM 0 H ARG A 425 -2.248 -22.513 0.039 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.574 -21.435 -2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.645 -22.600 -0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -4.166 -21.299 0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.564 -19.695 -0.498 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -5.954 -20.910 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.809 -20.793 -0.129 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -6.995 -22.327 0.106 1.00 0.00 H new ATOM 0 HE ARG A 425 -5.759 -20.645 1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -9.058 -21.816 1.329 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.598 -21.514 2.984 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -6.486 -20.226 4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -8.146 -20.618 4.530 1.00 0.00 H new ATOM 859 N THR A 426 -2.428 -19.205 -0.043 1.00 0.00 N ATOM 860 CA THR A 426 -2.035 -17.807 0.093 1.00 0.00 C ATOM 861 C THR A 426 -0.969 -17.473 -0.952 1.00 0.00 C ATOM 862 O THR A 426 -1.107 -16.510 -1.709 1.00 0.00 O ATOM 863 CB THR A 426 -1.512 -17.540 1.515 1.00 0.00 C ATOM 864 OG1 THR A 426 -2.448 -17.985 2.472 1.00 0.00 O ATOM 865 CG2 THR A 426 -1.264 -16.044 1.734 1.00 0.00 C ATOM 0 H THR A 426 -2.310 -19.751 0.810 1.00 0.00 H new ATOM 0 HA THR A 426 -2.902 -17.167 -0.074 1.00 0.00 H new ATOM 0 HB THR A 426 -0.574 -18.083 1.630 1.00 0.00 H new ATOM 0 HG1 THR A 426 -2.103 -17.811 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 426 -0.895 -15.881 2.746 1.00 0.00 H new ATOM 0 HG22 THR A 426 -0.524 -15.689 1.016 1.00 0.00 H new ATOM 0 HG23 THR A 426 -2.196 -15.496 1.595 1.00 0.00 H new ATOM 873 N MET A 427 0.088 -18.293 -0.985 1.00 0.00 N ATOM 874 CA MET A 427 1.204 -18.154 -1.901 1.00 0.00 C ATOM 875 C MET A 427 0.714 -18.080 -3.350 1.00 0.00 C ATOM 876 O MET A 427 1.078 -17.158 -4.070 1.00 0.00 O ATOM 877 CB MET A 427 2.166 -19.330 -1.677 1.00 0.00 C ATOM 878 CG MET A 427 3.433 -19.258 -2.541 1.00 0.00 C ATOM 879 SD MET A 427 3.905 -20.811 -3.352 1.00 0.00 S ATOM 880 CE MET A 427 2.500 -21.014 -4.477 1.00 0.00 C ATOM 0 H MET A 427 0.184 -19.089 -0.355 1.00 0.00 H new ATOM 0 HA MET A 427 1.735 -17.222 -1.707 1.00 0.00 H new ATOM 0 HB2 MET A 427 2.454 -19.359 -0.626 1.00 0.00 H new ATOM 0 HB3 MET A 427 1.643 -20.262 -1.890 1.00 0.00 H new ATOM 0 HG2 MET A 427 3.288 -18.496 -3.307 1.00 0.00 H new ATOM 0 HG3 MET A 427 4.262 -18.927 -1.915 1.00 0.00 H new ATOM 0 HE1 MET A 427 2.769 -21.707 -5.274 1.00 0.00 H new ATOM 0 HE2 MET A 427 1.647 -21.409 -3.926 1.00 0.00 H new ATOM 0 HE3 MET A 427 2.238 -20.048 -4.909 1.00 0.00 H new ATOM 890 N LYS A 428 -0.098 -19.045 -3.789 1.00 0.00 N ATOM 891 CA LYS A 428 -0.612 -19.098 -5.149 1.00 0.00 C ATOM 892 C LYS A 428 -1.485 -17.886 -5.466 1.00 0.00 C ATOM 893 O LYS A 428 -1.296 -17.264 -6.508 1.00 0.00 O ATOM 894 CB LYS A 428 -1.345 -20.426 -5.390 1.00 0.00 C ATOM 895 CG LYS A 428 -1.838 -20.533 -6.839 1.00 0.00 C ATOM 896 CD LYS A 428 -2.278 -21.951 -7.221 1.00 0.00 C ATOM 897 CE LYS A 428 -3.395 -22.483 -6.317 1.00 0.00 C ATOM 898 NZ LYS A 428 -3.971 -23.725 -6.862 1.00 0.00 N ATOM 0 H LYS A 428 -0.417 -19.815 -3.201 1.00 0.00 H new ATOM 0 HA LYS A 428 0.230 -19.056 -5.840 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -0.677 -21.258 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -2.192 -20.506 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -2.674 -19.848 -6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -1.043 -20.212 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -2.620 -21.955 -8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -1.420 -22.621 -7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -3.001 -22.669 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -4.176 -21.729 -6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -4.404 -24.274 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -4.696 -23.490 -7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -3.220 -24.289 -7.309 1.00 0.00 H new ATOM 912 N LYS A 429 -2.437 -17.550 -4.589 1.00 0.00 N ATOM 913 CA LYS A 429 -3.335 -16.421 -4.793 1.00 0.00 C ATOM 914 C LYS A 429 -2.571 -15.113 -5.013 1.00 0.00 C ATOM 915 O LYS A 429 -2.866 -14.388 -5.960 1.00 0.00 O ATOM 916 CB LYS A 429 -4.306 -16.282 -3.609 1.00 0.00 C ATOM 917 CG LYS A 429 -5.443 -17.314 -3.661 1.00 0.00 C ATOM 918 CD LYS A 429 -6.398 -17.110 -2.476 1.00 0.00 C ATOM 919 CE LYS A 429 -7.625 -18.025 -2.591 1.00 0.00 C ATOM 920 NZ LYS A 429 -8.575 -17.824 -1.478 1.00 0.00 N ATOM 0 H LYS A 429 -2.602 -18.057 -3.719 1.00 0.00 H new ATOM 0 HA LYS A 429 -3.907 -16.622 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -3.756 -16.398 -2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -4.730 -15.278 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -5.990 -17.217 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -5.030 -18.322 -3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -5.874 -17.315 -1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -6.719 -16.069 -2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -8.131 -17.835 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -7.300 -19.065 -2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -9.388 -18.462 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -8.101 -18.030 -0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -8.906 -16.838 -1.478 1.00 0.00 H new