USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 256 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 447 TYR OH : rot -121:sc= 0.485 USER MOD Set 1.2: A 459 LYS NZ :NH3+ 177:sc= 0.58 (180deg=0.543) USER MOD Set 2.1: A 449 ASN : amide:sc= -3.22! C(o=-3!,f=-15!) USER MOD Set 2.2: A 452 THR OG1 : rot -44:sc= 0.241 USER MOD Set 3.1: A 439 LYS NZ :NH3+ -157:sc= 1.25 (180deg=0) USER MOD Set 3.2: A 445 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 93:sc= -0.163 USER MOD Single : A 444 LYS NZ :NH3+ -171:sc= -0.0107 (180deg=-0.129) USER MOD Single : A 446 TYR OH : rot -110:sc= 1.26 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= 0.817 K(o=0.82,f=-0.29) USER MOD Single : A 455 SER OG : rot 25:sc= 0.062 USER MOD Single : A 456 THR OG1 : rot 170:sc= 0.332 USER MOD Single : A 461 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 464 LYS NZ :NH3+ 144:sc= -0.942! (180deg=-4.06!) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 434 2.917 5.644 -5.879 1.00 15.00 N ATOM 29 CA GLU A 434 3.995 4.829 -5.345 1.00 15.00 C ATOM 30 C GLU A 434 3.455 3.776 -4.380 1.00 15.00 C ATOM 31 O GLU A 434 4.219 3.055 -3.735 1.00 15.00 O ATOM 32 CB GLU A 434 5.013 5.726 -4.635 1.00 15.00 C ATOM 33 CG GLU A 434 6.374 5.085 -4.467 1.00 15.00 C ATOM 34 CD GLU A 434 7.018 4.722 -5.788 1.00 15.00 C ATOM 35 OE1 GLU A 434 7.341 5.639 -6.570 1.00 15.00 O ATOM 36 OE2 GLU A 434 7.226 3.521 -6.039 1.00 15.00 O1- ATOM 0 HA GLU A 434 4.483 4.311 -6.170 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.124 6.652 -5.199 1.00 15.00 H new ATOM 0 HB3 GLU A 434 4.624 5.996 -3.653 1.00 15.00 H new ATOM 0 HG2 GLU A 434 7.028 5.768 -3.925 1.00 15.00 H new ATOM 0 HG3 GLU A 434 6.275 4.187 -3.857 1.00 15.00 H new ATOM 43 N TRP A 435 2.141 3.687 -4.288 1.00 15.00 N ATOM 44 CA TRP A 435 1.511 2.701 -3.424 1.00 15.00 C ATOM 45 C TRP A 435 1.192 1.436 -4.209 1.00 15.00 C ATOM 46 O TRP A 435 0.338 1.444 -5.090 1.00 15.00 O ATOM 47 CB TRP A 435 0.225 3.252 -2.800 1.00 15.00 C ATOM 48 CG TRP A 435 0.438 4.421 -1.887 1.00 15.00 C ATOM 49 CD1 TRP A 435 0.353 5.744 -2.214 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.759 4.372 -0.493 1.00 15.00 C ATOM 51 NE1 TRP A 435 0.607 6.519 -1.109 1.00 15.00 N ATOM 52 CE2 TRP A 435 0.859 5.701 -0.041 1.00 15.00 C ATOM 53 CE3 TRP A 435 0.975 3.333 0.418 1.00 15.00 C ATOM 54 CZ2 TRP A 435 1.164 6.017 1.280 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.277 3.648 1.728 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.370 4.981 2.148 1.00 15.00 C ATOM 0 H TRP A 435 1.489 4.283 -4.799 1.00 15.00 H new ATOM 0 HA TRP A 435 2.213 2.465 -2.624 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -0.455 3.548 -3.599 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -0.266 2.454 -2.242 1.00 15.00 H new ATOM 0 HD1 TRP A 435 0.120 6.125 -3.197 1.00 15.00 H new ATOM 0 HE1 TRP A 435 0.608 7.539 -1.088 1.00 15.00 H new ATOM 0 HE3 TRP A 435 0.907 2.302 0.102 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.235 7.044 1.607 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.444 2.854 2.440 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.609 5.195 3.179 1.00 15.00 H new ATOM 67 N THR A 436 1.892 0.358 -3.906 1.00 15.00 N ATOM 68 CA THR A 436 1.613 -0.917 -4.540 1.00 15.00 C ATOM 69 C THR A 436 0.861 -1.819 -3.565 1.00 15.00 C ATOM 70 O THR A 436 1.262 -1.978 -2.412 1.00 15.00 O ATOM 71 CB THR A 436 2.906 -1.607 -5.049 1.00 15.00 C ATOM 72 OG1 THR A 436 2.581 -2.813 -5.755 1.00 15.00 O ATOM 73 CG2 THR A 436 3.867 -1.929 -3.910 1.00 15.00 C ATOM 0 H THR A 436 2.654 0.340 -3.228 1.00 15.00 H new ATOM 0 HA THR A 436 0.989 -0.733 -5.415 1.00 15.00 H new ATOM 0 HB THR A 436 3.402 -0.907 -5.722 1.00 15.00 H new ATOM 0 HG1 THR A 436 3.405 -3.238 -6.073 1.00 15.00 H new ATOM 0 HG21 THR A 436 4.758 -2.411 -4.311 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.151 -1.007 -3.402 1.00 15.00 H new ATOM 0 HG23 THR A 436 3.380 -2.599 -3.202 1.00 15.00 H new ATOM 81 N GLU A 437 -0.252 -2.370 -4.020 1.00 15.00 N ATOM 82 CA GLU A 437 -1.081 -3.218 -3.177 1.00 15.00 C ATOM 83 C GLU A 437 -0.788 -4.687 -3.448 1.00 15.00 C ATOM 84 O GLU A 437 -0.886 -5.157 -4.584 1.00 15.00 O ATOM 85 CB GLU A 437 -2.564 -2.894 -3.399 1.00 15.00 C ATOM 86 CG GLU A 437 -3.002 -2.936 -4.855 1.00 15.00 C ATOM 87 CD GLU A 437 -4.343 -2.265 -5.084 1.00 15.00 C ATOM 88 OE1 GLU A 437 -5.272 -2.471 -4.277 1.00 15.00 O ATOM 89 OE2 GLU A 437 -4.479 -1.539 -6.091 1.00 15.00 O1- ATOM 0 H GLU A 437 -0.603 -2.246 -4.969 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.844 -3.020 -2.132 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -3.168 -3.601 -2.830 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -2.771 -1.902 -2.998 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -2.247 -2.448 -5.471 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -3.059 -3.974 -5.183 1.00 15.00 H new ATOM 96 N ARG A 438 -0.407 -5.400 -2.400 1.00 15.00 N ATOM 97 CA ARG A 438 -0.063 -6.809 -2.517 1.00 15.00 C ATOM 98 C ARG A 438 -0.882 -7.640 -1.536 1.00 15.00 C ATOM 99 O ARG A 438 -1.220 -7.176 -0.445 1.00 15.00 O ATOM 100 CB ARG A 438 1.439 -7.007 -2.275 1.00 15.00 C ATOM 101 CG ARG A 438 1.882 -8.459 -2.360 1.00 15.00 C ATOM 102 CD ARG A 438 3.339 -8.585 -2.765 1.00 15.00 C ATOM 103 NE ARG A 438 4.258 -8.007 -1.788 1.00 15.00 N ATOM 104 CZ ARG A 438 5.566 -7.858 -2.006 1.00 15.00 C ATOM 105 NH1 ARG A 438 6.095 -8.214 -3.170 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 6.346 -7.357 -1.060 1.00 15.00 N ATOM 0 H ARG A 438 -0.328 -5.025 -1.455 1.00 15.00 H new ATOM 0 HA ARG A 438 -0.298 -7.146 -3.527 1.00 15.00 H new ATOM 0 HB2 ARG A 438 1.997 -6.422 -3.006 1.00 15.00 H new ATOM 0 HB3 ARG A 438 1.695 -6.615 -1.291 1.00 15.00 H new ATOM 0 HG2 ARG A 438 1.731 -8.941 -1.394 1.00 15.00 H new ATOM 0 HG3 ARG A 438 1.258 -8.987 -3.081 1.00 15.00 H new ATOM 0 HD2 ARG A 438 3.581 -9.639 -2.904 1.00 15.00 H new ATOM 0 HD3 ARG A 438 3.486 -8.095 -3.727 1.00 15.00 H new ATOM 0 HE ARG A 438 3.880 -7.701 -0.891 1.00 15.00 H new ATOM 0 HH11 ARG A 438 5.501 -8.603 -3.902 1.00 15.00 H new ATOM 0 HH12 ARG A 438 7.095 -8.098 -3.332 1.00 15.00 H new ATOM 0 HH21 ARG A 438 5.947 -7.084 -0.162 1.00 15.00 H new ATOM 0 HH22 ARG A 438 7.345 -7.244 -1.230 1.00 15.00 H new ATOM 120 N LYS A 439 -1.182 -8.869 -1.925 1.00 15.00 N ATOM 121 CA LYS A 439 -1.988 -9.754 -1.104 1.00 15.00 C ATOM 122 C LYS A 439 -1.109 -10.570 -0.163 1.00 15.00 C ATOM 123 O LYS A 439 -0.246 -11.330 -0.603 1.00 15.00 O ATOM 124 CB LYS A 439 -2.805 -10.698 -1.989 1.00 15.00 C ATOM 125 CG LYS A 439 -3.732 -11.618 -1.208 1.00 15.00 C ATOM 126 CD LYS A 439 -4.875 -10.850 -0.565 1.00 15.00 C ATOM 127 CE LYS A 439 -5.832 -10.298 -1.611 1.00 15.00 C ATOM 128 NZ LYS A 439 -6.975 -9.577 -0.995 1.00 15.00 N1+ ATOM 0 H LYS A 439 -0.877 -9.276 -2.809 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.664 -9.141 -0.508 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.398 -10.106 -2.686 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -2.123 -11.304 -2.585 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.135 -12.380 -1.875 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.164 -12.138 -0.437 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.417 -11.505 0.117 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.474 -10.031 0.032 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -5.293 -9.622 -2.275 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -6.208 -11.116 -2.226 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -7.774 -9.559 -1.661 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -7.263 -10.064 -0.122 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -6.690 -8.602 -0.770 1.00 15.00 H new ATOM 142 N THR A 440 -1.329 -10.399 1.127 1.00 15.00 N ATOM 143 CA THR A 440 -0.647 -11.191 2.132 1.00 15.00 C ATOM 144 C THR A 440 -1.472 -12.445 2.429 1.00 15.00 C ATOM 145 O THR A 440 -2.703 -12.383 2.464 1.00 15.00 O ATOM 146 CB THR A 440 -0.438 -10.365 3.420 1.00 15.00 C ATOM 147 OG1 THR A 440 0.293 -9.176 3.109 1.00 15.00 O ATOM 148 CG2 THR A 440 0.316 -11.152 4.479 1.00 15.00 C ATOM 0 H THR A 440 -1.981 -9.712 1.506 1.00 15.00 H new ATOM 0 HA THR A 440 0.333 -11.484 1.756 1.00 15.00 H new ATOM 0 HB THR A 440 -1.421 -10.116 3.820 1.00 15.00 H new ATOM 0 HG1 THR A 440 -0.334 -8.444 2.930 1.00 15.00 H new ATOM 0 HG21 THR A 440 0.442 -10.536 5.369 1.00 15.00 H new ATOM 0 HG22 THR A 440 -0.248 -12.049 4.736 1.00 15.00 H new ATOM 0 HG23 THR A 440 1.295 -11.437 4.093 1.00 15.00 H new ATOM 156 N ALA A 441 -0.790 -13.571 2.647 1.00 15.00 N ATOM 157 CA ALA A 441 -1.441 -14.874 2.808 1.00 15.00 C ATOM 158 C ALA A 441 -2.390 -14.914 4.006 1.00 15.00 C ATOM 159 O ALA A 441 -3.170 -15.854 4.161 1.00 15.00 O ATOM 160 CB ALA A 441 -0.392 -15.969 2.932 1.00 15.00 C ATOM 0 H ALA A 441 0.227 -13.606 2.717 1.00 15.00 H new ATOM 0 HA ALA A 441 -2.046 -15.043 1.917 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -0.885 -16.934 3.051 1.00 15.00 H new ATOM 0 HB2 ALA A 441 0.225 -15.985 2.033 1.00 15.00 H new ATOM 0 HB3 ALA A 441 0.237 -15.773 3.800 1.00 15.00 H new ATOM 166 N ASP A 442 -2.314 -13.898 4.853 1.00 15.00 N ATOM 167 CA ASP A 442 -3.205 -13.781 5.999 1.00 15.00 C ATOM 168 C ASP A 442 -4.603 -13.348 5.548 1.00 15.00 C ATOM 169 O ASP A 442 -5.563 -13.376 6.322 1.00 15.00 O ATOM 170 CB ASP A 442 -2.629 -12.780 7.005 1.00 15.00 C ATOM 171 CG ASP A 442 -3.409 -12.725 8.301 1.00 15.00 C ATOM 172 OD1 ASP A 442 -3.372 -13.713 9.063 1.00 15.00 O ATOM 173 OD2 ASP A 442 -4.040 -11.686 8.580 1.00 15.00 O1- ATOM 0 H ASP A 442 -1.640 -13.138 4.767 1.00 15.00 H new ATOM 0 HA ASP A 442 -3.290 -14.754 6.482 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -1.594 -13.046 7.222 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -2.615 -11.788 6.554 1.00 15.00 H new ATOM 178 N GLY A 443 -4.707 -12.950 4.286 1.00 15.00 N ATOM 179 CA GLY A 443 -5.981 -12.544 3.734 1.00 15.00 C ATOM 180 C GLY A 443 -6.166 -11.044 3.756 1.00 15.00 C ATOM 181 O GLY A 443 -7.293 -10.553 3.782 1.00 15.00 O ATOM 0 H GLY A 443 -3.925 -12.902 3.633 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.060 -12.902 2.708 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -6.785 -13.015 4.299 1.00 15.00 H new ATOM 185 N LYS A 444 -5.060 -10.313 3.737 1.00 15.00 N ATOM 186 CA LYS A 444 -5.110 -8.859 3.804 1.00 15.00 C ATOM 187 C LYS A 444 -4.331 -8.245 2.650 1.00 15.00 C ATOM 188 O LYS A 444 -3.260 -8.731 2.285 1.00 15.00 O ATOM 189 CB LYS A 444 -4.535 -8.360 5.135 1.00 15.00 C ATOM 190 CG LYS A 444 -5.215 -8.939 6.363 1.00 15.00 C ATOM 191 CD LYS A 444 -4.740 -8.251 7.631 1.00 15.00 C ATOM 192 CE LYS A 444 -5.328 -8.896 8.875 1.00 15.00 C ATOM 193 NZ LYS A 444 -6.814 -8.913 8.861 1.00 15.00 N1+ ATOM 0 H LYS A 444 -4.119 -10.702 3.676 1.00 15.00 H new ATOM 0 HA LYS A 444 -6.154 -8.554 3.732 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -3.473 -8.603 5.173 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -4.615 -7.273 5.168 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -6.295 -8.829 6.269 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -5.008 -10.007 6.427 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -3.652 -8.290 7.681 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -5.020 -7.198 7.600 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -4.957 -9.917 8.960 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -4.983 -8.357 9.757 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -7.166 -9.221 9.790 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -7.170 -7.958 8.655 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -7.147 -9.572 8.129 1.00 15.00 H new ATOM 207 N THR A 445 -4.863 -7.172 2.093 1.00 15.00 N ATOM 208 CA THR A 445 -4.196 -6.459 1.017 1.00 15.00 C ATOM 209 C THR A 445 -3.521 -5.209 1.571 1.00 15.00 C ATOM 210 O THR A 445 -4.194 -4.256 1.967 1.00 15.00 O ATOM 211 CB THR A 445 -5.202 -6.050 -0.073 1.00 15.00 C ATOM 212 OG1 THR A 445 -6.211 -7.064 -0.201 1.00 15.00 O ATOM 213 CG2 THR A 445 -4.507 -5.842 -1.411 1.00 15.00 C ATOM 0 H THR A 445 -5.760 -6.773 2.370 1.00 15.00 H new ATOM 0 HA THR A 445 -3.450 -7.121 0.577 1.00 15.00 H new ATOM 0 HB THR A 445 -5.663 -5.107 0.220 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.852 -6.802 -0.894 1.00 15.00 H new ATOM 0 HG21 THR A 445 -5.242 -5.554 -2.162 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.759 -5.055 -1.314 1.00 15.00 H new ATOM 0 HG23 THR A 445 -4.021 -6.768 -1.716 1.00 15.00 H new ATOM 221 N TYR A 446 -2.197 -5.217 1.620 1.00 15.00 N ATOM 222 CA TYR A 446 -1.463 -4.113 2.221 1.00 15.00 C ATOM 223 C TYR A 446 -0.825 -3.234 1.152 1.00 15.00 C ATOM 224 O TYR A 446 -0.373 -3.724 0.113 1.00 15.00 O ATOM 225 CB TYR A 446 -0.399 -4.646 3.192 1.00 15.00 C ATOM 226 CG TYR A 446 0.833 -5.238 2.537 1.00 15.00 C ATOM 227 CD1 TYR A 446 0.785 -6.472 1.906 1.00 15.00 C ATOM 228 CD2 TYR A 446 2.048 -4.566 2.568 1.00 15.00 C ATOM 229 CE1 TYR A 446 1.912 -7.021 1.325 1.00 15.00 C ATOM 230 CE2 TYR A 446 3.180 -5.107 1.986 1.00 15.00 C ATOM 231 CZ TYR A 446 3.105 -6.336 1.365 1.00 15.00 C ATOM 232 OH TYR A 446 4.230 -6.885 0.790 1.00 15.00 O ATOM 0 H TYR A 446 -1.613 -5.969 1.254 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.168 -3.499 2.781 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -0.087 -3.832 3.847 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -0.856 -5.407 3.825 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -0.149 -7.013 1.868 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.110 -3.604 3.055 1.00 15.00 H new ATOM 0 HE1 TYR A 446 1.857 -7.985 0.841 1.00 15.00 H new ATOM 0 HE2 TYR A 446 4.117 -4.570 2.018 1.00 15.00 H new ATOM 0 HH TYR A 446 4.862 -7.147 1.492 1.00 15.00 H new ATOM 242 N TYR A 447 -0.777 -1.938 1.421 1.00 15.00 N ATOM 243 CA TYR A 447 -0.205 -0.984 0.488 1.00 15.00 C ATOM 244 C TYR A 447 1.218 -0.618 0.896 1.00 15.00 C ATOM 245 O TYR A 447 1.455 -0.095 1.988 1.00 15.00 O ATOM 246 CB TYR A 447 -1.078 0.269 0.399 1.00 15.00 C ATOM 247 CG TYR A 447 -2.372 0.053 -0.356 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.504 -0.449 0.279 1.00 15.00 C ATOM 249 CD2 TYR A 447 -2.460 0.351 -1.711 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.682 -0.647 -0.416 1.00 15.00 C ATOM 251 CE2 TYR A 447 -3.635 0.156 -2.411 1.00 15.00 C ATOM 252 CZ TYR A 447 -4.741 -0.345 -1.760 1.00 15.00 C ATOM 253 OH TYR A 447 -5.913 -0.542 -2.456 1.00 15.00 O ATOM 0 H TYR A 447 -1.130 -1.523 2.283 1.00 15.00 H new ATOM 0 HA TYR A 447 -0.169 -1.449 -0.497 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.308 0.614 1.407 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.511 1.063 -0.088 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.461 -0.688 1.331 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -1.595 0.742 -2.226 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.552 -1.036 0.091 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -3.686 0.395 -3.463 1.00 15.00 H new ATOM 0 HH TYR A 447 -5.755 -1.169 -3.193 1.00 15.00 H new ATOM 263 N TYR A 448 2.154 -0.921 0.015 1.00 15.00 N ATOM 264 CA TYR A 448 3.561 -0.646 0.246 1.00 15.00 C ATOM 265 C TYR A 448 4.006 0.567 -0.567 1.00 15.00 C ATOM 266 O TYR A 448 3.924 0.563 -1.795 1.00 15.00 O ATOM 267 CB TYR A 448 4.385 -1.882 -0.136 1.00 15.00 C ATOM 268 CG TYR A 448 5.885 -1.713 -0.011 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.514 -1.750 1.230 1.00 15.00 C ATOM 270 CD2 TYR A 448 6.676 -1.537 -1.141 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.885 -1.620 1.337 1.00 15.00 C ATOM 272 CE2 TYR A 448 8.047 -1.403 -1.041 1.00 15.00 C ATOM 273 CZ TYR A 448 8.647 -1.445 0.199 1.00 15.00 C ATOM 274 OH TYR A 448 10.018 -1.325 0.301 1.00 15.00 O ATOM 0 H TYR A 448 1.960 -1.365 -0.882 1.00 15.00 H new ATOM 0 HA TYR A 448 3.718 -0.421 1.301 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.074 -2.716 0.493 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.149 -2.154 -1.165 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.921 -1.882 2.123 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.210 -1.504 -2.115 1.00 15.00 H new ATOM 0 HE1 TYR A 448 8.359 -1.655 2.307 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.645 -1.266 -1.930 1.00 15.00 H new ATOM 0 HH TYR A 448 10.404 -1.209 -0.592 1.00 15.00 H new ATOM 284 N ASN A 449 4.458 1.606 0.121 1.00 15.00 N ATOM 285 CA ASN A 449 4.927 2.819 -0.535 1.00 15.00 C ATOM 286 C ASN A 449 6.447 2.831 -0.610 1.00 15.00 C ATOM 287 O ASN A 449 7.123 2.713 0.412 1.00 15.00 O ATOM 288 CB ASN A 449 4.457 4.054 0.227 1.00 15.00 C ATOM 289 CG ASN A 449 4.833 5.332 -0.476 1.00 15.00 C ATOM 290 OD1 ASN A 449 5.949 5.808 -0.336 1.00 15.00 O ATOM 291 ND2 ASN A 449 3.903 5.904 -1.223 1.00 15.00 N ATOM 0 H ASN A 449 4.510 1.633 1.139 1.00 15.00 H new ATOM 0 HA ASN A 449 4.514 2.836 -1.544 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.375 4.013 0.350 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.891 4.050 1.227 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.106 6.777 -1.710 1.00 15.00 H new ATOM 0 HD22 ASN A 449 2.983 5.472 -1.312 1.00 15.00 H new ATOM 298 N ASN A 450 6.979 3.004 -1.810 1.00 15.00 N ATOM 299 CA ASN A 450 8.420 2.940 -2.021 1.00 15.00 C ATOM 300 C ASN A 450 9.052 4.339 -2.006 1.00 15.00 C ATOM 301 O ASN A 450 10.270 4.470 -1.994 1.00 15.00 O ATOM 302 CB ASN A 450 8.714 2.240 -3.354 1.00 15.00 C ATOM 303 CG ASN A 450 10.065 1.534 -3.406 1.00 15.00 C ATOM 304 OD1 ASN A 450 10.196 0.496 -4.054 1.00 15.00 O ATOM 305 ND2 ASN A 450 11.079 2.088 -2.760 1.00 15.00 N ATOM 0 H ASN A 450 6.436 3.190 -2.653 1.00 15.00 H new ATOM 0 HA ASN A 450 8.861 2.369 -1.204 1.00 15.00 H new ATOM 0 HB2 ASN A 450 7.928 1.511 -3.549 1.00 15.00 H new ATOM 0 HB3 ASN A 450 8.671 2.977 -4.156 1.00 15.00 H new ATOM 0 HD21 ASN A 450 12.002 1.654 -2.791 1.00 15.00 H new ATOM 0 HD22 ASN A 450 10.938 2.949 -2.232 1.00 15.00 H new ATOM 312 N ARG A 451 8.231 5.386 -2.003 1.00 15.00 N ATOM 313 CA ARG A 451 8.766 6.747 -2.050 1.00 15.00 C ATOM 314 C ARG A 451 9.185 7.198 -0.651 1.00 15.00 C ATOM 315 O ARG A 451 10.032 8.074 -0.500 1.00 15.00 O ATOM 316 CB ARG A 451 7.758 7.746 -2.658 1.00 15.00 C ATOM 317 CG ARG A 451 6.691 8.213 -1.678 1.00 15.00 C ATOM 318 CD ARG A 451 5.639 9.097 -2.327 1.00 15.00 C ATOM 319 NE ARG A 451 4.577 9.432 -1.376 1.00 15.00 N ATOM 320 CZ ARG A 451 3.295 9.594 -1.696 1.00 15.00 C ATOM 321 NH1 ARG A 451 2.903 9.561 -2.962 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 2.408 9.816 -0.740 1.00 15.00 N ATOM 0 H ARG A 451 7.213 5.324 -1.969 1.00 15.00 H new ATOM 0 HA ARG A 451 9.641 6.733 -2.700 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.301 8.614 -3.031 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.272 7.281 -3.516 1.00 15.00 H new ATOM 0 HG2 ARG A 451 6.205 7.343 -1.236 1.00 15.00 H new ATOM 0 HG3 ARG A 451 7.167 8.760 -0.864 1.00 15.00 H new ATOM 0 HD2 ARG A 451 6.104 10.011 -2.696 1.00 15.00 H new ATOM 0 HD3 ARG A 451 5.212 8.586 -3.190 1.00 15.00 H new ATOM 0 HE ARG A 451 4.839 9.550 -0.397 1.00 15.00 H new ATOM 0 HH11 ARG A 451 3.587 9.410 -3.704 1.00 15.00 H new ATOM 0 HH12 ARG A 451 1.918 9.686 -3.194 1.00 15.00 H new ATOM 0 HH21 ARG A 451 2.708 9.862 0.234 1.00 15.00 H new ATOM 0 HH22 ARG A 451 1.424 9.941 -0.977 1.00 15.00 H new ATOM 336 N THR A 452 8.561 6.614 0.365 1.00 15.00 N ATOM 337 CA THR A 452 8.909 6.911 1.748 1.00 15.00 C ATOM 338 C THR A 452 9.205 5.639 2.535 1.00 15.00 C ATOM 339 O THR A 452 9.654 5.708 3.682 1.00 15.00 O ATOM 340 CB THR A 452 7.782 7.692 2.452 1.00 15.00 C ATOM 341 OG1 THR A 452 6.518 7.066 2.195 1.00 15.00 O ATOM 342 CG2 THR A 452 7.747 9.138 1.983 1.00 15.00 C ATOM 0 H THR A 452 7.811 5.931 0.256 1.00 15.00 H new ATOM 0 HA THR A 452 9.808 7.527 1.721 1.00 15.00 H new ATOM 0 HB THR A 452 7.979 7.683 3.524 1.00 15.00 H new ATOM 0 HG1 THR A 452 6.458 6.827 1.247 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.943 9.667 2.495 1.00 15.00 H new ATOM 0 HG22 THR A 452 8.699 9.617 2.210 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.574 9.168 0.907 1.00 15.00 H new ATOM 350 N LEU A 453 8.948 4.482 1.909 1.00 15.00 N ATOM 351 CA LEU A 453 9.192 3.173 2.533 1.00 15.00 C ATOM 352 C LEU A 453 8.171 2.920 3.634 1.00 15.00 C ATOM 353 O LEU A 453 8.429 2.194 4.597 1.00 15.00 O ATOM 354 CB LEU A 453 10.625 3.066 3.088 1.00 15.00 C ATOM 355 CG LEU A 453 11.722 2.789 2.051 1.00 15.00 C ATOM 356 CD1 LEU A 453 11.399 1.536 1.255 1.00 15.00 C ATOM 357 CD2 LEU A 453 11.915 3.979 1.122 1.00 15.00 C ATOM 0 H LEU A 453 8.568 4.426 0.964 1.00 15.00 H new ATOM 0 HA LEU A 453 9.082 2.409 1.764 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.865 3.995 3.604 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.647 2.272 3.834 1.00 15.00 H new ATOM 0 HG LEU A 453 12.657 2.628 2.587 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.188 1.355 0.525 1.00 15.00 H new ATOM 0 HD12 LEU A 453 11.328 0.684 1.931 1.00 15.00 H new ATOM 0 HD13 LEU A 453 10.449 1.669 0.738 1.00 15.00 H new ATOM 0 HD21 LEU A 453 12.698 3.753 0.399 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.983 4.184 0.595 1.00 15.00 H new ATOM 0 HD23 LEU A 453 12.202 4.854 1.706 1.00 15.00 H new ATOM 369 N GLU A 454 6.988 3.475 3.438 1.00 15.00 N ATOM 370 CA GLU A 454 5.918 3.393 4.419 1.00 15.00 C ATOM 371 C GLU A 454 4.855 2.416 3.922 1.00 15.00 C ATOM 372 O GLU A 454 4.410 2.507 2.783 1.00 15.00 O ATOM 373 CB GLU A 454 5.317 4.786 4.624 1.00 15.00 C ATOM 374 CG GLU A 454 4.816 5.057 6.034 1.00 15.00 C ATOM 375 CD GLU A 454 3.602 4.232 6.410 1.00 15.00 C ATOM 376 OE1 GLU A 454 2.471 4.664 6.100 1.00 15.00 O1- ATOM 377 OE2 GLU A 454 3.778 3.159 7.024 1.00 15.00 O ATOM 0 H GLU A 454 6.741 3.995 2.596 1.00 15.00 H new ATOM 0 HA GLU A 454 6.306 3.034 5.372 1.00 15.00 H new ATOM 0 HB2 GLU A 454 6.069 5.533 4.370 1.00 15.00 H new ATOM 0 HB3 GLU A 454 4.489 4.917 3.927 1.00 15.00 H new ATOM 0 HG2 GLU A 454 5.619 4.852 6.742 1.00 15.00 H new ATOM 0 HG3 GLU A 454 4.570 6.115 6.127 1.00 15.00 H new ATOM 384 N SER A 455 4.451 1.488 4.766 1.00 15.00 N ATOM 385 CA SER A 455 3.474 0.492 4.372 1.00 15.00 C ATOM 386 C SER A 455 2.289 0.509 5.329 1.00 15.00 C ATOM 387 O SER A 455 2.447 0.333 6.538 1.00 15.00 O ATOM 388 CB SER A 455 4.117 -0.899 4.333 1.00 15.00 C ATOM 389 OG SER A 455 3.260 -1.837 3.708 1.00 15.00 O ATOM 0 H SER A 455 4.783 1.402 5.727 1.00 15.00 H new ATOM 0 HA SER A 455 3.113 0.731 3.372 1.00 15.00 H new ATOM 0 HB2 SER A 455 5.064 -0.851 3.795 1.00 15.00 H new ATOM 0 HB3 SER A 455 4.343 -1.227 5.347 1.00 15.00 H new ATOM 0 HG SER A 455 2.651 -1.369 3.100 1.00 15.00 H new ATOM 395 N THR A 456 1.103 0.714 4.783 1.00 15.00 N ATOM 396 CA THR A 456 -0.100 0.790 5.585 1.00 15.00 C ATOM 397 C THR A 456 -1.116 -0.255 5.138 1.00 15.00 C ATOM 398 O THR A 456 -1.147 -0.655 3.970 1.00 15.00 O ATOM 399 CB THR A 456 -0.731 2.200 5.527 1.00 15.00 C ATOM 400 OG1 THR A 456 -1.914 2.255 6.333 1.00 15.00 O ATOM 401 CG2 THR A 456 -1.073 2.597 4.100 1.00 15.00 C ATOM 0 H THR A 456 0.950 0.831 3.781 1.00 15.00 H new ATOM 0 HA THR A 456 0.184 0.587 6.617 1.00 15.00 H new ATOM 0 HB THR A 456 0.006 2.903 5.915 1.00 15.00 H new ATOM 0 HG1 THR A 456 -2.210 3.186 6.417 1.00 15.00 H new ATOM 0 HG21 THR A 456 -1.515 3.593 4.095 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.166 2.599 3.496 1.00 15.00 H new ATOM 0 HG23 THR A 456 -1.784 1.883 3.684 1.00 15.00 H new ATOM 409 N TRP A 457 -1.925 -0.716 6.081 1.00 15.00 N ATOM 410 CA TRP A 457 -2.977 -1.676 5.788 1.00 15.00 C ATOM 411 C TRP A 457 -4.253 -0.942 5.388 1.00 15.00 C ATOM 412 O TRP A 457 -5.265 -1.557 5.055 1.00 15.00 O ATOM 413 CB TRP A 457 -3.237 -2.568 7.006 1.00 15.00 C ATOM 414 CG TRP A 457 -2.033 -3.348 7.442 1.00 15.00 C ATOM 415 CD1 TRP A 457 -1.096 -2.965 8.358 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.631 -4.644 6.979 1.00 15.00 C ATOM 417 NE1 TRP A 457 -0.139 -3.940 8.495 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.445 -4.980 7.659 1.00 15.00 C ATOM 419 CE3 TRP A 457 -2.157 -5.553 6.059 1.00 15.00 C ATOM 420 CZ2 TRP A 457 0.222 -6.185 7.446 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.497 -6.749 5.847 1.00 15.00 C ATOM 422 CH2 TRP A 457 -0.317 -7.057 6.537 1.00 15.00 C ATOM 0 H TRP A 457 -1.871 -0.438 7.061 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.658 -2.307 4.959 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -3.578 -1.948 7.835 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -4.045 -3.262 6.773 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -1.106 -2.029 8.897 1.00 15.00 H new ATOM 0 HE1 TRP A 457 0.668 -3.897 9.118 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -3.066 -5.325 5.521 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 1.131 -6.423 7.978 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.898 -7.458 5.138 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.177 -7.999 6.349 1.00 15.00 H new ATOM 433 N GLU A 458 -4.188 0.382 5.429 1.00 15.00 N ATOM 434 CA GLU A 458 -5.316 1.224 5.063 1.00 15.00 C ATOM 435 C GLU A 458 -5.217 1.626 3.595 1.00 15.00 C ATOM 436 O GLU A 458 -4.122 1.842 3.075 1.00 15.00 O ATOM 437 CB GLU A 458 -5.341 2.467 5.960 1.00 15.00 C ATOM 438 CG GLU A 458 -6.507 3.407 5.688 1.00 15.00 C ATOM 439 CD GLU A 458 -7.856 2.726 5.820 1.00 15.00 C ATOM 440 OE1 GLU A 458 -8.347 2.170 4.816 1.00 15.00 O ATOM 441 OE2 GLU A 458 -8.435 2.748 6.925 1.00 15.00 O1- ATOM 0 H GLU A 458 -3.357 0.899 5.715 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.242 0.667 5.204 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -5.380 2.149 7.002 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -4.408 3.015 5.829 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -6.460 4.247 6.381 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -6.410 3.818 4.683 1.00 15.00 H new ATOM 448 N LYS A 459 -6.363 1.741 2.938 1.00 15.00 N ATOM 449 CA LYS A 459 -6.405 2.098 1.528 1.00 15.00 C ATOM 450 C LYS A 459 -6.188 3.603 1.364 1.00 15.00 C ATOM 451 O LYS A 459 -7.015 4.406 1.799 1.00 15.00 O ATOM 452 CB LYS A 459 -7.752 1.684 0.923 1.00 15.00 C ATOM 453 CG LYS A 459 -7.719 1.491 -0.586 1.00 15.00 C ATOM 454 CD LYS A 459 -9.068 1.027 -1.113 1.00 15.00 C ATOM 455 CE LYS A 459 -8.954 0.379 -2.486 1.00 15.00 C ATOM 456 NZ LYS A 459 -8.419 1.308 -3.516 1.00 15.00 N1+ ATOM 0 H LYS A 459 -7.279 1.591 3.361 1.00 15.00 H new ATOM 0 HA LYS A 459 -5.609 1.571 1.002 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -8.079 0.755 1.391 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -8.496 2.442 1.166 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -7.440 2.428 -1.069 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -6.954 0.759 -0.845 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -9.505 0.316 -0.412 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -9.747 1.878 -1.169 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -8.305 -0.494 -2.418 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -9.936 0.023 -2.798 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -8.314 0.802 -4.419 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -9.076 2.105 -3.640 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -7.492 1.668 -3.211 1.00 15.00 H new ATOM 470 N PRO A 460 -5.059 4.000 0.755 1.00 15.00 N ATOM 471 CA PRO A 460 -4.699 5.410 0.582 1.00 15.00 C ATOM 472 C PRO A 460 -5.613 6.121 -0.411 1.00 15.00 C ATOM 473 O PRO A 460 -5.993 5.551 -1.435 1.00 15.00 O ATOM 474 CB PRO A 460 -3.269 5.346 0.038 1.00 15.00 C ATOM 475 CG PRO A 460 -3.165 4.012 -0.614 1.00 15.00 C ATOM 476 CD PRO A 460 -4.044 3.097 0.187 1.00 15.00 C ATOM 0 HA PRO A 460 -4.792 5.973 1.511 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.081 6.149 -0.674 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.537 5.452 0.839 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -3.492 4.058 -1.653 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.134 3.658 -0.619 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -4.497 2.328 -0.438 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.482 2.584 0.968 1.00 15.00 H new ATOM 484 N GLN A 461 -5.921 7.380 -0.125 1.00 15.00 N ATOM 485 CA GLN A 461 -6.807 8.172 -0.973 1.00 15.00 C ATOM 486 C GLN A 461 -6.137 8.498 -2.313 1.00 15.00 C ATOM 487 O GLN A 461 -6.777 8.994 -3.242 1.00 15.00 O ATOM 488 CB GLN A 461 -7.215 9.454 -0.244 1.00 15.00 C ATOM 489 CG GLN A 461 -8.276 10.273 -0.960 1.00 15.00 C ATOM 490 CD GLN A 461 -8.745 11.453 -0.137 1.00 15.00 C ATOM 491 OE1 GLN A 461 -7.997 11.998 0.676 1.00 15.00 O ATOM 492 NE2 GLN A 461 -9.987 11.859 -0.342 1.00 15.00 N ATOM 0 H GLN A 461 -5.569 7.878 0.692 1.00 15.00 H new ATOM 0 HA GLN A 461 -7.702 7.587 -1.184 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -7.584 9.192 0.748 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -6.330 10.074 -0.101 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.876 10.631 -1.909 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -9.128 9.635 -1.194 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -10.574 11.380 -1.025 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -10.358 12.651 0.183 1.00 15.00 H new ATOM 501 N GLU A 462 -4.843 8.216 -2.407 1.00 15.00 N ATOM 502 CA GLU A 462 -4.116 8.380 -3.659 1.00 15.00 C ATOM 503 C GLU A 462 -4.508 7.286 -4.647 1.00 15.00 C ATOM 504 O GLU A 462 -4.325 7.424 -5.854 1.00 15.00 O ATOM 505 CB GLU A 462 -2.605 8.342 -3.425 1.00 15.00 C ATOM 506 CG GLU A 462 -2.081 9.502 -2.597 1.00 15.00 C ATOM 507 CD GLU A 462 -0.584 9.423 -2.374 1.00 15.00 C ATOM 508 OE1 GLU A 462 0.181 9.586 -3.349 1.00 15.00 O1- ATOM 509 OE2 GLU A 462 -0.166 9.181 -1.224 1.00 15.00 O ATOM 0 H GLU A 462 -4.276 7.873 -1.631 1.00 15.00 H new ATOM 0 HA GLU A 462 -4.380 9.353 -4.074 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -2.348 7.407 -2.927 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -2.098 8.339 -4.390 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -2.322 10.440 -3.097 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -2.589 9.515 -1.633 1.00 15.00 H new ATOM 516 N LEU A 463 -5.025 6.187 -4.110 1.00 15.00 N ATOM 517 CA LEU A 463 -5.444 5.048 -4.917 1.00 15.00 C ATOM 518 C LEU A 463 -6.829 4.587 -4.481 1.00 15.00 C ATOM 519 O LEU A 463 -7.179 3.421 -4.638 1.00 15.00 O ATOM 520 CB LEU A 463 -4.455 3.881 -4.778 1.00 15.00 C ATOM 521 CG LEU A 463 -3.161 3.991 -5.594 1.00 15.00 C ATOM 522 CD1 LEU A 463 -2.160 4.917 -4.920 1.00 15.00 C ATOM 523 CD2 LEU A 463 -2.556 2.613 -5.811 1.00 15.00 C ATOM 0 H LEU A 463 -5.165 6.061 -3.108 1.00 15.00 H new ATOM 0 HA LEU A 463 -5.469 5.363 -5.960 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -4.189 3.780 -3.726 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -4.966 2.962 -5.067 1.00 15.00 H new ATOM 0 HG LEU A 463 -3.408 4.421 -6.564 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -1.254 4.974 -5.523 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -2.594 5.912 -4.822 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -1.914 4.529 -3.931 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.638 2.706 -6.392 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -2.331 2.159 -4.846 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -3.265 1.985 -6.351 1.00 15.00 H new ATOM 535 N LYS A 464 -7.615 5.526 -3.965 1.00 15.00 N ATOM 536 CA LYS A 464 -8.949 5.237 -3.441 1.00 15.00 C ATOM 537 C LYS A 464 -9.808 4.559 -4.507 1.00 15.00 C ATOM 538 O LYS A 464 -10.255 5.257 -5.444 1.00 15.00 O ATOM 539 CB LYS A 464 -9.599 6.543 -2.956 1.00 15.00 C ATOM 540 CG LYS A 464 -10.808 6.360 -2.040 1.00 15.00 C ATOM 541 CD LYS A 464 -12.046 5.842 -2.771 1.00 15.00 C ATOM 542 CE LYS A 464 -12.709 6.907 -3.646 1.00 15.00 C ATOM 543 NZ LYS A 464 -11.881 7.288 -4.824 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -10.042 3.336 -4.396 1.00 15.00 O ATOM 0 H LYS A 464 -7.348 6.508 -3.897 1.00 15.00 H new ATOM 0 HA LYS A 464 -8.866 4.551 -2.598 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -8.848 7.131 -2.429 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -9.906 7.124 -3.826 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -10.548 5.665 -1.242 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -11.045 7.313 -1.568 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -11.766 4.991 -3.392 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -12.768 5.478 -2.040 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -13.674 6.537 -3.991 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -12.905 7.794 -3.044 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -12.501 7.477 -5.637 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -11.332 8.143 -4.601 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -11.231 6.510 -5.058 1.00 15.00 H new