USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 270 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 449 ASN : amide:sc= 0.192 K(o=1.4,f=-11!) USER MOD Set 1.2: A 452 THR OG1 : rot 163:sc= 1.17 USER MOD Set 2.1: A 447 TYR OH : rot -109:sc= 1.41 USER MOD Set 2.2: A 459 LYS NZ :NH3+ 156:sc= -0.684 (180deg=-1.09) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 178:sc= 0.642 (180deg=0.64) USER MOD Single : A 445 THR OG1 : rot -176:sc= -0.377 USER MOD Single : A 446 TYR OH : rot 180:sc= -2.48! USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= -0.0322 K(o=-0.032,f=-0.66) USER MOD Single : A 455 SER OG : rot 38:sc= 0.0795 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 461 GLN : amide:sc= -1.66! K(o=-1.7!,f=-0.096) USER MOD Single : A 464 LYS NZ :NH3+ -178:sc= 1.07 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 432 5.173 7.112 -10.241 1.00 15.00 N ATOM 2 CA VAL A 432 3.874 7.824 -10.217 1.00 15.00 C ATOM 3 C VAL A 432 2.883 7.042 -9.372 1.00 15.00 C ATOM 4 O VAL A 432 2.494 5.934 -9.740 1.00 15.00 O ATOM 5 CB VAL A 432 3.296 7.999 -11.638 1.00 15.00 C ATOM 6 CG1 VAL A 432 2.015 8.818 -11.607 1.00 15.00 C ATOM 7 CG2 VAL A 432 4.319 8.644 -12.562 1.00 15.00 C ATOM 0 HA VAL A 432 4.042 8.813 -9.791 1.00 15.00 H new ATOM 0 HB VAL A 432 3.058 7.009 -12.027 1.00 15.00 H new ATOM 0 HG11 VAL A 432 1.628 8.927 -12.620 1.00 15.00 H new ATOM 0 HG12 VAL A 432 1.274 8.312 -10.988 1.00 15.00 H new ATOM 0 HG13 VAL A 432 2.223 9.803 -11.190 1.00 15.00 H new ATOM 0 HG21 VAL A 432 3.890 8.757 -13.557 1.00 15.00 H new ATOM 0 HG22 VAL A 432 4.595 9.624 -12.172 1.00 15.00 H new ATOM 0 HG23 VAL A 432 5.206 8.013 -12.619 1.00 15.00 H new ATOM 17 N SER A 433 2.474 7.638 -8.250 1.00 15.00 N ATOM 18 CA SER A 433 1.688 6.940 -7.238 1.00 15.00 C ATOM 19 C SER A 433 2.423 5.675 -6.799 1.00 15.00 C ATOM 20 O SER A 433 2.211 4.588 -7.339 1.00 15.00 O ATOM 21 CB SER A 433 0.277 6.625 -7.746 1.00 15.00 C ATOM 22 OG SER A 433 -0.401 7.815 -8.127 1.00 15.00 O ATOM 0 H SER A 433 2.678 8.611 -8.021 1.00 15.00 H new ATOM 0 HA SER A 433 1.572 7.592 -6.372 1.00 15.00 H new ATOM 0 HB2 SER A 433 0.335 5.946 -8.597 1.00 15.00 H new ATOM 0 HB3 SER A 433 -0.288 6.113 -6.968 1.00 15.00 H new ATOM 0 HG SER A 433 -1.299 7.591 -8.450 1.00 15.00 H new ATOM 28 N GLU A 434 3.311 5.840 -5.829 1.00 15.00 N ATOM 29 CA GLU A 434 4.267 4.799 -5.475 1.00 15.00 C ATOM 30 C GLU A 434 3.642 3.771 -4.530 1.00 15.00 C ATOM 31 O GLU A 434 4.343 2.994 -3.885 1.00 15.00 O ATOM 32 CB GLU A 434 5.499 5.436 -4.826 1.00 15.00 C ATOM 33 CG GLU A 434 6.710 5.496 -5.746 1.00 15.00 C ATOM 34 CD GLU A 434 6.612 6.616 -6.766 1.00 15.00 C ATOM 35 OE1 GLU A 434 5.942 6.437 -7.802 1.00 15.00 O ATOM 36 OE2 GLU A 434 7.207 7.689 -6.527 1.00 15.00 O1- ATOM 0 H GLU A 434 3.390 6.690 -5.270 1.00 15.00 H new ATOM 0 HA GLU A 434 4.563 4.277 -6.385 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.248 6.446 -4.503 1.00 15.00 H new ATOM 0 HB3 GLU A 434 5.761 4.871 -3.931 1.00 15.00 H new ATOM 0 HG2 GLU A 434 7.610 5.632 -5.147 1.00 15.00 H new ATOM 0 HG3 GLU A 434 6.814 4.544 -6.266 1.00 15.00 H new ATOM 43 N TRP A 435 2.317 3.757 -4.475 1.00 15.00 N ATOM 44 CA TRP A 435 1.597 2.828 -3.622 1.00 15.00 C ATOM 45 C TRP A 435 1.281 1.540 -4.370 1.00 15.00 C ATOM 46 O TRP A 435 0.576 1.553 -5.379 1.00 15.00 O ATOM 47 CB TRP A 435 0.295 3.454 -3.120 1.00 15.00 C ATOM 48 CG TRP A 435 0.500 4.588 -2.168 1.00 15.00 C ATOM 49 CD1 TRP A 435 0.444 5.923 -2.450 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.795 4.484 -0.771 1.00 15.00 C ATOM 51 NE1 TRP A 435 0.686 6.653 -1.313 1.00 15.00 N ATOM 52 CE2 TRP A 435 0.905 5.794 -0.269 1.00 15.00 C ATOM 53 CE3 TRP A 435 0.979 3.411 0.105 1.00 15.00 C ATOM 54 CZ2 TRP A 435 1.186 6.057 1.069 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.261 3.674 1.431 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.363 4.988 1.902 1.00 15.00 C ATOM 0 H TRP A 435 1.719 4.383 -5.015 1.00 15.00 H new ATOM 0 HA TRP A 435 2.236 2.597 -2.770 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -0.280 3.809 -3.975 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -0.303 2.685 -2.631 1.00 15.00 H new ATOM 0 HD1 TRP A 435 0.239 6.343 -3.424 1.00 15.00 H new ATOM 0 HE1 TRP A 435 0.700 7.671 -1.255 1.00 15.00 H new ATOM 0 HE3 TRP A 435 0.902 2.394 -0.249 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.261 7.070 1.436 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.405 2.852 2.116 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.586 5.161 2.945 1.00 15.00 H new ATOM 67 N THR A 436 1.816 0.436 -3.884 1.00 15.00 N ATOM 68 CA THR A 436 1.482 -0.870 -4.423 1.00 15.00 C ATOM 69 C THR A 436 0.964 -1.770 -3.309 1.00 15.00 C ATOM 70 O THR A 436 1.629 -1.957 -2.290 1.00 15.00 O ATOM 71 CB THR A 436 2.697 -1.528 -5.131 1.00 15.00 C ATOM 72 OG1 THR A 436 2.379 -2.870 -5.526 1.00 15.00 O ATOM 73 CG2 THR A 436 3.935 -1.538 -4.241 1.00 15.00 C ATOM 0 H THR A 436 2.486 0.417 -3.115 1.00 15.00 H new ATOM 0 HA THR A 436 0.702 -0.736 -5.173 1.00 15.00 H new ATOM 0 HB THR A 436 2.919 -0.929 -6.014 1.00 15.00 H new ATOM 0 HG1 THR A 436 3.153 -3.272 -5.972 1.00 15.00 H new ATOM 0 HG21 THR A 436 4.762 -2.007 -4.774 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.204 -0.514 -3.981 1.00 15.00 H new ATOM 0 HG23 THR A 436 3.724 -2.100 -3.331 1.00 15.00 H new ATOM 81 N GLU A 437 -0.236 -2.305 -3.481 1.00 15.00 N ATOM 82 CA GLU A 437 -0.804 -3.180 -2.474 1.00 15.00 C ATOM 83 C GLU A 437 -0.412 -4.620 -2.752 1.00 15.00 C ATOM 84 O GLU A 437 -0.572 -5.134 -3.864 1.00 15.00 O ATOM 85 CB GLU A 437 -2.326 -3.042 -2.394 1.00 15.00 C ATOM 86 CG GLU A 437 -3.070 -3.487 -3.638 1.00 15.00 C ATOM 87 CD GLU A 437 -4.574 -3.462 -3.449 1.00 15.00 C ATOM 88 OE1 GLU A 437 -5.121 -4.436 -2.887 1.00 15.00 O1- ATOM 89 OE2 GLU A 437 -5.216 -2.466 -3.845 1.00 15.00 O ATOM 0 H GLU A 437 -0.826 -2.150 -4.298 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.400 -2.881 -1.507 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -2.686 -3.623 -1.545 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -2.572 -1.999 -2.194 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -2.800 -2.839 -4.472 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -2.756 -4.496 -3.905 1.00 15.00 H new ATOM 96 N ARG A 438 0.117 -5.255 -1.734 1.00 15.00 N ATOM 97 CA ARG A 438 0.534 -6.637 -1.817 1.00 15.00 C ATOM 98 C ARG A 438 -0.394 -7.499 -0.977 1.00 15.00 C ATOM 99 O ARG A 438 -0.493 -7.327 0.241 1.00 15.00 O ATOM 100 CB ARG A 438 1.985 -6.773 -1.358 1.00 15.00 C ATOM 101 CG ARG A 438 2.498 -8.203 -1.322 1.00 15.00 C ATOM 102 CD ARG A 438 3.988 -8.226 -1.050 1.00 15.00 C ATOM 103 NE ARG A 438 4.481 -9.561 -0.725 1.00 15.00 N ATOM 104 CZ ARG A 438 5.760 -9.910 -0.795 1.00 15.00 C ATOM 105 NH1 ARG A 438 6.658 -9.049 -1.255 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 6.137 -11.121 -0.409 1.00 15.00 N ATOM 0 H ARG A 438 0.272 -4.828 -0.821 1.00 15.00 H new ATOM 0 HA ARG A 438 0.476 -6.977 -2.851 1.00 15.00 H new ATOM 0 HB2 ARG A 438 2.620 -6.188 -2.023 1.00 15.00 H new ATOM 0 HB3 ARG A 438 2.081 -6.340 -0.362 1.00 15.00 H new ATOM 0 HG2 ARG A 438 1.973 -8.765 -0.549 1.00 15.00 H new ATOM 0 HG3 ARG A 438 2.288 -8.695 -2.272 1.00 15.00 H new ATOM 0 HD2 ARG A 438 4.519 -7.850 -1.925 1.00 15.00 H new ATOM 0 HD3 ARG A 438 4.213 -7.549 -0.226 1.00 15.00 H new ATOM 0 HE ARG A 438 3.805 -10.265 -0.428 1.00 15.00 H new ATOM 0 HH11 ARG A 438 6.366 -8.119 -1.555 1.00 15.00 H new ATOM 0 HH12 ARG A 438 7.641 -9.317 -1.309 1.00 15.00 H new ATOM 0 HH21 ARG A 438 5.445 -11.783 -0.059 1.00 15.00 H new ATOM 0 HH22 ARG A 438 7.119 -11.390 -0.462 1.00 15.00 H new ATOM 120 N LYS A 439 -1.092 -8.404 -1.636 1.00 15.00 N ATOM 121 CA LYS A 439 -2.090 -9.222 -0.978 1.00 15.00 C ATOM 122 C LYS A 439 -1.475 -10.521 -0.487 1.00 15.00 C ATOM 123 O LYS A 439 -1.006 -11.337 -1.279 1.00 15.00 O ATOM 124 CB LYS A 439 -3.248 -9.505 -1.936 1.00 15.00 C ATOM 125 CG LYS A 439 -3.799 -8.245 -2.590 1.00 15.00 C ATOM 126 CD LYS A 439 -4.990 -8.542 -3.483 1.00 15.00 C ATOM 127 CE LYS A 439 -4.660 -9.570 -4.551 1.00 15.00 C ATOM 128 NZ LYS A 439 -5.794 -9.764 -5.490 1.00 15.00 N1+ ATOM 0 H LYS A 439 -0.984 -8.591 -2.633 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.474 -8.680 -0.114 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -2.911 -10.193 -2.711 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -4.049 -10.005 -1.392 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.093 -7.535 -1.817 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.014 -7.769 -3.178 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.818 -8.905 -2.874 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -5.325 -7.620 -3.959 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -3.778 -9.249 -5.106 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -4.411 -10.520 -4.078 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -5.535 -10.472 -6.206 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -6.628 -10.093 -4.964 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -6.015 -8.862 -5.959 1.00 15.00 H new ATOM 142 N THR A 440 -1.474 -10.693 0.822 1.00 15.00 N ATOM 143 CA THR A 440 -0.909 -11.876 1.440 1.00 15.00 C ATOM 144 C THR A 440 -2.017 -12.894 1.718 1.00 15.00 C ATOM 145 O THR A 440 -3.174 -12.519 1.934 1.00 15.00 O ATOM 146 CB THR A 440 -0.147 -11.519 2.739 1.00 15.00 C ATOM 147 OG1 THR A 440 0.571 -12.658 3.220 1.00 15.00 O ATOM 148 CG2 THR A 440 -1.091 -11.017 3.823 1.00 15.00 C ATOM 0 H THR A 440 -1.863 -10.020 1.483 1.00 15.00 H new ATOM 0 HA THR A 440 -0.189 -12.318 0.751 1.00 15.00 H new ATOM 0 HB THR A 440 0.553 -10.719 2.499 1.00 15.00 H new ATOM 0 HG1 THR A 440 1.050 -12.420 4.041 1.00 15.00 H new ATOM 0 HG21 THR A 440 -0.520 -10.776 4.720 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.607 -10.124 3.471 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.823 -11.791 4.055 1.00 15.00 H new ATOM 156 N ALA A 441 -1.668 -14.181 1.697 1.00 15.00 N ATOM 157 CA ALA A 441 -2.650 -15.258 1.841 1.00 15.00 C ATOM 158 C ALA A 441 -3.232 -15.322 3.253 1.00 15.00 C ATOM 159 O ALA A 441 -3.965 -16.253 3.592 1.00 15.00 O ATOM 160 CB ALA A 441 -2.028 -16.593 1.465 1.00 15.00 C ATOM 0 H ALA A 441 -0.708 -14.505 1.581 1.00 15.00 H new ATOM 0 HA ALA A 441 -3.473 -15.040 1.160 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -2.769 -17.384 1.577 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -1.688 -16.558 0.430 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -1.179 -16.796 2.118 1.00 15.00 H new ATOM 166 N ASP A 442 -2.893 -14.338 4.079 1.00 15.00 N ATOM 167 CA ASP A 442 -3.514 -14.181 5.391 1.00 15.00 C ATOM 168 C ASP A 442 -4.893 -13.537 5.221 1.00 15.00 C ATOM 169 O ASP A 442 -5.668 -13.413 6.170 1.00 15.00 O ATOM 170 CB ASP A 442 -2.621 -13.324 6.304 1.00 15.00 C ATOM 171 CG ASP A 442 -3.098 -13.279 7.748 1.00 15.00 C ATOM 172 OD1 ASP A 442 -3.188 -14.352 8.382 1.00 15.00 O1- ATOM 173 OD2 ASP A 442 -3.376 -12.172 8.260 1.00 15.00 O ATOM 0 H ASP A 442 -2.188 -13.633 3.862 1.00 15.00 H new ATOM 0 HA ASP A 442 -3.633 -15.159 5.858 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -1.604 -13.716 6.277 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -2.581 -12.308 5.911 1.00 15.00 H new ATOM 178 N GLY A 443 -5.184 -13.132 3.985 1.00 15.00 N ATOM 179 CA GLY A 443 -6.472 -12.547 3.664 1.00 15.00 C ATOM 180 C GLY A 443 -6.469 -11.044 3.815 1.00 15.00 C ATOM 181 O GLY A 443 -7.507 -10.440 4.084 1.00 15.00 O ATOM 0 H GLY A 443 -4.542 -13.201 3.195 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.743 -12.807 2.641 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -7.236 -12.974 4.314 1.00 15.00 H new ATOM 185 N LYS A 444 -5.306 -10.437 3.634 1.00 15.00 N ATOM 186 CA LYS A 444 -5.148 -9.006 3.852 1.00 15.00 C ATOM 187 C LYS A 444 -4.207 -8.408 2.819 1.00 15.00 C ATOM 188 O LYS A 444 -3.198 -9.017 2.453 1.00 15.00 O ATOM 189 CB LYS A 444 -4.597 -8.754 5.256 1.00 15.00 C ATOM 190 CG LYS A 444 -5.512 -9.240 6.365 1.00 15.00 C ATOM 191 CD LYS A 444 -4.785 -9.338 7.689 1.00 15.00 C ATOM 192 CE LYS A 444 -5.664 -9.981 8.745 1.00 15.00 C ATOM 193 NZ LYS A 444 -4.886 -10.375 9.944 1.00 15.00 N1+ ATOM 0 H LYS A 444 -4.455 -10.914 3.336 1.00 15.00 H new ATOM 0 HA LYS A 444 -6.124 -8.530 3.753 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -3.630 -9.248 5.352 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -4.423 -7.685 5.382 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -6.357 -8.559 6.464 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -5.918 -10.216 6.100 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -3.873 -9.922 7.565 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -4.484 -8.343 8.017 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -6.451 -9.285 9.035 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -6.154 -10.859 8.325 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -5.527 -10.780 10.656 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -4.173 -11.083 9.678 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -4.412 -9.539 10.340 1.00 15.00 H new ATOM 207 N THR A 445 -4.535 -7.216 2.362 1.00 15.00 N ATOM 208 CA THR A 445 -3.688 -6.499 1.430 1.00 15.00 C ATOM 209 C THR A 445 -3.084 -5.276 2.117 1.00 15.00 C ATOM 210 O THR A 445 -3.762 -4.584 2.882 1.00 15.00 O ATOM 211 CB THR A 445 -4.476 -6.079 0.164 1.00 15.00 C ATOM 212 OG1 THR A 445 -3.614 -5.422 -0.769 1.00 15.00 O ATOM 213 CG2 THR A 445 -5.641 -5.161 0.514 1.00 15.00 C ATOM 0 H THR A 445 -5.388 -6.721 2.623 1.00 15.00 H new ATOM 0 HA THR A 445 -2.885 -7.164 1.112 1.00 15.00 H new ATOM 0 HB THR A 445 -4.874 -6.987 -0.289 1.00 15.00 H new ATOM 0 HG1 THR A 445 -4.140 -5.103 -1.532 1.00 15.00 H new ATOM 0 HG21 THR A 445 -6.173 -4.885 -0.396 1.00 15.00 H new ATOM 0 HG22 THR A 445 -6.322 -5.679 1.189 1.00 15.00 H new ATOM 0 HG23 THR A 445 -5.262 -4.262 1.000 1.00 15.00 H new ATOM 221 N TYR A 446 -1.804 -5.030 1.881 1.00 15.00 N ATOM 222 CA TYR A 446 -1.137 -3.896 2.498 1.00 15.00 C ATOM 223 C TYR A 446 -0.448 -3.047 1.438 1.00 15.00 C ATOM 224 O TYR A 446 0.161 -3.571 0.503 1.00 15.00 O ATOM 225 CB TYR A 446 -0.140 -4.367 3.570 1.00 15.00 C ATOM 226 CG TYR A 446 1.117 -5.024 3.044 1.00 15.00 C ATOM 227 CD1 TYR A 446 1.161 -6.391 2.806 1.00 15.00 C ATOM 228 CD2 TYR A 446 2.264 -4.278 2.798 1.00 15.00 C ATOM 229 CE1 TYR A 446 2.308 -6.996 2.337 1.00 15.00 C ATOM 230 CE2 TYR A 446 3.415 -4.875 2.325 1.00 15.00 C ATOM 231 CZ TYR A 446 3.431 -6.234 2.098 1.00 15.00 C ATOM 232 OH TYR A 446 4.574 -6.836 1.628 1.00 15.00 O ATOM 0 H TYR A 446 -1.212 -5.595 1.272 1.00 15.00 H new ATOM 0 HA TYR A 446 -1.886 -3.278 2.993 1.00 15.00 H new ATOM 0 HB2 TYR A 446 0.146 -3.509 4.178 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -0.648 -5.070 4.230 1.00 15.00 H new ATOM 0 HD1 TYR A 446 0.282 -6.991 2.991 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.254 -3.213 2.980 1.00 15.00 H new ATOM 0 HE1 TYR A 446 2.326 -8.061 2.158 1.00 15.00 H new ATOM 0 HE2 TYR A 446 4.297 -4.281 2.134 1.00 15.00 H new ATOM 0 HH TYR A 446 5.275 -6.161 1.510 1.00 15.00 H new ATOM 242 N TYR A 447 -0.539 -1.738 1.595 1.00 15.00 N ATOM 243 CA TYR A 447 0.024 -0.810 0.630 1.00 15.00 C ATOM 244 C TYR A 447 1.448 -0.433 1.005 1.00 15.00 C ATOM 245 O TYR A 447 1.698 0.123 2.077 1.00 15.00 O ATOM 246 CB TYR A 447 -0.850 0.442 0.522 1.00 15.00 C ATOM 247 CG TYR A 447 -2.176 0.185 -0.151 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.265 -0.290 0.568 1.00 15.00 C ATOM 249 CD2 TYR A 447 -2.333 0.408 -1.512 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.476 -0.533 -0.052 1.00 15.00 C ATOM 251 CE2 TYR A 447 -3.539 0.166 -2.139 1.00 15.00 C ATOM 252 CZ TYR A 447 -4.605 -0.306 -1.404 1.00 15.00 C ATOM 253 OH TYR A 447 -5.803 -0.557 -2.028 1.00 15.00 O ATOM 0 H TYR A 447 -1.001 -1.291 2.387 1.00 15.00 H new ATOM 0 HA TYR A 447 0.049 -1.304 -0.342 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.028 0.840 1.521 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.310 1.208 -0.035 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.164 -0.472 1.628 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -1.498 0.777 -2.090 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.316 -0.899 0.520 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -3.646 0.345 -3.199 1.00 15.00 H new ATOM 0 HH TYR A 447 -5.716 -1.351 -2.596 1.00 15.00 H new ATOM 263 N TYR A 448 2.375 -0.753 0.119 1.00 15.00 N ATOM 264 CA TYR A 448 3.773 -0.423 0.317 1.00 15.00 C ATOM 265 C TYR A 448 4.178 0.710 -0.619 1.00 15.00 C ATOM 266 O TYR A 448 4.078 0.585 -1.839 1.00 15.00 O ATOM 267 CB TYR A 448 4.645 -1.658 0.065 1.00 15.00 C ATOM 268 CG TYR A 448 6.116 -1.438 0.335 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.590 -1.278 1.632 1.00 15.00 C ATOM 270 CD2 TYR A 448 7.035 -1.407 -0.708 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.934 -1.087 1.881 1.00 15.00 C ATOM 272 CE2 TYR A 448 8.380 -1.216 -0.466 1.00 15.00 C ATOM 273 CZ TYR A 448 8.825 -1.060 0.830 1.00 15.00 C ATOM 274 OH TYR A 448 10.166 -0.873 1.075 1.00 15.00 O ATOM 0 H TYR A 448 2.180 -1.246 -0.752 1.00 15.00 H new ATOM 0 HA TYR A 448 3.919 -0.097 1.347 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.289 -2.475 0.692 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.519 -1.973 -0.971 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.895 -1.304 2.458 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.691 -1.534 -1.724 1.00 15.00 H new ATOM 0 HE1 TYR A 448 8.286 -0.959 2.894 1.00 15.00 H new ATOM 0 HE2 TYR A 448 9.081 -1.189 -1.287 1.00 15.00 H new ATOM 0 HH TYR A 448 10.658 -0.881 0.227 1.00 15.00 H new ATOM 284 N ASN A 449 4.601 1.817 -0.037 1.00 15.00 N ATOM 285 CA ASN A 449 5.064 2.965 -0.800 1.00 15.00 C ATOM 286 C ASN A 449 6.582 3.041 -0.739 1.00 15.00 C ATOM 287 O ASN A 449 7.150 3.201 0.339 1.00 15.00 O ATOM 288 CB ASN A 449 4.469 4.254 -0.238 1.00 15.00 C ATOM 289 CG ASN A 449 4.776 5.461 -1.101 1.00 15.00 C ATOM 290 OD1 ASN A 449 5.832 6.072 -0.976 1.00 15.00 O ATOM 291 ND2 ASN A 449 3.847 5.824 -1.971 1.00 15.00 N ATOM 0 H ASN A 449 4.634 1.947 0.974 1.00 15.00 H new ATOM 0 HA ASN A 449 4.742 2.849 -1.835 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.389 4.142 -0.147 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.858 4.422 0.767 1.00 15.00 H new ATOM 0 HD21 ASN A 449 3.997 6.638 -2.567 1.00 15.00 H new ATOM 0 HD22 ASN A 449 2.981 5.290 -2.045 1.00 15.00 H new ATOM 298 N ASN A 450 7.237 2.924 -1.887 1.00 15.00 N ATOM 299 CA ASN A 450 8.699 2.929 -1.937 1.00 15.00 C ATOM 300 C ASN A 450 9.259 4.350 -2.010 1.00 15.00 C ATOM 301 O ASN A 450 10.472 4.547 -1.976 1.00 15.00 O ATOM 302 CB ASN A 450 9.209 2.102 -3.127 1.00 15.00 C ATOM 303 CG ASN A 450 8.790 2.677 -4.466 1.00 15.00 C ATOM 304 OD1 ASN A 450 7.705 2.386 -4.964 1.00 15.00 O ATOM 305 ND2 ASN A 450 9.653 3.478 -5.072 1.00 15.00 N ATOM 0 H ASN A 450 6.783 2.825 -2.795 1.00 15.00 H new ATOM 0 HA ASN A 450 9.053 2.474 -1.012 1.00 15.00 H new ATOM 0 HB2 ASN A 450 10.297 2.047 -3.085 1.00 15.00 H new ATOM 0 HB3 ASN A 450 8.834 1.082 -3.042 1.00 15.00 H new ATOM 0 HD21 ASN A 450 9.426 3.876 -5.983 1.00 15.00 H new ATOM 0 HD22 ASN A 450 10.544 3.697 -4.627 1.00 15.00 H new ATOM 312 N ARG A 451 8.379 5.339 -2.106 1.00 15.00 N ATOM 313 CA ARG A 451 8.806 6.733 -2.152 1.00 15.00 C ATOM 314 C ARG A 451 9.055 7.267 -0.745 1.00 15.00 C ATOM 315 O ARG A 451 10.037 7.969 -0.496 1.00 15.00 O ATOM 316 CB ARG A 451 7.760 7.599 -2.863 1.00 15.00 C ATOM 317 CG ARG A 451 8.053 9.090 -2.795 1.00 15.00 C ATOM 318 CD ARG A 451 6.913 9.915 -3.367 1.00 15.00 C ATOM 319 NE ARG A 451 6.714 9.671 -4.794 1.00 15.00 N ATOM 320 CZ ARG A 451 6.173 10.549 -5.637 1.00 15.00 C ATOM 321 NH1 ARG A 451 5.750 11.730 -5.200 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 6.053 10.233 -6.919 1.00 15.00 N ATOM 0 H ARG A 451 7.369 5.203 -2.153 1.00 15.00 H new ATOM 0 HA ARG A 451 9.738 6.780 -2.715 1.00 15.00 H new ATOM 0 HB2 ARG A 451 7.701 7.297 -3.909 1.00 15.00 H new ATOM 0 HB3 ARG A 451 6.782 7.409 -2.420 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.227 9.379 -1.759 1.00 15.00 H new ATOM 0 HG3 ARG A 451 8.969 9.306 -3.344 1.00 15.00 H new ATOM 0 HD2 ARG A 451 5.994 9.683 -2.829 1.00 15.00 H new ATOM 0 HD3 ARG A 451 7.117 10.974 -3.207 1.00 15.00 H new ATOM 0 HE ARG A 451 7.009 8.769 -5.169 1.00 15.00 H new ATOM 0 HH11 ARG A 451 5.838 11.970 -4.213 1.00 15.00 H new ATOM 0 HH12 ARG A 451 5.337 12.397 -5.852 1.00 15.00 H new ATOM 0 HH21 ARG A 451 6.374 9.324 -7.252 1.00 15.00 H new ATOM 0 HH22 ARG A 451 5.640 10.899 -7.572 1.00 15.00 H new ATOM 336 N THR A 452 8.141 6.961 0.161 1.00 15.00 N ATOM 337 CA THR A 452 8.252 7.407 1.540 1.00 15.00 C ATOM 338 C THR A 452 8.544 6.242 2.478 1.00 15.00 C ATOM 339 O THR A 452 8.688 6.429 3.686 1.00 15.00 O ATOM 340 CB THR A 452 6.962 8.119 1.986 1.00 15.00 C ATOM 341 OG1 THR A 452 5.825 7.286 1.722 1.00 15.00 O ATOM 342 CG2 THR A 452 6.799 9.444 1.261 1.00 15.00 C ATOM 0 H THR A 452 7.310 6.403 -0.035 1.00 15.00 H new ATOM 0 HA THR A 452 9.085 8.109 1.590 1.00 15.00 H new ATOM 0 HB THR A 452 7.032 8.312 3.057 1.00 15.00 H new ATOM 0 HG1 THR A 452 5.058 7.604 2.243 1.00 15.00 H new ATOM 0 HG21 THR A 452 5.881 9.929 1.592 1.00 15.00 H new ATOM 0 HG22 THR A 452 7.650 10.088 1.483 1.00 15.00 H new ATOM 0 HG23 THR A 452 6.749 9.267 0.187 1.00 15.00 H new ATOM 350 N LEU A 453 8.618 5.036 1.905 1.00 15.00 N ATOM 351 CA LEU A 453 8.915 3.817 2.667 1.00 15.00 C ATOM 352 C LEU A 453 7.776 3.497 3.630 1.00 15.00 C ATOM 353 O LEU A 453 7.961 2.793 4.628 1.00 15.00 O ATOM 354 CB LEU A 453 10.248 3.942 3.427 1.00 15.00 C ATOM 355 CG LEU A 453 11.519 3.720 2.593 1.00 15.00 C ATOM 356 CD1 LEU A 453 11.483 2.362 1.912 1.00 15.00 C ATOM 357 CD2 LEU A 453 11.710 4.826 1.566 1.00 15.00 C ATOM 0 H LEU A 453 8.475 4.877 0.908 1.00 15.00 H new ATOM 0 HA LEU A 453 9.012 2.995 1.958 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.298 4.935 3.873 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.245 3.224 4.247 1.00 15.00 H new ATOM 0 HG LEU A 453 12.370 3.746 3.274 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.392 2.224 1.326 1.00 15.00 H new ATOM 0 HD12 LEU A 453 11.415 1.578 2.667 1.00 15.00 H new ATOM 0 HD13 LEU A 453 10.616 2.308 1.254 1.00 15.00 H new ATOM 0 HD21 LEU A 453 12.618 4.638 0.993 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.854 4.848 0.892 1.00 15.00 H new ATOM 0 HD23 LEU A 453 11.795 5.786 2.076 1.00 15.00 H new ATOM 369 N GLU A 454 6.584 3.966 3.288 1.00 15.00 N ATOM 370 CA GLU A 454 5.417 3.781 4.139 1.00 15.00 C ATOM 371 C GLU A 454 4.689 2.489 3.796 1.00 15.00 C ATOM 372 O GLU A 454 4.207 2.315 2.681 1.00 15.00 O ATOM 373 CB GLU A 454 4.445 4.956 4.005 1.00 15.00 C ATOM 374 CG GLU A 454 4.957 6.258 4.594 1.00 15.00 C ATOM 375 CD GLU A 454 3.948 7.383 4.476 1.00 15.00 C ATOM 376 OE1 GLU A 454 3.021 7.446 5.311 1.00 15.00 O ATOM 377 OE2 GLU A 454 4.086 8.221 3.557 1.00 15.00 O1- ATOM 0 H GLU A 454 6.400 4.478 2.425 1.00 15.00 H new ATOM 0 HA GLU A 454 5.774 3.728 5.167 1.00 15.00 H new ATOM 0 HB2 GLU A 454 4.223 5.111 2.949 1.00 15.00 H new ATOM 0 HB3 GLU A 454 3.506 4.694 4.493 1.00 15.00 H new ATOM 0 HG2 GLU A 454 5.205 6.105 5.644 1.00 15.00 H new ATOM 0 HG3 GLU A 454 5.878 6.545 4.087 1.00 15.00 H new ATOM 384 N SER A 455 4.623 1.587 4.752 1.00 15.00 N ATOM 385 CA SER A 455 3.842 0.377 4.598 1.00 15.00 C ATOM 386 C SER A 455 2.645 0.432 5.539 1.00 15.00 C ATOM 387 O SER A 455 2.800 0.453 6.761 1.00 15.00 O ATOM 388 CB SER A 455 4.710 -0.855 4.866 1.00 15.00 C ATOM 389 OG SER A 455 5.474 -0.709 6.054 1.00 15.00 O ATOM 0 H SER A 455 5.103 1.669 5.648 1.00 15.00 H new ATOM 0 HA SER A 455 3.477 0.301 3.574 1.00 15.00 H new ATOM 0 HB2 SER A 455 4.075 -1.737 4.947 1.00 15.00 H new ATOM 0 HB3 SER A 455 5.378 -1.020 4.021 1.00 15.00 H new ATOM 0 HG SER A 455 4.937 -0.253 6.735 1.00 15.00 H new ATOM 395 N THR A 456 1.453 0.494 4.972 1.00 15.00 N ATOM 396 CA THR A 456 0.258 0.676 5.771 1.00 15.00 C ATOM 397 C THR A 456 -0.865 -0.231 5.287 1.00 15.00 C ATOM 398 O THR A 456 -0.939 -0.578 4.108 1.00 15.00 O ATOM 399 CB THR A 456 -0.210 2.150 5.745 1.00 15.00 C ATOM 400 OG1 THR A 456 -1.350 2.323 6.594 1.00 15.00 O ATOM 401 CG2 THR A 456 -0.557 2.596 4.332 1.00 15.00 C ATOM 0 H THR A 456 1.289 0.421 3.968 1.00 15.00 H new ATOM 0 HA THR A 456 0.508 0.408 6.798 1.00 15.00 H new ATOM 0 HB THR A 456 0.613 2.765 6.109 1.00 15.00 H new ATOM 0 HG1 THR A 456 -1.636 3.260 6.571 1.00 15.00 H new ATOM 0 HG21 THR A 456 -0.882 3.636 4.348 1.00 15.00 H new ATOM 0 HG22 THR A 456 0.322 2.501 3.694 1.00 15.00 H new ATOM 0 HG23 THR A 456 -1.359 1.971 3.940 1.00 15.00 H new ATOM 409 N TRP A 457 -1.730 -0.625 6.208 1.00 15.00 N ATOM 410 CA TRP A 457 -2.872 -1.456 5.879 1.00 15.00 C ATOM 411 C TRP A 457 -4.044 -0.573 5.456 1.00 15.00 C ATOM 412 O TRP A 457 -5.119 -1.064 5.112 1.00 15.00 O ATOM 413 CB TRP A 457 -3.257 -2.312 7.088 1.00 15.00 C ATOM 414 CG TRP A 457 -2.156 -3.224 7.536 1.00 15.00 C ATOM 415 CD1 TRP A 457 -1.272 -3.003 8.552 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.813 -4.494 6.975 1.00 15.00 C ATOM 417 NE1 TRP A 457 -0.404 -4.060 8.659 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.714 -4.988 7.702 1.00 15.00 C ATOM 419 CE3 TRP A 457 -2.328 -5.262 5.930 1.00 15.00 C ATOM 420 CZ2 TRP A 457 -0.124 -6.216 7.418 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.740 -6.478 5.646 1.00 15.00 C ATOM 422 CH2 TRP A 457 -0.648 -6.947 6.386 1.00 15.00 C ATOM 0 H TRP A 457 -1.660 -0.379 7.195 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.613 -2.118 5.052 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -3.538 -1.658 7.914 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -4.136 -2.907 6.839 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -1.258 -2.124 9.180 1.00 15.00 H new ATOM 0 HE1 TRP A 457 0.350 -4.141 9.341 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -3.171 -4.911 5.354 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 0.717 -6.579 7.991 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -2.130 -7.079 4.838 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -0.211 -7.903 6.138 1.00 15.00 H new ATOM 433 N GLU A 458 -3.817 0.736 5.499 1.00 15.00 N ATOM 434 CA GLU A 458 -4.812 1.724 5.103 1.00 15.00 C ATOM 435 C GLU A 458 -4.787 1.932 3.595 1.00 15.00 C ATOM 436 O GLU A 458 -3.719 2.081 3.001 1.00 15.00 O ATOM 437 CB GLU A 458 -4.523 3.059 5.794 1.00 15.00 C ATOM 438 CG GLU A 458 -4.549 2.993 7.312 1.00 15.00 C ATOM 439 CD GLU A 458 -3.974 4.242 7.949 1.00 15.00 C ATOM 440 OE1 GLU A 458 -4.520 5.344 7.721 1.00 15.00 O1- ATOM 441 OE2 GLU A 458 -2.961 4.133 8.673 1.00 15.00 O ATOM 0 H GLU A 458 -2.935 1.142 5.811 1.00 15.00 H new ATOM 0 HA GLU A 458 -5.795 1.358 5.399 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -3.544 3.417 5.474 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -5.256 3.794 5.461 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -5.576 2.854 7.650 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -3.983 2.123 7.646 1.00 15.00 H new ATOM 448 N LYS A 459 -5.960 1.961 2.980 1.00 15.00 N ATOM 449 CA LYS A 459 -6.059 2.252 1.559 1.00 15.00 C ATOM 450 C LYS A 459 -5.917 3.756 1.328 1.00 15.00 C ATOM 451 O LYS A 459 -6.750 4.541 1.779 1.00 15.00 O ATOM 452 CB LYS A 459 -7.389 1.738 1.000 1.00 15.00 C ATOM 453 CG LYS A 459 -7.577 2.008 -0.483 1.00 15.00 C ATOM 454 CD LYS A 459 -8.892 1.440 -0.996 1.00 15.00 C ATOM 455 CE LYS A 459 -8.753 0.013 -1.520 1.00 15.00 C ATOM 456 NZ LYS A 459 -8.185 -0.919 -0.513 1.00 15.00 N1+ ATOM 0 H LYS A 459 -6.853 1.787 3.441 1.00 15.00 H new ATOM 0 HA LYS A 459 -5.253 1.741 1.033 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -7.455 0.664 1.175 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -8.207 2.202 1.551 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -7.550 3.083 -0.664 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -6.749 1.570 -1.041 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -9.629 1.458 -0.193 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -9.273 2.079 -1.792 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -9.732 -0.351 -1.833 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -8.116 0.016 -2.405 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -8.476 -1.892 -0.738 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -7.147 -0.856 -0.528 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -8.534 -0.663 0.433 1.00 15.00 H new ATOM 470 N PRO A 460 -4.843 4.174 0.639 1.00 15.00 N ATOM 471 CA PRO A 460 -4.542 5.592 0.398 1.00 15.00 C ATOM 472 C PRO A 460 -5.596 6.278 -0.467 1.00 15.00 C ATOM 473 O PRO A 460 -6.217 5.647 -1.323 1.00 15.00 O ATOM 474 CB PRO A 460 -3.196 5.551 -0.339 1.00 15.00 C ATOM 475 CG PRO A 460 -3.123 4.191 -0.932 1.00 15.00 C ATOM 476 CD PRO A 460 -3.834 3.291 0.031 1.00 15.00 C ATOM 0 HA PRO A 460 -4.522 6.162 1.327 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.144 6.321 -1.109 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.366 5.728 0.345 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -3.596 4.166 -1.914 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.088 3.878 -1.069 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -4.295 2.443 -0.476 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.153 2.884 0.778 1.00 15.00 H new ATOM 484 N GLN A 461 -5.744 7.585 -0.269 1.00 15.00 N ATOM 485 CA GLN A 461 -6.721 8.393 -0.999 1.00 15.00 C ATOM 486 C GLN A 461 -6.441 8.358 -2.504 1.00 15.00 C ATOM 487 O GLN A 461 -7.314 8.642 -3.320 1.00 15.00 O ATOM 488 CB GLN A 461 -6.669 9.844 -0.503 1.00 15.00 C ATOM 489 CG GLN A 461 -7.884 10.677 -0.873 1.00 15.00 C ATOM 490 CD GLN A 461 -9.080 10.393 0.017 1.00 15.00 C ATOM 491 OE1 GLN A 461 -10.226 10.473 -0.419 1.00 15.00 O ATOM 492 NE2 GLN A 461 -8.821 10.088 1.281 1.00 15.00 N ATOM 0 H GLN A 461 -5.190 8.116 0.403 1.00 15.00 H new ATOM 0 HA GLN A 461 -7.713 7.978 -0.819 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.562 9.841 0.582 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.778 10.322 -0.909 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.629 11.735 -0.806 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -8.153 10.479 -1.911 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -7.855 10.031 1.604 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -9.587 9.910 1.930 1.00 15.00 H new ATOM 501 N GLU A 462 -5.207 8.024 -2.856 1.00 15.00 N ATOM 502 CA GLU A 462 -4.774 7.995 -4.250 1.00 15.00 C ATOM 503 C GLU A 462 -5.211 6.699 -4.945 1.00 15.00 C ATOM 504 O GLU A 462 -5.197 6.599 -6.174 1.00 15.00 O ATOM 505 CB GLU A 462 -3.249 8.145 -4.307 1.00 15.00 C ATOM 506 CG GLU A 462 -2.677 8.303 -5.706 1.00 15.00 C ATOM 507 CD GLU A 462 -3.171 9.550 -6.410 1.00 15.00 C ATOM 508 OE1 GLU A 462 -2.689 10.653 -6.080 1.00 15.00 O1- ATOM 509 OE2 GLU A 462 -4.041 9.434 -7.295 1.00 15.00 O ATOM 0 H GLU A 462 -4.480 7.766 -2.189 1.00 15.00 H new ATOM 0 HA GLU A 462 -5.245 8.823 -4.779 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -2.961 9.011 -3.712 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -2.794 7.271 -3.840 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -1.589 8.333 -5.646 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -2.940 7.428 -6.301 1.00 15.00 H new ATOM 516 N LEU A 463 -5.589 5.704 -4.156 1.00 15.00 N ATOM 517 CA LEU A 463 -5.965 4.399 -4.698 1.00 15.00 C ATOM 518 C LEU A 463 -7.281 3.921 -4.101 1.00 15.00 C ATOM 519 O LEU A 463 -7.611 2.741 -4.184 1.00 15.00 O ATOM 520 CB LEU A 463 -4.878 3.353 -4.414 1.00 15.00 C ATOM 521 CG LEU A 463 -3.633 3.410 -5.310 1.00 15.00 C ATOM 522 CD1 LEU A 463 -2.701 4.536 -4.892 1.00 15.00 C ATOM 523 CD2 LEU A 463 -2.902 2.076 -5.286 1.00 15.00 C ATOM 0 H LEU A 463 -5.645 5.771 -3.140 1.00 15.00 H new ATOM 0 HA LEU A 463 -6.079 4.516 -5.776 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -4.559 3.462 -3.377 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -5.323 2.362 -4.508 1.00 15.00 H new ATOM 0 HG LEU A 463 -3.962 3.612 -6.329 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -1.829 4.549 -5.546 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -3.225 5.489 -4.967 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -2.379 4.379 -3.862 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -2.021 2.132 -5.926 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -2.595 1.848 -4.265 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -3.565 1.291 -5.649 1.00 15.00 H new ATOM 535 N LYS A 464 -8.039 4.840 -3.522 1.00 15.00 N ATOM 536 CA LYS A 464 -9.282 4.484 -2.855 1.00 15.00 C ATOM 537 C LYS A 464 -10.461 4.583 -3.819 1.00 15.00 C ATOM 538 O LYS A 464 -11.148 5.626 -3.802 1.00 15.00 O ATOM 539 CB LYS A 464 -9.524 5.407 -1.661 1.00 15.00 C ATOM 540 CG LYS A 464 -10.557 4.873 -0.683 1.00 15.00 C ATOM 541 CD LYS A 464 -11.168 5.990 0.145 1.00 15.00 C ATOM 542 CE LYS A 464 -12.533 6.397 -0.392 1.00 15.00 C ATOM 543 NZ LYS A 464 -12.493 6.819 -1.822 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -10.698 3.626 -4.586 1.00 15.00 O ATOM 0 H LYS A 464 -7.816 5.835 -3.500 1.00 15.00 H new ATOM 0 HA LYS A 464 -9.196 3.455 -2.507 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -8.582 5.562 -1.134 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -9.849 6.382 -2.025 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -11.343 4.352 -1.230 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -10.091 4.142 -0.022 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -11.265 5.666 1.181 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -10.502 6.853 0.142 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -13.224 5.561 -0.285 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -12.926 7.215 0.212 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -13.443 7.117 -2.123 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -11.830 7.613 -1.931 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -12.178 6.022 -2.411 1.00 15.00 H new TER 558 LYS A 464