USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 290 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 -130:sc= 0.401 USER MOD Set 1.2: A 459 LYS NZ :NH3+ -154:sc= -1.01 (180deg=-1.92!) USER MOD Set 2.1: A 449 ASN : amide:sc= -0.766 K(o=-0.77,f=-5.9!) USER MOD Set 2.2: A 452 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 439 LYS NZ :NH3+ -155:sc= -0.374 (180deg=-3.24!) USER MOD Set 3.2: A 445 THR OG1 : rot 130:sc= 0.777 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 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 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot -76:sc= 1.61 USER MOD Single : A 444 LYS NZ :NH3+ 167:sc= -0.0306 (180deg=-0.23) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= -0.0524 X(o=-0.052,f=-0.51) USER MOD Single : A 455 SER OG : rot 29:sc= -0.0075 USER MOD Single : A 456 TYR OH : rot 40:sc= 0.982 USER MOD Single : A 461 GLN : amide:sc= 0.464 K(o=0.46,f=-0.29) USER MOD Single : A 464 LYS NZ :NH3+ -160:sc= -0.104 (180deg=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -3.228 13.108 -0.716 1.00 15.00 N ATOM 2 CA GLY A 428 -3.282 13.420 -2.163 1.00 15.00 C ATOM 3 C GLY A 428 -2.076 14.227 -2.586 1.00 15.00 C ATOM 4 O GLY A 428 -1.625 15.085 -1.830 1.00 15.00 O ATOM 0 HA2 GLY A 428 -3.325 12.495 -2.737 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -4.193 13.976 -2.386 1.00 15.00 H new ATOM 10 N ALA A 429 -1.546 13.952 -3.783 1.00 15.00 N ATOM 11 CA ALA A 429 -0.314 14.585 -4.253 1.00 15.00 C ATOM 12 C ALA A 429 0.824 14.340 -3.263 1.00 15.00 C ATOM 13 O ALA A 429 1.770 15.121 -3.173 1.00 15.00 O ATOM 14 CB ALA A 429 -0.526 16.080 -4.476 1.00 15.00 C ATOM 0 H ALA A 429 -1.955 13.292 -4.445 1.00 15.00 H new ATOM 0 HA ALA A 429 -0.040 14.137 -5.208 1.00 15.00 H new ATOM 0 HB1 ALA A 429 0.403 16.531 -4.825 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -1.305 16.229 -5.223 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -0.827 16.549 -3.539 1.00 15.00 H new ATOM 20 N THR A 430 0.727 13.229 -2.538 1.00 15.00 N ATOM 21 CA THR A 430 1.676 12.900 -1.491 1.00 15.00 C ATOM 22 C THR A 430 3.054 12.582 -2.075 1.00 15.00 C ATOM 23 O THR A 430 4.070 13.051 -1.560 1.00 15.00 O ATOM 24 CB THR A 430 1.171 11.696 -0.670 1.00 15.00 C ATOM 25 OG1 THR A 430 -0.216 11.878 -0.336 1.00 15.00 O ATOM 26 CG2 THR A 430 1.983 11.524 0.607 1.00 15.00 C ATOM 0 H THR A 430 -0.011 12.536 -2.663 1.00 15.00 H new ATOM 0 HA THR A 430 1.768 13.769 -0.840 1.00 15.00 H new ATOM 0 HB THR A 430 1.288 10.799 -1.278 1.00 15.00 H new ATOM 0 HG1 THR A 430 -0.531 11.109 0.184 1.00 15.00 H new ATOM 0 HG21 THR A 430 1.605 10.668 1.166 1.00 15.00 H new ATOM 0 HG22 THR A 430 3.030 11.358 0.353 1.00 15.00 H new ATOM 0 HG23 THR A 430 1.896 12.423 1.217 1.00 15.00 H new ATOM 34 N ALA A 431 3.067 11.794 -3.156 1.00 15.00 N ATOM 35 CA ALA A 431 4.306 11.379 -3.814 1.00 15.00 C ATOM 36 C ALA A 431 5.297 10.788 -2.814 1.00 15.00 C ATOM 37 O ALA A 431 6.242 11.452 -2.384 1.00 15.00 O ATOM 38 CB ALA A 431 4.933 12.543 -4.571 1.00 15.00 C ATOM 0 H ALA A 431 2.222 11.429 -3.596 1.00 15.00 H new ATOM 0 HA ALA A 431 4.054 10.599 -4.532 1.00 15.00 H new ATOM 0 HB1 ALA A 431 5.853 12.211 -5.052 1.00 15.00 H new ATOM 0 HB2 ALA A 431 4.236 12.902 -5.329 1.00 15.00 H new ATOM 0 HB3 ALA A 431 5.159 13.350 -3.875 1.00 15.00 H new ATOM 44 N VAL A 432 5.072 9.539 -2.435 1.00 15.00 N ATOM 45 CA VAL A 432 5.916 8.885 -1.449 1.00 15.00 C ATOM 46 C VAL A 432 6.281 7.471 -1.902 1.00 15.00 C ATOM 47 O VAL A 432 5.431 6.722 -2.384 1.00 15.00 O ATOM 48 CB VAL A 432 5.226 8.851 -0.060 1.00 15.00 C ATOM 49 CG1 VAL A 432 3.931 8.054 -0.104 1.00 15.00 C ATOM 50 CG2 VAL A 432 6.162 8.298 1.006 1.00 15.00 C ATOM 0 H VAL A 432 4.313 8.960 -2.795 1.00 15.00 H new ATOM 0 HA VAL A 432 6.834 9.465 -1.356 1.00 15.00 H new ATOM 0 HB VAL A 432 4.979 9.879 0.206 1.00 15.00 H new ATOM 0 HG11 VAL A 432 3.473 8.050 0.885 1.00 15.00 H new ATOM 0 HG12 VAL A 432 3.247 8.511 -0.819 1.00 15.00 H new ATOM 0 HG13 VAL A 432 4.144 7.030 -0.409 1.00 15.00 H new ATOM 0 HG21 VAL A 432 5.651 8.286 1.969 1.00 15.00 H new ATOM 0 HG22 VAL A 432 6.457 7.283 0.740 1.00 15.00 H new ATOM 0 HG23 VAL A 432 7.049 8.928 1.074 1.00 15.00 H new ATOM 60 N SER A 433 7.552 7.119 -1.755 1.00 15.00 N ATOM 61 CA SER A 433 8.050 5.815 -2.181 1.00 15.00 C ATOM 62 C SER A 433 7.812 4.755 -1.105 1.00 15.00 C ATOM 63 O SER A 433 8.131 3.581 -1.291 1.00 15.00 O ATOM 64 CB SER A 433 9.546 5.915 -2.486 1.00 15.00 C ATOM 65 OG SER A 433 9.821 7.038 -3.308 1.00 15.00 O ATOM 0 H SER A 433 8.262 7.723 -1.341 1.00 15.00 H new ATOM 0 HA SER A 433 7.508 5.516 -3.078 1.00 15.00 H new ATOM 0 HB2 SER A 433 10.107 5.995 -1.555 1.00 15.00 H new ATOM 0 HB3 SER A 433 9.882 5.005 -2.983 1.00 15.00 H new ATOM 0 HG SER A 433 10.783 7.083 -3.489 1.00 15.00 H new ATOM 71 N GLU A 434 7.232 5.177 0.010 1.00 15.00 N ATOM 72 CA GLU A 434 7.035 4.298 1.156 1.00 15.00 C ATOM 73 C GLU A 434 5.749 3.484 1.010 1.00 15.00 C ATOM 74 O GLU A 434 5.464 2.592 1.812 1.00 15.00 O ATOM 75 CB GLU A 434 6.998 5.130 2.442 1.00 15.00 C ATOM 76 CG GLU A 434 7.202 4.319 3.705 1.00 15.00 C ATOM 77 CD GLU A 434 8.547 3.626 3.722 1.00 15.00 C ATOM 78 OE1 GLU A 434 9.552 4.285 4.063 1.00 15.00 O ATOM 79 OE2 GLU A 434 8.603 2.423 3.395 1.00 15.00 O ATOM 0 H GLU A 434 6.888 6.127 0.146 1.00 15.00 H new ATOM 0 HA GLU A 434 7.869 3.597 1.204 1.00 15.00 H new ATOM 0 HB2 GLU A 434 7.769 5.899 2.388 1.00 15.00 H new ATOM 0 HB3 GLU A 434 6.039 5.644 2.503 1.00 15.00 H new ATOM 0 HG2 GLU A 434 7.120 4.973 4.573 1.00 15.00 H new ATOM 0 HG3 GLU A 434 6.410 3.575 3.790 1.00 15.00 H new ATOM 86 N TRP A 435 4.968 3.804 -0.013 1.00 15.00 N ATOM 87 CA TRP A 435 3.721 3.099 -0.270 1.00 15.00 C ATOM 88 C TRP A 435 3.593 2.767 -1.749 1.00 15.00 C ATOM 89 O TRP A 435 3.486 3.660 -2.589 1.00 15.00 O ATOM 90 CB TRP A 435 2.515 3.933 0.178 1.00 15.00 C ATOM 91 CG TRP A 435 2.457 4.166 1.658 1.00 15.00 C ATOM 92 CD1 TRP A 435 2.679 5.342 2.312 1.00 15.00 C ATOM 93 CD2 TRP A 435 2.162 3.195 2.668 1.00 15.00 C ATOM 94 NE1 TRP A 435 2.535 5.164 3.665 1.00 15.00 N ATOM 95 CE2 TRP A 435 2.219 3.856 3.910 1.00 15.00 C ATOM 96 CE3 TRP A 435 1.852 1.831 2.645 1.00 15.00 C ATOM 97 CZ2 TRP A 435 1.982 3.201 5.114 1.00 15.00 C ATOM 98 CZ3 TRP A 435 1.615 1.182 3.842 1.00 15.00 C ATOM 99 CH2 TRP A 435 1.680 1.867 5.062 1.00 15.00 C ATOM 0 H TRP A 435 5.177 4.548 -0.679 1.00 15.00 H new ATOM 0 HA TRP A 435 3.737 2.173 0.305 1.00 15.00 H new ATOM 0 HB2 TRP A 435 2.542 4.896 -0.331 1.00 15.00 H new ATOM 0 HB3 TRP A 435 1.600 3.431 -0.138 1.00 15.00 H new ATOM 0 HD1 TRP A 435 2.931 6.277 1.835 1.00 15.00 H new ATOM 0 HE1 TRP A 435 2.646 5.890 4.373 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.799 1.295 1.709 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 2.034 3.726 6.056 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.376 0.129 3.837 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.488 1.332 5.980 1.00 15.00 H new ATOM 110 N THR A 436 3.632 1.482 -2.065 1.00 15.00 N ATOM 111 CA THR A 436 3.478 1.031 -3.439 1.00 15.00 C ATOM 112 C THR A 436 2.363 -0.009 -3.538 1.00 15.00 C ATOM 113 O THR A 436 2.370 -1.003 -2.815 1.00 15.00 O ATOM 114 CB THR A 436 4.793 0.429 -3.972 1.00 15.00 C ATOM 115 OG1 THR A 436 5.879 1.321 -3.686 1.00 15.00 O ATOM 116 CG2 THR A 436 4.717 0.187 -5.475 1.00 15.00 C ATOM 0 H THR A 436 3.769 0.732 -1.387 1.00 15.00 H new ATOM 0 HA THR A 436 3.217 1.897 -4.047 1.00 15.00 H new ATOM 0 HB THR A 436 4.957 -0.529 -3.478 1.00 15.00 H new ATOM 0 HG1 THR A 436 6.715 0.937 -4.023 1.00 15.00 H new ATOM 0 HG21 THR A 436 5.658 -0.238 -5.823 1.00 15.00 H new ATOM 0 HG22 THR A 436 3.904 -0.506 -5.691 1.00 15.00 H new ATOM 0 HG23 THR A 436 4.534 1.132 -5.987 1.00 15.00 H new ATOM 124 N GLU A 437 1.398 0.235 -4.416 1.00 15.00 N ATOM 125 CA GLU A 437 0.280 -0.683 -4.601 1.00 15.00 C ATOM 126 C GLU A 437 0.478 -1.543 -5.839 1.00 15.00 C ATOM 127 O GLU A 437 0.750 -1.032 -6.924 1.00 15.00 O ATOM 128 CB GLU A 437 -1.042 0.083 -4.707 1.00 15.00 C ATOM 129 CG GLU A 437 -1.047 1.206 -5.737 1.00 15.00 C ATOM 130 CD GLU A 437 -2.419 1.828 -5.909 1.00 15.00 C ATOM 131 OE1 GLU A 437 -2.821 2.643 -5.054 1.00 15.00 O ATOM 132 OE2 GLU A 437 -3.104 1.499 -6.901 1.00 15.00 O ATOM 0 H GLU A 437 1.367 1.062 -5.012 1.00 15.00 H new ATOM 0 HA GLU A 437 0.241 -1.334 -3.728 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.836 -0.622 -4.954 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -1.282 0.503 -3.730 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -0.338 1.976 -5.434 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -0.705 0.817 -6.696 1.00 15.00 H new ATOM 139 N TYR A 438 0.342 -2.849 -5.673 1.00 15.00 N ATOM 140 CA TYR A 438 0.449 -3.772 -6.790 1.00 15.00 C ATOM 141 C TYR A 438 -0.908 -4.375 -7.126 1.00 15.00 C ATOM 142 O TYR A 438 -1.520 -5.059 -6.303 1.00 15.00 O ATOM 143 CB TYR A 438 1.456 -4.878 -6.479 1.00 15.00 C ATOM 144 CG TYR A 438 2.876 -4.379 -6.343 1.00 15.00 C ATOM 145 CD1 TYR A 438 3.661 -4.161 -7.468 1.00 15.00 C ATOM 146 CD2 TYR A 438 3.433 -4.123 -5.095 1.00 15.00 C ATOM 147 CE1 TYR A 438 4.960 -3.705 -7.354 1.00 15.00 C ATOM 148 CE2 TYR A 438 4.732 -3.666 -4.974 1.00 15.00 C ATOM 149 CZ TYR A 438 5.489 -3.460 -6.106 1.00 15.00 C ATOM 150 OH TYR A 438 6.784 -3.011 -5.990 1.00 15.00 O ATOM 0 H TYR A 438 0.157 -3.294 -4.774 1.00 15.00 H new ATOM 0 HA TYR A 438 0.802 -3.213 -7.657 1.00 15.00 H new ATOM 0 HB2 TYR A 438 1.164 -5.375 -5.554 1.00 15.00 H new ATOM 0 HB3 TYR A 438 1.417 -5.627 -7.270 1.00 15.00 H new ATOM 0 HD1 TYR A 438 3.249 -4.351 -8.448 1.00 15.00 H new ATOM 0 HD2 TYR A 438 2.841 -4.284 -4.206 1.00 15.00 H new ATOM 0 HE1 TYR A 438 5.558 -3.541 -8.239 1.00 15.00 H new ATOM 0 HE2 TYR A 438 5.151 -3.472 -3.998 1.00 15.00 H new ATOM 0 HH TYR A 438 7.003 -2.886 -5.043 1.00 15.00 H new ATOM 160 N LYS A 439 -1.372 -4.101 -8.336 1.00 15.00 N ATOM 161 CA LYS A 439 -2.638 -4.625 -8.821 1.00 15.00 C ATOM 162 C LYS A 439 -2.413 -5.942 -9.557 1.00 15.00 C ATOM 163 O LYS A 439 -1.658 -5.995 -10.531 1.00 15.00 O ATOM 164 CB LYS A 439 -3.287 -3.606 -9.766 1.00 15.00 C ATOM 165 CG LYS A 439 -4.564 -4.097 -10.440 1.00 15.00 C ATOM 166 CD LYS A 439 -5.747 -4.167 -9.484 1.00 15.00 C ATOM 167 CE LYS A 439 -6.367 -2.794 -9.226 1.00 15.00 C ATOM 168 NZ LYS A 439 -5.557 -1.961 -8.298 1.00 15.00 N ATOM 0 H LYS A 439 -0.882 -3.510 -9.008 1.00 15.00 H new ATOM 0 HA LYS A 439 -3.298 -4.804 -7.973 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.512 -2.700 -9.204 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -2.566 -3.332 -10.536 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.811 -3.432 -11.268 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -4.388 -5.085 -10.866 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -6.505 -4.834 -9.896 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -5.422 -4.600 -8.538 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -6.481 -2.268 -10.174 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -7.367 -2.924 -8.812 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -6.172 -1.265 -7.830 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -5.115 -2.570 -7.581 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -4.817 -1.464 -8.834 1.00 15.00 H new ATOM 182 N THR A 440 -3.054 -7.001 -9.092 1.00 15.00 N ATOM 183 CA THR A 440 -2.979 -8.282 -9.768 1.00 15.00 C ATOM 184 C THR A 440 -4.098 -8.393 -10.798 1.00 15.00 C ATOM 185 O THR A 440 -5.163 -7.795 -10.630 1.00 15.00 O ATOM 186 CB THR A 440 -3.079 -9.455 -8.773 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.324 -9.394 -8.069 1.00 15.00 O ATOM 188 CG2 THR A 440 -1.932 -9.429 -7.774 1.00 15.00 C ATOM 0 H THR A 440 -3.631 -6.998 -8.251 1.00 15.00 H new ATOM 0 HA THR A 440 -2.010 -8.338 -10.265 1.00 15.00 H new ATOM 0 HB THR A 440 -3.022 -10.383 -9.342 1.00 15.00 H new ATOM 0 HG1 THR A 440 -4.279 -8.693 -7.386 1.00 15.00 H new ATOM 0 HG21 THR A 440 -2.030 -10.268 -7.086 1.00 15.00 H new ATOM 0 HG22 THR A 440 -0.984 -9.505 -8.306 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.959 -8.495 -7.213 1.00 15.00 H new ATOM 196 N ALA A 441 -3.844 -9.142 -11.864 1.00 15.00 N ATOM 197 CA ALA A 441 -4.823 -9.327 -12.934 1.00 15.00 C ATOM 198 C ALA A 441 -6.130 -9.906 -12.392 1.00 15.00 C ATOM 199 O ALA A 441 -7.209 -9.647 -12.928 1.00 15.00 O ATOM 200 CB ALA A 441 -4.253 -10.229 -14.018 1.00 15.00 C ATOM 0 H ALA A 441 -2.963 -9.635 -12.013 1.00 15.00 H new ATOM 0 HA ALA A 441 -5.042 -8.350 -13.366 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -4.992 -10.359 -14.809 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -3.353 -9.775 -14.433 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -4.005 -11.200 -13.590 1.00 15.00 H new ATOM 206 N ASP A 442 -6.018 -10.686 -11.322 1.00 15.00 N ATOM 207 CA ASP A 442 -7.172 -11.317 -10.686 1.00 15.00 C ATOM 208 C ASP A 442 -7.992 -10.317 -9.868 1.00 15.00 C ATOM 209 O ASP A 442 -9.060 -10.655 -9.350 1.00 15.00 O ATOM 210 CB ASP A 442 -6.715 -12.477 -9.799 1.00 15.00 C ATOM 211 CG ASP A 442 -5.558 -12.093 -8.902 1.00 15.00 C ATOM 212 OD1 ASP A 442 -4.402 -12.120 -9.375 1.00 15.00 O ATOM 213 OD2 ASP A 442 -5.789 -11.750 -7.728 1.00 15.00 O ATOM 0 H ASP A 442 -5.128 -10.899 -10.871 1.00 15.00 H new ATOM 0 HA ASP A 442 -7.817 -11.699 -11.478 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -7.551 -12.814 -9.186 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -6.421 -13.318 -10.427 1.00 15.00 H new ATOM 218 N GLY A 443 -7.498 -9.090 -9.755 1.00 15.00 N ATOM 219 CA GLY A 443 -8.259 -8.036 -9.110 1.00 15.00 C ATOM 220 C GLY A 443 -8.014 -7.934 -7.619 1.00 15.00 C ATOM 221 O GLY A 443 -8.935 -7.659 -6.850 1.00 15.00 O ATOM 0 H GLY A 443 -6.581 -8.805 -10.100 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -8.010 -7.083 -9.576 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -9.321 -8.208 -9.284 1.00 15.00 H new ATOM 225 N LYS A 444 -6.776 -8.149 -7.207 1.00 15.00 N ATOM 226 CA LYS A 444 -6.399 -7.999 -5.809 1.00 15.00 C ATOM 227 C LYS A 444 -5.208 -7.052 -5.695 1.00 15.00 C ATOM 228 O LYS A 444 -4.196 -7.223 -6.370 1.00 15.00 O ATOM 229 CB LYS A 444 -6.072 -9.364 -5.191 1.00 15.00 C ATOM 230 CG LYS A 444 -7.269 -10.307 -5.134 1.00 15.00 C ATOM 231 CD LYS A 444 -6.908 -11.664 -4.542 1.00 15.00 C ATOM 232 CE LYS A 444 -6.498 -11.563 -3.080 1.00 15.00 C ATOM 233 NZ LYS A 444 -7.582 -11.012 -2.225 1.00 15.00 N ATOM 0 H LYS A 444 -6.012 -8.429 -7.822 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.238 -7.574 -5.258 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -5.276 -9.834 -5.768 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -5.688 -9.215 -4.182 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -8.060 -9.852 -4.538 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -7.668 -10.446 -6.139 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -7.761 -12.336 -4.633 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -6.093 -12.104 -5.117 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -6.218 -12.551 -2.715 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -5.615 -10.930 -2.996 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -7.346 -11.165 -1.224 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -7.682 -9.993 -2.406 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -8.477 -11.493 -2.447 1.00 15.00 H new ATOM 247 N THR A 445 -5.333 -6.051 -4.842 1.00 15.00 N ATOM 248 CA THR A 445 -4.297 -5.041 -4.700 1.00 15.00 C ATOM 249 C THR A 445 -3.677 -5.091 -3.309 1.00 15.00 C ATOM 250 O THR A 445 -4.388 -5.028 -2.304 1.00 15.00 O ATOM 251 CB THR A 445 -4.867 -3.633 -4.954 1.00 15.00 C ATOM 252 OG1 THR A 445 -5.565 -3.613 -6.202 1.00 15.00 O ATOM 253 CG2 THR A 445 -3.761 -2.587 -4.974 1.00 15.00 C ATOM 0 H THR A 445 -6.142 -5.915 -4.236 1.00 15.00 H new ATOM 0 HA THR A 445 -3.527 -5.254 -5.441 1.00 15.00 H new ATOM 0 HB THR A 445 -5.553 -3.393 -4.142 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.453 -3.219 -6.074 1.00 15.00 H new ATOM 0 HG21 THR A 445 -4.194 -1.603 -5.155 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.245 -2.585 -4.014 1.00 15.00 H new ATOM 0 HG23 THR A 445 -3.051 -2.823 -5.767 1.00 15.00 H new ATOM 261 N TYR A 446 -2.360 -5.218 -3.251 1.00 15.00 N ATOM 262 CA TYR A 446 -1.669 -5.207 -1.976 1.00 15.00 C ATOM 263 C TYR A 446 -0.658 -4.063 -1.924 1.00 15.00 C ATOM 264 O TYR A 446 0.118 -3.845 -2.858 1.00 15.00 O ATOM 265 CB TYR A 446 -0.999 -6.564 -1.694 1.00 15.00 C ATOM 266 CG TYR A 446 0.204 -6.899 -2.555 1.00 15.00 C ATOM 267 CD1 TYR A 446 0.058 -7.498 -3.801 1.00 15.00 C ATOM 268 CD2 TYR A 446 1.491 -6.636 -2.102 1.00 15.00 C ATOM 269 CE1 TYR A 446 1.162 -7.827 -4.569 1.00 15.00 C ATOM 270 CE2 TYR A 446 2.598 -6.956 -2.865 1.00 15.00 C ATOM 271 CZ TYR A 446 2.429 -7.552 -4.098 1.00 15.00 C ATOM 272 OH TYR A 446 3.532 -7.884 -4.856 1.00 15.00 O ATOM 0 H TYR A 446 -1.755 -5.329 -4.065 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.406 -5.041 -1.190 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -0.691 -6.585 -0.649 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -1.744 -7.349 -1.823 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -0.932 -7.710 -4.176 1.00 15.00 H new ATOM 0 HD2 TYR A 446 1.629 -6.173 -1.136 1.00 15.00 H new ATOM 0 HE1 TYR A 446 1.032 -8.297 -5.533 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.591 -6.741 -2.498 1.00 15.00 H new ATOM 0 HH TYR A 446 4.347 -7.621 -4.380 1.00 15.00 H new ATOM 282 N TYR A 447 -0.704 -3.321 -0.831 1.00 15.00 N ATOM 283 CA TYR A 447 0.205 -2.215 -0.590 1.00 15.00 C ATOM 284 C TYR A 447 1.435 -2.699 0.147 1.00 15.00 C ATOM 285 O TYR A 447 1.330 -3.307 1.209 1.00 15.00 O ATOM 286 CB TYR A 447 -0.501 -1.135 0.229 1.00 15.00 C ATOM 287 CG TYR A 447 -1.480 -0.324 -0.580 1.00 15.00 C ATOM 288 CD1 TYR A 447 -2.800 -0.729 -0.723 1.00 15.00 C ATOM 289 CD2 TYR A 447 -1.071 0.832 -1.224 1.00 15.00 C ATOM 290 CE1 TYR A 447 -3.688 0.003 -1.481 1.00 15.00 C ATOM 291 CE2 TYR A 447 -1.952 1.568 -1.985 1.00 15.00 C ATOM 292 CZ TYR A 447 -3.257 1.151 -2.111 1.00 15.00 C ATOM 293 OH TYR A 447 -4.133 1.883 -2.875 1.00 15.00 O ATOM 0 H TYR A 447 -1.378 -3.471 -0.081 1.00 15.00 H new ATOM 0 HA TYR A 447 0.513 -1.796 -1.548 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.027 -1.604 1.061 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.246 -0.468 0.660 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.136 -1.631 -0.233 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -0.047 1.161 -1.128 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -4.714 -0.320 -1.581 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -1.620 2.468 -2.481 1.00 15.00 H new ATOM 0 HH TYR A 447 -3.733 2.061 -3.752 1.00 15.00 H new ATOM 303 N TYR A 448 2.591 -2.431 -0.423 1.00 15.00 N ATOM 304 CA TYR A 448 3.844 -2.863 0.160 1.00 15.00 C ATOM 305 C TYR A 448 4.551 -1.685 0.817 1.00 15.00 C ATOM 306 O TYR A 448 4.906 -0.711 0.149 1.00 15.00 O ATOM 307 CB TYR A 448 4.724 -3.487 -0.924 1.00 15.00 C ATOM 308 CG TYR A 448 5.867 -4.318 -0.389 1.00 15.00 C ATOM 309 CD1 TYR A 448 5.653 -5.617 0.057 1.00 15.00 C ATOM 310 CD2 TYR A 448 7.161 -3.813 -0.343 1.00 15.00 C ATOM 311 CE1 TYR A 448 6.695 -6.387 0.533 1.00 15.00 C ATOM 312 CE2 TYR A 448 8.208 -4.576 0.136 1.00 15.00 C ATOM 313 CZ TYR A 448 7.969 -5.863 0.570 1.00 15.00 C ATOM 314 OH TYR A 448 9.012 -6.636 1.036 1.00 15.00 O ATOM 0 H TYR A 448 2.689 -1.912 -1.296 1.00 15.00 H new ATOM 0 HA TYR A 448 3.647 -3.612 0.927 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.103 -4.113 -1.565 1.00 15.00 H new ATOM 0 HB3 TYR A 448 5.129 -2.692 -1.550 1.00 15.00 H new ATOM 0 HD1 TYR A 448 4.656 -6.030 0.031 1.00 15.00 H new ATOM 0 HD2 TYR A 448 7.351 -2.807 -0.688 1.00 15.00 H new ATOM 0 HE1 TYR A 448 6.513 -7.395 0.875 1.00 15.00 H new ATOM 0 HE2 TYR A 448 9.207 -4.167 0.170 1.00 15.00 H new ATOM 0 HH TYR A 448 9.844 -6.120 0.996 1.00 15.00 H new ATOM 324 N ASN A 449 4.710 -1.762 2.128 1.00 15.00 N ATOM 325 CA ASN A 449 5.451 -0.757 2.876 1.00 15.00 C ATOM 326 C ASN A 449 6.860 -1.251 3.141 1.00 15.00 C ATOM 327 O ASN A 449 7.053 -2.254 3.833 1.00 15.00 O ATOM 328 CB ASN A 449 4.748 -0.430 4.193 1.00 15.00 C ATOM 329 CG ASN A 449 5.553 0.523 5.062 1.00 15.00 C ATOM 330 OD1 ASN A 449 6.367 0.102 5.889 1.00 15.00 O ATOM 331 ND2 ASN A 449 5.344 1.815 4.871 1.00 15.00 N ATOM 0 H ASN A 449 4.333 -2.517 2.701 1.00 15.00 H new ATOM 0 HA ASN A 449 5.496 0.156 2.282 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.774 0.011 3.981 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.567 -1.353 4.743 1.00 15.00 H new ATOM 0 HD21 ASN A 449 5.864 2.502 5.417 1.00 15.00 H new ATOM 0 HD22 ASN A 449 4.663 2.124 4.178 1.00 15.00 H new ATOM 338 N ASN A 450 7.833 -0.531 2.602 1.00 15.00 N ATOM 339 CA ASN A 450 9.229 -0.961 2.631 1.00 15.00 C ATOM 340 C ASN A 450 9.832 -0.800 4.019 1.00 15.00 C ATOM 341 O ASN A 450 10.721 -1.552 4.411 1.00 15.00 O ATOM 342 CB ASN A 450 10.066 -0.152 1.634 1.00 15.00 C ATOM 343 CG ASN A 450 9.522 -0.197 0.221 1.00 15.00 C ATOM 344 OD1 ASN A 450 8.971 -1.204 -0.221 1.00 15.00 O ATOM 345 ND2 ASN A 450 9.664 0.905 -0.499 1.00 15.00 N ATOM 0 H ASN A 450 7.682 0.363 2.134 1.00 15.00 H new ATOM 0 HA ASN A 450 9.244 -2.016 2.356 1.00 15.00 H new ATOM 0 HB2 ASN A 450 10.111 0.885 1.966 1.00 15.00 H new ATOM 0 HB3 ASN A 450 11.088 -0.532 1.635 1.00 15.00 H new ATOM 0 HD21 ASN A 450 9.310 0.939 -1.455 1.00 15.00 H new ATOM 0 HD22 ASN A 450 10.127 1.720 -0.097 1.00 15.00 H new ATOM 352 N ARG A 451 9.362 0.205 4.741 1.00 15.00 N ATOM 353 CA ARG A 451 9.919 0.557 6.039 1.00 15.00 C ATOM 354 C ARG A 451 9.730 -0.553 7.067 1.00 15.00 C ATOM 355 O ARG A 451 10.611 -0.794 7.892 1.00 15.00 O ATOM 356 CB ARG A 451 9.286 1.856 6.550 1.00 15.00 C ATOM 357 CG ARG A 451 9.978 2.461 7.763 1.00 15.00 C ATOM 358 CD ARG A 451 11.411 2.869 7.450 1.00 15.00 C ATOM 359 NE ARG A 451 12.303 1.712 7.338 1.00 15.00 N ATOM 360 CZ ARG A 451 13.436 1.702 6.638 1.00 15.00 C ATOM 361 NH1 ARG A 451 13.861 2.804 6.034 1.00 15.00 N ATOM 362 NH2 ARG A 451 14.157 0.588 6.559 1.00 15.00 N ATOM 0 H ARG A 451 8.587 0.798 4.446 1.00 15.00 H new ATOM 0 HA ARG A 451 10.991 0.700 5.904 1.00 15.00 H new ATOM 0 HB2 ARG A 451 9.289 2.589 5.743 1.00 15.00 H new ATOM 0 HB3 ARG A 451 8.243 1.663 6.801 1.00 15.00 H new ATOM 0 HG2 ARG A 451 9.418 3.332 8.104 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.975 1.740 8.580 1.00 15.00 H new ATOM 0 HD2 ARG A 451 11.431 3.433 6.517 1.00 15.00 H new ATOM 0 HD3 ARG A 451 11.777 3.534 8.232 1.00 15.00 H new ATOM 0 HE ARG A 451 12.039 0.858 7.829 1.00 15.00 H new ATOM 0 HH11 ARG A 451 13.319 3.665 6.104 1.00 15.00 H new ATOM 0 HH12 ARG A 451 14.730 2.790 5.499 1.00 15.00 H new ATOM 0 HH21 ARG A 451 13.842 -0.258 7.034 1.00 15.00 H new ATOM 0 HH22 ARG A 451 15.025 0.579 6.023 1.00 15.00 H new ATOM 376 N THR A 452 8.580 -1.209 7.033 1.00 15.00 N ATOM 377 CA THR A 452 8.274 -2.237 8.018 1.00 15.00 C ATOM 378 C THR A 452 7.991 -3.582 7.343 1.00 15.00 C ATOM 379 O THR A 452 7.701 -4.572 8.014 1.00 15.00 O ATOM 380 CB THR A 452 7.067 -1.817 8.880 1.00 15.00 C ATOM 381 OG1 THR A 452 7.121 -0.404 9.118 1.00 15.00 O ATOM 382 CG2 THR A 452 7.066 -2.548 10.216 1.00 15.00 C ATOM 0 H THR A 452 7.848 -1.050 6.340 1.00 15.00 H new ATOM 0 HA THR A 452 9.147 -2.352 8.661 1.00 15.00 H new ATOM 0 HB THR A 452 6.155 -2.076 8.342 1.00 15.00 H new ATOM 0 HG1 THR A 452 6.353 -0.135 9.665 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.204 -2.232 10.803 1.00 15.00 H new ATOM 0 HG22 THR A 452 7.013 -3.623 10.043 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.981 -2.313 10.760 1.00 15.00 H new ATOM 390 N LEU A 453 8.087 -3.601 6.010 1.00 15.00 N ATOM 391 CA LEU A 453 7.852 -4.812 5.215 1.00 15.00 C ATOM 392 C LEU A 453 6.403 -5.287 5.351 1.00 15.00 C ATOM 393 O LEU A 453 6.099 -6.460 5.128 1.00 15.00 O ATOM 394 CB LEU A 453 8.817 -5.927 5.632 1.00 15.00 C ATOM 395 CG LEU A 453 10.301 -5.601 5.459 1.00 15.00 C ATOM 396 CD1 LEU A 453 11.158 -6.769 5.919 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.605 -5.249 4.010 1.00 15.00 C ATOM 0 H LEU A 453 8.329 -2.781 5.453 1.00 15.00 H new ATOM 0 HA LEU A 453 8.034 -4.565 4.169 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.635 -6.171 6.678 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.587 -6.821 5.051 1.00 15.00 H new ATOM 0 HG LEU A 453 10.540 -4.736 6.078 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.211 -6.521 5.789 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.960 -6.973 6.971 1.00 15.00 H new ATOM 0 HD13 LEU A 453 10.918 -7.652 5.327 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.666 -5.020 3.906 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.352 -6.094 3.370 1.00 15.00 H new ATOM 0 HD23 LEU A 453 10.016 -4.381 3.715 1.00 15.00 H new ATOM 409 N GLU A 454 5.503 -4.356 5.648 1.00 15.00 N ATOM 410 CA GLU A 454 4.102 -4.694 5.899 1.00 15.00 C ATOM 411 C GLU A 454 3.265 -4.514 4.640 1.00 15.00 C ATOM 412 O GLU A 454 3.496 -3.595 3.857 1.00 15.00 O ATOM 413 CB GLU A 454 3.526 -3.839 7.033 1.00 15.00 C ATOM 414 CG GLU A 454 4.012 -4.243 8.415 1.00 15.00 C ATOM 415 CD GLU A 454 3.206 -3.596 9.523 1.00 15.00 C ATOM 416 OE1 GLU A 454 2.028 -3.978 9.706 1.00 15.00 O ATOM 417 OE2 GLU A 454 3.736 -2.714 10.225 1.00 15.00 O ATOM 0 H GLU A 454 5.716 -3.361 5.721 1.00 15.00 H new ATOM 0 HA GLU A 454 4.065 -5.742 6.198 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.787 -2.796 6.857 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.438 -3.904 7.008 1.00 15.00 H new ATOM 0 HG2 GLU A 454 3.956 -5.327 8.514 1.00 15.00 H new ATOM 0 HG3 GLU A 454 5.061 -3.967 8.523 1.00 15.00 H new ATOM 424 N SER A 455 2.281 -5.382 4.466 1.00 15.00 N ATOM 425 CA SER A 455 1.418 -5.329 3.300 1.00 15.00 C ATOM 426 C SER A 455 -0.047 -5.204 3.721 1.00 15.00 C ATOM 427 O SER A 455 -0.520 -5.935 4.594 1.00 15.00 O ATOM 428 CB SER A 455 1.627 -6.579 2.440 1.00 15.00 C ATOM 429 OG SER A 455 0.968 -6.457 1.190 1.00 15.00 O ATOM 0 H SER A 455 2.061 -6.133 5.120 1.00 15.00 H new ATOM 0 HA SER A 455 1.677 -4.450 2.710 1.00 15.00 H new ATOM 0 HB2 SER A 455 2.693 -6.738 2.278 1.00 15.00 H new ATOM 0 HB3 SER A 455 1.251 -7.455 2.969 1.00 15.00 H new ATOM 0 HG SER A 455 0.918 -5.511 0.938 1.00 15.00 H new ATOM 435 N TYR A 456 -0.755 -4.267 3.104 1.00 15.00 N ATOM 436 CA TYR A 456 -2.166 -4.045 3.400 1.00 15.00 C ATOM 437 C TYR A 456 -2.992 -4.114 2.123 1.00 15.00 C ATOM 438 O TYR A 456 -2.669 -3.458 1.141 1.00 15.00 O ATOM 439 CB TYR A 456 -2.370 -2.677 4.051 1.00 15.00 C ATOM 440 CG TYR A 456 -1.518 -2.446 5.274 1.00 15.00 C ATOM 441 CD1 TYR A 456 -1.833 -3.045 6.485 1.00 15.00 C ATOM 442 CD2 TYR A 456 -0.402 -1.625 5.217 1.00 15.00 C ATOM 443 CE1 TYR A 456 -1.059 -2.832 7.606 1.00 15.00 C ATOM 444 CE2 TYR A 456 0.380 -1.408 6.333 1.00 15.00 C ATOM 445 CZ TYR A 456 0.048 -2.014 7.524 1.00 15.00 C ATOM 446 OH TYR A 456 0.820 -1.792 8.639 1.00 15.00 O ATOM 0 H TYR A 456 -0.373 -3.645 2.391 1.00 15.00 H new ATOM 0 HA TYR A 456 -2.492 -4.825 4.089 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -2.152 -1.901 3.317 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -3.419 -2.570 4.326 1.00 15.00 H new ATOM 0 HD1 TYR A 456 -2.698 -3.688 6.551 1.00 15.00 H new ATOM 0 HD2 TYR A 456 -0.141 -1.148 4.284 1.00 15.00 H new ATOM 0 HE1 TYR A 456 -1.318 -3.303 8.543 1.00 15.00 H new ATOM 0 HE2 TYR A 456 1.247 -0.767 6.273 1.00 15.00 H new ATOM 0 HH TYR A 456 0.912 -2.627 9.144 1.00 15.00 H new ATOM 456 N TRP A 457 -4.071 -4.878 2.150 1.00 15.00 N ATOM 457 CA TRP A 457 -4.950 -5.002 0.989 1.00 15.00 C ATOM 458 C TRP A 457 -5.888 -3.797 0.891 1.00 15.00 C ATOM 459 O TRP A 457 -6.767 -3.740 0.030 1.00 15.00 O ATOM 460 CB TRP A 457 -5.750 -6.306 1.070 1.00 15.00 C ATOM 461 CG TRP A 457 -4.878 -7.526 1.094 1.00 15.00 C ATOM 462 CD1 TRP A 457 -4.364 -8.151 2.196 1.00 15.00 C ATOM 463 CD2 TRP A 457 -4.406 -8.265 -0.039 1.00 15.00 C ATOM 464 NE1 TRP A 457 -3.603 -9.229 1.815 1.00 15.00 N ATOM 465 CE2 TRP A 457 -3.613 -9.320 0.450 1.00 15.00 C ATOM 466 CE3 TRP A 457 -4.577 -8.136 -1.421 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -2.994 -10.239 -0.392 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -3.959 -9.049 -2.255 1.00 15.00 C ATOM 469 CH2 TRP A 457 -3.176 -10.087 -1.737 1.00 15.00 C ATOM 0 H TRP A 457 -4.363 -5.423 2.961 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.336 -5.026 0.088 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -6.370 -6.291 1.967 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -6.426 -6.365 0.217 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -4.532 -7.842 3.217 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -3.110 -9.860 2.447 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -5.180 -7.338 -1.829 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -2.392 -11.043 0.004 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -4.082 -8.960 -3.324 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -2.705 -10.783 -2.416 1.00 15.00 H new ATOM 480 N GLU A 458 -5.677 -2.831 1.777 1.00 15.00 N ATOM 481 CA GLU A 458 -6.466 -1.609 1.810 1.00 15.00 C ATOM 482 C GLU A 458 -5.531 -0.408 1.779 1.00 15.00 C ATOM 483 O GLU A 458 -4.457 -0.451 2.380 1.00 15.00 O ATOM 484 CB GLU A 458 -7.316 -1.572 3.079 1.00 15.00 C ATOM 485 CG GLU A 458 -8.259 -2.754 3.215 1.00 15.00 C ATOM 486 CD GLU A 458 -8.975 -2.771 4.544 1.00 15.00 C ATOM 487 OE1 GLU A 458 -10.050 -2.145 4.654 1.00 15.00 O ATOM 488 OE2 GLU A 458 -8.464 -3.408 5.490 1.00 15.00 O ATOM 0 H GLU A 458 -4.952 -2.875 2.493 1.00 15.00 H new ATOM 0 HA GLU A 458 -7.126 -1.580 0.943 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -6.657 -1.542 3.947 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -7.898 -0.651 3.089 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -8.994 -2.723 2.410 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -7.696 -3.680 3.097 1.00 15.00 H new ATOM 495 N LYS A 459 -5.932 0.659 1.097 1.00 15.00 N ATOM 496 CA LYS A 459 -5.077 1.835 0.978 1.00 15.00 C ATOM 497 C LYS A 459 -5.012 2.601 2.296 1.00 15.00 C ATOM 498 O LYS A 459 -6.040 2.972 2.867 1.00 15.00 O ATOM 499 CB LYS A 459 -5.540 2.764 -0.159 1.00 15.00 C ATOM 500 CG LYS A 459 -6.921 3.373 0.027 1.00 15.00 C ATOM 501 CD LYS A 459 -7.230 4.430 -1.032 1.00 15.00 C ATOM 502 CE LYS A 459 -7.572 3.822 -2.389 1.00 15.00 C ATOM 503 NZ LYS A 459 -6.379 3.348 -3.145 1.00 15.00 N ATOM 0 H LYS A 459 -6.832 0.735 0.623 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.076 1.480 0.733 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -4.815 3.571 -0.265 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -5.531 2.202 -1.093 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -7.673 2.585 -0.017 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -6.988 3.822 1.018 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -8.064 5.045 -0.693 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -6.370 5.091 -1.141 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -8.255 2.985 -2.242 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -8.101 4.564 -2.988 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -6.585 3.364 -4.164 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -5.571 3.972 -2.946 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -6.147 2.377 -2.854 1.00 15.00 H new ATOM 517 N PRO A 460 -3.794 2.833 2.800 1.00 15.00 N ATOM 518 CA PRO A 460 -3.579 3.620 4.015 1.00 15.00 C ATOM 519 C PRO A 460 -4.049 5.056 3.827 1.00 15.00 C ATOM 520 O PRO A 460 -3.862 5.644 2.757 1.00 15.00 O ATOM 521 CB PRO A 460 -2.059 3.573 4.214 1.00 15.00 C ATOM 522 CG PRO A 460 -1.508 3.235 2.874 1.00 15.00 C ATOM 523 CD PRO A 460 -2.529 2.348 2.228 1.00 15.00 C ATOM 0 HA PRO A 460 -4.134 3.232 4.869 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.677 4.530 4.568 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -1.781 2.825 4.956 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.340 4.134 2.282 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.548 2.727 2.962 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -2.515 2.440 1.142 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -2.357 1.297 2.461 1.00 15.00 H new ATOM 531 N GLN A 461 -4.634 5.627 4.871 1.00 15.00 N ATOM 532 CA GLN A 461 -5.163 6.982 4.799 1.00 15.00 C ATOM 533 C GLN A 461 -4.029 7.974 4.558 1.00 15.00 C ATOM 534 O GLN A 461 -4.243 9.057 4.029 1.00 15.00 O ATOM 535 CB GLN A 461 -5.940 7.324 6.080 1.00 15.00 C ATOM 536 CG GLN A 461 -6.796 8.581 5.991 1.00 15.00 C ATOM 537 CD GLN A 461 -6.145 9.801 6.618 1.00 15.00 C ATOM 538 OE1 GLN A 461 -6.299 10.054 7.811 1.00 15.00 O ATOM 539 NE2 GLN A 461 -5.432 10.573 5.819 1.00 15.00 N ATOM 0 H GLN A 461 -4.754 5.174 5.777 1.00 15.00 H new ATOM 0 HA GLN A 461 -5.857 7.049 3.961 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.582 6.481 6.335 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.230 7.442 6.898 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.011 8.791 4.943 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -7.752 8.396 6.482 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -5.327 10.329 4.834 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -4.986 11.413 6.187 1.00 15.00 H new ATOM 548 N GLU A 462 -2.815 7.568 4.915 1.00 15.00 N ATOM 549 CA GLU A 462 -1.627 8.397 4.735 1.00 15.00 C ATOM 550 C GLU A 462 -1.363 8.659 3.249 1.00 15.00 C ATOM 551 O GLU A 462 -0.571 9.530 2.888 1.00 15.00 O ATOM 552 CB GLU A 462 -0.400 7.722 5.367 1.00 15.00 C ATOM 553 CG GLU A 462 -0.466 7.568 6.883 1.00 15.00 C ATOM 554 CD GLU A 462 -1.599 6.671 7.348 1.00 15.00 C ATOM 555 OE1 GLU A 462 -1.728 5.543 6.828 1.00 15.00 O ATOM 556 OE2 GLU A 462 -2.364 7.086 8.241 1.00 15.00 O ATOM 0 H GLU A 462 -2.626 6.658 5.336 1.00 15.00 H new ATOM 0 HA GLU A 462 -1.806 9.351 5.232 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -0.275 6.735 4.921 1.00 15.00 H new ATOM 0 HB3 GLU A 462 0.487 8.302 5.113 1.00 15.00 H new ATOM 0 HG2 GLU A 462 0.480 7.162 7.241 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -0.582 8.552 7.336 1.00 15.00 H new ATOM 563 N LEU A 463 -2.014 7.881 2.398 1.00 15.00 N ATOM 564 CA LEU A 463 -1.898 8.045 0.960 1.00 15.00 C ATOM 565 C LEU A 463 -3.035 8.917 0.433 1.00 15.00 C ATOM 566 O LEU A 463 -2.884 9.618 -0.571 1.00 15.00 O ATOM 567 CB LEU A 463 -1.909 6.674 0.273 1.00 15.00 C ATOM 568 CG LEU A 463 -1.844 6.694 -1.257 1.00 15.00 C ATOM 569 CD1 LEU A 463 -0.583 7.398 -1.735 1.00 15.00 C ATOM 570 CD2 LEU A 463 -1.890 5.275 -1.795 1.00 15.00 C ATOM 0 H LEU A 463 -2.634 7.123 2.684 1.00 15.00 H new ATOM 0 HA LEU A 463 -0.953 8.540 0.736 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -1.064 6.095 0.646 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -2.814 6.146 0.572 1.00 15.00 H new ATOM 0 HG LEU A 463 -2.705 7.246 -1.633 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -0.558 7.400 -2.825 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -0.579 8.425 -1.370 1.00 15.00 H new ATOM 0 HD13 LEU A 463 0.293 6.874 -1.353 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.843 5.297 -2.884 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -1.042 4.711 -1.407 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -2.818 4.797 -1.481 1.00 15.00 H new ATOM 582 N LYS A 464 -4.172 8.859 1.115 1.00 15.00 N ATOM 583 CA LYS A 464 -5.367 9.569 0.684 1.00 15.00 C ATOM 584 C LYS A 464 -5.329 11.011 1.183 1.00 15.00 C ATOM 585 O LYS A 464 -5.238 11.925 0.340 1.00 15.00 O ATOM 586 CB LYS A 464 -6.628 8.848 1.186 1.00 15.00 C ATOM 587 CG LYS A 464 -7.915 9.293 0.499 1.00 15.00 C ATOM 588 CD LYS A 464 -8.416 10.631 1.020 1.00 15.00 C ATOM 589 CE LYS A 464 -9.516 11.199 0.139 1.00 15.00 C ATOM 590 NZ LYS A 464 -9.019 11.523 -1.225 1.00 15.00 N ATOM 591 OXT LYS A 464 -5.378 11.224 2.410 1.00 15.00 O ATOM 0 H LYS A 464 -4.291 8.323 1.975 1.00 15.00 H new ATOM 0 HA LYS A 464 -5.396 9.583 -0.406 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -6.503 7.775 1.039 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -6.725 9.014 2.259 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -7.744 9.365 -0.575 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -8.685 8.536 0.649 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -8.790 10.509 2.037 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -7.587 11.337 1.068 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -10.332 10.480 0.067 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -9.923 12.098 0.601 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -9.666 12.199 -1.679 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -8.070 11.944 -1.158 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -8.973 10.653 -1.793 1.00 15.00 H new TER 605 LYS A 464