USER MOD reduce.3.24.130724 H: found=0, std=0, add=280, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 283 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 436 THR OG1 : rot 180:sc= 0.204 USER MOD Set 1.2: A 450 ASN : amide:sc= 1.18 K(o=1.4,f=0.15) USER MOD Set 2.1: A 449 ASN : amide:sc= -2.15! C(o=-1.4!,f=-11!) USER MOD Set 2.2: A 452 THR OG1 : rot 175:sc= 0.761 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 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ -171:sc= -5.97! (180deg=-6.22!) USER MOD Single : A 440 THR OG1 : rot 63:sc= 0.737 USER MOD Single : A 444 LYS NZ :NH3+ -178:sc= 1.05 (180deg=0.883) USER MOD Single : A 445 THR OG1 : rot 40:sc= 0.0288 USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot -179:sc= -0.692 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 455 SER OG : rot 180:sc= -0.273 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.239 USER MOD Single : A 459 LYS NZ :NH3+ 156:sc= 2.16 (180deg=1.28) USER MOD Single : A 461 GLN :FLIP amide:sc= -0.0157 F(o=-1.2,f=-0.016) USER MOD Single : A 464 LYS NZ :NH3+ 168:sc=-0.00566 (180deg=-0.168) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -15.630 16.780 -3.742 1.00 15.00 N ATOM 2 CA GLY A 428 -14.201 16.410 -3.858 1.00 15.00 C ATOM 3 C GLY A 428 -14.031 14.927 -4.087 1.00 15.00 C ATOM 4 O GLY A 428 -15.012 14.212 -4.286 1.00 15.00 O ATOM 0 HA2 GLY A 428 -13.747 16.961 -4.682 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -13.673 16.702 -2.950 1.00 15.00 H new ATOM 10 N ALA A 429 -12.795 14.457 -4.051 1.00 15.00 N ATOM 11 CA ALA A 429 -12.519 13.049 -4.260 1.00 15.00 C ATOM 12 C ALA A 429 -11.815 12.450 -3.052 1.00 15.00 C ATOM 13 O ALA A 429 -10.593 12.512 -2.940 1.00 15.00 O ATOM 14 CB ALA A 429 -11.684 12.849 -5.512 1.00 15.00 C ATOM 0 H ALA A 429 -11.969 15.030 -3.879 1.00 15.00 H new ATOM 0 HA ALA A 429 -13.470 12.534 -4.391 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -11.487 11.786 -5.652 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -12.225 13.235 -6.376 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -10.739 13.382 -5.408 1.00 15.00 H new ATOM 20 N THR A 430 -12.593 11.893 -2.142 1.00 15.00 N ATOM 21 CA THR A 430 -12.037 11.259 -0.962 1.00 15.00 C ATOM 22 C THR A 430 -12.681 9.891 -0.738 1.00 15.00 C ATOM 23 O THR A 430 -13.851 9.785 -0.358 1.00 15.00 O ATOM 24 CB THR A 430 -12.185 12.152 0.300 1.00 15.00 C ATOM 25 OG1 THR A 430 -11.754 11.441 1.468 1.00 15.00 O ATOM 26 CG2 THR A 430 -13.620 12.634 0.485 1.00 15.00 C ATOM 0 H THR A 430 -13.611 11.867 -2.198 1.00 15.00 H new ATOM 0 HA THR A 430 -10.970 11.120 -1.135 1.00 15.00 H new ATOM 0 HB THR A 430 -11.552 13.028 0.157 1.00 15.00 H new ATOM 0 HG1 THR A 430 -11.851 12.016 2.256 1.00 15.00 H new ATOM 0 HG21 THR A 430 -13.683 13.256 1.378 1.00 15.00 H new ATOM 0 HG22 THR A 430 -13.923 13.217 -0.385 1.00 15.00 H new ATOM 0 HG23 THR A 430 -14.281 11.774 0.594 1.00 15.00 H new ATOM 34 N ALA A 431 -11.919 8.845 -1.027 1.00 15.00 N ATOM 35 CA ALA A 431 -12.375 7.475 -0.841 1.00 15.00 C ATOM 36 C ALA A 431 -11.200 6.513 -0.929 1.00 15.00 C ATOM 37 O ALA A 431 -10.829 6.068 -2.013 1.00 15.00 O ATOM 38 CB ALA A 431 -13.434 7.112 -1.873 1.00 15.00 C ATOM 0 H ALA A 431 -10.971 8.922 -1.396 1.00 15.00 H new ATOM 0 HA ALA A 431 -12.823 7.394 0.150 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -13.759 6.084 -1.714 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -14.287 7.783 -1.770 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -13.015 7.209 -2.874 1.00 15.00 H new ATOM 44 N VAL A 432 -10.596 6.218 0.210 1.00 15.00 N ATOM 45 CA VAL A 432 -9.459 5.313 0.249 1.00 15.00 C ATOM 46 C VAL A 432 -9.548 4.373 1.447 1.00 15.00 C ATOM 47 O VAL A 432 -9.499 4.803 2.602 1.00 15.00 O ATOM 48 CB VAL A 432 -8.111 6.076 0.264 1.00 15.00 C ATOM 49 CG1 VAL A 432 -8.067 7.123 1.370 1.00 15.00 C ATOM 50 CG2 VAL A 432 -6.949 5.101 0.398 1.00 15.00 C ATOM 0 H VAL A 432 -10.873 6.591 1.118 1.00 15.00 H new ATOM 0 HA VAL A 432 -9.494 4.720 -0.665 1.00 15.00 H new ATOM 0 HB VAL A 432 -8.019 6.602 -0.686 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -7.106 7.636 1.347 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -8.868 7.846 1.218 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -8.196 6.637 2.337 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -6.010 5.654 0.407 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -7.049 4.541 1.328 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -6.955 4.410 -0.445 1.00 15.00 H new ATOM 60 N SER A 433 -9.716 3.091 1.161 1.00 15.00 N ATOM 61 CA SER A 433 -9.753 2.071 2.197 1.00 15.00 C ATOM 62 C SER A 433 -9.655 0.680 1.592 1.00 15.00 C ATOM 63 O SER A 433 -10.427 -0.218 1.922 1.00 15.00 O ATOM 64 CB SER A 433 -11.028 2.208 3.037 1.00 15.00 C ATOM 65 OG SER A 433 -12.160 2.471 2.218 1.00 15.00 O ATOM 0 H SER A 433 -9.830 2.731 0.213 1.00 15.00 H new ATOM 0 HA SER A 433 -8.892 2.215 2.850 1.00 15.00 H new ATOM 0 HB2 SER A 433 -11.192 1.292 3.605 1.00 15.00 H new ATOM 0 HB3 SER A 433 -10.905 3.014 3.760 1.00 15.00 H new ATOM 0 HG SER A 433 -12.959 2.552 2.780 1.00 15.00 H new ATOM 71 N GLU A 434 -8.678 0.503 0.721 1.00 15.00 N ATOM 72 CA GLU A 434 -8.450 -0.793 0.099 1.00 15.00 C ATOM 73 C GLU A 434 -7.010 -1.241 0.288 1.00 15.00 C ATOM 74 O GLU A 434 -6.702 -2.434 0.210 1.00 15.00 O ATOM 75 CB GLU A 434 -8.791 -0.765 -1.393 1.00 15.00 C ATOM 76 CG GLU A 434 -8.720 -2.130 -2.048 1.00 15.00 C ATOM 77 CD GLU A 434 -9.503 -2.196 -3.336 1.00 15.00 C ATOM 78 OE1 GLU A 434 -10.724 -2.430 -3.277 1.00 15.00 O ATOM 79 OE2 GLU A 434 -8.897 -2.045 -4.413 1.00 15.00 O ATOM 0 H GLU A 434 -8.031 1.235 0.428 1.00 15.00 H new ATOM 0 HA GLU A 434 -9.111 -1.507 0.591 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -9.794 -0.359 -1.522 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -8.105 -0.088 -1.903 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -7.678 -2.380 -2.247 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -9.101 -2.881 -1.356 1.00 15.00 H new ATOM 86 N TRP A 435 -6.123 -0.288 0.531 1.00 15.00 N ATOM 87 CA TRP A 435 -4.724 -0.621 0.704 1.00 15.00 C ATOM 88 C TRP A 435 -4.276 -0.372 2.117 1.00 15.00 C ATOM 89 O TRP A 435 -4.745 0.542 2.798 1.00 15.00 O ATOM 90 CB TRP A 435 -3.800 0.158 -0.216 1.00 15.00 C ATOM 91 CG TRP A 435 -4.036 -0.072 -1.682 1.00 15.00 C ATOM 92 CD1 TRP A 435 -5.097 0.362 -2.427 1.00 15.00 C ATOM 93 CD2 TRP A 435 -3.172 -0.767 -2.588 1.00 15.00 C ATOM 94 NE1 TRP A 435 -4.955 -0.047 -3.729 1.00 15.00 N ATOM 95 CE2 TRP A 435 -3.781 -0.734 -3.856 1.00 15.00 C ATOM 96 CE3 TRP A 435 -1.948 -1.420 -2.448 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -3.203 -1.325 -4.976 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -1.374 -2.006 -3.559 1.00 15.00 C ATOM 99 CH2 TRP A 435 -2.002 -1.957 -4.809 1.00 15.00 C ATOM 0 H TRP A 435 -6.345 0.704 0.611 1.00 15.00 H new ATOM 0 HA TRP A 435 -4.655 -1.680 0.454 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -3.912 1.222 -0.006 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -2.769 -0.106 0.018 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -5.925 0.942 -2.047 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -5.620 0.133 -4.482 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.457 -1.467 -1.487 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -3.685 -1.286 -5.941 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 -0.424 -2.511 -3.462 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -1.529 -2.428 -5.658 1.00 15.00 H new ATOM 110 N THR A 436 -3.319 -1.164 2.504 1.00 15.00 N ATOM 111 CA THR A 436 -2.750 -1.123 3.818 1.00 15.00 C ATOM 112 C THR A 436 -1.232 -1.083 3.705 1.00 15.00 C ATOM 113 O THR A 436 -0.652 -1.857 2.945 1.00 15.00 O ATOM 114 CB THR A 436 -3.171 -2.386 4.550 1.00 15.00 C ATOM 115 OG1 THR A 436 -4.602 -2.500 4.544 1.00 15.00 O ATOM 116 CG2 THR A 436 -2.654 -2.407 5.977 1.00 15.00 C ATOM 0 H THR A 436 -2.903 -1.873 1.900 1.00 15.00 H new ATOM 0 HA THR A 436 -3.092 -0.240 4.358 1.00 15.00 H new ATOM 0 HB THR A 436 -2.734 -3.237 4.027 1.00 15.00 H new ATOM 0 HG1 THR A 436 -4.867 -3.317 5.016 1.00 15.00 H new ATOM 0 HG21 THR A 436 -2.976 -3.326 6.467 1.00 15.00 H new ATOM 0 HG22 THR A 436 -1.565 -2.362 5.970 1.00 15.00 H new ATOM 0 HG23 THR A 436 -3.049 -1.548 6.520 1.00 15.00 H new ATOM 124 N GLU A 437 -0.585 -0.196 4.430 1.00 15.00 N ATOM 125 CA GLU A 437 0.857 -0.091 4.339 1.00 15.00 C ATOM 126 C GLU A 437 1.516 -0.404 5.677 1.00 15.00 C ATOM 127 O GLU A 437 1.140 0.121 6.724 1.00 15.00 O ATOM 128 CB GLU A 437 1.282 1.287 3.809 1.00 15.00 C ATOM 129 CG GLU A 437 1.061 2.450 4.759 1.00 15.00 C ATOM 130 CD GLU A 437 -0.404 2.742 5.041 1.00 15.00 C ATOM 131 OE1 GLU A 437 -0.995 2.073 5.912 1.00 15.00 O ATOM 132 OE2 GLU A 437 -0.970 3.653 4.401 1.00 15.00 O ATOM 0 H GLU A 437 -1.026 0.455 5.080 1.00 15.00 H new ATOM 0 HA GLU A 437 1.202 -0.836 3.622 1.00 15.00 H new ATOM 0 HB2 GLU A 437 2.340 1.247 3.552 1.00 15.00 H new ATOM 0 HB3 GLU A 437 0.737 1.486 2.886 1.00 15.00 H new ATOM 0 HG2 GLU A 437 1.568 2.239 5.701 1.00 15.00 H new ATOM 0 HG3 GLU A 437 1.526 3.343 4.340 1.00 15.00 H new ATOM 139 N TYR A 438 2.506 -1.273 5.620 1.00 15.00 N ATOM 140 CA TYR A 438 3.256 -1.692 6.797 1.00 15.00 C ATOM 141 C TYR A 438 4.729 -1.413 6.575 1.00 15.00 C ATOM 142 O TYR A 438 5.226 -1.578 5.462 1.00 15.00 O ATOM 143 CB TYR A 438 3.073 -3.191 7.065 1.00 15.00 C ATOM 144 CG TYR A 438 1.666 -3.603 7.434 1.00 15.00 C ATOM 145 CD1 TYR A 438 1.112 -3.249 8.658 1.00 15.00 C ATOM 146 CD2 TYR A 438 0.903 -4.368 6.564 1.00 15.00 C ATOM 147 CE1 TYR A 438 -0.166 -3.647 9.005 1.00 15.00 C ATOM 148 CE2 TYR A 438 -0.376 -4.766 6.901 1.00 15.00 C ATOM 149 CZ TYR A 438 -0.905 -4.405 8.121 1.00 15.00 C ATOM 150 OH TYR A 438 -2.179 -4.806 8.459 1.00 15.00 O ATOM 0 H TYR A 438 2.817 -1.713 4.754 1.00 15.00 H new ATOM 0 HA TYR A 438 2.883 -1.134 7.656 1.00 15.00 H new ATOM 0 HB2 TYR A 438 3.377 -3.744 6.176 1.00 15.00 H new ATOM 0 HB3 TYR A 438 3.746 -3.486 7.870 1.00 15.00 H new ATOM 0 HD1 TYR A 438 1.689 -2.653 9.350 1.00 15.00 H new ATOM 0 HD2 TYR A 438 1.315 -4.657 5.609 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -0.582 -3.366 9.961 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -0.959 -5.358 6.211 1.00 15.00 H new ATOM 0 HH TYR A 438 -2.562 -5.331 7.726 1.00 15.00 H new ATOM 160 N LYS A 439 5.435 -1.020 7.622 1.00 15.00 N ATOM 161 CA LYS A 439 6.859 -0.757 7.504 1.00 15.00 C ATOM 162 C LYS A 439 7.633 -2.041 7.782 1.00 15.00 C ATOM 163 O LYS A 439 7.533 -2.629 8.861 1.00 15.00 O ATOM 164 CB LYS A 439 7.293 0.357 8.466 1.00 15.00 C ATOM 165 CG LYS A 439 8.658 0.981 8.153 1.00 15.00 C ATOM 166 CD LYS A 439 8.605 2.049 7.043 1.00 15.00 C ATOM 167 CE LYS A 439 8.046 3.397 7.512 1.00 15.00 C ATOM 168 NZ LYS A 439 6.790 3.277 8.307 1.00 15.00 N ATOM 0 H LYS A 439 5.050 -0.877 8.555 1.00 15.00 H new ATOM 0 HA LYS A 439 7.075 -0.419 6.491 1.00 15.00 H new ATOM 0 HB2 LYS A 439 6.538 1.143 8.453 1.00 15.00 H new ATOM 0 HB3 LYS A 439 7.317 -0.046 9.479 1.00 15.00 H new ATOM 0 HG2 LYS A 439 9.060 1.431 9.061 1.00 15.00 H new ATOM 0 HG3 LYS A 439 9.349 0.193 7.855 1.00 15.00 H new ATOM 0 HD2 LYS A 439 9.610 2.200 6.648 1.00 15.00 H new ATOM 0 HD3 LYS A 439 7.992 1.677 6.222 1.00 15.00 H new ATOM 0 HE2 LYS A 439 8.800 3.904 8.114 1.00 15.00 H new ATOM 0 HE3 LYS A 439 7.857 4.025 6.642 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 6.385 4.222 8.461 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 6.107 2.688 7.790 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 7.001 2.837 9.225 1.00 15.00 H new ATOM 182 N THR A 440 8.392 -2.456 6.791 1.00 15.00 N ATOM 183 CA THR A 440 9.166 -3.676 6.829 1.00 15.00 C ATOM 184 C THR A 440 10.550 -3.406 7.393 1.00 15.00 C ATOM 185 O THR A 440 11.026 -2.279 7.327 1.00 15.00 O ATOM 186 CB THR A 440 9.283 -4.298 5.422 1.00 15.00 C ATOM 187 OG1 THR A 440 9.319 -3.268 4.430 1.00 15.00 O ATOM 188 CG2 THR A 440 8.114 -5.222 5.140 1.00 15.00 C ATOM 0 H THR A 440 8.490 -1.941 5.916 1.00 15.00 H new ATOM 0 HA THR A 440 8.649 -4.384 7.477 1.00 15.00 H new ATOM 0 HB THR A 440 10.207 -4.876 5.385 1.00 15.00 H new ATOM 0 HG1 THR A 440 10.117 -2.715 4.561 1.00 15.00 H new ATOM 0 HG21 THR A 440 8.219 -5.648 4.142 1.00 15.00 H new ATOM 0 HG22 THR A 440 8.098 -6.025 5.877 1.00 15.00 H new ATOM 0 HG23 THR A 440 7.183 -4.658 5.197 1.00 15.00 H new ATOM 196 N ALA A 441 11.133 -4.417 8.036 1.00 15.00 N ATOM 197 CA ALA A 441 12.462 -4.323 8.658 1.00 15.00 C ATOM 198 C ALA A 441 13.516 -3.644 7.769 1.00 15.00 C ATOM 199 O ALA A 441 14.548 -3.199 8.272 1.00 15.00 O ATOM 200 CB ALA A 441 12.939 -5.711 9.060 1.00 15.00 C ATOM 0 H ALA A 441 10.697 -5.333 8.143 1.00 15.00 H new ATOM 0 HA ALA A 441 12.348 -3.687 9.536 1.00 15.00 H new ATOM 0 HB1 ALA A 441 13.924 -5.638 9.521 1.00 15.00 H new ATOM 0 HB2 ALA A 441 12.237 -6.145 9.772 1.00 15.00 H new ATOM 0 HB3 ALA A 441 12.998 -6.346 8.176 1.00 15.00 H new ATOM 206 N ASP A 442 13.262 -3.558 6.460 1.00 15.00 N ATOM 207 CA ASP A 442 14.156 -2.838 5.543 1.00 15.00 C ATOM 208 C ASP A 442 14.070 -1.334 5.802 1.00 15.00 C ATOM 209 O ASP A 442 14.833 -0.537 5.251 1.00 15.00 O ATOM 210 CB ASP A 442 13.790 -3.126 4.085 1.00 15.00 C ATOM 211 CG ASP A 442 12.686 -2.220 3.572 1.00 15.00 C ATOM 212 OD1 ASP A 442 11.618 -2.158 4.211 1.00 15.00 O ATOM 213 OD2 ASP A 442 12.890 -1.567 2.528 1.00 15.00 O ATOM 0 H ASP A 442 12.447 -3.976 6.011 1.00 15.00 H new ATOM 0 HA ASP A 442 15.175 -3.182 5.722 1.00 15.00 H new ATOM 0 HB2 ASP A 442 14.675 -3.004 3.461 1.00 15.00 H new ATOM 0 HB3 ASP A 442 13.475 -4.165 3.991 1.00 15.00 H new ATOM 218 N GLY A 443 13.135 -0.970 6.662 1.00 15.00 N ATOM 219 CA GLY A 443 12.970 0.395 7.085 1.00 15.00 C ATOM 220 C GLY A 443 12.009 1.210 6.240 1.00 15.00 C ATOM 221 O GLY A 443 12.063 2.437 6.288 1.00 15.00 O ATOM 0 H GLY A 443 12.471 -1.620 7.083 1.00 15.00 H new ATOM 0 HA2 GLY A 443 12.620 0.401 8.117 1.00 15.00 H new ATOM 0 HA3 GLY A 443 13.944 0.884 7.076 1.00 15.00 H new ATOM 225 N LYS A 444 11.110 0.572 5.482 1.00 15.00 N ATOM 226 CA LYS A 444 10.056 1.346 4.822 1.00 15.00 C ATOM 227 C LYS A 444 8.754 0.554 4.674 1.00 15.00 C ATOM 228 O LYS A 444 8.685 -0.626 4.975 1.00 15.00 O ATOM 229 CB LYS A 444 10.354 1.710 3.451 1.00 15.00 C ATOM 230 CG LYS A 444 11.824 1.898 3.095 1.00 15.00 C ATOM 231 CD LYS A 444 11.995 2.362 1.656 1.00 15.00 C ATOM 232 CE LYS A 444 11.475 1.337 0.661 1.00 15.00 C ATOM 233 NZ LYS A 444 12.284 0.090 0.670 1.00 15.00 N ATOM 0 H LYS A 444 11.089 -0.434 5.315 1.00 15.00 H new ATOM 0 HA LYS A 444 9.974 2.218 5.471 1.00 15.00 H new ATOM 0 HB2 LYS A 444 9.942 0.941 2.798 1.00 15.00 H new ATOM 0 HB3 LYS A 444 9.828 2.637 3.223 1.00 15.00 H new ATOM 0 HG2 LYS A 444 12.272 2.628 3.769 1.00 15.00 H new ATOM 0 HG3 LYS A 444 12.358 0.959 3.241 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.467 3.305 1.514 1.00 15.00 H new ATOM 0 HD3 LYS A 444 13.050 2.555 1.460 1.00 15.00 H new ATOM 0 HE2 LYS A 444 10.438 1.098 0.896 1.00 15.00 H new ATOM 0 HE3 LYS A 444 11.484 1.767 -0.340 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 11.916 -0.568 -0.046 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 13.275 0.318 0.454 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 12.228 -0.354 1.609 1.00 15.00 H new ATOM 247 N THR A 445 7.731 1.256 4.182 1.00 15.00 N ATOM 248 CA THR A 445 6.391 0.710 4.035 1.00 15.00 C ATOM 249 C THR A 445 6.113 0.188 2.631 1.00 15.00 C ATOM 250 O THR A 445 6.546 0.774 1.638 1.00 15.00 O ATOM 251 CB THR A 445 5.331 1.774 4.362 1.00 15.00 C ATOM 252 OG1 THR A 445 5.757 3.050 3.864 1.00 15.00 O ATOM 253 CG2 THR A 445 5.072 1.872 5.856 1.00 15.00 C ATOM 0 H THR A 445 7.815 2.225 3.874 1.00 15.00 H new ATOM 0 HA THR A 445 6.334 -0.124 4.734 1.00 15.00 H new ATOM 0 HB THR A 445 4.400 1.475 3.879 1.00 15.00 H new ATOM 0 HG1 THR A 445 6.179 2.935 2.987 1.00 15.00 H new ATOM 0 HG21 THR A 445 4.317 2.635 6.045 1.00 15.00 H new ATOM 0 HG22 THR A 445 4.717 0.911 6.228 1.00 15.00 H new ATOM 0 HG23 THR A 445 5.996 2.141 6.369 1.00 15.00 H new ATOM 261 N TYR A 446 5.358 -0.897 2.575 1.00 15.00 N ATOM 262 CA TYR A 446 4.901 -1.475 1.317 1.00 15.00 C ATOM 263 C TYR A 446 3.376 -1.418 1.280 1.00 15.00 C ATOM 264 O TYR A 446 2.727 -1.491 2.327 1.00 15.00 O ATOM 265 CB TYR A 446 5.383 -2.929 1.179 1.00 15.00 C ATOM 266 CG TYR A 446 4.725 -3.895 2.143 1.00 15.00 C ATOM 267 CD1 TYR A 446 5.249 -4.110 3.410 1.00 15.00 C ATOM 268 CD2 TYR A 446 3.578 -4.589 1.780 1.00 15.00 C ATOM 269 CE1 TYR A 446 4.649 -4.990 4.288 1.00 15.00 C ATOM 270 CE2 TYR A 446 2.973 -5.471 2.653 1.00 15.00 C ATOM 271 CZ TYR A 446 3.510 -5.667 3.906 1.00 15.00 C ATOM 272 OH TYR A 446 2.911 -6.540 4.780 1.00 15.00 O ATOM 0 H TYR A 446 5.043 -1.405 3.402 1.00 15.00 H new ATOM 0 HA TYR A 446 5.315 -0.906 0.484 1.00 15.00 H new ATOM 0 HB2 TYR A 446 5.196 -3.267 0.160 1.00 15.00 H new ATOM 0 HB3 TYR A 446 6.462 -2.959 1.332 1.00 15.00 H new ATOM 0 HD1 TYR A 446 6.140 -3.581 3.714 1.00 15.00 H new ATOM 0 HD2 TYR A 446 3.153 -4.436 0.799 1.00 15.00 H new ATOM 0 HE1 TYR A 446 5.070 -5.148 5.270 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.083 -6.005 2.355 1.00 15.00 H new ATOM 0 HH TYR A 446 2.119 -6.934 4.358 1.00 15.00 H new ATOM 282 N TYR A 447 2.801 -1.303 0.094 1.00 15.00 N ATOM 283 CA TYR A 447 1.359 -1.169 -0.027 1.00 15.00 C ATOM 284 C TYR A 447 0.707 -2.488 -0.421 1.00 15.00 C ATOM 285 O TYR A 447 1.075 -3.114 -1.415 1.00 15.00 O ATOM 286 CB TYR A 447 1.018 -0.062 -1.021 1.00 15.00 C ATOM 287 CG TYR A 447 1.571 1.275 -0.596 1.00 15.00 C ATOM 288 CD1 TYR A 447 1.019 1.954 0.479 1.00 15.00 C ATOM 289 CD2 TYR A 447 2.659 1.845 -1.243 1.00 15.00 C ATOM 290 CE1 TYR A 447 1.525 3.169 0.898 1.00 15.00 C ATOM 291 CE2 TYR A 447 3.173 3.062 -0.837 1.00 15.00 C ATOM 292 CZ TYR A 447 2.604 3.721 0.234 1.00 15.00 C ATOM 293 OH TYR A 447 3.114 4.932 0.639 1.00 15.00 O ATOM 0 H TYR A 447 3.306 -1.300 -0.792 1.00 15.00 H new ATOM 0 HA TYR A 447 0.957 -0.894 0.948 1.00 15.00 H new ATOM 0 HB2 TYR A 447 1.415 -0.322 -2.002 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.065 0.011 -1.124 1.00 15.00 H new ATOM 0 HD1 TYR A 447 0.176 1.524 1.000 1.00 15.00 H new ATOM 0 HD2 TYR A 447 3.111 1.329 -2.077 1.00 15.00 H new ATOM 0 HE1 TYR A 447 1.081 3.683 1.738 1.00 15.00 H new ATOM 0 HE2 TYR A 447 4.016 3.495 -1.355 1.00 15.00 H new ATOM 0 HH TYR A 447 3.861 5.184 0.056 1.00 15.00 H new ATOM 303 N TYR A 448 -0.266 -2.889 0.381 1.00 15.00 N ATOM 304 CA TYR A 448 -0.980 -4.144 0.201 1.00 15.00 C ATOM 305 C TYR A 448 -2.448 -3.891 -0.130 1.00 15.00 C ATOM 306 O TYR A 448 -3.161 -3.244 0.635 1.00 15.00 O ATOM 307 CB TYR A 448 -0.844 -4.972 1.485 1.00 15.00 C ATOM 308 CG TYR A 448 -1.681 -6.236 1.551 1.00 15.00 C ATOM 309 CD1 TYR A 448 -1.179 -7.454 1.108 1.00 15.00 C ATOM 310 CD2 TYR A 448 -2.962 -6.216 2.094 1.00 15.00 C ATOM 311 CE1 TYR A 448 -1.930 -8.612 1.201 1.00 15.00 C ATOM 312 CE2 TYR A 448 -3.719 -7.369 2.184 1.00 15.00 C ATOM 313 CZ TYR A 448 -3.199 -8.564 1.740 1.00 15.00 C ATOM 314 OH TYR A 448 -3.948 -9.716 1.839 1.00 15.00 O ATOM 0 H TYR A 448 -0.586 -2.347 1.184 1.00 15.00 H new ATOM 0 HA TYR A 448 -0.549 -4.694 -0.636 1.00 15.00 H new ATOM 0 HB2 TYR A 448 0.204 -5.246 1.608 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -1.109 -4.339 2.332 1.00 15.00 H new ATOM 0 HD1 TYR A 448 -0.187 -7.497 0.684 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -3.372 -5.283 2.451 1.00 15.00 H new ATOM 0 HE1 TYR A 448 -1.524 -9.550 0.853 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -4.715 -7.333 2.601 1.00 15.00 H new ATOM 0 HH TYR A 448 -4.817 -9.508 2.242 1.00 15.00 H new ATOM 324 N ASN A 449 -2.889 -4.397 -1.274 1.00 15.00 N ATOM 325 CA ASN A 449 -4.292 -4.293 -1.671 1.00 15.00 C ATOM 326 C ASN A 449 -5.046 -5.505 -1.160 1.00 15.00 C ATOM 327 O ASN A 449 -4.627 -6.642 -1.391 1.00 15.00 O ATOM 328 CB ASN A 449 -4.435 -4.205 -3.191 1.00 15.00 C ATOM 329 CG ASN A 449 -5.882 -4.057 -3.638 1.00 15.00 C ATOM 330 OD1 ASN A 449 -6.576 -5.052 -3.859 1.00 15.00 O ATOM 331 ND2 ASN A 449 -6.358 -2.823 -3.755 1.00 15.00 N ATOM 0 H ASN A 449 -2.297 -4.885 -1.946 1.00 15.00 H new ATOM 0 HA ASN A 449 -4.706 -3.382 -1.239 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -3.857 -3.356 -3.557 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -4.009 -5.100 -3.644 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -7.327 -2.675 -4.036 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -5.754 -2.023 -3.564 1.00 15.00 H new ATOM 338 N ASN A 450 -6.165 -5.260 -0.493 1.00 15.00 N ATOM 339 CA ASN A 450 -6.894 -6.312 0.204 1.00 15.00 C ATOM 340 C ASN A 450 -7.766 -7.159 -0.725 1.00 15.00 C ATOM 341 O ASN A 450 -8.234 -8.223 -0.326 1.00 15.00 O ATOM 342 CB ASN A 450 -7.742 -5.715 1.330 1.00 15.00 C ATOM 343 CG ASN A 450 -6.905 -5.306 2.532 1.00 15.00 C ATOM 344 OD1 ASN A 450 -6.687 -6.103 3.445 1.00 15.00 O ATOM 345 ND2 ASN A 450 -6.425 -4.068 2.543 1.00 15.00 N ATOM 0 H ASN A 450 -6.591 -4.336 -0.419 1.00 15.00 H new ATOM 0 HA ASN A 450 -6.145 -6.983 0.624 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -8.281 -4.846 0.953 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -8.490 -6.443 1.643 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -5.854 -3.749 3.326 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -6.627 -3.436 1.768 1.00 15.00 H new ATOM 352 N ARG A 451 -7.998 -6.706 -1.952 1.00 15.00 N ATOM 353 CA ARG A 451 -8.770 -7.505 -2.905 1.00 15.00 C ATOM 354 C ARG A 451 -7.886 -8.550 -3.570 1.00 15.00 C ATOM 355 O ARG A 451 -8.186 -9.741 -3.547 1.00 15.00 O ATOM 356 CB ARG A 451 -9.416 -6.639 -3.987 1.00 15.00 C ATOM 357 CG ARG A 451 -10.768 -6.059 -3.607 1.00 15.00 C ATOM 358 CD ARG A 451 -11.423 -5.377 -4.801 1.00 15.00 C ATOM 359 NE ARG A 451 -10.613 -4.265 -5.290 1.00 15.00 N ATOM 360 CZ ARG A 451 -10.035 -4.215 -6.491 1.00 15.00 C ATOM 361 NH1 ARG A 451 -10.209 -5.197 -7.368 1.00 15.00 N ATOM 362 NH2 ARG A 451 -9.273 -3.178 -6.811 1.00 15.00 N ATOM 0 H ARG A 451 -7.671 -5.808 -2.308 1.00 15.00 H new ATOM 0 HA ARG A 451 -9.560 -7.995 -2.336 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -8.739 -5.820 -4.231 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -9.532 -7.237 -4.891 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -11.417 -6.852 -3.235 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -10.645 -5.341 -2.796 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -11.569 -6.102 -5.601 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -12.410 -5.013 -4.517 1.00 15.00 H new ATOM 0 HE ARG A 451 -10.479 -3.468 -4.668 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -10.790 -6.000 -7.126 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -9.762 -5.148 -8.284 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -9.131 -2.423 -6.140 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -8.829 -3.135 -7.728 1.00 15.00 H new ATOM 376 N THR A 452 -6.799 -8.091 -4.169 1.00 15.00 N ATOM 377 CA THR A 452 -5.890 -8.971 -4.884 1.00 15.00 C ATOM 378 C THR A 452 -4.851 -9.578 -3.949 1.00 15.00 C ATOM 379 O THR A 452 -4.131 -10.507 -4.324 1.00 15.00 O ATOM 380 CB THR A 452 -5.180 -8.203 -6.008 1.00 15.00 C ATOM 381 OG1 THR A 452 -4.729 -6.942 -5.500 1.00 15.00 O ATOM 382 CG2 THR A 452 -6.113 -7.978 -7.189 1.00 15.00 C ATOM 0 H THR A 452 -6.524 -7.109 -4.174 1.00 15.00 H new ATOM 0 HA THR A 452 -6.483 -9.780 -5.311 1.00 15.00 H new ATOM 0 HB THR A 452 -4.331 -8.792 -6.355 1.00 15.00 H new ATOM 0 HG1 THR A 452 -4.208 -6.479 -6.189 1.00 15.00 H new ATOM 0 HG21 THR A 452 -5.585 -7.432 -7.971 1.00 15.00 H new ATOM 0 HG22 THR A 452 -6.445 -8.940 -7.579 1.00 15.00 H new ATOM 0 HG23 THR A 452 -6.978 -7.400 -6.864 1.00 15.00 H new ATOM 390 N GLU A 453 -4.791 -9.045 -2.726 1.00 15.00 N ATOM 391 CA GLU A 453 -3.830 -9.492 -1.717 1.00 15.00 C ATOM 392 C GLU A 453 -2.403 -9.215 -2.182 1.00 15.00 C ATOM 393 O GLU A 453 -1.462 -9.908 -1.792 1.00 15.00 O ATOM 394 CB GLU A 453 -4.013 -10.983 -1.416 1.00 15.00 C ATOM 395 CG GLU A 453 -5.393 -11.337 -0.883 1.00 15.00 C ATOM 396 CD GLU A 453 -5.509 -12.799 -0.512 1.00 15.00 C ATOM 397 OE1 GLU A 453 -5.290 -13.656 -1.390 1.00 15.00 O ATOM 398 OE2 GLU A 453 -5.815 -13.100 0.658 1.00 15.00 O ATOM 0 H GLU A 453 -5.405 -8.295 -2.409 1.00 15.00 H new ATOM 0 HA GLU A 453 -4.013 -8.933 -0.799 1.00 15.00 H new ATOM 0 HB2 GLU A 453 -3.828 -11.553 -2.326 1.00 15.00 H new ATOM 0 HB3 GLU A 453 -3.263 -11.292 -0.688 1.00 15.00 H new ATOM 0 HG2 GLU A 453 -5.610 -10.724 -0.008 1.00 15.00 H new ATOM 0 HG3 GLU A 453 -6.143 -11.095 -1.636 1.00 15.00 H new ATOM 405 N GLU A 454 -2.239 -8.152 -2.956 1.00 15.00 N ATOM 406 CA GLU A 454 -0.951 -7.868 -3.582 1.00 15.00 C ATOM 407 C GLU A 454 -0.163 -6.847 -2.768 1.00 15.00 C ATOM 408 O GLU A 454 -0.726 -5.884 -2.250 1.00 15.00 O ATOM 409 CB GLU A 454 -1.143 -7.369 -5.020 1.00 15.00 C ATOM 410 CG GLU A 454 -1.782 -5.995 -5.128 1.00 15.00 C ATOM 411 CD GLU A 454 -1.949 -5.552 -6.565 1.00 15.00 C ATOM 412 OE1 GLU A 454 -0.986 -5.018 -7.146 1.00 15.00 O ATOM 413 OE2 GLU A 454 -3.048 -5.753 -7.128 1.00 15.00 O ATOM 0 H GLU A 454 -2.973 -7.476 -3.166 1.00 15.00 H new ATOM 0 HA GLU A 454 -0.381 -8.797 -3.611 1.00 15.00 H new ATOM 0 HB2 GLU A 454 -0.173 -7.345 -5.516 1.00 15.00 H new ATOM 0 HB3 GLU A 454 -1.760 -8.087 -5.561 1.00 15.00 H new ATOM 0 HG2 GLU A 454 -2.756 -6.010 -4.639 1.00 15.00 H new ATOM 0 HG3 GLU A 454 -1.169 -5.268 -4.595 1.00 15.00 H new ATOM 420 N SER A 455 1.137 -7.069 -2.660 1.00 15.00 N ATOM 421 CA SER A 455 2.022 -6.135 -1.981 1.00 15.00 C ATOM 422 C SER A 455 3.016 -5.551 -2.978 1.00 15.00 C ATOM 423 O SER A 455 3.771 -6.282 -3.616 1.00 15.00 O ATOM 424 CB SER A 455 2.765 -6.840 -0.845 1.00 15.00 C ATOM 425 OG SER A 455 1.880 -7.662 -0.106 1.00 15.00 O ATOM 0 H SER A 455 1.606 -7.893 -3.036 1.00 15.00 H new ATOM 0 HA SER A 455 1.427 -5.326 -1.556 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.576 -7.444 -1.253 1.00 15.00 H new ATOM 0 HB3 SER A 455 3.219 -6.100 -0.186 1.00 15.00 H new ATOM 0 HG SER A 455 2.372 -8.106 0.616 1.00 15.00 H new ATOM 431 N THR A 456 3.002 -4.239 -3.120 1.00 15.00 N ATOM 432 CA THR A 456 3.865 -3.569 -4.076 1.00 15.00 C ATOM 433 C THR A 456 4.436 -2.287 -3.478 1.00 15.00 C ATOM 434 O THR A 456 3.823 -1.675 -2.597 1.00 15.00 O ATOM 435 CB THR A 456 3.112 -3.250 -5.388 1.00 15.00 C ATOM 436 OG1 THR A 456 3.997 -2.638 -6.334 1.00 15.00 O ATOM 437 CG2 THR A 456 1.923 -2.332 -5.134 1.00 15.00 C ATOM 0 H THR A 456 2.400 -3.614 -2.584 1.00 15.00 H new ATOM 0 HA THR A 456 4.685 -4.248 -4.310 1.00 15.00 H new ATOM 0 HB THR A 456 2.741 -4.191 -5.794 1.00 15.00 H new ATOM 0 HG1 THR A 456 3.508 -2.443 -7.161 1.00 15.00 H new ATOM 0 HG21 THR A 456 1.414 -2.126 -6.076 1.00 15.00 H new ATOM 0 HG22 THR A 456 1.230 -2.816 -4.446 1.00 15.00 H new ATOM 0 HG23 THR A 456 2.273 -1.396 -4.699 1.00 15.00 H new ATOM 445 N TRP A 457 5.632 -1.912 -3.920 1.00 15.00 N ATOM 446 CA TRP A 457 6.246 -0.672 -3.478 1.00 15.00 C ATOM 447 C TRP A 457 5.802 0.487 -4.368 1.00 15.00 C ATOM 448 O TRP A 457 6.190 1.637 -4.150 1.00 15.00 O ATOM 449 CB TRP A 457 7.774 -0.774 -3.471 1.00 15.00 C ATOM 450 CG TRP A 457 8.306 -1.882 -2.610 1.00 15.00 C ATOM 451 CD1 TRP A 457 8.564 -3.171 -2.983 1.00 15.00 C ATOM 452 CD2 TRP A 457 8.585 -1.809 -1.210 1.00 15.00 C ATOM 453 NE1 TRP A 457 9.039 -3.886 -1.908 1.00 15.00 N ATOM 454 CE2 TRP A 457 9.050 -3.074 -0.805 1.00 15.00 C ATOM 455 CE3 TRP A 457 8.499 -0.790 -0.262 1.00 15.00 C ATOM 456 CZ2 TRP A 457 9.431 -3.341 0.512 1.00 15.00 C ATOM 457 CZ3 TRP A 457 8.870 -1.059 1.039 1.00 15.00 C ATOM 458 CH2 TRP A 457 9.328 -2.318 1.417 1.00 15.00 C ATOM 0 H TRP A 457 6.191 -2.450 -4.582 1.00 15.00 H new ATOM 0 HA TRP A 457 5.917 -0.485 -2.456 1.00 15.00 H new ATOM 0 HB2 TRP A 457 8.123 -0.922 -4.493 1.00 15.00 H new ATOM 0 HB3 TRP A 457 8.190 0.173 -3.126 1.00 15.00 H new ATOM 0 HD1 TRP A 457 8.417 -3.570 -3.976 1.00 15.00 H new ATOM 0 HE1 TRP A 457 9.335 -4.862 -1.929 1.00 15.00 H new ATOM 0 HE3 TRP A 457 8.148 0.192 -0.541 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 9.793 -4.316 0.805 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 8.804 -0.276 1.780 1.00 15.00 H new ATOM 0 HH2 TRP A 457 9.608 -2.492 2.445 1.00 15.00 H new ATOM 469 N GLU A 458 4.998 0.176 -5.377 1.00 15.00 N ATOM 470 CA GLU A 458 4.403 1.200 -6.218 1.00 15.00 C ATOM 471 C GLU A 458 3.202 1.802 -5.502 1.00 15.00 C ATOM 472 O GLU A 458 2.323 1.076 -5.040 1.00 15.00 O ATOM 473 CB GLU A 458 3.990 0.609 -7.568 1.00 15.00 C ATOM 474 CG GLU A 458 3.222 1.580 -8.450 1.00 15.00 C ATOM 475 CD GLU A 458 3.011 1.055 -9.853 1.00 15.00 C ATOM 476 OE1 GLU A 458 2.496 -0.071 -10.002 1.00 15.00 O ATOM 477 OE2 GLU A 458 3.349 1.774 -10.816 1.00 15.00 O ATOM 0 H GLU A 458 4.744 -0.779 -5.631 1.00 15.00 H new ATOM 0 HA GLU A 458 5.135 1.985 -6.407 1.00 15.00 H new ATOM 0 HB2 GLU A 458 4.883 0.278 -8.098 1.00 15.00 H new ATOM 0 HB3 GLU A 458 3.376 -0.275 -7.395 1.00 15.00 H new ATOM 0 HG2 GLU A 458 2.254 1.789 -7.995 1.00 15.00 H new ATOM 0 HG3 GLU A 458 3.762 2.526 -8.498 1.00 15.00 H new ATOM 484 N LYS A 459 3.168 3.125 -5.419 1.00 15.00 N ATOM 485 CA LYS A 459 2.158 3.811 -4.628 1.00 15.00 C ATOM 486 C LYS A 459 0.803 3.796 -5.335 1.00 15.00 C ATOM 487 O LYS A 459 0.666 4.304 -6.449 1.00 15.00 O ATOM 488 CB LYS A 459 2.597 5.251 -4.340 1.00 15.00 C ATOM 489 CG LYS A 459 1.950 5.844 -3.097 1.00 15.00 C ATOM 490 CD LYS A 459 2.586 7.172 -2.723 1.00 15.00 C ATOM 491 CE LYS A 459 2.262 7.569 -1.289 1.00 15.00 C ATOM 492 NZ LYS A 459 0.815 7.851 -1.086 1.00 15.00 N ATOM 0 H LYS A 459 3.828 3.744 -5.890 1.00 15.00 H new ATOM 0 HA LYS A 459 2.049 3.281 -3.682 1.00 15.00 H new ATOM 0 HB2 LYS A 459 3.680 5.276 -4.223 1.00 15.00 H new ATOM 0 HB3 LYS A 459 2.354 5.876 -5.200 1.00 15.00 H new ATOM 0 HG2 LYS A 459 0.884 5.986 -3.272 1.00 15.00 H new ATOM 0 HG3 LYS A 459 2.046 5.145 -2.266 1.00 15.00 H new ATOM 0 HD2 LYS A 459 3.667 7.105 -2.846 1.00 15.00 H new ATOM 0 HD3 LYS A 459 2.235 7.948 -3.403 1.00 15.00 H new ATOM 0 HE2 LYS A 459 2.570 6.769 -0.616 1.00 15.00 H new ATOM 0 HE3 LYS A 459 2.842 8.452 -1.021 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 0.572 7.716 -0.084 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 0.610 8.832 -1.363 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 0.250 7.202 -1.670 1.00 15.00 H new ATOM 506 N PRO A 460 -0.199 3.172 -4.689 1.00 15.00 N ATOM 507 CA PRO A 460 -1.592 3.132 -5.152 1.00 15.00 C ATOM 508 C PRO A 460 -2.105 4.485 -5.645 1.00 15.00 C ATOM 509 O PRO A 460 -1.702 5.540 -5.155 1.00 15.00 O ATOM 510 CB PRO A 460 -2.374 2.703 -3.897 1.00 15.00 C ATOM 511 CG PRO A 460 -1.370 2.610 -2.793 1.00 15.00 C ATOM 512 CD PRO A 460 -0.046 2.415 -3.451 1.00 15.00 C ATOM 0 HA PRO A 460 -1.703 2.463 -6.005 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.152 3.428 -3.656 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.869 1.745 -4.055 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.374 3.515 -2.186 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -1.600 1.779 -2.127 1.00 15.00 H new ATOM 0 HD2 PRO A 460 0.772 2.796 -2.840 1.00 15.00 H new ATOM 0 HD3 PRO A 460 0.162 1.362 -3.641 1.00 15.00 H new ATOM 520 N GLN A 461 -3.033 4.435 -6.586 1.00 15.00 N ATOM 521 CA GLN A 461 -3.597 5.637 -7.182 1.00 15.00 C ATOM 522 C GLN A 461 -4.690 6.192 -6.283 1.00 15.00 C ATOM 523 O GLN A 461 -4.932 7.398 -6.232 1.00 15.00 O ATOM 524 CB GLN A 461 -4.170 5.304 -8.555 1.00 15.00 C ATOM 525 CG GLN A 461 -4.468 6.516 -9.422 1.00 15.00 C ATOM 526 CD GLN A 461 -4.998 6.132 -10.790 1.00 15.00 C ATOM 527 OE1 GLN A 461 -4.545 5.000 -11.311 1.00 15.00 O flip ATOM 528 NE2 GLN A 461 -5.796 6.857 -11.386 1.00 15.00 N flip ATOM 0 H GLN A 461 -3.416 3.566 -6.957 1.00 15.00 H new ATOM 0 HA GLN A 461 -2.815 6.388 -7.293 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -3.467 4.660 -9.082 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.089 4.732 -8.423 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -5.197 7.150 -8.918 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -3.560 7.107 -9.540 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -6.122 7.721 -10.953 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -6.131 6.593 -12.313 1.00 15.00 H new ATOM 537 N GLU A 462 -5.357 5.280 -5.598 1.00 15.00 N ATOM 538 CA GLU A 462 -6.399 5.623 -4.637 1.00 15.00 C ATOM 539 C GLU A 462 -5.788 6.178 -3.353 1.00 15.00 C ATOM 540 O GLU A 462 -6.483 6.755 -2.518 1.00 15.00 O ATOM 541 CB GLU A 462 -7.268 4.399 -4.305 1.00 15.00 C ATOM 542 CG GLU A 462 -6.473 3.158 -3.928 1.00 15.00 C ATOM 543 CD GLU A 462 -6.039 2.342 -5.133 1.00 15.00 C ATOM 544 OE1 GLU A 462 -5.044 2.717 -5.789 1.00 15.00 O ATOM 545 OE2 GLU A 462 -6.679 1.311 -5.411 1.00 15.00 O ATOM 0 H GLU A 462 -5.193 4.277 -5.690 1.00 15.00 H new ATOM 0 HA GLU A 462 -7.028 6.388 -5.093 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -7.936 4.653 -3.482 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -7.896 4.168 -5.166 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -5.591 3.457 -3.362 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -7.077 2.532 -3.271 1.00 15.00 H new ATOM 552 N LEU A 463 -4.487 5.976 -3.195 1.00 15.00 N ATOM 553 CA LEU A 463 -3.772 6.461 -2.026 1.00 15.00 C ATOM 554 C LEU A 463 -2.435 7.054 -2.451 1.00 15.00 C ATOM 555 O LEU A 463 -1.363 6.513 -2.162 1.00 15.00 O ATOM 556 CB LEU A 463 -3.575 5.333 -1.003 1.00 15.00 C ATOM 557 CG LEU A 463 -2.803 5.709 0.266 1.00 15.00 C ATOM 558 CD1 LEU A 463 -3.596 6.698 1.106 1.00 15.00 C ATOM 559 CD2 LEU A 463 -2.467 4.458 1.068 1.00 15.00 C ATOM 0 H LEU A 463 -3.904 5.477 -3.867 1.00 15.00 H new ATOM 0 HA LEU A 463 -4.363 7.241 -1.547 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -4.556 4.958 -0.711 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -3.053 4.511 -1.493 1.00 15.00 H new ATOM 0 HG LEU A 463 -1.870 6.192 -0.025 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -3.029 6.951 2.002 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -3.781 7.602 0.526 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -4.548 6.251 1.393 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.919 4.739 1.967 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -3.388 3.948 1.349 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -1.853 3.791 0.462 1.00 15.00 H new ATOM 571 N LYS A 464 -2.512 8.149 -3.183 1.00 15.00 N ATOM 572 CA LYS A 464 -1.328 8.818 -3.682 1.00 15.00 C ATOM 573 C LYS A 464 -0.987 10.006 -2.795 1.00 15.00 C ATOM 574 O LYS A 464 0.178 10.105 -2.359 1.00 15.00 O ATOM 575 CB LYS A 464 -1.527 9.248 -5.142 1.00 15.00 C ATOM 576 CG LYS A 464 -2.743 10.132 -5.376 1.00 15.00 C ATOM 577 CD LYS A 464 -2.976 10.372 -6.861 1.00 15.00 C ATOM 578 CE LYS A 464 -4.142 11.317 -7.105 1.00 15.00 C ATOM 579 NZ LYS A 464 -3.857 12.684 -6.601 1.00 15.00 N ATOM 580 OXT LYS A 464 -1.894 10.802 -2.491 1.00 15.00 O ATOM 0 H LYS A 464 -3.390 8.596 -3.446 1.00 15.00 H new ATOM 0 HA LYS A 464 -0.489 8.123 -3.655 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -0.636 9.780 -5.476 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -1.617 8.356 -5.762 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -3.625 9.664 -4.939 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -2.604 11.087 -4.869 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -2.073 10.787 -7.308 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -3.169 9.421 -7.357 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -4.358 11.361 -8.173 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -5.034 10.928 -6.615 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -4.577 13.343 -6.960 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -3.877 12.682 -5.561 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -2.917 12.986 -6.928 1.00 15.00 H new TER 594 LYS A 464