USER MOD reduce.3.24.130724 H: found=0, std=0, add=280, rem=0, adj=16 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 170:sc= 0.437 USER MOD Set 1.2: A 450 ASN : amide:sc= 1.3 K(o=1.7,f=0.23) USER MOD Set 2.1: A 449 ASN : amide:sc= -3.17! C(o=-2.3!,f=-8.9!) USER MOD Set 2.2: A 452 THR OG1 : rot -179:sc= 0.894 USER MOD Set 3.1: A 445 THR OG1 : rot 112:sc= 0.00678 USER MOD Set 3.2: A 447 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 27:sc= 1.26 USER MOD Single : A 433 SER OG : rot 44:sc= 0.34 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 160:sc= -0.0805 (180deg=-0.494) USER MOD Single : A 440 THR OG1 : rot 100:sc= 0.616 USER MOD Single : A 444 LYS NZ :NH3+ -118:sc= 1.15 (180deg=-0.906) USER MOD Single : A 446 TYR OH : rot 85:sc= 0.334 USER MOD Single : A 448 TYR OH : rot 180:sc= -0.32 USER MOD Single : A 455 SER OG : rot 180:sc= -0.369 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 459 LYS NZ :NH3+ 155:sc= 1.25 (180deg=0.147) USER MOD Single : A 461 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 464 LYS NZ :NH3+ -170:sc=-0.00602 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 3.355 11.610 7.612 1.00 15.00 N ATOM 2 CA GLY A 428 1.891 11.796 7.490 1.00 15.00 C ATOM 3 C GLY A 428 1.375 11.254 6.179 1.00 15.00 C ATOM 4 O GLY A 428 2.147 10.695 5.401 1.00 15.00 O ATOM 0 HA2 GLY A 428 1.389 11.293 8.316 1.00 15.00 H new ATOM 0 HA3 GLY A 428 1.650 12.856 7.568 1.00 15.00 H new ATOM 10 N ALA A 429 0.074 11.416 5.940 1.00 15.00 N ATOM 11 CA ALA A 429 -0.569 10.919 4.726 1.00 15.00 C ATOM 12 C ALA A 429 -0.491 9.396 4.656 1.00 15.00 C ATOM 13 O ALA A 429 0.384 8.827 4.002 1.00 15.00 O ATOM 14 CB ALA A 429 0.030 11.559 3.477 1.00 15.00 C ATOM 0 H ALA A 429 -0.561 11.893 6.580 1.00 15.00 H new ATOM 0 HA ALA A 429 -1.621 11.202 4.766 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -0.471 11.167 2.592 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -0.104 12.640 3.522 1.00 15.00 H new ATOM 0 HB3 ALA A 429 1.094 11.328 3.424 1.00 15.00 H new ATOM 20 N THR A 430 -1.396 8.748 5.366 1.00 15.00 N ATOM 21 CA THR A 430 -1.437 7.297 5.423 1.00 15.00 C ATOM 22 C THR A 430 -2.843 6.838 5.793 1.00 15.00 C ATOM 23 O THR A 430 -3.381 7.225 6.833 1.00 15.00 O ATOM 24 CB THR A 430 -0.386 6.749 6.425 1.00 15.00 C ATOM 25 OG1 THR A 430 -0.511 5.330 6.585 1.00 15.00 O ATOM 26 CG2 THR A 430 -0.507 7.424 7.785 1.00 15.00 C ATOM 0 H THR A 430 -2.120 9.209 5.917 1.00 15.00 H new ATOM 0 HA THR A 430 -1.186 6.898 4.440 1.00 15.00 H new ATOM 0 HB THR A 430 0.595 6.974 6.008 1.00 15.00 H new ATOM 0 HG1 THR A 430 -0.903 4.943 5.775 1.00 15.00 H new ATOM 0 HG21 THR A 430 0.244 7.016 8.462 1.00 15.00 H new ATOM 0 HG22 THR A 430 -0.351 8.497 7.674 1.00 15.00 H new ATOM 0 HG23 THR A 430 -1.501 7.243 8.194 1.00 15.00 H new ATOM 34 N ALA A 431 -3.450 6.045 4.926 1.00 15.00 N ATOM 35 CA ALA A 431 -4.826 5.624 5.113 1.00 15.00 C ATOM 36 C ALA A 431 -5.065 4.275 4.459 1.00 15.00 C ATOM 37 O ALA A 431 -4.647 4.042 3.323 1.00 15.00 O ATOM 38 CB ALA A 431 -5.784 6.663 4.544 1.00 15.00 C ATOM 0 H ALA A 431 -3.008 5.679 4.083 1.00 15.00 H new ATOM 0 HA ALA A 431 -5.012 5.528 6.183 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -6.811 6.331 4.693 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -5.633 7.615 5.053 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -5.594 6.788 3.478 1.00 15.00 H new ATOM 44 N VAL A 432 -5.737 3.390 5.178 1.00 15.00 N ATOM 45 CA VAL A 432 -6.041 2.066 4.662 1.00 15.00 C ATOM 46 C VAL A 432 -7.258 2.121 3.737 1.00 15.00 C ATOM 47 O VAL A 432 -8.363 1.713 4.108 1.00 15.00 O ATOM 48 CB VAL A 432 -6.287 1.048 5.802 1.00 15.00 C ATOM 49 CG1 VAL A 432 -6.451 -0.364 5.256 1.00 15.00 C ATOM 50 CG2 VAL A 432 -5.152 1.098 6.814 1.00 15.00 C ATOM 0 H VAL A 432 -6.082 3.565 6.122 1.00 15.00 H new ATOM 0 HA VAL A 432 -5.173 1.729 4.095 1.00 15.00 H new ATOM 0 HB VAL A 432 -7.215 1.324 6.302 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -6.622 -1.055 6.081 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -7.301 -0.394 4.575 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -5.547 -0.654 4.721 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -5.341 0.376 7.609 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -4.212 0.855 6.319 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -5.089 2.099 7.241 1.00 15.00 H new ATOM 60 N SER A 433 -7.061 2.676 2.551 1.00 15.00 N ATOM 61 CA SER A 433 -8.109 2.722 1.549 1.00 15.00 C ATOM 62 C SER A 433 -7.901 1.602 0.539 1.00 15.00 C ATOM 63 O SER A 433 -7.156 1.763 -0.430 1.00 15.00 O ATOM 64 CB SER A 433 -8.131 4.087 0.853 1.00 15.00 C ATOM 65 OG SER A 433 -6.841 4.443 0.389 1.00 15.00 O ATOM 0 H SER A 433 -6.181 3.102 2.260 1.00 15.00 H new ATOM 0 HA SER A 433 -9.074 2.581 2.037 1.00 15.00 H new ATOM 0 HB2 SER A 433 -8.828 4.060 0.015 1.00 15.00 H new ATOM 0 HB3 SER A 433 -8.494 4.846 1.546 1.00 15.00 H new ATOM 0 HG SER A 433 -6.423 3.668 -0.042 1.00 15.00 H new ATOM 71 N GLU A 434 -8.498 0.445 0.837 1.00 15.00 N ATOM 72 CA GLU A 434 -8.352 -0.781 0.039 1.00 15.00 C ATOM 73 C GLU A 434 -6.961 -1.381 0.187 1.00 15.00 C ATOM 74 O GLU A 434 -6.782 -2.601 0.086 1.00 15.00 O ATOM 75 CB GLU A 434 -8.658 -0.536 -1.438 1.00 15.00 C ATOM 76 CG GLU A 434 -8.703 -1.802 -2.259 1.00 15.00 C ATOM 77 CD GLU A 434 -9.419 -1.609 -3.571 1.00 15.00 C ATOM 78 OE1 GLU A 434 -10.657 -1.499 -3.559 1.00 15.00 O ATOM 79 OE2 GLU A 434 -8.752 -1.597 -4.622 1.00 15.00 O ATOM 0 H GLU A 434 -9.104 0.329 1.649 1.00 15.00 H new ATOM 0 HA GLU A 434 -9.081 -1.493 0.426 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -9.616 -0.023 -1.523 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -7.901 0.130 -1.852 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -7.686 -2.145 -2.450 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -9.201 -2.585 -1.688 1.00 15.00 H new ATOM 86 N TRP A 435 -5.981 -0.531 0.419 1.00 15.00 N ATOM 87 CA TRP A 435 -4.630 -0.977 0.626 1.00 15.00 C ATOM 88 C TRP A 435 -4.223 -0.759 2.057 1.00 15.00 C ATOM 89 O TRP A 435 -4.666 0.179 2.713 1.00 15.00 O ATOM 90 CB TRP A 435 -3.639 -0.245 -0.257 1.00 15.00 C ATOM 91 CG TRP A 435 -3.958 -0.288 -1.725 1.00 15.00 C ATOM 92 CD1 TRP A 435 -4.973 0.368 -2.367 1.00 15.00 C ATOM 93 CD2 TRP A 435 -3.247 -1.007 -2.741 1.00 15.00 C ATOM 94 NE1 TRP A 435 -4.940 0.092 -3.709 1.00 15.00 N ATOM 95 CE2 TRP A 435 -3.888 -0.743 -3.965 1.00 15.00 C ATOM 96 CE3 TRP A 435 -2.134 -1.850 -2.735 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -3.452 -1.285 -5.169 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -1.702 -2.389 -3.932 1.00 15.00 C ATOM 99 CH2 TRP A 435 -2.359 -2.105 -5.134 1.00 15.00 C ATOM 0 H TRP A 435 -6.103 0.480 0.468 1.00 15.00 H new ATOM 0 HA TRP A 435 -4.613 -2.037 0.372 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -3.590 0.797 0.060 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -2.649 -0.673 -0.101 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -5.696 1.010 -1.886 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -5.594 0.451 -4.404 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.620 -2.077 -1.812 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -3.958 -1.066 -6.098 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 -0.841 -3.041 -3.940 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -1.995 -2.542 -6.052 1.00 15.00 H new ATOM 110 N THR A 436 -3.352 -1.614 2.502 1.00 15.00 N ATOM 111 CA THR A 436 -2.832 -1.584 3.836 1.00 15.00 C ATOM 112 C THR A 436 -1.318 -1.414 3.783 1.00 15.00 C ATOM 113 O THR A 436 -0.642 -2.122 3.034 1.00 15.00 O ATOM 114 CB THR A 436 -3.177 -2.907 4.501 1.00 15.00 C ATOM 115 OG1 THR A 436 -4.593 -3.137 4.420 1.00 15.00 O ATOM 116 CG2 THR A 436 -2.729 -2.944 5.951 1.00 15.00 C ATOM 0 H THR A 436 -2.974 -2.371 1.933 1.00 15.00 H new ATOM 0 HA THR A 436 -3.261 -0.755 4.399 1.00 15.00 H new ATOM 0 HB THR A 436 -2.644 -3.696 3.970 1.00 15.00 H new ATOM 0 HG1 THR A 436 -4.792 -4.054 4.701 1.00 15.00 H new ATOM 0 HG21 THR A 436 -2.994 -3.906 6.389 1.00 15.00 H new ATOM 0 HG22 THR A 436 -1.649 -2.808 6.002 1.00 15.00 H new ATOM 0 HG23 THR A 436 -3.222 -2.145 6.505 1.00 15.00 H new ATOM 124 N GLU A 437 -0.784 -0.483 4.552 1.00 15.00 N ATOM 125 CA GLU A 437 0.642 -0.209 4.505 1.00 15.00 C ATOM 126 C GLU A 437 1.326 -0.553 5.829 1.00 15.00 C ATOM 127 O GLU A 437 0.871 -0.178 6.910 1.00 15.00 O ATOM 128 CB GLU A 437 0.910 1.254 4.118 1.00 15.00 C ATOM 129 CG GLU A 437 0.574 2.282 5.185 1.00 15.00 C ATOM 130 CD GLU A 437 -0.916 2.459 5.425 1.00 15.00 C ATOM 131 OE1 GLU A 437 -1.521 1.608 6.114 1.00 15.00 O ATOM 132 OE2 GLU A 437 -1.476 3.474 4.962 1.00 15.00 O ATOM 0 H GLU A 437 -1.309 0.092 5.211 1.00 15.00 H new ATOM 0 HA GLU A 437 1.071 -0.850 3.735 1.00 15.00 H new ATOM 0 HB2 GLU A 437 1.964 1.356 3.858 1.00 15.00 H new ATOM 0 HB3 GLU A 437 0.336 1.486 3.221 1.00 15.00 H new ATOM 0 HG2 GLU A 437 1.050 1.988 6.121 1.00 15.00 H new ATOM 0 HG3 GLU A 437 1.002 3.242 4.897 1.00 15.00 H new ATOM 139 N TYR A 438 2.427 -1.275 5.723 1.00 15.00 N ATOM 140 CA TYR A 438 3.263 -1.608 6.871 1.00 15.00 C ATOM 141 C TYR A 438 4.701 -1.244 6.559 1.00 15.00 C ATOM 142 O TYR A 438 5.186 -1.547 5.468 1.00 15.00 O ATOM 143 CB TYR A 438 3.198 -3.105 7.186 1.00 15.00 C ATOM 144 CG TYR A 438 1.830 -3.626 7.556 1.00 15.00 C ATOM 145 CD1 TYR A 438 1.300 -3.404 8.820 1.00 15.00 C ATOM 146 CD2 TYR A 438 1.080 -4.364 6.649 1.00 15.00 C ATOM 147 CE1 TYR A 438 0.061 -3.903 9.170 1.00 15.00 C ATOM 148 CE2 TYR A 438 -0.161 -4.862 6.988 1.00 15.00 C ATOM 149 CZ TYR A 438 -0.666 -4.629 8.251 1.00 15.00 C ATOM 150 OH TYR A 438 -1.901 -5.128 8.599 1.00 15.00 O ATOM 0 H TYR A 438 2.770 -1.649 4.839 1.00 15.00 H new ATOM 0 HA TYR A 438 2.898 -1.050 7.733 1.00 15.00 H new ATOM 0 HB2 TYR A 438 3.557 -3.658 6.318 1.00 15.00 H new ATOM 0 HB3 TYR A 438 3.884 -3.317 8.006 1.00 15.00 H new ATOM 0 HD1 TYR A 438 1.866 -2.832 9.541 1.00 15.00 H new ATOM 0 HD2 TYR A 438 1.475 -4.551 5.662 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -0.336 -3.725 10.158 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -0.733 -5.430 6.270 1.00 15.00 H new ATOM 0 HH TYR A 438 -2.283 -5.615 7.839 1.00 15.00 H new ATOM 160 N LYS A 439 5.387 -0.617 7.503 1.00 15.00 N ATOM 161 CA LYS A 439 6.792 -0.287 7.312 1.00 15.00 C ATOM 162 C LYS A 439 7.647 -1.445 7.812 1.00 15.00 C ATOM 163 O LYS A 439 7.643 -1.781 8.998 1.00 15.00 O ATOM 164 CB LYS A 439 7.167 1.024 8.027 1.00 15.00 C ATOM 165 CG LYS A 439 8.524 1.598 7.607 1.00 15.00 C ATOM 166 CD LYS A 439 8.451 2.441 6.324 1.00 15.00 C ATOM 167 CE LYS A 439 7.826 3.810 6.551 1.00 15.00 C ATOM 168 NZ LYS A 439 8.587 4.614 7.546 1.00 15.00 N ATOM 0 H LYS A 439 4.999 -0.329 8.401 1.00 15.00 H new ATOM 0 HA LYS A 439 6.977 -0.132 6.249 1.00 15.00 H new ATOM 0 HB2 LYS A 439 6.394 1.767 7.831 1.00 15.00 H new ATOM 0 HB3 LYS A 439 7.175 0.849 9.103 1.00 15.00 H new ATOM 0 HG2 LYS A 439 8.918 2.213 8.416 1.00 15.00 H new ATOM 0 HG3 LYS A 439 9.227 0.779 7.457 1.00 15.00 H new ATOM 0 HD2 LYS A 439 9.456 2.568 5.921 1.00 15.00 H new ATOM 0 HD3 LYS A 439 7.872 1.903 5.574 1.00 15.00 H new ATOM 0 HE2 LYS A 439 7.783 4.350 5.605 1.00 15.00 H new ATOM 0 HE3 LYS A 439 6.799 3.687 6.894 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 8.354 5.621 7.430 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 8.333 4.308 8.507 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 9.607 4.476 7.397 1.00 15.00 H new ATOM 182 N THR A 440 8.359 -2.049 6.883 1.00 15.00 N ATOM 183 CA THR A 440 9.172 -3.220 7.137 1.00 15.00 C ATOM 184 C THR A 440 10.581 -2.810 7.539 1.00 15.00 C ATOM 185 O THR A 440 11.029 -1.723 7.184 1.00 15.00 O ATOM 186 CB THR A 440 9.214 -4.143 5.903 1.00 15.00 C ATOM 187 OG1 THR A 440 9.253 -3.363 4.702 1.00 15.00 O ATOM 188 CG2 THR A 440 8.000 -5.057 5.871 1.00 15.00 C ATOM 0 H THR A 440 8.389 -1.734 5.913 1.00 15.00 H new ATOM 0 HA THR A 440 8.719 -3.774 7.959 1.00 15.00 H new ATOM 0 HB THR A 440 10.114 -4.754 5.969 1.00 15.00 H new ATOM 0 HG1 THR A 440 10.175 -3.313 4.374 1.00 15.00 H new ATOM 0 HG21 THR A 440 8.051 -5.699 4.992 1.00 15.00 H new ATOM 0 HG22 THR A 440 7.985 -5.673 6.770 1.00 15.00 H new ATOM 0 HG23 THR A 440 7.092 -4.455 5.828 1.00 15.00 H new ATOM 196 N ALA A 441 11.225 -3.652 8.349 1.00 15.00 N ATOM 197 CA ALA A 441 12.545 -3.375 8.939 1.00 15.00 C ATOM 198 C ALA A 441 13.582 -2.817 7.948 1.00 15.00 C ATOM 199 O ALA A 441 14.589 -2.249 8.369 1.00 15.00 O ATOM 200 CB ALA A 441 13.088 -4.638 9.593 1.00 15.00 C ATOM 0 H ALA A 441 10.843 -4.558 8.620 1.00 15.00 H new ATOM 0 HA ALA A 441 12.384 -2.589 9.677 1.00 15.00 H new ATOM 0 HB1 ALA A 441 14.065 -4.431 10.029 1.00 15.00 H new ATOM 0 HB2 ALA A 441 12.404 -4.966 10.376 1.00 15.00 H new ATOM 0 HB3 ALA A 441 13.185 -5.423 8.843 1.00 15.00 H new ATOM 206 N ASP A 442 13.353 -2.969 6.642 1.00 15.00 N ATOM 207 CA ASP A 442 14.252 -2.394 5.636 1.00 15.00 C ATOM 208 C ASP A 442 14.021 -0.883 5.524 1.00 15.00 C ATOM 209 O ASP A 442 14.674 -0.188 4.744 1.00 15.00 O ATOM 210 CB ASP A 442 14.054 -3.057 4.272 1.00 15.00 C ATOM 211 CG ASP A 442 12.799 -2.591 3.570 1.00 15.00 C ATOM 212 OD1 ASP A 442 11.701 -3.020 3.972 1.00 15.00 O ATOM 213 OD2 ASP A 442 12.912 -1.807 2.602 1.00 15.00 O ATOM 0 H ASP A 442 12.559 -3.481 6.257 1.00 15.00 H new ATOM 0 HA ASP A 442 15.277 -2.578 5.956 1.00 15.00 H new ATOM 0 HB2 ASP A 442 14.917 -2.845 3.641 1.00 15.00 H new ATOM 0 HB3 ASP A 442 14.012 -4.138 4.402 1.00 15.00 H new ATOM 218 N GLY A 443 13.079 -0.394 6.318 1.00 15.00 N ATOM 219 CA GLY A 443 12.858 1.026 6.461 1.00 15.00 C ATOM 220 C GLY A 443 11.859 1.611 5.481 1.00 15.00 C ATOM 221 O GLY A 443 11.955 2.794 5.151 1.00 15.00 O ATOM 0 H GLY A 443 12.452 -0.973 6.876 1.00 15.00 H new ATOM 0 HA2 GLY A 443 12.512 1.226 7.475 1.00 15.00 H new ATOM 0 HA3 GLY A 443 13.810 1.543 6.341 1.00 15.00 H new ATOM 225 N LYS A 444 10.892 0.817 5.002 1.00 15.00 N ATOM 226 CA LYS A 444 9.809 1.395 4.198 1.00 15.00 C ATOM 227 C LYS A 444 8.505 0.580 4.260 1.00 15.00 C ATOM 228 O LYS A 444 8.484 -0.564 4.696 1.00 15.00 O ATOM 229 CB LYS A 444 10.067 1.400 2.779 1.00 15.00 C ATOM 230 CG LYS A 444 11.512 1.499 2.321 1.00 15.00 C ATOM 231 CD LYS A 444 11.622 1.319 0.815 1.00 15.00 C ATOM 232 CE LYS A 444 13.071 1.251 0.366 1.00 15.00 C ATOM 233 NZ LYS A 444 13.766 0.047 0.896 1.00 15.00 N ATOM 0 H LYS A 444 10.836 -0.191 5.150 1.00 15.00 H new ATOM 0 HA LYS A 444 9.733 2.394 4.628 1.00 15.00 H new ATOM 0 HB2 LYS A 444 9.645 0.487 2.359 1.00 15.00 H new ATOM 0 HB3 LYS A 444 9.519 2.235 2.342 1.00 15.00 H new ATOM 0 HG2 LYS A 444 11.921 2.468 2.605 1.00 15.00 H new ATOM 0 HG3 LYS A 444 12.110 0.740 2.826 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.105 0.407 0.518 1.00 15.00 H new ATOM 0 HD3 LYS A 444 11.123 2.147 0.311 1.00 15.00 H new ATOM 0 HE2 LYS A 444 13.112 1.243 -0.723 1.00 15.00 H new ATOM 0 HE3 LYS A 444 13.595 2.147 0.698 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 14.553 0.342 1.508 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 13.096 -0.527 1.446 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 14.136 -0.517 0.104 1.00 15.00 H new ATOM 247 N THR A 445 7.430 1.205 3.762 1.00 15.00 N ATOM 248 CA THR A 445 6.105 0.601 3.749 1.00 15.00 C ATOM 249 C THR A 445 5.793 -0.059 2.418 1.00 15.00 C ATOM 250 O THR A 445 6.114 0.474 1.354 1.00 15.00 O ATOM 251 CB THR A 445 4.990 1.631 4.022 1.00 15.00 C ATOM 252 OG1 THR A 445 5.138 2.760 3.149 1.00 15.00 O ATOM 253 CG2 THR A 445 4.994 2.099 5.464 1.00 15.00 C ATOM 0 H THR A 445 7.461 2.142 3.359 1.00 15.00 H new ATOM 0 HA THR A 445 6.126 -0.144 4.544 1.00 15.00 H new ATOM 0 HB THR A 445 4.036 1.139 3.831 1.00 15.00 H new ATOM 0 HG1 THR A 445 4.395 2.779 2.510 1.00 15.00 H new ATOM 0 HG21 THR A 445 4.193 2.823 5.614 1.00 15.00 H new ATOM 0 HG22 THR A 445 4.839 1.245 6.124 1.00 15.00 H new ATOM 0 HG23 THR A 445 5.952 2.565 5.693 1.00 15.00 H new ATOM 261 N TYR A 446 5.139 -1.200 2.494 1.00 15.00 N ATOM 262 CA TYR A 446 4.645 -1.884 1.313 1.00 15.00 C ATOM 263 C TYR A 446 3.122 -1.844 1.340 1.00 15.00 C ATOM 264 O TYR A 446 2.518 -1.931 2.413 1.00 15.00 O ATOM 265 CB TYR A 446 5.161 -3.329 1.262 1.00 15.00 C ATOM 266 CG TYR A 446 4.581 -4.243 2.325 1.00 15.00 C ATOM 267 CD1 TYR A 446 5.151 -4.322 3.589 1.00 15.00 C ATOM 268 CD2 TYR A 446 3.467 -5.030 2.059 1.00 15.00 C ATOM 269 CE1 TYR A 446 4.628 -5.161 4.556 1.00 15.00 C ATOM 270 CE2 TYR A 446 2.938 -5.869 3.022 1.00 15.00 C ATOM 271 CZ TYR A 446 3.522 -5.931 4.269 1.00 15.00 C ATOM 272 OH TYR A 446 2.998 -6.765 5.231 1.00 15.00 O ATOM 0 H TYR A 446 4.935 -1.679 3.371 1.00 15.00 H new ATOM 0 HA TYR A 446 5.008 -1.385 0.415 1.00 15.00 H new ATOM 0 HB2 TYR A 446 4.937 -3.747 0.280 1.00 15.00 H new ATOM 0 HB3 TYR A 446 6.246 -3.318 1.364 1.00 15.00 H new ATOM 0 HD1 TYR A 446 6.016 -3.719 3.820 1.00 15.00 H new ATOM 0 HD2 TYR A 446 3.007 -4.985 1.083 1.00 15.00 H new ATOM 0 HE1 TYR A 446 5.085 -5.213 5.533 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.071 -6.473 2.798 1.00 15.00 H new ATOM 0 HH TYR A 446 2.377 -6.261 5.798 1.00 15.00 H new ATOM 282 N TYR A 447 2.506 -1.719 0.179 1.00 15.00 N ATOM 283 CA TYR A 447 1.065 -1.528 0.105 1.00 15.00 C ATOM 284 C TYR A 447 0.363 -2.794 -0.366 1.00 15.00 C ATOM 285 O TYR A 447 0.609 -3.286 -1.464 1.00 15.00 O ATOM 286 CB TYR A 447 0.749 -0.344 -0.809 1.00 15.00 C ATOM 287 CG TYR A 447 1.375 0.943 -0.324 1.00 15.00 C ATOM 288 CD1 TYR A 447 0.857 1.609 0.776 1.00 15.00 C ATOM 289 CD2 TYR A 447 2.494 1.479 -0.948 1.00 15.00 C ATOM 290 CE1 TYR A 447 1.435 2.775 1.244 1.00 15.00 C ATOM 291 CE2 TYR A 447 3.078 2.644 -0.486 1.00 15.00 C ATOM 292 CZ TYR A 447 2.543 3.287 0.610 1.00 15.00 C ATOM 293 OH TYR A 447 3.121 4.447 1.073 1.00 15.00 O ATOM 0 H TYR A 447 2.978 -1.746 -0.725 1.00 15.00 H new ATOM 0 HA TYR A 447 0.689 -1.308 1.104 1.00 15.00 H new ATOM 0 HB2 TYR A 447 1.105 -0.561 -1.816 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.332 -0.217 -0.874 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -0.013 1.210 1.276 1.00 15.00 H new ATOM 0 HD2 TYR A 447 2.915 0.978 -1.807 1.00 15.00 H new ATOM 0 HE1 TYR A 447 1.019 3.281 2.103 1.00 15.00 H new ATOM 0 HE2 TYR A 447 3.949 3.048 -0.981 1.00 15.00 H new ATOM 0 HH TYR A 447 3.894 4.672 0.515 1.00 15.00 H new ATOM 303 N TYR A 448 -0.509 -3.313 0.486 1.00 15.00 N ATOM 304 CA TYR A 448 -1.219 -4.556 0.218 1.00 15.00 C ATOM 305 C TYR A 448 -2.684 -4.293 -0.120 1.00 15.00 C ATOM 306 O TYR A 448 -3.417 -3.719 0.674 1.00 15.00 O ATOM 307 CB TYR A 448 -1.105 -5.465 1.445 1.00 15.00 C ATOM 308 CG TYR A 448 -1.909 -6.744 1.373 1.00 15.00 C ATOM 309 CD1 TYR A 448 -1.388 -7.877 0.767 1.00 15.00 C ATOM 310 CD2 TYR A 448 -3.179 -6.823 1.935 1.00 15.00 C ATOM 311 CE1 TYR A 448 -2.108 -9.051 0.717 1.00 15.00 C ATOM 312 CE2 TYR A 448 -3.904 -7.997 1.891 1.00 15.00 C ATOM 313 CZ TYR A 448 -3.364 -9.107 1.280 1.00 15.00 C ATOM 314 OH TYR A 448 -4.079 -10.281 1.237 1.00 15.00 O ATOM 0 H TYR A 448 -0.744 -2.885 1.382 1.00 15.00 H new ATOM 0 HA TYR A 448 -0.769 -5.045 -0.646 1.00 15.00 H new ATOM 0 HB2 TYR A 448 -0.056 -5.721 1.592 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -1.422 -4.904 2.324 1.00 15.00 H new ATOM 0 HD1 TYR A 448 -0.402 -7.839 0.327 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -3.604 -5.953 2.413 1.00 15.00 H new ATOM 0 HE1 TYR A 448 -1.689 -9.924 0.238 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -4.888 -8.045 2.333 1.00 15.00 H new ATOM 0 HH TYR A 448 -4.944 -10.153 1.679 1.00 15.00 H new ATOM 324 N ASN A 449 -3.106 -4.724 -1.296 1.00 15.00 N ATOM 325 CA ASN A 449 -4.497 -4.559 -1.715 1.00 15.00 C ATOM 326 C ASN A 449 -5.309 -5.766 -1.284 1.00 15.00 C ATOM 327 O ASN A 449 -4.981 -6.902 -1.640 1.00 15.00 O ATOM 328 CB ASN A 449 -4.606 -4.382 -3.230 1.00 15.00 C ATOM 329 CG ASN A 449 -6.027 -4.093 -3.689 1.00 15.00 C ATOM 330 OD1 ASN A 449 -6.799 -5.011 -3.958 1.00 15.00 O ATOM 331 ND2 ASN A 449 -6.396 -2.821 -3.761 1.00 15.00 N ATOM 0 H ASN A 449 -2.511 -5.191 -1.980 1.00 15.00 H new ATOM 0 HA ASN A 449 -4.888 -3.660 -1.239 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -3.955 -3.566 -3.544 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -4.246 -5.285 -3.724 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -7.345 -2.581 -4.046 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -5.730 -2.083 -3.531 1.00 15.00 H new ATOM 338 N ASN A 450 -6.378 -5.505 -0.548 1.00 15.00 N ATOM 339 CA ASN A 450 -7.170 -6.556 0.089 1.00 15.00 C ATOM 340 C ASN A 450 -8.202 -7.171 -0.858 1.00 15.00 C ATOM 341 O ASN A 450 -9.042 -7.958 -0.426 1.00 15.00 O ATOM 342 CB ASN A 450 -7.888 -5.997 1.322 1.00 15.00 C ATOM 343 CG ASN A 450 -6.938 -5.550 2.422 1.00 15.00 C ATOM 344 OD1 ASN A 450 -6.570 -6.334 3.297 1.00 15.00 O ATOM 345 ND2 ASN A 450 -6.538 -4.286 2.386 1.00 15.00 N ATOM 0 H ASN A 450 -6.724 -4.562 -0.373 1.00 15.00 H new ATOM 0 HA ASN A 450 -6.475 -7.344 0.378 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -8.507 -5.152 1.021 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -8.559 -6.758 1.719 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -5.902 -3.932 3.101 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -6.866 -3.668 1.644 1.00 15.00 H new ATOM 352 N ARG A 451 -8.152 -6.829 -2.140 1.00 15.00 N ATOM 353 CA ARG A 451 -9.057 -7.442 -3.112 1.00 15.00 C ATOM 354 C ARG A 451 -8.305 -8.352 -4.076 1.00 15.00 C ATOM 355 O ARG A 451 -8.912 -9.177 -4.764 1.00 15.00 O ATOM 356 CB ARG A 451 -9.830 -6.393 -3.913 1.00 15.00 C ATOM 357 CG ARG A 451 -10.974 -5.739 -3.153 1.00 15.00 C ATOM 358 CD ARG A 451 -11.861 -4.933 -4.092 1.00 15.00 C ATOM 359 NE ARG A 451 -11.118 -3.878 -4.774 1.00 15.00 N ATOM 360 CZ ARG A 451 -10.969 -3.792 -6.095 1.00 15.00 C ATOM 361 NH1 ARG A 451 -11.614 -4.620 -6.905 1.00 15.00 N ATOM 362 NH2 ARG A 451 -10.192 -2.846 -6.603 1.00 15.00 N ATOM 0 H ARG A 451 -7.506 -6.142 -2.529 1.00 15.00 H new ATOM 0 HA ARG A 451 -9.767 -8.036 -2.537 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -9.136 -5.618 -4.238 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -10.229 -6.862 -4.813 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -11.568 -6.504 -2.653 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -10.574 -5.088 -2.376 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -12.306 -5.599 -4.831 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -12.681 -4.491 -3.526 1.00 15.00 H new ATOM 0 HE ARG A 451 -10.683 -3.156 -4.199 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -12.233 -5.333 -6.518 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -11.492 -4.544 -7.915 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -9.714 -2.191 -5.984 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -10.072 -2.773 -7.613 1.00 15.00 H new ATOM 376 N THR A 452 -6.998 -8.175 -4.155 1.00 15.00 N ATOM 377 CA THR A 452 -6.173 -8.984 -5.040 1.00 15.00 C ATOM 378 C THR A 452 -5.057 -9.680 -4.271 1.00 15.00 C ATOM 379 O THR A 452 -4.302 -10.475 -4.839 1.00 15.00 O ATOM 380 CB THR A 452 -5.567 -8.115 -6.153 1.00 15.00 C ATOM 381 OG1 THR A 452 -5.126 -6.874 -5.596 1.00 15.00 O ATOM 382 CG2 THR A 452 -6.580 -7.853 -7.258 1.00 15.00 C ATOM 0 H THR A 452 -6.483 -7.478 -3.617 1.00 15.00 H new ATOM 0 HA THR A 452 -6.814 -9.745 -5.485 1.00 15.00 H new ATOM 0 HB THR A 452 -4.722 -8.648 -6.589 1.00 15.00 H new ATOM 0 HG1 THR A 452 -4.746 -6.314 -6.305 1.00 15.00 H new ATOM 0 HG21 THR A 452 -6.123 -7.236 -8.032 1.00 15.00 H new ATOM 0 HG22 THR A 452 -6.899 -8.801 -7.691 1.00 15.00 H new ATOM 0 HG23 THR A 452 -7.445 -7.334 -6.844 1.00 15.00 H new ATOM 390 N GLU A 453 -4.973 -9.375 -2.975 1.00 15.00 N ATOM 391 CA GLU A 453 -3.964 -9.950 -2.087 1.00 15.00 C ATOM 392 C GLU A 453 -2.556 -9.590 -2.555 1.00 15.00 C ATOM 393 O GLU A 453 -1.607 -10.344 -2.339 1.00 15.00 O ATOM 394 CB GLU A 453 -4.107 -11.476 -1.999 1.00 15.00 C ATOM 395 CG GLU A 453 -5.375 -11.963 -1.308 1.00 15.00 C ATOM 396 CD GLU A 453 -6.637 -11.691 -2.098 1.00 15.00 C ATOM 397 OE1 GLU A 453 -6.930 -12.453 -3.043 1.00 15.00 O ATOM 398 OE2 GLU A 453 -7.345 -10.719 -1.776 1.00 15.00 O ATOM 0 H GLU A 453 -5.604 -8.721 -2.512 1.00 15.00 H new ATOM 0 HA GLU A 453 -4.125 -9.528 -1.095 1.00 15.00 H new ATOM 0 HB2 GLU A 453 -4.080 -11.888 -3.008 1.00 15.00 H new ATOM 0 HB3 GLU A 453 -3.244 -11.877 -1.467 1.00 15.00 H new ATOM 0 HG2 GLU A 453 -5.292 -13.035 -1.129 1.00 15.00 H new ATOM 0 HG3 GLU A 453 -5.455 -11.482 -0.333 1.00 15.00 H new ATOM 405 N GLU A 454 -2.405 -8.408 -3.136 1.00 15.00 N ATOM 406 CA GLU A 454 -1.130 -8.038 -3.736 1.00 15.00 C ATOM 407 C GLU A 454 -0.366 -7.050 -2.860 1.00 15.00 C ATOM 408 O GLU A 454 -0.908 -6.035 -2.427 1.00 15.00 O ATOM 409 CB GLU A 454 -1.344 -7.454 -5.135 1.00 15.00 C ATOM 410 CG GLU A 454 -2.070 -6.121 -5.154 1.00 15.00 C ATOM 411 CD GLU A 454 -2.267 -5.589 -6.555 1.00 15.00 C ATOM 412 OE1 GLU A 454 -1.265 -5.245 -7.213 1.00 15.00 O ATOM 413 OE2 GLU A 454 -3.425 -5.514 -7.010 1.00 15.00 O ATOM 0 H GLU A 454 -3.135 -7.699 -3.205 1.00 15.00 H new ATOM 0 HA GLU A 454 -0.529 -8.944 -3.820 1.00 15.00 H new ATOM 0 HB2 GLU A 454 -0.374 -7.332 -5.617 1.00 15.00 H new ATOM 0 HB3 GLU A 454 -1.909 -8.170 -5.732 1.00 15.00 H new ATOM 0 HG2 GLU A 454 -3.041 -6.233 -4.671 1.00 15.00 H new ATOM 0 HG3 GLU A 454 -1.505 -5.395 -4.569 1.00 15.00 H new ATOM 420 N SER A 455 0.893 -7.363 -2.593 1.00 15.00 N ATOM 421 CA SER A 455 1.774 -6.445 -1.886 1.00 15.00 C ATOM 422 C SER A 455 2.723 -5.778 -2.876 1.00 15.00 C ATOM 423 O SER A 455 3.597 -6.433 -3.450 1.00 15.00 O ATOM 424 CB SER A 455 2.576 -7.182 -0.812 1.00 15.00 C ATOM 425 OG SER A 455 1.744 -8.034 -0.040 1.00 15.00 O ATOM 0 H SER A 455 1.328 -8.247 -2.856 1.00 15.00 H new ATOM 0 HA SER A 455 1.164 -5.684 -1.398 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.364 -7.769 -1.283 1.00 15.00 H new ATOM 0 HB3 SER A 455 3.064 -6.458 -0.159 1.00 15.00 H new ATOM 0 HG SER A 455 2.284 -8.493 0.637 1.00 15.00 H new ATOM 431 N THR A 456 2.541 -4.491 -3.091 1.00 15.00 N ATOM 432 CA THR A 456 3.346 -3.761 -4.046 1.00 15.00 C ATOM 433 C THR A 456 4.117 -2.645 -3.360 1.00 15.00 C ATOM 434 O THR A 456 3.687 -2.117 -2.328 1.00 15.00 O ATOM 435 CB THR A 456 2.485 -3.172 -5.182 1.00 15.00 C ATOM 436 OG1 THR A 456 3.320 -2.674 -6.234 1.00 15.00 O ATOM 437 CG2 THR A 456 1.597 -2.048 -4.673 1.00 15.00 C ATOM 0 H THR A 456 1.838 -3.927 -2.613 1.00 15.00 H new ATOM 0 HA THR A 456 4.050 -4.470 -4.481 1.00 15.00 H new ATOM 0 HB THR A 456 1.852 -3.973 -5.565 1.00 15.00 H new ATOM 0 HG1 THR A 456 2.760 -2.305 -6.949 1.00 15.00 H new ATOM 0 HG21 THR A 456 1.002 -1.653 -5.497 1.00 15.00 H new ATOM 0 HG22 THR A 456 0.934 -2.431 -3.897 1.00 15.00 H new ATOM 0 HG23 THR A 456 2.217 -1.253 -4.260 1.00 15.00 H new ATOM 445 N TRP A 457 5.276 -2.322 -3.903 1.00 15.00 N ATOM 446 CA TRP A 457 6.046 -1.197 -3.409 1.00 15.00 C ATOM 447 C TRP A 457 5.742 0.055 -4.222 1.00 15.00 C ATOM 448 O TRP A 457 6.353 1.108 -4.024 1.00 15.00 O ATOM 449 CB TRP A 457 7.541 -1.506 -3.424 1.00 15.00 C ATOM 450 CG TRP A 457 7.911 -2.607 -2.481 1.00 15.00 C ATOM 451 CD1 TRP A 457 7.968 -3.946 -2.743 1.00 15.00 C ATOM 452 CD2 TRP A 457 8.182 -2.457 -1.091 1.00 15.00 C ATOM 453 NE1 TRP A 457 8.328 -4.631 -1.604 1.00 15.00 N ATOM 454 CE2 TRP A 457 8.454 -3.735 -0.571 1.00 15.00 C ATOM 455 CE3 TRP A 457 8.238 -1.357 -0.240 1.00 15.00 C ATOM 456 CZ2 TRP A 457 8.780 -3.934 0.771 1.00 15.00 C ATOM 457 CZ3 TRP A 457 8.551 -1.560 1.084 1.00 15.00 C ATOM 458 CH2 TRP A 457 8.818 -2.829 1.581 1.00 15.00 C ATOM 0 H TRP A 457 5.703 -2.821 -4.683 1.00 15.00 H new ATOM 0 HA TRP A 457 5.755 -1.014 -2.375 1.00 15.00 H new ATOM 0 HB2 TRP A 457 7.841 -1.782 -4.435 1.00 15.00 H new ATOM 0 HB3 TRP A 457 8.097 -0.606 -3.162 1.00 15.00 H new ATOM 0 HD1 TRP A 457 7.761 -4.400 -3.701 1.00 15.00 H new ATOM 0 HE1 TRP A 457 8.477 -5.638 -1.538 1.00 15.00 H new ATOM 0 HE3 TRP A 457 8.039 -0.363 -0.612 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 8.994 -4.920 1.156 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 8.590 -0.713 1.753 1.00 15.00 H new ATOM 0 HH2 TRP A 457 9.060 -2.948 2.627 1.00 15.00 H new ATOM 469 N GLU A 458 4.785 -0.064 -5.131 1.00 15.00 N ATOM 470 CA GLU A 458 4.298 1.076 -5.886 1.00 15.00 C ATOM 471 C GLU A 458 3.230 1.803 -5.073 1.00 15.00 C ATOM 472 O GLU A 458 2.312 1.177 -4.542 1.00 15.00 O ATOM 473 CB GLU A 458 3.728 0.613 -7.231 1.00 15.00 C ATOM 474 CG GLU A 458 3.235 1.751 -8.113 1.00 15.00 C ATOM 475 CD GLU A 458 4.323 2.758 -8.425 1.00 15.00 C ATOM 476 OE1 GLU A 458 4.539 3.676 -7.609 1.00 15.00 O ATOM 477 OE2 GLU A 458 4.969 2.634 -9.488 1.00 15.00 O ATOM 0 H GLU A 458 4.329 -0.946 -5.363 1.00 15.00 H new ATOM 0 HA GLU A 458 5.123 1.761 -6.082 1.00 15.00 H new ATOM 0 HB2 GLU A 458 4.496 0.056 -7.768 1.00 15.00 H new ATOM 0 HB3 GLU A 458 2.903 -0.076 -7.048 1.00 15.00 H new ATOM 0 HG2 GLU A 458 2.846 1.341 -9.045 1.00 15.00 H new ATOM 0 HG3 GLU A 458 2.407 2.258 -7.617 1.00 15.00 H new ATOM 484 N LYS A 459 3.358 3.118 -4.971 1.00 15.00 N ATOM 485 CA LYS A 459 2.412 3.917 -4.210 1.00 15.00 C ATOM 486 C LYS A 459 1.055 3.932 -4.918 1.00 15.00 C ATOM 487 O LYS A 459 0.964 4.307 -6.090 1.00 15.00 O ATOM 488 CB LYS A 459 2.945 5.343 -4.039 1.00 15.00 C ATOM 489 CG LYS A 459 2.091 6.208 -3.128 1.00 15.00 C ATOM 490 CD LYS A 459 2.622 7.630 -3.042 1.00 15.00 C ATOM 491 CE LYS A 459 1.703 8.513 -2.215 1.00 15.00 C ATOM 492 NZ LYS A 459 2.062 9.952 -2.322 1.00 15.00 N ATOM 0 H LYS A 459 4.109 3.654 -5.407 1.00 15.00 H new ATOM 0 HA LYS A 459 2.285 3.475 -3.222 1.00 15.00 H new ATOM 0 HB2 LYS A 459 3.958 5.297 -3.638 1.00 15.00 H new ATOM 0 HB3 LYS A 459 3.011 5.817 -5.018 1.00 15.00 H new ATOM 0 HG2 LYS A 459 1.066 6.224 -3.498 1.00 15.00 H new ATOM 0 HG3 LYS A 459 2.063 5.769 -2.131 1.00 15.00 H new ATOM 0 HD2 LYS A 459 3.618 7.622 -2.599 1.00 15.00 H new ATOM 0 HD3 LYS A 459 2.722 8.044 -4.045 1.00 15.00 H new ATOM 0 HE2 LYS A 459 0.673 8.372 -2.544 1.00 15.00 H new ATOM 0 HE3 LYS A 459 1.749 8.205 -1.170 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 1.224 10.535 -2.123 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 2.810 10.175 -1.634 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 2.404 10.154 -3.283 1.00 15.00 H new ATOM 506 N PRO A 460 -0.012 3.527 -4.213 1.00 15.00 N ATOM 507 CA PRO A 460 -1.354 3.418 -4.795 1.00 15.00 C ATOM 508 C PRO A 460 -1.906 4.774 -5.228 1.00 15.00 C ATOM 509 O PRO A 460 -1.670 5.796 -4.583 1.00 15.00 O ATOM 510 CB PRO A 460 -2.203 2.829 -3.660 1.00 15.00 C ATOM 511 CG PRO A 460 -1.230 2.307 -2.659 1.00 15.00 C ATOM 512 CD PRO A 460 0.000 3.154 -2.794 1.00 15.00 C ATOM 0 HA PRO A 460 -1.354 2.806 -5.697 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -2.849 3.588 -3.219 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.851 2.034 -4.028 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.638 2.370 -1.650 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -1.003 1.258 -2.847 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -0.039 4.030 -2.146 1.00 15.00 H new ATOM 0 HD3 PRO A 460 0.902 2.602 -2.529 1.00 15.00 H new ATOM 520 N GLN A 461 -2.675 4.759 -6.306 1.00 15.00 N ATOM 521 CA GLN A 461 -3.245 5.972 -6.878 1.00 15.00 C ATOM 522 C GLN A 461 -4.334 6.518 -5.969 1.00 15.00 C ATOM 523 O GLN A 461 -4.636 7.709 -5.969 1.00 15.00 O ATOM 524 CB GLN A 461 -3.830 5.656 -8.245 1.00 15.00 C ATOM 525 CG GLN A 461 -4.054 6.874 -9.122 1.00 15.00 C ATOM 526 CD GLN A 461 -4.626 6.502 -10.472 1.00 15.00 C ATOM 527 OE1 GLN A 461 -5.839 6.414 -10.639 1.00 15.00 O ATOM 528 NE2 GLN A 461 -3.758 6.283 -11.444 1.00 15.00 N ATOM 0 H GLN A 461 -2.922 3.907 -6.810 1.00 15.00 H new ATOM 0 HA GLN A 461 -2.462 6.723 -6.979 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -3.163 4.967 -8.763 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -4.780 5.139 -8.111 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -4.732 7.564 -8.619 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -3.109 7.400 -9.261 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -2.758 6.367 -11.263 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -4.088 6.030 -12.375 1.00 15.00 H new ATOM 537 N GLU A 462 -4.939 5.616 -5.223 1.00 15.00 N ATOM 538 CA GLU A 462 -5.952 5.969 -4.237 1.00 15.00 C ATOM 539 C GLU A 462 -5.320 6.540 -2.967 1.00 15.00 C ATOM 540 O GLU A 462 -6.026 6.944 -2.043 1.00 15.00 O ATOM 541 CB GLU A 462 -6.813 4.751 -3.878 1.00 15.00 C ATOM 542 CG GLU A 462 -6.025 3.470 -3.667 1.00 15.00 C ATOM 543 CD GLU A 462 -5.798 2.709 -4.960 1.00 15.00 C ATOM 544 OE1 GLU A 462 -4.810 3.000 -5.662 1.00 15.00 O ATOM 545 OE2 GLU A 462 -6.611 1.816 -5.275 1.00 15.00 O ATOM 0 H GLU A 462 -4.745 4.616 -5.280 1.00 15.00 H new ATOM 0 HA GLU A 462 -6.585 6.735 -4.685 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -7.374 4.972 -2.970 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -7.542 4.589 -4.672 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -5.062 3.710 -3.216 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -6.557 2.832 -2.962 1.00 15.00 H new ATOM 552 N LEU A 463 -3.994 6.577 -2.923 1.00 15.00 N ATOM 553 CA LEU A 463 -3.286 7.032 -1.734 1.00 15.00 C ATOM 554 C LEU A 463 -2.151 7.987 -2.111 1.00 15.00 C ATOM 555 O LEU A 463 -1.293 8.305 -1.288 1.00 15.00 O ATOM 556 CB LEU A 463 -2.736 5.814 -0.980 1.00 15.00 C ATOM 557 CG LEU A 463 -2.180 6.094 0.418 1.00 15.00 C ATOM 558 CD1 LEU A 463 -3.259 6.670 1.322 1.00 15.00 C ATOM 559 CD2 LEU A 463 -1.601 4.825 1.023 1.00 15.00 C ATOM 0 H LEU A 463 -3.389 6.298 -3.695 1.00 15.00 H new ATOM 0 HA LEU A 463 -3.978 7.575 -1.090 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -3.532 5.074 -0.893 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -1.946 5.364 -1.581 1.00 15.00 H new ATOM 0 HG LEU A 463 -1.382 6.831 0.327 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -2.842 6.861 2.311 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -3.629 7.603 0.898 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -4.081 5.959 1.407 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.210 5.041 2.017 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -2.382 4.068 1.097 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -0.796 4.454 0.389 1.00 15.00 H new ATOM 571 N LYS A 464 -2.167 8.468 -3.350 1.00 15.00 N ATOM 572 CA LYS A 464 -1.096 9.329 -3.841 1.00 15.00 C ATOM 573 C LYS A 464 -1.206 10.745 -3.269 1.00 15.00 C ATOM 574 O LYS A 464 -0.354 11.109 -2.427 1.00 15.00 O ATOM 575 CB LYS A 464 -1.069 9.363 -5.374 1.00 15.00 C ATOM 576 CG LYS A 464 -2.372 9.810 -6.015 1.00 15.00 C ATOM 577 CD LYS A 464 -2.178 10.166 -7.480 1.00 15.00 C ATOM 578 CE LYS A 464 -1.146 11.273 -7.644 1.00 15.00 C ATOM 579 NZ LYS A 464 -1.540 12.517 -6.926 1.00 15.00 N ATOM 580 OXT LYS A 464 -2.137 11.489 -3.655 1.00 15.00 O ATOM 0 H LYS A 464 -2.904 8.278 -4.029 1.00 15.00 H new ATOM 0 HA LYS A 464 -0.154 8.903 -3.495 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -0.271 10.032 -5.696 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -0.819 8.368 -5.743 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -3.113 9.016 -5.927 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -2.765 10.673 -5.479 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -1.859 9.282 -8.033 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -3.128 10.484 -7.909 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -0.182 10.928 -7.269 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -1.016 11.492 -8.704 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -0.903 13.292 -7.199 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -2.518 12.768 -7.177 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -1.475 12.361 -5.900 1.00 15.00 H new TER 594 LYS A 464