USER MOD reduce.3.24.130724 H: found=0, std=0, add=338, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 338 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 8 CYS SG : rot 70:sc= -3! USER MOD Set 1.2: A 31 CYS SG : rot -116:sc= -9.37! USER MOD Set 2.1: A 25 CYS SG : rot -140:sc= -3.02! USER MOD Set 2.2: A 36 CYS SG : rot 169:sc= -4.83! USER MOD Set 3.1: A 4 CYS SG : rot -174:sc= -4.93! USER MOD Set 3.2: A 17 CYS SG : rot -150:sc= -12.9! USER MOD Set 3.3: A 18 LYS NZ :NH3+ 177:sc= -4.64! (180deg=-4.83!) USER MOD Single : A 1 ILE N :NH3+ 174:sc= -0.0986 (180deg=-0.128) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 169:sc=-0.00977 (180deg=-0.156) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0347) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0289 USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= 1.07 (180deg=0.479) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= -0.0066 (180deg=-0.12) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.377 -2.927 -3.775 1.00 3.15 N ATOM 2 CA ILE A 1 2.623 -3.260 -3.089 1.00 53.34 C ATOM 3 C ILE A 1 3.424 -2.004 -2.826 1.00 52.22 C ATOM 4 O ILE A 1 3.290 -1.022 -3.565 1.00 72.44 O ATOM 5 CB ILE A 1 3.507 -4.251 -3.900 1.00 22.23 C ATOM 6 CG1 ILE A 1 3.802 -3.715 -5.318 1.00 22.32 C ATOM 7 CG2 ILE A 1 2.870 -5.626 -3.951 1.00 2.00 C ATOM 8 CD1 ILE A 1 4.737 -4.589 -6.136 1.00 65.42 C ATOM 0 H1 ILE A 1 0.883 -3.802 -4.041 1.00 3.15 H new ATOM 0 H2 ILE A 1 0.771 -2.366 -3.142 1.00 3.15 H new ATOM 0 H3 ILE A 1 1.589 -2.375 -4.631 1.00 3.15 H new ATOM 0 HA ILE A 1 2.343 -3.743 -2.153 1.00 53.34 H new ATOM 0 HB ILE A 1 4.463 -4.343 -3.384 1.00 22.23 H new ATOM 0 HG12 ILE A 1 2.860 -3.608 -5.856 1.00 22.32 H new ATOM 0 HG13 ILE A 1 4.236 -2.719 -5.234 1.00 22.32 H new ATOM 0 HG21 ILE A 1 3.507 -6.301 -4.523 1.00 2.00 H new ATOM 0 HG22 ILE A 1 2.752 -6.010 -2.938 1.00 2.00 H new ATOM 0 HG23 ILE A 1 1.893 -5.557 -4.429 1.00 2.00 H new ATOM 0 HD11 ILE A 1 4.890 -4.139 -7.117 1.00 65.42 H new ATOM 0 HD12 ILE A 1 5.695 -4.676 -5.623 1.00 65.42 H new ATOM 0 HD13 ILE A 1 4.298 -5.579 -6.255 1.00 65.42 H new ATOM 22 N PHE A 2 4.237 -2.014 -1.770 1.00 71.15 N ATOM 23 CA PHE A 2 5.083 -0.883 -1.471 1.00 44.51 C ATOM 24 C PHE A 2 6.130 -0.692 -2.551 1.00 44.43 C ATOM 25 O PHE A 2 6.847 -1.648 -2.925 1.00 2.30 O ATOM 26 CB PHE A 2 5.691 -0.896 -0.037 1.00 12.01 C ATOM 27 CG PHE A 2 5.614 -2.194 0.757 1.00 10.02 C ATOM 28 CD1 PHE A 2 4.526 -2.451 1.583 1.00 33.51 C ATOM 29 CD2 PHE A 2 6.641 -3.120 0.717 1.00 20.14 C ATOM 30 CE1 PHE A 2 4.469 -3.607 2.349 1.00 15.13 C ATOM 31 CE2 PHE A 2 6.586 -4.292 1.486 1.00 12.35 C ATOM 32 CZ PHE A 2 5.500 -4.524 2.299 1.00 71.14 C ATOM 0 H PHE A 2 4.320 -2.793 -1.117 1.00 71.15 H new ATOM 0 HA PHE A 2 4.433 -0.008 -1.473 1.00 44.51 H new ATOM 0 HB2 PHE A 2 6.741 -0.614 -0.116 1.00 12.01 H new ATOM 0 HB3 PHE A 2 5.195 -0.118 0.544 1.00 12.01 H new ATOM 0 HD1 PHE A 2 3.713 -1.741 1.629 1.00 33.51 H new ATOM 0 HD2 PHE A 2 7.497 -2.938 0.085 1.00 20.14 H new ATOM 0 HE1 PHE A 2 3.616 -3.790 2.986 1.00 15.13 H new ATOM 0 HE2 PHE A 2 7.392 -5.009 1.440 1.00 12.35 H new ATOM 0 HZ PHE A 2 5.454 -5.422 2.897 1.00 71.14 H new ATOM 42 N GLU A 3 6.193 0.529 -3.050 1.00 1.14 N ATOM 43 CA GLU A 3 7.003 0.913 -4.196 1.00 53.53 C ATOM 44 C GLU A 3 8.495 0.644 -4.000 1.00 4.31 C ATOM 45 O GLU A 3 9.197 1.416 -3.322 1.00 4.32 O ATOM 46 CB GLU A 3 6.771 2.385 -4.532 1.00 63.54 C ATOM 47 CG GLU A 3 7.401 2.815 -5.841 1.00 60.51 C ATOM 48 CD GLU A 3 6.811 2.072 -7.003 1.00 42.34 C ATOM 49 OE1 GLU A 3 5.792 2.533 -7.554 1.00 40.03 O ATOM 50 OE2 GLU A 3 7.327 1.002 -7.377 1.00 32.21 O ATOM 0 H GLU A 3 5.665 1.308 -2.657 1.00 1.14 H new ATOM 0 HA GLU A 3 6.683 0.286 -5.029 1.00 53.53 H new ATOM 0 HB2 GLU A 3 5.698 2.574 -4.575 1.00 63.54 H new ATOM 0 HB3 GLU A 3 7.171 3.000 -3.726 1.00 63.54 H new ATOM 0 HG2 GLU A 3 7.257 3.886 -5.981 1.00 60.51 H new ATOM 0 HG3 GLU A 3 8.476 2.640 -5.804 1.00 60.51 H new ATOM 57 N CYS A 4 8.942 -0.484 -4.551 1.00 21.41 N ATOM 58 CA CYS A 4 10.315 -0.909 -4.560 1.00 22.52 C ATOM 59 C CYS A 4 10.377 -2.231 -5.339 1.00 21.32 C ATOM 60 O CYS A 4 9.339 -2.747 -5.734 1.00 24.32 O ATOM 61 CB CYS A 4 10.788 -1.046 -3.099 1.00 3.53 C ATOM 62 SG CYS A 4 12.082 -2.248 -2.749 1.00 43.12 S ATOM 0 H CYS A 4 8.321 -1.144 -5.019 1.00 21.41 H new ATOM 0 HA CYS A 4 10.979 -0.195 -5.048 1.00 22.52 H new ATOM 0 HB2 CYS A 4 11.139 -0.069 -2.767 1.00 3.53 H new ATOM 0 HB3 CYS A 4 9.921 -1.298 -2.488 1.00 3.53 H new ATOM 0 HG CYS A 4 12.266 -2.326 -1.464 1.00 43.12 H new ATOM 68 N VAL A 5 11.543 -2.796 -5.472 1.00 42.21 N ATOM 69 CA VAL A 5 11.796 -4.011 -6.215 1.00 30.41 C ATOM 70 C VAL A 5 12.665 -4.829 -5.317 1.00 61.24 C ATOM 71 O VAL A 5 13.749 -4.391 -4.948 1.00 0.00 O ATOM 72 CB VAL A 5 12.580 -3.757 -7.532 1.00 13.20 C ATOM 73 CG1 VAL A 5 12.734 -5.040 -8.326 1.00 54.21 C ATOM 74 CG2 VAL A 5 11.921 -2.701 -8.373 1.00 71.23 C ATOM 0 H VAL A 5 12.386 -2.409 -5.048 1.00 42.21 H new ATOM 0 HA VAL A 5 10.853 -4.483 -6.491 1.00 30.41 H new ATOM 0 HB VAL A 5 13.571 -3.396 -7.255 1.00 13.20 H new ATOM 0 HG11 VAL A 5 13.286 -4.836 -9.243 1.00 54.21 H new ATOM 0 HG12 VAL A 5 13.278 -5.773 -7.731 1.00 54.21 H new ATOM 0 HG13 VAL A 5 11.749 -5.434 -8.575 1.00 54.21 H new ATOM 0 HG21 VAL A 5 12.498 -2.551 -9.286 1.00 71.23 H new ATOM 0 HG22 VAL A 5 10.911 -3.019 -8.630 1.00 71.23 H new ATOM 0 HG23 VAL A 5 11.876 -1.766 -7.814 1.00 71.23 H new ATOM 84 N PHE A 6 12.237 -5.995 -4.968 1.00 40.40 N ATOM 85 CA PHE A 6 12.942 -6.733 -3.981 1.00 34.53 C ATOM 86 C PHE A 6 13.887 -7.688 -4.630 1.00 33.52 C ATOM 87 O PHE A 6 13.640 -8.903 -4.705 1.00 75.33 O ATOM 88 CB PHE A 6 12.005 -7.457 -3.074 1.00 13.21 C ATOM 89 CG PHE A 6 12.566 -7.952 -1.757 1.00 11.21 C ATOM 90 CD1 PHE A 6 13.370 -9.083 -1.683 1.00 11.15 C ATOM 91 CD2 PHE A 6 12.223 -7.309 -0.582 1.00 24.34 C ATOM 92 CE1 PHE A 6 13.821 -9.546 -0.470 1.00 4.23 C ATOM 93 CE2 PHE A 6 12.659 -7.774 0.633 1.00 65.15 C ATOM 94 CZ PHE A 6 13.458 -8.892 0.690 1.00 0.02 C ATOM 0 H PHE A 6 11.409 -6.453 -5.349 1.00 40.40 H new ATOM 0 HA PHE A 6 13.513 -6.030 -3.375 1.00 34.53 H new ATOM 0 HB2 PHE A 6 11.165 -6.796 -2.857 1.00 13.21 H new ATOM 0 HB3 PHE A 6 11.605 -8.314 -3.615 1.00 13.21 H new ATOM 0 HD1 PHE A 6 13.644 -9.604 -2.589 1.00 11.15 H new ATOM 0 HD2 PHE A 6 11.602 -6.426 -0.621 1.00 24.34 H new ATOM 0 HE1 PHE A 6 14.457 -10.418 -0.425 1.00 4.23 H new ATOM 0 HE2 PHE A 6 12.376 -7.264 1.542 1.00 65.15 H new ATOM 0 HZ PHE A 6 13.802 -9.259 1.645 1.00 0.02 H new ATOM 104 N SER A 7 14.868 -7.122 -5.225 1.00 24.24 N ATOM 105 CA SER A 7 15.996 -7.880 -5.686 1.00 11.03 C ATOM 106 C SER A 7 17.027 -7.921 -4.532 1.00 53.23 C ATOM 107 O SER A 7 18.086 -8.531 -4.614 1.00 24.51 O ATOM 108 CB SER A 7 16.560 -7.229 -6.940 1.00 64.11 C ATOM 109 OG SER A 7 15.529 -7.006 -7.903 1.00 52.55 O ATOM 0 H SER A 7 14.924 -6.121 -5.412 1.00 24.24 H new ATOM 0 HA SER A 7 15.721 -8.901 -5.952 1.00 11.03 H new ATOM 0 HB2 SER A 7 17.034 -6.282 -6.682 1.00 64.11 H new ATOM 0 HB3 SER A 7 17.333 -7.866 -7.369 1.00 64.11 H new ATOM 0 HG SER A 7 15.912 -6.585 -8.701 1.00 52.55 H new ATOM 115 N CYS A 8 16.658 -7.212 -3.462 1.00 11.24 N ATOM 116 CA CYS A 8 17.381 -7.079 -2.178 1.00 33.35 C ATOM 117 C CYS A 8 18.795 -6.492 -2.327 1.00 13.55 C ATOM 118 O CYS A 8 19.570 -6.427 -1.373 1.00 31.22 O ATOM 119 CB CYS A 8 17.341 -8.384 -1.345 1.00 21.21 C ATOM 120 SG CYS A 8 17.877 -8.217 0.392 1.00 60.32 S ATOM 0 H CYS A 8 15.790 -6.677 -3.462 1.00 11.24 H new ATOM 0 HA CYS A 8 16.834 -6.334 -1.601 1.00 33.35 H new ATOM 0 HB2 CYS A 8 16.323 -8.773 -1.358 1.00 21.21 H new ATOM 0 HB3 CYS A 8 17.972 -9.127 -1.833 1.00 21.21 H new ATOM 0 HG CYS A 8 16.990 -7.537 1.056 1.00 60.32 H new ATOM 126 N ASP A 9 19.108 -6.048 -3.516 1.00 45.22 N ATOM 127 CA ASP A 9 20.361 -5.346 -3.774 1.00 43.13 C ATOM 128 C ASP A 9 20.337 -4.091 -2.991 1.00 20.41 C ATOM 129 O ASP A 9 19.295 -3.479 -2.892 1.00 24.31 O ATOM 130 CB ASP A 9 20.464 -4.947 -5.219 1.00 24.33 C ATOM 131 CG ASP A 9 20.464 -6.108 -6.159 1.00 2.32 C ATOM 132 OD1 ASP A 9 21.509 -6.759 -6.324 1.00 24.43 O ATOM 133 OD2 ASP A 9 19.429 -6.406 -6.732 1.00 33.13 O ATOM 0 H ASP A 9 18.512 -6.157 -4.337 1.00 45.22 H new ATOM 0 HA ASP A 9 21.193 -5.999 -3.510 1.00 43.13 H new ATOM 0 HB2 ASP A 9 19.631 -4.289 -5.466 1.00 24.33 H new ATOM 0 HB3 ASP A 9 21.378 -4.372 -5.365 1.00 24.33 H new ATOM 138 N ILE A 10 21.448 -3.663 -2.487 1.00 13.04 N ATOM 139 CA ILE A 10 21.455 -2.471 -1.663 1.00 41.14 C ATOM 140 C ILE A 10 21.326 -1.206 -2.509 1.00 33.51 C ATOM 141 O ILE A 10 21.096 -0.122 -1.986 1.00 20.14 O ATOM 142 CB ILE A 10 22.678 -2.395 -0.714 1.00 24.33 C ATOM 143 CG1 ILE A 10 23.991 -2.275 -1.499 1.00 44.22 C ATOM 144 CG2 ILE A 10 22.701 -3.625 0.190 1.00 45.23 C ATOM 145 CD1 ILE A 10 25.222 -2.168 -0.628 1.00 60.40 C ATOM 0 H ILE A 10 22.358 -4.105 -2.621 1.00 13.04 H new ATOM 0 HA ILE A 10 20.576 -2.540 -1.022 1.00 41.14 H new ATOM 0 HB ILE A 10 22.584 -1.499 -0.100 1.00 24.33 H new ATOM 0 HG12 ILE A 10 24.094 -3.143 -2.150 1.00 44.22 H new ATOM 0 HG13 ILE A 10 23.938 -1.398 -2.144 1.00 44.22 H new ATOM 0 HG21 ILE A 10 23.561 -3.570 0.857 1.00 45.23 H new ATOM 0 HG22 ILE A 10 21.786 -3.659 0.781 1.00 45.23 H new ATOM 0 HG23 ILE A 10 22.772 -4.525 -0.421 1.00 45.23 H new ATOM 0 HD11 ILE A 10 26.108 -2.087 -1.258 1.00 60.40 H new ATOM 0 HD12 ILE A 10 25.144 -1.284 0.005 1.00 60.40 H new ATOM 0 HD13 ILE A 10 25.303 -3.056 -0.002 1.00 60.40 H new ATOM 157 N LYS A 11 21.486 -1.359 -3.810 1.00 2.51 N ATOM 158 CA LYS A 11 21.305 -0.273 -4.753 1.00 2.03 C ATOM 159 C LYS A 11 19.850 -0.258 -5.262 1.00 62.14 C ATOM 160 O LYS A 11 19.314 0.786 -5.610 1.00 20.10 O ATOM 161 CB LYS A 11 22.284 -0.442 -5.931 1.00 2.22 C ATOM 162 CG LYS A 11 22.256 0.666 -6.985 1.00 75.32 C ATOM 163 CD LYS A 11 22.664 2.014 -6.420 1.00 33.10 C ATOM 164 CE LYS A 11 22.659 3.095 -7.494 1.00 41.22 C ATOM 165 NZ LYS A 11 21.324 3.296 -8.094 1.00 74.24 N ATOM 0 H LYS A 11 21.746 -2.245 -4.244 1.00 2.51 H new ATOM 0 HA LYS A 11 21.510 0.676 -4.257 1.00 2.03 H new ATOM 0 HB2 LYS A 11 23.296 -0.511 -5.531 1.00 2.22 H new ATOM 0 HB3 LYS A 11 22.070 -1.391 -6.423 1.00 2.22 H new ATOM 0 HG2 LYS A 11 22.925 0.401 -7.804 1.00 75.32 H new ATOM 0 HG3 LYS A 11 21.252 0.740 -7.404 1.00 75.32 H new ATOM 0 HD2 LYS A 11 21.982 2.294 -5.617 1.00 33.10 H new ATOM 0 HD3 LYS A 11 23.659 1.940 -5.982 1.00 33.10 H new ATOM 0 HE2 LYS A 11 23.003 4.034 -7.060 1.00 41.22 H new ATOM 0 HE3 LYS A 11 23.368 2.827 -8.277 1.00 41.22 H new ATOM 0 HZ1 LYS A 11 21.331 4.157 -8.677 1.00 74.24 H new ATOM 0 HZ2 LYS A 11 21.084 2.477 -8.689 1.00 74.24 H new ATOM 0 HZ3 LYS A 11 20.615 3.395 -7.339 1.00 74.24 H new ATOM 179 N LYS A 12 19.222 -1.421 -5.282 1.00 71.44 N ATOM 180 CA LYS A 12 17.850 -1.546 -5.775 1.00 74.14 C ATOM 181 C LYS A 12 16.884 -1.381 -4.622 1.00 51.21 C ATOM 182 O LYS A 12 16.027 -0.492 -4.620 1.00 71.23 O ATOM 183 CB LYS A 12 17.625 -2.926 -6.415 1.00 5.25 C ATOM 184 CG LYS A 12 18.545 -3.252 -7.591 1.00 3.51 C ATOM 185 CD LYS A 12 18.274 -2.386 -8.813 1.00 5.22 C ATOM 186 CE LYS A 12 16.884 -2.625 -9.377 1.00 71.02 C ATOM 187 NZ LYS A 12 16.635 -1.831 -10.601 1.00 74.01 N ATOM 0 H LYS A 12 19.636 -2.297 -4.963 1.00 71.44 H new ATOM 0 HA LYS A 12 17.682 -0.773 -6.525 1.00 74.14 H new ATOM 0 HB2 LYS A 12 17.755 -3.690 -5.649 1.00 5.25 H new ATOM 0 HB3 LYS A 12 16.591 -2.988 -6.754 1.00 5.25 H new ATOM 0 HG2 LYS A 12 19.582 -3.121 -7.282 1.00 3.51 H new ATOM 0 HG3 LYS A 12 18.423 -4.301 -7.861 1.00 3.51 H new ATOM 0 HD2 LYS A 12 18.382 -1.335 -8.545 1.00 5.22 H new ATOM 0 HD3 LYS A 12 19.019 -2.597 -9.580 1.00 5.22 H new ATOM 0 HE2 LYS A 12 16.762 -3.685 -9.602 1.00 71.02 H new ATOM 0 HE3 LYS A 12 16.139 -2.371 -8.623 1.00 71.02 H new ATOM 0 HZ1 LYS A 12 15.675 -2.025 -10.951 1.00 74.01 H new ATOM 0 HZ2 LYS A 12 16.726 -0.818 -10.382 1.00 74.01 H new ATOM 0 HZ3 LYS A 12 17.329 -2.091 -11.331 1.00 74.01 H new ATOM 201 N GLU A 13 17.040 -2.241 -3.659 1.00 71.23 N ATOM 202 CA GLU A 13 16.272 -2.271 -2.488 1.00 72.30 C ATOM 203 C GLU A 13 16.997 -1.439 -1.405 1.00 32.33 C ATOM 204 O GLU A 13 18.090 -0.896 -1.654 1.00 50.12 O ATOM 205 CB GLU A 13 16.155 -3.732 -2.076 1.00 22.31 C ATOM 206 CG GLU A 13 14.745 -4.192 -1.816 1.00 13.24 C ATOM 207 CD GLU A 13 14.155 -3.601 -0.566 1.00 51.41 C ATOM 208 OE1 GLU A 13 13.932 -2.369 -0.524 1.00 45.43 O ATOM 209 OE2 GLU A 13 13.898 -4.350 0.375 1.00 35.43 O ATOM 0 H GLU A 13 17.750 -2.973 -3.689 1.00 71.23 H new ATOM 0 HA GLU A 13 15.278 -1.848 -2.631 1.00 72.30 H new ATOM 0 HB2 GLU A 13 16.589 -4.354 -2.859 1.00 22.31 H new ATOM 0 HB3 GLU A 13 16.749 -3.892 -1.176 1.00 22.31 H new ATOM 0 HG2 GLU A 13 14.119 -3.926 -2.668 1.00 13.24 H new ATOM 0 HG3 GLU A 13 14.732 -5.279 -1.738 1.00 13.24 H new ATOM 216 N GLY A 14 16.402 -1.303 -0.262 1.00 55.02 N ATOM 217 CA GLY A 14 17.020 -0.577 0.810 1.00 12.52 C ATOM 218 C GLY A 14 16.001 0.065 1.716 1.00 20.04 C ATOM 219 O GLY A 14 16.156 1.228 2.090 1.00 4.50 O ATOM 0 H GLY A 14 15.483 -1.687 -0.043 1.00 55.02 H new ATOM 0 HA2 GLY A 14 17.648 -1.252 1.391 1.00 12.52 H new ATOM 0 HA3 GLY A 14 17.674 0.191 0.398 1.00 12.52 H new ATOM 223 N LYS A 15 14.997 -0.714 2.122 1.00 21.32 N ATOM 224 CA LYS A 15 13.843 -0.240 2.908 1.00 62.34 C ATOM 225 C LYS A 15 12.893 -1.444 3.139 1.00 52.02 C ATOM 226 O LYS A 15 13.185 -2.511 2.631 1.00 64.34 O ATOM 227 CB LYS A 15 13.139 0.915 2.139 1.00 53.02 C ATOM 228 CG LYS A 15 12.713 0.549 0.731 1.00 64.01 C ATOM 229 CD LYS A 15 12.180 1.732 -0.049 1.00 4.43 C ATOM 230 CE LYS A 15 13.249 2.787 -0.255 1.00 25.34 C ATOM 231 NZ LYS A 15 12.780 3.886 -1.116 1.00 1.40 N ATOM 0 H LYS A 15 14.957 -1.712 1.913 1.00 21.32 H new ATOM 0 HA LYS A 15 14.154 0.152 3.876 1.00 62.34 H new ATOM 0 HB2 LYS A 15 12.261 1.231 2.703 1.00 53.02 H new ATOM 0 HB3 LYS A 15 13.813 1.771 2.093 1.00 53.02 H new ATOM 0 HG2 LYS A 15 13.563 0.123 0.199 1.00 64.01 H new ATOM 0 HG3 LYS A 15 11.946 -0.224 0.778 1.00 64.01 H new ATOM 0 HD2 LYS A 15 11.809 1.394 -1.017 1.00 4.43 H new ATOM 0 HD3 LYS A 15 11.334 2.168 0.482 1.00 4.43 H new ATOM 0 HE2 LYS A 15 13.554 3.188 0.712 1.00 25.34 H new ATOM 0 HE3 LYS A 15 14.131 2.327 -0.702 1.00 25.34 H new ATOM 0 HZ1 LYS A 15 13.541 4.586 -1.231 1.00 1.40 H new ATOM 0 HZ2 LYS A 15 12.513 3.508 -2.047 1.00 1.40 H new ATOM 0 HZ3 LYS A 15 11.954 4.342 -0.678 1.00 1.40 H new ATOM 245 N PRO A 16 11.775 -1.324 3.944 1.00 32.22 N ATOM 246 CA PRO A 16 10.839 -2.453 4.155 1.00 15.42 C ATOM 247 C PRO A 16 10.099 -2.798 2.878 1.00 21.23 C ATOM 248 O PRO A 16 9.191 -2.061 2.459 1.00 53.30 O ATOM 249 CB PRO A 16 9.841 -1.946 5.210 1.00 65.12 C ATOM 250 CG PRO A 16 10.389 -0.648 5.715 1.00 11.15 C ATOM 251 CD PRO A 16 11.350 -0.124 4.682 1.00 42.00 C ATOM 0 HA PRO A 16 11.366 -3.355 4.467 1.00 15.42 H new ATOM 0 HB2 PRO A 16 8.851 -1.807 4.775 1.00 65.12 H new ATOM 0 HB3 PRO A 16 9.734 -2.665 6.022 1.00 65.12 H new ATOM 0 HG2 PRO A 16 9.584 0.067 5.886 1.00 11.15 H new ATOM 0 HG3 PRO A 16 10.895 -0.792 6.670 1.00 11.15 H new ATOM 0 HD2 PRO A 16 10.871 0.600 4.023 1.00 42.00 H new ATOM 0 HD3 PRO A 16 12.198 0.380 5.146 1.00 42.00 H new ATOM 259 N CYS A 17 10.479 -3.880 2.245 1.00 24.44 N ATOM 260 CA CYS A 17 9.934 -4.204 0.976 1.00 11.10 C ATOM 261 C CYS A 17 9.397 -5.620 0.814 1.00 71.32 C ATOM 262 O CYS A 17 9.387 -6.423 1.755 1.00 72.01 O ATOM 263 CB CYS A 17 10.890 -3.817 -0.105 1.00 51.45 C ATOM 264 SG CYS A 17 11.123 -2.067 -0.157 1.00 31.45 S ATOM 0 H CYS A 17 11.166 -4.545 2.600 1.00 24.44 H new ATOM 0 HA CYS A 17 9.027 -3.606 0.889 1.00 11.10 H new ATOM 0 HB2 CYS A 17 11.848 -4.309 0.060 1.00 51.45 H new ATOM 0 HB3 CYS A 17 10.515 -4.165 -1.067 1.00 51.45 H new ATOM 0 HG CYS A 17 11.380 -1.699 -1.377 1.00 31.45 H new ATOM 270 N LYS A 18 8.916 -5.884 -0.418 1.00 60.32 N ATOM 271 CA LYS A 18 8.175 -7.107 -0.759 1.00 3.24 C ATOM 272 C LYS A 18 9.005 -8.180 -1.430 1.00 41.22 C ATOM 273 O LYS A 18 9.259 -8.092 -2.621 1.00 34.44 O ATOM 274 CB LYS A 18 6.921 -6.807 -1.587 1.00 62.41 C ATOM 275 CG LYS A 18 6.887 -5.542 -2.478 1.00 32.13 C ATOM 276 CD LYS A 18 7.950 -5.415 -3.619 1.00 53.33 C ATOM 277 CE LYS A 18 9.197 -4.612 -3.194 1.00 54.03 C ATOM 278 NZ LYS A 18 8.808 -3.382 -2.443 1.00 4.33 N ATOM 0 H LYS A 18 9.034 -5.248 -1.207 1.00 60.32 H new ATOM 0 HA LYS A 18 7.875 -7.516 0.206 1.00 3.24 H new ATOM 0 HB2 LYS A 18 6.741 -7.667 -2.232 1.00 62.41 H new ATOM 0 HB3 LYS A 18 6.080 -6.744 -0.897 1.00 62.41 H new ATOM 0 HG2 LYS A 18 5.899 -5.482 -2.935 1.00 32.13 H new ATOM 0 HG3 LYS A 18 6.991 -4.673 -1.828 1.00 32.13 H new ATOM 0 HD2 LYS A 18 8.257 -6.412 -3.935 1.00 53.33 H new ATOM 0 HD3 LYS A 18 7.492 -4.934 -4.483 1.00 53.33 H new ATOM 0 HE2 LYS A 18 9.841 -5.234 -2.572 1.00 54.03 H new ATOM 0 HE3 LYS A 18 9.775 -4.337 -4.076 1.00 54.03 H new ATOM 0 HZ1 LYS A 18 9.664 -2.885 -2.124 1.00 4.33 H new ATOM 0 HZ2 LYS A 18 8.256 -2.757 -3.064 1.00 4.33 H new ATOM 0 HZ3 LYS A 18 8.233 -3.646 -1.618 1.00 4.33 H new ATOM 292 N PRO A 19 9.403 -9.231 -0.680 1.00 60.45 N ATOM 293 CA PRO A 19 10.313 -10.268 -1.160 1.00 30.42 C ATOM 294 C PRO A 19 9.834 -11.028 -2.388 1.00 1.25 C ATOM 295 O PRO A 19 8.946 -11.884 -2.311 1.00 5.01 O ATOM 296 CB PRO A 19 10.487 -11.206 0.032 1.00 20.51 C ATOM 297 CG PRO A 19 9.330 -10.943 0.898 1.00 61.45 C ATOM 298 CD PRO A 19 8.975 -9.501 0.701 1.00 73.24 C ATOM 0 HA PRO A 19 11.243 -9.812 -1.501 1.00 30.42 H new ATOM 0 HB2 PRO A 19 10.512 -12.248 -0.287 1.00 20.51 H new ATOM 0 HB3 PRO A 19 11.423 -11.010 0.555 1.00 20.51 H new ATOM 0 HG2 PRO A 19 8.492 -11.589 0.634 1.00 61.45 H new ATOM 0 HG3 PRO A 19 9.572 -11.145 1.942 1.00 61.45 H new ATOM 0 HD2 PRO A 19 7.907 -9.329 0.832 1.00 73.24 H new ATOM 0 HD3 PRO A 19 9.491 -8.859 1.415 1.00 73.24 H new ATOM 306 N LYS A 20 10.393 -10.677 -3.514 1.00 42.31 N ATOM 307 CA LYS A 20 10.132 -11.371 -4.735 1.00 23.02 C ATOM 308 C LYS A 20 11.278 -12.330 -4.974 1.00 33.42 C ATOM 309 O LYS A 20 11.082 -13.536 -5.047 1.00 3.42 O ATOM 310 CB LYS A 20 9.956 -10.393 -5.910 1.00 71.12 C ATOM 311 CG LYS A 20 9.676 -11.084 -7.237 1.00 2.13 C ATOM 312 CD LYS A 20 9.357 -10.100 -8.346 1.00 35.32 C ATOM 313 CE LYS A 20 9.130 -10.832 -9.660 1.00 2.13 C ATOM 314 NZ LYS A 20 8.650 -9.934 -10.725 1.00 62.13 N ATOM 0 H LYS A 20 11.044 -9.897 -3.606 1.00 42.31 H new ATOM 0 HA LYS A 20 9.196 -11.924 -4.659 1.00 23.02 H new ATOM 0 HB2 LYS A 20 9.137 -9.710 -5.685 1.00 71.12 H new ATOM 0 HB3 LYS A 20 10.857 -9.788 -6.007 1.00 71.12 H new ATOM 0 HG2 LYS A 20 10.542 -11.681 -7.523 1.00 2.13 H new ATOM 0 HG3 LYS A 20 8.840 -11.773 -7.115 1.00 2.13 H new ATOM 0 HD2 LYS A 20 8.468 -9.525 -8.085 1.00 35.32 H new ATOM 0 HD3 LYS A 20 10.176 -9.389 -8.456 1.00 35.32 H new ATOM 0 HE2 LYS A 20 10.061 -11.302 -9.977 1.00 2.13 H new ATOM 0 HE3 LYS A 20 8.405 -11.631 -9.507 1.00 2.13 H new ATOM 0 HZ1 LYS A 20 8.510 -10.478 -11.600 1.00 62.13 H new ATOM 0 HZ2 LYS A 20 7.748 -9.504 -10.436 1.00 62.13 H new ATOM 0 HZ3 LYS A 20 9.353 -9.186 -10.891 1.00 62.13 H new ATOM 328 N GLY A 21 12.484 -11.795 -5.021 1.00 43.43 N ATOM 329 CA GLY A 21 13.648 -12.626 -5.188 1.00 53.15 C ATOM 330 C GLY A 21 14.312 -12.882 -3.870 1.00 12.51 C ATOM 331 O GLY A 21 15.512 -12.653 -3.707 1.00 32.52 O ATOM 0 H GLY A 21 12.676 -10.796 -4.946 1.00 43.43 H new ATOM 0 HA2 GLY A 21 13.362 -13.573 -5.646 1.00 53.15 H new ATOM 0 HA3 GLY A 21 14.351 -12.143 -5.867 1.00 53.15 H new ATOM 335 N GLU A 22 13.529 -13.333 -2.924 1.00 2.31 N ATOM 336 CA GLU A 22 14.002 -13.611 -1.598 1.00 64.34 C ATOM 337 C GLU A 22 14.884 -14.831 -1.550 1.00 11.02 C ATOM 338 O GLU A 22 14.893 -15.648 -2.472 1.00 62.03 O ATOM 339 CB GLU A 22 12.823 -13.737 -0.629 1.00 42.53 C ATOM 340 CG GLU A 22 11.667 -14.671 -1.060 1.00 64.41 C ATOM 341 CD GLU A 22 12.015 -16.146 -1.085 1.00 60.21 C ATOM 342 OE1 GLU A 22 12.173 -16.747 -0.010 1.00 51.30 O ATOM 343 OE2 GLU A 22 12.090 -16.728 -2.180 1.00 12.45 O ATOM 0 H GLU A 22 12.535 -13.519 -3.057 1.00 2.31 H new ATOM 0 HA GLU A 22 14.621 -12.770 -1.286 1.00 64.34 H new ATOM 0 HB2 GLU A 22 13.206 -14.089 0.329 1.00 42.53 H new ATOM 0 HB3 GLU A 22 12.412 -12.741 -0.462 1.00 42.53 H new ATOM 0 HG2 GLU A 22 10.827 -14.522 -0.382 1.00 64.41 H new ATOM 0 HG3 GLU A 22 11.331 -14.375 -2.054 1.00 64.41 H new ATOM 350 N LYS A 23 15.651 -14.940 -0.513 1.00 11.52 N ATOM 351 CA LYS A 23 16.433 -16.110 -0.331 1.00 72.01 C ATOM 352 C LYS A 23 15.748 -16.963 0.717 1.00 55.55 C ATOM 353 O LYS A 23 15.595 -18.168 0.543 1.00 53.43 O ATOM 354 CB LYS A 23 17.872 -15.771 0.095 1.00 32.31 C ATOM 355 CG LYS A 23 18.562 -14.712 -0.768 1.00 61.41 C ATOM 356 CD LYS A 23 18.687 -15.144 -2.221 1.00 13.23 C ATOM 357 CE LYS A 23 19.632 -16.321 -2.401 1.00 3.51 C ATOM 358 NZ LYS A 23 19.771 -16.691 -3.821 1.00 32.20 N ATOM 0 H LYS A 23 15.749 -14.233 0.216 1.00 11.52 H new ATOM 0 HA LYS A 23 16.509 -16.651 -1.274 1.00 72.01 H new ATOM 0 HB2 LYS A 23 17.858 -15.425 1.129 1.00 32.31 H new ATOM 0 HB3 LYS A 23 18.468 -16.683 0.072 1.00 32.31 H new ATOM 0 HG2 LYS A 23 17.999 -13.780 -0.715 1.00 61.41 H new ATOM 0 HG3 LYS A 23 19.554 -14.508 -0.365 1.00 61.41 H new ATOM 0 HD2 LYS A 23 17.702 -15.412 -2.603 1.00 13.23 H new ATOM 0 HD3 LYS A 23 19.042 -14.303 -2.817 1.00 13.23 H new ATOM 0 HE2 LYS A 23 20.611 -16.069 -1.992 1.00 3.51 H new ATOM 0 HE3 LYS A 23 19.261 -17.176 -1.836 1.00 3.51 H new ATOM 0 HZ1 LYS A 23 20.422 -17.497 -3.908 1.00 32.20 H new ATOM 0 HZ2 LYS A 23 18.841 -16.955 -4.204 1.00 32.20 H new ATOM 0 HZ3 LYS A 23 20.148 -15.882 -4.355 1.00 32.20 H new ATOM 372 N LYS A 24 15.309 -16.318 1.800 1.00 54.41 N ATOM 373 CA LYS A 24 14.636 -16.990 2.915 1.00 43.21 C ATOM 374 C LYS A 24 13.609 -16.067 3.597 1.00 23.44 C ATOM 375 O LYS A 24 13.092 -16.395 4.670 1.00 74.31 O ATOM 376 CB LYS A 24 15.658 -17.416 3.988 1.00 25.54 C ATOM 377 CG LYS A 24 16.676 -18.461 3.553 1.00 74.32 C ATOM 378 CD LYS A 24 17.599 -18.850 4.695 1.00 22.42 C ATOM 379 CE LYS A 24 18.492 -17.696 5.156 1.00 2.14 C ATOM 380 NZ LYS A 24 19.476 -17.287 4.127 1.00 51.01 N ATOM 0 H LYS A 24 15.410 -15.311 1.929 1.00 54.41 H new ATOM 0 HA LYS A 24 14.130 -17.859 2.495 1.00 43.21 H new ATOM 0 HB2 LYS A 24 16.196 -16.529 4.323 1.00 25.54 H new ATOM 0 HB3 LYS A 24 15.113 -17.803 4.849 1.00 25.54 H new ATOM 0 HG2 LYS A 24 16.156 -19.346 3.187 1.00 74.32 H new ATOM 0 HG3 LYS A 24 17.266 -18.072 2.723 1.00 74.32 H new ATOM 0 HD2 LYS A 24 17.001 -19.199 5.537 1.00 22.42 H new ATOM 0 HD3 LYS A 24 18.225 -19.685 4.381 1.00 22.42 H new ATOM 0 HE2 LYS A 24 17.868 -16.841 5.416 1.00 2.14 H new ATOM 0 HE3 LYS A 24 19.021 -17.991 6.062 1.00 2.14 H new ATOM 0 HZ1 LYS A 24 20.120 -16.574 4.526 1.00 51.01 H new ATOM 0 HZ2 LYS A 24 20.024 -18.116 3.822 1.00 51.01 H new ATOM 0 HZ3 LYS A 24 18.976 -16.883 3.310 1.00 51.01 H new ATOM 394 N CYS A 25 13.286 -14.952 2.992 1.00 11.11 N ATOM 395 CA CYS A 25 12.445 -13.980 3.662 1.00 31.23 C ATOM 396 C CYS A 25 11.036 -13.864 3.067 1.00 35.52 C ATOM 397 O CYS A 25 10.835 -14.054 1.881 1.00 54.34 O ATOM 398 CB CYS A 25 13.161 -12.628 3.745 1.00 13.02 C ATOM 399 SG CYS A 25 13.821 -11.965 2.201 1.00 25.51 S ATOM 0 H CYS A 25 13.584 -14.693 2.052 1.00 11.11 H new ATOM 0 HA CYS A 25 12.281 -14.346 4.675 1.00 31.23 H new ATOM 0 HB2 CYS A 25 12.464 -11.899 4.158 1.00 13.02 H new ATOM 0 HB3 CYS A 25 13.983 -12.721 4.454 1.00 13.02 H new ATOM 0 HG CYS A 25 14.981 -11.421 2.423 1.00 25.51 H new ATOM 405 N THR A 26 10.056 -13.606 3.912 1.00 63.24 N ATOM 406 CA THR A 26 8.674 -13.428 3.488 1.00 74.42 C ATOM 407 C THR A 26 7.960 -12.471 4.459 1.00 31.53 C ATOM 408 O THR A 26 8.040 -12.653 5.678 1.00 14.51 O ATOM 409 CB THR A 26 7.933 -14.791 3.451 1.00 40.43 C ATOM 410 OG1 THR A 26 8.650 -15.705 2.590 1.00 53.33 O ATOM 411 CG2 THR A 26 6.511 -14.623 2.923 1.00 15.33 C ATOM 0 H THR A 26 10.194 -13.513 4.918 1.00 63.24 H new ATOM 0 HA THR A 26 8.666 -13.005 2.484 1.00 74.42 H new ATOM 0 HB THR A 26 7.887 -15.185 4.466 1.00 40.43 H new ATOM 0 HG1 THR A 26 8.184 -16.567 2.567 1.00 53.33 H new ATOM 0 HG21 THR A 26 6.012 -15.592 2.907 1.00 15.33 H new ATOM 0 HG22 THR A 26 5.960 -13.942 3.572 1.00 15.33 H new ATOM 0 HG23 THR A 26 6.544 -14.215 1.913 1.00 15.33 H new ATOM 419 N GLY A 27 7.295 -11.460 3.927 1.00 3.24 N ATOM 420 CA GLY A 27 6.619 -10.493 4.761 1.00 40.41 C ATOM 421 C GLY A 27 7.211 -9.114 4.584 1.00 25.12 C ATOM 422 O GLY A 27 7.813 -8.827 3.543 1.00 32.33 O ATOM 0 H GLY A 27 7.211 -11.291 2.925 1.00 3.24 H new ATOM 0 HA2 GLY A 27 5.558 -10.471 4.512 1.00 40.41 H new ATOM 0 HA3 GLY A 27 6.695 -10.793 5.806 1.00 40.41 H new ATOM 426 N GLY A 28 7.052 -8.271 5.568 1.00 35.35 N ATOM 427 CA GLY A 28 7.604 -6.936 5.508 1.00 53.13 C ATOM 428 C GLY A 28 9.058 -6.958 5.898 1.00 62.50 C ATOM 429 O GLY A 28 9.395 -6.911 7.081 1.00 34.33 O ATOM 0 H GLY A 28 6.543 -8.482 6.426 1.00 35.35 H new ATOM 0 HA2 GLY A 28 7.496 -6.535 4.500 1.00 53.13 H new ATOM 0 HA3 GLY A 28 7.051 -6.275 6.175 1.00 53.13 H new ATOM 433 N TRP A 29 9.920 -7.061 4.925 1.00 2.12 N ATOM 434 CA TRP A 29 11.335 -7.195 5.178 1.00 2.02 C ATOM 435 C TRP A 29 12.124 -6.071 4.562 1.00 61.32 C ATOM 436 O TRP A 29 12.034 -5.813 3.381 1.00 74.52 O ATOM 437 CB TRP A 29 11.827 -8.552 4.692 1.00 63.35 C ATOM 438 CG TRP A 29 11.487 -9.717 5.632 1.00 60.30 C ATOM 439 CD1 TRP A 29 10.256 -10.115 5.994 1.00 74.24 C ATOM 440 CD2 TRP A 29 12.392 -10.614 6.319 1.00 22.22 C ATOM 441 NE1 TRP A 29 10.308 -11.194 6.828 1.00 1.52 N ATOM 442 CE2 TRP A 29 11.599 -11.526 7.045 1.00 3.25 C ATOM 443 CE3 TRP A 29 13.772 -10.745 6.385 1.00 53.03 C ATOM 444 CZ2 TRP A 29 12.141 -12.542 7.823 1.00 72.22 C ATOM 445 CZ3 TRP A 29 14.314 -11.756 7.160 1.00 10.22 C ATOM 446 CH2 TRP A 29 13.499 -12.642 7.867 1.00 51.25 C ATOM 0 H TRP A 29 9.667 -7.055 3.937 1.00 2.12 H new ATOM 0 HA TRP A 29 11.493 -7.134 6.255 1.00 2.02 H new ATOM 0 HB2 TRP A 29 11.395 -8.753 3.712 1.00 63.35 H new ATOM 0 HB3 TRP A 29 12.908 -8.509 4.561 1.00 63.35 H new ATOM 0 HD1 TRP A 29 9.342 -9.642 5.667 1.00 74.24 H new ATOM 0 HE1 TRP A 29 9.500 -11.674 7.225 1.00 1.52 H new ATOM 0 HE3 TRP A 29 14.413 -10.068 5.840 1.00 53.03 H new ATOM 0 HZ2 TRP A 29 11.510 -13.226 8.371 1.00 72.22 H new ATOM 0 HZ3 TRP A 29 15.387 -11.861 7.219 1.00 10.22 H new ATOM 0 HH2 TRP A 29 13.954 -13.422 8.460 1.00 51.25 H new ATOM 457 N ARG A 30 12.883 -5.416 5.389 1.00 20.21 N ATOM 458 CA ARG A 30 13.693 -4.278 5.019 1.00 24.22 C ATOM 459 C ARG A 30 15.022 -4.743 4.489 1.00 63.21 C ATOM 460 O ARG A 30 15.829 -5.239 5.266 1.00 51.05 O ATOM 461 CB ARG A 30 13.998 -3.442 6.276 1.00 42.30 C ATOM 462 CG ARG A 30 12.799 -2.994 7.095 1.00 35.21 C ATOM 463 CD ARG A 30 13.248 -2.429 8.430 1.00 54.31 C ATOM 464 NE ARG A 30 14.184 -1.305 8.293 1.00 12.44 N ATOM 465 CZ ARG A 30 15.198 -1.048 9.137 1.00 41.13 C ATOM 466 NH1 ARG A 30 15.424 -1.848 10.182 1.00 34.22 N ATOM 467 NH2 ARG A 30 15.975 0.014 8.941 1.00 31.44 N ATOM 0 H ARG A 30 12.963 -5.662 6.376 1.00 20.21 H new ATOM 0 HA ARG A 30 13.151 -3.701 4.270 1.00 24.22 H new ATOM 0 HB2 ARG A 30 14.655 -4.024 6.922 1.00 42.30 H new ATOM 0 HB3 ARG A 30 14.554 -2.556 5.971 1.00 42.30 H new ATOM 0 HG2 ARG A 30 12.237 -2.239 6.545 1.00 35.21 H new ATOM 0 HG3 ARG A 30 12.127 -3.837 7.258 1.00 35.21 H new ATOM 0 HD2 ARG A 30 12.374 -2.100 8.991 1.00 54.31 H new ATOM 0 HD3 ARG A 30 13.721 -3.220 9.012 1.00 54.31 H new ATOM 0 HE ARG A 30 14.055 -0.675 7.501 1.00 12.44 H new ATOM 0 HH11 ARG A 30 14.826 -2.658 10.343 1.00 34.22 H new ATOM 0 HH12 ARG A 30 16.195 -1.649 10.820 1.00 34.22 H new ATOM 0 HH21 ARG A 30 15.801 0.634 8.150 1.00 31.44 H new ATOM 0 HH22 ARG A 30 16.744 0.208 9.582 1.00 31.44 H new ATOM 481 N CYS A 31 15.271 -4.638 3.211 1.00 11.30 N ATOM 482 CA CYS A 31 16.617 -4.912 2.774 1.00 3.12 C ATOM 483 C CYS A 31 17.433 -3.708 3.123 1.00 74.33 C ATOM 484 O CYS A 31 16.967 -2.572 3.003 1.00 42.23 O ATOM 485 CB CYS A 31 16.738 -5.225 1.283 1.00 73.35 C ATOM 486 SG CYS A 31 15.681 -6.548 0.736 1.00 1.11 S ATOM 0 H CYS A 31 14.601 -4.379 2.486 1.00 11.30 H new ATOM 0 HA CYS A 31 16.970 -5.814 3.275 1.00 3.12 H new ATOM 0 HB2 CYS A 31 16.503 -4.326 0.713 1.00 73.35 H new ATOM 0 HB3 CYS A 31 17.773 -5.484 1.059 1.00 73.35 H new ATOM 0 HG CYS A 31 16.409 -7.540 0.316 1.00 1.11 H new ATOM 492 N LYS A 32 18.571 -3.939 3.634 1.00 63.21 N ATOM 493 CA LYS A 32 19.455 -2.905 4.002 1.00 44.33 C ATOM 494 C LYS A 32 20.830 -3.473 3.741 1.00 53.32 C ATOM 495 O LYS A 32 20.905 -4.638 3.320 1.00 5.13 O ATOM 496 CB LYS A 32 19.219 -2.523 5.491 1.00 4.50 C ATOM 497 CG LYS A 32 19.807 -1.178 5.943 1.00 3.21 C ATOM 498 CD LYS A 32 19.231 0.020 5.163 1.00 65.41 C ATOM 499 CE LYS A 32 17.718 0.206 5.369 1.00 53.44 C ATOM 500 NZ LYS A 32 17.201 1.435 4.697 1.00 10.21 N ATOM 0 H LYS A 32 18.929 -4.877 3.815 1.00 63.21 H new ATOM 0 HA LYS A 32 19.315 -1.980 3.442 1.00 44.33 H new ATOM 0 HB2 LYS A 32 18.145 -2.508 5.676 1.00 4.50 H new ATOM 0 HB3 LYS A 32 19.639 -3.310 6.118 1.00 4.50 H new ATOM 0 HG2 LYS A 32 19.612 -1.041 7.007 1.00 3.21 H new ATOM 0 HG3 LYS A 32 20.890 -1.200 5.818 1.00 3.21 H new ATOM 0 HD2 LYS A 32 19.748 0.929 5.472 1.00 65.41 H new ATOM 0 HD3 LYS A 32 19.433 -0.116 4.100 1.00 65.41 H new ATOM 0 HE2 LYS A 32 17.191 -0.666 4.982 1.00 53.44 H new ATOM 0 HE3 LYS A 32 17.503 0.260 6.436 1.00 53.44 H new ATOM 0 HZ1 LYS A 32 16.327 1.746 5.167 1.00 10.21 H new ATOM 0 HZ2 LYS A 32 17.914 2.190 4.757 1.00 10.21 H new ATOM 0 HZ3 LYS A 32 17.002 1.227 3.698 1.00 10.21 H new ATOM 514 N ILE A 33 21.884 -2.701 4.030 1.00 30.21 N ATOM 515 CA ILE A 33 23.296 -3.026 3.708 1.00 23.24 C ATOM 516 C ILE A 33 23.704 -4.502 3.880 1.00 31.42 C ATOM 517 O ILE A 33 24.555 -4.988 3.152 1.00 32.12 O ATOM 518 CB ILE A 33 24.297 -2.111 4.463 1.00 62.54 C ATOM 519 CG1 ILE A 33 24.105 -2.213 5.992 1.00 32.01 C ATOM 520 CG2 ILE A 33 24.152 -0.668 3.986 1.00 42.24 C ATOM 521 CD1 ILE A 33 25.100 -1.398 6.797 1.00 21.11 C ATOM 0 H ILE A 33 21.785 -1.805 4.508 1.00 30.21 H new ATOM 0 HA ILE A 33 23.351 -2.830 2.637 1.00 23.24 H new ATOM 0 HB ILE A 33 25.308 -2.450 4.239 1.00 62.54 H new ATOM 0 HG12 ILE A 33 23.096 -1.886 6.243 1.00 32.01 H new ATOM 0 HG13 ILE A 33 24.184 -3.259 6.288 1.00 32.01 H new ATOM 0 HG21 ILE A 33 24.859 -0.035 4.522 1.00 42.24 H new ATOM 0 HG22 ILE A 33 24.357 -0.616 2.917 1.00 42.24 H new ATOM 0 HG23 ILE A 33 23.137 -0.322 4.178 1.00 42.24 H new ATOM 0 HD11 ILE A 33 24.897 -1.524 7.861 1.00 21.11 H new ATOM 0 HD12 ILE A 33 26.112 -1.739 6.578 1.00 21.11 H new ATOM 0 HD13 ILE A 33 25.007 -0.345 6.532 1.00 21.11 H new ATOM 533 N LYS A 34 23.095 -5.207 4.804 1.00 34.20 N ATOM 534 CA LYS A 34 23.422 -6.591 4.994 1.00 51.31 C ATOM 535 C LYS A 34 22.551 -7.500 4.121 1.00 50.24 C ATOM 536 O LYS A 34 23.066 -8.210 3.252 1.00 21.04 O ATOM 537 CB LYS A 34 23.276 -7.000 6.456 1.00 32.33 C ATOM 538 CG LYS A 34 24.172 -6.248 7.412 1.00 51.31 C ATOM 539 CD LYS A 34 23.968 -6.735 8.833 1.00 0.31 C ATOM 540 CE LYS A 34 24.821 -5.961 9.815 1.00 71.21 C ATOM 541 NZ LYS A 34 26.263 -6.149 9.574 1.00 72.12 N ATOM 0 H LYS A 34 22.376 -4.844 5.430 1.00 34.20 H new ATOM 0 HA LYS A 34 24.463 -6.711 4.695 1.00 51.31 H new ATOM 0 HB2 LYS A 34 22.239 -6.853 6.759 1.00 32.33 H new ATOM 0 HB3 LYS A 34 23.486 -8.066 6.544 1.00 32.33 H new ATOM 0 HG2 LYS A 34 25.214 -6.382 7.123 1.00 51.31 H new ATOM 0 HG3 LYS A 34 23.959 -5.181 7.354 1.00 51.31 H new ATOM 0 HD2 LYS A 34 22.917 -6.635 9.105 1.00 0.31 H new ATOM 0 HD3 LYS A 34 24.214 -7.795 8.894 1.00 0.31 H new ATOM 0 HE2 LYS A 34 24.579 -4.901 9.746 1.00 71.21 H new ATOM 0 HE3 LYS A 34 24.580 -6.278 10.830 1.00 71.21 H new ATOM 0 HZ1 LYS A 34 26.802 -5.758 10.373 1.00 72.12 H new ATOM 0 HZ2 LYS A 34 26.470 -7.164 9.480 1.00 72.12 H new ATOM 0 HZ3 LYS A 34 26.536 -5.658 8.699 1.00 72.12 H new ATOM 555 N LEU A 35 21.241 -7.405 4.299 1.00 13.44 N ATOM 556 CA LEU A 35 20.260 -8.358 3.750 1.00 12.42 C ATOM 557 C LEU A 35 18.855 -7.865 4.043 1.00 24.20 C ATOM 558 O LEU A 35 18.657 -6.702 4.396 1.00 31.20 O ATOM 559 CB LEU A 35 20.412 -9.748 4.432 1.00 50.54 C ATOM 560 CG LEU A 35 21.548 -10.652 3.978 1.00 35.22 C ATOM 561 CD1 LEU A 35 21.653 -11.862 4.888 1.00 4.32 C ATOM 562 CD2 LEU A 35 21.340 -11.092 2.533 1.00 13.22 C ATOM 0 H LEU A 35 20.812 -6.653 4.838 1.00 13.44 H new ATOM 0 HA LEU A 35 20.434 -8.441 2.677 1.00 12.42 H new ATOM 0 HB2 LEU A 35 20.526 -9.582 5.503 1.00 50.54 H new ATOM 0 HB3 LEU A 35 19.478 -10.292 4.292 1.00 50.54 H new ATOM 0 HG LEU A 35 22.480 -10.089 4.035 1.00 35.22 H new ATOM 0 HD11 LEU A 35 22.470 -12.500 4.552 1.00 4.32 H new ATOM 0 HD12 LEU A 35 21.846 -11.534 5.909 1.00 4.32 H new ATOM 0 HD13 LEU A 35 20.719 -12.422 4.858 1.00 4.32 H new ATOM 0 HD21 LEU A 35 22.163 -11.738 2.227 1.00 13.22 H new ATOM 0 HD22 LEU A 35 20.400 -11.638 2.451 1.00 13.22 H new ATOM 0 HD23 LEU A 35 21.308 -10.215 1.887 1.00 13.22 H new ATOM 574 N CYS A 36 17.901 -8.756 3.896 1.00 54.13 N ATOM 575 CA CYS A 36 16.518 -8.499 4.224 1.00 0.42 C ATOM 576 C CYS A 36 16.330 -8.684 5.739 1.00 52.42 C ATOM 577 O CYS A 36 16.733 -9.718 6.299 1.00 60.32 O ATOM 578 CB CYS A 36 15.621 -9.477 3.431 1.00 41.12 C ATOM 579 SG CYS A 36 16.049 -11.204 3.686 1.00 0.30 S ATOM 0 H CYS A 36 18.068 -9.697 3.539 1.00 54.13 H new ATOM 0 HA CYS A 36 16.239 -7.480 3.956 1.00 0.42 H new ATOM 0 HB2 CYS A 36 14.582 -9.321 3.720 1.00 41.12 H new ATOM 0 HB3 CYS A 36 15.694 -9.245 2.368 1.00 41.12 H new ATOM 0 HG CYS A 36 15.116 -11.960 3.188 1.00 0.30 H new ATOM 585 N LEU A 37 15.767 -7.693 6.387 1.00 21.51 N ATOM 586 CA LEU A 37 15.528 -7.699 7.800 1.00 43.33 C ATOM 587 C LEU A 37 14.074 -7.298 8.085 1.00 12.11 C ATOM 588 O LEU A 37 13.699 -6.160 7.861 1.00 12.33 O ATOM 589 CB LEU A 37 16.474 -6.691 8.448 1.00 71.21 C ATOM 590 CG LEU A 37 16.284 -6.442 9.932 1.00 23.43 C ATOM 591 CD1 LEU A 37 16.639 -7.671 10.744 1.00 70.42 C ATOM 592 CD2 LEU A 37 17.070 -5.227 10.390 1.00 13.12 C ATOM 0 H LEU A 37 15.455 -6.838 5.927 1.00 21.51 H new ATOM 0 HA LEU A 37 15.701 -8.696 8.205 1.00 43.33 H new ATOM 0 HB2 LEU A 37 17.497 -7.031 8.287 1.00 71.21 H new ATOM 0 HB3 LEU A 37 16.369 -5.740 7.926 1.00 71.21 H new ATOM 0 HG LEU A 37 15.228 -6.232 10.101 1.00 23.43 H new ATOM 0 HD11 LEU A 37 16.493 -7.462 11.804 1.00 70.42 H new ATOM 0 HD12 LEU A 37 15.999 -8.501 10.446 1.00 70.42 H new ATOM 0 HD13 LEU A 37 17.682 -7.935 10.567 1.00 70.42 H new ATOM 0 HD21 LEU A 37 16.914 -5.074 11.458 1.00 13.12 H new ATOM 0 HD22 LEU A 37 18.131 -5.386 10.198 1.00 13.12 H new ATOM 0 HD23 LEU A 37 16.730 -4.347 9.844 1.00 13.12 H new ATOM 604 N LYS A 38 13.268 -8.263 8.488 1.00 42.32 N ATOM 605 CA LYS A 38 11.872 -8.077 8.898 1.00 13.00 C ATOM 606 C LYS A 38 11.671 -6.819 9.744 1.00 64.53 C ATOM 607 O LYS A 38 12.444 -6.538 10.673 1.00 62.42 O ATOM 608 CB LYS A 38 11.434 -9.310 9.684 1.00 71.44 C ATOM 609 CG LYS A 38 9.971 -9.347 10.053 1.00 25.32 C ATOM 610 CD LYS A 38 9.623 -10.678 10.680 1.00 52.34 C ATOM 611 CE LYS A 38 8.152 -10.762 11.020 1.00 32.22 C ATOM 612 NZ LYS A 38 7.780 -12.096 11.507 1.00 50.33 N ATOM 0 H LYS A 38 13.570 -9.236 8.544 1.00 42.32 H new ATOM 0 HA LYS A 38 11.266 -7.950 8.001 1.00 13.00 H new ATOM 0 HB2 LYS A 38 11.667 -10.198 9.097 1.00 71.44 H new ATOM 0 HB3 LYS A 38 12.025 -9.368 10.598 1.00 71.44 H new ATOM 0 HG2 LYS A 38 9.743 -8.539 10.748 1.00 25.32 H new ATOM 0 HG3 LYS A 38 9.360 -9.185 9.165 1.00 25.32 H new ATOM 0 HD2 LYS A 38 9.886 -11.484 9.995 1.00 52.34 H new ATOM 0 HD3 LYS A 38 10.215 -10.822 11.584 1.00 52.34 H new ATOM 0 HE2 LYS A 38 7.911 -10.018 11.779 1.00 32.22 H new ATOM 0 HE3 LYS A 38 7.561 -10.519 10.137 1.00 32.22 H new ATOM 0 HZ1 LYS A 38 6.764 -12.114 11.729 1.00 50.33 H new ATOM 0 HZ2 LYS A 38 7.986 -12.803 10.773 1.00 50.33 H new ATOM 0 HZ3 LYS A 38 8.326 -12.317 12.364 1.00 50.33 H new ATOM 626 N ILE A 39 10.665 -6.063 9.400 1.00 33.24 N ATOM 627 CA ILE A 39 10.350 -4.859 10.098 1.00 61.14 C ATOM 628 C ILE A 39 9.498 -5.191 11.327 1.00 41.30 C ATOM 629 O ILE A 39 8.377 -5.720 11.185 1.00 23.42 O ATOM 630 CB ILE A 39 9.687 -3.765 9.176 1.00 41.43 C ATOM 631 CG1 ILE A 39 9.509 -2.449 9.949 1.00 70.41 C ATOM 632 CG2 ILE A 39 8.373 -4.233 8.545 1.00 72.45 C ATOM 633 CD1 ILE A 39 8.851 -1.330 9.162 1.00 15.11 C ATOM 634 OXT ILE A 39 9.965 -4.962 12.456 1.00 0.00 O ATOM 0 H ILE A 39 10.040 -6.271 8.621 1.00 33.24 H new ATOM 0 HA ILE A 39 11.283 -4.406 10.433 1.00 61.14 H new ATOM 0 HB ILE A 39 10.369 -3.589 8.344 1.00 41.43 H new ATOM 0 HG12 ILE A 39 8.913 -2.646 10.840 1.00 70.41 H new ATOM 0 HG13 ILE A 39 10.487 -2.109 10.288 1.00 70.41 H new ATOM 0 HG21 ILE A 39 7.965 -3.437 7.922 1.00 72.45 H new ATOM 0 HG22 ILE A 39 8.558 -5.115 7.932 1.00 72.45 H new ATOM 0 HG23 ILE A 39 7.660 -4.480 9.331 1.00 72.45 H new ATOM 0 HD11 ILE A 39 8.769 -0.443 9.790 1.00 15.11 H new ATOM 0 HD12 ILE A 39 9.455 -1.098 8.285 1.00 15.11 H new ATOM 0 HD13 ILE A 39 7.856 -1.644 8.845 1.00 15.11 H new TER 646 ILE A 39