USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 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 24 MET CE :methyl 164:sc= -4.57! (180deg=-4.81!) USER MOD Set 1.2: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ 145:sc=-0.00603 (180deg=-0.713) USER MOD Single : A 2 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.1) USER MOD Single : A 4 ASN : amide:sc= -1.54! C(o=-1.5!,f=-8.6!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.168) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -4.72! C(o=-4.7!,f=-6.7!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 168:sc=-0.00354 (180deg=-0.0866) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.87 K(o=-1.9,f=-4!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.348 K(o=-0.35,f=-3.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= -0.0168 (180deg=-0.454) USER MOD Single : A 51 TYR OH : rot -96:sc= 0.523 USER MOD Single : A 55 ASN :FLIP amide:sc= -1.29! C(o=-2.2!,f=-1.3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0828 USER MOD Single : A 60 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -9.882 -8.494 6.115 1.00 0.00 N ATOM 2 CA ARG A 1 -10.073 -7.018 6.198 1.00 0.00 C ATOM 3 C ARG A 1 -9.918 -6.404 4.804 1.00 0.00 C ATOM 4 O ARG A 1 -9.903 -7.099 3.808 1.00 0.00 O ATOM 5 CB ARG A 1 -9.029 -6.422 7.144 1.00 0.00 C ATOM 6 CG ARG A 1 -9.720 -5.919 8.414 1.00 0.00 C ATOM 7 CD ARG A 1 -9.082 -6.578 9.640 1.00 0.00 C ATOM 8 NE ARG A 1 -8.445 -5.532 10.489 1.00 0.00 N ATOM 9 CZ ARG A 1 -8.864 -5.338 11.710 1.00 0.00 C ATOM 10 NH1 ARG A 1 -10.070 -4.887 11.922 1.00 0.00 N ATOM 11 NH2 ARG A 1 -8.076 -5.593 12.719 1.00 0.00 N ATOM 0 H1 ARG A 1 -9.409 -8.832 6.977 1.00 0.00 H new ATOM 0 H2 ARG A 1 -10.808 -8.959 6.023 1.00 0.00 H new ATOM 0 H3 ARG A 1 -9.296 -8.722 5.287 1.00 0.00 H new ATOM 0 HA ARG A 1 -11.071 -6.800 6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -8.281 -7.173 7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -8.504 -5.602 6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -9.631 -4.835 8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -10.785 -6.150 8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -9.838 -7.116 10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -8.338 -7.311 9.327 1.00 0.00 H new ATOM 0 HE ARG A 1 -7.682 -4.968 10.116 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -10.685 -4.686 11.134 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -10.397 -4.735 12.876 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -7.133 -5.944 12.553 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -8.404 -5.441 13.673 1.00 0.00 H new ATOM 27 N LYS A 2 -9.805 -5.105 4.726 1.00 0.00 N ATOM 28 CA LYS A 2 -9.655 -4.450 3.394 1.00 0.00 C ATOM 29 C LYS A 2 -8.634 -3.313 3.493 1.00 0.00 C ATOM 30 O LYS A 2 -7.926 -3.185 4.471 1.00 0.00 O ATOM 31 CB LYS A 2 -11.007 -3.885 2.948 1.00 0.00 C ATOM 32 CG LYS A 2 -11.803 -3.428 4.172 1.00 0.00 C ATOM 33 CD LYS A 2 -12.900 -4.450 4.480 1.00 0.00 C ATOM 34 CE LYS A 2 -13.845 -3.881 5.541 1.00 0.00 C ATOM 35 NZ LYS A 2 -13.123 -3.766 6.841 1.00 0.00 N ATOM 0 H LYS A 2 -9.810 -4.471 5.525 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.309 -5.184 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.855 -3.047 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.566 -4.644 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.140 -3.321 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.245 -2.449 3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.456 -4.687 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.456 -5.380 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.212 -2.903 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.715 -4.528 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.797 -3.509 7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.678 -4.677 7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.391 -3.031 6.767 1.00 0.00 H new ATOM 49 N CYS A 3 -8.552 -2.485 2.487 1.00 0.00 N ATOM 50 CA CYS A 3 -7.581 -1.356 2.523 1.00 0.00 C ATOM 51 C CYS A 3 -8.267 -0.111 1.967 1.00 0.00 C ATOM 52 O CYS A 3 -8.249 0.133 0.779 1.00 0.00 O ATOM 53 CB CYS A 3 -6.365 -1.707 1.660 1.00 0.00 C ATOM 54 SG CYS A 3 -6.122 -3.503 1.662 1.00 0.00 S ATOM 0 H CYS A 3 -9.117 -2.543 1.640 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.251 -1.172 3.545 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.514 -1.350 0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.476 -1.208 2.046 1.00 0.00 H new ATOM 59 N ASN A 4 -8.886 0.669 2.814 1.00 0.00 N ATOM 60 CA ASN A 4 -9.602 1.891 2.335 1.00 0.00 C ATOM 61 C ASN A 4 -8.626 3.047 2.088 1.00 0.00 C ATOM 62 O ASN A 4 -8.972 4.201 2.251 1.00 0.00 O ATOM 63 CB ASN A 4 -10.612 2.321 3.396 1.00 0.00 C ATOM 64 CG ASN A 4 -11.419 1.107 3.861 1.00 0.00 C ATOM 65 OD1 ASN A 4 -11.114 -0.014 3.504 1.00 0.00 O ATOM 66 ND2 ASN A 4 -12.443 1.283 4.650 1.00 0.00 N ATOM 0 H ASN A 4 -8.927 0.513 3.821 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.101 1.651 1.396 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.095 2.772 4.243 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.280 3.080 2.989 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -12.987 0.480 4.967 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.700 2.223 4.950 1.00 0.00 H new ATOM 73 N LYS A 5 -7.422 2.762 1.687 1.00 0.00 N ATOM 74 CA LYS A 5 -6.449 3.857 1.424 1.00 0.00 C ATOM 75 C LYS A 5 -5.396 3.372 0.431 1.00 0.00 C ATOM 76 O LYS A 5 -5.132 2.193 0.317 1.00 0.00 O ATOM 77 CB LYS A 5 -5.770 4.274 2.727 1.00 0.00 C ATOM 78 CG LYS A 5 -6.595 5.373 3.399 1.00 0.00 C ATOM 79 CD LYS A 5 -7.399 4.775 4.554 1.00 0.00 C ATOM 80 CE LYS A 5 -7.246 5.658 5.795 1.00 0.00 C ATOM 81 NZ LYS A 5 -8.572 6.230 6.164 1.00 0.00 N ATOM 0 H LYS A 5 -7.068 1.818 1.530 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.977 4.715 1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.676 3.416 3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.761 4.633 2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.938 6.160 3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.267 5.832 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.450 4.698 4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.051 3.765 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.847 5.073 6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.534 6.460 5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.469 6.830 7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.935 6.801 5.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.238 5.458 6.368 1.00 0.00 H new ATOM 95 N LEU A 6 -4.791 4.276 -0.286 1.00 0.00 N ATOM 96 CA LEU A 6 -3.751 3.877 -1.276 1.00 0.00 C ATOM 97 C LEU A 6 -2.851 5.079 -1.560 1.00 0.00 C ATOM 98 O LEU A 6 -1.640 4.985 -1.516 1.00 0.00 O ATOM 99 CB LEU A 6 -4.422 3.419 -2.573 1.00 0.00 C ATOM 100 CG LEU A 6 -4.916 1.980 -2.416 1.00 0.00 C ATOM 101 CD1 LEU A 6 -6.437 1.978 -2.247 1.00 0.00 C ATOM 102 CD2 LEU A 6 -4.543 1.174 -3.663 1.00 0.00 C ATOM 0 H LEU A 6 -4.972 5.278 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.156 3.056 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.257 4.077 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.717 3.483 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.451 1.531 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.789 0.953 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.705 2.553 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.901 2.427 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.895 0.148 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.008 1.624 -4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.460 1.175 -3.786 1.00 0.00 H new ATOM 114 N VAL A 7 -3.432 6.214 -1.843 1.00 0.00 N ATOM 115 CA VAL A 7 -2.606 7.420 -2.117 1.00 0.00 C ATOM 116 C VAL A 7 -3.273 8.655 -1.442 1.00 0.00 C ATOM 117 O VAL A 7 -3.039 8.847 -0.266 1.00 0.00 O ATOM 118 CB VAL A 7 -2.388 7.554 -3.628 1.00 0.00 C ATOM 119 CG1 VAL A 7 -1.113 6.804 -4.004 1.00 0.00 C ATOM 120 CG2 VAL A 7 -3.564 6.930 -4.393 1.00 0.00 C ATOM 0 H VAL A 7 -4.441 6.356 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.610 7.338 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.310 8.610 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.944 6.890 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.267 7.233 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.217 5.753 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.396 7.032 -5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.645 5.873 -4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.488 7.441 -4.120 1.00 0.00 H new ATOM 130 N PRO A 8 -4.104 9.456 -2.113 1.00 0.00 N ATOM 131 CA PRO A 8 -4.750 10.584 -1.423 1.00 0.00 C ATOM 132 C PRO A 8 -5.971 10.039 -0.687 1.00 0.00 C ATOM 133 O PRO A 8 -5.926 9.729 0.488 1.00 0.00 O ATOM 134 CB PRO A 8 -5.184 11.518 -2.551 1.00 0.00 C ATOM 135 CG PRO A 8 -5.301 10.640 -3.816 1.00 0.00 C ATOM 136 CD PRO A 8 -4.489 9.360 -3.544 1.00 0.00 C ATOM 0 HA PRO A 8 -4.109 11.093 -0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.137 11.994 -2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.456 12.316 -2.697 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.343 10.400 -4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.914 11.166 -4.689 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.083 8.466 -3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.611 9.303 -4.188 1.00 0.00 H new ATOM 144 N LEU A 9 -7.056 9.892 -1.393 1.00 0.00 N ATOM 145 CA LEU A 9 -8.286 9.336 -0.788 1.00 0.00 C ATOM 146 C LEU A 9 -8.659 8.060 -1.553 1.00 0.00 C ATOM 147 O LEU A 9 -9.819 7.746 -1.731 1.00 0.00 O ATOM 148 CB LEU A 9 -9.403 10.376 -0.902 1.00 0.00 C ATOM 149 CG LEU A 9 -9.973 10.393 -2.323 1.00 0.00 C ATOM 150 CD1 LEU A 9 -11.413 9.879 -2.306 1.00 0.00 C ATOM 151 CD2 LEU A 9 -9.953 11.827 -2.859 1.00 0.00 C ATOM 0 H LEU A 9 -7.139 10.139 -2.379 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.134 9.097 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.195 10.148 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.017 11.363 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.368 9.752 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.816 9.892 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.431 8.859 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.020 10.519 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.358 11.843 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.559 12.465 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.927 12.196 -2.873 1.00 0.00 H new ATOM 163 N PHE A 10 -7.675 7.334 -2.024 1.00 0.00 N ATOM 164 CA PHE A 10 -7.960 6.091 -2.798 1.00 0.00 C ATOM 165 C PHE A 10 -8.318 4.955 -1.835 1.00 0.00 C ATOM 166 O PHE A 10 -7.526 4.566 -1.001 1.00 0.00 O ATOM 167 CB PHE A 10 -6.710 5.697 -3.590 1.00 0.00 C ATOM 168 CG PHE A 10 -6.570 6.561 -4.825 1.00 0.00 C ATOM 169 CD1 PHE A 10 -7.092 7.861 -4.845 1.00 0.00 C ATOM 170 CD2 PHE A 10 -5.911 6.056 -5.952 1.00 0.00 C ATOM 171 CE1 PHE A 10 -6.955 8.653 -5.990 1.00 0.00 C ATOM 172 CE2 PHE A 10 -5.775 6.848 -7.098 1.00 0.00 C ATOM 173 CZ PHE A 10 -6.297 8.147 -7.118 1.00 0.00 C ATOM 0 H PHE A 10 -6.686 7.551 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.794 6.270 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.826 5.804 -2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.771 4.648 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.600 8.252 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.507 5.054 -5.937 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.357 9.655 -6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.267 6.457 -7.967 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.192 8.758 -8.002 1.00 0.00 H new ATOM 183 N TYR A 11 -9.502 4.416 -1.946 1.00 0.00 N ATOM 184 CA TYR A 11 -9.902 3.302 -1.035 1.00 0.00 C ATOM 185 C TYR A 11 -10.192 2.044 -1.858 1.00 0.00 C ATOM 186 O TYR A 11 -10.533 2.116 -3.022 1.00 0.00 O ATOM 187 CB TYR A 11 -11.156 3.705 -0.257 1.00 0.00 C ATOM 188 CG TYR A 11 -12.249 4.091 -1.225 1.00 0.00 C ATOM 189 CD1 TYR A 11 -13.024 3.100 -1.839 1.00 0.00 C ATOM 190 CD2 TYR A 11 -12.488 5.442 -1.508 1.00 0.00 C ATOM 191 CE1 TYR A 11 -14.037 3.459 -2.736 1.00 0.00 C ATOM 192 CE2 TYR A 11 -13.501 5.801 -2.405 1.00 0.00 C ATOM 193 CZ TYR A 11 -14.276 4.810 -3.019 1.00 0.00 C ATOM 194 OH TYR A 11 -15.275 5.164 -3.904 1.00 0.00 O ATOM 0 H TYR A 11 -10.209 4.697 -2.626 1.00 0.00 H new ATOM 0 HA TYR A 11 -9.091 3.097 -0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.488 2.879 0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.932 4.540 0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.840 2.058 -1.621 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.891 6.207 -1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.634 2.694 -3.210 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.685 6.843 -2.623 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.308 6.140 -3.986 1.00 0.00 H new ATOM 204 N LYS A 12 -10.061 0.888 -1.260 1.00 0.00 N ATOM 205 CA LYS A 12 -10.329 -0.374 -2.004 1.00 0.00 C ATOM 206 C LYS A 12 -10.571 -1.516 -1.012 1.00 0.00 C ATOM 207 O LYS A 12 -10.198 -1.440 0.144 1.00 0.00 O ATOM 208 CB LYS A 12 -9.126 -0.715 -2.884 1.00 0.00 C ATOM 209 CG LYS A 12 -9.376 -0.212 -4.306 1.00 0.00 C ATOM 210 CD LYS A 12 -8.131 0.517 -4.814 1.00 0.00 C ATOM 211 CE LYS A 12 -7.998 0.309 -6.324 1.00 0.00 C ATOM 212 NZ LYS A 12 -9.220 0.820 -7.008 1.00 0.00 N ATOM 0 H LYS A 12 -9.780 0.766 -0.287 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.213 -0.242 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.224 -0.257 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.961 -1.792 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.614 -1.049 -4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.235 0.459 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.202 1.581 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.243 0.141 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.116 0.829 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.861 -0.750 -6.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.023 0.948 -8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.995 0.137 -6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.495 1.732 -6.591 1.00 0.00 H new ATOM 226 N THR A 13 -11.183 -2.577 -1.459 1.00 0.00 N ATOM 227 CA THR A 13 -11.445 -3.729 -0.552 1.00 0.00 C ATOM 228 C THR A 13 -10.796 -4.986 -1.132 1.00 0.00 C ATOM 229 O THR A 13 -10.880 -5.249 -2.315 1.00 0.00 O ATOM 230 CB THR A 13 -12.955 -3.945 -0.427 1.00 0.00 C ATOM 231 OG1 THR A 13 -13.202 -5.076 0.395 1.00 0.00 O ATOM 232 CG2 THR A 13 -13.552 -4.179 -1.816 1.00 0.00 C ATOM 0 H THR A 13 -11.514 -2.696 -2.416 1.00 0.00 H new ATOM 0 HA THR A 13 -11.026 -3.523 0.433 1.00 0.00 H new ATOM 0 HB THR A 13 -13.415 -3.064 0.020 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.168 -5.215 0.478 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.628 -4.333 -1.729 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.360 -3.310 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.095 -5.061 -2.265 1.00 0.00 H new ATOM 240 N CYS A 14 -10.149 -5.768 -0.311 1.00 0.00 N ATOM 241 CA CYS A 14 -9.497 -7.005 -0.823 1.00 0.00 C ATOM 242 C CYS A 14 -10.351 -8.224 -0.461 1.00 0.00 C ATOM 243 O CYS A 14 -11.102 -8.191 0.493 1.00 0.00 O ATOM 244 CB CYS A 14 -8.108 -7.150 -0.195 1.00 0.00 C ATOM 245 SG CYS A 14 -6.840 -6.850 -1.454 1.00 0.00 S ATOM 0 H CYS A 14 -10.044 -5.603 0.690 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.400 -6.940 -1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.994 -6.443 0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.990 -8.149 0.225 1.00 0.00 H new ATOM 250 N PRO A 15 -10.206 -9.266 -1.240 1.00 0.00 N ATOM 251 CA PRO A 15 -10.950 -10.520 -1.034 1.00 0.00 C ATOM 252 C PRO A 15 -10.333 -11.325 0.113 1.00 0.00 C ATOM 253 O PRO A 15 -10.760 -12.421 0.415 1.00 0.00 O ATOM 254 CB PRO A 15 -10.790 -11.255 -2.368 1.00 0.00 C ATOM 255 CG PRO A 15 -9.527 -10.665 -3.043 1.00 0.00 C ATOM 256 CD PRO A 15 -9.285 -9.290 -2.395 1.00 0.00 C ATOM 0 HA PRO A 15 -11.994 -10.361 -0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.681 -12.328 -2.210 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.669 -11.114 -2.997 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.668 -11.319 -2.896 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.673 -10.566 -4.119 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.248 -9.175 -2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.498 -8.479 -3.091 1.00 0.00 H new ATOM 264 N ALA A 16 -9.332 -10.787 0.755 1.00 0.00 N ATOM 265 CA ALA A 16 -8.690 -11.520 1.882 1.00 0.00 C ATOM 266 C ALA A 16 -8.286 -12.919 1.414 1.00 0.00 C ATOM 267 O ALA A 16 -8.559 -13.906 2.068 1.00 0.00 O ATOM 268 CB ALA A 16 -9.677 -11.634 3.046 1.00 0.00 C ATOM 0 H ALA A 16 -8.932 -9.872 0.548 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.804 -10.977 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.207 -12.170 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.964 -10.636 3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.564 -12.177 2.719 1.00 0.00 H new ATOM 274 N GLY A 17 -7.637 -13.011 0.286 1.00 0.00 N ATOM 275 CA GLY A 17 -7.216 -14.346 -0.224 1.00 0.00 C ATOM 276 C GLY A 17 -5.690 -14.400 -0.316 1.00 0.00 C ATOM 277 O GLY A 17 -5.096 -15.459 -0.318 1.00 0.00 O ATOM 0 H GLY A 17 -7.380 -12.220 -0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.579 -15.131 0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.657 -14.528 -1.204 1.00 0.00 H new ATOM 281 N LYS A 18 -5.050 -13.265 -0.393 1.00 0.00 N ATOM 282 CA LYS A 18 -3.564 -13.256 -0.485 1.00 0.00 C ATOM 283 C LYS A 18 -2.969 -13.274 0.924 1.00 0.00 C ATOM 284 O LYS A 18 -2.653 -14.318 1.460 1.00 0.00 O ATOM 285 CB LYS A 18 -3.105 -11.995 -1.219 1.00 0.00 C ATOM 286 CG LYS A 18 -3.541 -12.072 -2.684 1.00 0.00 C ATOM 287 CD LYS A 18 -3.053 -10.828 -3.430 1.00 0.00 C ATOM 288 CE LYS A 18 -2.677 -11.208 -4.864 1.00 0.00 C ATOM 289 NZ LYS A 18 -2.945 -10.056 -5.770 1.00 0.00 N ATOM 0 H LYS A 18 -5.492 -12.346 -0.396 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.227 -14.136 -1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.532 -11.110 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.021 -11.898 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.134 -12.970 -3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.627 -12.144 -2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.832 -10.066 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.192 -10.399 -2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.624 -11.486 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.252 -12.077 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.690 -10.314 -6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.955 -9.811 -5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.378 -9.238 -5.469 1.00 0.00 H new ATOM 303 N ASN A 19 -2.814 -12.129 1.532 1.00 0.00 N ATOM 304 CA ASN A 19 -2.241 -12.095 2.906 1.00 0.00 C ATOM 305 C ASN A 19 -2.601 -10.777 3.589 1.00 0.00 C ATOM 306 O ASN A 19 -3.308 -10.757 4.579 1.00 0.00 O ATOM 307 CB ASN A 19 -0.720 -12.230 2.834 1.00 0.00 C ATOM 308 CG ASN A 19 -0.322 -13.666 3.179 1.00 0.00 C ATOM 309 OD1 ASN A 19 -0.343 -14.535 2.331 1.00 0.00 O ATOM 310 ND2 ASN A 19 0.038 -13.954 4.399 1.00 0.00 N ATOM 0 H ASN A 19 -3.058 -11.220 1.138 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.654 -12.923 3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.368 -11.973 1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.249 -11.533 3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.302 -14.909 4.641 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.056 -13.224 5.111 1.00 0.00 H new ATOM 317 N LEU A 20 -2.121 -9.671 3.085 1.00 0.00 N ATOM 318 CA LEU A 20 -2.446 -8.371 3.739 1.00 0.00 C ATOM 319 C LEU A 20 -2.525 -7.249 2.689 1.00 0.00 C ATOM 320 O LEU A 20 -3.065 -7.435 1.616 1.00 0.00 O ATOM 321 CB LEU A 20 -1.377 -8.057 4.794 1.00 0.00 C ATOM 322 CG LEU A 20 0.010 -8.024 4.149 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.609 -6.621 4.244 1.00 0.00 C ATOM 324 CD2 LEU A 20 0.928 -8.992 4.887 1.00 0.00 C ATOM 0 H LEU A 20 -1.525 -9.611 2.259 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.418 -8.441 4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.590 -7.097 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.402 -8.810 5.582 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.085 -8.307 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.596 -6.614 3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.039 -5.913 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.698 -6.334 5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.918 -8.973 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.004 -8.696 5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.519 -10.000 4.824 1.00 0.00 H new ATOM 336 N CYS A 21 -2.001 -6.085 2.985 1.00 0.00 N ATOM 337 CA CYS A 21 -2.062 -4.963 2.000 1.00 0.00 C ATOM 338 C CYS A 21 -0.751 -4.183 2.064 1.00 0.00 C ATOM 339 O CYS A 21 -0.008 -4.303 3.010 1.00 0.00 O ATOM 340 CB CYS A 21 -3.225 -4.030 2.356 1.00 0.00 C ATOM 341 SG CYS A 21 -4.268 -3.767 0.900 1.00 0.00 S ATOM 0 H CYS A 21 -1.535 -5.864 3.865 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.213 -5.360 0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.815 -4.462 3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.841 -3.076 2.716 1.00 0.00 H new ATOM 346 N TYR A 22 -0.446 -3.391 1.075 1.00 0.00 N ATOM 347 CA TYR A 22 0.835 -2.635 1.126 1.00 0.00 C ATOM 348 C TYR A 22 0.805 -1.448 0.166 1.00 0.00 C ATOM 349 O TYR A 22 0.444 -1.578 -0.986 1.00 0.00 O ATOM 350 CB TYR A 22 1.981 -3.565 0.733 1.00 0.00 C ATOM 351 CG TYR A 22 1.961 -3.796 -0.762 1.00 0.00 C ATOM 352 CD1 TYR A 22 0.796 -4.261 -1.388 1.00 0.00 C ATOM 353 CD2 TYR A 22 3.105 -3.536 -1.525 1.00 0.00 C ATOM 354 CE1 TYR A 22 0.777 -4.464 -2.773 1.00 0.00 C ATOM 355 CE2 TYR A 22 3.086 -3.741 -2.910 1.00 0.00 C ATOM 356 CZ TYR A 22 1.922 -4.205 -3.534 1.00 0.00 C ATOM 357 OH TYR A 22 1.903 -4.406 -4.899 1.00 0.00 O ATOM 0 H TYR A 22 -1.019 -3.236 0.245 1.00 0.00 H new ATOM 0 HA TYR A 22 0.978 -2.261 2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.935 -3.129 1.030 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.888 -4.515 1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.088 -4.463 -0.801 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.003 -3.177 -1.045 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.122 -4.821 -3.254 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.970 -3.541 -3.497 1.00 0.00 H new ATOM 0 HH TYR A 22 2.778 -4.177 -5.276 1.00 0.00 H new ATOM 367 N LYS A 23 1.214 -0.301 0.622 1.00 0.00 N ATOM 368 CA LYS A 23 1.242 0.880 -0.280 1.00 0.00 C ATOM 369 C LYS A 23 2.650 1.003 -0.861 1.00 0.00 C ATOM 370 O LYS A 23 3.609 1.253 -0.151 1.00 0.00 O ATOM 371 CB LYS A 23 0.887 2.160 0.493 1.00 0.00 C ATOM 372 CG LYS A 23 0.174 1.806 1.802 1.00 0.00 C ATOM 373 CD LYS A 23 -0.811 2.918 2.165 1.00 0.00 C ATOM 374 CE LYS A 23 -0.886 3.055 3.686 1.00 0.00 C ATOM 375 NZ LYS A 23 -2.061 3.896 4.052 1.00 0.00 N ATOM 0 H LYS A 23 1.529 -0.130 1.577 1.00 0.00 H new ATOM 0 HA LYS A 23 0.509 0.750 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.793 2.728 0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.247 2.797 -0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.354 0.859 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.903 1.676 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.493 3.860 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.797 2.691 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.972 2.071 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.030 3.506 4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.234 3.825 5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.870 4.887 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.900 3.564 3.535 1.00 0.00 H new ATOM 389 N MET A 24 2.787 0.811 -2.146 1.00 0.00 N ATOM 390 CA MET A 24 4.132 0.904 -2.776 1.00 0.00 C ATOM 391 C MET A 24 4.444 2.369 -3.075 1.00 0.00 C ATOM 392 O MET A 24 3.850 2.973 -3.947 1.00 0.00 O ATOM 393 CB MET A 24 4.142 0.103 -4.080 1.00 0.00 C ATOM 394 CG MET A 24 5.541 0.152 -4.698 1.00 0.00 C ATOM 395 SD MET A 24 5.402 0.418 -6.483 1.00 0.00 S ATOM 396 CE MET A 24 5.002 2.181 -6.418 1.00 0.00 C ATOM 0 H MET A 24 2.023 0.594 -2.786 1.00 0.00 H new ATOM 0 HA MET A 24 4.884 0.499 -2.099 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.854 -0.930 -3.887 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.411 0.513 -4.777 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.123 0.954 -4.244 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.071 -0.779 -4.498 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.148 2.624 -7.403 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.963 2.307 -6.114 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.653 2.676 -5.697 1.00 0.00 H new ATOM 406 N PHE A 25 5.368 2.945 -2.352 1.00 0.00 N ATOM 407 CA PHE A 25 5.723 4.374 -2.582 1.00 0.00 C ATOM 408 C PHE A 25 7.118 4.454 -3.210 1.00 0.00 C ATOM 409 O PHE A 25 7.649 3.471 -3.687 1.00 0.00 O ATOM 410 CB PHE A 25 5.722 5.116 -1.242 1.00 0.00 C ATOM 411 CG PHE A 25 4.305 5.273 -0.723 1.00 0.00 C ATOM 412 CD1 PHE A 25 3.212 4.789 -1.459 1.00 0.00 C ATOM 413 CD2 PHE A 25 4.089 5.897 0.511 1.00 0.00 C ATOM 414 CE1 PHE A 25 1.912 4.932 -0.959 1.00 0.00 C ATOM 415 CE2 PHE A 25 2.788 6.037 1.011 1.00 0.00 C ATOM 416 CZ PHE A 25 1.700 5.553 0.277 1.00 0.00 C ATOM 0 H PHE A 25 5.894 2.484 -1.609 1.00 0.00 H new ATOM 0 HA PHE A 25 4.995 4.831 -3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.323 4.569 -0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.182 6.097 -1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.374 4.306 -2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.928 6.272 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.072 4.563 -1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.625 6.519 1.964 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.697 5.658 0.664 1.00 0.00 H new ATOM 426 N MET A 26 7.722 5.615 -3.214 1.00 0.00 N ATOM 427 CA MET A 26 9.083 5.741 -3.811 1.00 0.00 C ATOM 428 C MET A 26 9.949 6.642 -2.926 1.00 0.00 C ATOM 429 O MET A 26 9.464 7.567 -2.306 1.00 0.00 O ATOM 430 CB MET A 26 8.973 6.353 -5.210 1.00 0.00 C ATOM 431 CG MET A 26 8.095 5.460 -6.090 1.00 0.00 C ATOM 432 SD MET A 26 7.784 6.290 -7.668 1.00 0.00 S ATOM 433 CE MET A 26 7.425 4.806 -8.638 1.00 0.00 C ATOM 0 H MET A 26 7.333 6.477 -2.831 1.00 0.00 H new ATOM 0 HA MET A 26 9.540 4.754 -3.881 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.546 7.354 -5.148 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.964 6.456 -5.652 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.587 4.503 -6.261 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.152 5.248 -5.586 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.201 5.089 -9.666 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.291 4.144 -8.624 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.567 4.289 -8.208 1.00 0.00 H new ATOM 443 N VAL A 27 11.226 6.378 -2.861 1.00 0.00 N ATOM 444 CA VAL A 27 12.117 7.220 -2.011 1.00 0.00 C ATOM 445 C VAL A 27 12.769 8.308 -2.869 1.00 0.00 C ATOM 446 O VAL A 27 13.635 9.031 -2.418 1.00 0.00 O ATOM 447 CB VAL A 27 13.205 6.346 -1.387 1.00 0.00 C ATOM 448 CG1 VAL A 27 14.106 7.207 -0.500 1.00 0.00 C ATOM 449 CG2 VAL A 27 12.551 5.252 -0.539 1.00 0.00 C ATOM 0 H VAL A 27 11.690 5.618 -3.358 1.00 0.00 H new ATOM 0 HA VAL A 27 11.526 7.685 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 27 13.803 5.889 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.882 6.584 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.569 7.989 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.510 7.663 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.324 4.627 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.955 5.711 0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.908 4.638 -1.170 1.00 0.00 H new ATOM 459 N SER A 28 12.359 8.432 -4.100 1.00 0.00 N ATOM 460 CA SER A 28 12.956 9.476 -4.981 1.00 0.00 C ATOM 461 C SER A 28 11.840 10.191 -5.745 1.00 0.00 C ATOM 462 O SER A 28 12.076 10.843 -6.743 1.00 0.00 O ATOM 463 CB SER A 28 13.916 8.822 -5.974 1.00 0.00 C ATOM 464 OG SER A 28 15.128 8.492 -5.307 1.00 0.00 O ATOM 0 H SER A 28 11.637 7.857 -4.535 1.00 0.00 H new ATOM 0 HA SER A 28 13.503 10.196 -4.373 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.464 7.925 -6.397 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.117 9.500 -6.804 1.00 0.00 H new ATOM 0 HG SER A 28 15.746 8.071 -5.940 1.00 0.00 H new ATOM 470 N ASN A 29 10.626 10.075 -5.281 1.00 0.00 N ATOM 471 CA ASN A 29 9.493 10.747 -5.978 1.00 0.00 C ATOM 472 C ASN A 29 9.484 12.233 -5.615 1.00 0.00 C ATOM 473 O ASN A 29 10.452 12.766 -5.110 1.00 0.00 O ATOM 474 CB ASN A 29 8.175 10.109 -5.537 1.00 0.00 C ATOM 475 CG ASN A 29 7.384 9.668 -6.769 1.00 0.00 C ATOM 476 OD1 ASN A 29 7.935 9.090 -7.684 1.00 0.00 O ATOM 477 ND2 ASN A 29 6.104 9.917 -6.831 1.00 0.00 N ATOM 0 H ASN A 29 10.370 9.544 -4.449 1.00 0.00 H new ATOM 0 HA ASN A 29 9.610 10.635 -7.056 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.371 9.252 -4.892 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.592 10.821 -4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.567 9.626 -7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.641 10.402 -6.063 1.00 0.00 H new ATOM 484 N LEU A 30 8.394 12.904 -5.868 1.00 0.00 N ATOM 485 CA LEU A 30 8.319 14.356 -5.538 1.00 0.00 C ATOM 486 C LEU A 30 7.405 14.552 -4.327 1.00 0.00 C ATOM 487 O LEU A 30 7.469 15.555 -3.646 1.00 0.00 O ATOM 488 CB LEU A 30 7.750 15.127 -6.734 1.00 0.00 C ATOM 489 CG LEU A 30 8.144 14.424 -8.034 1.00 0.00 C ATOM 490 CD1 LEU A 30 6.940 13.657 -8.584 1.00 0.00 C ATOM 491 CD2 LEU A 30 8.595 15.465 -9.060 1.00 0.00 C ATOM 0 H LEU A 30 7.552 12.510 -6.289 1.00 0.00 H new ATOM 0 HA LEU A 30 9.318 14.729 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.664 15.188 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.128 16.149 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 30 8.960 13.729 -7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.220 13.156 -9.510 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.617 12.915 -7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.124 14.353 -8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.876 14.965 -9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.779 16.160 -9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.452 16.013 -8.669 1.00 0.00 H new ATOM 503 N THR A 31 6.555 13.600 -4.054 1.00 0.00 N ATOM 504 CA THR A 31 5.638 13.735 -2.887 1.00 0.00 C ATOM 505 C THR A 31 5.997 12.691 -1.826 1.00 0.00 C ATOM 506 O THR A 31 6.585 13.006 -0.813 1.00 0.00 O ATOM 507 CB THR A 31 4.194 13.519 -3.348 1.00 0.00 C ATOM 508 OG1 THR A 31 3.906 14.401 -4.425 1.00 0.00 O ATOM 509 CG2 THR A 31 3.237 13.797 -2.187 1.00 0.00 C ATOM 0 H THR A 31 6.456 12.736 -4.587 1.00 0.00 H new ATOM 0 HA THR A 31 5.740 14.733 -2.460 1.00 0.00 H new ATOM 0 HB THR A 31 4.068 12.488 -3.678 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.983 14.263 -4.723 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.210 13.643 -2.517 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.459 13.119 -1.362 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.360 14.827 -1.853 1.00 0.00 H new ATOM 517 N VAL A 32 5.646 11.451 -2.055 1.00 0.00 N ATOM 518 CA VAL A 32 5.960 10.380 -1.066 1.00 0.00 C ATOM 519 C VAL A 32 5.087 9.154 -1.365 1.00 0.00 C ATOM 520 O VAL A 32 5.596 8.066 -1.534 1.00 0.00 O ATOM 521 CB VAL A 32 5.710 10.906 0.365 1.00 0.00 C ATOM 522 CG1 VAL A 32 5.025 9.846 1.239 1.00 0.00 C ATOM 523 CG2 VAL A 32 7.051 11.276 1.002 1.00 0.00 C ATOM 0 H VAL A 32 5.153 11.135 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 32 7.008 10.091 -1.142 1.00 0.00 H new ATOM 0 HB VAL A 32 5.057 11.776 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.864 10.248 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.066 9.575 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.659 8.961 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.883 11.648 2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.691 10.394 1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.536 12.049 0.406 1.00 0.00 H new ATOM 533 N PRO A 33 3.797 9.366 -1.425 1.00 0.00 N ATOM 534 CA PRO A 33 2.836 8.287 -1.704 1.00 0.00 C ATOM 535 C PRO A 33 2.852 7.946 -3.196 1.00 0.00 C ATOM 536 O PRO A 33 3.314 8.719 -4.011 1.00 0.00 O ATOM 537 CB PRO A 33 1.491 8.884 -1.281 1.00 0.00 C ATOM 538 CG PRO A 33 1.666 10.422 -1.315 1.00 0.00 C ATOM 539 CD PRO A 33 3.180 10.694 -1.227 1.00 0.00 C ATOM 0 HA PRO A 33 3.058 7.358 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.696 8.568 -1.957 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.213 8.547 -0.282 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.250 10.839 -2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.139 10.891 -0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.503 11.401 -1.991 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.453 11.120 -0.262 1.00 0.00 H new ATOM 547 N VAL A 34 2.363 6.793 -3.563 1.00 0.00 N ATOM 548 CA VAL A 34 2.369 6.421 -5.003 1.00 0.00 C ATOM 549 C VAL A 34 1.202 5.479 -5.313 1.00 0.00 C ATOM 550 O VAL A 34 0.305 5.819 -6.061 1.00 0.00 O ATOM 551 CB VAL A 34 3.688 5.732 -5.346 1.00 0.00 C ATOM 552 CG1 VAL A 34 3.640 5.223 -6.788 1.00 0.00 C ATOM 553 CG2 VAL A 34 4.837 6.732 -5.196 1.00 0.00 C ATOM 0 H VAL A 34 1.963 6.098 -2.932 1.00 0.00 H new ATOM 0 HA VAL A 34 2.261 7.325 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 34 3.845 4.891 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.582 4.731 -7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.821 4.512 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.483 6.063 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.780 6.242 -5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.679 7.572 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.872 7.095 -4.169 1.00 0.00 H new ATOM 563 N LYS A 35 1.202 4.297 -4.757 1.00 0.00 N ATOM 564 CA LYS A 35 0.083 3.349 -5.041 1.00 0.00 C ATOM 565 C LYS A 35 0.001 2.288 -3.939 1.00 0.00 C ATOM 566 O LYS A 35 0.788 2.277 -3.014 1.00 0.00 O ATOM 567 CB LYS A 35 0.327 2.667 -6.390 1.00 0.00 C ATOM 568 CG LYS A 35 1.603 1.826 -6.316 1.00 0.00 C ATOM 569 CD LYS A 35 1.237 0.341 -6.313 1.00 0.00 C ATOM 570 CE LYS A 35 0.755 -0.068 -7.706 1.00 0.00 C ATOM 571 NZ LYS A 35 1.930 -0.374 -8.569 1.00 0.00 N ATOM 0 H LYS A 35 1.921 3.948 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.856 3.902 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.523 2.035 -6.648 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.418 3.416 -7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.249 2.050 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.163 2.075 -5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.102 -0.257 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.457 0.149 -5.576 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.105 -0.940 -7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.165 0.735 -8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.602 -0.652 -9.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.534 0.469 -8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.476 -1.153 -8.149 1.00 0.00 H new ATOM 585 N ARG A 36 -0.953 1.398 -4.032 1.00 0.00 N ATOM 586 CA ARG A 36 -1.093 0.339 -2.990 1.00 0.00 C ATOM 587 C ARG A 36 -1.920 -0.827 -3.547 1.00 0.00 C ATOM 588 O ARG A 36 -2.682 -0.672 -4.481 1.00 0.00 O ATOM 589 CB ARG A 36 -1.797 0.927 -1.763 1.00 0.00 C ATOM 590 CG ARG A 36 -2.244 -0.205 -0.833 1.00 0.00 C ATOM 591 CD ARG A 36 -3.086 0.373 0.306 1.00 0.00 C ATOM 592 NE ARG A 36 -2.918 -0.470 1.523 1.00 0.00 N ATOM 593 CZ ARG A 36 -2.506 0.068 2.638 1.00 0.00 C ATOM 594 NH1 ARG A 36 -3.163 1.065 3.163 1.00 0.00 N ATOM 595 NH2 ARG A 36 -1.436 -0.392 3.227 1.00 0.00 N ATOM 0 H ARG A 36 -1.641 1.359 -4.784 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.106 -0.025 -2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.124 1.601 -1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.659 1.517 -2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.823 -0.941 -1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.374 -0.724 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.780 1.398 0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.136 0.407 0.016 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.125 -1.468 1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.999 1.424 2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.841 1.485 4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.923 -1.171 2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.113 0.028 4.099 1.00 0.00 H new ATOM 609 N GLY A 37 -1.777 -1.993 -2.973 1.00 0.00 N ATOM 610 CA GLY A 37 -2.554 -3.173 -3.455 1.00 0.00 C ATOM 611 C GLY A 37 -2.588 -4.235 -2.351 1.00 0.00 C ATOM 612 O GLY A 37 -2.338 -3.950 -1.199 1.00 0.00 O ATOM 0 H GLY A 37 -1.153 -2.179 -2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.568 -2.873 -3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.097 -3.582 -4.356 1.00 0.00 H new ATOM 616 N CYS A 38 -2.886 -5.461 -2.690 1.00 0.00 N ATOM 617 CA CYS A 38 -2.922 -6.531 -1.650 1.00 0.00 C ATOM 618 C CYS A 38 -1.539 -7.175 -1.541 1.00 0.00 C ATOM 619 O CYS A 38 -0.619 -6.812 -2.247 1.00 0.00 O ATOM 620 CB CYS A 38 -3.956 -7.593 -2.029 1.00 0.00 C ATOM 621 SG CYS A 38 -5.184 -7.731 -0.704 1.00 0.00 S ATOM 0 H CYS A 38 -3.105 -5.767 -3.638 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.199 -6.094 -0.691 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.444 -7.324 -2.966 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.466 -8.554 -2.188 1.00 0.00 H new ATOM 626 N ILE A 39 -1.376 -8.122 -0.655 1.00 0.00 N ATOM 627 CA ILE A 39 -0.043 -8.771 -0.505 1.00 0.00 C ATOM 628 C ILE A 39 -0.214 -10.259 -0.190 1.00 0.00 C ATOM 629 O ILE A 39 -1.217 -10.691 0.343 1.00 0.00 O ATOM 630 CB ILE A 39 0.732 -8.068 0.627 1.00 0.00 C ATOM 631 CG1 ILE A 39 1.789 -7.154 0.018 1.00 0.00 C ATOM 632 CG2 ILE A 39 1.428 -9.079 1.549 1.00 0.00 C ATOM 633 CD1 ILE A 39 2.692 -6.620 1.130 1.00 0.00 C ATOM 0 H ILE A 39 -2.104 -8.472 -0.033 1.00 0.00 H new ATOM 0 HA ILE A 39 0.516 -8.682 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 39 0.017 -7.496 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.381 -7.701 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.312 -6.327 -0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.964 -8.546 2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.682 -9.735 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.133 -9.675 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.450 -5.965 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.093 -6.059 1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.178 -7.454 1.636 1.00 0.00 H new ATOM 645 N ASP A 40 0.791 -11.026 -0.497 1.00 0.00 N ATOM 646 CA ASP A 40 0.753 -12.486 -0.210 1.00 0.00 C ATOM 647 C ASP A 40 1.819 -12.797 0.843 1.00 0.00 C ATOM 648 O ASP A 40 1.715 -13.745 1.594 1.00 0.00 O ATOM 649 CB ASP A 40 1.057 -13.268 -1.491 1.00 0.00 C ATOM 650 CG ASP A 40 -0.187 -14.044 -1.925 1.00 0.00 C ATOM 651 OD1 ASP A 40 -0.365 -15.154 -1.449 1.00 0.00 O ATOM 652 OD2 ASP A 40 -0.939 -13.518 -2.729 1.00 0.00 O ATOM 0 H ASP A 40 1.649 -10.700 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.233 -12.772 0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.366 -12.584 -2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.886 -13.955 -1.322 1.00 0.00 H new ATOM 657 N VAL A 41 2.846 -11.992 0.895 1.00 0.00 N ATOM 658 CA VAL A 41 3.933 -12.211 1.890 1.00 0.00 C ATOM 659 C VAL A 41 4.672 -10.888 2.114 1.00 0.00 C ATOM 660 O VAL A 41 5.188 -10.295 1.189 1.00 0.00 O ATOM 661 CB VAL A 41 4.917 -13.255 1.355 1.00 0.00 C ATOM 662 CG1 VAL A 41 5.754 -13.806 2.509 1.00 0.00 C ATOM 663 CG2 VAL A 41 4.146 -14.401 0.695 1.00 0.00 C ATOM 0 H VAL A 41 2.979 -11.185 0.285 1.00 0.00 H new ATOM 0 HA VAL A 41 3.507 -12.565 2.829 1.00 0.00 H new ATOM 0 HB VAL A 41 5.571 -12.788 0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.454 -14.549 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.308 -12.992 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.098 -14.270 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.850 -15.142 0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.489 -14.867 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.550 -14.011 -0.130 1.00 0.00 H new ATOM 673 N CYS A 42 4.725 -10.416 3.331 1.00 0.00 N ATOM 674 CA CYS A 42 5.429 -9.128 3.594 1.00 0.00 C ATOM 675 C CYS A 42 6.650 -9.376 4.484 1.00 0.00 C ATOM 676 O CYS A 42 6.593 -9.172 5.681 1.00 0.00 O ATOM 677 CB CYS A 42 4.480 -8.159 4.299 1.00 0.00 C ATOM 678 SG CYS A 42 5.425 -6.754 4.940 1.00 0.00 S ATOM 0 H CYS A 42 4.314 -10.864 4.150 1.00 0.00 H new ATOM 0 HA CYS A 42 5.753 -8.699 2.646 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.715 -7.811 3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.963 -8.666 5.114 1.00 0.00 H new ATOM 683 N PRO A 43 7.722 -9.804 3.870 1.00 0.00 N ATOM 684 CA PRO A 43 8.982 -10.082 4.576 1.00 0.00 C ATOM 685 C PRO A 43 9.727 -8.775 4.862 1.00 0.00 C ATOM 686 O PRO A 43 9.598 -8.193 5.920 1.00 0.00 O ATOM 687 CB PRO A 43 9.764 -10.949 3.585 1.00 0.00 C ATOM 688 CG PRO A 43 9.179 -10.646 2.185 1.00 0.00 C ATOM 689 CD PRO A 43 7.778 -10.048 2.414 1.00 0.00 C ATOM 0 HA PRO A 43 8.838 -10.570 5.540 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.828 -10.716 3.620 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.661 -12.006 3.829 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.815 -9.947 1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.119 -11.554 1.585 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.642 -9.125 1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.995 -10.735 2.095 1.00 0.00 H new ATOM 697 N LYS A 44 10.503 -8.310 3.920 1.00 0.00 N ATOM 698 CA LYS A 44 11.254 -7.043 4.129 1.00 0.00 C ATOM 699 C LYS A 44 10.762 -5.990 3.133 1.00 0.00 C ATOM 700 O LYS A 44 9.623 -6.007 2.709 1.00 0.00 O ATOM 701 CB LYS A 44 12.745 -7.300 3.907 1.00 0.00 C ATOM 702 CG LYS A 44 13.545 -6.657 5.038 1.00 0.00 C ATOM 703 CD LYS A 44 13.404 -7.499 6.308 1.00 0.00 C ATOM 704 CE LYS A 44 12.995 -6.598 7.475 1.00 0.00 C ATOM 705 NZ LYS A 44 13.806 -6.943 8.675 1.00 0.00 N ATOM 0 H LYS A 44 10.648 -8.755 3.014 1.00 0.00 H new ATOM 0 HA LYS A 44 11.093 -6.683 5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.939 -8.372 3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.057 -6.889 2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.595 -6.579 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.187 -5.643 5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.658 -8.280 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.347 -7.998 6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.145 -5.551 7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.934 -6.724 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.529 -6.331 9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.642 -7.938 8.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.815 -6.802 8.465 1.00 0.00 H new ATOM 719 N ASN A 45 11.611 -5.074 2.755 1.00 0.00 N ATOM 720 CA ASN A 45 11.191 -4.021 1.785 1.00 0.00 C ATOM 721 C ASN A 45 12.326 -3.763 0.792 1.00 0.00 C ATOM 722 O ASN A 45 13.347 -4.420 0.819 1.00 0.00 O ATOM 723 CB ASN A 45 10.867 -2.730 2.541 1.00 0.00 C ATOM 724 CG ASN A 45 11.949 -2.466 3.591 1.00 0.00 C ATOM 725 OD1 ASN A 45 13.111 -2.738 3.364 1.00 0.00 O ATOM 726 ND2 ASN A 45 11.615 -1.943 4.739 1.00 0.00 N ATOM 0 H ASN A 45 12.577 -5.008 3.075 1.00 0.00 H new ATOM 0 HA ASN A 45 10.305 -4.355 1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.810 -1.893 1.845 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.892 -2.813 3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.329 -1.763 5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.640 -1.714 4.931 1.00 0.00 H new ATOM 733 N SER A 46 12.158 -2.810 -0.085 1.00 0.00 N ATOM 734 CA SER A 46 13.230 -2.515 -1.076 1.00 0.00 C ATOM 735 C SER A 46 13.717 -1.078 -0.885 1.00 0.00 C ATOM 736 O SER A 46 13.028 -0.248 -0.324 1.00 0.00 O ATOM 737 CB SER A 46 12.677 -2.681 -2.492 1.00 0.00 C ATOM 738 OG SER A 46 12.592 -4.065 -2.805 1.00 0.00 O ATOM 0 H SER A 46 11.326 -2.225 -0.157 1.00 0.00 H new ATOM 0 HA SER A 46 14.061 -3.205 -0.928 1.00 0.00 H new ATOM 0 HB2 SER A 46 11.693 -2.219 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.323 -2.174 -3.209 1.00 0.00 H new ATOM 0 HG SER A 46 12.236 -4.174 -3.712 1.00 0.00 H new ATOM 744 N ALA A 47 14.899 -0.776 -1.346 1.00 0.00 N ATOM 745 CA ALA A 47 15.425 0.608 -1.191 1.00 0.00 C ATOM 746 C ALA A 47 14.967 1.462 -2.376 1.00 0.00 C ATOM 747 O ALA A 47 15.417 2.574 -2.563 1.00 0.00 O ATOM 748 CB ALA A 47 16.955 0.573 -1.148 1.00 0.00 C ATOM 0 H ALA A 47 15.522 -1.427 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 47 15.047 1.038 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.339 1.587 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.281 -0.035 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 47 17.335 0.143 -2.074 1.00 0.00 H new ATOM 754 N LEU A 48 14.072 0.951 -3.177 1.00 0.00 N ATOM 755 CA LEU A 48 13.584 1.735 -4.347 1.00 0.00 C ATOM 756 C LEU A 48 12.095 2.034 -4.176 1.00 0.00 C ATOM 757 O LEU A 48 11.582 2.998 -4.709 1.00 0.00 O ATOM 758 CB LEU A 48 13.797 0.926 -5.630 1.00 0.00 C ATOM 759 CG LEU A 48 15.260 0.492 -5.729 1.00 0.00 C ATOM 760 CD1 LEU A 48 15.378 -0.691 -6.691 1.00 0.00 C ATOM 761 CD2 LEU A 48 16.103 1.657 -6.254 1.00 0.00 C ATOM 0 H LEU A 48 13.658 0.025 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 48 14.138 2.672 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.147 0.051 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.526 1.526 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 48 15.618 0.197 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.421 -1.000 -6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.777 -1.522 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.020 -0.395 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.146 1.348 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.744 1.951 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.020 2.503 -5.571 1.00 0.00 H new ATOM 773 N VAL A 49 11.395 1.220 -3.433 1.00 0.00 N ATOM 774 CA VAL A 49 9.940 1.468 -3.230 1.00 0.00 C ATOM 775 C VAL A 49 9.606 1.349 -1.743 1.00 0.00 C ATOM 776 O VAL A 49 10.016 0.417 -1.080 1.00 0.00 O ATOM 777 CB VAL A 49 9.124 0.434 -4.013 1.00 0.00 C ATOM 778 CG1 VAL A 49 9.662 0.330 -5.441 1.00 0.00 C ATOM 779 CG2 VAL A 49 9.235 -0.932 -3.328 1.00 0.00 C ATOM 0 H VAL A 49 11.767 0.397 -2.959 1.00 0.00 H new ATOM 0 HA VAL A 49 9.694 2.469 -3.585 1.00 0.00 H new ATOM 0 HB VAL A 49 8.080 0.745 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.080 -0.406 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.583 1.300 -5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.707 0.021 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.654 -1.667 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.280 -1.241 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.850 -0.861 -2.311 1.00 0.00 H new ATOM 789 N LYS A 50 8.854 2.274 -1.213 1.00 0.00 N ATOM 790 CA LYS A 50 8.491 2.190 0.226 1.00 0.00 C ATOM 791 C LYS A 50 7.351 1.189 0.382 1.00 0.00 C ATOM 792 O LYS A 50 6.194 1.508 0.187 1.00 0.00 O ATOM 793 CB LYS A 50 8.040 3.555 0.735 1.00 0.00 C ATOM 794 CG LYS A 50 8.922 3.978 1.914 1.00 0.00 C ATOM 795 CD LYS A 50 9.821 5.141 1.490 1.00 0.00 C ATOM 796 CE LYS A 50 9.437 6.396 2.276 1.00 0.00 C ATOM 797 NZ LYS A 50 8.011 6.731 2.010 1.00 0.00 N ATOM 0 H LYS A 50 8.478 3.080 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 50 9.358 1.870 0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.105 4.293 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.996 3.512 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.300 4.275 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.531 3.137 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.866 4.891 1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.718 5.323 0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.590 6.231 3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.077 7.229 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.873 7.758 2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.758 6.432 1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.405 6.237 2.696 1.00 0.00 H new ATOM 811 N TYR A 51 7.675 -0.021 0.722 1.00 0.00 N ATOM 812 CA TYR A 51 6.625 -1.064 0.884 1.00 0.00 C ATOM 813 C TYR A 51 5.950 -0.906 2.244 1.00 0.00 C ATOM 814 O TYR A 51 6.431 -1.399 3.245 1.00 0.00 O ATOM 815 CB TYR A 51 7.274 -2.447 0.802 1.00 0.00 C ATOM 816 CG TYR A 51 6.824 -3.148 -0.456 1.00 0.00 C ATOM 817 CD1 TYR A 51 6.695 -2.430 -1.652 1.00 0.00 C ATOM 818 CD2 TYR A 51 6.538 -4.518 -0.428 1.00 0.00 C ATOM 819 CE1 TYR A 51 6.281 -3.083 -2.818 1.00 0.00 C ATOM 820 CE2 TYR A 51 6.124 -5.170 -1.594 1.00 0.00 C ATOM 821 CZ TYR A 51 5.995 -4.454 -2.790 1.00 0.00 C ATOM 822 OH TYR A 51 5.587 -5.097 -3.940 1.00 0.00 O ATOM 0 H TYR A 51 8.629 -0.338 0.897 1.00 0.00 H new ATOM 0 HA TYR A 51 5.881 -0.956 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.360 -2.350 0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.003 -3.039 1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.915 -1.373 -1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.637 -5.072 0.494 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.182 -2.530 -3.740 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.904 -6.227 -1.572 1.00 0.00 H new ATOM 0 HH TYR A 51 4.609 -5.153 -3.954 1.00 0.00 H new ATOM 832 N VAL A 52 4.832 -0.236 2.294 1.00 0.00 N ATOM 833 CA VAL A 52 4.135 -0.078 3.606 1.00 0.00 C ATOM 834 C VAL A 52 3.093 -1.188 3.745 1.00 0.00 C ATOM 835 O VAL A 52 1.921 -0.989 3.492 1.00 0.00 O ATOM 836 CB VAL A 52 3.446 1.293 3.705 1.00 0.00 C ATOM 837 CG1 VAL A 52 4.304 2.235 4.550 1.00 0.00 C ATOM 838 CG2 VAL A 52 3.264 1.900 2.314 1.00 0.00 C ATOM 0 H VAL A 52 4.374 0.204 1.496 1.00 0.00 H new ATOM 0 HA VAL A 52 4.871 -0.144 4.408 1.00 0.00 H new ATOM 0 HB VAL A 52 2.468 1.159 4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.816 3.207 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.427 1.817 5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.282 2.353 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.775 2.870 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.238 2.026 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.649 1.237 1.705 1.00 0.00 H new ATOM 848 N CYS A 53 3.517 -2.363 4.135 1.00 0.00 N ATOM 849 CA CYS A 53 2.557 -3.494 4.281 1.00 0.00 C ATOM 850 C CYS A 53 1.948 -3.481 5.689 1.00 0.00 C ATOM 851 O CYS A 53 2.600 -3.133 6.654 1.00 0.00 O ATOM 852 CB CYS A 53 3.289 -4.818 4.024 1.00 0.00 C ATOM 853 SG CYS A 53 4.018 -5.444 5.561 1.00 0.00 S ATOM 0 H CYS A 53 4.487 -2.586 4.358 1.00 0.00 H new ATOM 0 HA CYS A 53 1.751 -3.388 3.555 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.594 -5.553 3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.069 -4.671 3.277 1.00 0.00 H new ATOM 858 N CYS A 54 0.703 -3.856 5.810 1.00 0.00 N ATOM 859 CA CYS A 54 0.046 -3.865 7.146 1.00 0.00 C ATOM 860 C CYS A 54 -1.219 -4.718 7.081 1.00 0.00 C ATOM 861 O CYS A 54 -1.572 -5.252 6.043 1.00 0.00 O ATOM 862 CB CYS A 54 -0.334 -2.441 7.548 1.00 0.00 C ATOM 863 SG CYS A 54 -1.060 -1.589 6.129 1.00 0.00 S ATOM 0 H CYS A 54 0.111 -4.158 5.036 1.00 0.00 H new ATOM 0 HA CYS A 54 0.737 -4.277 7.881 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.043 -2.462 8.375 1.00 0.00 H new ATOM 0 HB3 CYS A 54 0.547 -1.903 7.897 1.00 0.00 H new ATOM 868 N ASN A 55 -1.914 -4.828 8.183 1.00 0.00 N ATOM 869 CA ASN A 55 -3.168 -5.629 8.204 1.00 0.00 C ATOM 870 C ASN A 55 -4.235 -4.850 9.003 1.00 0.00 C ATOM 871 O ASN A 55 -5.232 -5.391 9.437 1.00 0.00 O ATOM 872 CB ASN A 55 -2.852 -7.010 8.836 1.00 0.00 C ATOM 873 CG ASN A 55 -3.776 -7.331 10.017 1.00 0.00 C ATOM 874 OD1 ASN A 55 -4.985 -7.766 9.776 1.00 0.00 O flip ATOM 875 ND2 ASN A 55 -3.396 -7.186 11.162 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.664 -4.395 9.072 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.559 -5.797 7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.952 -7.786 8.077 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.816 -7.025 9.173 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.452 -6.846 11.347 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.021 -7.404 11.938 1.00 0.00 H new ATOM 882 N THR A 56 -4.026 -3.574 9.201 1.00 0.00 N ATOM 883 CA THR A 56 -5.017 -2.772 9.985 1.00 0.00 C ATOM 884 C THR A 56 -6.234 -2.422 9.123 1.00 0.00 C ATOM 885 O THR A 56 -6.570 -3.122 8.189 1.00 0.00 O ATOM 886 CB THR A 56 -4.354 -1.480 10.470 1.00 0.00 C ATOM 887 OG1 THR A 56 -2.945 -1.583 10.318 1.00 0.00 O ATOM 888 CG2 THR A 56 -4.696 -1.256 11.944 1.00 0.00 C ATOM 0 H THR A 56 -3.219 -3.054 8.857 1.00 0.00 H new ATOM 0 HA THR A 56 -5.350 -3.365 10.837 1.00 0.00 H new ATOM 0 HB THR A 56 -4.720 -0.639 9.880 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.521 -0.755 10.627 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.225 -0.336 12.291 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.777 -1.175 12.059 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.330 -2.096 12.534 1.00 0.00 H new ATOM 896 N ASP A 57 -6.908 -1.348 9.448 1.00 0.00 N ATOM 897 CA ASP A 57 -8.119 -0.948 8.671 1.00 0.00 C ATOM 898 C ASP A 57 -7.728 -0.596 7.233 1.00 0.00 C ATOM 899 O ASP A 57 -8.445 -0.890 6.298 1.00 0.00 O ATOM 900 CB ASP A 57 -8.769 0.268 9.333 1.00 0.00 C ATOM 901 CG ASP A 57 -9.206 -0.096 10.753 1.00 0.00 C ATOM 902 OD1 ASP A 57 -9.714 -1.190 10.934 1.00 0.00 O ATOM 903 OD2 ASP A 57 -9.026 0.726 11.636 1.00 0.00 O ATOM 0 H ASP A 57 -6.670 -0.728 10.222 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.823 -1.780 8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.065 1.100 9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.629 0.597 8.750 1.00 0.00 H new ATOM 908 N ARG A 58 -6.596 0.025 7.048 1.00 0.00 N ATOM 909 CA ARG A 58 -6.162 0.388 5.671 1.00 0.00 C ATOM 910 C ARG A 58 -5.493 -0.825 5.021 1.00 0.00 C ATOM 911 O ARG A 58 -4.872 -0.723 3.984 1.00 0.00 O ATOM 912 CB ARG A 58 -5.166 1.549 5.738 1.00 0.00 C ATOM 913 CG ARG A 58 -5.772 2.697 6.548 1.00 0.00 C ATOM 914 CD ARG A 58 -5.075 2.788 7.907 1.00 0.00 C ATOM 915 NE ARG A 58 -4.127 3.938 7.906 1.00 0.00 N ATOM 916 CZ ARG A 58 -3.201 4.022 8.822 1.00 0.00 C ATOM 917 NH1 ARG A 58 -3.254 3.254 9.875 1.00 0.00 N ATOM 918 NH2 ARG A 58 -2.222 4.874 8.684 1.00 0.00 N ATOM 0 H ARG A 58 -5.953 0.297 7.792 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.027 0.690 5.080 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.235 1.217 6.198 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.921 1.890 4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.660 3.636 6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.841 2.534 6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.814 2.913 8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.539 1.862 8.115 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.202 4.660 7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.019 2.588 9.982 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.530 3.319 10.591 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.181 5.474 7.860 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.498 4.940 9.400 1.00 0.00 H new ATOM 932 N CYS A 59 -5.613 -1.973 5.632 1.00 0.00 N ATOM 933 CA CYS A 59 -4.996 -3.194 5.074 1.00 0.00 C ATOM 934 C CYS A 59 -5.709 -4.401 5.681 1.00 0.00 C ATOM 935 O CYS A 59 -6.806 -4.297 6.191 1.00 0.00 O ATOM 936 CB CYS A 59 -3.506 -3.246 5.446 1.00 0.00 C ATOM 937 SG CYS A 59 -3.049 -1.782 6.417 1.00 0.00 S ATOM 0 H CYS A 59 -6.121 -2.111 6.506 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.087 -3.197 3.988 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.298 -4.150 6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.900 -3.295 4.542 1.00 0.00 H new ATOM 942 N ASN A 60 -5.089 -5.537 5.643 1.00 0.00 N ATOM 943 CA ASN A 60 -5.717 -6.754 6.231 1.00 0.00 C ATOM 944 C ASN A 60 -4.644 -7.813 6.473 1.00 0.00 C ATOM 945 O ASN A 60 -4.975 -8.854 7.015 1.00 0.00 O ATOM 946 CB ASN A 60 -6.775 -7.311 5.280 1.00 0.00 C ATOM 947 CG ASN A 60 -6.189 -7.429 3.872 1.00 0.00 C ATOM 948 OD1 ASN A 60 -5.722 -8.481 3.483 1.00 0.00 O ATOM 949 ND2 ASN A 60 -6.192 -6.387 3.086 1.00 0.00 N ATOM 950 OXT ASN A 60 -3.510 -7.566 6.105 1.00 0.00 O ATOM 0 H ASN A 60 -4.168 -5.682 5.229 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.192 -6.488 7.175 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.113 -8.288 5.627 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.648 -6.658 5.268 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.802 -6.456 2.146 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.584 -5.503 3.412 1.00 0.00 H new TER 957 ASN A 60