USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 435 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 22 TYR OH : rot 180:sc= 0.0126 USER MOD Set 1.2: A 35 LYS NZ :NH3+ -148:sc= 0.0146 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.00885) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 120:sc= -1.26 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0743 X(o=-0.074,f=-0.51) USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= 0.119 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.08) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.807 USER MOD Single : A 46 SER OG : rot -29:sc= 1.33 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.315 K(o=-0.32,f=-6.5!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.53 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.05! C(o=-1!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -11.952 4.514 -1.263 1.00 0.00 N ATOM 19 CA LYS A 2 -12.456 3.220 -0.835 1.00 0.00 C ATOM 20 C LYS A 2 -11.490 2.124 -1.290 1.00 0.00 C ATOM 21 O LYS A 2 -11.393 1.833 -2.481 1.00 0.00 O ATOM 22 CB LYS A 2 -13.892 3.016 -1.323 1.00 0.00 C ATOM 23 CG LYS A 2 -14.899 3.361 -0.225 1.00 0.00 C ATOM 24 CD LYS A 2 -15.858 4.461 -0.687 1.00 0.00 C ATOM 25 CE LYS A 2 -16.984 4.668 0.327 1.00 0.00 C ATOM 26 NZ LYS A 2 -18.047 3.655 0.136 1.00 0.00 N ATOM 0 HA LYS A 2 -12.504 3.171 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.075 3.640 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.030 1.981 -1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.465 2.470 0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.369 3.688 0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.310 5.393 -0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.281 4.196 -1.656 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.586 4.600 1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -17.402 5.668 0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.804 3.810 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.438 3.739 -0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.647 2.704 0.265 1.00 0.00 H new ATOM 39 N CYS A 3 -10.799 1.548 -0.318 1.00 0.00 N ATOM 40 CA CYS A 3 -9.844 0.491 -0.603 1.00 0.00 C ATOM 41 C CYS A 3 -10.116 -0.674 0.351 1.00 0.00 C ATOM 42 O CYS A 3 -11.072 -0.637 1.124 1.00 0.00 O ATOM 43 CB CYS A 3 -8.401 0.989 -0.498 1.00 0.00 C ATOM 44 SG CYS A 3 -7.821 1.969 -1.931 1.00 0.00 S ATOM 0 H CYS A 3 -10.881 1.793 0.669 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.969 0.153 -1.632 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.306 1.596 0.402 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.743 0.129 -0.373 1.00 0.00 H new ATOM 49 N LYS A 4 -9.259 -1.680 0.265 1.00 0.00 N ATOM 50 CA LYS A 4 -9.395 -2.854 1.111 1.00 0.00 C ATOM 51 C LYS A 4 -8.512 -2.689 2.349 1.00 0.00 C ATOM 52 O LYS A 4 -7.495 -1.999 2.304 1.00 0.00 O ATOM 53 CB LYS A 4 -9.104 -4.126 0.312 1.00 0.00 C ATOM 54 CG LYS A 4 -10.345 -4.587 -0.456 1.00 0.00 C ATOM 55 CD LYS A 4 -10.326 -6.102 -0.668 1.00 0.00 C ATOM 56 CE LYS A 4 -10.172 -6.447 -2.150 1.00 0.00 C ATOM 57 NZ LYS A 4 -11.398 -7.100 -2.661 1.00 0.00 N ATOM 0 H LYS A 4 -8.467 -1.707 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.422 -2.954 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.287 -3.942 -0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.775 -4.916 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.243 -4.304 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.389 -4.082 -1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.505 -6.542 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.248 -6.538 -0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.971 -5.541 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.316 -7.108 -2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.276 -7.327 -3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.573 -7.975 -2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.207 -6.457 -2.547 1.00 0.00 H new ATOM 70 N LYS A 5 -8.933 -3.336 3.426 1.00 0.00 N ATOM 71 CA LYS A 5 -8.193 -3.270 4.675 1.00 0.00 C ATOM 72 C LYS A 5 -7.115 -4.356 4.682 1.00 0.00 C ATOM 73 O LYS A 5 -6.877 -5.007 3.666 1.00 0.00 O ATOM 74 CB LYS A 5 -9.148 -3.343 5.868 1.00 0.00 C ATOM 75 CG LYS A 5 -9.924 -2.035 6.030 1.00 0.00 C ATOM 76 CD LYS A 5 -9.333 -1.182 7.154 1.00 0.00 C ATOM 77 CE LYS A 5 -9.666 -1.774 8.525 1.00 0.00 C ATOM 78 NZ LYS A 5 -9.152 -0.902 9.605 1.00 0.00 N ATOM 0 H LYS A 5 -9.777 -3.908 3.460 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.681 -2.312 4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.846 -4.169 5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.584 -3.551 6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.901 -1.476 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.970 -2.253 6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.251 -1.116 7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.723 -0.166 7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.745 -1.889 8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.229 -2.769 8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.091 -1.445 10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.207 -0.551 9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.796 -0.096 9.737 1.00 0.00 H new ATOM 91 N LEU A 6 -6.492 -4.520 5.840 1.00 0.00 N ATOM 92 CA LEU A 6 -5.446 -5.516 5.993 1.00 0.00 C ATOM 93 C LEU A 6 -5.876 -6.812 5.303 1.00 0.00 C ATOM 94 O LEU A 6 -5.296 -7.203 4.291 1.00 0.00 O ATOM 95 CB LEU A 6 -5.088 -5.695 7.470 1.00 0.00 C ATOM 96 CG LEU A 6 -3.977 -4.790 8.006 1.00 0.00 C ATOM 97 CD1 LEU A 6 -4.540 -3.443 8.463 1.00 0.00 C ATOM 98 CD2 LEU A 6 -3.188 -5.488 9.115 1.00 0.00 C ATOM 0 H LEU A 6 -6.692 -3.979 6.681 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.530 -5.184 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.986 -5.525 8.064 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.793 -6.732 7.629 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.279 -4.588 7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.730 -2.819 8.839 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.020 -2.945 7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.272 -3.604 9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.405 -4.823 9.478 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.859 -5.740 9.936 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.737 -6.399 8.722 1.00 0.00 H new ATOM 108 N VAL A 7 -6.890 -7.442 5.878 1.00 0.00 N ATOM 109 CA VAL A 7 -7.405 -8.686 5.331 1.00 0.00 C ATOM 110 C VAL A 7 -8.392 -8.372 4.205 1.00 0.00 C ATOM 111 O VAL A 7 -9.252 -7.505 4.352 1.00 0.00 O ATOM 112 CB VAL A 7 -8.020 -9.533 6.447 1.00 0.00 C ATOM 113 CG1 VAL A 7 -8.703 -10.778 5.877 1.00 0.00 C ATOM 114 CG2 VAL A 7 -6.968 -9.914 7.490 1.00 0.00 C ATOM 0 H VAL A 7 -7.369 -7.114 6.717 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.598 -9.278 4.900 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.781 -8.931 6.944 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.132 -11.363 6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.494 -10.477 5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.970 -11.383 5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.432 -10.516 8.272 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.174 -10.489 7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.547 -9.010 7.930 1.00 0.00 H new ATOM 122 N PRO A 8 -8.232 -9.114 3.077 1.00 0.00 N ATOM 123 CA PRO A 8 -9.098 -8.924 1.926 1.00 0.00 C ATOM 124 C PRO A 8 -10.479 -9.536 2.173 1.00 0.00 C ATOM 125 O PRO A 8 -10.952 -10.349 1.381 1.00 0.00 O ATOM 126 CB PRO A 8 -8.360 -9.573 0.766 1.00 0.00 C ATOM 127 CG PRO A 8 -7.334 -10.503 1.393 1.00 0.00 C ATOM 128 CD PRO A 8 -7.224 -10.150 2.867 1.00 0.00 C ATOM 0 HA PRO A 8 -9.295 -7.873 1.717 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.048 -10.125 0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.876 -8.822 0.142 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.637 -11.543 1.271 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.368 -10.393 0.901 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.412 -11.019 3.497 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.226 -9.787 3.114 1.00 0.00 H new ATOM 136 N LEU A 9 -11.087 -9.121 3.275 1.00 0.00 N ATOM 137 CA LEU A 9 -12.403 -9.617 3.636 1.00 0.00 C ATOM 138 C LEU A 9 -13.402 -8.458 3.625 1.00 0.00 C ATOM 139 O LEU A 9 -14.561 -8.635 3.254 1.00 0.00 O ATOM 140 CB LEU A 9 -12.346 -10.368 4.968 1.00 0.00 C ATOM 141 CG LEU A 9 -11.829 -11.806 4.906 1.00 0.00 C ATOM 142 CD1 LEU A 9 -11.643 -12.383 6.311 1.00 0.00 C ATOM 143 CD2 LEU A 9 -12.742 -12.680 4.044 1.00 0.00 C ATOM 0 H LEU A 9 -10.691 -8.446 3.930 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.750 -10.344 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.713 -9.805 5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.348 -10.381 5.398 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.849 -11.796 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.275 -13.406 6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.923 -11.777 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.598 -12.378 6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.352 -13.697 4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.746 -12.688 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.780 -12.279 3.031 1.00 0.00 H new ATOM 153 N PHE A 10 -12.915 -7.296 4.037 1.00 0.00 N ATOM 154 CA PHE A 10 -13.750 -6.108 4.080 1.00 0.00 C ATOM 155 C PHE A 10 -13.004 -4.893 3.523 1.00 0.00 C ATOM 156 O PHE A 10 -11.798 -4.954 3.291 1.00 0.00 O ATOM 157 CB PHE A 10 -14.090 -5.853 5.549 1.00 0.00 C ATOM 158 CG PHE A 10 -14.492 -7.111 6.322 1.00 0.00 C ATOM 159 CD1 PHE A 10 -13.535 -7.908 6.869 1.00 0.00 C ATOM 160 CD2 PHE A 10 -15.806 -7.431 6.463 1.00 0.00 C ATOM 161 CE1 PHE A 10 -13.908 -9.075 7.586 1.00 0.00 C ATOM 162 CE2 PHE A 10 -16.179 -8.599 7.180 1.00 0.00 C ATOM 163 CZ PHE A 10 -15.223 -9.396 7.727 1.00 0.00 C ATOM 0 H PHE A 10 -11.953 -7.153 4.344 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.644 -6.260 3.476 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -13.228 -5.399 6.037 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.904 -5.130 5.603 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -12.491 -7.653 6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -16.566 -6.797 6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -13.148 -9.708 8.020 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -17.223 -8.854 7.291 1.00 0.00 H new ATOM 0 HZ PHE A 10 -15.507 -10.283 8.273 1.00 0.00 H new ATOM 173 N SER A 11 -13.753 -3.819 3.325 1.00 0.00 N ATOM 174 CA SER A 11 -13.178 -2.592 2.800 1.00 0.00 C ATOM 175 C SER A 11 -13.539 -1.414 3.707 1.00 0.00 C ATOM 176 O SER A 11 -14.592 -1.417 4.345 1.00 0.00 O ATOM 177 CB SER A 11 -13.656 -2.327 1.371 1.00 0.00 C ATOM 178 OG SER A 11 -15.060 -2.531 1.231 1.00 0.00 O ATOM 0 H SER A 11 -14.753 -3.773 3.519 1.00 0.00 H new ATOM 0 HA SER A 11 -12.094 -2.705 2.777 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.409 -1.303 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.124 -2.984 0.683 1.00 0.00 H new ATOM 0 HG SER A 11 -15.326 -2.350 0.305 1.00 0.00 H new ATOM 184 N LYS A 12 -12.647 -0.436 3.737 1.00 0.00 N ATOM 185 CA LYS A 12 -12.858 0.745 4.556 1.00 0.00 C ATOM 186 C LYS A 12 -12.525 1.995 3.738 1.00 0.00 C ATOM 187 O LYS A 12 -12.136 1.894 2.575 1.00 0.00 O ATOM 188 CB LYS A 12 -12.071 0.639 5.864 1.00 0.00 C ATOM 189 CG LYS A 12 -12.952 0.988 7.065 1.00 0.00 C ATOM 190 CD LYS A 12 -12.111 1.155 8.332 1.00 0.00 C ATOM 191 CE LYS A 12 -12.865 0.645 9.562 1.00 0.00 C ATOM 192 NZ LYS A 12 -12.379 1.321 10.785 1.00 0.00 N ATOM 0 H LYS A 12 -11.776 -0.437 3.207 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.906 0.823 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.681 -0.373 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.213 1.310 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.499 1.909 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.693 0.203 7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.173 0.610 8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.856 2.206 8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.933 0.824 9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.731 -0.433 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.901 0.963 11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.364 1.129 10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.530 2.346 10.698 1.00 0.00 H new ATOM 205 N THR A 13 -12.690 3.143 4.377 1.00 0.00 N ATOM 206 CA THR A 13 -12.412 4.410 3.723 1.00 0.00 C ATOM 207 C THR A 13 -11.278 5.144 4.441 1.00 0.00 C ATOM 208 O THR A 13 -11.311 5.303 5.660 1.00 0.00 O ATOM 209 CB THR A 13 -13.715 5.211 3.668 1.00 0.00 C ATOM 210 OG1 THR A 13 -14.499 4.531 2.692 1.00 0.00 O ATOM 211 CG2 THR A 13 -13.519 6.610 3.081 1.00 0.00 C ATOM 0 H THR A 13 -13.013 3.223 5.341 1.00 0.00 H new ATOM 0 HA THR A 13 -12.063 4.259 2.701 1.00 0.00 H new ATOM 0 HB THR A 13 -14.132 5.295 4.672 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.330 4.213 3.103 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.474 7.135 3.065 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.810 7.166 3.694 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.133 6.527 2.065 1.00 0.00 H new ATOM 218 N CYS A 14 -10.301 5.572 3.655 1.00 0.00 N ATOM 219 CA CYS A 14 -9.159 6.285 4.200 1.00 0.00 C ATOM 220 C CYS A 14 -9.627 7.672 4.646 1.00 0.00 C ATOM 221 O CYS A 14 -10.147 8.444 3.842 1.00 0.00 O ATOM 222 CB CYS A 14 -8.009 6.367 3.194 1.00 0.00 C ATOM 223 SG CYS A 14 -7.782 4.870 2.166 1.00 0.00 S ATOM 0 H CYS A 14 -10.277 5.438 2.644 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.765 5.742 5.059 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.180 7.220 2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.084 6.562 3.736 1.00 0.00 H new ATOM 228 N PRO A 15 -9.420 7.954 5.960 1.00 0.00 N ATOM 229 CA PRO A 15 -9.815 9.234 6.523 1.00 0.00 C ATOM 230 C PRO A 15 -8.847 10.341 6.098 1.00 0.00 C ATOM 231 O PRO A 15 -7.760 10.061 5.596 1.00 0.00 O ATOM 232 CB PRO A 15 -9.840 9.013 8.026 1.00 0.00 C ATOM 233 CG PRO A 15 -9.014 7.761 8.277 1.00 0.00 C ATOM 234 CD PRO A 15 -8.807 7.064 6.942 1.00 0.00 C ATOM 0 HA PRO A 15 -10.790 9.567 6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.421 9.870 8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.861 8.886 8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.055 8.020 8.725 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.525 7.100 8.977 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.748 6.914 6.734 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.276 6.080 6.932 1.00 0.00 H new ATOM 242 N ALA A 16 -9.279 11.575 6.314 1.00 0.00 N ATOM 243 CA ALA A 16 -8.465 12.725 5.960 1.00 0.00 C ATOM 244 C ALA A 16 -7.005 12.441 6.319 1.00 0.00 C ATOM 245 O ALA A 16 -6.720 11.872 7.371 1.00 0.00 O ATOM 246 CB ALA A 16 -9.006 13.971 6.665 1.00 0.00 C ATOM 0 H ALA A 16 -10.182 11.803 6.730 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.511 12.911 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.395 14.834 6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.036 14.146 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.973 13.822 7.744 1.00 0.00 H new ATOM 251 N GLY A 17 -6.118 12.851 5.423 1.00 0.00 N ATOM 252 CA GLY A 17 -4.695 12.648 5.632 1.00 0.00 C ATOM 253 C GLY A 17 -4.148 11.580 4.682 1.00 0.00 C ATOM 254 O GLY A 17 -3.226 11.843 3.912 1.00 0.00 O ATOM 0 H GLY A 17 -6.358 13.323 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.163 13.586 5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.515 12.348 6.664 1.00 0.00 H new ATOM 258 N LYS A 18 -4.740 10.398 4.768 1.00 0.00 N ATOM 259 CA LYS A 18 -4.324 9.289 3.926 1.00 0.00 C ATOM 260 C LYS A 18 -5.269 9.182 2.728 1.00 0.00 C ATOM 261 O LYS A 18 -6.341 8.587 2.829 1.00 0.00 O ATOM 262 CB LYS A 18 -4.222 8.002 4.746 1.00 0.00 C ATOM 263 CG LYS A 18 -5.376 7.896 5.745 1.00 0.00 C ATOM 264 CD LYS A 18 -4.994 8.514 7.091 1.00 0.00 C ATOM 265 CE LYS A 18 -4.661 7.430 8.118 1.00 0.00 C ATOM 266 NZ LYS A 18 -3.389 7.743 8.808 1.00 0.00 N ATOM 0 H LYS A 18 -5.505 10.184 5.408 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.324 9.466 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.233 7.140 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.272 7.980 5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.255 8.401 5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.646 6.849 5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.136 9.173 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.816 9.129 7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.467 7.351 8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.584 6.462 7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.178 6.997 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.619 7.795 8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.475 8.657 9.297 1.00 0.00 H new ATOM 279 N ASN A 19 -4.838 9.768 1.620 1.00 0.00 N ATOM 280 CA ASN A 19 -5.633 9.746 0.404 1.00 0.00 C ATOM 281 C ASN A 19 -5.003 8.772 -0.594 1.00 0.00 C ATOM 282 O ASN A 19 -5.389 8.737 -1.761 1.00 0.00 O ATOM 283 CB ASN A 19 -5.678 11.129 -0.250 1.00 0.00 C ATOM 284 CG ASN A 19 -6.859 11.946 0.277 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.971 11.462 0.412 1.00 0.00 O ATOM 286 ND2 ASN A 19 -6.558 13.208 0.565 1.00 0.00 N ATOM 0 H ASN A 19 -3.949 10.261 1.539 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.645 9.439 0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.747 11.660 -0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.759 11.021 -1.332 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.278 13.835 0.922 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.607 13.549 0.429 1.00 0.00 H new ATOM 293 N LEU A 20 -4.044 8.004 -0.097 1.00 0.00 N ATOM 294 CA LEU A 20 -3.358 7.031 -0.931 1.00 0.00 C ATOM 295 C LEU A 20 -3.350 5.675 -0.223 1.00 0.00 C ATOM 296 O LEU A 20 -3.012 5.588 0.957 1.00 0.00 O ATOM 297 CB LEU A 20 -1.964 7.537 -1.306 1.00 0.00 C ATOM 298 CG LEU A 20 -1.916 8.670 -2.334 1.00 0.00 C ATOM 299 CD1 LEU A 20 -1.046 9.826 -1.836 1.00 0.00 C ATOM 300 CD2 LEU A 20 -1.455 8.153 -3.699 1.00 0.00 C ATOM 0 H LEU A 20 -3.726 8.036 0.872 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.888 6.895 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.466 7.876 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.386 6.698 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.926 9.059 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.029 10.618 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.457 10.216 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.031 9.469 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.430 8.978 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.458 7.722 -3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.149 7.390 -4.052 1.00 0.00 H new ATOM 310 N CYS A 21 -3.725 4.650 -0.973 1.00 0.00 N ATOM 311 CA CYS A 21 -3.766 3.302 -0.433 1.00 0.00 C ATOM 312 C CYS A 21 -2.408 2.642 -0.684 1.00 0.00 C ATOM 313 O CYS A 21 -1.867 2.729 -1.785 1.00 0.00 O ATOM 314 CB CYS A 21 -4.915 2.487 -1.029 1.00 0.00 C ATOM 315 SG CYS A 21 -6.553 3.299 -0.951 1.00 0.00 S ATOM 0 H CYS A 21 -4.004 4.726 -1.951 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.956 3.344 0.639 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.683 2.267 -2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.973 1.532 -0.507 1.00 0.00 H new ATOM 320 N TYR A 22 -1.897 1.999 0.355 1.00 0.00 N ATOM 321 CA TYR A 22 -0.613 1.325 0.260 1.00 0.00 C ATOM 322 C TYR A 22 -0.748 -0.161 0.597 1.00 0.00 C ATOM 323 O TYR A 22 -1.727 -0.575 1.216 1.00 0.00 O ATOM 324 CB TYR A 22 0.290 1.992 1.300 1.00 0.00 C ATOM 325 CG TYR A 22 0.103 1.458 2.721 1.00 0.00 C ATOM 326 CD1 TYR A 22 0.736 0.295 3.111 1.00 0.00 C ATOM 327 CD2 TYR A 22 -0.699 2.139 3.614 1.00 0.00 C ATOM 328 CE1 TYR A 22 0.560 -0.207 4.448 1.00 0.00 C ATOM 329 CE2 TYR A 22 -0.876 1.636 4.952 1.00 0.00 C ATOM 330 CZ TYR A 22 -0.237 0.488 5.303 1.00 0.00 C ATOM 331 OH TYR A 22 -0.404 0.014 6.567 1.00 0.00 O ATOM 0 H TYR A 22 -2.349 1.930 1.267 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.213 1.400 -0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.330 1.854 1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.098 3.065 1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.364 -0.238 2.412 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.194 3.049 3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.050 -1.116 4.765 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.502 2.159 5.660 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.998 0.613 7.065 1.00 0.00 H new ATOM 341 N LYS A 23 0.251 -0.924 0.176 1.00 0.00 N ATOM 342 CA LYS A 23 0.257 -2.355 0.426 1.00 0.00 C ATOM 343 C LYS A 23 1.694 -2.821 0.663 1.00 0.00 C ATOM 344 O LYS A 23 2.570 -2.595 -0.171 1.00 0.00 O ATOM 345 CB LYS A 23 -0.452 -3.099 -0.708 1.00 0.00 C ATOM 346 CG LYS A 23 0.207 -2.800 -2.056 1.00 0.00 C ATOM 347 CD LYS A 23 -0.846 -2.535 -3.134 1.00 0.00 C ATOM 348 CE LYS A 23 -0.289 -2.830 -4.529 1.00 0.00 C ATOM 349 NZ LYS A 23 -1.368 -2.774 -5.540 1.00 0.00 N ATOM 0 H LYS A 23 1.062 -0.577 -0.337 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.306 -2.587 1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.426 -4.172 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.502 -2.806 -0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.861 -1.933 -1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.833 -3.641 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.724 -3.155 -2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.173 -1.496 -3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.488 -2.107 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.177 -3.815 -4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.959 -2.569 -6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.862 -3.689 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.043 -2.025 -5.286 1.00 0.00 H new ATOM 362 N MET A 24 1.893 -3.464 1.805 1.00 0.00 N ATOM 363 CA MET A 24 3.210 -3.964 2.163 1.00 0.00 C ATOM 364 C MET A 24 3.293 -5.479 1.967 1.00 0.00 C ATOM 365 O MET A 24 2.519 -6.228 2.561 1.00 0.00 O ATOM 366 CB MET A 24 3.506 -3.620 3.624 1.00 0.00 C ATOM 367 CG MET A 24 3.529 -2.106 3.838 1.00 0.00 C ATOM 368 SD MET A 24 3.451 -1.734 5.582 1.00 0.00 S ATOM 369 CE MET A 24 5.182 -1.456 5.918 1.00 0.00 C ATOM 0 H MET A 24 1.164 -3.650 2.494 1.00 0.00 H new ATOM 0 HA MET A 24 3.947 -3.492 1.513 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.750 -4.070 4.267 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.466 -4.046 3.914 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.437 -1.684 3.408 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.687 -1.645 3.321 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.313 -1.210 6.972 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.748 -2.357 5.683 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.544 -0.630 5.305 1.00 0.00 H new ATOM 378 N PHE A 25 4.237 -5.884 1.131 1.00 0.00 N ATOM 379 CA PHE A 25 4.431 -7.297 0.850 1.00 0.00 C ATOM 380 C PHE A 25 5.920 -7.638 0.760 1.00 0.00 C ATOM 381 O PHE A 25 6.727 -6.810 0.340 1.00 0.00 O ATOM 382 CB PHE A 25 3.773 -7.577 -0.503 1.00 0.00 C ATOM 383 CG PHE A 25 4.285 -6.691 -1.640 1.00 0.00 C ATOM 384 CD1 PHE A 25 5.536 -6.879 -2.139 1.00 0.00 C ATOM 385 CD2 PHE A 25 3.489 -5.714 -2.152 1.00 0.00 C ATOM 386 CE1 PHE A 25 6.011 -6.057 -3.194 1.00 0.00 C ATOM 387 CE2 PHE A 25 3.963 -4.892 -3.207 1.00 0.00 C ATOM 388 CZ PHE A 25 5.214 -5.080 -3.706 1.00 0.00 C ATOM 0 H PHE A 25 4.876 -5.259 0.639 1.00 0.00 H new ATOM 0 HA PHE A 25 3.995 -7.899 1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.939 -8.621 -0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.696 -7.440 -0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.168 -7.654 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.496 -5.564 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.004 -6.207 -3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.330 -4.117 -3.614 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.575 -4.454 -4.509 1.00 0.00 H new ATOM 398 N MET A 26 6.239 -8.860 1.160 1.00 0.00 N ATOM 399 CA MET A 26 7.617 -9.322 1.130 1.00 0.00 C ATOM 400 C MET A 26 7.977 -9.883 -0.247 1.00 0.00 C ATOM 401 O MET A 26 7.131 -10.463 -0.926 1.00 0.00 O ATOM 402 CB MET A 26 7.815 -10.406 2.191 1.00 0.00 C ATOM 403 CG MET A 26 7.668 -9.828 3.600 1.00 0.00 C ATOM 404 SD MET A 26 8.121 -11.055 4.814 1.00 0.00 S ATOM 405 CE MET A 26 8.804 -10.000 6.082 1.00 0.00 C ATOM 0 H MET A 26 5.567 -9.545 1.507 1.00 0.00 H new ATOM 0 HA MET A 26 8.270 -8.474 1.338 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.086 -11.202 2.043 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.803 -10.853 2.079 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.300 -8.947 3.708 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.640 -9.505 3.764 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.139 -10.610 6.921 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.650 -9.445 5.677 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.041 -9.300 6.423 1.00 0.00 H new ATOM 414 N VAL A 27 9.234 -9.690 -0.618 1.00 0.00 N ATOM 415 CA VAL A 27 9.717 -10.170 -1.902 1.00 0.00 C ATOM 416 C VAL A 27 9.556 -11.690 -1.967 1.00 0.00 C ATOM 417 O VAL A 27 9.657 -12.283 -3.040 1.00 0.00 O ATOM 418 CB VAL A 27 11.160 -9.712 -2.123 1.00 0.00 C ATOM 419 CG1 VAL A 27 12.104 -10.366 -1.112 1.00 0.00 C ATOM 420 CG2 VAL A 27 11.612 -9.994 -3.557 1.00 0.00 C ATOM 0 H VAL A 27 9.933 -9.208 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 27 9.127 -9.745 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 27 11.196 -8.634 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.123 -10.023 -1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.801 -10.092 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.061 -11.450 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.641 -9.659 -3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.552 -11.064 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.966 -9.460 -4.254 1.00 0.00 H new ATOM 428 N ALA A 28 9.307 -12.277 -0.806 1.00 0.00 N ATOM 429 CA ALA A 28 9.131 -13.716 -0.718 1.00 0.00 C ATOM 430 C ALA A 28 8.385 -14.212 -1.958 1.00 0.00 C ATOM 431 O ALA A 28 8.692 -15.279 -2.486 1.00 0.00 O ATOM 432 CB ALA A 28 8.398 -14.062 0.580 1.00 0.00 C ATOM 0 H ALA A 28 9.223 -11.782 0.082 1.00 0.00 H new ATOM 0 HA ALA A 28 10.097 -14.219 -0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.266 -15.142 0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.983 -13.715 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.422 -13.576 0.588 1.00 0.00 H new ATOM 437 N ALA A 29 7.420 -13.412 -2.388 1.00 0.00 N ATOM 438 CA ALA A 29 6.628 -13.756 -3.557 1.00 0.00 C ATOM 439 C ALA A 29 5.939 -12.497 -4.089 1.00 0.00 C ATOM 440 O ALA A 29 5.627 -11.586 -3.324 1.00 0.00 O ATOM 441 CB ALA A 29 5.630 -14.856 -3.192 1.00 0.00 C ATOM 0 H ALA A 29 7.169 -12.527 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 29 7.265 -14.144 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.036 -15.114 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.170 -15.738 -2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.971 -14.501 -2.399 1.00 0.00 H new ATOM 446 N PRO A 30 5.717 -12.488 -5.430 1.00 0.00 N ATOM 447 CA PRO A 30 5.071 -11.356 -6.074 1.00 0.00 C ATOM 448 C PRO A 30 3.567 -11.349 -5.789 1.00 0.00 C ATOM 449 O PRO A 30 2.866 -10.410 -6.163 1.00 0.00 O ATOM 450 CB PRO A 30 5.395 -11.506 -7.551 1.00 0.00 C ATOM 451 CG PRO A 30 5.813 -12.955 -7.742 1.00 0.00 C ATOM 452 CD PRO A 30 6.073 -13.549 -6.367 1.00 0.00 C ATOM 0 HA PRO A 30 5.428 -10.397 -5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.529 -11.265 -8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.195 -10.827 -7.846 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.032 -13.513 -8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.709 -13.016 -8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.470 -14.442 -6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.116 -13.843 -6.254 1.00 0.00 H new ATOM 460 N HIS A 31 3.117 -12.406 -5.131 1.00 0.00 N ATOM 461 CA HIS A 31 1.710 -12.533 -4.792 1.00 0.00 C ATOM 462 C HIS A 31 1.571 -13.104 -3.379 1.00 0.00 C ATOM 463 O HIS A 31 1.020 -14.188 -3.195 1.00 0.00 O ATOM 464 CB HIS A 31 0.971 -13.365 -5.843 1.00 0.00 C ATOM 465 CG HIS A 31 -0.490 -13.013 -5.989 1.00 0.00 C ATOM 466 ND1 HIS A 31 -1.382 -13.795 -6.702 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.205 -11.957 -5.505 1.00 0.00 C ATOM 468 CE1 HIS A 31 -2.577 -13.225 -6.644 1.00 0.00 C ATOM 469 NE2 HIS A 31 -2.465 -12.086 -5.903 1.00 0.00 N ATOM 0 H HIS A 31 3.702 -13.183 -4.823 1.00 0.00 H new ATOM 0 HA HIS A 31 1.241 -11.549 -4.796 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.464 -13.235 -6.807 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.056 -14.420 -5.582 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.813 -11.153 -4.901 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.481 -13.597 -7.103 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -3.224 -11.439 -5.690 1.00 0.00 H new ATOM 477 N VAL A 32 2.081 -12.349 -2.418 1.00 0.00 N ATOM 478 CA VAL A 32 2.022 -12.765 -1.027 1.00 0.00 C ATOM 479 C VAL A 32 2.138 -11.535 -0.125 1.00 0.00 C ATOM 480 O VAL A 32 3.205 -11.263 0.424 1.00 0.00 O ATOM 481 CB VAL A 32 3.099 -13.815 -0.749 1.00 0.00 C ATOM 482 CG1 VAL A 32 3.342 -13.967 0.754 1.00 0.00 C ATOM 483 CG2 VAL A 32 2.733 -15.158 -1.383 1.00 0.00 C ATOM 0 H VAL A 32 2.538 -11.451 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 32 1.064 -13.237 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 32 4.027 -13.471 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.112 -14.720 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.669 -13.013 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.418 -14.277 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.516 -15.886 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.788 -15.510 -0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.635 -15.036 -2.462 1.00 0.00 H new ATOM 491 N PRO A 33 0.997 -10.806 0.003 1.00 0.00 N ATOM 492 CA PRO A 33 0.962 -9.611 0.829 1.00 0.00 C ATOM 493 C PRO A 33 0.938 -9.973 2.315 1.00 0.00 C ATOM 494 O PRO A 33 0.288 -10.939 2.713 1.00 0.00 O ATOM 495 CB PRO A 33 -0.282 -8.860 0.381 1.00 0.00 C ATOM 496 CG PRO A 33 -1.144 -9.879 -0.347 1.00 0.00 C ATOM 497 CD PRO A 33 -0.284 -11.099 -0.633 1.00 0.00 C ATOM 0 HA PRO A 33 1.850 -8.991 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.812 -8.438 1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.022 -8.029 -0.275 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.006 -10.154 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.530 -9.458 -1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.732 -12.004 -0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.167 -11.259 -1.705 1.00 0.00 H new ATOM 505 N VAL A 34 1.656 -9.179 3.096 1.00 0.00 N ATOM 506 CA VAL A 34 1.726 -9.403 4.530 1.00 0.00 C ATOM 507 C VAL A 34 0.612 -8.614 5.220 1.00 0.00 C ATOM 508 O VAL A 34 0.024 -9.084 6.193 1.00 0.00 O ATOM 509 CB VAL A 34 3.120 -9.046 5.048 1.00 0.00 C ATOM 510 CG1 VAL A 34 3.491 -7.608 4.680 1.00 0.00 C ATOM 511 CG2 VAL A 34 3.217 -9.267 6.559 1.00 0.00 C ATOM 0 H VAL A 34 2.195 -8.379 2.763 1.00 0.00 H new ATOM 0 HA VAL A 34 1.569 -10.457 4.760 1.00 0.00 H new ATOM 0 HB VAL A 34 3.836 -9.711 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.487 -7.380 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.482 -7.496 3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.768 -6.922 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.218 -9.006 6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.485 -8.639 7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.017 -10.314 6.787 1.00 0.00 H new ATOM 519 N LYS A 35 0.355 -7.427 4.690 1.00 0.00 N ATOM 520 CA LYS A 35 -0.678 -6.568 5.243 1.00 0.00 C ATOM 521 C LYS A 35 -0.879 -5.362 4.323 1.00 0.00 C ATOM 522 O LYS A 35 -0.118 -5.164 3.378 1.00 0.00 O ATOM 523 CB LYS A 35 -0.345 -6.190 6.688 1.00 0.00 C ATOM 524 CG LYS A 35 0.814 -5.192 6.740 1.00 0.00 C ATOM 525 CD LYS A 35 0.392 -3.898 7.439 1.00 0.00 C ATOM 526 CE LYS A 35 1.495 -3.394 8.371 1.00 0.00 C ATOM 527 NZ LYS A 35 1.317 -1.952 8.652 1.00 0.00 N ATOM 0 H LYS A 35 0.845 -7.040 3.883 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.630 -7.098 5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.224 -5.758 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.084 -7.086 7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.658 -5.636 7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.153 -4.969 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.164 -3.136 6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.521 -4.070 8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.477 -3.957 9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.470 -3.564 7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.247 -1.507 8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.831 -1.500 7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.748 -1.834 9.514 1.00 0.00 H new ATOM 540 N ARG A 36 -1.907 -4.559 4.605 1.00 0.00 N ATOM 541 CA ARG A 36 -2.204 -3.386 3.809 1.00 0.00 C ATOM 542 C ARG A 36 -2.955 -2.366 4.653 1.00 0.00 C ATOM 543 O ARG A 36 -3.415 -2.682 5.747 1.00 0.00 O ATOM 544 CB ARG A 36 -3.030 -3.793 2.592 1.00 0.00 C ATOM 545 CG ARG A 36 -2.216 -4.745 1.720 1.00 0.00 C ATOM 546 CD ARG A 36 -3.048 -5.167 0.513 1.00 0.00 C ATOM 547 NE ARG A 36 -4.011 -6.207 0.876 1.00 0.00 N ATOM 548 CZ ARG A 36 -4.531 -7.059 -0.017 1.00 0.00 C ATOM 549 NH1 ARG A 36 -4.171 -6.981 -1.306 1.00 0.00 N ATOM 550 NH2 ARG A 36 -5.411 -7.990 0.377 1.00 0.00 N ATOM 0 H ARG A 36 -2.546 -4.709 5.386 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.275 -2.931 3.466 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.954 -4.275 2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.313 -2.910 2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.298 -4.258 1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.922 -5.622 2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.576 -4.302 0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.391 -5.534 -0.275 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.299 -6.287 1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.501 -6.273 -1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.567 -7.630 -1.986 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.685 -8.050 1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.807 -8.638 -0.304 1.00 0.00 H new ATOM 564 N GLY A 37 -3.057 -1.159 4.114 1.00 0.00 N ATOM 565 CA GLY A 37 -3.749 -0.087 4.809 1.00 0.00 C ATOM 566 C GLY A 37 -3.675 1.219 4.015 1.00 0.00 C ATOM 567 O GLY A 37 -3.224 1.229 2.870 1.00 0.00 O ATOM 0 H GLY A 37 -2.672 -0.901 3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.792 -0.363 4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.307 0.057 5.795 1.00 0.00 H new ATOM 571 N CYS A 38 -4.125 2.289 4.653 1.00 0.00 N ATOM 572 CA CYS A 38 -4.115 3.597 4.021 1.00 0.00 C ATOM 573 C CYS A 38 -2.984 4.422 4.639 1.00 0.00 C ATOM 574 O CYS A 38 -2.564 4.159 5.765 1.00 0.00 O ATOM 575 CB CYS A 38 -5.469 4.298 4.150 1.00 0.00 C ATOM 576 SG CYS A 38 -6.831 3.514 3.212 1.00 0.00 S ATOM 0 H CYS A 38 -4.499 2.277 5.602 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.938 3.485 2.951 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.745 4.333 5.204 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.362 5.329 3.814 1.00 0.00 H new ATOM 581 N ILE A 39 -2.524 5.402 3.876 1.00 0.00 N ATOM 582 CA ILE A 39 -1.451 6.267 4.336 1.00 0.00 C ATOM 583 C ILE A 39 -1.452 7.556 3.511 1.00 0.00 C ATOM 584 O ILE A 39 -2.301 7.739 2.640 1.00 0.00 O ATOM 585 CB ILE A 39 -0.115 5.522 4.311 1.00 0.00 C ATOM 586 CG1 ILE A 39 0.780 5.961 5.471 1.00 0.00 C ATOM 587 CG2 ILE A 39 0.580 5.687 2.957 1.00 0.00 C ATOM 588 CD1 ILE A 39 0.871 4.868 6.538 1.00 0.00 C ATOM 0 H ILE A 39 -2.874 5.616 2.942 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.611 6.553 5.376 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.315 4.459 4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.777 6.193 5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.385 6.875 5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.527 5.148 2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.058 5.286 2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.766 6.745 2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.513 5.206 7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.125 4.655 6.927 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.290 3.963 6.097 1.00 0.00 H new ATOM 598 N ASP A 40 -0.496 8.445 3.790 1.00 0.00 N ATOM 599 CA ASP A 40 -0.392 9.704 3.080 1.00 0.00 C ATOM 600 C ASP A 40 0.819 9.676 2.158 1.00 0.00 C ATOM 601 O ASP A 40 0.717 10.031 0.986 1.00 0.00 O ATOM 602 CB ASP A 40 -0.281 10.846 4.085 1.00 0.00 C ATOM 603 CG ASP A 40 0.625 10.462 5.246 1.00 0.00 C ATOM 604 OD1 ASP A 40 0.071 10.026 6.278 1.00 0.00 O ATOM 605 OD2 ASP A 40 1.855 10.613 5.080 1.00 0.00 O ATOM 0 H ASP A 40 0.216 8.307 4.507 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.283 9.859 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.112 11.734 3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.271 11.102 4.461 1.00 0.00 H new ATOM 611 N VAL A 41 1.942 9.251 2.720 1.00 0.00 N ATOM 612 CA VAL A 41 3.176 9.173 1.958 1.00 0.00 C ATOM 613 C VAL A 41 3.632 7.714 1.881 1.00 0.00 C ATOM 614 O VAL A 41 3.361 6.927 2.787 1.00 0.00 O ATOM 615 CB VAL A 41 4.230 10.097 2.571 1.00 0.00 C ATOM 616 CG1 VAL A 41 3.755 11.552 2.561 1.00 0.00 C ATOM 617 CG2 VAL A 41 4.594 9.649 3.988 1.00 0.00 C ATOM 0 H VAL A 41 2.022 8.957 3.694 1.00 0.00 H new ATOM 0 HA VAL A 41 3.016 9.518 0.937 1.00 0.00 H new ATOM 0 HB VAL A 41 5.129 10.033 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.522 12.188 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.569 11.867 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.835 11.638 3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.345 10.323 4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.703 9.670 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.993 8.635 3.958 1.00 0.00 H new ATOM 625 N CYS A 42 4.317 7.398 0.792 1.00 0.00 N ATOM 626 CA CYS A 42 4.813 6.048 0.586 1.00 0.00 C ATOM 627 C CYS A 42 6.256 5.984 1.091 1.00 0.00 C ATOM 628 O CYS A 42 7.062 6.863 0.791 1.00 0.00 O ATOM 629 CB CYS A 42 4.702 5.622 -0.879 1.00 0.00 C ATOM 630 SG CYS A 42 4.175 3.889 -1.137 1.00 0.00 S ATOM 0 H CYS A 42 4.540 8.054 0.043 1.00 0.00 H new ATOM 0 HA CYS A 42 4.201 5.343 1.148 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.994 6.281 -1.382 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.669 5.768 -1.359 1.00 0.00 H new ATOM 635 N PRO A 43 6.545 4.907 1.870 1.00 0.00 N ATOM 636 CA PRO A 43 7.876 4.717 2.420 1.00 0.00 C ATOM 637 C PRO A 43 8.852 4.242 1.341 1.00 0.00 C ATOM 638 O PRO A 43 8.435 3.758 0.290 1.00 0.00 O ATOM 639 CB PRO A 43 7.698 3.709 3.543 1.00 0.00 C ATOM 640 CG PRO A 43 6.366 3.025 3.282 1.00 0.00 C ATOM 641 CD PRO A 43 5.615 3.846 2.246 1.00 0.00 C ATOM 0 HA PRO A 43 8.310 5.642 2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.513 2.986 3.551 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.700 4.203 4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.523 2.008 2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.788 2.952 4.203 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.338 3.239 1.384 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.692 4.255 2.658 1.00 0.00 H new ATOM 649 N LYS A 44 10.134 4.398 1.638 1.00 0.00 N ATOM 650 CA LYS A 44 11.173 3.992 0.707 1.00 0.00 C ATOM 651 C LYS A 44 11.123 2.473 0.524 1.00 0.00 C ATOM 652 O LYS A 44 10.877 1.738 1.479 1.00 0.00 O ATOM 653 CB LYS A 44 12.537 4.511 1.166 1.00 0.00 C ATOM 654 CG LYS A 44 13.656 3.981 0.267 1.00 0.00 C ATOM 655 CD LYS A 44 14.879 4.900 0.314 1.00 0.00 C ATOM 656 CE LYS A 44 15.475 5.090 -1.082 1.00 0.00 C ATOM 657 NZ LYS A 44 16.826 5.688 -0.991 1.00 0.00 N ATOM 0 H LYS A 44 10.477 4.800 2.511 1.00 0.00 H new ATOM 0 HA LYS A 44 11.001 4.438 -0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.539 5.601 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.718 4.206 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.938 2.977 0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.296 3.901 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.595 5.868 0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.631 4.477 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.530 4.130 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.826 5.732 -1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.217 5.810 -1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.765 6.614 -0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.447 5.061 -0.441 1.00 0.00 H new ATOM 670 N SER A 45 11.360 2.049 -0.708 1.00 0.00 N ATOM 671 CA SER A 45 11.345 0.632 -1.028 1.00 0.00 C ATOM 672 C SER A 45 12.730 0.027 -0.790 1.00 0.00 C ATOM 673 O SER A 45 13.745 0.689 -1.002 1.00 0.00 O ATOM 674 CB SER A 45 10.905 0.398 -2.475 1.00 0.00 C ATOM 675 OG SER A 45 9.532 0.026 -2.562 1.00 0.00 O ATOM 0 H SER A 45 11.564 2.662 -1.497 1.00 0.00 H new ATOM 0 HA SER A 45 10.624 0.142 -0.374 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.072 1.305 -3.056 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.521 -0.384 -2.919 1.00 0.00 H new ATOM 0 HG SER A 45 9.290 -0.113 -3.501 1.00 0.00 H new ATOM 681 N SER A 46 12.727 -1.224 -0.353 1.00 0.00 N ATOM 682 CA SER A 46 13.971 -1.925 -0.084 1.00 0.00 C ATOM 683 C SER A 46 14.020 -3.229 -0.882 1.00 0.00 C ATOM 684 O SER A 46 13.048 -3.593 -1.543 1.00 0.00 O ATOM 685 CB SER A 46 14.130 -2.211 1.411 1.00 0.00 C ATOM 686 OG SER A 46 13.205 -3.195 1.867 1.00 0.00 O ATOM 0 H SER A 46 11.883 -1.770 -0.179 1.00 0.00 H new ATOM 0 HA SER A 46 14.798 -1.286 -0.394 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.147 -2.550 1.609 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.986 -1.289 1.974 1.00 0.00 H new ATOM 0 HG SER A 46 12.393 -3.160 1.319 1.00 0.00 H new ATOM 692 N LEU A 47 15.160 -3.897 -0.795 1.00 0.00 N ATOM 693 CA LEU A 47 15.348 -5.153 -1.501 1.00 0.00 C ATOM 694 C LEU A 47 14.542 -6.251 -0.804 1.00 0.00 C ATOM 695 O LEU A 47 13.717 -6.914 -1.432 1.00 0.00 O ATOM 696 CB LEU A 47 16.838 -5.475 -1.634 1.00 0.00 C ATOM 697 CG LEU A 47 17.571 -4.791 -2.790 1.00 0.00 C ATOM 698 CD1 LEU A 47 19.085 -4.979 -2.665 1.00 0.00 C ATOM 699 CD2 LEU A 47 17.042 -5.279 -4.140 1.00 0.00 C ATOM 0 H LEU A 47 15.964 -3.592 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 47 14.969 -5.077 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.333 -5.201 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.948 -6.553 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 47 17.373 -3.720 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.583 -4.484 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.429 -4.545 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.322 -6.043 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.580 -4.777 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.190 -6.356 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.979 -5.052 -4.218 1.00 0.00 H new ATOM 709 N LEU A 48 14.807 -6.408 0.484 1.00 0.00 N ATOM 710 CA LEU A 48 14.116 -7.414 1.273 1.00 0.00 C ATOM 711 C LEU A 48 12.607 -7.270 1.067 1.00 0.00 C ATOM 712 O LEU A 48 11.963 -8.166 0.524 1.00 0.00 O ATOM 713 CB LEU A 48 14.547 -7.334 2.739 1.00 0.00 C ATOM 714 CG LEU A 48 14.397 -8.621 3.554 1.00 0.00 C ATOM 715 CD1 LEU A 48 15.720 -9.387 3.616 1.00 0.00 C ATOM 716 CD2 LEU A 48 13.840 -8.326 4.948 1.00 0.00 C ATOM 0 H LEU A 48 15.491 -5.856 1.001 1.00 0.00 H new ATOM 0 HA LEU A 48 14.390 -8.415 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.592 -7.025 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.967 -6.550 3.225 1.00 0.00 H new ATOM 0 HG LEU A 48 13.676 -9.263 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.586 -10.297 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.037 -9.648 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.480 -8.763 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.743 -9.257 5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.518 -7.655 5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.861 -7.855 4.857 1.00 0.00 H new ATOM 726 N VAL A 49 12.087 -6.135 1.512 1.00 0.00 N ATOM 727 CA VAL A 49 10.666 -5.862 1.382 1.00 0.00 C ATOM 728 C VAL A 49 10.463 -4.667 0.448 1.00 0.00 C ATOM 729 O VAL A 49 11.390 -3.892 0.217 1.00 0.00 O ATOM 730 CB VAL A 49 10.046 -5.652 2.765 1.00 0.00 C ATOM 731 CG1 VAL A 49 8.549 -5.351 2.655 1.00 0.00 C ATOM 732 CG2 VAL A 49 10.297 -6.861 3.669 1.00 0.00 C ATOM 0 H VAL A 49 12.624 -5.394 1.963 1.00 0.00 H new ATOM 0 HA VAL A 49 10.153 -6.714 0.935 1.00 0.00 H new ATOM 0 HB VAL A 49 10.529 -4.788 3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.133 -5.206 3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.402 -4.446 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.045 -6.186 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.846 -6.685 4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.854 -7.750 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 49 11.370 -7.011 3.787 1.00 0.00 H new ATOM 740 N LYS A 50 9.246 -4.556 -0.063 1.00 0.00 N ATOM 741 CA LYS A 50 8.910 -3.469 -0.966 1.00 0.00 C ATOM 742 C LYS A 50 7.477 -3.008 -0.692 1.00 0.00 C ATOM 743 O LYS A 50 6.662 -3.773 -0.179 1.00 0.00 O ATOM 744 CB LYS A 50 9.155 -3.884 -2.419 1.00 0.00 C ATOM 745 CG LYS A 50 10.257 -3.034 -3.053 1.00 0.00 C ATOM 746 CD LYS A 50 10.008 -2.842 -4.551 1.00 0.00 C ATOM 747 CE LYS A 50 11.009 -3.647 -5.381 1.00 0.00 C ATOM 748 NZ LYS A 50 10.314 -4.702 -6.152 1.00 0.00 N ATOM 0 H LYS A 50 8.480 -5.201 0.131 1.00 0.00 H new ATOM 0 HA LYS A 50 9.560 -2.612 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.435 -4.937 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.234 -3.778 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.301 -2.063 -2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.224 -3.513 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.993 -3.153 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.088 -1.785 -4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.543 -2.983 -6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.754 -4.098 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.008 -5.239 -6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.824 -5.345 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.620 -4.265 -6.791 1.00 0.00 H new ATOM 761 N TYR A 51 7.214 -1.758 -1.045 1.00 0.00 N ATOM 762 CA TYR A 51 5.894 -1.186 -0.844 1.00 0.00 C ATOM 763 C TYR A 51 5.419 -0.448 -2.097 1.00 0.00 C ATOM 764 O TYR A 51 6.229 0.096 -2.846 1.00 0.00 O ATOM 765 CB TYR A 51 6.040 -0.181 0.301 1.00 0.00 C ATOM 766 CG TYR A 51 6.961 -0.653 1.429 1.00 0.00 C ATOM 767 CD1 TYR A 51 6.751 -1.881 2.023 1.00 0.00 C ATOM 768 CD2 TYR A 51 8.000 0.150 1.852 1.00 0.00 C ATOM 769 CE1 TYR A 51 7.617 -2.324 3.084 1.00 0.00 C ATOM 770 CE2 TYR A 51 8.866 -0.293 2.914 1.00 0.00 C ATOM 771 CZ TYR A 51 8.632 -1.509 3.477 1.00 0.00 C ATOM 772 OH TYR A 51 9.450 -1.927 4.480 1.00 0.00 O ATOM 0 H TYR A 51 7.893 -1.126 -1.469 1.00 0.00 H new ATOM 0 HA TYR A 51 5.167 -1.968 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.424 0.757 -0.099 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.054 0.029 0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.937 -2.509 1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.164 1.111 1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.464 -3.283 3.557 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.682 0.326 3.256 1.00 0.00 H new ATOM 0 HH TYR A 51 10.130 -1.243 4.654 1.00 0.00 H new ATOM 782 N VAL A 52 4.107 -0.452 -2.286 1.00 0.00 N ATOM 783 CA VAL A 52 3.515 0.211 -3.435 1.00 0.00 C ATOM 784 C VAL A 52 2.388 1.132 -2.963 1.00 0.00 C ATOM 785 O VAL A 52 1.808 0.913 -1.901 1.00 0.00 O ATOM 786 CB VAL A 52 3.049 -0.829 -4.456 1.00 0.00 C ATOM 787 CG1 VAL A 52 2.063 -0.216 -5.453 1.00 0.00 C ATOM 788 CG2 VAL A 52 4.240 -1.460 -5.180 1.00 0.00 C ATOM 0 H VAL A 52 3.438 -0.904 -1.663 1.00 0.00 H new ATOM 0 HA VAL A 52 4.254 0.834 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 52 2.530 -1.620 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.748 -0.977 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.192 0.162 -4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.546 0.604 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.880 -2.195 -5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.800 -0.685 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.889 -1.950 -4.454 1.00 0.00 H new ATOM 796 N CYS A 53 2.113 2.142 -3.775 1.00 0.00 N ATOM 797 CA CYS A 53 1.066 3.097 -3.453 1.00 0.00 C ATOM 798 C CYS A 53 0.310 3.432 -4.740 1.00 0.00 C ATOM 799 O CYS A 53 0.841 3.266 -5.838 1.00 0.00 O ATOM 800 CB CYS A 53 1.631 4.349 -2.780 1.00 0.00 C ATOM 801 SG CYS A 53 2.114 4.127 -1.029 1.00 0.00 S ATOM 0 H CYS A 53 2.597 2.320 -4.655 1.00 0.00 H new ATOM 0 HA CYS A 53 0.377 2.657 -2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.502 4.685 -3.343 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.887 5.143 -2.839 1.00 0.00 H new ATOM 806 N CYS A 54 -0.917 3.899 -4.564 1.00 0.00 N ATOM 807 CA CYS A 54 -1.751 4.260 -5.697 1.00 0.00 C ATOM 808 C CYS A 54 -2.970 5.023 -5.174 1.00 0.00 C ATOM 809 O CYS A 54 -3.475 4.726 -4.092 1.00 0.00 O ATOM 810 CB CYS A 54 -2.155 3.032 -6.516 1.00 0.00 C ATOM 811 SG CYS A 54 -2.159 1.457 -5.585 1.00 0.00 S ATOM 0 H CYS A 54 -1.354 4.036 -3.653 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.188 4.900 -6.376 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.151 3.198 -6.926 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.474 2.936 -7.362 1.00 0.00 H new ATOM 816 N ASN A 55 -3.406 5.992 -5.965 1.00 0.00 N ATOM 817 CA ASN A 55 -4.556 6.799 -5.595 1.00 0.00 C ATOM 818 C ASN A 55 -5.745 6.423 -6.482 1.00 0.00 C ATOM 819 O ASN A 55 -6.157 7.204 -7.337 1.00 0.00 O ATOM 820 CB ASN A 55 -4.270 8.289 -5.794 1.00 0.00 C ATOM 821 CG ASN A 55 -3.926 8.590 -7.254 1.00 0.00 C ATOM 822 OD1 ASN A 55 -3.364 7.775 -7.968 1.00 0.00 O ATOM 823 ND2 ASN A 55 -4.292 9.803 -7.657 1.00 0.00 N ATOM 0 H ASN A 55 -2.984 6.237 -6.861 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.776 6.611 -4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.140 8.873 -5.493 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.444 8.594 -5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.106 10.100 -8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.759 10.437 -7.008 1.00 0.00 H new ATOM 830 N THR A 56 -6.262 5.226 -6.247 1.00 0.00 N ATOM 831 CA THR A 56 -7.395 4.737 -7.013 1.00 0.00 C ATOM 832 C THR A 56 -8.241 3.783 -6.166 1.00 0.00 C ATOM 833 O THR A 56 -7.743 3.189 -5.211 1.00 0.00 O ATOM 834 CB THR A 56 -6.858 4.097 -8.295 1.00 0.00 C ATOM 835 OG1 THR A 56 -6.110 2.974 -7.836 1.00 0.00 O ATOM 836 CG2 THR A 56 -5.820 4.975 -8.997 1.00 0.00 C ATOM 0 H THR A 56 -5.917 4.580 -5.537 1.00 0.00 H new ATOM 0 HA THR A 56 -8.063 5.551 -7.294 1.00 0.00 H new ATOM 0 HB THR A 56 -7.686 3.899 -8.976 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.727 2.500 -8.604 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.471 4.475 -9.900 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.272 5.931 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.976 5.146 -8.328 1.00 0.00 H new ATOM 843 N ASP A 57 -9.519 3.642 -6.522 1.00 0.00 N ATOM 844 CA ASP A 57 -10.422 2.769 -5.799 1.00 0.00 C ATOM 845 C ASP A 57 -9.999 1.319 -5.988 1.00 0.00 C ATOM 846 O ASP A 57 -9.898 0.843 -7.117 1.00 0.00 O ATOM 847 CB ASP A 57 -11.847 2.986 -6.298 1.00 0.00 C ATOM 848 CG ASP A 57 -12.611 3.922 -5.372 1.00 0.00 C ATOM 849 OD1 ASP A 57 -12.089 4.176 -4.265 1.00 0.00 O ATOM 850 OD2 ASP A 57 -13.703 4.366 -5.788 1.00 0.00 O ATOM 0 H ASP A 57 -9.946 4.127 -7.311 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.385 3.002 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.824 3.403 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.364 2.029 -6.361 1.00 0.00 H new ATOM 856 N LYS A 58 -9.761 0.653 -4.868 1.00 0.00 N ATOM 857 CA LYS A 58 -9.348 -0.740 -4.899 1.00 0.00 C ATOM 858 C LYS A 58 -8.024 -0.858 -5.657 1.00 0.00 C ATOM 859 O LYS A 58 -7.899 -1.671 -6.572 1.00 0.00 O ATOM 860 CB LYS A 58 -10.465 -1.616 -5.472 1.00 0.00 C ATOM 861 CG LYS A 58 -11.501 -1.955 -4.398 1.00 0.00 C ATOM 862 CD LYS A 58 -12.679 -2.726 -4.997 1.00 0.00 C ATOM 863 CE LYS A 58 -13.898 -2.668 -4.073 1.00 0.00 C ATOM 864 NZ LYS A 58 -15.103 -3.162 -4.775 1.00 0.00 N ATOM 0 H LYS A 58 -9.846 1.052 -3.933 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.171 -1.108 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.950 -1.098 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.040 -2.535 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.035 -2.549 -3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.861 -1.038 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.935 -2.307 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.392 -3.765 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.716 -3.270 -3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.059 -1.643 -3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.921 -3.116 -4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.284 -2.571 -5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.952 -4.147 -5.073 1.00 0.00 H new ATOM 877 N CYS A 59 -7.070 -0.036 -5.248 1.00 0.00 N ATOM 878 CA CYS A 59 -5.760 -0.038 -5.876 1.00 0.00 C ATOM 879 C CYS A 59 -4.878 -1.053 -5.146 1.00 0.00 C ATOM 880 O CYS A 59 -4.180 -1.844 -5.779 1.00 0.00 O ATOM 881 CB CYS A 59 -5.135 1.358 -5.886 1.00 0.00 C ATOM 882 SG CYS A 59 -3.931 1.670 -4.544 1.00 0.00 S ATOM 0 H CYS A 59 -7.178 0.637 -4.489 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.857 -0.328 -6.922 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.638 1.511 -6.844 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.932 2.098 -5.819 1.00 0.00 H new ATOM 887 N ASN A 60 -4.939 -0.998 -3.823 1.00 0.00 N ATOM 888 CA ASN A 60 -4.155 -1.902 -3.000 1.00 0.00 C ATOM 889 C ASN A 60 -4.969 -3.167 -2.721 1.00 0.00 C ATOM 890 O ASN A 60 -4.767 -4.195 -3.366 1.00 0.00 O ATOM 891 CB ASN A 60 -3.804 -1.260 -1.656 1.00 0.00 C ATOM 892 CG ASN A 60 -5.003 -1.288 -0.706 1.00 0.00 C ATOM 893 OD1 ASN A 60 -6.146 -1.424 -1.111 1.00 0.00 O ATOM 894 ND2 ASN A 60 -4.680 -1.151 0.577 1.00 0.00 N ATOM 0 H ASN A 60 -5.519 -0.341 -3.301 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.237 -2.137 -3.538 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.965 -1.789 -1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.484 -0.230 -1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.409 -1.156 1.290 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.703 -1.041 0.848 1.00 0.00 H new