USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 381 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 30:sc= 0.0844 USER MOD Set 1.2: A 24 GLN : amide:sc= -1.02 K(o=-0.85,f=-2.1!) USER MOD Set 1.3: A 36 THR OG1 : rot -55:sc= 0.082 USER MOD Set 2.1: A 6 GLN :FLIP amide:sc= 0.108 F(o=-7.3,f=-5.4) USER MOD Set 2.2: A 21 THR OG1 : rot 130:sc= -0.541 USER MOD Set 2.3: A 41 ASN :FLIP amide:sc= -4.94! C(o=-7.3!,f=-5.4!) USER MOD Single : A 1 LYS N :NH3+ 162:sc= -0.102 (180deg=-0.842) USER MOD Single : A 1 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.175) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 142:sc= -0.401 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= 0.592 (180deg=0.0141) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.532 X(o=-0.53,f=-0.17) USER MOD Single : A 20 CYS SG : rot 160:sc= -1.73 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 29 SER OG : rot 160:sc= -0.107 USER MOD Single : A 34 MET CE :methyl -154:sc= 0 (180deg=-0.281) USER MOD Single : A 35 THR OG1 : rot 150:sc= 0.0875 USER MOD Single : A 40 CYS SG : rot 172:sc= -3.33! USER MOD Single : A 45 ASN : amide:sc= -1.98 K(o=-2,f=-2.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 86:sc= 0.367 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.656 6.202 13.624 1.00 0.00 N ATOM 2 CA LYS A 1 -0.454 5.377 14.189 1.00 0.00 C ATOM 3 C LYS A 1 -1.773 5.745 13.489 1.00 0.00 C ATOM 4 O LYS A 1 -2.819 5.853 14.101 1.00 0.00 O ATOM 5 CB LYS A 1 -0.566 5.637 15.721 1.00 0.00 C ATOM 6 CG LYS A 1 -0.738 7.161 15.984 1.00 0.00 C ATOM 7 CD LYS A 1 -0.920 7.422 17.489 1.00 0.00 C ATOM 8 CE LYS A 1 -0.754 8.932 17.774 1.00 0.00 C ATOM 9 NZ LYS A 1 -1.701 9.747 16.958 1.00 0.00 N ATOM 0 H1 LYS A 1 1.466 6.188 14.277 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.946 5.811 12.705 1.00 0.00 H new ATOM 0 H3 LYS A 1 0.331 7.182 13.497 1.00 0.00 H new ATOM 0 HA LYS A 1 -0.248 4.319 14.023 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -1.415 5.089 16.131 1.00 0.00 H new ATOM 0 HB3 LYS A 1 0.326 5.269 16.228 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.134 7.702 15.616 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -1.601 7.537 15.435 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -1.906 7.087 17.810 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -0.187 6.851 18.059 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.925 9.125 18.833 1.00 0.00 H new ATOM 0 HE3 LYS A 1 0.270 9.235 17.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -1.699 10.729 17.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -1.405 9.728 15.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.660 9.353 17.042 1.00 0.00 H new ATOM 25 N THR A 2 -1.653 5.920 12.199 1.00 0.00 N ATOM 26 CA THR A 2 -2.811 6.280 11.334 1.00 0.00 C ATOM 27 C THR A 2 -2.906 5.189 10.257 1.00 0.00 C ATOM 28 O THR A 2 -2.655 5.410 9.086 1.00 0.00 O ATOM 29 CB THR A 2 -2.549 7.665 10.710 1.00 0.00 C ATOM 30 OG1 THR A 2 -2.323 8.529 11.817 1.00 0.00 O ATOM 31 CG2 THR A 2 -3.834 8.203 10.069 1.00 0.00 C ATOM 0 H THR A 2 -0.771 5.825 11.696 1.00 0.00 H new ATOM 0 HA THR A 2 -3.747 6.337 11.889 1.00 0.00 H new ATOM 0 HB THR A 2 -1.740 7.608 9.981 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.146 9.437 11.493 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.640 9.182 9.631 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.167 7.517 9.291 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.610 8.294 10.829 1.00 0.00 H new ATOM 39 N GLY A 3 -3.266 4.025 10.727 1.00 0.00 N ATOM 40 CA GLY A 3 -3.411 2.844 9.833 1.00 0.00 C ATOM 41 C GLY A 3 -4.819 2.255 9.870 1.00 0.00 C ATOM 42 O GLY A 3 -5.698 2.724 10.566 1.00 0.00 O ATOM 0 H GLY A 3 -3.469 3.842 11.710 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.168 3.134 8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.692 2.079 10.127 1.00 0.00 H new ATOM 46 N GLY A 4 -4.952 1.224 9.083 1.00 0.00 N ATOM 47 CA GLY A 4 -6.231 0.470 8.945 1.00 0.00 C ATOM 48 C GLY A 4 -5.946 -0.964 9.384 1.00 0.00 C ATOM 49 O GLY A 4 -6.728 -1.593 10.068 1.00 0.00 O ATOM 0 H GLY A 4 -4.194 0.859 8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.011 0.916 9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.586 0.496 7.915 1.00 0.00 H new ATOM 53 N THR A 5 -4.798 -1.412 8.948 1.00 0.00 N ATOM 54 CA THR A 5 -4.297 -2.783 9.245 1.00 0.00 C ATOM 55 C THR A 5 -2.804 -2.724 9.577 1.00 0.00 C ATOM 56 O THR A 5 -2.318 -3.446 10.424 1.00 0.00 O ATOM 57 CB THR A 5 -4.536 -3.672 8.017 1.00 0.00 C ATOM 58 OG1 THR A 5 -5.950 -3.798 7.940 1.00 0.00 O ATOM 59 CG2 THR A 5 -4.022 -5.112 8.234 1.00 0.00 C ATOM 0 H THR A 5 -4.163 -0.858 8.374 1.00 0.00 H new ATOM 0 HA THR A 5 -4.826 -3.199 10.102 1.00 0.00 H new ATOM 0 HB THR A 5 -4.040 -3.239 7.148 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.187 -4.357 7.171 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.212 -5.705 7.339 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.951 -5.090 8.433 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.540 -5.559 9.083 1.00 0.00 H new ATOM 67 N GLN A 6 -2.141 -1.845 8.869 1.00 0.00 N ATOM 68 CA GLN A 6 -0.665 -1.603 9.002 1.00 0.00 C ATOM 69 C GLN A 6 0.063 -2.825 8.406 1.00 0.00 C ATOM 70 O GLN A 6 1.196 -3.120 8.732 1.00 0.00 O ATOM 71 CB GLN A 6 -0.289 -1.404 10.508 1.00 0.00 C ATOM 72 CG GLN A 6 -1.278 -0.386 11.117 1.00 0.00 C ATOM 73 CD GLN A 6 -0.711 0.232 12.394 1.00 0.00 C ATOM 74 OE1 GLN A 6 -0.436 1.505 12.355 1.00 0.00 O flip ATOM 75 NE2 GLN A 6 -0.522 -0.411 13.407 1.00 0.00 N flip ATOM 0 H GLN A 6 -2.585 -1.254 8.167 1.00 0.00 H new ATOM 0 HA GLN A 6 -0.369 -0.699 8.469 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.342 -2.353 11.042 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.735 -1.042 10.600 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.490 0.400 10.392 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.224 -0.880 11.337 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.741 -1.407 13.427 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.145 0.045 14.238 1.00 0.00 H new ATOM 84 N THR A 7 -0.682 -3.463 7.533 1.00 0.00 N ATOM 85 CA THR A 7 -0.313 -4.688 6.760 1.00 0.00 C ATOM 86 C THR A 7 1.177 -5.103 6.704 1.00 0.00 C ATOM 87 O THR A 7 1.485 -6.257 6.935 1.00 0.00 O ATOM 88 CB THR A 7 -0.902 -4.463 5.350 1.00 0.00 C ATOM 89 OG1 THR A 7 -0.611 -5.658 4.642 1.00 0.00 O ATOM 90 CG2 THR A 7 -0.221 -3.297 4.599 1.00 0.00 C ATOM 0 H THR A 7 -1.625 -3.143 7.310 1.00 0.00 H new ATOM 0 HA THR A 7 -0.725 -5.546 7.292 1.00 0.00 H new ATOM 0 HB THR A 7 -1.962 -4.222 5.424 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.364 -5.884 4.057 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.675 -3.184 3.614 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.350 -2.375 5.166 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.842 -3.508 4.487 1.00 0.00 H new ATOM 98 N ASP A 8 2.041 -4.164 6.399 1.00 0.00 N ATOM 99 CA ASP A 8 3.518 -4.435 6.310 1.00 0.00 C ATOM 100 C ASP A 8 3.886 -5.384 5.132 1.00 0.00 C ATOM 101 O ASP A 8 4.326 -6.497 5.348 1.00 0.00 O ATOM 102 CB ASP A 8 3.986 -5.037 7.689 1.00 0.00 C ATOM 103 CG ASP A 8 5.525 -5.002 7.863 1.00 0.00 C ATOM 104 OD1 ASP A 8 6.217 -5.604 7.057 1.00 0.00 O ATOM 105 OD2 ASP A 8 5.936 -4.361 8.814 1.00 0.00 O ATOM 0 H ASP A 8 1.781 -3.197 6.203 1.00 0.00 H new ATOM 0 HA ASP A 8 4.036 -3.498 6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.520 -4.480 8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.638 -6.067 7.768 1.00 0.00 H new ATOM 110 N LEU A 9 3.687 -4.937 3.912 1.00 0.00 N ATOM 111 CA LEU A 9 4.031 -5.792 2.712 1.00 0.00 C ATOM 112 C LEU A 9 4.947 -4.963 1.823 1.00 0.00 C ATOM 113 O LEU A 9 5.853 -5.468 1.188 1.00 0.00 O ATOM 114 CB LEU A 9 2.803 -6.187 1.818 1.00 0.00 C ATOM 115 CG LEU A 9 1.442 -6.089 2.526 1.00 0.00 C ATOM 116 CD1 LEU A 9 0.867 -4.721 2.229 1.00 0.00 C ATOM 117 CD2 LEU A 9 0.446 -7.123 1.975 1.00 0.00 C ATOM 0 H LEU A 9 3.302 -4.019 3.689 1.00 0.00 H new ATOM 0 HA LEU A 9 4.469 -6.712 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.788 -5.543 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.941 -7.208 1.463 1.00 0.00 H new ATOM 0 HG LEU A 9 1.591 -6.265 3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.102 -4.619 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.544 -3.953 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.743 -4.604 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.506 -7.026 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.294 -6.950 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.843 -8.127 2.127 1.00 0.00 H new ATOM 129 N PHE A 10 4.649 -3.692 1.827 1.00 0.00 N ATOM 130 CA PHE A 10 5.405 -2.691 1.027 1.00 0.00 C ATOM 131 C PHE A 10 6.056 -1.694 1.991 1.00 0.00 C ATOM 132 O PHE A 10 5.569 -1.502 3.089 1.00 0.00 O ATOM 133 CB PHE A 10 4.415 -2.044 0.135 1.00 0.00 C ATOM 134 CG PHE A 10 3.654 -3.074 -0.710 1.00 0.00 C ATOM 135 CD1 PHE A 10 4.196 -3.679 -1.825 1.00 0.00 C ATOM 136 CD2 PHE A 10 2.367 -3.390 -0.338 1.00 0.00 C ATOM 137 CE1 PHE A 10 3.448 -4.584 -2.545 1.00 0.00 C ATOM 138 CE2 PHE A 10 1.614 -4.287 -1.051 1.00 0.00 C ATOM 139 CZ PHE A 10 2.157 -4.892 -2.163 1.00 0.00 C ATOM 0 H PHE A 10 3.884 -3.295 2.373 1.00 0.00 H new ATOM 0 HA PHE A 10 6.202 -3.131 0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.707 -1.470 0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.924 -1.339 -0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.204 -3.444 -2.133 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.940 -2.920 0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.875 -5.057 -3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.605 -4.517 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.577 -5.603 -2.733 1.00 0.00 H new ATOM 149 N THR A 11 7.129 -1.088 1.561 1.00 0.00 N ATOM 150 CA THR A 11 7.835 -0.097 2.423 1.00 0.00 C ATOM 151 C THR A 11 7.486 1.301 1.946 1.00 0.00 C ATOM 152 O THR A 11 7.074 1.502 0.821 1.00 0.00 O ATOM 153 CB THR A 11 9.364 -0.320 2.303 1.00 0.00 C ATOM 154 OG1 THR A 11 9.610 -1.555 2.958 1.00 0.00 O ATOM 155 CG2 THR A 11 10.229 0.740 3.043 1.00 0.00 C ATOM 0 H THR A 11 7.550 -1.238 0.644 1.00 0.00 H new ATOM 0 HA THR A 11 7.531 -0.218 3.463 1.00 0.00 H new ATOM 0 HB THR A 11 9.632 -0.273 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.567 -1.761 2.918 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.285 0.507 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.020 1.729 2.636 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.989 0.727 4.106 1.00 0.00 H new ATOM 163 N CYS A 12 7.673 2.227 2.842 1.00 0.00 N ATOM 164 CA CYS A 12 7.388 3.640 2.502 1.00 0.00 C ATOM 165 C CYS A 12 8.760 4.104 2.055 1.00 0.00 C ATOM 166 O CYS A 12 9.670 4.217 2.857 1.00 0.00 O ATOM 167 CB CYS A 12 7.017 4.476 3.684 1.00 0.00 C ATOM 168 SG CYS A 12 7.031 6.234 3.268 1.00 0.00 S ATOM 0 H CYS A 12 8.010 2.064 3.791 1.00 0.00 H new ATOM 0 HA CYS A 12 6.562 3.726 1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.026 4.191 4.038 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.714 4.287 4.500 1.00 0.00 H new ATOM 173 N GLY A 13 8.864 4.357 0.783 1.00 0.00 N ATOM 174 CA GLY A 13 10.169 4.818 0.228 1.00 0.00 C ATOM 175 C GLY A 13 10.531 6.256 0.633 1.00 0.00 C ATOM 176 O GLY A 13 11.275 6.911 -0.072 1.00 0.00 O ATOM 0 H GLY A 13 8.108 4.266 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.957 4.144 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.137 4.752 -0.860 1.00 0.00 H new ATOM 180 N LYS A 14 9.997 6.701 1.749 1.00 0.00 N ATOM 181 CA LYS A 14 10.295 8.086 2.240 1.00 0.00 C ATOM 182 C LYS A 14 10.997 8.022 3.606 1.00 0.00 C ATOM 183 O LYS A 14 12.128 8.455 3.732 1.00 0.00 O ATOM 184 CB LYS A 14 9.017 8.970 2.428 1.00 0.00 C ATOM 185 CG LYS A 14 8.851 9.888 1.191 1.00 0.00 C ATOM 186 CD LYS A 14 8.595 9.095 -0.119 1.00 0.00 C ATOM 187 CE LYS A 14 9.273 9.779 -1.319 1.00 0.00 C ATOM 188 NZ LYS A 14 10.753 9.645 -1.191 1.00 0.00 N ATOM 0 H LYS A 14 9.366 6.162 2.342 1.00 0.00 H new ATOM 0 HA LYS A 14 10.924 8.537 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.137 8.338 2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.105 9.571 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.022 10.574 1.363 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.748 10.496 1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.974 8.079 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.523 9.018 -0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.934 9.325 -2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.994 10.832 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.190 9.704 -2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.120 10.411 -0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.982 8.727 -0.760 1.00 0.00 H new ATOM 202 N CYS A 15 10.308 7.481 4.587 1.00 0.00 N ATOM 203 CA CYS A 15 10.916 7.374 5.954 1.00 0.00 C ATOM 204 C CYS A 15 11.728 6.085 6.048 1.00 0.00 C ATOM 205 O CYS A 15 12.499 5.938 6.977 1.00 0.00 O ATOM 206 CB CYS A 15 9.779 7.420 7.011 1.00 0.00 C ATOM 207 SG CYS A 15 8.201 6.617 6.653 1.00 0.00 S ATOM 0 H CYS A 15 9.361 7.113 4.501 1.00 0.00 H new ATOM 0 HA CYS A 15 11.594 8.206 6.143 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.168 6.981 7.929 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.571 8.469 7.222 1.00 0.00 H new ATOM 212 N LYS A 16 11.504 5.213 5.084 1.00 0.00 N ATOM 213 CA LYS A 16 12.190 3.895 4.942 1.00 0.00 C ATOM 214 C LYS A 16 11.774 2.830 5.988 1.00 0.00 C ATOM 215 O LYS A 16 12.640 2.187 6.551 1.00 0.00 O ATOM 216 CB LYS A 16 13.714 4.195 4.991 1.00 0.00 C ATOM 217 CG LYS A 16 14.147 5.184 3.865 1.00 0.00 C ATOM 218 CD LYS A 16 15.643 5.500 4.032 1.00 0.00 C ATOM 219 CE LYS A 16 16.031 6.602 3.038 1.00 0.00 C ATOM 220 NZ LYS A 16 17.481 6.890 3.183 1.00 0.00 N ATOM 0 H LYS A 16 10.823 5.385 4.344 1.00 0.00 H new ATOM 0 HA LYS A 16 11.893 3.437 3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.970 4.616 5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.271 3.264 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.961 4.745 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.559 6.100 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.849 5.823 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.240 4.605 3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.809 6.286 2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.447 7.503 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.755 7.637 2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.677 7.207 4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.028 6.028 2.984 1.00 0.00 H new ATOM 234 N LYS A 17 10.490 2.648 6.241 1.00 0.00 N ATOM 235 CA LYS A 17 10.072 1.619 7.249 1.00 0.00 C ATOM 236 C LYS A 17 8.877 0.858 6.658 1.00 0.00 C ATOM 237 O LYS A 17 8.375 1.224 5.613 1.00 0.00 O ATOM 238 CB LYS A 17 9.660 2.293 8.615 1.00 0.00 C ATOM 239 CG LYS A 17 10.225 3.745 8.817 1.00 0.00 C ATOM 240 CD LYS A 17 10.368 4.062 10.322 1.00 0.00 C ATOM 241 CE LYS A 17 10.408 5.594 10.517 1.00 0.00 C ATOM 242 NZ LYS A 17 10.754 5.922 11.928 1.00 0.00 N ATOM 0 H LYS A 17 9.728 3.161 5.798 1.00 0.00 H new ATOM 0 HA LYS A 17 10.903 0.945 7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.572 2.327 8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.005 1.664 9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.194 3.837 8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.560 4.470 8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.533 3.634 10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.278 3.609 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.142 6.035 9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.440 6.026 10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.778 6.955 12.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.039 5.516 12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.687 5.525 12.158 1.00 0.00 H new ATOM 256 N LYS A 18 8.458 -0.170 7.347 1.00 0.00 N ATOM 257 CA LYS A 18 7.299 -1.001 6.869 1.00 0.00 C ATOM 258 C LYS A 18 6.058 -0.815 7.765 1.00 0.00 C ATOM 259 O LYS A 18 5.444 -1.767 8.208 1.00 0.00 O ATOM 260 CB LYS A 18 7.718 -2.495 6.867 1.00 0.00 C ATOM 261 CG LYS A 18 8.964 -2.752 5.978 1.00 0.00 C ATOM 262 CD LYS A 18 9.462 -4.202 6.156 1.00 0.00 C ATOM 263 CE LYS A 18 9.977 -4.424 7.597 1.00 0.00 C ATOM 264 NZ LYS A 18 10.560 -5.788 7.738 1.00 0.00 N ATOM 0 H LYS A 18 8.869 -0.477 8.229 1.00 0.00 H new ATOM 0 HA LYS A 18 7.035 -0.676 5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.930 -2.813 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.887 -3.103 6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.716 -2.572 4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.758 -2.053 6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.653 -4.900 5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.259 -4.409 5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.729 -3.674 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.159 -4.297 8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.901 -5.921 8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.832 -6.500 7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.354 -5.896 7.075 1.00 0.00 H new ATOM 278 N ASN A 19 5.715 0.425 8.004 1.00 0.00 N ATOM 279 CA ASN A 19 4.525 0.745 8.857 1.00 0.00 C ATOM 280 C ASN A 19 3.559 1.475 7.938 1.00 0.00 C ATOM 281 O ASN A 19 3.237 2.644 8.043 1.00 0.00 O ATOM 282 CB ASN A 19 5.027 1.589 10.018 1.00 0.00 C ATOM 283 CG ASN A 19 3.896 1.859 11.009 1.00 0.00 C ATOM 284 OD1 ASN A 19 3.256 0.954 11.509 1.00 0.00 O ATOM 285 ND2 ASN A 19 3.620 3.091 11.328 1.00 0.00 N ATOM 0 H ASN A 19 6.212 1.239 7.642 1.00 0.00 H new ATOM 0 HA ASN A 19 4.013 -0.116 9.287 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.846 1.075 10.522 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.425 2.533 9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.872 3.291 11.992 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.152 3.856 10.914 1.00 0.00 H new ATOM 292 N CYS A 20 3.140 0.651 7.025 1.00 0.00 N ATOM 293 CA CYS A 20 2.192 1.021 5.952 1.00 0.00 C ATOM 294 C CYS A 20 0.961 0.117 5.969 1.00 0.00 C ATOM 295 O CYS A 20 1.051 -1.042 6.326 1.00 0.00 O ATOM 296 CB CYS A 20 2.965 0.889 4.644 1.00 0.00 C ATOM 297 SG CYS A 20 4.393 1.984 4.466 1.00 0.00 S ATOM 0 H CYS A 20 3.439 -0.323 6.982 1.00 0.00 H new ATOM 0 HA CYS A 20 1.818 2.036 6.084 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.306 -0.142 4.547 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.280 1.078 3.817 1.00 0.00 H new ATOM 0 HG CYS A 20 5.193 1.509 3.558 1.00 0.00 H new ATOM 303 N THR A 21 -0.126 0.719 5.566 1.00 0.00 N ATOM 304 CA THR A 21 -1.468 0.041 5.480 1.00 0.00 C ATOM 305 C THR A 21 -1.807 -0.046 3.982 1.00 0.00 C ATOM 306 O THR A 21 -1.432 0.836 3.236 1.00 0.00 O ATOM 307 CB THR A 21 -2.547 0.881 6.193 1.00 0.00 C ATOM 308 OG1 THR A 21 -2.317 0.686 7.580 1.00 0.00 O ATOM 309 CG2 THR A 21 -3.970 0.328 5.951 1.00 0.00 C ATOM 0 H THR A 21 -0.145 1.698 5.279 1.00 0.00 H new ATOM 0 HA THR A 21 -1.438 -0.940 5.955 1.00 0.00 H new ATOM 0 HB THR A 21 -2.489 1.910 5.838 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.282 1.555 8.031 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.696 0.952 6.472 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.186 0.335 4.883 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.032 -0.693 6.327 1.00 0.00 H new ATOM 317 N TYR A 22 -2.494 -1.079 3.557 1.00 0.00 N ATOM 318 CA TYR A 22 -2.837 -1.181 2.096 1.00 0.00 C ATOM 319 C TYR A 22 -4.335 -1.447 1.884 1.00 0.00 C ATOM 320 O TYR A 22 -5.047 -1.782 2.811 1.00 0.00 O ATOM 321 CB TYR A 22 -1.940 -2.309 1.476 1.00 0.00 C ATOM 322 CG TYR A 22 -2.398 -3.756 1.745 1.00 0.00 C ATOM 323 CD1 TYR A 22 -3.046 -4.180 2.884 1.00 0.00 C ATOM 324 CD2 TYR A 22 -2.126 -4.683 0.770 1.00 0.00 C ATOM 325 CE1 TYR A 22 -3.414 -5.494 3.037 1.00 0.00 C ATOM 326 CE2 TYR A 22 -2.487 -5.994 0.915 1.00 0.00 C ATOM 327 CZ TYR A 22 -3.138 -6.417 2.054 1.00 0.00 C ATOM 328 OH TYR A 22 -3.513 -7.738 2.208 1.00 0.00 O ATOM 0 H TYR A 22 -2.828 -1.844 4.143 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.636 -0.235 1.593 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.893 -2.158 0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.926 -2.192 1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.268 -3.470 3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.617 -4.371 -0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.924 -5.806 3.936 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.261 -6.703 0.132 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.321 -7.786 2.761 1.00 0.00 H new ATOM 338 N THR A 23 -4.755 -1.283 0.654 1.00 0.00 N ATOM 339 CA THR A 23 -6.188 -1.503 0.271 1.00 0.00 C ATOM 340 C THR A 23 -6.248 -2.538 -0.851 1.00 0.00 C ATOM 341 O THR A 23 -5.383 -2.571 -1.705 1.00 0.00 O ATOM 342 CB THR A 23 -6.806 -0.173 -0.213 1.00 0.00 C ATOM 343 OG1 THR A 23 -6.562 0.768 0.825 1.00 0.00 O ATOM 344 CG2 THR A 23 -8.343 -0.281 -0.240 1.00 0.00 C ATOM 0 H THR A 23 -4.153 -1.000 -0.119 1.00 0.00 H new ATOM 0 HA THR A 23 -6.750 -1.862 1.133 1.00 0.00 H new ATOM 0 HB THR A 23 -6.400 0.084 -1.191 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.933 1.639 0.571 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.768 0.662 -0.583 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.640 -1.081 -0.919 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.710 -0.501 0.762 1.00 0.00 H new ATOM 352 N GLN A 24 -7.293 -3.328 -0.789 1.00 0.00 N ATOM 353 CA GLN A 24 -7.557 -4.421 -1.775 1.00 0.00 C ATOM 354 C GLN A 24 -8.922 -4.226 -2.467 1.00 0.00 C ATOM 355 O GLN A 24 -9.923 -4.752 -2.022 1.00 0.00 O ATOM 356 CB GLN A 24 -7.488 -5.740 -0.973 1.00 0.00 C ATOM 357 CG GLN A 24 -6.051 -5.909 -0.370 1.00 0.00 C ATOM 358 CD GLN A 24 -5.135 -6.638 -1.363 1.00 0.00 C ATOM 359 OE1 GLN A 24 -5.178 -6.428 -2.560 1.00 0.00 O ATOM 360 NE2 GLN A 24 -4.279 -7.505 -0.896 1.00 0.00 N ATOM 0 H GLN A 24 -8.004 -3.254 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.824 -4.425 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.230 -5.732 -0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.724 -6.585 -1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.633 -4.931 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.105 -6.470 0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.235 -7.689 0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.654 -7.999 -1.533 1.00 0.00 H new ATOM 369 N VAL A 25 -8.915 -3.469 -3.539 1.00 0.00 N ATOM 370 CA VAL A 25 -10.148 -3.174 -4.329 1.00 0.00 C ATOM 371 C VAL A 25 -9.960 -3.694 -5.756 1.00 0.00 C ATOM 372 O VAL A 25 -8.870 -4.035 -6.155 1.00 0.00 O ATOM 373 CB VAL A 25 -10.351 -1.630 -4.267 1.00 0.00 C ATOM 374 CG1 VAL A 25 -11.247 -1.096 -5.410 1.00 0.00 C ATOM 375 CG2 VAL A 25 -11.092 -1.308 -2.954 1.00 0.00 C ATOM 0 H VAL A 25 -8.073 -3.029 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.036 -3.666 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.367 -1.168 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.353 -0.015 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.791 -1.333 -6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.230 -1.563 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.250 -0.232 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.055 -1.818 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.495 -1.646 -2.107 1.00 0.00 H new ATOM 385 N GLN A 26 -11.051 -3.731 -6.468 1.00 0.00 N ATOM 386 CA GLN A 26 -11.084 -4.210 -7.887 1.00 0.00 C ATOM 387 C GLN A 26 -11.586 -3.059 -8.782 1.00 0.00 C ATOM 388 O GLN A 26 -12.654 -2.525 -8.547 1.00 0.00 O ATOM 389 CB GLN A 26 -12.028 -5.431 -7.918 1.00 0.00 C ATOM 390 CG GLN A 26 -12.055 -6.144 -9.293 1.00 0.00 C ATOM 391 CD GLN A 26 -12.826 -7.466 -9.112 1.00 0.00 C ATOM 392 OE1 GLN A 26 -12.237 -8.597 -9.392 1.00 0.00 O flip ATOM 393 NE2 GLN A 26 -13.972 -7.484 -8.710 1.00 0.00 N flip ATOM 0 H GLN A 26 -11.961 -3.437 -6.112 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.103 -4.505 -8.259 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.717 -6.142 -7.153 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.037 -5.109 -7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.539 -5.517 -10.041 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.042 -6.336 -9.646 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.448 -6.610 -8.486 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.459 -8.373 -8.596 1.00 0.00 H new ATOM 402 N THR A 27 -10.803 -2.712 -9.776 1.00 0.00 N ATOM 403 CA THR A 27 -11.208 -1.600 -10.706 1.00 0.00 C ATOM 404 C THR A 27 -11.750 -2.144 -12.033 1.00 0.00 C ATOM 405 O THR A 27 -12.952 -2.248 -12.192 1.00 0.00 O ATOM 406 CB THR A 27 -9.980 -0.657 -10.975 1.00 0.00 C ATOM 407 OG1 THR A 27 -8.817 -1.456 -11.143 1.00 0.00 O ATOM 408 CG2 THR A 27 -9.667 0.231 -9.769 1.00 0.00 C ATOM 0 H THR A 27 -9.904 -3.146 -9.986 1.00 0.00 H new ATOM 0 HA THR A 27 -12.007 -1.034 -10.226 1.00 0.00 H new ATOM 0 HB THR A 27 -10.231 -0.053 -11.847 1.00 0.00 H new ATOM 0 HG1 THR A 27 -8.044 -0.878 -11.313 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.812 0.867 -9.998 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.532 0.854 -9.542 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.434 -0.395 -8.907 1.00 0.00 H new ATOM 416 N ARG A 28 -10.867 -2.476 -12.935 1.00 0.00 N ATOM 417 CA ARG A 28 -11.282 -3.014 -14.252 1.00 0.00 C ATOM 418 C ARG A 28 -10.818 -4.467 -14.377 1.00 0.00 C ATOM 419 O ARG A 28 -10.214 -5.006 -13.472 1.00 0.00 O ATOM 420 CB ARG A 28 -10.676 -2.080 -15.349 1.00 0.00 C ATOM 421 CG ARG A 28 -9.150 -2.201 -15.637 1.00 0.00 C ATOM 422 CD ARG A 28 -8.204 -1.961 -14.436 1.00 0.00 C ATOM 423 NE ARG A 28 -7.871 -3.285 -13.827 1.00 0.00 N ATOM 424 CZ ARG A 28 -7.448 -3.384 -12.597 1.00 0.00 C ATOM 425 NH1 ARG A 28 -6.425 -2.682 -12.188 1.00 0.00 N ATOM 426 NH2 ARG A 28 -8.057 -4.197 -11.781 1.00 0.00 N ATOM 0 H ARG A 28 -9.858 -2.394 -12.808 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.366 -3.026 -14.369 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.210 -2.266 -16.281 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.883 -1.049 -15.064 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.955 -3.198 -16.032 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.893 -1.490 -16.422 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.296 -1.455 -14.764 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.682 -1.314 -13.700 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.977 -4.131 -14.387 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.950 -2.050 -12.832 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.101 -2.766 -11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.853 -4.745 -12.107 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.738 -4.285 -10.816 1.00 0.00 H new ATOM 440 N SER A 29 -11.126 -5.045 -15.503 1.00 0.00 N ATOM 441 CA SER A 29 -10.760 -6.468 -15.809 1.00 0.00 C ATOM 442 C SER A 29 -11.241 -7.457 -14.737 1.00 0.00 C ATOM 443 O SER A 29 -10.593 -7.663 -13.727 1.00 0.00 O ATOM 444 CB SER A 29 -9.233 -6.608 -15.948 1.00 0.00 C ATOM 445 OG SER A 29 -9.077 -7.995 -16.220 1.00 0.00 O ATOM 0 H SER A 29 -11.634 -4.578 -16.254 1.00 0.00 H new ATOM 0 HA SER A 29 -11.261 -6.714 -16.745 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.840 -5.989 -16.755 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.713 -6.312 -15.037 1.00 0.00 H new ATOM 0 HG SER A 29 -8.204 -8.150 -16.637 1.00 0.00 H new ATOM 451 N ALA A 30 -12.372 -8.050 -15.013 1.00 0.00 N ATOM 452 CA ALA A 30 -12.950 -9.036 -14.057 1.00 0.00 C ATOM 453 C ALA A 30 -12.472 -10.446 -14.434 1.00 0.00 C ATOM 454 O ALA A 30 -13.170 -11.429 -14.280 1.00 0.00 O ATOM 455 CB ALA A 30 -14.464 -8.915 -14.144 1.00 0.00 C ATOM 0 H ALA A 30 -12.920 -7.894 -15.859 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.629 -8.844 -13.033 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.926 -9.623 -13.456 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.764 -7.902 -13.877 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.789 -9.133 -15.161 1.00 0.00 H new ATOM 461 N ASP A 31 -11.257 -10.470 -14.921 1.00 0.00 N ATOM 462 CA ASP A 31 -10.569 -11.723 -15.349 1.00 0.00 C ATOM 463 C ASP A 31 -9.294 -11.766 -14.497 1.00 0.00 C ATOM 464 O ASP A 31 -8.814 -12.824 -14.140 1.00 0.00 O ATOM 465 CB ASP A 31 -10.237 -11.638 -16.838 1.00 0.00 C ATOM 466 CG ASP A 31 -11.544 -11.437 -17.625 1.00 0.00 C ATOM 467 OD1 ASP A 31 -11.953 -10.288 -17.707 1.00 0.00 O ATOM 468 OD2 ASP A 31 -12.059 -12.443 -18.089 1.00 0.00 O ATOM 0 H ASP A 31 -10.690 -9.631 -15.044 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.175 -12.618 -15.212 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.552 -10.811 -17.026 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.735 -12.548 -17.166 1.00 0.00 H new ATOM 473 N GLU A 32 -8.805 -10.579 -14.225 1.00 0.00 N ATOM 474 CA GLU A 32 -7.576 -10.331 -13.406 1.00 0.00 C ATOM 475 C GLU A 32 -7.997 -9.680 -12.063 1.00 0.00 C ATOM 476 O GLU A 32 -7.891 -8.475 -11.956 1.00 0.00 O ATOM 477 CB GLU A 32 -6.617 -9.372 -14.185 1.00 0.00 C ATOM 478 CG GLU A 32 -5.689 -10.175 -15.112 1.00 0.00 C ATOM 479 CD GLU A 32 -6.530 -10.989 -16.107 1.00 0.00 C ATOM 480 OE1 GLU A 32 -7.192 -10.342 -16.901 1.00 0.00 O ATOM 481 OE2 GLU A 32 -6.468 -12.205 -16.015 1.00 0.00 O ATOM 0 H GLU A 32 -9.239 -9.719 -14.561 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.057 -11.270 -13.212 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.200 -8.662 -14.771 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.022 -8.791 -13.480 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.024 -9.500 -15.650 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.059 -10.841 -14.523 1.00 0.00 H new ATOM 488 N PRO A 33 -8.452 -10.473 -11.103 1.00 0.00 N ATOM 489 CA PRO A 33 -8.890 -10.067 -9.725 1.00 0.00 C ATOM 490 C PRO A 33 -8.711 -8.644 -9.175 1.00 0.00 C ATOM 491 O PRO A 33 -8.820 -7.656 -9.873 1.00 0.00 O ATOM 492 CB PRO A 33 -8.208 -11.167 -8.913 1.00 0.00 C ATOM 493 CG PRO A 33 -8.588 -12.429 -9.740 1.00 0.00 C ATOM 494 CD PRO A 33 -8.576 -11.960 -11.222 1.00 0.00 C ATOM 0 HA PRO A 33 -9.976 -9.986 -9.689 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.129 -11.025 -8.851 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.582 -11.216 -7.890 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.875 -13.237 -9.576 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.569 -12.807 -9.454 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.742 -12.392 -11.775 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.488 -12.249 -11.744 1.00 0.00 H new ATOM 502 N MET A 34 -8.451 -8.581 -7.899 1.00 0.00 N ATOM 503 CA MET A 34 -8.261 -7.238 -7.265 1.00 0.00 C ATOM 504 C MET A 34 -6.852 -6.699 -7.536 1.00 0.00 C ATOM 505 O MET A 34 -6.037 -7.328 -8.182 1.00 0.00 O ATOM 506 CB MET A 34 -8.473 -7.309 -5.719 1.00 0.00 C ATOM 507 CG MET A 34 -7.317 -7.969 -4.939 1.00 0.00 C ATOM 508 SD MET A 34 -7.316 -9.774 -4.761 1.00 0.00 S ATOM 509 CE MET A 34 -6.078 -10.221 -6.007 1.00 0.00 C ATOM 0 H MET A 34 -8.362 -9.382 -7.274 1.00 0.00 H new ATOM 0 HA MET A 34 -9.002 -6.571 -7.705 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.619 -6.298 -5.339 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.391 -7.861 -5.517 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.384 -7.683 -5.424 1.00 0.00 H new ATOM 0 HG3 MET A 34 -7.302 -7.537 -3.938 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.268 -11.234 -6.361 1.00 0.00 H new ATOM 0 HE2 MET A 34 -6.138 -9.527 -6.845 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.083 -10.171 -5.565 1.00 0.00 H new ATOM 519 N THR A 35 -6.631 -5.529 -7.010 1.00 0.00 N ATOM 520 CA THR A 35 -5.321 -4.828 -7.162 1.00 0.00 C ATOM 521 C THR A 35 -4.830 -4.486 -5.757 1.00 0.00 C ATOM 522 O THR A 35 -5.561 -4.645 -4.796 1.00 0.00 O ATOM 523 CB THR A 35 -5.523 -3.539 -8.001 1.00 0.00 C ATOM 524 OG1 THR A 35 -6.376 -3.922 -9.078 1.00 0.00 O ATOM 525 CG2 THR A 35 -4.206 -3.136 -8.700 1.00 0.00 C ATOM 0 H THR A 35 -7.322 -5.013 -6.465 1.00 0.00 H new ATOM 0 HA THR A 35 -4.590 -5.453 -7.675 1.00 0.00 H new ATOM 0 HB THR A 35 -5.891 -2.736 -7.363 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.920 -3.155 -9.353 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.367 -2.230 -9.284 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.437 -2.953 -7.949 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.884 -3.941 -9.361 1.00 0.00 H new ATOM 533 N THR A 36 -3.609 -4.024 -5.680 1.00 0.00 N ATOM 534 CA THR A 36 -3.027 -3.660 -4.352 1.00 0.00 C ATOM 535 C THR A 36 -2.451 -2.227 -4.315 1.00 0.00 C ATOM 536 O THR A 36 -1.489 -1.936 -5.005 1.00 0.00 O ATOM 537 CB THR A 36 -1.929 -4.714 -4.034 1.00 0.00 C ATOM 538 OG1 THR A 36 -2.491 -5.997 -4.292 1.00 0.00 O ATOM 539 CG2 THR A 36 -1.704 -4.779 -2.530 1.00 0.00 C ATOM 0 H THR A 36 -2.990 -3.883 -6.478 1.00 0.00 H new ATOM 0 HA THR A 36 -3.815 -3.667 -3.598 1.00 0.00 H new ATOM 0 HB THR A 36 -1.032 -4.464 -4.601 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.322 -6.099 -3.782 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.934 -5.518 -2.309 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.384 -3.802 -2.167 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.633 -5.063 -2.035 1.00 0.00 H new ATOM 547 N PHE A 37 -3.062 -1.379 -3.514 1.00 0.00 N ATOM 548 CA PHE A 37 -2.635 0.037 -3.349 1.00 0.00 C ATOM 549 C PHE A 37 -2.037 0.139 -1.935 1.00 0.00 C ATOM 550 O PHE A 37 -2.531 -0.530 -1.052 1.00 0.00 O ATOM 551 CB PHE A 37 -3.844 0.928 -3.444 1.00 0.00 C ATOM 552 CG PHE A 37 -4.753 0.650 -4.667 1.00 0.00 C ATOM 553 CD1 PHE A 37 -4.258 0.396 -5.940 1.00 0.00 C ATOM 554 CD2 PHE A 37 -6.127 0.669 -4.482 1.00 0.00 C ATOM 555 CE1 PHE A 37 -5.124 0.169 -6.991 1.00 0.00 C ATOM 556 CE2 PHE A 37 -6.986 0.441 -5.537 1.00 0.00 C ATOM 557 CZ PHE A 37 -6.485 0.192 -6.792 1.00 0.00 C ATOM 0 H PHE A 37 -3.872 -1.631 -2.948 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.917 0.337 -4.112 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.435 0.815 -2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.513 1.966 -3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.191 0.376 -6.108 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.530 0.865 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.730 -0.028 -7.977 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.054 0.458 -5.376 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.157 0.015 -7.619 1.00 0.00 H new ATOM 567 N VAL A 38 -1.030 0.958 -1.745 1.00 0.00 N ATOM 568 CA VAL A 38 -0.381 1.108 -0.403 1.00 0.00 C ATOM 569 C VAL A 38 -0.257 2.574 -0.001 1.00 0.00 C ATOM 570 O VAL A 38 0.153 3.395 -0.798 1.00 0.00 O ATOM 571 CB VAL A 38 1.033 0.477 -0.458 1.00 0.00 C ATOM 572 CG1 VAL A 38 1.576 0.217 0.970 1.00 0.00 C ATOM 573 CG2 VAL A 38 1.003 -0.819 -1.267 1.00 0.00 C ATOM 0 H VAL A 38 -0.623 1.540 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.003 0.605 0.337 1.00 0.00 H new ATOM 0 HB VAL A 38 1.705 1.180 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.570 -0.226 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.633 1.159 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.907 -0.465 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.003 -1.252 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.316 -1.524 -0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.668 -0.606 -2.282 1.00 0.00 H new ATOM 583 N VAL A 39 -0.607 2.837 1.229 1.00 0.00 N ATOM 584 CA VAL A 39 -0.541 4.208 1.798 1.00 0.00 C ATOM 585 C VAL A 39 0.180 4.052 3.139 1.00 0.00 C ATOM 586 O VAL A 39 -0.175 3.233 3.965 1.00 0.00 O ATOM 587 CB VAL A 39 -1.978 4.772 2.000 1.00 0.00 C ATOM 588 CG1 VAL A 39 -1.895 6.116 2.768 1.00 0.00 C ATOM 589 CG2 VAL A 39 -2.606 5.056 0.618 1.00 0.00 C ATOM 0 H VAL A 39 -0.947 2.131 1.882 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.019 4.905 1.143 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.576 4.049 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.899 6.515 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.427 5.952 3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.301 6.827 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.613 5.451 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.997 5.786 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.652 4.132 0.042 1.00 0.00 H new ATOM 599 N CYS A 40 1.188 4.856 3.310 1.00 0.00 N ATOM 600 CA CYS A 40 1.981 4.809 4.576 1.00 0.00 C ATOM 601 C CYS A 40 1.306 5.585 5.704 1.00 0.00 C ATOM 602 O CYS A 40 0.754 6.649 5.517 1.00 0.00 O ATOM 603 CB CYS A 40 3.391 5.369 4.252 1.00 0.00 C ATOM 604 SG CYS A 40 4.327 6.204 5.551 1.00 0.00 S ATOM 0 H CYS A 40 1.501 5.547 2.629 1.00 0.00 H new ATOM 0 HA CYS A 40 2.054 3.783 4.937 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.999 4.539 3.891 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.284 6.069 3.423 1.00 0.00 H new ATOM 0 HG CYS A 40 5.532 6.450 5.128 1.00 0.00 H new ATOM 610 N ASN A 41 1.383 4.987 6.862 1.00 0.00 N ATOM 611 CA ASN A 41 0.803 5.538 8.109 1.00 0.00 C ATOM 612 C ASN A 41 1.784 6.513 8.770 1.00 0.00 C ATOM 613 O ASN A 41 1.432 7.239 9.680 1.00 0.00 O ATOM 614 CB ASN A 41 0.598 4.451 9.105 1.00 0.00 C ATOM 615 CG ASN A 41 -0.084 3.181 8.627 1.00 0.00 C ATOM 616 OD1 ASN A 41 -0.195 2.866 7.373 1.00 0.00 O flip ATOM 617 ND2 ASN A 41 -0.535 2.413 9.448 1.00 0.00 N flip ATOM 0 H ASN A 41 1.851 4.091 6.993 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.133 6.026 7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.572 4.178 9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.013 4.857 9.930 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.465 2.630 10.442 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.985 1.549 9.145 1.00 0.00 H new ATOM 624 N GLU A 42 2.987 6.481 8.276 1.00 0.00 N ATOM 625 CA GLU A 42 4.073 7.327 8.797 1.00 0.00 C ATOM 626 C GLU A 42 4.129 8.780 8.338 1.00 0.00 C ATOM 627 O GLU A 42 4.013 9.673 9.155 1.00 0.00 O ATOM 628 CB GLU A 42 5.381 6.570 8.456 1.00 0.00 C ATOM 629 CG GLU A 42 5.164 5.011 8.400 1.00 0.00 C ATOM 630 CD GLU A 42 6.515 4.260 8.411 1.00 0.00 C ATOM 631 OE1 GLU A 42 7.237 4.447 9.379 1.00 0.00 O ATOM 632 OE2 GLU A 42 6.749 3.535 7.454 1.00 0.00 O ATOM 0 H GLU A 42 3.264 5.877 7.502 1.00 0.00 H new ATOM 0 HA GLU A 42 3.898 7.462 9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.761 6.918 7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.140 6.804 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.561 4.694 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.607 4.750 7.500 1.00 0.00 H new ATOM 639 N CYS A 43 4.301 8.998 7.068 1.00 0.00 N ATOM 640 CA CYS A 43 4.369 10.377 6.524 1.00 0.00 C ATOM 641 C CYS A 43 3.290 10.463 5.469 1.00 0.00 C ATOM 642 O CYS A 43 2.979 11.540 4.994 1.00 0.00 O ATOM 643 CB CYS A 43 5.726 10.603 5.900 1.00 0.00 C ATOM 644 SG CYS A 43 6.171 9.451 4.580 1.00 0.00 S ATOM 0 H CYS A 43 4.399 8.261 6.369 1.00 0.00 H new ATOM 0 HA CYS A 43 4.225 11.130 7.299 1.00 0.00 H new ATOM 0 HB2 CYS A 43 5.760 11.617 5.502 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.482 10.543 6.683 1.00 0.00 H new ATOM 650 N GLY A 44 2.749 9.313 5.136 1.00 0.00 N ATOM 651 CA GLY A 44 1.682 9.331 4.102 1.00 0.00 C ATOM 652 C GLY A 44 2.231 9.315 2.666 1.00 0.00 C ATOM 653 O GLY A 44 1.955 10.199 1.879 1.00 0.00 O ATOM 0 H GLY A 44 2.992 8.400 5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.031 8.468 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.067 10.220 4.239 1.00 0.00 H new ATOM 657 N ASN A 45 2.995 8.295 2.383 1.00 0.00 N ATOM 658 CA ASN A 45 3.622 8.086 1.043 1.00 0.00 C ATOM 659 C ASN A 45 2.533 7.213 0.419 1.00 0.00 C ATOM 660 O ASN A 45 2.131 6.238 1.016 1.00 0.00 O ATOM 661 CB ASN A 45 4.972 7.323 1.234 1.00 0.00 C ATOM 662 CG ASN A 45 5.834 7.257 -0.003 1.00 0.00 C ATOM 663 OD1 ASN A 45 5.500 7.734 -1.069 1.00 0.00 O ATOM 664 ND2 ASN A 45 6.982 6.654 0.132 1.00 0.00 N ATOM 0 H ASN A 45 3.220 7.564 3.058 1.00 0.00 H new ATOM 0 HA ASN A 45 3.879 8.968 0.457 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.538 7.806 2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.757 6.307 1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.615 6.577 -0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.248 6.259 1.034 1.00 0.00 H new ATOM 671 N ARG A 46 2.071 7.575 -0.743 1.00 0.00 N ATOM 672 CA ARG A 46 1.003 6.773 -1.414 1.00 0.00 C ATOM 673 C ARG A 46 1.444 6.300 -2.796 1.00 0.00 C ATOM 674 O ARG A 46 1.819 7.080 -3.650 1.00 0.00 O ATOM 675 CB ARG A 46 -0.302 7.656 -1.465 1.00 0.00 C ATOM 676 CG ARG A 46 -0.110 9.192 -1.713 1.00 0.00 C ATOM 677 CD ARG A 46 0.289 9.584 -3.146 1.00 0.00 C ATOM 678 NE ARG A 46 -0.768 9.105 -4.087 1.00 0.00 N ATOM 679 CZ ARG A 46 -0.474 8.254 -5.034 1.00 0.00 C ATOM 680 NH1 ARG A 46 0.481 8.545 -5.876 1.00 0.00 N ATOM 681 NH2 ARG A 46 -1.137 7.136 -5.109 1.00 0.00 N ATOM 0 H ARG A 46 2.386 8.395 -1.262 1.00 0.00 H new ATOM 0 HA ARG A 46 0.800 5.864 -0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.947 7.263 -2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.835 7.529 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.039 9.703 -1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.653 9.561 -1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.402 10.665 -3.224 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.252 9.143 -3.404 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.725 9.444 -3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.986 9.427 -5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.722 7.890 -6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.875 6.934 -4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.919 6.462 -5.843 1.00 0.00 H new ATOM 695 N TRP A 47 1.393 5.003 -2.969 1.00 0.00 N ATOM 696 CA TRP A 47 1.801 4.390 -4.265 1.00 0.00 C ATOM 697 C TRP A 47 1.044 3.078 -4.509 1.00 0.00 C ATOM 698 O TRP A 47 0.293 2.623 -3.672 1.00 0.00 O ATOM 699 CB TRP A 47 3.324 4.190 -4.181 1.00 0.00 C ATOM 700 CG TRP A 47 3.681 3.048 -3.216 1.00 0.00 C ATOM 701 CD1 TRP A 47 3.935 1.789 -3.650 1.00 0.00 C ATOM 702 CD2 TRP A 47 3.800 3.091 -1.866 1.00 0.00 C ATOM 703 NE1 TRP A 47 4.194 1.132 -2.540 1.00 0.00 N ATOM 704 CE2 TRP A 47 4.138 1.828 -1.420 1.00 0.00 C ATOM 705 CE3 TRP A 47 3.644 4.109 -0.940 1.00 0.00 C ATOM 706 CZ2 TRP A 47 4.321 1.578 -0.081 1.00 0.00 C ATOM 707 CZ3 TRP A 47 3.827 3.848 0.405 1.00 0.00 C ATOM 708 CH2 TRP A 47 4.165 2.589 0.833 1.00 0.00 C ATOM 0 H TRP A 47 1.083 4.339 -2.260 1.00 0.00 H new ATOM 0 HA TRP A 47 1.554 5.027 -5.114 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.720 3.969 -5.172 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.797 5.113 -3.847 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.927 1.415 -4.663 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.426 0.139 -2.545 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.380 5.104 -1.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.588 0.586 0.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.703 4.643 1.126 1.00 0.00 H new ATOM 0 HH2 TRP A 47 4.308 2.395 1.886 1.00 0.00 H new ATOM 719 N LYS A 48 1.278 2.516 -5.665 1.00 0.00 N ATOM 720 CA LYS A 48 0.620 1.228 -6.066 1.00 0.00 C ATOM 721 C LYS A 48 1.701 0.168 -6.346 1.00 0.00 C ATOM 722 O LYS A 48 2.873 0.483 -6.369 1.00 0.00 O ATOM 723 CB LYS A 48 -0.227 1.479 -7.328 1.00 0.00 C ATOM 724 CG LYS A 48 -1.278 2.580 -7.035 1.00 0.00 C ATOM 725 CD LYS A 48 -1.955 3.074 -8.319 1.00 0.00 C ATOM 726 CE LYS A 48 -2.521 1.907 -9.138 1.00 0.00 C ATOM 727 NZ LYS A 48 -3.368 2.438 -10.240 1.00 0.00 N ATOM 0 H LYS A 48 1.911 2.901 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.024 0.865 -5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.415 1.785 -8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.724 0.559 -7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.033 2.190 -6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.796 3.418 -6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.758 3.766 -8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.235 3.628 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.708 1.308 -9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.109 1.251 -8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.752 1.647 -10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.152 2.992 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.793 3.047 -10.857 1.00 0.00 H new ATOM 741 N PHE A 49 1.287 -1.056 -6.564 1.00 0.00 N ATOM 742 CA PHE A 49 2.276 -2.160 -6.837 1.00 0.00 C ATOM 743 C PHE A 49 2.275 -2.583 -8.323 1.00 0.00 C ATOM 744 O PHE A 49 2.220 -1.731 -9.188 1.00 0.00 O ATOM 745 CB PHE A 49 1.905 -3.341 -5.867 1.00 0.00 C ATOM 746 CG PHE A 49 2.975 -4.466 -5.824 1.00 0.00 C ATOM 747 CD1 PHE A 49 4.329 -4.203 -6.000 1.00 0.00 C ATOM 748 CD2 PHE A 49 2.588 -5.781 -5.593 1.00 0.00 C ATOM 749 CE1 PHE A 49 5.260 -5.219 -5.949 1.00 0.00 C ATOM 750 CE2 PHE A 49 3.525 -6.797 -5.541 1.00 0.00 C ATOM 751 CZ PHE A 49 4.861 -6.518 -5.720 1.00 0.00 C ATOM 0 H PHE A 49 0.309 -1.344 -6.566 1.00 0.00 H new ATOM 0 HA PHE A 49 3.297 -1.826 -6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.765 -2.945 -4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.951 -3.769 -6.176 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.656 -3.189 -6.179 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.542 -6.012 -5.452 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.307 -4.996 -6.089 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.207 -7.813 -5.359 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.592 -7.312 -5.681 1.00 0.00 H new ATOM 761 N CYS A 50 2.338 -3.870 -8.575 1.00 0.00 N ATOM 762 CA CYS A 50 2.349 -4.421 -9.965 1.00 0.00 C ATOM 763 C CYS A 50 0.998 -5.061 -10.303 1.00 0.00 C ATOM 764 O CYS A 50 0.049 -5.022 -9.546 1.00 0.00 O ATOM 765 CB CYS A 50 3.471 -5.469 -10.052 1.00 0.00 C ATOM 766 SG CYS A 50 5.148 -4.909 -9.661 1.00 0.00 S ATOM 0 H CYS A 50 2.384 -4.583 -7.847 1.00 0.00 H new ATOM 0 HA CYS A 50 2.524 -3.619 -10.682 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.222 -6.289 -9.379 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.477 -5.877 -11.063 1.00 0.00 H new ATOM 0 HG CYS A 50 5.341 -4.981 -8.378 1.00 0.00 H new TER 772 CYS A 50 HETATM 773 ZN ZN A 51 7.597 7.817 4.808 1.00 0.00 ZN