USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 518 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 Single : A 1 SER N :NH3+ -108:sc= 0.0799 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00749 USER MOD Single : A 2 SER OG : rot 180:sc= 0.061 USER MOD Single : A 4 LYS NZ :NH3+ -158:sc= -2.51! (180deg=-3.68!) USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= -0.136 (180deg=-0.755) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1! C(o=-1!,f=-11!) USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0541) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 89:sc= 1.2 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 36 GLN : amide:sc= -8.04! C(o=-8!,f=-5.6!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.95 K(o=-1.9,f=-3.9!) USER MOD Single : A 55 ASN : amide:sc= -6.81! C(o=-6.8!,f=-6.8!) USER MOD Single : A 60 THR OG1 : rot -71:sc= 0.823 USER MOD Single : A 61 SER OG : rot 180:sc= -0.199 USER MOD Single : A 62 CYS SG : rot -121:sc= -0.616! USER MOD Single : A 65 LYS NZ :NH3+ -122:sc= -4.52! (180deg=-6.62!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.488 -11.269 -0.980 1.00 0.00 N ATOM 2 CA SER A 1 -8.394 -11.039 0.005 1.00 0.00 C ATOM 3 C SER A 1 -8.649 -9.730 0.753 1.00 0.00 C ATOM 4 O SER A 1 -9.300 -8.833 0.252 1.00 0.00 O ATOM 5 CB SER A 1 -7.057 -10.953 -0.731 1.00 0.00 C ATOM 6 OG SER A 1 -6.928 -9.668 -1.324 1.00 0.00 O ATOM 0 H1 SER A 1 -10.096 -12.045 -0.649 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.055 -10.403 -1.078 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.078 -11.520 -1.902 1.00 0.00 H new ATOM 0 HA SER A 1 -8.365 -11.864 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.235 -11.130 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.000 -11.727 -1.497 1.00 0.00 H new ATOM 0 HG SER A 1 -6.071 -9.610 -1.795 1.00 0.00 H new ATOM 11 N SER A 2 -8.141 -9.609 1.949 1.00 0.00 N ATOM 12 CA SER A 2 -8.356 -8.356 2.727 1.00 0.00 C ATOM 13 C SER A 2 -7.494 -7.241 2.152 1.00 0.00 C ATOM 14 O SER A 2 -7.089 -6.343 2.856 1.00 0.00 O ATOM 15 CB SER A 2 -7.956 -8.578 4.186 1.00 0.00 C ATOM 16 OG SER A 2 -7.907 -9.973 4.454 1.00 0.00 O ATOM 0 H SER A 2 -7.587 -10.323 2.421 1.00 0.00 H new ATOM 0 HA SER A 2 -9.409 -8.082 2.668 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.984 -8.124 4.381 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.673 -8.094 4.849 1.00 0.00 H new ATOM 0 HG SER A 2 -7.649 -10.118 5.388 1.00 0.00 H new ATOM 22 N ALA A 3 -7.196 -7.282 0.889 1.00 0.00 N ATOM 23 CA ALA A 3 -6.347 -6.209 0.312 1.00 0.00 C ATOM 24 C ALA A 3 -7.186 -4.961 0.067 1.00 0.00 C ATOM 25 O ALA A 3 -6.735 -3.848 0.258 1.00 0.00 O ATOM 26 CB ALA A 3 -5.753 -6.679 -1.006 1.00 0.00 C ATOM 0 H ALA A 3 -7.499 -8.004 0.235 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.545 -5.976 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.131 -5.889 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.145 -7.568 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.557 -6.918 -1.703 1.00 0.00 H new ATOM 32 N LYS A 4 -8.413 -5.134 -0.330 1.00 0.00 N ATOM 33 CA LYS A 4 -9.277 -3.951 -0.561 1.00 0.00 C ATOM 34 C LYS A 4 -9.775 -3.477 0.801 1.00 0.00 C ATOM 35 O LYS A 4 -9.909 -2.297 1.054 1.00 0.00 O ATOM 36 CB LYS A 4 -10.451 -4.340 -1.468 1.00 0.00 C ATOM 37 CG LYS A 4 -11.551 -3.269 -1.395 1.00 0.00 C ATOM 38 CD LYS A 4 -12.235 -3.121 -2.763 1.00 0.00 C ATOM 39 CE LYS A 4 -11.241 -2.575 -3.802 1.00 0.00 C ATOM 40 NZ LYS A 4 -10.109 -1.891 -3.113 1.00 0.00 N ATOM 0 H LYS A 4 -8.852 -6.038 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.727 -3.150 -1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.106 -4.449 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.852 -5.306 -1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.287 -3.543 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.121 -2.315 -1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.620 -4.087 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.089 -2.449 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.863 -3.390 -4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.746 -1.877 -4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.656 -1.223 -3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.468 -1.374 -2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.412 -2.599 -2.804 1.00 0.00 H new ATOM 54 N ARG A 5 -10.025 -4.398 1.688 1.00 0.00 N ATOM 55 CA ARG A 5 -10.487 -4.027 3.052 1.00 0.00 C ATOM 56 C ARG A 5 -9.408 -3.182 3.726 1.00 0.00 C ATOM 57 O ARG A 5 -9.662 -2.108 4.230 1.00 0.00 O ATOM 58 CB ARG A 5 -10.673 -5.303 3.870 1.00 0.00 C ATOM 59 CG ARG A 5 -11.486 -5.001 5.135 1.00 0.00 C ATOM 60 CD ARG A 5 -12.978 -5.169 4.841 1.00 0.00 C ATOM 61 NE ARG A 5 -13.257 -6.590 4.489 1.00 0.00 N ATOM 62 CZ ARG A 5 -14.483 -7.036 4.493 1.00 0.00 C ATOM 63 NH1 ARG A 5 -15.468 -6.240 4.807 1.00 0.00 N ATOM 64 NH2 ARG A 5 -14.725 -8.282 4.186 1.00 0.00 N ATOM 0 H ARG A 5 -9.928 -5.400 1.524 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.423 -3.471 2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.183 -6.058 3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.701 -5.715 4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.186 -5.672 5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.284 -3.985 5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.566 -4.876 5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.274 -4.515 4.021 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.489 -7.215 4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.280 -5.267 5.050 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.426 -6.590 4.810 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.956 -8.906 3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.683 -8.631 4.189 1.00 0.00 H new ATOM 78 N VAL A 6 -8.202 -3.678 3.734 1.00 0.00 N ATOM 79 CA VAL A 6 -7.090 -2.940 4.374 1.00 0.00 C ATOM 80 C VAL A 6 -6.934 -1.588 3.670 1.00 0.00 C ATOM 81 O VAL A 6 -6.678 -0.574 4.288 1.00 0.00 O ATOM 82 CB VAL A 6 -5.806 -3.796 4.247 1.00 0.00 C ATOM 83 CG1 VAL A 6 -4.886 -3.250 3.157 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.064 -3.837 5.592 1.00 0.00 C ATOM 0 H VAL A 6 -7.942 -4.573 3.319 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.285 -2.757 5.431 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.099 -4.808 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.993 -3.871 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.408 -3.262 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.600 -2.227 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.163 -4.442 5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.791 -2.824 5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.712 -4.275 6.352 1.00 0.00 H new ATOM 94 N PHE A 7 -7.097 -1.576 2.378 1.00 0.00 N ATOM 95 CA PHE A 7 -6.965 -0.293 1.637 1.00 0.00 C ATOM 96 C PHE A 7 -8.112 0.641 2.049 1.00 0.00 C ATOM 97 O PHE A 7 -7.892 1.793 2.363 1.00 0.00 O ATOM 98 CB PHE A 7 -6.989 -0.544 0.121 1.00 0.00 C ATOM 99 CG PHE A 7 -7.256 0.743 -0.643 1.00 0.00 C ATOM 100 CD1 PHE A 7 -7.093 2.000 -0.038 1.00 0.00 C ATOM 101 CD2 PHE A 7 -7.700 0.676 -1.967 1.00 0.00 C ATOM 102 CE1 PHE A 7 -7.378 3.162 -0.749 1.00 0.00 C ATOM 103 CE2 PHE A 7 -7.967 1.850 -2.672 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.807 3.091 -2.059 1.00 0.00 C ATOM 0 H PHE A 7 -7.314 -2.392 1.807 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.012 0.175 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.036 -0.967 -0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.759 -1.278 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.745 2.065 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.836 -0.284 -2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.263 4.125 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.299 1.797 -3.698 1.00 0.00 H new ATOM 0 HZ PHE A 7 -8.018 3.996 -2.608 1.00 0.00 H new ATOM 114 N GLU A 8 -9.324 0.176 2.081 1.00 0.00 N ATOM 115 CA GLU A 8 -10.431 1.086 2.489 1.00 0.00 C ATOM 116 C GLU A 8 -10.023 1.793 3.784 1.00 0.00 C ATOM 117 O GLU A 8 -10.091 3.000 3.897 1.00 0.00 O ATOM 118 CB GLU A 8 -11.704 0.269 2.724 1.00 0.00 C ATOM 119 CG GLU A 8 -12.212 -0.286 1.388 1.00 0.00 C ATOM 120 CD GLU A 8 -13.105 0.752 0.704 1.00 0.00 C ATOM 121 OE1 GLU A 8 -12.727 1.912 0.690 1.00 0.00 O ATOM 122 OE2 GLU A 8 -14.150 0.369 0.204 1.00 0.00 O ATOM 0 H GLU A 8 -9.598 -0.778 1.847 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.623 1.821 1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.501 -0.549 3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.469 0.894 3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.369 -0.536 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.771 -1.207 1.555 1.00 0.00 H new ATOM 129 N LYS A 9 -9.597 1.040 4.753 1.00 0.00 N ATOM 130 CA LYS A 9 -9.178 1.645 6.045 1.00 0.00 C ATOM 131 C LYS A 9 -8.062 2.664 5.814 1.00 0.00 C ATOM 132 O LYS A 9 -8.045 3.719 6.417 1.00 0.00 O ATOM 133 CB LYS A 9 -8.662 0.551 6.975 1.00 0.00 C ATOM 134 CG LYS A 9 -9.737 -0.525 7.179 1.00 0.00 C ATOM 135 CD LYS A 9 -11.076 0.129 7.528 1.00 0.00 C ATOM 136 CE LYS A 9 -12.027 -0.923 8.103 1.00 0.00 C ATOM 137 NZ LYS A 9 -11.500 -1.415 9.409 1.00 0.00 N ATOM 0 H LYS A 9 -9.520 0.024 4.707 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.037 2.144 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.763 0.101 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.383 0.983 7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.841 -1.123 6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.436 -1.204 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.923 0.930 8.251 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.514 0.582 6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.020 -0.495 8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.131 -1.754 7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.290 -1.744 10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.840 -2.202 9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.002 -0.642 9.896 1.00 0.00 H new ATOM 151 N PHE A 10 -7.136 2.372 4.946 1.00 0.00 N ATOM 152 CA PHE A 10 -6.037 3.339 4.686 1.00 0.00 C ATOM 153 C PHE A 10 -6.498 4.355 3.672 1.00 0.00 C ATOM 154 O PHE A 10 -5.909 5.408 3.543 1.00 0.00 O ATOM 155 CB PHE A 10 -4.824 2.608 4.149 1.00 0.00 C ATOM 156 CG PHE A 10 -4.513 1.421 5.035 1.00 0.00 C ATOM 157 CD1 PHE A 10 -4.558 1.558 6.433 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.160 0.191 4.467 1.00 0.00 C ATOM 159 CE1 PHE A 10 -4.252 0.469 7.254 1.00 0.00 C ATOM 160 CE2 PHE A 10 -3.853 -0.898 5.295 1.00 0.00 C ATOM 161 CZ PHE A 10 -3.898 -0.757 6.686 1.00 0.00 C ATOM 0 H PHE A 10 -7.093 1.507 4.407 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.770 3.840 5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.011 2.274 3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.968 3.281 4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.829 2.506 6.874 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.124 0.081 3.393 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.289 0.576 8.328 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.581 -1.848 4.858 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.659 -1.597 7.321 1.00 0.00 H new ATOM 171 N ASP A 11 -7.545 4.077 2.953 1.00 0.00 N ATOM 172 CA ASP A 11 -8.012 5.083 1.973 1.00 0.00 C ATOM 173 C ASP A 11 -8.266 6.363 2.744 1.00 0.00 C ATOM 174 O ASP A 11 -9.377 6.715 3.088 1.00 0.00 O ATOM 175 CB ASP A 11 -9.281 4.592 1.278 1.00 0.00 C ATOM 176 CG ASP A 11 -9.459 5.326 -0.051 1.00 0.00 C ATOM 177 OD1 ASP A 11 -8.745 6.290 -0.274 1.00 0.00 O ATOM 178 OD2 ASP A 11 -10.307 4.913 -0.826 1.00 0.00 O ATOM 0 H ASP A 11 -8.087 3.214 3.000 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.269 5.253 1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.220 3.517 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.147 4.763 1.918 1.00 0.00 H new ATOM 183 N LYS A 12 -7.205 7.048 3.004 1.00 0.00 N ATOM 184 CA LYS A 12 -7.253 8.323 3.746 1.00 0.00 C ATOM 185 C LYS A 12 -7.623 9.437 2.772 1.00 0.00 C ATOM 186 O LYS A 12 -7.914 10.553 3.152 1.00 0.00 O ATOM 187 CB LYS A 12 -5.865 8.529 4.340 1.00 0.00 C ATOM 188 CG LYS A 12 -5.270 9.867 3.911 1.00 0.00 C ATOM 189 CD LYS A 12 -3.864 9.985 4.498 1.00 0.00 C ATOM 190 CE LYS A 12 -2.985 10.811 3.559 1.00 0.00 C ATOM 191 NZ LYS A 12 -1.799 11.320 4.304 1.00 0.00 N ATOM 0 H LYS A 12 -6.267 6.765 2.721 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.996 8.321 4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.923 8.487 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.208 7.719 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.233 9.933 2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.896 10.689 4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.907 10.456 5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.433 8.994 4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.663 10.201 2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.556 11.645 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.202 11.882 3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.116 11.917 5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.251 10.517 4.674 1.00 0.00 H new ATOM 205 N ASN A 13 -7.642 9.109 1.514 1.00 0.00 N ATOM 206 CA ASN A 13 -8.026 10.099 0.466 1.00 0.00 C ATOM 207 C ASN A 13 -9.298 9.600 -0.235 1.00 0.00 C ATOM 208 O ASN A 13 -9.664 10.080 -1.289 1.00 0.00 O ATOM 209 CB ASN A 13 -6.894 10.226 -0.555 1.00 0.00 C ATOM 210 CG ASN A 13 -6.433 8.830 -0.981 1.00 0.00 C ATOM 211 OD1 ASN A 13 -7.007 7.839 -0.575 1.00 0.00 O ATOM 212 ND2 ASN A 13 -5.414 8.710 -1.786 1.00 0.00 N ATOM 0 H ASN A 13 -7.404 8.183 1.159 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.208 11.073 0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.235 10.789 -1.424 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.061 10.780 -0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.099 7.784 -2.075 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.932 9.542 -2.127 1.00 0.00 H new ATOM 219 N LYS A 14 -9.964 8.635 0.361 1.00 0.00 N ATOM 220 CA LYS A 14 -11.218 8.079 -0.247 1.00 0.00 C ATOM 221 C LYS A 14 -11.146 8.296 -1.756 1.00 0.00 C ATOM 222 O LYS A 14 -12.039 8.835 -2.380 1.00 0.00 O ATOM 223 CB LYS A 14 -12.433 8.802 0.332 1.00 0.00 C ATOM 224 CG LYS A 14 -12.232 9.009 1.835 1.00 0.00 C ATOM 225 CD LYS A 14 -13.503 9.603 2.445 1.00 0.00 C ATOM 226 CE LYS A 14 -13.426 9.522 3.972 1.00 0.00 C ATOM 227 NZ LYS A 14 -13.760 8.137 4.413 1.00 0.00 N ATOM 0 H LYS A 14 -9.691 8.208 1.246 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.313 7.016 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.569 9.763 -0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.337 8.220 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.996 8.059 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.387 9.674 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.619 10.640 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.378 9.062 2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.426 9.792 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.118 10.235 4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.229 8.172 5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.397 7.696 3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.887 7.576 4.488 1.00 0.00 H new ATOM 241 N ASP A 15 -10.037 7.917 -2.310 1.00 0.00 N ATOM 242 CA ASP A 15 -9.800 8.122 -3.755 1.00 0.00 C ATOM 243 C ASP A 15 -9.820 6.801 -4.494 1.00 0.00 C ATOM 244 O ASP A 15 -10.133 6.762 -5.667 1.00 0.00 O ATOM 245 CB ASP A 15 -8.435 8.791 -3.954 1.00 0.00 C ATOM 246 CG ASP A 15 -8.553 10.300 -3.714 1.00 0.00 C ATOM 247 OD1 ASP A 15 -9.663 10.766 -3.522 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.530 10.963 -3.731 1.00 0.00 O ATOM 0 H ASP A 15 -9.270 7.465 -1.812 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.592 8.757 -4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.706 8.361 -3.267 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.072 8.602 -4.964 1.00 0.00 H new ATOM 253 N GLY A 16 -9.441 5.714 -3.876 1.00 0.00 N ATOM 254 CA GLY A 16 -9.398 4.439 -4.630 1.00 0.00 C ATOM 255 C GLY A 16 -7.948 4.233 -4.989 1.00 0.00 C ATOM 256 O GLY A 16 -7.590 3.378 -5.771 1.00 0.00 O ATOM 0 H GLY A 16 -9.164 5.658 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.774 3.613 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.020 4.490 -5.523 1.00 0.00 H new ATOM 260 N LYS A 17 -7.110 5.018 -4.359 1.00 0.00 N ATOM 261 CA LYS A 17 -5.655 4.911 -4.568 1.00 0.00 C ATOM 262 C LYS A 17 -4.918 5.395 -3.335 1.00 0.00 C ATOM 263 O LYS A 17 -5.345 6.285 -2.626 1.00 0.00 O ATOM 264 CB LYS A 17 -5.189 5.752 -5.732 1.00 0.00 C ATOM 265 CG LYS A 17 -5.950 5.403 -7.018 1.00 0.00 C ATOM 266 CD LYS A 17 -7.155 6.337 -7.177 1.00 0.00 C ATOM 267 CE LYS A 17 -6.681 7.696 -7.705 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.765 7.707 -9.192 1.00 0.00 N ATOM 0 H LYS A 17 -7.391 5.741 -3.696 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.442 3.862 -4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.330 6.807 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.121 5.600 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.289 5.497 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.284 4.366 -6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.879 5.900 -7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.660 6.463 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.296 8.494 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.656 7.885 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.444 8.629 -9.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.161 6.955 -9.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.750 7.545 -9.485 1.00 0.00 H new ATOM 282 N LEU A 18 -3.793 4.805 -3.105 1.00 0.00 N ATOM 283 CA LEU A 18 -2.946 5.178 -1.955 1.00 0.00 C ATOM 284 C LEU A 18 -1.608 5.667 -2.424 1.00 0.00 C ATOM 285 O LEU A 18 -1.149 5.330 -3.480 1.00 0.00 O ATOM 286 CB LEU A 18 -2.697 3.992 -1.102 1.00 0.00 C ATOM 287 CG LEU A 18 -3.509 4.092 0.156 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.973 3.920 -0.137 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.037 2.999 1.073 1.00 0.00 C ATOM 0 H LEU A 18 -3.413 4.056 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.468 5.958 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.958 3.082 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.637 3.925 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.381 5.073 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.541 3.996 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.300 4.697 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.142 2.941 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.603 3.035 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.188 2.032 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.977 3.136 1.287 1.00 0.00 H new ATOM 301 N SER A 19 -0.964 6.414 -1.605 1.00 0.00 N ATOM 302 CA SER A 19 0.380 6.913 -1.936 1.00 0.00 C ATOM 303 C SER A 19 1.371 6.111 -1.122 1.00 0.00 C ATOM 304 O SER A 19 1.050 5.607 -0.064 1.00 0.00 O ATOM 305 CB SER A 19 0.484 8.372 -1.534 1.00 0.00 C ATOM 306 OG SER A 19 -0.719 9.045 -1.880 1.00 0.00 O ATOM 0 H SER A 19 -1.318 6.710 -0.695 1.00 0.00 H new ATOM 0 HA SER A 19 0.577 6.817 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.663 8.453 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.332 8.839 -2.035 1.00 0.00 H new ATOM 0 HG SER A 19 -1.357 8.975 -1.140 1.00 0.00 H new ATOM 312 N LEU A 20 2.573 5.991 -1.581 1.00 0.00 N ATOM 313 CA LEU A 20 3.564 5.232 -0.802 1.00 0.00 C ATOM 314 C LEU A 20 3.521 5.794 0.593 1.00 0.00 C ATOM 315 O LEU A 20 3.855 5.161 1.570 1.00 0.00 O ATOM 316 CB LEU A 20 4.927 5.462 -1.431 1.00 0.00 C ATOM 317 CG LEU A 20 5.968 4.498 -0.877 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.728 5.171 0.245 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.331 3.211 -0.346 1.00 0.00 C ATOM 0 H LEU A 20 2.910 6.385 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 20 3.363 4.161 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.855 5.340 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.245 6.488 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 20 6.640 4.231 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.474 4.483 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.224 6.063 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.034 5.452 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.109 2.552 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.632 3.454 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.798 2.709 -1.153 1.00 0.00 H new ATOM 331 N ASP A 21 3.040 6.977 0.660 1.00 0.00 N ATOM 332 CA ASP A 21 2.868 7.653 1.962 1.00 0.00 C ATOM 333 C ASP A 21 1.774 6.918 2.749 1.00 0.00 C ATOM 334 O ASP A 21 1.942 6.640 3.920 1.00 0.00 O ATOM 335 CB ASP A 21 2.467 9.113 1.738 1.00 0.00 C ATOM 336 CG ASP A 21 3.251 9.683 0.555 1.00 0.00 C ATOM 337 OD1 ASP A 21 4.398 9.301 0.391 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.691 10.492 -0.167 1.00 0.00 O ATOM 0 H ASP A 21 2.748 7.526 -0.149 1.00 0.00 H new ATOM 0 HA ASP A 21 3.802 7.634 2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.396 9.181 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.667 9.698 2.636 1.00 0.00 H new ATOM 343 N GLU A 22 0.645 6.589 2.140 1.00 0.00 N ATOM 344 CA GLU A 22 -0.415 5.876 2.902 1.00 0.00 C ATOM 345 C GLU A 22 0.029 4.440 3.165 1.00 0.00 C ATOM 346 O GLU A 22 -0.138 3.915 4.247 1.00 0.00 O ATOM 347 CB GLU A 22 -1.708 5.856 2.096 1.00 0.00 C ATOM 348 CG GLU A 22 -2.360 7.239 2.119 1.00 0.00 C ATOM 349 CD GLU A 22 -1.332 8.304 1.740 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.529 8.650 2.590 1.00 0.00 O ATOM 351 OE2 GLU A 22 -1.371 8.761 0.609 1.00 0.00 O ATOM 0 H GLU A 22 0.426 6.786 1.163 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.584 6.392 3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.501 5.560 1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.392 5.115 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.199 7.267 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.761 7.445 3.111 1.00 0.00 H new ATOM 358 N PHE A 23 0.612 3.813 2.181 1.00 0.00 N ATOM 359 CA PHE A 23 1.092 2.427 2.350 1.00 0.00 C ATOM 360 C PHE A 23 2.324 2.441 3.263 1.00 0.00 C ATOM 361 O PHE A 23 2.629 1.465 3.913 1.00 0.00 O ATOM 362 CB PHE A 23 1.474 1.856 1.002 1.00 0.00 C ATOM 363 CG PHE A 23 1.987 0.449 1.163 1.00 0.00 C ATOM 364 CD1 PHE A 23 3.271 0.238 1.660 1.00 0.00 C ATOM 365 CD2 PHE A 23 1.184 -0.641 0.809 1.00 0.00 C ATOM 366 CE1 PHE A 23 3.762 -1.063 1.808 1.00 0.00 C ATOM 367 CE2 PHE A 23 1.671 -1.943 0.956 1.00 0.00 C ATOM 368 CZ PHE A 23 2.962 -2.156 1.456 1.00 0.00 C ATOM 0 H PHE A 23 0.775 4.214 1.257 1.00 0.00 H new ATOM 0 HA PHE A 23 0.306 1.814 2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.610 1.863 0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.238 2.479 0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.889 1.081 1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.189 -0.476 0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.758 -1.224 2.194 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.052 -2.785 0.684 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.339 -3.162 1.570 1.00 0.00 H new ATOM 378 N ARG A 24 3.025 3.553 3.341 1.00 0.00 N ATOM 379 CA ARG A 24 4.211 3.638 4.247 1.00 0.00 C ATOM 380 C ARG A 24 3.699 3.882 5.665 1.00 0.00 C ATOM 381 O ARG A 24 4.262 3.426 6.631 1.00 0.00 O ATOM 382 CB ARG A 24 5.121 4.781 3.801 1.00 0.00 C ATOM 383 CG ARG A 24 6.197 5.004 4.862 1.00 0.00 C ATOM 384 CD ARG A 24 7.295 5.937 4.332 1.00 0.00 C ATOM 385 NE ARG A 24 7.391 7.174 5.177 1.00 0.00 N ATOM 386 CZ ARG A 24 6.327 7.860 5.508 1.00 0.00 C ATOM 387 NH1 ARG A 24 5.154 7.521 5.055 1.00 0.00 N ATOM 388 NH2 ARG A 24 6.445 8.906 6.281 1.00 0.00 N ATOM 0 H ARG A 24 2.823 4.403 2.814 1.00 0.00 H new ATOM 0 HA ARG A 24 4.789 2.715 4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.582 4.543 2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.539 5.691 3.658 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.748 5.434 5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.633 4.048 5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.253 5.416 4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.079 6.211 3.299 1.00 0.00 H new ATOM 0 HE ARG A 24 8.306 7.487 5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.059 6.715 4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.330 8.061 5.318 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.364 9.185 6.624 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.618 9.444 6.541 1.00 0.00 H new ATOM 402 N GLU A 25 2.583 4.543 5.778 1.00 0.00 N ATOM 403 CA GLU A 25 1.983 4.743 7.123 1.00 0.00 C ATOM 404 C GLU A 25 1.407 3.381 7.477 1.00 0.00 C ATOM 405 O GLU A 25 1.461 2.905 8.591 1.00 0.00 O ATOM 406 CB GLU A 25 0.870 5.792 7.058 1.00 0.00 C ATOM 407 CG GLU A 25 0.569 6.308 8.466 1.00 0.00 C ATOM 408 CD GLU A 25 -0.588 7.308 8.410 1.00 0.00 C ATOM 409 OE1 GLU A 25 -1.726 6.871 8.478 1.00 0.00 O ATOM 410 OE2 GLU A 25 -0.317 8.492 8.299 1.00 0.00 O ATOM 0 H GLU A 25 2.063 4.951 5.001 1.00 0.00 H new ATOM 0 HA GLU A 25 2.705 5.098 7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.172 6.618 6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.028 5.357 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.312 5.476 9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.455 6.784 8.887 1.00 0.00 H new ATOM 417 N VAL A 26 0.891 2.762 6.462 1.00 0.00 N ATOM 418 CA VAL A 26 0.305 1.400 6.535 1.00 0.00 C ATOM 419 C VAL A 26 1.386 0.398 6.897 1.00 0.00 C ATOM 420 O VAL A 26 1.201 -0.507 7.686 1.00 0.00 O ATOM 421 CB VAL A 26 -0.138 1.104 5.100 1.00 0.00 C ATOM 422 CG1 VAL A 26 0.141 -0.336 4.675 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.599 1.394 4.907 1.00 0.00 C ATOM 0 H VAL A 26 0.850 3.171 5.528 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.498 1.337 7.270 1.00 0.00 H new ATOM 0 HB VAL A 26 0.457 1.765 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.195 -0.484 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.211 -0.533 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.394 -1.020 5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.881 1.173 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.186 0.774 5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.792 2.446 5.118 1.00 0.00 H new ATOM 433 N ALA A 27 2.499 0.544 6.255 1.00 0.00 N ATOM 434 CA ALA A 27 3.621 -0.393 6.452 1.00 0.00 C ATOM 435 C ALA A 27 4.348 -0.070 7.753 1.00 0.00 C ATOM 436 O ALA A 27 4.754 -0.941 8.489 1.00 0.00 O ATOM 437 CB ALA A 27 4.581 -0.264 5.266 1.00 0.00 C ATOM 0 H ALA A 27 2.682 1.292 5.586 1.00 0.00 H new ATOM 0 HA ALA A 27 3.245 -1.414 6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.417 -0.951 5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.054 -0.506 4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.957 0.758 5.212 1.00 0.00 H new ATOM 443 N LEU A 28 4.510 1.185 8.034 1.00 0.00 N ATOM 444 CA LEU A 28 5.207 1.582 9.285 1.00 0.00 C ATOM 445 C LEU A 28 4.278 1.353 10.473 1.00 0.00 C ATOM 446 O LEU A 28 4.716 1.045 11.564 1.00 0.00 O ATOM 447 CB LEU A 28 5.575 3.065 9.223 1.00 0.00 C ATOM 448 CG LEU A 28 6.894 3.271 8.452 1.00 0.00 C ATOM 449 CD1 LEU A 28 7.007 2.292 7.274 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.942 4.705 7.917 1.00 0.00 C ATOM 0 H LEU A 28 4.190 1.958 7.451 1.00 0.00 H new ATOM 0 HA LEU A 28 6.112 0.985 9.397 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.774 3.623 8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.673 3.462 10.233 1.00 0.00 H new ATOM 0 HG LEU A 28 7.725 3.088 9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.947 2.461 6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.979 1.268 7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.175 2.451 6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.872 4.858 7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.097 4.873 7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.891 5.406 8.750 1.00 0.00 H new ATOM 462 N ALA A 29 2.998 1.509 10.278 1.00 0.00 N ATOM 463 CA ALA A 29 2.031 1.315 11.393 1.00 0.00 C ATOM 464 C ALA A 29 1.755 -0.172 11.655 1.00 0.00 C ATOM 465 O ALA A 29 1.963 -0.672 12.743 1.00 0.00 O ATOM 466 CB ALA A 29 0.722 1.996 11.000 1.00 0.00 C ATOM 0 H ALA A 29 2.577 1.765 9.385 1.00 0.00 H new ATOM 0 HA ALA A 29 2.453 1.742 12.303 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.008 1.870 11.800 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.900 3.059 10.835 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.338 1.546 10.084 1.00 0.00 H new ATOM 472 N PHE A 30 1.242 -0.867 10.675 1.00 0.00 N ATOM 473 CA PHE A 30 0.893 -2.307 10.863 1.00 0.00 C ATOM 474 C PHE A 30 2.140 -3.192 10.806 1.00 0.00 C ATOM 475 O PHE A 30 2.366 -4.011 11.675 1.00 0.00 O ATOM 476 CB PHE A 30 -0.075 -2.733 9.756 1.00 0.00 C ATOM 477 CG PHE A 30 -0.759 -4.022 10.145 1.00 0.00 C ATOM 478 CD1 PHE A 30 -0.064 -5.234 10.058 1.00 0.00 C ATOM 479 CD2 PHE A 30 -2.085 -4.005 10.590 1.00 0.00 C ATOM 480 CE1 PHE A 30 -0.697 -6.430 10.419 1.00 0.00 C ATOM 481 CE2 PHE A 30 -2.719 -5.200 10.951 1.00 0.00 C ATOM 482 CZ PHE A 30 -2.025 -6.413 10.864 1.00 0.00 C ATOM 0 H PHE A 30 1.048 -0.496 9.745 1.00 0.00 H new ATOM 0 HA PHE A 30 0.432 -2.426 11.844 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.817 -1.953 9.589 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.465 -2.865 8.819 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.959 -5.247 9.713 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.620 -3.069 10.655 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.161 -7.365 10.354 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.742 -5.186 11.296 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.514 -7.336 11.140 1.00 0.00 H new ATOM 492 N SER A 31 2.942 -3.045 9.789 1.00 0.00 N ATOM 493 CA SER A 31 4.170 -3.884 9.669 1.00 0.00 C ATOM 494 C SER A 31 5.404 -2.988 9.778 1.00 0.00 C ATOM 495 O SER A 31 6.124 -2.797 8.818 1.00 0.00 O ATOM 496 CB SER A 31 4.161 -4.589 8.307 1.00 0.00 C ATOM 497 OG SER A 31 3.547 -5.865 8.446 1.00 0.00 O ATOM 0 H SER A 31 2.800 -2.377 9.031 1.00 0.00 H new ATOM 0 HA SER A 31 4.194 -4.628 10.465 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.619 -3.989 7.577 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.179 -4.701 7.935 1.00 0.00 H new ATOM 0 HG SER A 31 3.537 -6.320 7.578 1.00 0.00 H new ATOM 503 N PRO A 32 5.645 -2.428 10.934 1.00 0.00 N ATOM 504 CA PRO A 32 6.805 -1.524 11.155 1.00 0.00 C ATOM 505 C PRO A 32 8.119 -2.169 10.720 1.00 0.00 C ATOM 506 O PRO A 32 9.099 -1.494 10.477 1.00 0.00 O ATOM 507 CB PRO A 32 6.802 -1.248 12.670 1.00 0.00 C ATOM 508 CG PRO A 32 5.834 -2.222 13.265 1.00 0.00 C ATOM 509 CD PRO A 32 4.850 -2.594 12.159 1.00 0.00 C ATOM 0 HA PRO A 32 6.721 -0.611 10.565 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.798 -1.380 13.093 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.501 -0.222 12.879 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.353 -3.106 13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.313 -1.780 14.114 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.488 -3.616 12.269 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.975 -1.944 12.163 1.00 0.00 H new ATOM 517 N TYR A 33 8.157 -3.471 10.618 1.00 0.00 N ATOM 518 CA TYR A 33 9.413 -4.139 10.199 1.00 0.00 C ATOM 519 C TYR A 33 9.611 -3.963 8.692 1.00 0.00 C ATOM 520 O TYR A 33 10.654 -4.286 8.157 1.00 0.00 O ATOM 521 CB TYR A 33 9.329 -5.628 10.538 1.00 0.00 C ATOM 522 CG TYR A 33 8.724 -5.791 11.912 1.00 0.00 C ATOM 523 CD1 TYR A 33 9.519 -5.624 13.052 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.367 -6.112 12.047 1.00 0.00 C ATOM 525 CE1 TYR A 33 8.959 -5.776 14.326 1.00 0.00 C ATOM 526 CE2 TYR A 33 6.807 -6.263 13.322 1.00 0.00 C ATOM 527 CZ TYR A 33 7.603 -6.095 14.462 1.00 0.00 C ATOM 528 OH TYR A 33 7.050 -6.244 15.718 1.00 0.00 O ATOM 0 H TYR A 33 7.373 -4.095 10.807 1.00 0.00 H new ATOM 0 HA TYR A 33 10.257 -3.693 10.724 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.723 -6.148 9.797 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.322 -6.076 10.509 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.565 -5.378 12.949 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.753 -6.243 11.168 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.574 -5.647 15.205 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.761 -6.509 13.426 1.00 0.00 H new ATOM 0 HH TYR A 33 6.099 -6.464 15.633 1.00 0.00 H new ATOM 538 N PHE A 34 8.633 -3.441 7.997 1.00 0.00 N ATOM 539 CA PHE A 34 8.813 -3.248 6.531 1.00 0.00 C ATOM 540 C PHE A 34 9.897 -2.221 6.327 1.00 0.00 C ATOM 541 O PHE A 34 9.826 -1.112 6.817 1.00 0.00 O ATOM 542 CB PHE A 34 7.519 -2.732 5.861 1.00 0.00 C ATOM 543 CG PHE A 34 6.966 -3.757 4.898 1.00 0.00 C ATOM 544 CD1 PHE A 34 7.770 -4.256 3.867 1.00 0.00 C ATOM 545 CD2 PHE A 34 5.648 -4.205 5.035 1.00 0.00 C ATOM 546 CE1 PHE A 34 7.256 -5.204 2.975 1.00 0.00 C ATOM 547 CE2 PHE A 34 5.133 -5.153 4.144 1.00 0.00 C ATOM 548 CZ PHE A 34 5.938 -5.654 3.115 1.00 0.00 C ATOM 0 H PHE A 34 7.733 -3.145 8.375 1.00 0.00 H new ATOM 0 HA PHE A 34 9.071 -4.207 6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.775 -2.505 6.624 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.725 -1.802 5.331 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.787 -3.909 3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.027 -3.819 5.830 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.876 -5.588 2.179 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.115 -5.498 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.542 -6.388 2.429 1.00 0.00 H new ATOM 558 N THR A 35 10.902 -2.582 5.606 1.00 0.00 N ATOM 559 CA THR A 35 11.986 -1.625 5.375 1.00 0.00 C ATOM 560 C THR A 35 11.556 -0.645 4.311 1.00 0.00 C ATOM 561 O THR A 35 10.880 -0.985 3.361 1.00 0.00 O ATOM 562 CB THR A 35 13.244 -2.362 4.943 1.00 0.00 C ATOM 563 OG1 THR A 35 12.965 -3.750 4.817 1.00 0.00 O ATOM 564 CG2 THR A 35 14.294 -2.139 6.009 1.00 0.00 C ATOM 0 H THR A 35 11.017 -3.496 5.169 1.00 0.00 H new ATOM 0 HA THR A 35 12.205 -1.084 6.295 1.00 0.00 H new ATOM 0 HB THR A 35 13.597 -1.993 3.980 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.776 -4.223 4.537 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.212 -2.656 5.729 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.494 -1.072 6.106 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.934 -2.528 6.961 1.00 0.00 H new ATOM 572 N GLN A 36 11.934 0.574 4.475 1.00 0.00 N ATOM 573 CA GLN A 36 11.548 1.602 3.501 1.00 0.00 C ATOM 574 C GLN A 36 11.967 1.172 2.106 1.00 0.00 C ATOM 575 O GLN A 36 11.310 1.475 1.139 1.00 0.00 O ATOM 576 CB GLN A 36 12.252 2.891 3.878 1.00 0.00 C ATOM 577 CG GLN A 36 11.616 4.067 3.132 1.00 0.00 C ATOM 578 CD GLN A 36 10.093 4.019 3.257 1.00 0.00 C ATOM 579 OE1 GLN A 36 9.569 3.651 4.290 1.00 0.00 O ATOM 580 NE2 GLN A 36 9.357 4.379 2.242 1.00 0.00 N ATOM 0 H GLN A 36 12.502 0.907 5.254 1.00 0.00 H new ATOM 0 HA GLN A 36 10.468 1.746 3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.184 3.052 4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.312 2.823 3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.991 5.007 3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.902 4.036 2.081 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.799 4.688 1.376 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.340 4.352 2.314 1.00 0.00 H new ATOM 589 N GLU A 37 13.040 0.445 2.006 1.00 0.00 N ATOM 590 CA GLU A 37 13.492 -0.027 0.669 1.00 0.00 C ATOM 591 C GLU A 37 12.523 -1.106 0.192 1.00 0.00 C ATOM 592 O GLU A 37 12.208 -1.199 -0.977 1.00 0.00 O ATOM 593 CB GLU A 37 14.905 -0.607 0.773 1.00 0.00 C ATOM 594 CG GLU A 37 15.505 -0.743 -0.628 1.00 0.00 C ATOM 595 CD GLU A 37 16.828 -1.508 -0.544 1.00 0.00 C ATOM 596 OE1 GLU A 37 16.889 -2.465 0.209 1.00 0.00 O ATOM 597 OE2 GLU A 37 17.756 -1.124 -1.237 1.00 0.00 O ATOM 0 H GLU A 37 13.625 0.156 2.790 1.00 0.00 H new ATOM 0 HA GLU A 37 13.509 0.803 -0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.531 0.040 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.875 -1.580 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.810 -1.268 -1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.670 0.243 -1.062 1.00 0.00 H new ATOM 604 N ASP A 38 12.032 -1.913 1.091 1.00 0.00 N ATOM 605 CA ASP A 38 11.069 -2.972 0.688 1.00 0.00 C ATOM 606 C ASP A 38 9.714 -2.327 0.387 1.00 0.00 C ATOM 607 O ASP A 38 9.020 -2.733 -0.516 1.00 0.00 O ATOM 608 CB ASP A 38 10.915 -3.983 1.825 1.00 0.00 C ATOM 609 CG ASP A 38 12.135 -4.904 1.861 1.00 0.00 C ATOM 610 OD1 ASP A 38 13.240 -4.393 1.786 1.00 0.00 O ATOM 611 OD2 ASP A 38 11.945 -6.105 1.965 1.00 0.00 O ATOM 0 H ASP A 38 12.256 -1.884 2.086 1.00 0.00 H new ATOM 0 HA ASP A 38 11.437 -3.485 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.812 -3.462 2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.008 -4.570 1.683 1.00 0.00 H new ATOM 616 N ILE A 39 9.342 -1.322 1.142 1.00 0.00 N ATOM 617 CA ILE A 39 8.031 -0.631 0.916 1.00 0.00 C ATOM 618 C ILE A 39 8.103 0.184 -0.365 1.00 0.00 C ATOM 619 O ILE A 39 7.189 0.200 -1.154 1.00 0.00 O ATOM 620 CB ILE A 39 7.762 0.310 2.094 1.00 0.00 C ATOM 621 CG1 ILE A 39 7.814 -0.489 3.385 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.377 0.952 1.985 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.255 0.423 4.547 1.00 0.00 C ATOM 0 H ILE A 39 9.895 -0.947 1.913 1.00 0.00 H new ATOM 0 HA ILE A 39 7.233 -1.369 0.833 1.00 0.00 H new ATOM 0 HB ILE A 39 8.519 1.095 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.834 -0.917 3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.510 -1.322 3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.215 1.614 2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.314 1.526 1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.614 0.173 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.290 -0.155 5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.244 0.830 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.543 1.241 4.658 1.00 0.00 H new ATOM 635 N VAL A 40 9.185 0.873 -0.567 1.00 0.00 N ATOM 636 CA VAL A 40 9.326 1.689 -1.787 1.00 0.00 C ATOM 637 C VAL A 40 9.621 0.777 -2.962 1.00 0.00 C ATOM 638 O VAL A 40 9.105 0.967 -4.035 1.00 0.00 O ATOM 639 CB VAL A 40 10.421 2.700 -1.575 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.988 3.581 -0.414 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.726 1.990 -1.259 1.00 0.00 C ATOM 0 H VAL A 40 9.982 0.903 0.069 1.00 0.00 H new ATOM 0 HA VAL A 40 8.404 2.228 -2.003 1.00 0.00 H new ATOM 0 HB VAL A 40 10.586 3.302 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.754 4.333 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.049 4.075 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.851 2.968 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.514 2.728 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.606 1.395 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.995 1.337 -2.089 1.00 0.00 H new ATOM 651 N LYS A 41 10.397 -0.255 -2.779 1.00 0.00 N ATOM 652 CA LYS A 41 10.603 -1.170 -3.927 1.00 0.00 C ATOM 653 C LYS A 41 9.219 -1.715 -4.218 1.00 0.00 C ATOM 654 O LYS A 41 8.702 -1.614 -5.309 1.00 0.00 O ATOM 655 CB LYS A 41 11.534 -2.322 -3.542 1.00 0.00 C ATOM 656 CG LYS A 41 11.916 -3.109 -4.797 1.00 0.00 C ATOM 657 CD LYS A 41 12.831 -4.273 -4.411 1.00 0.00 C ATOM 658 CE LYS A 41 12.987 -5.217 -5.604 1.00 0.00 C ATOM 659 NZ LYS A 41 13.943 -6.306 -5.255 1.00 0.00 N ATOM 0 H LYS A 41 10.881 -0.497 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 41 11.057 -0.664 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.429 -1.934 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.041 -2.978 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.020 -3.485 -5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.421 -2.456 -5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.806 -3.896 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.413 -4.811 -3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.020 -5.641 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.348 -4.666 -6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.049 -6.948 -6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.867 -5.893 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.580 -6.838 -4.438 1.00 0.00 H new ATOM 673 N PHE A 42 8.623 -2.280 -3.210 1.00 0.00 N ATOM 674 CA PHE A 42 7.260 -2.850 -3.313 1.00 0.00 C ATOM 675 C PHE A 42 6.303 -1.825 -3.935 1.00 0.00 C ATOM 676 O PHE A 42 5.632 -2.094 -4.910 1.00 0.00 O ATOM 677 CB PHE A 42 6.823 -3.158 -1.865 1.00 0.00 C ATOM 678 CG PHE A 42 7.252 -4.555 -1.473 1.00 0.00 C ATOM 679 CD1 PHE A 42 8.460 -5.084 -1.951 1.00 0.00 C ATOM 680 CD2 PHE A 42 6.443 -5.321 -0.626 1.00 0.00 C ATOM 681 CE1 PHE A 42 8.853 -6.376 -1.582 1.00 0.00 C ATOM 682 CE2 PHE A 42 6.838 -6.613 -0.257 1.00 0.00 C ATOM 683 CZ PHE A 42 8.043 -7.140 -0.735 1.00 0.00 C ATOM 0 H PHE A 42 9.044 -2.372 -2.285 1.00 0.00 H new ATOM 0 HA PHE A 42 7.246 -3.741 -3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 42 7.262 -2.430 -1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.741 -3.064 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.087 -4.495 -2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.513 -4.915 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.782 -6.783 -1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.212 -7.203 0.397 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.348 -8.136 -0.450 1.00 0.00 H new ATOM 693 N PHE A 43 6.221 -0.669 -3.352 1.00 0.00 N ATOM 694 CA PHE A 43 5.293 0.379 -3.863 1.00 0.00 C ATOM 695 C PHE A 43 5.765 0.912 -5.213 1.00 0.00 C ATOM 696 O PHE A 43 5.025 0.949 -6.177 1.00 0.00 O ATOM 697 CB PHE A 43 5.290 1.500 -2.846 1.00 0.00 C ATOM 698 CG PHE A 43 4.469 2.662 -3.333 1.00 0.00 C ATOM 699 CD1 PHE A 43 4.965 3.521 -4.315 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.225 2.909 -2.760 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.206 4.616 -4.723 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.473 4.006 -3.165 1.00 0.00 C ATOM 703 CZ PHE A 43 2.962 4.859 -4.147 1.00 0.00 C ATOM 0 H PHE A 43 6.763 -0.398 -2.532 1.00 0.00 H new ATOM 0 HA PHE A 43 4.295 -0.036 -4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.889 1.137 -1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.312 1.826 -2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.933 3.338 -4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.842 2.246 -1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.584 5.278 -5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.509 4.195 -2.716 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.377 5.710 -4.463 1.00 0.00 H new ATOM 713 N GLU A 44 6.999 1.299 -5.291 1.00 0.00 N ATOM 714 CA GLU A 44 7.527 1.802 -6.589 1.00 0.00 C ATOM 715 C GLU A 44 7.321 0.694 -7.624 1.00 0.00 C ATOM 716 O GLU A 44 7.119 0.941 -8.797 1.00 0.00 O ATOM 717 CB GLU A 44 9.019 2.127 -6.471 1.00 0.00 C ATOM 718 CG GLU A 44 9.228 3.228 -5.424 1.00 0.00 C ATOM 719 CD GLU A 44 9.027 4.600 -6.074 1.00 0.00 C ATOM 720 OE1 GLU A 44 9.971 5.100 -6.658 1.00 0.00 O ATOM 721 OE2 GLU A 44 7.929 5.123 -5.976 1.00 0.00 O ATOM 0 H GLU A 44 7.666 1.291 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 44 7.007 2.714 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.574 1.233 -6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.408 2.451 -7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.526 3.098 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.231 3.157 -5.003 1.00 0.00 H new ATOM 728 N GLU A 45 7.368 -0.529 -7.175 1.00 0.00 N ATOM 729 CA GLU A 45 7.175 -1.693 -8.069 1.00 0.00 C ATOM 730 C GLU A 45 5.688 -1.894 -8.359 1.00 0.00 C ATOM 731 O GLU A 45 5.300 -2.289 -9.442 1.00 0.00 O ATOM 732 CB GLU A 45 7.692 -2.928 -7.342 1.00 0.00 C ATOM 733 CG GLU A 45 7.274 -4.178 -8.102 1.00 0.00 C ATOM 734 CD GLU A 45 8.078 -5.380 -7.599 1.00 0.00 C ATOM 735 OE1 GLU A 45 7.630 -6.014 -6.658 1.00 0.00 O ATOM 736 OE2 GLU A 45 9.125 -5.647 -8.164 1.00 0.00 O ATOM 0 H GLU A 45 7.537 -0.771 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 45 7.705 -1.529 -9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.778 -2.886 -7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.296 -2.958 -6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.208 -4.359 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.440 -4.038 -9.170 1.00 0.00 H new ATOM 743 N ILE A 46 4.855 -1.664 -7.380 1.00 0.00 N ATOM 744 CA ILE A 46 3.396 -1.885 -7.574 1.00 0.00 C ATOM 745 C ILE A 46 2.721 -0.607 -8.084 1.00 0.00 C ATOM 746 O ILE A 46 1.770 -0.666 -8.835 1.00 0.00 O ATOM 747 CB ILE A 46 2.781 -2.342 -6.243 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.765 -3.459 -6.510 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.090 -1.181 -5.544 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.498 -4.779 -6.772 1.00 0.00 C ATOM 0 H ILE A 46 5.124 -1.332 -6.454 1.00 0.00 H new ATOM 0 HA ILE A 46 3.238 -2.659 -8.325 1.00 0.00 H new ATOM 0 HB ILE A 46 3.577 -2.711 -5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.097 -3.567 -5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.145 -3.201 -7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.661 -1.526 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.816 -0.393 -5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.297 -0.791 -6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.770 -5.568 -6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.147 -4.669 -7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.099 -5.041 -5.901 1.00 0.00 H new ATOM 762 N ASP A 47 3.215 0.548 -7.727 1.00 0.00 N ATOM 763 CA ASP A 47 2.592 1.790 -8.257 1.00 0.00 C ATOM 764 C ASP A 47 2.925 1.837 -9.740 1.00 0.00 C ATOM 765 O ASP A 47 3.851 2.500 -10.161 1.00 0.00 O ATOM 766 CB ASP A 47 3.180 3.015 -7.549 1.00 0.00 C ATOM 767 CG ASP A 47 2.716 4.288 -8.259 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.569 4.661 -8.074 1.00 0.00 O ATOM 769 OD2 ASP A 47 3.514 4.866 -8.978 1.00 0.00 O ATOM 0 H ASP A 47 4.010 0.683 -7.102 1.00 0.00 H new ATOM 0 HA ASP A 47 1.515 1.795 -8.092 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.864 3.032 -6.506 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.269 2.961 -7.551 1.00 0.00 H new ATOM 774 N VAL A 48 2.215 1.086 -10.534 1.00 0.00 N ATOM 775 CA VAL A 48 2.507 1.003 -12.000 1.00 0.00 C ATOM 776 C VAL A 48 1.973 2.182 -12.795 1.00 0.00 C ATOM 777 O VAL A 48 2.439 2.474 -13.878 1.00 0.00 O ATOM 778 CB VAL A 48 1.769 -0.219 -12.532 1.00 0.00 C ATOM 779 CG1 VAL A 48 0.264 -0.058 -12.266 1.00 0.00 C ATOM 780 CG2 VAL A 48 1.991 -0.328 -14.040 1.00 0.00 C ATOM 0 H VAL A 48 1.429 0.514 -10.227 1.00 0.00 H new ATOM 0 HA VAL A 48 3.591 0.972 -12.112 1.00 0.00 H new ATOM 0 HB VAL A 48 2.143 -1.114 -12.035 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.268 -0.931 -12.645 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.092 0.034 -11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.101 0.837 -12.770 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.464 -1.202 -14.423 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.611 0.569 -14.529 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.057 -0.429 -14.245 1.00 0.00 H new ATOM 790 N ASP A 49 0.963 2.810 -12.318 1.00 0.00 N ATOM 791 CA ASP A 49 0.360 3.909 -13.104 1.00 0.00 C ATOM 792 C ASP A 49 1.234 5.142 -12.980 1.00 0.00 C ATOM 793 O ASP A 49 1.135 6.073 -13.751 1.00 0.00 O ATOM 794 CB ASP A 49 -1.065 4.137 -12.592 1.00 0.00 C ATOM 795 CG ASP A 49 -1.302 5.609 -12.252 1.00 0.00 C ATOM 796 OD1 ASP A 49 -1.051 6.445 -13.105 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.738 5.872 -11.145 1.00 0.00 O ATOM 0 H ASP A 49 0.521 2.618 -11.419 1.00 0.00 H new ATOM 0 HA ASP A 49 0.300 3.664 -14.164 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.782 3.816 -13.348 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.239 3.524 -11.707 1.00 0.00 H new ATOM 802 N GLY A 50 2.129 5.130 -12.044 1.00 0.00 N ATOM 803 CA GLY A 50 3.061 6.261 -11.886 1.00 0.00 C ATOM 804 C GLY A 50 2.359 7.495 -11.323 1.00 0.00 C ATOM 805 O GLY A 50 2.933 8.563 -11.266 1.00 0.00 O ATOM 0 H GLY A 50 2.254 4.372 -11.373 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.876 5.971 -11.223 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.506 6.504 -12.851 1.00 0.00 H new ATOM 809 N ASN A 51 1.141 7.373 -10.877 1.00 0.00 N ATOM 810 CA ASN A 51 0.463 8.559 -10.294 1.00 0.00 C ATOM 811 C ASN A 51 1.026 8.746 -8.896 1.00 0.00 C ATOM 812 O ASN A 51 0.651 9.640 -8.164 1.00 0.00 O ATOM 813 CB ASN A 51 -1.047 8.325 -10.217 1.00 0.00 C ATOM 814 CG ASN A 51 -1.723 9.563 -9.625 1.00 0.00 C ATOM 815 OD1 ASN A 51 -1.126 10.620 -9.551 1.00 0.00 O ATOM 816 ND2 ASN A 51 -2.953 9.477 -9.195 1.00 0.00 N ATOM 0 H ASN A 51 0.592 6.513 -10.891 1.00 0.00 H new ATOM 0 HA ASN A 51 0.633 9.442 -10.910 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.445 8.119 -11.211 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.260 7.451 -9.601 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.413 10.296 -8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.454 8.591 -9.257 1.00 0.00 H new ATOM 823 N GLY A 52 1.940 7.891 -8.528 1.00 0.00 N ATOM 824 CA GLY A 52 2.556 7.983 -7.185 1.00 0.00 C ATOM 825 C GLY A 52 1.601 7.397 -6.148 1.00 0.00 C ATOM 826 O GLY A 52 1.662 7.732 -4.983 1.00 0.00 O ATOM 0 H GLY A 52 2.286 7.128 -9.109 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.503 7.443 -7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.778 9.023 -6.945 1.00 0.00 H new ATOM 830 N GLU A 53 0.695 6.548 -6.562 1.00 0.00 N ATOM 831 CA GLU A 53 -0.277 5.973 -5.586 1.00 0.00 C ATOM 832 C GLU A 53 -0.636 4.533 -5.944 1.00 0.00 C ATOM 833 O GLU A 53 -0.535 4.115 -7.082 1.00 0.00 O ATOM 834 CB GLU A 53 -1.558 6.830 -5.583 1.00 0.00 C ATOM 835 CG GLU A 53 -1.235 8.258 -6.035 1.00 0.00 C ATOM 836 CD GLU A 53 -2.501 9.112 -5.968 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.412 8.731 -5.250 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.540 10.133 -6.634 1.00 0.00 O ATOM 0 H GLU A 53 0.587 6.231 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 53 0.185 5.975 -4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.302 6.389 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.992 6.846 -4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.461 8.686 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.843 8.249 -7.052 1.00 0.00 H new ATOM 845 N LEU A 54 -1.061 3.772 -4.965 1.00 0.00 N ATOM 846 CA LEU A 54 -1.436 2.367 -5.221 1.00 0.00 C ATOM 847 C LEU A 54 -2.825 2.314 -5.822 1.00 0.00 C ATOM 848 O LEU A 54 -3.793 2.706 -5.215 1.00 0.00 O ATOM 849 CB LEU A 54 -1.513 1.625 -3.900 1.00 0.00 C ATOM 850 CG LEU A 54 -0.149 1.462 -3.239 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.018 1.550 -4.242 1.00 0.00 C ATOM 852 CD2 LEU A 54 -0.052 2.531 -2.185 1.00 0.00 C ATOM 0 H LEU A 54 -1.161 4.076 -3.996 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.698 1.925 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.178 2.162 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.953 0.641 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.066 0.467 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.963 1.427 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.915 0.763 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.002 2.522 -4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.911 2.457 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.143 3.512 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.854 2.400 -1.459 1.00 0.00 H new ATOM 864 N ASN A 55 -2.925 1.823 -7.006 1.00 0.00 N ATOM 865 CA ASN A 55 -4.266 1.731 -7.654 1.00 0.00 C ATOM 866 C ASN A 55 -5.004 0.511 -7.109 1.00 0.00 C ATOM 867 O ASN A 55 -4.491 -0.227 -6.292 1.00 0.00 O ATOM 868 CB ASN A 55 -4.143 1.605 -9.174 1.00 0.00 C ATOM 869 CG ASN A 55 -2.696 1.313 -9.562 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.785 1.984 -9.121 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.448 0.327 -10.377 1.00 0.00 N ATOM 0 H ASN A 55 -2.144 1.478 -7.564 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.818 2.644 -7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.792 0.807 -9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.476 2.527 -9.651 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.487 0.117 -10.646 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.215 -0.235 -10.746 1.00 0.00 H new ATOM 878 N ALA A 56 -6.211 0.310 -7.555 1.00 0.00 N ATOM 879 CA ALA A 56 -7.029 -0.841 -7.063 1.00 0.00 C ATOM 880 C ALA A 56 -6.396 -2.195 -7.449 1.00 0.00 C ATOM 881 O ALA A 56 -6.069 -3.000 -6.592 1.00 0.00 O ATOM 882 CB ALA A 56 -8.439 -0.697 -7.635 1.00 0.00 C ATOM 0 H ALA A 56 -6.674 0.899 -8.247 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.068 -0.826 -5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.058 -1.526 -7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.874 0.244 -7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.393 -0.707 -8.724 1.00 0.00 H new ATOM 888 N ASP A 57 -6.221 -2.483 -8.708 1.00 0.00 N ATOM 889 CA ASP A 57 -5.621 -3.804 -9.068 1.00 0.00 C ATOM 890 C ASP A 57 -4.246 -3.947 -8.404 1.00 0.00 C ATOM 891 O ASP A 57 -3.882 -5.000 -7.904 1.00 0.00 O ATOM 892 CB ASP A 57 -5.462 -3.892 -10.587 1.00 0.00 C ATOM 893 CG ASP A 57 -5.063 -5.315 -10.978 1.00 0.00 C ATOM 894 OD1 ASP A 57 -4.721 -6.079 -10.088 1.00 0.00 O ATOM 895 OD2 ASP A 57 -5.105 -5.620 -12.159 1.00 0.00 O ATOM 0 H ASP A 57 -6.461 -1.876 -9.492 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.275 -4.604 -8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.396 -3.617 -11.077 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.705 -3.185 -10.925 1.00 0.00 H new ATOM 900 N GLU A 58 -3.482 -2.894 -8.395 1.00 0.00 N ATOM 901 CA GLU A 58 -2.136 -2.960 -7.771 1.00 0.00 C ATOM 902 C GLU A 58 -2.313 -3.053 -6.263 1.00 0.00 C ATOM 903 O GLU A 58 -1.518 -3.651 -5.565 1.00 0.00 O ATOM 904 CB GLU A 58 -1.319 -1.720 -8.143 1.00 0.00 C ATOM 905 CG GLU A 58 -0.836 -1.828 -9.591 1.00 0.00 C ATOM 906 CD GLU A 58 0.111 -3.021 -9.749 1.00 0.00 C ATOM 907 OE1 GLU A 58 -0.376 -4.111 -9.997 1.00 0.00 O ATOM 908 OE2 GLU A 58 1.309 -2.821 -9.632 1.00 0.00 O ATOM 0 H GLU A 58 -3.732 -1.989 -8.794 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.597 -3.835 -8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.926 -0.823 -8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.465 -1.622 -7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.690 -1.942 -10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.326 -0.909 -9.881 1.00 0.00 H new ATOM 915 N PHE A 59 -3.364 -2.478 -5.757 1.00 0.00 N ATOM 916 CA PHE A 59 -3.616 -2.544 -4.296 1.00 0.00 C ATOM 917 C PHE A 59 -3.617 -4.007 -3.873 1.00 0.00 C ATOM 918 O PHE A 59 -3.059 -4.376 -2.859 1.00 0.00 O ATOM 919 CB PHE A 59 -5.013 -2.002 -4.008 1.00 0.00 C ATOM 920 CG PHE A 59 -4.958 -0.588 -3.541 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.182 -0.240 -2.442 1.00 0.00 C ATOM 922 CD2 PHE A 59 -5.696 0.379 -4.211 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.149 1.080 -2.024 1.00 0.00 C ATOM 924 CE2 PHE A 59 -5.662 1.686 -3.800 1.00 0.00 C ATOM 925 CZ PHE A 59 -4.893 2.047 -2.713 1.00 0.00 C ATOM 0 H PHE A 59 -4.061 -1.963 -6.295 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.854 -1.971 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.624 -2.067 -4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.496 -2.619 -3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.610 -0.992 -1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.300 0.099 -5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.552 1.363 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.237 2.433 -4.327 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.864 3.078 -2.392 1.00 0.00 H new ATOM 935 N THR A 60 -4.250 -4.848 -4.650 1.00 0.00 N ATOM 936 CA THR A 60 -4.299 -6.291 -4.297 1.00 0.00 C ATOM 937 C THR A 60 -2.919 -6.896 -4.472 1.00 0.00 C ATOM 938 O THR A 60 -2.405 -7.553 -3.594 1.00 0.00 O ATOM 939 CB THR A 60 -5.298 -6.993 -5.209 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.790 -7.029 -6.536 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.610 -6.217 -5.181 1.00 0.00 C ATOM 0 H THR A 60 -4.733 -4.595 -5.512 1.00 0.00 H new ATOM 0 HA THR A 60 -4.612 -6.412 -3.260 1.00 0.00 H new ATOM 0 HB THR A 60 -5.463 -8.015 -4.866 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.818 -6.128 -6.922 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.336 -6.707 -5.829 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.994 -6.189 -4.161 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.438 -5.199 -5.532 1.00 0.00 H new ATOM 949 N SER A 61 -2.303 -6.666 -5.590 1.00 0.00 N ATOM 950 CA SER A 61 -0.943 -7.218 -5.794 1.00 0.00 C ATOM 951 C SER A 61 -0.002 -6.603 -4.757 1.00 0.00 C ATOM 952 O SER A 61 1.040 -7.155 -4.425 1.00 0.00 O ATOM 953 CB SER A 61 -0.452 -6.858 -7.196 1.00 0.00 C ATOM 954 OG SER A 61 0.692 -7.641 -7.509 1.00 0.00 O ATOM 0 H SER A 61 -2.679 -6.123 -6.367 1.00 0.00 H new ATOM 0 HA SER A 61 -0.963 -8.302 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.240 -7.037 -7.927 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.206 -5.797 -7.246 1.00 0.00 H new ATOM 0 HG SER A 61 1.008 -7.413 -8.408 1.00 0.00 H new ATOM 960 N CYS A 62 -0.385 -5.495 -4.177 1.00 0.00 N ATOM 961 CA CYS A 62 0.481 -4.877 -3.136 1.00 0.00 C ATOM 962 C CYS A 62 0.344 -5.672 -1.848 1.00 0.00 C ATOM 963 O CYS A 62 1.315 -6.116 -1.268 1.00 0.00 O ATOM 964 CB CYS A 62 0.044 -3.430 -2.893 1.00 0.00 C ATOM 965 SG CYS A 62 1.336 -2.557 -1.975 1.00 0.00 S ATOM 0 H CYS A 62 -1.252 -4.997 -4.378 1.00 0.00 H new ATOM 0 HA CYS A 62 1.519 -4.884 -3.469 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.142 -2.930 -3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.891 -3.410 -2.334 1.00 0.00 H new ATOM 0 HG CYS A 62 0.849 -2.117 -0.853 1.00 0.00 H new ATOM 971 N ILE A 63 -0.862 -5.855 -1.396 1.00 0.00 N ATOM 972 CA ILE A 63 -1.068 -6.622 -0.147 1.00 0.00 C ATOM 973 C ILE A 63 -0.725 -8.081 -0.399 1.00 0.00 C ATOM 974 O ILE A 63 -0.140 -8.726 0.446 1.00 0.00 O ATOM 975 CB ILE A 63 -2.521 -6.477 0.321 1.00 0.00 C ATOM 976 CG1 ILE A 63 -2.642 -5.202 1.157 1.00 0.00 C ATOM 977 CG2 ILE A 63 -2.930 -7.684 1.170 1.00 0.00 C ATOM 978 CD1 ILE A 63 -2.020 -4.040 0.389 1.00 0.00 C ATOM 0 H ILE A 63 -1.712 -5.506 -1.839 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.419 -6.235 0.638 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.177 -6.423 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.690 -4.992 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.139 -5.332 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.964 -7.567 1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.837 -8.594 0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.281 -7.752 2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.103 -3.128 0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.969 -4.253 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.543 -3.908 -0.558 1.00 0.00 H new ATOM 990 N GLU A 64 -1.055 -8.629 -1.541 1.00 0.00 N ATOM 991 CA GLU A 64 -0.701 -10.043 -1.781 1.00 0.00 C ATOM 992 C GLU A 64 0.813 -10.177 -1.751 1.00 0.00 C ATOM 993 O GLU A 64 1.334 -11.246 -1.500 1.00 0.00 O ATOM 994 CB GLU A 64 -1.231 -10.476 -3.150 1.00 0.00 C ATOM 995 CG GLU A 64 -1.193 -12.002 -3.252 1.00 0.00 C ATOM 996 CD GLU A 64 -1.554 -12.427 -4.677 1.00 0.00 C ATOM 997 OE1 GLU A 64 -2.720 -12.329 -5.026 1.00 0.00 O ATOM 998 OE2 GLU A 64 -0.660 -12.842 -5.394 1.00 0.00 O ATOM 0 H GLU A 64 -1.547 -8.160 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.144 -10.676 -1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.251 -10.117 -3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.628 -10.033 -3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.201 -12.370 -2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.893 -12.442 -2.541 1.00 0.00 H new ATOM 1005 N LYS A 65 1.544 -9.107 -1.974 1.00 0.00 N ATOM 1006 CA LYS A 65 3.027 -9.246 -1.906 1.00 0.00 C ATOM 1007 C LYS A 65 3.389 -9.853 -0.536 1.00 0.00 C ATOM 1008 O LYS A 65 4.537 -10.102 -0.238 1.00 0.00 O ATOM 1009 CB LYS A 65 3.694 -7.868 -2.077 1.00 0.00 C ATOM 1010 CG LYS A 65 4.970 -7.999 -2.941 1.00 0.00 C ATOM 1011 CD LYS A 65 4.923 -7.033 -4.137 1.00 0.00 C ATOM 1012 CE LYS A 65 5.526 -5.685 -3.739 1.00 0.00 C ATOM 1013 NZ LYS A 65 5.246 -4.683 -4.805 1.00 0.00 N ATOM 0 H LYS A 65 1.189 -8.176 -2.193 1.00 0.00 H new ATOM 0 HA LYS A 65 3.384 -9.895 -2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.997 -7.174 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.947 -7.454 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.850 -7.789 -2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.068 -9.024 -3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.474 -7.454 -4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.893 -6.898 -4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.104 -5.351 -2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.601 -5.785 -3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.143 -4.293 -5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.735 -5.141 -5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.664 -3.914 -4.415 1.00 0.00 H new ATOM 1027 N MET A 66 2.385 -10.118 0.266 1.00 0.00 N ATOM 1028 CA MET A 66 2.637 -10.748 1.606 1.00 0.00 C ATOM 1029 C MET A 66 1.439 -10.669 2.556 1.00 0.00 C ATOM 1030 O MET A 66 1.603 -10.857 3.745 1.00 0.00 O ATOM 1031 CB MET A 66 3.834 -10.048 2.277 1.00 0.00 C ATOM 1032 CG MET A 66 5.125 -10.855 2.060 1.00 0.00 C ATOM 1033 SD MET A 66 5.758 -11.438 3.653 1.00 0.00 S ATOM 1034 CE MET A 66 4.826 -12.988 3.712 1.00 0.00 C ATOM 0 H MET A 66 1.406 -9.927 0.054 1.00 0.00 H new ATOM 0 HA MET A 66 2.835 -11.804 1.419 1.00 0.00 H new ATOM 0 HB2 MET A 66 3.952 -9.045 1.867 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.644 -9.935 3.344 1.00 0.00 H new ATOM 0 HG2 MET A 66 4.929 -11.703 1.404 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.873 -10.236 1.565 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.067 -13.523 4.631 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.758 -12.772 3.688 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.091 -13.605 2.853 1.00 0.00 H new ATOM 1044 N LEU A 67 0.250 -10.407 2.093 1.00 0.00 N ATOM 1045 CA LEU A 67 -0.915 -10.344 3.041 1.00 0.00 C ATOM 1046 C LEU A 67 -0.671 -11.267 4.241 1.00 0.00 C ATOM 1047 CB LEU A 67 -2.188 -10.796 2.313 1.00 0.00 C ATOM 1048 CG LEU A 67 -3.433 -10.326 3.076 1.00 0.00 C ATOM 1049 CD1 LEU A 67 -4.683 -10.668 2.263 1.00 0.00 C ATOM 1050 CD2 LEU A 67 -3.509 -11.025 4.439 1.00 0.00 C ATOM 0 H LEU A 67 0.027 -10.234 1.113 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.029 -9.319 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.199 -10.392 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.197 -11.882 2.222 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.373 -9.248 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.570 -10.335 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.637 -10.167 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.734 -11.746 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.396 -10.685 4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.565 -12.104 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.620 -10.784 5.022 1.00 0.00 H new TER 1062 LEU A 67