USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 527 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -176:sc= 0.043 USER MOD Single : A 16 GLN : amide:sc= -2.37! K(o=-2.4!,f=-0.63) USER MOD Single : A 18 LYS NZ :NH3+ -129:sc= 0.512 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.708 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 25 MET CE :methyl -168:sc= -1.07 (180deg=-1.73) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.0031 (180deg=-0.107) USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= -0.0603 (180deg=-0.528) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.0062) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.0161 K(o=0.016,f=-3.3!) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.111) USER MOD Single : A 43 LYS NZ :NH3+ -125:sc= -0.432 (180deg=-1.58!) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= -0.132 (180deg=-0.77) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.82! C(o=-1.8!,f=-2.4!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -4.07! C(o=-4.1!,f=-2.7!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -3.550 3.145 -10.101 1.00 0.00 N ATOM 89 CA GLU A 7 -3.847 4.571 -10.165 1.00 0.00 C ATOM 90 C GLU A 7 -3.309 5.294 -8.933 1.00 0.00 C ATOM 91 O GLU A 7 -4.015 5.455 -7.936 1.00 0.00 O ATOM 92 CB GLU A 7 -5.356 4.796 -10.284 1.00 0.00 C ATOM 93 CG GLU A 7 -5.912 4.478 -11.661 1.00 0.00 C ATOM 94 CD GLU A 7 -6.115 2.991 -11.878 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.865 2.373 -11.094 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.524 2.445 -12.834 1.00 0.00 O ATOM 0 HA GLU A 7 -3.356 4.979 -11.048 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.866 4.179 -9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.580 5.835 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.863 4.994 -11.793 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.232 4.863 -12.421 1.00 0.00 H new ATOM 103 N LEU A 8 -2.055 5.726 -9.008 1.00 0.00 N ATOM 104 CA LEU A 8 -1.421 6.431 -7.900 1.00 0.00 C ATOM 105 C LEU A 8 -1.607 7.939 -8.035 1.00 0.00 C ATOM 106 O LEU A 8 -1.618 8.477 -9.143 1.00 0.00 O ATOM 107 CB LEU A 8 0.069 6.093 -7.840 1.00 0.00 C ATOM 108 CG LEU A 8 0.436 4.800 -7.111 1.00 0.00 C ATOM 109 CD1 LEU A 8 1.697 4.192 -7.704 1.00 0.00 C ATOM 110 CD2 LEU A 8 0.617 5.061 -5.622 1.00 0.00 C ATOM 0 H LEU A 8 -1.457 5.600 -9.825 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.898 6.106 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.448 6.031 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.589 6.919 -7.356 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.380 4.089 -7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.942 3.273 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.532 3.969 -8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.522 4.898 -7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.878 4.130 -5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.415 5.789 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.312 5.451 -5.205 1.00 0.00 H new ATOM 122 N VAL A 9 -1.752 8.617 -6.901 1.00 0.00 N ATOM 123 CA VAL A 9 -1.934 10.063 -6.893 1.00 0.00 C ATOM 124 C VAL A 9 -0.939 10.737 -5.955 1.00 0.00 C ATOM 125 O VAL A 9 -0.626 10.214 -4.885 1.00 0.00 O ATOM 126 CB VAL A 9 -3.364 10.447 -6.468 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.370 10.010 -7.522 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.699 9.836 -5.115 1.00 0.00 C ATOM 0 H VAL A 9 -1.747 8.188 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.761 10.409 -7.912 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.418 11.532 -6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.374 10.290 -7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.140 10.498 -8.469 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.318 8.929 -7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.713 10.117 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.628 8.750 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.997 10.202 -4.366 1.00 0.00 H new ATOM 138 N LEU A 10 -0.446 11.901 -6.363 1.00 0.00 N ATOM 139 CA LEU A 10 0.515 12.649 -5.558 1.00 0.00 C ATOM 140 C LEU A 10 -0.146 13.860 -4.908 1.00 0.00 C ATOM 141 O LEU A 10 -1.033 14.483 -5.490 1.00 0.00 O ATOM 142 CB LEU A 10 1.693 13.100 -6.424 1.00 0.00 C ATOM 143 CG LEU A 10 2.984 13.437 -5.677 1.00 0.00 C ATOM 144 CD1 LEU A 10 4.194 13.185 -6.562 1.00 0.00 C ATOM 145 CD2 LEU A 10 2.962 14.881 -5.199 1.00 0.00 C ATOM 0 H LEU A 10 -0.695 12.348 -7.246 1.00 0.00 H new ATOM 0 HA LEU A 10 0.882 11.992 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.910 12.313 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.386 13.978 -6.992 1.00 0.00 H new ATOM 0 HG LEU A 10 3.056 12.788 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.103 13.430 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.219 12.135 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.129 13.808 -7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.889 15.103 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.866 15.547 -6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.116 15.029 -4.528 1.00 0.00 H new ATOM 157 N ALA A 11 0.295 14.190 -3.698 1.00 0.00 N ATOM 158 CA ALA A 11 -0.250 15.329 -2.971 1.00 0.00 C ATOM 159 C ALA A 11 0.553 16.595 -3.251 1.00 0.00 C ATOM 160 O ALA A 11 1.767 16.630 -3.045 1.00 0.00 O ATOM 161 CB ALA A 11 -0.276 15.038 -1.477 1.00 0.00 C ATOM 0 H ALA A 11 1.028 13.684 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.271 15.494 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.685 15.897 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.899 14.164 -1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.738 14.844 -1.126 1.00 0.00 H new ATOM 167 N LEU A 12 -0.131 17.632 -3.721 1.00 0.00 N ATOM 168 CA LEU A 12 0.519 18.900 -4.030 1.00 0.00 C ATOM 169 C LEU A 12 0.593 19.790 -2.793 1.00 0.00 C ATOM 170 O LEU A 12 1.583 20.489 -2.578 1.00 0.00 O ATOM 171 CB LEU A 12 -0.235 19.623 -5.148 1.00 0.00 C ATOM 172 CG LEU A 12 -0.304 18.896 -6.491 1.00 0.00 C ATOM 173 CD1 LEU A 12 -0.960 19.777 -7.542 1.00 0.00 C ATOM 174 CD2 LEU A 12 1.087 18.472 -6.939 1.00 0.00 C ATOM 0 H LEU A 12 -1.136 17.619 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 12 1.535 18.688 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.253 19.813 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.235 20.594 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.913 18.000 -6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.000 19.243 -8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.972 20.030 -7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.379 20.691 -7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.019 17.956 -7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.719 19.353 -7.046 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.520 17.802 -6.196 1.00 0.00 H new ATOM 186 N TYR A 13 -0.459 19.756 -1.983 1.00 0.00 N ATOM 187 CA TYR A 13 -0.513 20.559 -0.767 1.00 0.00 C ATOM 188 C TYR A 13 -0.594 19.670 0.470 1.00 0.00 C ATOM 189 O TYR A 13 -0.979 18.504 0.386 1.00 0.00 O ATOM 190 CB TYR A 13 -1.715 21.505 -0.809 1.00 0.00 C ATOM 191 CG TYR A 13 -1.719 22.427 -2.007 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.142 21.978 -3.252 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.299 23.747 -1.894 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.146 22.817 -4.350 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.301 24.593 -2.986 1.00 0.00 C ATOM 196 CZ TYR A 13 -1.726 24.123 -4.212 1.00 0.00 C ATOM 197 OH TYR A 13 -1.728 24.963 -5.302 1.00 0.00 O ATOM 0 H TYR A 13 -1.286 19.181 -2.146 1.00 0.00 H new ATOM 0 HA TYR A 13 0.403 21.148 -0.709 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.631 20.915 -0.813 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.726 22.105 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.473 20.956 -3.363 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.965 24.118 -0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.476 22.452 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.972 25.616 -2.881 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.404 25.848 -5.033 1.00 0.00 H new ATOM 207 N ASP A 14 -0.229 20.231 1.618 1.00 0.00 N ATOM 208 CA ASP A 14 -0.261 19.491 2.874 1.00 0.00 C ATOM 209 C ASP A 14 -1.692 19.346 3.383 1.00 0.00 C ATOM 210 O ASP A 14 -2.522 20.236 3.194 1.00 0.00 O ATOM 211 CB ASP A 14 0.599 20.193 3.926 1.00 0.00 C ATOM 212 CG ASP A 14 0.329 21.683 3.994 1.00 0.00 C ATOM 213 OD1 ASP A 14 -0.759 22.109 3.554 1.00 0.00 O ATOM 214 OD2 ASP A 14 1.206 22.423 4.487 1.00 0.00 O ATOM 0 H ASP A 14 0.092 21.195 1.704 1.00 0.00 H new ATOM 0 HA ASP A 14 0.143 18.495 2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.409 19.747 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.652 20.028 3.699 1.00 0.00 H new ATOM 219 N TYR A 15 -1.974 18.220 4.028 1.00 0.00 N ATOM 220 CA TYR A 15 -3.305 17.957 4.562 1.00 0.00 C ATOM 221 C TYR A 15 -3.226 17.119 5.834 1.00 0.00 C ATOM 222 O TYR A 15 -2.323 16.299 5.995 1.00 0.00 O ATOM 223 CB TYR A 15 -4.163 17.240 3.518 1.00 0.00 C ATOM 224 CG TYR A 15 -5.639 17.235 3.847 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.401 18.390 3.725 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.270 16.076 4.281 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.750 18.391 4.025 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.618 16.067 4.582 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.354 17.227 4.453 1.00 0.00 C ATOM 230 OH TYR A 15 -9.697 17.222 4.753 1.00 0.00 O ATOM 0 H TYR A 15 -1.298 17.474 4.194 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.766 18.914 4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.017 17.718 2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.818 16.211 3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.931 19.303 3.390 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.697 15.167 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.328 19.298 3.925 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.093 15.157 4.917 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.952 16.341 5.099 1.00 0.00 H new ATOM 240 N GLN A 16 -4.180 17.333 6.735 1.00 0.00 N ATOM 241 CA GLN A 16 -4.219 16.598 7.994 1.00 0.00 C ATOM 242 C GLN A 16 -5.541 15.854 8.149 1.00 0.00 C ATOM 243 O GLN A 16 -6.557 16.248 7.576 1.00 0.00 O ATOM 244 CB GLN A 16 -4.016 17.552 9.172 1.00 0.00 C ATOM 245 CG GLN A 16 -5.142 18.561 9.339 1.00 0.00 C ATOM 246 CD GLN A 16 -5.058 19.698 8.341 1.00 0.00 C ATOM 247 OE1 GLN A 16 -4.230 20.599 8.476 1.00 0.00 O ATOM 248 NE2 GLN A 16 -5.919 19.664 7.330 1.00 0.00 N ATOM 0 H GLN A 16 -4.935 18.008 6.617 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.411 15.867 7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.922 16.970 10.089 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.076 18.088 9.037 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.100 18.053 9.226 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.114 18.967 10.350 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.589 18.898 7.256 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.910 20.404 6.628 1.00 0.00 H new ATOM 257 N GLU A 17 -5.521 14.776 8.926 1.00 0.00 N ATOM 258 CA GLU A 17 -6.718 13.976 9.155 1.00 0.00 C ATOM 259 C GLU A 17 -7.434 14.420 10.427 1.00 0.00 C ATOM 260 O GLU A 17 -6.807 14.630 11.466 1.00 0.00 O ATOM 261 CB GLU A 17 -6.357 12.492 9.251 1.00 0.00 C ATOM 262 CG GLU A 17 -5.697 12.111 10.565 1.00 0.00 C ATOM 263 CD GLU A 17 -5.180 10.685 10.566 1.00 0.00 C ATOM 264 OE1 GLU A 17 -4.547 10.282 9.568 1.00 0.00 O ATOM 265 OE2 GLU A 17 -5.409 9.972 11.566 1.00 0.00 O ATOM 0 H GLU A 17 -4.689 14.436 9.408 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.390 14.125 8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.262 11.897 9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.688 12.236 8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.871 12.793 10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.414 12.234 11.377 1.00 0.00 H new ATOM 272 N LYS A 18 -8.753 14.561 10.338 1.00 0.00 N ATOM 273 CA LYS A 18 -9.557 14.980 11.480 1.00 0.00 C ATOM 274 C LYS A 18 -10.462 13.847 11.952 1.00 0.00 C ATOM 275 O LYS A 18 -10.869 13.807 13.114 1.00 0.00 O ATOM 276 CB LYS A 18 -10.400 16.203 11.116 1.00 0.00 C ATOM 277 CG LYS A 18 -11.283 15.992 9.898 1.00 0.00 C ATOM 278 CD LYS A 18 -12.411 17.010 9.844 1.00 0.00 C ATOM 279 CE LYS A 18 -13.582 16.500 9.018 1.00 0.00 C ATOM 280 NZ LYS A 18 -13.445 16.860 7.580 1.00 0.00 N ATOM 0 H LYS A 18 -9.288 14.391 9.486 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.880 15.243 12.292 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.027 16.468 11.967 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.738 17.049 10.932 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.680 16.067 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.701 14.985 9.920 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.748 17.235 10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.041 17.942 9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.651 15.417 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.511 16.915 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.321 17.313 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.649 17.519 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.269 16.000 7.022 1.00 0.00 H new ATOM 294 N SER A 19 -10.774 12.927 11.045 1.00 0.00 N ATOM 295 CA SER A 19 -11.633 11.794 11.368 1.00 0.00 C ATOM 296 C SER A 19 -10.934 10.475 11.056 1.00 0.00 C ATOM 297 O SER A 19 -9.972 10.419 10.290 1.00 0.00 O ATOM 298 CB SER A 19 -12.947 11.885 10.588 1.00 0.00 C ATOM 299 OG SER A 19 -13.134 13.184 10.054 1.00 0.00 O ATOM 0 H SER A 19 -10.444 12.944 10.080 1.00 0.00 H new ATOM 0 HA SER A 19 -11.849 11.826 12.436 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.946 11.153 9.780 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.781 11.634 11.244 1.00 0.00 H new ATOM 0 HG SER A 19 -13.979 13.216 9.559 1.00 0.00 H new ATOM 305 N PRO A 20 -11.428 9.386 11.664 1.00 0.00 N ATOM 306 CA PRO A 20 -10.867 8.046 11.468 1.00 0.00 C ATOM 307 C PRO A 20 -11.134 7.506 10.067 1.00 0.00 C ATOM 308 O PRO A 20 -10.601 6.465 9.681 1.00 0.00 O ATOM 309 CB PRO A 20 -11.594 7.200 12.515 1.00 0.00 C ATOM 310 CG PRO A 20 -12.878 7.916 12.756 1.00 0.00 C ATOM 311 CD PRO A 20 -12.573 9.379 12.590 1.00 0.00 C ATOM 0 HA PRO A 20 -9.782 8.039 11.574 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.768 6.186 12.154 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.010 7.116 13.431 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.643 7.594 12.049 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.259 7.708 13.756 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.424 9.923 12.181 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.323 9.848 13.542 1.00 0.00 H new ATOM 319 N ARG A 21 -11.961 8.219 9.310 1.00 0.00 N ATOM 320 CA ARG A 21 -12.299 7.810 7.952 1.00 0.00 C ATOM 321 C ARG A 21 -11.352 8.449 6.940 1.00 0.00 C ATOM 322 O ARG A 21 -11.118 7.901 5.864 1.00 0.00 O ATOM 323 CB ARG A 21 -13.744 8.192 7.626 1.00 0.00 C ATOM 324 CG ARG A 21 -14.748 7.094 7.935 1.00 0.00 C ATOM 325 CD ARG A 21 -14.544 5.884 7.037 1.00 0.00 C ATOM 326 NE ARG A 21 -13.750 4.846 7.689 1.00 0.00 N ATOM 327 CZ ARG A 21 -13.713 3.583 7.280 1.00 0.00 C ATOM 328 NH1 ARG A 21 -14.422 3.203 6.226 1.00 0.00 N ATOM 329 NH2 ARG A 21 -12.966 2.697 7.925 1.00 0.00 N ATOM 0 H ARG A 21 -12.410 9.083 9.614 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.194 6.727 7.889 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.011 9.086 8.190 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.813 8.449 6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.652 6.794 8.979 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.760 7.478 7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.514 5.475 6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.049 6.195 6.117 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.193 5.105 8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.998 3.881 5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.392 2.232 5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.419 2.985 8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.939 1.727 7.610 1.00 0.00 H new ATOM 343 N GLU A 22 -10.812 9.611 7.294 1.00 0.00 N ATOM 344 CA GLU A 22 -9.893 10.325 6.416 1.00 0.00 C ATOM 345 C GLU A 22 -8.443 10.050 6.807 1.00 0.00 C ATOM 346 O GLU A 22 -8.152 9.710 7.954 1.00 0.00 O ATOM 347 CB GLU A 22 -10.169 11.829 6.465 1.00 0.00 C ATOM 348 CG GLU A 22 -11.629 12.187 6.244 1.00 0.00 C ATOM 349 CD GLU A 22 -11.859 13.684 6.177 1.00 0.00 C ATOM 350 OE1 GLU A 22 -10.884 14.423 5.926 1.00 0.00 O ATOM 351 OE2 GLU A 22 -13.013 14.117 6.377 1.00 0.00 O ATOM 0 H GLU A 22 -10.995 10.078 8.182 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.052 9.967 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.851 12.217 7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.563 12.326 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.975 11.728 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.228 11.767 7.052 1.00 0.00 H new ATOM 358 N VAL A 23 -7.538 10.199 5.845 1.00 0.00 N ATOM 359 CA VAL A 23 -6.119 9.968 6.088 1.00 0.00 C ATOM 360 C VAL A 23 -5.333 11.273 6.034 1.00 0.00 C ATOM 361 O VAL A 23 -5.859 12.312 5.632 1.00 0.00 O ATOM 362 CB VAL A 23 -5.528 8.983 5.062 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.973 7.561 5.369 1.00 0.00 C ATOM 364 CG2 VAL A 23 -5.926 9.382 3.649 1.00 0.00 C ATOM 0 H VAL A 23 -7.762 10.479 4.890 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.034 9.537 7.086 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.441 9.021 5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.546 6.879 4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.632 7.280 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.061 7.503 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.500 8.675 2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.012 9.375 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.552 10.383 3.434 1.00 0.00 H new ATOM 374 N THR A 24 -4.069 11.214 6.441 1.00 0.00 N ATOM 375 CA THR A 24 -3.209 12.391 6.440 1.00 0.00 C ATOM 376 C THR A 24 -2.170 12.311 5.328 1.00 0.00 C ATOM 377 O THR A 24 -1.465 11.311 5.195 1.00 0.00 O ATOM 378 CB THR A 24 -2.488 12.560 7.791 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.447 12.722 8.842 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.556 13.762 7.759 1.00 0.00 C ATOM 0 H THR A 24 -3.618 10.363 6.776 1.00 0.00 H new ATOM 0 HA THR A 24 -3.853 13.254 6.270 1.00 0.00 H new ATOM 0 HB THR A 24 -1.895 11.664 7.976 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.980 12.827 9.697 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.058 13.862 8.723 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.809 13.623 6.977 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.132 14.664 7.553 1.00 0.00 H new ATOM 388 N MET A 25 -2.079 13.372 4.532 1.00 0.00 N ATOM 389 CA MET A 25 -1.123 13.422 3.433 1.00 0.00 C ATOM 390 C MET A 25 -0.320 14.718 3.469 1.00 0.00 C ATOM 391 O MET A 25 -0.792 15.739 3.970 1.00 0.00 O ATOM 392 CB MET A 25 -1.848 13.295 2.092 1.00 0.00 C ATOM 393 CG MET A 25 -3.033 14.237 1.951 1.00 0.00 C ATOM 394 SD MET A 25 -4.032 13.883 0.491 1.00 0.00 S ATOM 395 CE MET A 25 -4.835 15.464 0.239 1.00 0.00 C ATOM 0 H MET A 25 -2.656 14.208 4.628 1.00 0.00 H new ATOM 0 HA MET A 25 -0.434 12.585 3.546 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.141 13.490 1.286 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.194 12.268 1.971 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.658 14.164 2.841 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.672 15.264 1.899 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.640 15.352 -0.488 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.247 15.818 1.184 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.108 16.186 -0.133 1.00 0.00 H new ATOM 405 N LYS A 26 0.897 14.671 2.936 1.00 0.00 N ATOM 406 CA LYS A 26 1.766 15.841 2.907 1.00 0.00 C ATOM 407 C LYS A 26 2.333 16.062 1.508 1.00 0.00 C ATOM 408 O LYS A 26 2.239 15.191 0.644 1.00 0.00 O ATOM 409 CB LYS A 26 2.908 15.678 3.912 1.00 0.00 C ATOM 410 CG LYS A 26 3.726 14.416 3.704 1.00 0.00 C ATOM 411 CD LYS A 26 5.131 14.562 4.265 1.00 0.00 C ATOM 412 CE LYS A 26 5.122 14.614 5.785 1.00 0.00 C ATOM 413 NZ LYS A 26 4.782 13.293 6.382 1.00 0.00 N ATOM 0 H LYS A 26 1.303 13.834 2.518 1.00 0.00 H new ATOM 0 HA LYS A 26 1.171 16.712 3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.567 16.543 3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.495 15.671 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.227 13.575 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.780 14.188 2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.745 13.725 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.588 15.470 3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.100 14.934 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.401 15.360 6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.966 13.317 7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.777 13.085 6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.366 12.553 5.942 1.00 0.00 H new ATOM 427 N LYS A 27 2.922 17.233 1.292 1.00 0.00 N ATOM 428 CA LYS A 27 3.507 17.569 0.000 1.00 0.00 C ATOM 429 C LYS A 27 4.454 16.470 -0.471 1.00 0.00 C ATOM 430 O LYS A 27 5.415 16.128 0.217 1.00 0.00 O ATOM 431 CB LYS A 27 4.258 18.900 0.087 1.00 0.00 C ATOM 432 CG LYS A 27 3.354 20.116 -0.024 1.00 0.00 C ATOM 433 CD LYS A 27 2.966 20.649 1.346 1.00 0.00 C ATOM 434 CE LYS A 27 2.424 22.067 1.259 1.00 0.00 C ATOM 435 NZ LYS A 27 3.456 23.027 0.778 1.00 0.00 N ATOM 0 H LYS A 27 3.007 17.966 1.996 1.00 0.00 H new ATOM 0 HA LYS A 27 2.697 17.662 -0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.796 18.943 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.005 18.939 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.862 20.898 -0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.455 19.853 -0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.214 19.998 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.835 20.630 2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.567 22.088 0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.066 22.380 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.541 23.813 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.371 22.540 0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.177 23.399 -0.152 1.00 0.00 H new ATOM 449 N GLY A 28 4.177 15.921 -1.650 1.00 0.00 N ATOM 450 CA GLY A 28 5.014 14.867 -2.193 1.00 0.00 C ATOM 451 C GLY A 28 4.469 13.484 -1.897 1.00 0.00 C ATOM 452 O GLY A 28 4.760 12.528 -2.617 1.00 0.00 O ATOM 0 H GLY A 28 3.388 16.187 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.102 14.996 -3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.018 14.955 -1.779 1.00 0.00 H new ATOM 456 N ASP A 29 3.679 13.376 -0.835 1.00 0.00 N ATOM 457 CA ASP A 29 3.093 12.098 -0.445 1.00 0.00 C ATOM 458 C ASP A 29 2.300 11.490 -1.597 1.00 0.00 C ATOM 459 O ASP A 29 1.624 12.201 -2.342 1.00 0.00 O ATOM 460 CB ASP A 29 2.188 12.280 0.774 1.00 0.00 C ATOM 461 CG ASP A 29 1.698 10.958 1.333 1.00 0.00 C ATOM 462 OD1 ASP A 29 2.382 9.935 1.123 1.00 0.00 O ATOM 463 OD2 ASP A 29 0.629 10.947 1.980 1.00 0.00 O ATOM 0 H ASP A 29 3.429 14.157 -0.229 1.00 0.00 H new ATOM 0 HA ASP A 29 3.904 11.417 -0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.732 12.820 1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.331 12.895 0.498 1.00 0.00 H new ATOM 468 N ILE A 30 2.388 10.172 -1.739 1.00 0.00 N ATOM 469 CA ILE A 30 1.679 9.469 -2.800 1.00 0.00 C ATOM 470 C ILE A 30 0.822 8.341 -2.235 1.00 0.00 C ATOM 471 O ILE A 30 1.287 7.540 -1.424 1.00 0.00 O ATOM 472 CB ILE A 30 2.655 8.885 -3.839 1.00 0.00 C ATOM 473 CG1 ILE A 30 3.634 9.962 -4.312 1.00 0.00 C ATOM 474 CG2 ILE A 30 1.889 8.303 -5.017 1.00 0.00 C ATOM 475 CD1 ILE A 30 4.704 9.438 -5.244 1.00 0.00 C ATOM 0 H ILE A 30 2.944 9.569 -1.132 1.00 0.00 H new ATOM 0 HA ILE A 30 1.036 10.201 -3.288 1.00 0.00 H new ATOM 0 HB ILE A 30 3.225 8.083 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.077 10.751 -4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.111 10.415 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.593 7.894 -5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.229 7.510 -4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.296 9.087 -5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.362 10.256 -5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.286 8.670 -4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.236 9.011 -6.131 1.00 0.00 H new ATOM 487 N LEU A 31 -0.432 8.284 -2.671 1.00 0.00 N ATOM 488 CA LEU A 31 -1.355 7.253 -2.210 1.00 0.00 C ATOM 489 C LEU A 31 -1.907 6.451 -3.385 1.00 0.00 C ATOM 490 O LEU A 31 -1.665 6.784 -4.546 1.00 0.00 O ATOM 491 CB LEU A 31 -2.506 7.884 -1.424 1.00 0.00 C ATOM 492 CG LEU A 31 -2.107 8.745 -0.225 1.00 0.00 C ATOM 493 CD1 LEU A 31 -0.972 8.090 0.548 1.00 0.00 C ATOM 494 CD2 LEU A 31 -1.708 10.141 -0.679 1.00 0.00 C ATOM 0 H LEU A 31 -0.832 8.939 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.806 6.575 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.093 8.498 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.159 7.086 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.968 8.832 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.701 8.717 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.293 7.112 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.108 7.972 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.427 10.739 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.862 10.073 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.549 10.612 -1.188 1.00 0.00 H new ATOM 506 N THR A 32 -2.652 5.394 -3.076 1.00 0.00 N ATOM 507 CA THR A 32 -3.239 4.546 -4.106 1.00 0.00 C ATOM 508 C THR A 32 -4.715 4.868 -4.308 1.00 0.00 C ATOM 509 O THR A 32 -5.562 4.476 -3.504 1.00 0.00 O ATOM 510 CB THR A 32 -3.094 3.053 -3.754 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.713 2.727 -3.563 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.680 2.179 -4.853 1.00 0.00 C ATOM 0 H THR A 32 -2.863 5.105 -2.121 1.00 0.00 H new ATOM 0 HA THR A 32 -2.696 4.748 -5.029 1.00 0.00 H new ATOM 0 HB THR A 32 -3.642 2.865 -2.831 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.629 1.777 -3.338 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.566 1.129 -4.583 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.738 2.409 -4.976 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.156 2.371 -5.789 1.00 0.00 H new ATOM 520 N LEU A 33 -5.017 5.584 -5.385 1.00 0.00 N ATOM 521 CA LEU A 33 -6.393 5.958 -5.693 1.00 0.00 C ATOM 522 C LEU A 33 -7.289 4.726 -5.769 1.00 0.00 C ATOM 523 O LEU A 33 -7.195 3.933 -6.707 1.00 0.00 O ATOM 524 CB LEU A 33 -6.450 6.726 -7.015 1.00 0.00 C ATOM 525 CG LEU A 33 -7.570 7.759 -7.145 1.00 0.00 C ATOM 526 CD1 LEU A 33 -8.921 7.120 -6.860 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.325 8.931 -6.207 1.00 0.00 C ATOM 0 H LEU A 33 -4.328 5.917 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.757 6.600 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.496 7.234 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.552 6.005 -7.826 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.576 8.133 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.706 7.870 -6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.099 6.314 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.927 6.718 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.132 9.656 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.292 8.573 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.376 9.405 -6.457 1.00 0.00 H new ATOM 539 N LEU A 34 -8.159 4.572 -4.777 1.00 0.00 N ATOM 540 CA LEU A 34 -9.075 3.437 -4.732 1.00 0.00 C ATOM 541 C LEU A 34 -10.393 3.773 -5.422 1.00 0.00 C ATOM 542 O LEU A 34 -10.907 2.987 -6.216 1.00 0.00 O ATOM 543 CB LEU A 34 -9.336 3.025 -3.282 1.00 0.00 C ATOM 544 CG LEU A 34 -9.468 1.523 -3.025 1.00 0.00 C ATOM 545 CD1 LEU A 34 -8.201 0.796 -3.447 1.00 0.00 C ATOM 546 CD2 LEU A 34 -9.774 1.259 -1.558 1.00 0.00 C ATOM 0 H LEU A 34 -8.250 5.218 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.611 2.605 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.524 3.409 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.251 3.513 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.296 1.142 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.313 -0.271 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.025 0.958 -4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.355 1.179 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.865 0.185 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.967 1.654 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.710 1.748 -1.288 1.00 0.00 H new ATOM 558 N ASN A 35 -10.933 4.948 -5.115 1.00 0.00 N ATOM 559 CA ASN A 35 -12.191 5.389 -5.708 1.00 0.00 C ATOM 560 C ASN A 35 -12.136 6.873 -6.059 1.00 0.00 C ATOM 561 O ASN A 35 -11.951 7.722 -5.187 1.00 0.00 O ATOM 562 CB ASN A 35 -13.352 5.124 -4.747 1.00 0.00 C ATOM 563 CG ASN A 35 -14.546 4.499 -5.441 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.164 3.570 -4.921 1.00 0.00 O ATOM 565 ND2 ASN A 35 -14.876 5.007 -6.623 1.00 0.00 N ATOM 0 H ASN A 35 -10.520 5.612 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.350 4.822 -6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.015 4.465 -3.947 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.656 6.062 -4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.670 4.627 -7.138 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.335 5.777 -7.016 1.00 0.00 H new ATOM 572 N SER A 36 -12.297 7.177 -7.343 1.00 0.00 N ATOM 573 CA SER A 36 -12.263 8.558 -7.811 1.00 0.00 C ATOM 574 C SER A 36 -13.599 8.955 -8.430 1.00 0.00 C ATOM 575 O SER A 36 -13.665 9.847 -9.277 1.00 0.00 O ATOM 576 CB SER A 36 -11.140 8.744 -8.834 1.00 0.00 C ATOM 577 OG SER A 36 -10.835 7.522 -9.485 1.00 0.00 O ATOM 0 H SER A 36 -12.452 6.486 -8.077 1.00 0.00 H new ATOM 0 HA SER A 36 -12.074 9.202 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.436 9.489 -9.572 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.249 9.126 -8.335 1.00 0.00 H new ATOM 0 HG SER A 36 -10.116 7.668 -10.135 1.00 0.00 H new ATOM 583 N THR A 37 -14.665 8.287 -8.000 1.00 0.00 N ATOM 584 CA THR A 37 -16.001 8.568 -8.511 1.00 0.00 C ATOM 585 C THR A 37 -16.366 10.036 -8.317 1.00 0.00 C ATOM 586 O THR A 37 -17.071 10.623 -9.137 1.00 0.00 O ATOM 587 CB THR A 37 -17.063 7.692 -7.820 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.347 7.922 -8.410 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.123 7.988 -6.330 1.00 0.00 C ATOM 0 H THR A 37 -14.629 7.547 -7.299 1.00 0.00 H new ATOM 0 HA THR A 37 -15.987 8.337 -9.576 1.00 0.00 H new ATOM 0 HB THR A 37 -16.784 6.647 -7.955 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.016 7.360 -7.966 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.880 7.357 -5.864 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.152 7.783 -5.879 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.380 9.036 -6.177 1.00 0.00 H new ATOM 597 N ASN A 38 -15.881 10.623 -7.228 1.00 0.00 N ATOM 598 CA ASN A 38 -16.156 12.023 -6.927 1.00 0.00 C ATOM 599 C ASN A 38 -15.067 12.926 -7.497 1.00 0.00 C ATOM 600 O ASN A 38 -14.020 12.452 -7.940 1.00 0.00 O ATOM 601 CB ASN A 38 -16.266 12.229 -5.415 1.00 0.00 C ATOM 602 CG ASN A 38 -17.352 13.221 -5.044 1.00 0.00 C ATOM 603 OD1 ASN A 38 -17.858 13.951 -5.897 1.00 0.00 O ATOM 604 ND2 ASN A 38 -17.714 13.252 -3.767 1.00 0.00 N ATOM 0 H ASN A 38 -15.295 10.151 -6.539 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.105 12.290 -7.393 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.472 11.272 -4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.309 12.580 -5.028 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.439 13.899 -3.458 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.267 12.628 -3.095 1.00 0.00 H new ATOM 611 N LYS A 39 -15.320 14.230 -7.481 1.00 0.00 N ATOM 612 CA LYS A 39 -14.361 15.202 -7.994 1.00 0.00 C ATOM 613 C LYS A 39 -13.745 16.011 -6.857 1.00 0.00 C ATOM 614 O LYS A 39 -12.632 16.522 -6.979 1.00 0.00 O ATOM 615 CB LYS A 39 -15.041 16.142 -8.992 1.00 0.00 C ATOM 616 CG LYS A 39 -16.221 16.900 -8.408 1.00 0.00 C ATOM 617 CD LYS A 39 -16.708 17.987 -9.351 1.00 0.00 C ATOM 618 CE LYS A 39 -17.255 17.399 -10.643 1.00 0.00 C ATOM 619 NZ LYS A 39 -18.513 16.636 -10.416 1.00 0.00 N ATOM 0 H LYS A 39 -16.181 14.639 -7.118 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.565 14.657 -8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.307 16.858 -9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.381 15.562 -9.850 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.035 16.205 -8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.933 17.345 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.484 18.575 -8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.888 18.668 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.441 18.201 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.507 16.743 -11.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.952 16.411 -11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.297 15.754 -9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.169 17.210 -9.849 1.00 0.00 H new ATOM 633 N ASP A 40 -14.474 16.120 -5.752 1.00 0.00 N ATOM 634 CA ASP A 40 -13.997 16.864 -4.592 1.00 0.00 C ATOM 635 C ASP A 40 -13.304 15.936 -3.599 1.00 0.00 C ATOM 636 O ASP A 40 -12.169 16.184 -3.192 1.00 0.00 O ATOM 637 CB ASP A 40 -15.160 17.585 -3.909 1.00 0.00 C ATOM 638 CG ASP A 40 -15.943 18.459 -4.869 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.443 19.548 -5.222 1.00 0.00 O ATOM 640 OD2 ASP A 40 -17.056 18.056 -5.266 1.00 0.00 O ATOM 0 H ASP A 40 -15.397 15.703 -5.635 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.274 17.603 -4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.829 16.849 -3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.775 18.199 -3.095 1.00 0.00 H new ATOM 645 N TRP A 41 -13.995 14.870 -3.213 1.00 0.00 N ATOM 646 CA TRP A 41 -13.446 13.905 -2.266 1.00 0.00 C ATOM 647 C TRP A 41 -12.945 12.659 -2.987 1.00 0.00 C ATOM 648 O TRP A 41 -13.737 11.871 -3.505 1.00 0.00 O ATOM 649 CB TRP A 41 -14.501 13.520 -1.229 1.00 0.00 C ATOM 650 CG TRP A 41 -14.825 14.627 -0.271 1.00 0.00 C ATOM 651 CD1 TRP A 41 -15.972 15.368 -0.232 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.990 15.120 0.783 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.901 16.291 0.784 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.696 16.158 1.422 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.717 14.783 1.251 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.168 16.862 2.501 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.195 15.482 2.322 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.920 16.511 2.938 1.00 0.00 C ATOM 0 H TRP A 41 -14.936 14.651 -3.540 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.602 14.372 -1.758 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.412 13.217 -1.744 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.149 12.655 -0.667 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.811 15.246 -0.901 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.628 16.965 1.024 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.152 13.990 0.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.724 17.657 2.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.211 15.231 2.691 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.485 17.038 3.775 1.00 0.00 H new ATOM 669 N TRP A 42 -11.629 12.486 -3.017 1.00 0.00 N ATOM 670 CA TRP A 42 -11.024 11.334 -3.676 1.00 0.00 C ATOM 671 C TRP A 42 -10.634 10.268 -2.657 1.00 0.00 C ATOM 672 O TRP A 42 -10.032 10.570 -1.627 1.00 0.00 O ATOM 673 CB TRP A 42 -9.794 11.766 -4.476 1.00 0.00 C ATOM 674 CG TRP A 42 -10.116 12.185 -5.879 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.357 12.402 -6.405 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.181 12.434 -6.934 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.250 12.772 -7.724 1.00 0.00 N ATOM 678 CE2 TRP A 42 -9.926 12.800 -8.073 1.00 0.00 C ATOM 679 CE3 TRP A 42 -7.787 12.386 -7.028 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.322 13.114 -9.287 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.190 12.698 -8.235 1.00 0.00 C ATOM 682 CH2 TRP A 42 -7.956 13.059 -9.351 1.00 0.00 C ATOM 0 H TRP A 42 -10.960 13.129 -2.593 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.760 10.908 -4.357 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.306 12.593 -3.960 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.080 10.943 -4.505 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.286 12.298 -5.864 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.031 12.991 -8.343 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.187 12.110 -6.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.911 13.391 -10.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.114 12.663 -8.319 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.459 13.298 -10.280 1.00 0.00 H new ATOM 693 N LYS A 43 -10.982 9.020 -2.952 1.00 0.00 N ATOM 694 CA LYS A 43 -10.667 7.908 -2.063 1.00 0.00 C ATOM 695 C LYS A 43 -9.319 7.291 -2.420 1.00 0.00 C ATOM 696 O LYS A 43 -9.110 6.836 -3.545 1.00 0.00 O ATOM 697 CB LYS A 43 -11.763 6.842 -2.139 1.00 0.00 C ATOM 698 CG LYS A 43 -13.068 7.264 -1.485 1.00 0.00 C ATOM 699 CD LYS A 43 -13.860 8.205 -2.377 1.00 0.00 C ATOM 700 CE LYS A 43 -15.358 8.040 -2.170 1.00 0.00 C ATOM 701 NZ LYS A 43 -16.128 8.386 -3.396 1.00 0.00 N ATOM 0 H LYS A 43 -11.482 8.753 -3.800 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.612 8.294 -1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.952 6.601 -3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.405 5.930 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.667 6.381 -1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.858 7.753 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.574 9.235 -2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.612 8.013 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.574 7.011 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.683 8.675 -1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.837 9.111 -3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.479 8.753 -4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.606 7.536 -3.757 1.00 0.00 H new ATOM 715 N VAL A 44 -8.405 7.277 -1.454 1.00 0.00 N ATOM 716 CA VAL A 44 -7.077 6.713 -1.665 1.00 0.00 C ATOM 717 C VAL A 44 -6.698 5.762 -0.536 1.00 0.00 C ATOM 718 O VAL A 44 -7.239 5.845 0.566 1.00 0.00 O ATOM 719 CB VAL A 44 -6.009 7.818 -1.772 1.00 0.00 C ATOM 720 CG1 VAL A 44 -5.945 8.363 -3.190 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.294 8.932 -0.776 1.00 0.00 C ATOM 0 H VAL A 44 -8.560 7.650 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.113 6.161 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.038 7.386 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.185 9.142 -3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.690 7.557 -3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.914 8.781 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.530 9.704 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.273 9.364 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.284 8.527 0.236 1.00 0.00 H new ATOM 731 N GLU A 45 -5.764 4.859 -0.819 1.00 0.00 N ATOM 732 CA GLU A 45 -5.313 3.891 0.174 1.00 0.00 C ATOM 733 C GLU A 45 -3.887 4.199 0.625 1.00 0.00 C ATOM 734 O GLU A 45 -3.018 4.504 -0.192 1.00 0.00 O ATOM 735 CB GLU A 45 -5.385 2.473 -0.394 1.00 0.00 C ATOM 736 CG GLU A 45 -5.442 1.392 0.672 1.00 0.00 C ATOM 737 CD GLU A 45 -5.619 0.004 0.088 1.00 0.00 C ATOM 738 OE1 GLU A 45 -5.812 -0.102 -1.141 1.00 0.00 O ATOM 739 OE2 GLU A 45 -5.564 -0.976 0.860 1.00 0.00 O ATOM 0 H GLU A 45 -5.306 4.778 -1.727 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.973 3.962 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.266 2.390 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.516 2.300 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.525 1.420 1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.266 1.603 1.354 1.00 0.00 H new ATOM 746 N VAL A 46 -3.655 4.116 1.931 1.00 0.00 N ATOM 747 CA VAL A 46 -2.336 4.385 2.491 1.00 0.00 C ATOM 748 C VAL A 46 -1.804 3.173 3.249 1.00 0.00 C ATOM 749 O VAL A 46 -2.538 2.222 3.515 1.00 0.00 O ATOM 750 CB VAL A 46 -2.366 5.597 3.440 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.935 6.817 2.731 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.168 5.275 4.692 1.00 0.00 C ATOM 0 H VAL A 46 -4.363 3.865 2.621 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.675 4.606 1.653 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.344 5.825 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.948 7.664 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.314 7.059 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.951 6.604 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.178 6.143 5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.190 5.019 4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.711 4.432 5.210 1.00 0.00 H new ATOM 762 N LYS A 47 -0.521 3.215 3.594 1.00 0.00 N ATOM 763 CA LYS A 47 0.111 2.122 4.323 1.00 0.00 C ATOM 764 C LYS A 47 0.619 2.596 5.681 1.00 0.00 C ATOM 765 O LYS A 47 1.405 3.540 5.764 1.00 0.00 O ATOM 766 CB LYS A 47 1.268 1.541 3.508 1.00 0.00 C ATOM 767 CG LYS A 47 1.531 0.071 3.787 1.00 0.00 C ATOM 768 CD LYS A 47 0.678 -0.825 2.905 1.00 0.00 C ATOM 769 CE LYS A 47 1.355 -2.163 2.649 1.00 0.00 C ATOM 770 NZ LYS A 47 2.645 -2.002 1.922 1.00 0.00 N ATOM 0 H LYS A 47 0.101 3.994 3.380 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.637 1.346 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.054 1.668 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.173 2.110 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.585 -0.149 3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.323 -0.144 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.289 -0.990 3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.486 -0.326 1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.534 -2.667 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.689 -2.802 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.846 -2.864 1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.580 -1.191 1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.411 -1.838 2.606 1.00 0.00 H new ATOM 784 N ILE A 48 0.167 1.934 6.740 1.00 0.00 N ATOM 785 CA ILE A 48 0.579 2.287 8.093 1.00 0.00 C ATOM 786 C ILE A 48 1.322 1.134 8.760 1.00 0.00 C ATOM 787 O ILE A 48 0.752 0.071 9.005 1.00 0.00 O ATOM 788 CB ILE A 48 -0.629 2.676 8.966 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.459 3.759 8.273 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.163 3.152 10.333 1.00 0.00 C ATOM 791 CD1 ILE A 48 -2.635 3.213 7.494 1.00 0.00 C ATOM 0 H ILE A 48 -0.484 1.151 6.688 1.00 0.00 H new ATOM 0 HA ILE A 48 1.246 3.145 8.006 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.257 1.796 9.104 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.825 4.461 9.023 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.815 4.322 7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.028 3.423 10.938 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.390 2.353 10.827 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.484 4.021 10.215 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.178 4.036 7.030 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.276 2.534 6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.300 2.675 8.169 1.00 0.00 H new ATOM 803 N THR A 49 2.601 1.353 9.053 1.00 0.00 N ATOM 804 CA THR A 49 3.423 0.333 9.692 1.00 0.00 C ATOM 805 C THR A 49 3.365 0.453 11.211 1.00 0.00 C ATOM 806 O THR A 49 3.938 1.374 11.794 1.00 0.00 O ATOM 807 CB THR A 49 4.891 0.429 9.237 1.00 0.00 C ATOM 808 OG1 THR A 49 4.978 0.243 7.820 1.00 0.00 O ATOM 809 CG2 THR A 49 5.747 -0.612 9.943 1.00 0.00 C ATOM 0 H THR A 49 3.089 2.227 8.858 1.00 0.00 H new ATOM 0 HA THR A 49 3.019 -0.634 9.391 1.00 0.00 H new ATOM 0 HB THR A 49 5.264 1.420 9.497 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.915 0.307 7.539 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.779 -0.524 9.605 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.703 -0.450 11.020 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.373 -1.609 9.711 1.00 0.00 H new ATOM 817 N VAL A 50 2.671 -0.485 11.848 1.00 0.00 N ATOM 818 CA VAL A 50 2.540 -0.486 13.300 1.00 0.00 C ATOM 819 C VAL A 50 3.125 -1.758 13.903 1.00 0.00 C ATOM 820 O VAL A 50 2.727 -2.866 13.547 1.00 0.00 O ATOM 821 CB VAL A 50 1.067 -0.357 13.730 1.00 0.00 C ATOM 822 CG1 VAL A 50 0.955 -0.321 15.247 1.00 0.00 C ATOM 823 CG2 VAL A 50 0.438 0.882 13.112 1.00 0.00 C ATOM 0 H VAL A 50 2.191 -1.254 11.381 1.00 0.00 H new ATOM 0 HA VAL A 50 3.095 0.376 13.669 1.00 0.00 H new ATOM 0 HB VAL A 50 0.524 -1.231 13.370 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.093 -0.230 15.532 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.366 -1.240 15.664 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.512 0.533 15.633 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.603 0.957 13.427 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.981 1.768 13.440 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.484 0.810 12.025 1.00 0.00 H new ATOM 833 N ASN A 51 4.073 -1.589 14.820 1.00 0.00 N ATOM 834 CA ASN A 51 4.713 -2.724 15.475 1.00 0.00 C ATOM 835 C ASN A 51 5.258 -3.710 14.445 1.00 0.00 C ATOM 836 O ASN A 51 5.093 -4.921 14.582 1.00 0.00 O ATOM 837 CB ASN A 51 3.722 -3.432 16.400 1.00 0.00 C ATOM 838 CG ASN A 51 2.867 -2.457 17.186 1.00 0.00 C ATOM 839 OD1 ASN A 51 3.279 -1.328 17.453 1.00 0.00 O ATOM 840 ND2 ASN A 51 1.669 -2.890 17.560 1.00 0.00 N ATOM 0 H ASN A 51 4.414 -0.678 15.126 1.00 0.00 H new ATOM 0 HA ASN A 51 5.546 -2.347 16.068 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.077 -4.081 15.808 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.269 -4.072 17.093 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.049 -2.279 18.091 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.369 -3.834 17.316 1.00 0.00 H new ATOM 847 N GLY A 52 5.908 -3.180 13.413 1.00 0.00 N ATOM 848 CA GLY A 52 6.467 -4.027 12.375 1.00 0.00 C ATOM 849 C GLY A 52 5.398 -4.725 11.558 1.00 0.00 C ATOM 850 O GLY A 52 5.670 -5.718 10.883 1.00 0.00 O ATOM 0 H GLY A 52 6.057 -2.180 13.277 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.089 -3.424 11.714 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.117 -4.774 12.831 1.00 0.00 H new ATOM 854 N LYS A 53 4.176 -4.207 11.619 1.00 0.00 N ATOM 855 CA LYS A 53 3.060 -4.786 10.880 1.00 0.00 C ATOM 856 C LYS A 53 2.434 -3.757 9.945 1.00 0.00 C ATOM 857 O LYS A 53 1.855 -2.766 10.392 1.00 0.00 O ATOM 858 CB LYS A 53 2.003 -5.321 11.848 1.00 0.00 C ATOM 859 CG LYS A 53 2.581 -6.151 12.982 1.00 0.00 C ATOM 860 CD LYS A 53 1.605 -7.219 13.445 1.00 0.00 C ATOM 861 CE LYS A 53 1.589 -8.409 12.497 1.00 0.00 C ATOM 862 NZ LYS A 53 1.101 -9.646 13.167 1.00 0.00 N ATOM 0 H LYS A 53 3.933 -3.386 12.173 1.00 0.00 H new ATOM 0 HA LYS A 53 3.444 -5.610 10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.450 -4.481 12.269 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.288 -5.928 11.293 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.508 -6.622 12.654 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.833 -5.500 13.819 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.878 -7.554 14.446 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.604 -6.793 13.513 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.952 -8.184 11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.594 -8.578 12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.105 -10.433 12.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.724 -9.876 13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.133 -9.494 13.514 1.00 0.00 H new ATOM 876 N THR A 54 2.552 -3.998 8.642 1.00 0.00 N ATOM 877 CA THR A 54 1.997 -3.092 7.644 1.00 0.00 C ATOM 878 C THR A 54 0.484 -3.247 7.542 1.00 0.00 C ATOM 879 O THR A 54 -0.024 -4.347 7.321 1.00 0.00 O ATOM 880 CB THR A 54 2.621 -3.335 6.257 1.00 0.00 C ATOM 881 OG1 THR A 54 3.103 -4.680 6.165 1.00 0.00 O ATOM 882 CG2 THR A 54 3.763 -2.363 6.000 1.00 0.00 C ATOM 0 H THR A 54 3.027 -4.813 8.254 1.00 0.00 H new ATOM 0 HA THR A 54 2.235 -2.079 7.969 1.00 0.00 H new ATOM 0 HB THR A 54 1.850 -3.174 5.503 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.497 -4.827 5.280 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.188 -2.554 5.015 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.387 -1.341 6.041 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.533 -2.497 6.760 1.00 0.00 H new ATOM 890 N TYR A 55 -0.232 -2.140 7.704 1.00 0.00 N ATOM 891 CA TYR A 55 -1.688 -2.154 7.631 1.00 0.00 C ATOM 892 C TYR A 55 -2.181 -1.353 6.430 1.00 0.00 C ATOM 893 O TYR A 55 -1.544 -0.388 6.010 1.00 0.00 O ATOM 894 CB TYR A 55 -2.289 -1.585 8.918 1.00 0.00 C ATOM 895 CG TYR A 55 -2.100 -2.481 10.122 1.00 0.00 C ATOM 896 CD1 TYR A 55 -3.032 -3.463 10.433 1.00 0.00 C ATOM 897 CD2 TYR A 55 -0.991 -2.345 10.947 1.00 0.00 C ATOM 898 CE1 TYR A 55 -2.865 -4.284 11.532 1.00 0.00 C ATOM 899 CE2 TYR A 55 -0.815 -3.161 12.047 1.00 0.00 C ATOM 900 CZ TYR A 55 -1.755 -4.129 12.336 1.00 0.00 C ATOM 901 OH TYR A 55 -1.583 -4.944 13.432 1.00 0.00 O ATOM 0 H TYR A 55 0.172 -1.222 7.887 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.011 -3.188 7.512 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.836 -0.615 9.123 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.355 -1.414 8.767 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.902 -3.587 9.805 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.254 -1.588 10.724 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.599 -5.042 11.760 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.054 -3.042 12.678 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.750 -4.705 13.890 1.00 0.00 H new ATOM 911 N GLU A 56 -3.321 -1.763 5.882 1.00 0.00 N ATOM 912 CA GLU A 56 -3.900 -1.085 4.728 1.00 0.00 C ATOM 913 C GLU A 56 -5.260 -0.487 5.075 1.00 0.00 C ATOM 914 O GLU A 56 -6.027 -1.067 5.844 1.00 0.00 O ATOM 915 CB GLU A 56 -4.042 -2.057 3.555 1.00 0.00 C ATOM 916 CG GLU A 56 -2.795 -2.158 2.693 1.00 0.00 C ATOM 917 CD GLU A 56 -2.877 -3.282 1.678 1.00 0.00 C ATOM 918 OE1 GLU A 56 -4.006 -3.654 1.296 1.00 0.00 O ATOM 919 OE2 GLU A 56 -1.813 -3.788 1.266 1.00 0.00 O ATOM 0 H GLU A 56 -3.861 -2.560 6.218 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.229 -0.276 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.287 -3.046 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.879 -1.742 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.641 -1.213 2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.927 -2.314 3.333 1.00 0.00 H new ATOM 926 N ARG A 57 -5.551 0.677 4.503 1.00 0.00 N ATOM 927 CA ARG A 57 -6.817 1.356 4.753 1.00 0.00 C ATOM 928 C ARG A 57 -7.036 2.485 3.751 1.00 0.00 C ATOM 929 O ARG A 57 -6.085 3.136 3.318 1.00 0.00 O ATOM 930 CB ARG A 57 -6.851 1.911 6.178 1.00 0.00 C ATOM 931 CG ARG A 57 -5.948 3.116 6.384 1.00 0.00 C ATOM 932 CD ARG A 57 -6.071 3.671 7.794 1.00 0.00 C ATOM 933 NE ARG A 57 -5.477 2.781 8.787 1.00 0.00 N ATOM 934 CZ ARG A 57 -5.350 3.093 10.072 1.00 0.00 C ATOM 935 NH1 ARG A 57 -5.773 4.268 10.517 1.00 0.00 N ATOM 936 NH2 ARG A 57 -4.798 2.229 10.914 1.00 0.00 N ATOM 0 H ARG A 57 -4.927 1.169 3.863 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.619 0.628 4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.875 2.189 6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.557 1.124 6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.913 2.833 6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.205 3.892 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.585 4.645 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.123 3.828 8.031 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.141 1.869 8.477 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.197 4.935 9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.674 4.505 11.504 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.471 1.324 10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.701 2.469 11.901 1.00 0.00 H new ATOM 950 N GLN A 58 -8.294 2.711 3.386 1.00 0.00 N ATOM 951 CA GLN A 58 -8.637 3.760 2.434 1.00 0.00 C ATOM 952 C GLN A 58 -9.286 4.946 3.141 1.00 0.00 C ATOM 953 O GLN A 58 -10.081 4.772 4.063 1.00 0.00 O ATOM 954 CB GLN A 58 -9.577 3.215 1.358 1.00 0.00 C ATOM 955 CG GLN A 58 -11.008 3.030 1.838 1.00 0.00 C ATOM 956 CD GLN A 58 -11.933 2.541 0.741 1.00 0.00 C ATOM 957 OE1 GLN A 58 -12.688 1.587 0.928 1.00 0.00 O ATOM 958 NE2 GLN A 58 -11.879 3.195 -0.414 1.00 0.00 N ATOM 0 H GLN A 58 -9.093 2.181 3.736 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.716 4.102 1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.573 3.895 0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.195 2.258 1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.021 2.318 2.663 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.382 3.977 2.228 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -11.238 3.981 -0.526 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.478 2.912 -1.189 1.00 0.00 H new ATOM 967 N GLY A 59 -8.940 6.152 2.701 1.00 0.00 N ATOM 968 CA GLY A 59 -9.498 7.349 3.304 1.00 0.00 C ATOM 969 C GLY A 59 -9.842 8.409 2.276 1.00 0.00 C ATOM 970 O GLY A 59 -9.305 8.407 1.168 1.00 0.00 O ATOM 0 H GLY A 59 -8.284 6.322 1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.395 7.086 3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.784 7.759 4.019 1.00 0.00 H new ATOM 974 N PHE A 60 -10.740 9.317 2.643 1.00 0.00 N ATOM 975 CA PHE A 60 -11.157 10.387 1.744 1.00 0.00 C ATOM 976 C PHE A 60 -10.246 11.603 1.886 1.00 0.00 C ATOM 977 O PHE A 60 -9.863 11.979 2.994 1.00 0.00 O ATOM 978 CB PHE A 60 -12.607 10.785 2.028 1.00 0.00 C ATOM 979 CG PHE A 60 -13.532 9.612 2.181 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.660 8.968 3.401 1.00 0.00 C ATOM 981 CD2 PHE A 60 -14.274 9.153 1.104 1.00 0.00 C ATOM 982 CE1 PHE A 60 -14.510 7.888 3.544 1.00 0.00 C ATOM 983 CE2 PHE A 60 -15.126 8.073 1.241 1.00 0.00 C ATOM 984 CZ PHE A 60 -15.245 7.440 2.463 1.00 0.00 C ATOM 0 H PHE A 60 -11.193 9.333 3.557 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.083 10.018 0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.639 11.384 2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.967 11.418 1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -13.089 9.314 4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.186 9.645 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.600 7.394 4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.698 7.725 0.394 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.911 6.597 2.573 1.00 0.00 H new ATOM 994 N VAL A 61 -9.903 12.213 0.756 1.00 0.00 N ATOM 995 CA VAL A 61 -9.038 13.386 0.753 1.00 0.00 C ATOM 996 C VAL A 61 -9.425 14.352 -0.361 1.00 0.00 C ATOM 997 O VAL A 61 -10.016 13.969 -1.371 1.00 0.00 O ATOM 998 CB VAL A 61 -7.558 12.993 0.585 1.00 0.00 C ATOM 999 CG1 VAL A 61 -7.003 12.434 1.886 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.400 11.988 -0.546 1.00 0.00 C ATOM 0 H VAL A 61 -10.211 11.914 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.169 13.877 1.717 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.989 13.887 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.957 12.162 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.082 13.188 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.573 11.551 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.348 11.721 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.981 11.093 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.757 12.429 -1.477 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.085 15.636 -0.176 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.386 16.684 -1.156 1.00 0.00 C ATOM 1012 C PRO A 62 -8.556 16.545 -2.427 1.00 0.00 C ATOM 1013 O PRO A 62 -7.343 16.752 -2.413 1.00 0.00 O ATOM 1014 CB PRO A 62 -9.022 17.975 -0.418 1.00 0.00 C ATOM 1015 CG PRO A 62 -8.007 17.561 0.591 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.379 16.164 1.004 1.00 0.00 C ATOM 0 HA PRO A 62 -10.423 16.645 -1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.619 18.722 -1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.896 18.418 0.059 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.003 17.588 0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.011 18.235 1.448 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.499 15.568 1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.017 16.163 1.888 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.218 16.194 -3.525 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.540 16.030 -4.805 1.00 0.00 C ATOM 1026 C ALA A 63 -7.897 17.337 -5.257 1.00 0.00 C ATOM 1027 O ALA A 63 -6.887 17.332 -5.960 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.517 15.529 -5.859 1.00 0.00 C ATOM 0 H ALA A 63 -10.222 16.018 -3.554 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.749 15.291 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.997 15.411 -6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.927 14.568 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.327 16.249 -5.975 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.489 18.455 -4.850 1.00 0.00 N ATOM 1035 CA ALA A 64 -7.973 19.769 -5.213 1.00 0.00 C ATOM 1036 C ALA A 64 -6.596 20.005 -4.602 1.00 0.00 C ATOM 1037 O ALA A 64 -5.879 20.924 -5.000 1.00 0.00 O ATOM 1038 CB ALA A 64 -8.941 20.856 -4.772 1.00 0.00 C ATOM 0 H ALA A 64 -9.327 18.477 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.872 19.806 -6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.543 21.832 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.904 20.705 -5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.071 20.811 -3.691 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.232 19.171 -3.634 1.00 0.00 N ATOM 1045 CA TYR A 65 -4.941 19.291 -2.967 1.00 0.00 C ATOM 1046 C TYR A 65 -3.953 18.259 -3.502 1.00 0.00 C ATOM 1047 O TYR A 65 -2.776 18.265 -3.142 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.107 19.119 -1.456 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.452 20.403 -0.735 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.375 21.295 -1.265 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -4.853 20.724 0.478 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -6.692 22.469 -0.610 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.165 21.895 1.141 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.085 22.765 0.592 1.00 0.00 C ATOM 1055 OH TYR A 65 -6.399 23.933 1.249 1.00 0.00 O ATOM 0 H TYR A 65 -6.813 18.405 -3.294 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.546 20.286 -3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.889 18.384 -1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.183 18.716 -1.041 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.853 21.067 -2.206 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.131 20.046 0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.412 23.152 -1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.692 22.128 2.083 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.885 23.989 2.081 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.441 17.373 -4.364 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.602 16.336 -4.952 1.00 0.00 C ATOM 1067 C VAL A 66 -3.789 16.268 -6.463 1.00 0.00 C ATOM 1068 O VAL A 66 -4.548 17.046 -7.042 1.00 0.00 O ATOM 1069 CB VAL A 66 -3.912 14.954 -4.345 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.778 14.993 -2.830 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.302 14.492 -4.754 1.00 0.00 C ATOM 0 H VAL A 66 -5.414 17.353 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.568 16.600 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.188 14.237 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.001 14.008 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.760 15.276 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.477 15.723 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.504 13.514 -4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.043 15.209 -4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.357 14.422 -5.840 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.091 15.333 -7.099 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.180 15.161 -8.544 1.00 0.00 C ATOM 1083 C LYS A 67 -3.021 13.693 -8.928 1.00 0.00 C ATOM 1084 O LYS A 67 -2.339 12.931 -8.242 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.110 16.001 -9.245 1.00 0.00 C ATOM 1086 CG LYS A 67 -2.415 17.489 -9.254 1.00 0.00 C ATOM 1087 CD LYS A 67 -3.487 17.833 -10.274 1.00 0.00 C ATOM 1088 CE LYS A 67 -4.728 18.405 -9.606 1.00 0.00 C ATOM 1089 NZ LYS A 67 -5.385 19.441 -10.451 1.00 0.00 N ATOM 0 H LYS A 67 -2.457 14.682 -6.636 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.166 15.498 -8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.151 15.838 -8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.003 15.654 -10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.742 17.800 -8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.506 18.046 -9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.092 18.554 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.755 16.939 -10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.435 17.600 -9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.455 18.840 -8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.226 19.806 -9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.719 20.221 -10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.668 19.020 -11.359 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.655 13.303 -10.029 1.00 0.00 N ATOM 1104 CA LYS A 68 -3.582 11.927 -10.506 1.00 0.00 C ATOM 1105 C LYS A 68 -2.333 11.711 -11.356 1.00 0.00 C ATOM 1106 O LYS A 68 -2.015 12.521 -12.227 1.00 0.00 O ATOM 1107 CB LYS A 68 -4.831 11.581 -11.320 1.00 0.00 C ATOM 1108 CG LYS A 68 -5.195 10.107 -11.279 1.00 0.00 C ATOM 1109 CD LYS A 68 -4.599 9.353 -12.455 1.00 0.00 C ATOM 1110 CE LYS A 68 -5.544 9.342 -13.647 1.00 0.00 C ATOM 1111 NZ LYS A 68 -6.639 8.347 -13.478 1.00 0.00 N ATOM 0 H LYS A 68 -4.225 13.920 -10.607 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.528 11.270 -9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.672 12.165 -10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.673 11.879 -12.357 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.839 9.669 -10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.280 9.999 -11.288 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.654 9.814 -12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.376 8.329 -12.157 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.973 10.335 -13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.983 9.114 -14.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.261 8.370 -14.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.231 7.396 -13.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.191 8.579 -12.627 1.00 0.00 H new