USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 LYS NZ :NH3+ -164:sc= 0.253 (180deg=0) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.241 K(o=0.49,f=-0.98) USER MOD Set 2.1: A 28 SER OG : rot -17:sc= 0.227! USER MOD Set 2.2: A 30 ASN : amide:sc= -3.18! C(o=-3!,f=-4.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -151:sc= -0.0695 (180deg=-0.596) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0062 X(o=-0.0062,f=-0.097) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 0.195 (180deg=0.171) USER MOD Single : A 45 MET CE :methyl -158:sc= -0.138 (180deg=-0.638) USER MOD Single : A 62 THR OG1 : rot 130:sc= 1.21 USER MOD Single : A 68 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 130:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.835 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.808 4.075 -3.749 1.00 71.21 N ATOM 178 CA LYS A 13 -1.039 4.495 -5.126 1.00 33.31 C ATOM 179 C LYS A 13 -1.183 3.288 -6.046 1.00 64.53 C ATOM 180 O LYS A 13 -1.951 3.316 -7.009 1.00 71.41 O ATOM 181 CB LYS A 13 0.110 5.383 -5.608 1.00 41.34 C ATOM 182 CG LYS A 13 -0.277 6.843 -5.772 1.00 53.41 C ATOM 183 CD LYS A 13 0.892 7.767 -5.476 1.00 24.12 C ATOM 184 CE LYS A 13 0.679 9.147 -6.078 1.00 61.05 C ATOM 185 NZ LYS A 13 1.309 9.270 -7.421 1.00 31.13 N ATOM 0 HA LYS A 13 -1.968 5.064 -5.156 1.00 33.31 H new ATOM 0 HB2 LYS A 13 0.935 5.312 -4.899 1.00 41.34 H new ATOM 0 HB3 LYS A 13 0.476 5.003 -6.562 1.00 41.34 H new ATOM 0 HG2 LYS A 13 -0.629 7.015 -6.789 1.00 53.41 H new ATOM 0 HG3 LYS A 13 -1.106 7.078 -5.104 1.00 53.41 H new ATOM 0 HD2 LYS A 13 1.023 7.856 -4.398 1.00 24.12 H new ATOM 0 HD3 LYS A 13 1.810 7.333 -5.874 1.00 24.12 H new ATOM 0 HE2 LYS A 13 -0.389 9.347 -6.159 1.00 61.05 H new ATOM 0 HE3 LYS A 13 1.095 9.902 -5.411 1.00 61.05 H new ATOM 0 HZ1 LYS A 13 1.141 10.225 -7.797 1.00 31.13 H new ATOM 0 HZ2 LYS A 13 2.333 9.104 -7.341 1.00 31.13 H new ATOM 0 HZ3 LYS A 13 0.894 8.567 -8.065 1.00 31.13 H new ATOM 199 N LEU A 14 -0.442 2.227 -5.744 1.00 5.33 N ATOM 200 CA LEU A 14 -0.487 1.009 -6.544 1.00 62.25 C ATOM 201 C LEU A 14 -1.819 0.287 -6.361 1.00 2.21 C ATOM 202 O LEU A 14 -2.477 -0.080 -7.335 1.00 1.24 O ATOM 203 CB LEU A 14 0.666 0.080 -6.162 1.00 21.21 C ATOM 204 CG LEU A 14 1.929 0.192 -7.015 1.00 31.45 C ATOM 205 CD1 LEU A 14 1.648 -0.242 -8.446 1.00 15.24 C ATOM 206 CD2 LEU A 14 2.470 1.614 -6.984 1.00 75.44 C ATOM 0 H LEU A 14 0.197 2.186 -4.950 1.00 5.33 H new ATOM 0 HA LEU A 14 -0.387 1.289 -7.593 1.00 62.25 H new ATOM 0 HB2 LEU A 14 0.935 0.275 -5.124 1.00 21.21 H new ATOM 0 HB3 LEU A 14 0.309 -0.949 -6.211 1.00 21.21 H new ATOM 0 HG LEU A 14 2.685 -0.472 -6.597 1.00 31.45 H new ATOM 0 HD11 LEU A 14 2.559 -0.155 -9.038 1.00 15.24 H new ATOM 0 HD12 LEU A 14 1.308 -1.278 -8.452 1.00 15.24 H new ATOM 0 HD13 LEU A 14 0.875 0.396 -8.874 1.00 15.24 H new ATOM 0 HD21 LEU A 14 3.369 1.675 -7.597 1.00 75.44 H new ATOM 0 HD22 LEU A 14 1.717 2.298 -7.376 1.00 75.44 H new ATOM 0 HD23 LEU A 14 2.711 1.889 -5.957 1.00 75.44 H new ATOM 218 N TYR A 15 -2.211 0.091 -5.108 1.00 35.42 N ATOM 219 CA TYR A 15 -3.465 -0.587 -4.797 1.00 34.55 C ATOM 220 C TYR A 15 -4.658 0.214 -5.310 1.00 34.54 C ATOM 221 O TYR A 15 -5.520 -0.315 -6.012 1.00 20.45 O ATOM 222 CB TYR A 15 -3.591 -0.802 -3.287 1.00 22.34 C ATOM 223 CG TYR A 15 -4.834 -1.566 -2.887 1.00 45.51 C ATOM 224 CD1 TYR A 15 -4.874 -2.953 -2.958 1.00 62.14 C ATOM 225 CD2 TYR A 15 -5.966 -0.900 -2.435 1.00 63.23 C ATOM 226 CE1 TYR A 15 -6.007 -3.653 -2.594 1.00 63.54 C ATOM 227 CE2 TYR A 15 -7.103 -1.593 -2.068 1.00 15.30 C ATOM 228 CZ TYR A 15 -7.119 -2.970 -2.149 1.00 43.24 C ATOM 229 OH TYR A 15 -8.250 -3.664 -1.785 1.00 34.23 O ATOM 0 H TYR A 15 -1.680 0.391 -4.291 1.00 35.42 H new ATOM 0 HA TYR A 15 -3.460 -1.556 -5.296 1.00 34.55 H new ATOM 0 HB2 TYR A 15 -2.713 -1.340 -2.930 1.00 22.34 H new ATOM 0 HB3 TYR A 15 -3.594 0.168 -2.789 1.00 22.34 H new ATOM 0 HD1 TYR A 15 -4.005 -3.492 -3.304 1.00 62.14 H new ATOM 0 HD2 TYR A 15 -5.957 0.178 -2.369 1.00 63.23 H new ATOM 0 HE1 TYR A 15 -6.022 -4.731 -2.658 1.00 63.54 H new ATOM 0 HE2 TYR A 15 -7.975 -1.060 -1.719 1.00 15.30 H new ATOM 0 HH TYR A 15 -8.941 -3.033 -1.494 1.00 34.23 H new ATOM 239 N LYS A 16 -4.702 1.492 -4.952 1.00 2.41 N ATOM 240 CA LYS A 16 -5.787 2.368 -5.375 1.00 44.41 C ATOM 241 C LYS A 16 -5.851 2.459 -6.897 1.00 30.03 C ATOM 242 O LYS A 16 -6.879 2.830 -7.464 1.00 15.20 O ATOM 243 CB LYS A 16 -5.605 3.766 -4.779 1.00 33.44 C ATOM 244 CG LYS A 16 -4.562 4.604 -5.498 1.00 22.31 C ATOM 245 CD LYS A 16 -5.206 5.688 -6.346 1.00 52.14 C ATOM 246 CE LYS A 16 -4.953 7.072 -5.767 1.00 34.42 C ATOM 247 NZ LYS A 16 -3.865 7.785 -6.491 1.00 33.05 N ATOM 0 H LYS A 16 -3.998 1.945 -4.369 1.00 2.41 H new ATOM 0 HA LYS A 16 -6.724 1.944 -5.013 1.00 44.41 H new ATOM 0 HB2 LYS A 16 -6.560 4.290 -4.805 1.00 33.44 H new ATOM 0 HB3 LYS A 16 -5.322 3.671 -3.731 1.00 33.44 H new ATOM 0 HG2 LYS A 16 -3.894 5.061 -4.768 1.00 22.31 H new ATOM 0 HG3 LYS A 16 -3.950 3.961 -6.131 1.00 22.31 H new ATOM 0 HD2 LYS A 16 -4.812 5.639 -7.361 1.00 52.14 H new ATOM 0 HD3 LYS A 16 -6.279 5.510 -6.412 1.00 52.14 H new ATOM 0 HE2 LYS A 16 -5.869 7.660 -5.818 1.00 34.42 H new ATOM 0 HE3 LYS A 16 -4.690 6.982 -4.713 1.00 34.42 H new ATOM 0 HZ1 LYS A 16 -3.723 8.724 -6.067 1.00 33.05 H new ATOM 0 HZ2 LYS A 16 -2.984 7.237 -6.421 1.00 33.05 H new ATOM 0 HZ3 LYS A 16 -4.127 7.893 -7.492 1.00 33.05 H new ATOM 261 N ASP A 17 -4.748 2.116 -7.552 1.00 21.21 N ATOM 262 CA ASP A 17 -4.679 2.155 -9.008 1.00 41.43 C ATOM 263 C ASP A 17 -5.266 0.885 -9.615 1.00 4.20 C ATOM 264 O ASP A 17 -5.741 0.888 -10.750 1.00 61.32 O ATOM 265 CB ASP A 17 -3.232 2.335 -9.468 1.00 24.34 C ATOM 266 CG ASP A 17 -2.865 3.791 -9.673 1.00 1.20 C ATOM 267 OD1 ASP A 17 -3.757 4.580 -10.050 1.00 14.44 O ATOM 268 OD2 ASP A 17 -1.685 4.141 -9.457 1.00 50.05 O ATOM 0 H ASP A 17 -3.889 1.808 -7.098 1.00 21.21 H new ATOM 0 HA ASP A 17 -5.268 3.005 -9.351 1.00 41.43 H new ATOM 0 HB2 ASP A 17 -2.562 1.895 -8.729 1.00 24.34 H new ATOM 0 HB3 ASP A 17 -3.080 1.791 -10.400 1.00 24.34 H new ATOM 273 N GLY A 18 -5.227 -0.203 -8.851 1.00 54.24 N ATOM 274 CA GLY A 18 -5.757 -1.465 -9.329 1.00 3.05 C ATOM 275 C GLY A 18 -4.723 -2.573 -9.307 1.00 34.14 C ATOM 276 O GLY A 18 -4.778 -3.501 -10.115 1.00 13.20 O ATOM 0 H GLY A 18 -4.837 -0.232 -7.909 1.00 54.24 H new ATOM 0 HA2 GLY A 18 -6.609 -1.755 -8.713 1.00 3.05 H new ATOM 0 HA3 GLY A 18 -6.128 -1.338 -10.346 1.00 3.05 H new ATOM 280 N VAL A 19 -3.776 -2.478 -8.379 1.00 11.32 N ATOM 281 CA VAL A 19 -2.724 -3.480 -8.254 1.00 14.43 C ATOM 282 C VAL A 19 -2.994 -4.417 -7.083 1.00 32.30 C ATOM 283 O VAL A 19 -3.330 -3.990 -5.978 1.00 51.52 O ATOM 284 CB VAL A 19 -1.343 -2.824 -8.064 1.00 55.04 C ATOM 285 CG1 VAL A 19 -0.253 -3.882 -7.997 1.00 62.14 C ATOM 286 CG2 VAL A 19 -1.067 -1.831 -9.183 1.00 60.20 C ATOM 0 H VAL A 19 -3.716 -1.717 -7.702 1.00 11.32 H new ATOM 0 HA VAL A 19 -2.721 -4.053 -9.181 1.00 14.43 H new ATOM 0 HB VAL A 19 -1.345 -2.280 -7.119 1.00 55.04 H new ATOM 0 HG11 VAL A 19 0.715 -3.399 -7.863 1.00 62.14 H new ATOM 0 HG12 VAL A 19 -0.445 -4.550 -7.157 1.00 62.14 H new ATOM 0 HG13 VAL A 19 -0.246 -4.457 -8.923 1.00 62.14 H new ATOM 0 HG21 VAL A 19 -0.087 -1.377 -9.033 1.00 60.20 H new ATOM 0 HG22 VAL A 19 -1.084 -2.349 -10.142 1.00 60.20 H new ATOM 0 HG23 VAL A 19 -1.832 -1.054 -9.177 1.00 60.20 H new ATOM 296 N PRO A 20 -2.846 -5.728 -7.328 1.00 14.14 N ATOM 297 CA PRO A 20 -3.068 -6.754 -6.304 1.00 24.20 C ATOM 298 C PRO A 20 -1.995 -6.735 -5.221 1.00 53.43 C ATOM 299 O PRO A 20 -0.851 -6.356 -5.472 1.00 61.52 O ATOM 300 CB PRO A 20 -3.005 -8.063 -7.096 1.00 73.11 C ATOM 301 CG PRO A 20 -2.166 -7.746 -8.285 1.00 23.04 C ATOM 302 CD PRO A 20 -2.449 -6.308 -8.621 1.00 22.14 C ATOM 0 HA PRO A 20 -4.009 -6.604 -5.774 1.00 24.20 H new ATOM 0 HB2 PRO A 20 -2.564 -8.864 -6.503 1.00 73.11 H new ATOM 0 HB3 PRO A 20 -4.000 -8.396 -7.391 1.00 73.11 H new ATOM 0 HG2 PRO A 20 -1.108 -7.895 -8.067 1.00 23.04 H new ATOM 0 HG3 PRO A 20 -2.414 -8.398 -9.122 1.00 23.04 H new ATOM 0 HD2 PRO A 20 -1.570 -5.811 -9.032 1.00 22.14 H new ATOM 0 HD3 PRO A 20 -3.242 -6.217 -9.363 1.00 22.14 H new ATOM 310 N VAL A 21 -2.373 -7.146 -4.014 1.00 4.13 N ATOM 311 CA VAL A 21 -1.442 -7.177 -2.892 1.00 50.10 C ATOM 312 C VAL A 21 -0.163 -7.921 -3.259 1.00 61.42 C ATOM 313 O VAL A 21 0.942 -7.450 -2.989 1.00 52.34 O ATOM 314 CB VAL A 21 -2.075 -7.845 -1.657 1.00 14.43 C ATOM 315 CG1 VAL A 21 -1.082 -7.888 -0.505 1.00 25.23 C ATOM 316 CG2 VAL A 21 -3.346 -7.115 -1.249 1.00 2.53 C ATOM 0 H VAL A 21 -3.316 -7.462 -3.789 1.00 4.13 H new ATOM 0 HA VAL A 21 -1.200 -6.142 -2.653 1.00 50.10 H new ATOM 0 HB VAL A 21 -2.339 -8.870 -1.916 1.00 14.43 H new ATOM 0 HG11 VAL A 21 -1.547 -8.363 0.359 1.00 25.23 H new ATOM 0 HG12 VAL A 21 -0.203 -8.459 -0.804 1.00 25.23 H new ATOM 0 HG13 VAL A 21 -0.784 -6.873 -0.244 1.00 25.23 H new ATOM 0 HG21 VAL A 21 -3.780 -7.601 -0.375 1.00 2.53 H new ATOM 0 HG22 VAL A 21 -3.109 -6.079 -1.008 1.00 2.53 H new ATOM 0 HG23 VAL A 21 -4.061 -7.142 -2.071 1.00 2.53 H new ATOM 326 N LYS A 22 -0.320 -9.086 -3.879 1.00 12.22 N ATOM 327 CA LYS A 22 0.822 -9.897 -4.286 1.00 43.30 C ATOM 328 C LYS A 22 1.800 -9.077 -5.121 1.00 1.25 C ATOM 329 O LYS A 22 3.016 -9.210 -4.977 1.00 52.05 O ATOM 330 CB LYS A 22 0.351 -11.114 -5.083 1.00 30.40 C ATOM 331 CG LYS A 22 -0.393 -10.756 -6.359 1.00 0.13 C ATOM 332 CD LYS A 22 -1.522 -11.733 -6.639 1.00 20.33 C ATOM 333 CE LYS A 22 -1.335 -12.431 -7.977 1.00 64.23 C ATOM 334 NZ LYS A 22 -1.223 -11.458 -9.099 1.00 64.34 N ATOM 0 H LYS A 22 -1.228 -9.490 -4.111 1.00 12.22 H new ATOM 0 HA LYS A 22 1.335 -10.236 -3.386 1.00 43.30 H new ATOM 0 HB2 LYS A 22 1.215 -11.728 -5.337 1.00 30.40 H new ATOM 0 HB3 LYS A 22 -0.298 -11.722 -4.452 1.00 30.40 H new ATOM 0 HG2 LYS A 22 -0.796 -9.747 -6.275 1.00 0.13 H new ATOM 0 HG3 LYS A 22 0.303 -10.752 -7.198 1.00 0.13 H new ATOM 0 HD2 LYS A 22 -1.568 -12.476 -5.843 1.00 20.33 H new ATOM 0 HD3 LYS A 22 -2.474 -11.202 -6.634 1.00 20.33 H new ATOM 0 HE2 LYS A 22 -0.438 -13.050 -7.942 1.00 64.23 H new ATOM 0 HE3 LYS A 22 -2.176 -13.100 -8.159 1.00 64.23 H new ATOM 0 HZ1 LYS A 22 -1.581 -11.893 -9.973 1.00 64.34 H new ATOM 0 HZ2 LYS A 22 -1.784 -10.610 -8.880 1.00 64.34 H new ATOM 0 HZ3 LYS A 22 -0.226 -11.190 -9.228 1.00 64.34 H new ATOM 348 N GLU A 23 1.263 -8.229 -5.992 1.00 55.32 N ATOM 349 CA GLU A 23 2.090 -7.387 -6.849 1.00 35.41 C ATOM 350 C GLU A 23 2.654 -6.204 -6.067 1.00 43.43 C ATOM 351 O GLU A 23 3.828 -5.859 -6.204 1.00 21.22 O ATOM 352 CB GLU A 23 1.278 -6.884 -8.043 1.00 44.11 C ATOM 353 CG GLU A 23 2.044 -5.922 -8.937 1.00 60.50 C ATOM 354 CD GLU A 23 1.413 -5.772 -10.308 1.00 55.01 C ATOM 355 OE1 GLU A 23 0.996 -6.798 -10.884 1.00 22.13 O ATOM 356 OE2 GLU A 23 1.335 -4.628 -10.804 1.00 22.51 O ATOM 0 H GLU A 23 0.259 -8.107 -6.123 1.00 55.32 H new ATOM 0 HA GLU A 23 2.922 -7.989 -7.214 1.00 35.41 H new ATOM 0 HB2 GLU A 23 0.953 -7.738 -8.637 1.00 44.11 H new ATOM 0 HB3 GLU A 23 0.378 -6.389 -7.677 1.00 44.11 H new ATOM 0 HG2 GLU A 23 2.094 -4.946 -8.455 1.00 60.50 H new ATOM 0 HG3 GLU A 23 3.069 -6.275 -9.050 1.00 60.50 H new ATOM 363 N ILE A 24 1.809 -5.585 -5.250 1.00 62.14 N ATOM 364 CA ILE A 24 2.222 -4.440 -4.448 1.00 70.52 C ATOM 365 C ILE A 24 3.357 -4.814 -3.501 1.00 33.14 C ATOM 366 O ILE A 24 4.270 -4.024 -3.269 1.00 2.13 O ATOM 367 CB ILE A 24 1.047 -3.876 -3.626 1.00 10.35 C ATOM 368 CG1 ILE A 24 -0.098 -3.460 -4.551 1.00 51.42 C ATOM 369 CG2 ILE A 24 1.510 -2.697 -2.782 1.00 2.24 C ATOM 370 CD1 ILE A 24 -1.443 -3.405 -3.861 1.00 31.44 C ATOM 0 H ILE A 24 0.834 -5.857 -5.126 1.00 62.14 H new ATOM 0 HA ILE A 24 2.569 -3.675 -5.143 1.00 70.52 H new ATOM 0 HB ILE A 24 0.682 -4.656 -2.957 1.00 10.35 H new ATOM 0 HG12 ILE A 24 0.125 -2.480 -4.974 1.00 51.42 H new ATOM 0 HG13 ILE A 24 -0.154 -4.161 -5.384 1.00 51.42 H new ATOM 0 HG21 ILE A 24 0.669 -2.309 -2.207 1.00 2.24 H new ATOM 0 HG22 ILE A 24 2.296 -3.023 -2.101 1.00 2.24 H new ATOM 0 HG23 ILE A 24 1.897 -1.913 -3.433 1.00 2.24 H new ATOM 0 HD11 ILE A 24 -2.207 -3.103 -4.577 1.00 31.44 H new ATOM 0 HD12 ILE A 24 -1.688 -4.389 -3.462 1.00 31.44 H new ATOM 0 HD13 ILE A 24 -1.404 -2.683 -3.046 1.00 31.44 H new ATOM 382 N ALA A 25 3.293 -6.026 -2.959 1.00 13.21 N ATOM 383 CA ALA A 25 4.318 -6.507 -2.040 1.00 60.11 C ATOM 384 C ALA A 25 5.696 -6.479 -2.692 1.00 0.10 C ATOM 385 O ALA A 25 6.686 -6.106 -2.062 1.00 35.31 O ATOM 386 CB ALA A 25 3.985 -7.914 -1.568 1.00 75.14 C ATOM 0 H ALA A 25 2.542 -6.693 -3.140 1.00 13.21 H new ATOM 0 HA ALA A 25 4.339 -5.841 -1.177 1.00 60.11 H new ATOM 0 HB1 ALA A 25 4.759 -8.260 -0.883 1.00 75.14 H new ATOM 0 HB2 ALA A 25 3.023 -7.908 -1.056 1.00 75.14 H new ATOM 0 HB3 ALA A 25 3.935 -8.583 -2.427 1.00 75.14 H new ATOM 392 N LYS A 26 5.754 -6.875 -3.959 1.00 1.33 N ATOM 393 CA LYS A 26 7.012 -6.894 -4.698 1.00 31.41 C ATOM 394 C LYS A 26 7.492 -5.478 -4.993 1.00 53.22 C ATOM 395 O LYS A 26 8.632 -5.123 -4.690 1.00 44.55 O ATOM 396 CB LYS A 26 6.846 -7.671 -6.006 1.00 63.43 C ATOM 397 CG LYS A 26 6.261 -9.060 -5.820 1.00 35.14 C ATOM 398 CD LYS A 26 7.085 -9.886 -4.845 1.00 44.11 C ATOM 399 CE LYS A 26 8.497 -10.113 -5.362 1.00 41.54 C ATOM 400 NZ LYS A 26 8.840 -11.560 -5.421 1.00 45.15 N ATOM 0 H LYS A 26 4.945 -7.187 -4.496 1.00 1.33 H new ATOM 0 HA LYS A 26 7.760 -7.390 -4.080 1.00 31.41 H new ATOM 0 HB2 LYS A 26 6.203 -7.102 -6.677 1.00 63.43 H new ATOM 0 HB3 LYS A 26 7.817 -7.758 -6.493 1.00 63.43 H new ATOM 0 HG2 LYS A 26 5.237 -8.979 -5.455 1.00 35.14 H new ATOM 0 HG3 LYS A 26 6.217 -9.569 -6.783 1.00 35.14 H new ATOM 0 HD2 LYS A 26 7.126 -9.379 -3.881 1.00 44.11 H new ATOM 0 HD3 LYS A 26 6.598 -10.847 -4.679 1.00 44.11 H new ATOM 0 HE2 LYS A 26 8.594 -9.676 -6.356 1.00 41.54 H new ATOM 0 HE3 LYS A 26 9.208 -9.597 -4.716 1.00 41.54 H new ATOM 0 HZ1 LYS A 26 9.810 -11.673 -5.778 1.00 45.15 H new ATOM 0 HZ2 LYS A 26 8.772 -11.972 -4.469 1.00 45.15 H new ATOM 0 HZ3 LYS A 26 8.178 -12.048 -6.057 1.00 45.15 H new ATOM 414 N ARG A 27 6.616 -4.671 -5.583 1.00 74.43 N ATOM 415 CA ARG A 27 6.950 -3.292 -5.918 1.00 32.33 C ATOM 416 C ARG A 27 7.396 -2.525 -4.677 1.00 0.54 C ATOM 417 O ARG A 27 8.440 -1.872 -4.681 1.00 12.32 O ATOM 418 CB ARG A 27 5.749 -2.595 -6.559 1.00 13.44 C ATOM 419 CG ARG A 27 5.951 -2.261 -8.028 1.00 15.33 C ATOM 420 CD ARG A 27 6.247 -0.783 -8.228 1.00 2.43 C ATOM 421 NE ARG A 27 7.182 -0.556 -9.327 1.00 22.00 N ATOM 422 CZ ARG A 27 6.823 -0.540 -10.605 1.00 62.25 C ATOM 423 NH1 ARG A 27 5.556 -0.736 -10.944 1.00 73.34 N ATOM 424 NH2 ARG A 27 7.731 -0.327 -11.549 1.00 31.31 N ATOM 0 H ARG A 27 5.669 -4.949 -5.839 1.00 74.43 H new ATOM 0 HA ARG A 27 7.775 -3.306 -6.631 1.00 32.33 H new ATOM 0 HB2 ARG A 27 4.872 -3.234 -6.458 1.00 13.44 H new ATOM 0 HB3 ARG A 27 5.538 -1.676 -6.012 1.00 13.44 H new ATOM 0 HG2 ARG A 27 6.773 -2.855 -8.428 1.00 15.33 H new ATOM 0 HG3 ARG A 27 5.058 -2.534 -8.590 1.00 15.33 H new ATOM 0 HD2 ARG A 27 5.317 -0.251 -8.428 1.00 2.43 H new ATOM 0 HD3 ARG A 27 6.661 -0.368 -7.309 1.00 2.43 H new ATOM 0 HE ARG A 27 8.164 -0.401 -9.100 1.00 22.00 H new ATOM 0 HH11 ARG A 27 4.854 -0.900 -10.222 1.00 73.34 H new ATOM 0 HH12 ARG A 27 5.283 -0.723 -11.927 1.00 73.34 H new ATOM 0 HH21 ARG A 27 8.707 -0.175 -11.293 1.00 31.31 H new ATOM 0 HH22 ARG A 27 7.453 -0.315 -12.530 1.00 31.31 H new ATOM 438 N SER A 28 6.598 -2.607 -3.618 1.00 40.22 N ATOM 439 CA SER A 28 6.907 -1.916 -2.371 1.00 1.32 C ATOM 440 C SER A 28 8.003 -2.648 -1.603 1.00 11.35 C ATOM 441 O SER A 28 8.578 -2.110 -0.657 1.00 20.43 O ATOM 442 CB SER A 28 5.653 -1.796 -1.505 1.00 35.42 C ATOM 443 OG SER A 28 5.970 -1.308 -0.212 1.00 44.31 O ATOM 0 H SER A 28 5.732 -3.145 -3.598 1.00 40.22 H new ATOM 0 HA SER A 28 7.265 -0.916 -2.617 1.00 1.32 H new ATOM 0 HB2 SER A 28 4.939 -1.127 -1.985 1.00 35.42 H new ATOM 0 HB3 SER A 28 5.171 -2.770 -1.421 1.00 35.42 H new ATOM 0 HG SER A 28 6.931 -1.410 -0.051 1.00 44.31 H new ATOM 449 N ASN A 29 8.286 -3.879 -2.017 1.00 15.04 N ATOM 450 CA ASN A 29 9.312 -4.687 -1.367 1.00 1.43 C ATOM 451 C ASN A 29 8.938 -4.981 0.083 1.00 43.44 C ATOM 452 O ASN A 29 9.801 -5.043 0.957 1.00 62.40 O ATOM 453 CB ASN A 29 10.664 -3.971 -1.421 1.00 21.43 C ATOM 454 CG ASN A 29 11.799 -4.907 -1.792 1.00 45.45 C ATOM 455 OD1 ASN A 29 11.742 -5.596 -2.810 1.00 33.54 O ATOM 456 ND2 ASN A 29 12.838 -4.932 -0.965 1.00 23.30 N ATOM 0 H ASN A 29 7.820 -4.339 -2.799 1.00 15.04 H new ATOM 0 HA ASN A 29 9.386 -5.633 -1.903 1.00 1.43 H new ATOM 0 HB2 ASN A 29 10.614 -3.160 -2.147 1.00 21.43 H new ATOM 0 HB3 ASN A 29 10.872 -3.519 -0.451 1.00 21.43 H new ATOM 0 HD21 ASN A 29 13.633 -5.540 -1.163 1.00 23.30 H new ATOM 0 HD22 ASN A 29 12.841 -4.343 -0.132 1.00 23.30 H new ATOM 463 N ASN A 30 7.644 -5.160 0.328 1.00 10.44 N ATOM 464 CA ASN A 30 7.154 -5.446 1.671 1.00 13.03 C ATOM 465 C ASN A 30 6.529 -6.836 1.737 1.00 63.30 C ATOM 466 O ASN A 30 6.494 -7.560 0.742 1.00 72.10 O ATOM 467 CB ASN A 30 6.131 -4.394 2.099 1.00 55.35 C ATOM 468 CG ASN A 30 6.732 -3.337 3.006 1.00 72.10 C ATOM 469 OD1 ASN A 30 7.683 -3.602 3.742 1.00 62.41 O ATOM 470 ND2 ASN A 30 6.178 -2.131 2.957 1.00 33.22 N ATOM 0 H ASN A 30 6.917 -5.112 -0.385 1.00 10.44 H new ATOM 0 HA ASN A 30 8.003 -5.415 2.354 1.00 13.03 H new ATOM 0 HB2 ASN A 30 5.715 -3.914 1.213 1.00 55.35 H new ATOM 0 HB3 ASN A 30 5.305 -4.884 2.614 1.00 55.35 H new ATOM 0 HD21 ASN A 30 6.539 -1.380 3.544 1.00 33.22 H new ATOM 0 HD22 ASN A 30 5.391 -1.956 2.332 1.00 33.22 H new ATOM 477 N SER A 31 6.035 -7.202 2.916 1.00 72.05 N ATOM 478 CA SER A 31 5.412 -8.507 3.113 1.00 4.43 C ATOM 479 C SER A 31 3.898 -8.417 2.947 1.00 2.43 C ATOM 480 O SER A 31 3.316 -7.338 3.047 1.00 20.52 O ATOM 481 CB SER A 31 5.754 -9.054 4.500 1.00 23.20 C ATOM 482 OG SER A 31 6.407 -10.308 4.407 1.00 34.03 O ATOM 0 H SER A 31 6.054 -6.614 3.749 1.00 72.05 H new ATOM 0 HA SER A 31 5.802 -9.187 2.356 1.00 4.43 H new ATOM 0 HB2 SER A 31 6.394 -8.345 5.026 1.00 23.20 H new ATOM 0 HB3 SER A 31 4.842 -9.158 5.088 1.00 23.20 H new ATOM 0 HG SER A 31 6.616 -10.635 5.307 1.00 34.03 H new ATOM 488 N MET A 32 3.270 -9.560 2.692 1.00 53.14 N ATOM 489 CA MET A 32 1.823 -9.611 2.514 1.00 12.22 C ATOM 490 C MET A 32 1.105 -8.993 3.709 1.00 12.33 C ATOM 491 O MET A 32 0.070 -8.344 3.556 1.00 15.15 O ATOM 492 CB MET A 32 1.363 -11.057 2.320 1.00 61.44 C ATOM 493 CG MET A 32 0.318 -11.221 1.229 1.00 65.43 C ATOM 494 SD MET A 32 -0.919 -12.470 1.633 1.00 51.55 S ATOM 495 CE MET A 32 -0.238 -13.903 0.803 1.00 54.13 C ATOM 0 H MET A 32 3.739 -10.462 2.604 1.00 53.14 H new ATOM 0 HA MET A 32 1.571 -9.034 1.624 1.00 12.22 H new ATOM 0 HB2 MET A 32 2.228 -11.675 2.079 1.00 61.44 H new ATOM 0 HB3 MET A 32 0.956 -11.430 3.260 1.00 61.44 H new ATOM 0 HG2 MET A 32 -0.178 -10.265 1.060 1.00 65.43 H new ATOM 0 HG3 MET A 32 0.812 -11.493 0.296 1.00 65.43 H new ATOM 0 HE1 MET A 32 -0.893 -14.760 0.961 1.00 54.13 H new ATOM 0 HE2 MET A 32 -0.156 -13.700 -0.265 1.00 54.13 H new ATOM 0 HE3 MET A 32 0.750 -14.122 1.207 1.00 54.13 H new ATOM 505 N SER A 33 1.661 -9.198 4.899 1.00 52.23 N ATOM 506 CA SER A 33 1.071 -8.664 6.121 1.00 53.21 C ATOM 507 C SER A 33 1.397 -7.182 6.279 1.00 4.13 C ATOM 508 O SER A 33 0.724 -6.460 7.016 1.00 63.44 O ATOM 509 CB SER A 33 1.577 -9.441 7.339 1.00 23.41 C ATOM 510 OG SER A 33 1.641 -10.830 7.066 1.00 4.11 O ATOM 0 H SER A 33 2.519 -9.730 5.043 1.00 52.23 H new ATOM 0 HA SER A 33 -0.011 -8.775 6.051 1.00 53.21 H new ATOM 0 HB2 SER A 33 2.565 -9.077 7.622 1.00 23.41 H new ATOM 0 HB3 SER A 33 0.916 -9.264 8.188 1.00 23.41 H new ATOM 0 HG SER A 33 1.969 -11.304 7.859 1.00 4.11 H new ATOM 516 N THR A 34 2.435 -6.733 5.580 1.00 32.14 N ATOM 517 CA THR A 34 2.853 -5.338 5.643 1.00 50.25 C ATOM 518 C THR A 34 2.048 -4.480 4.673 1.00 42.24 C ATOM 519 O THR A 34 1.506 -3.441 5.050 1.00 54.23 O ATOM 520 CB THR A 34 4.352 -5.185 5.323 1.00 32.02 C ATOM 521 OG1 THR A 34 5.131 -5.943 6.256 1.00 10.44 O ATOM 522 CG2 THR A 34 4.770 -3.724 5.375 1.00 11.20 C ATOM 0 H THR A 34 3.002 -7.316 4.964 1.00 32.14 H new ATOM 0 HA THR A 34 2.671 -4.999 6.663 1.00 50.25 H new ATOM 0 HB THR A 34 4.526 -5.560 4.315 1.00 32.02 H new ATOM 0 HG1 THR A 34 6.083 -5.842 6.045 1.00 10.44 H new ATOM 0 HG21 THR A 34 5.832 -3.641 5.146 1.00 11.20 H new ATOM 0 HG22 THR A 34 4.196 -3.155 4.644 1.00 11.20 H new ATOM 0 HG23 THR A 34 4.582 -3.327 6.373 1.00 11.20 H new ATOM 530 N VAL A 35 1.974 -4.920 3.421 1.00 40.11 N ATOM 531 CA VAL A 35 1.234 -4.192 2.397 1.00 33.34 C ATOM 532 C VAL A 35 -0.255 -4.149 2.722 1.00 34.14 C ATOM 533 O VAL A 35 -0.845 -3.075 2.837 1.00 30.43 O ATOM 534 CB VAL A 35 1.426 -4.829 1.008 1.00 2.52 C ATOM 535 CG1 VAL A 35 0.355 -4.342 0.044 1.00 13.21 C ATOM 536 CG2 VAL A 35 2.816 -4.522 0.471 1.00 4.21 C ATOM 0 H VAL A 35 2.418 -5.777 3.091 1.00 40.11 H new ATOM 0 HA VAL A 35 1.629 -3.176 2.381 1.00 33.34 H new ATOM 0 HB VAL A 35 1.328 -5.910 1.106 1.00 2.52 H new ATOM 0 HG11 VAL A 35 0.507 -4.803 -0.932 1.00 13.21 H new ATOM 0 HG12 VAL A 35 -0.629 -4.615 0.425 1.00 13.21 H new ATOM 0 HG13 VAL A 35 0.418 -3.258 -0.053 1.00 13.21 H new ATOM 0 HG21 VAL A 35 2.936 -4.979 -0.511 1.00 4.21 H new ATOM 0 HG22 VAL A 35 2.943 -3.443 0.387 1.00 4.21 H new ATOM 0 HG23 VAL A 35 3.566 -4.924 1.152 1.00 4.21 H new ATOM 546 N TYR A 36 -0.857 -5.325 2.870 1.00 40.34 N ATOM 547 CA TYR A 36 -2.279 -5.422 3.180 1.00 21.03 C ATOM 548 C TYR A 36 -2.628 -4.578 4.402 1.00 43.15 C ATOM 549 O TYR A 36 -3.677 -3.933 4.447 1.00 23.43 O ATOM 550 CB TYR A 36 -2.671 -6.880 3.424 1.00 3.43 C ATOM 551 CG TYR A 36 -4.142 -7.155 3.213 1.00 64.21 C ATOM 552 CD1 TYR A 36 -4.753 -6.878 1.996 1.00 3.13 C ATOM 553 CD2 TYR A 36 -4.921 -7.694 4.229 1.00 51.24 C ATOM 554 CE1 TYR A 36 -6.097 -7.127 1.798 1.00 31.43 C ATOM 555 CE2 TYR A 36 -6.265 -7.947 4.040 1.00 71.21 C ATOM 556 CZ TYR A 36 -6.849 -7.662 2.823 1.00 70.31 C ATOM 557 OH TYR A 36 -8.188 -7.913 2.630 1.00 35.40 O ATOM 0 H TYR A 36 -0.383 -6.223 2.780 1.00 40.34 H new ATOM 0 HA TYR A 36 -2.838 -5.041 2.326 1.00 21.03 H new ATOM 0 HB2 TYR A 36 -2.091 -7.520 2.758 1.00 3.43 H new ATOM 0 HB3 TYR A 36 -2.401 -7.154 4.444 1.00 3.43 H new ATOM 0 HD1 TYR A 36 -4.167 -6.461 1.191 1.00 3.13 H new ATOM 0 HD2 TYR A 36 -4.468 -7.919 5.183 1.00 51.24 H new ATOM 0 HE1 TYR A 36 -6.556 -6.904 0.846 1.00 31.43 H new ATOM 0 HE2 TYR A 36 -6.856 -8.366 4.841 1.00 71.21 H new ATOM 0 HH TYR A 36 -8.572 -8.290 3.449 1.00 35.40 H new ATOM 567 N LYS A 37 -1.742 -4.586 5.391 1.00 41.32 N ATOM 568 CA LYS A 37 -1.954 -3.820 6.615 1.00 25.23 C ATOM 569 C LYS A 37 -2.059 -2.328 6.312 1.00 24.43 C ATOM 570 O LYS A 37 -2.743 -1.590 7.018 1.00 45.43 O ATOM 571 CB LYS A 37 -0.811 -4.072 7.602 1.00 61.32 C ATOM 572 CG LYS A 37 -0.838 -3.152 8.810 1.00 41.20 C ATOM 573 CD LYS A 37 -0.487 -3.897 10.086 1.00 71.32 C ATOM 574 CE LYS A 37 -1.157 -3.270 11.300 1.00 23.32 C ATOM 575 NZ LYS A 37 -2.274 -4.112 11.812 1.00 12.31 N ATOM 0 H LYS A 37 -0.870 -5.114 5.370 1.00 41.32 H new ATOM 0 HA LYS A 37 -2.892 -4.149 7.062 1.00 25.23 H new ATOM 0 HB2 LYS A 37 -0.857 -5.106 7.942 1.00 61.32 H new ATOM 0 HB3 LYS A 37 0.140 -3.949 7.083 1.00 61.32 H new ATOM 0 HG2 LYS A 37 -0.134 -2.333 8.661 1.00 41.20 H new ATOM 0 HG3 LYS A 37 -1.828 -2.707 8.908 1.00 41.20 H new ATOM 0 HD2 LYS A 37 -0.795 -4.939 9.997 1.00 71.32 H new ATOM 0 HD3 LYS A 37 0.594 -3.895 10.224 1.00 71.32 H new ATOM 0 HE2 LYS A 37 -0.419 -3.127 12.089 1.00 23.32 H new ATOM 0 HE3 LYS A 37 -1.537 -2.283 11.036 1.00 23.32 H new ATOM 0 HZ1 LYS A 37 -2.705 -3.651 12.639 1.00 12.31 H new ATOM 0 HZ2 LYS A 37 -2.991 -4.228 11.067 1.00 12.31 H new ATOM 0 HZ3 LYS A 37 -1.907 -5.045 12.088 1.00 12.31 H new ATOM 589 N ALA A 38 -1.377 -1.894 5.257 1.00 63.30 N ATOM 590 CA ALA A 38 -1.397 -0.492 4.858 1.00 14.22 C ATOM 591 C ALA A 38 -2.690 -0.148 4.129 1.00 42.32 C ATOM 592 O ALA A 38 -3.266 0.922 4.336 1.00 53.03 O ATOM 593 CB ALA A 38 -0.194 -0.175 3.984 1.00 51.40 C ATOM 0 H ALA A 38 -0.804 -2.493 4.663 1.00 63.30 H new ATOM 0 HA ALA A 38 -1.347 0.118 5.760 1.00 14.22 H new ATOM 0 HB1 ALA A 38 -0.222 0.875 3.694 1.00 51.40 H new ATOM 0 HB2 ALA A 38 0.722 -0.373 4.540 1.00 51.40 H new ATOM 0 HB3 ALA A 38 -0.219 -0.799 3.091 1.00 51.40 H new ATOM 599 N LEU A 39 -3.142 -1.058 3.273 1.00 40.22 N ATOM 600 CA LEU A 39 -4.368 -0.849 2.510 1.00 33.02 C ATOM 601 C LEU A 39 -5.558 -0.642 3.441 1.00 73.33 C ATOM 602 O LEU A 39 -6.322 0.311 3.284 1.00 61.41 O ATOM 603 CB LEU A 39 -4.628 -2.042 1.589 1.00 24.12 C ATOM 604 CG LEU A 39 -3.444 -2.503 0.738 1.00 41.22 C ATOM 605 CD1 LEU A 39 -3.809 -3.750 -0.053 1.00 0.35 C ATOM 606 CD2 LEU A 39 -2.992 -1.389 -0.195 1.00 64.31 C ATOM 0 H LEU A 39 -2.678 -1.948 3.090 1.00 40.22 H new ATOM 0 HA LEU A 39 -4.243 0.049 1.905 1.00 33.02 H new ATOM 0 HB2 LEU A 39 -4.959 -2.882 2.200 1.00 24.12 H new ATOM 0 HB3 LEU A 39 -5.452 -1.788 0.922 1.00 24.12 H new ATOM 0 HG LEU A 39 -2.617 -2.750 1.403 1.00 41.22 H new ATOM 0 HD11 LEU A 39 -2.955 -4.064 -0.653 1.00 0.35 H new ATOM 0 HD12 LEU A 39 -4.083 -4.550 0.635 1.00 0.35 H new ATOM 0 HD13 LEU A 39 -4.652 -3.531 -0.709 1.00 0.35 H new ATOM 0 HD21 LEU A 39 -2.149 -1.735 -0.793 1.00 64.31 H new ATOM 0 HD22 LEU A 39 -3.814 -1.110 -0.854 1.00 64.31 H new ATOM 0 HD23 LEU A 39 -2.689 -0.523 0.393 1.00 64.31 H new ATOM 618 N GLU A 40 -5.709 -1.539 4.410 1.00 73.44 N ATOM 619 CA GLU A 40 -6.807 -1.453 5.365 1.00 53.30 C ATOM 620 C GLU A 40 -6.772 -0.125 6.116 1.00 55.03 C ATOM 621 O GLU A 40 -7.812 0.418 6.490 1.00 65.12 O ATOM 622 CB GLU A 40 -6.739 -2.615 6.360 1.00 72.24 C ATOM 623 CG GLU A 40 -5.396 -2.740 7.058 1.00 33.32 C ATOM 624 CD GLU A 40 -5.447 -3.669 8.256 1.00 22.04 C ATOM 625 OE1 GLU A 40 -6.285 -4.595 8.255 1.00 2.12 O ATOM 626 OE2 GLU A 40 -4.647 -3.469 9.195 1.00 30.13 O ATOM 0 H GLU A 40 -5.085 -2.333 4.554 1.00 73.44 H new ATOM 0 HA GLU A 40 -7.743 -1.513 4.810 1.00 53.30 H new ATOM 0 HB2 GLU A 40 -7.519 -2.486 7.111 1.00 72.24 H new ATOM 0 HB3 GLU A 40 -6.954 -3.545 5.834 1.00 72.24 H new ATOM 0 HG2 GLU A 40 -4.655 -3.108 6.349 1.00 33.32 H new ATOM 0 HG3 GLU A 40 -5.065 -1.753 7.382 1.00 33.32 H new ATOM 633 N LYS A 41 -5.568 0.393 6.334 1.00 55.24 N ATOM 634 CA LYS A 41 -5.395 1.657 7.039 1.00 51.43 C ATOM 635 C LYS A 41 -5.683 2.838 6.116 1.00 14.20 C ATOM 636 O LYS A 41 -6.254 3.844 6.540 1.00 4.30 O ATOM 637 CB LYS A 41 -3.973 1.765 7.593 1.00 11.45 C ATOM 638 CG LYS A 41 -3.908 1.749 9.111 1.00 52.14 C ATOM 639 CD LYS A 41 -4.043 0.339 9.660 1.00 41.21 C ATOM 640 CE LYS A 41 -5.480 0.029 10.053 1.00 51.00 C ATOM 641 NZ LYS A 41 -5.555 -1.070 11.056 1.00 52.31 N ATOM 0 H LYS A 41 -4.697 -0.044 6.032 1.00 55.24 H new ATOM 0 HA LYS A 41 -6.104 1.683 7.867 1.00 51.43 H new ATOM 0 HB2 LYS A 41 -3.377 0.940 7.204 1.00 11.45 H new ATOM 0 HB3 LYS A 41 -3.519 2.686 7.228 1.00 11.45 H new ATOM 0 HG2 LYS A 41 -2.962 2.180 9.440 1.00 52.14 H new ATOM 0 HG3 LYS A 41 -4.702 2.376 9.517 1.00 52.14 H new ATOM 0 HD2 LYS A 41 -3.707 -0.378 8.911 1.00 41.21 H new ATOM 0 HD3 LYS A 41 -3.394 0.222 10.528 1.00 41.21 H new ATOM 0 HE2 LYS A 41 -5.947 0.926 10.461 1.00 51.00 H new ATOM 0 HE3 LYS A 41 -6.047 -0.250 9.165 1.00 51.00 H new ATOM 0 HZ1 LYS A 41 -6.533 -1.161 11.399 1.00 52.31 H new ATOM 0 HZ2 LYS A 41 -5.258 -1.964 10.615 1.00 52.31 H new ATOM 0 HZ3 LYS A 41 -4.926 -0.854 11.856 1.00 52.31 H new ATOM 655 N LEU A 42 -5.286 2.709 4.855 1.00 54.00 N ATOM 656 CA LEU A 42 -5.503 3.765 3.873 1.00 30.04 C ATOM 657 C LEU A 42 -6.983 3.892 3.529 1.00 43.34 C ATOM 658 O LEU A 42 -7.549 4.984 3.575 1.00 23.22 O ATOM 659 CB LEU A 42 -4.695 3.483 2.605 1.00 20.44 C ATOM 660 CG LEU A 42 -3.177 3.439 2.773 1.00 2.24 C ATOM 661 CD1 LEU A 42 -2.563 2.426 1.818 1.00 11.42 C ATOM 662 CD2 LEU A 42 -2.575 4.818 2.549 1.00 23.10 C ATOM 0 H LEU A 42 -4.812 1.883 4.489 1.00 54.00 H new ATOM 0 HA LEU A 42 -5.168 4.707 4.308 1.00 30.04 H new ATOM 0 HB2 LEU A 42 -5.023 2.528 2.194 1.00 20.44 H new ATOM 0 HB3 LEU A 42 -4.937 4.247 1.867 1.00 20.44 H new ATOM 0 HG LEU A 42 -2.953 3.128 3.793 1.00 2.24 H new ATOM 0 HD11 LEU A 42 -1.481 2.409 1.952 1.00 11.42 H new ATOM 0 HD12 LEU A 42 -2.970 1.437 2.026 1.00 11.42 H new ATOM 0 HD13 LEU A 42 -2.797 2.706 0.791 1.00 11.42 H new ATOM 0 HD21 LEU A 42 -1.493 4.767 2.673 1.00 23.10 H new ATOM 0 HD22 LEU A 42 -2.809 5.158 1.540 1.00 23.10 H new ATOM 0 HD23 LEU A 42 -2.991 5.518 3.273 1.00 23.10 H new ATOM 674 N GLU A 43 -7.605 2.769 3.186 1.00 22.05 N ATOM 675 CA GLU A 43 -9.020 2.755 2.835 1.00 33.01 C ATOM 676 C GLU A 43 -9.864 3.353 3.957 1.00 51.31 C ATOM 677 O GLU A 43 -10.884 3.995 3.707 1.00 3.44 O ATOM 678 CB GLU A 43 -9.482 1.327 2.540 1.00 74.12 C ATOM 679 CG GLU A 43 -10.253 1.193 1.238 1.00 75.45 C ATOM 680 CD GLU A 43 -10.872 -0.181 1.065 1.00 33.21 C ATOM 681 OE1 GLU A 43 -10.123 -1.179 1.121 1.00 71.10 O ATOM 682 OE2 GLU A 43 -12.103 -0.258 0.872 1.00 22.15 O ATOM 0 H GLU A 43 -7.151 1.857 3.144 1.00 22.05 H new ATOM 0 HA GLU A 43 -9.152 3.363 1.940 1.00 33.01 H new ATOM 0 HB2 GLU A 43 -8.611 0.672 2.506 1.00 74.12 H new ATOM 0 HB3 GLU A 43 -10.109 0.980 3.361 1.00 74.12 H new ATOM 0 HG2 GLU A 43 -11.039 1.948 1.206 1.00 75.45 H new ATOM 0 HG3 GLU A 43 -9.584 1.394 0.401 1.00 75.45 H new ATOM 689 N ALA A 44 -9.432 3.136 5.195 1.00 33.13 N ATOM 690 CA ALA A 44 -10.145 3.654 6.356 1.00 31.11 C ATOM 691 C ALA A 44 -10.082 5.177 6.405 1.00 21.15 C ATOM 692 O ALA A 44 -10.932 5.823 7.017 1.00 32.54 O ATOM 693 CB ALA A 44 -9.576 3.058 7.634 1.00 35.15 C ATOM 0 H ALA A 44 -8.591 2.604 5.420 1.00 33.13 H new ATOM 0 HA ALA A 44 -11.192 3.363 6.268 1.00 31.11 H new ATOM 0 HB1 ALA A 44 -10.118 3.454 8.493 1.00 35.15 H new ATOM 0 HB2 ALA A 44 -9.680 1.973 7.608 1.00 35.15 H new ATOM 0 HB3 ALA A 44 -8.521 3.319 7.719 1.00 35.15 H new ATOM 699 N MET A 45 -9.070 5.743 5.757 1.00 3.24 N ATOM 700 CA MET A 45 -8.897 7.191 5.727 1.00 1.23 C ATOM 701 C MET A 45 -9.430 7.775 4.423 1.00 32.12 C ATOM 702 O MET A 45 -9.816 8.942 4.366 1.00 40.03 O ATOM 703 CB MET A 45 -7.419 7.553 5.895 1.00 71.21 C ATOM 704 CG MET A 45 -6.884 7.288 7.294 1.00 62.15 C ATOM 705 SD MET A 45 -7.510 8.461 8.511 1.00 44.43 S ATOM 706 CE MET A 45 -6.722 9.973 7.959 1.00 55.11 C ATOM 0 H MET A 45 -8.357 5.222 5.246 1.00 3.24 H new ATOM 0 HA MET A 45 -9.465 7.617 6.554 1.00 1.23 H new ATOM 0 HB2 MET A 45 -6.830 6.984 5.176 1.00 71.21 H new ATOM 0 HB3 MET A 45 -7.282 8.608 5.656 1.00 71.21 H new ATOM 0 HG2 MET A 45 -7.155 6.277 7.597 1.00 62.15 H new ATOM 0 HG3 MET A 45 -5.795 7.334 7.277 1.00 62.15 H new ATOM 0 HE1 MET A 45 -6.677 10.683 8.785 1.00 55.11 H new ATOM 0 HE2 MET A 45 -5.711 9.752 7.615 1.00 55.11 H new ATOM 0 HE3 MET A 45 -7.297 10.405 7.140 1.00 55.11 H new ATOM 716 N GLY A 46 -9.447 6.956 3.376 1.00 71.42 N ATOM 717 CA GLY A 46 -9.935 7.410 2.086 1.00 15.13 C ATOM 718 C GLY A 46 -8.811 7.804 1.148 1.00 65.44 C ATOM 719 O GLY A 46 -9.008 8.608 0.237 1.00 31.03 O ATOM 0 H GLY A 46 -9.132 5.986 3.398 1.00 71.42 H new ATOM 0 HA2 GLY A 46 -10.528 6.619 1.626 1.00 15.13 H new ATOM 0 HA3 GLY A 46 -10.599 8.262 2.231 1.00 15.13 H new ATOM 723 N ARG A 47 -7.630 7.237 1.371 1.00 4.40 N ATOM 724 CA ARG A 47 -6.470 7.536 0.539 1.00 32.51 C ATOM 725 C ARG A 47 -6.509 6.732 -0.758 1.00 54.31 C ATOM 726 O ARG A 47 -6.256 7.265 -1.837 1.00 44.22 O ATOM 727 CB ARG A 47 -5.179 7.233 1.301 1.00 21.33 C ATOM 728 CG ARG A 47 -5.196 7.708 2.744 1.00 54.55 C ATOM 729 CD ARG A 47 -5.491 9.199 2.835 1.00 33.44 C ATOM 730 NE ARG A 47 -4.442 9.920 3.551 1.00 2.22 N ATOM 731 CZ ARG A 47 -3.296 10.294 2.993 1.00 10.11 C ATOM 732 NH1 ARG A 47 -3.053 10.017 1.720 1.00 63.13 N ATOM 733 NH2 ARG A 47 -2.390 10.948 3.709 1.00 45.24 N ATOM 0 H ARG A 47 -7.451 6.568 2.120 1.00 4.40 H new ATOM 0 HA ARG A 47 -6.496 8.597 0.289 1.00 32.51 H new ATOM 0 HB2 ARG A 47 -5.001 6.158 1.284 1.00 21.33 H new ATOM 0 HB3 ARG A 47 -4.343 7.703 0.783 1.00 21.33 H new ATOM 0 HG2 ARG A 47 -5.949 7.152 3.303 1.00 54.55 H new ATOM 0 HG3 ARG A 47 -4.233 7.497 3.209 1.00 54.55 H new ATOM 0 HD2 ARG A 47 -5.594 9.611 1.831 1.00 33.44 H new ATOM 0 HD3 ARG A 47 -6.445 9.350 3.340 1.00 33.44 H new ATOM 0 HE ARG A 47 -4.598 10.149 4.533 1.00 2.22 H new ATOM 0 HH11 ARG A 47 -3.747 9.515 1.166 1.00 63.13 H new ATOM 0 HH12 ARG A 47 -2.172 10.306 1.294 1.00 63.13 H new ATOM 0 HH21 ARG A 47 -2.573 11.164 4.689 1.00 45.24 H new ATOM 0 HH22 ARG A 47 -1.510 11.235 3.279 1.00 45.24 H new ATOM 747 N ILE A 48 -6.828 5.447 -0.641 1.00 41.04 N ATOM 748 CA ILE A 48 -6.901 4.571 -1.804 1.00 64.50 C ATOM 749 C ILE A 48 -8.320 4.510 -2.359 1.00 4.13 C ATOM 750 O ILE A 48 -8.524 4.261 -3.547 1.00 23.42 O ATOM 751 CB ILE A 48 -6.434 3.144 -1.463 1.00 25.31 C ATOM 752 CG1 ILE A 48 -7.307 2.548 -0.358 1.00 70.44 C ATOM 753 CG2 ILE A 48 -4.971 3.151 -1.044 1.00 74.32 C ATOM 754 CD1 ILE A 48 -6.963 1.113 -0.022 1.00 52.33 C ATOM 0 H ILE A 48 -7.040 4.990 0.246 1.00 41.04 H new ATOM 0 HA ILE A 48 -6.237 4.992 -2.558 1.00 64.50 H new ATOM 0 HB ILE A 48 -6.534 2.523 -2.353 1.00 25.31 H new ATOM 0 HG12 ILE A 48 -7.207 3.157 0.541 1.00 70.44 H new ATOM 0 HG13 ILE A 48 -8.352 2.600 -0.664 1.00 70.44 H new ATOM 0 HG21 ILE A 48 -4.656 2.135 -0.806 1.00 74.32 H new ATOM 0 HG22 ILE A 48 -4.361 3.539 -1.860 1.00 74.32 H new ATOM 0 HG23 ILE A 48 -4.847 3.784 -0.166 1.00 74.32 H new ATOM 0 HD11 ILE A 48 -7.622 0.757 0.769 1.00 52.33 H new ATOM 0 HD12 ILE A 48 -7.090 0.491 -0.908 1.00 52.33 H new ATOM 0 HD13 ILE A 48 -5.928 1.056 0.315 1.00 52.33 H new ATOM 1035 N THR A 62 -0.853 17.022 19.177 1.00 64.42 N ATOM 1036 CA THR A 62 -0.348 18.263 19.748 1.00 41.41 C ATOM 1037 C THR A 62 0.306 18.018 21.104 1.00 43.24 C ATOM 1038 O THR A 62 0.155 16.948 21.691 1.00 71.20 O ATOM 1039 CB THR A 62 -1.472 19.303 19.914 1.00 40.24 C ATOM 1040 OG1 THR A 62 -2.472 19.109 18.908 1.00 1.20 O ATOM 1041 CG2 THR A 62 -0.918 20.718 19.819 1.00 35.40 C ATOM 0 HA THR A 62 0.397 18.651 19.053 1.00 41.41 H new ATOM 0 HB THR A 62 -1.918 19.169 20.899 1.00 40.24 H new ATOM 0 HG1 THR A 62 -3.357 19.082 19.328 1.00 1.20 H new ATOM 0 HG21 THR A 62 -1.730 21.435 19.939 1.00 35.40 H new ATOM 0 HG22 THR A 62 -0.178 20.873 20.604 1.00 35.40 H new ATOM 0 HG23 THR A 62 -0.449 20.861 18.845 1.00 35.40 H new ATOM 1049 N GLU A 63 1.033 19.018 21.594 1.00 3.12 N ATOM 1050 CA GLU A 63 1.710 18.909 22.880 1.00 13.13 C ATOM 1051 C GLU A 63 0.740 18.462 23.970 1.00 12.01 C ATOM 1052 O GLU A 63 1.091 17.661 24.836 1.00 11.21 O ATOM 1053 CB GLU A 63 2.343 20.249 23.264 1.00 73.42 C ATOM 1054 CG GLU A 63 3.652 20.109 24.021 1.00 1.54 C ATOM 1055 CD GLU A 63 4.853 20.520 23.190 1.00 75.31 C ATOM 1056 OE1 GLU A 63 4.902 20.155 21.997 1.00 31.43 O ATOM 1057 OE2 GLU A 63 5.743 21.207 23.734 1.00 33.43 O ATOM 0 H GLU A 63 1.168 19.911 21.120 1.00 3.12 H new ATOM 0 HA GLU A 63 2.495 18.158 22.786 1.00 13.13 H new ATOM 0 HB2 GLU A 63 2.517 20.832 22.359 1.00 73.42 H new ATOM 0 HB3 GLU A 63 1.638 20.812 23.875 1.00 73.42 H new ATOM 0 HG2 GLU A 63 3.613 20.720 24.923 1.00 1.54 H new ATOM 0 HG3 GLU A 63 3.773 19.074 24.341 1.00 1.54 H new ATOM 1064 N GLU A 64 -0.480 18.985 23.918 1.00 74.55 N ATOM 1065 CA GLU A 64 -1.501 18.640 24.901 1.00 32.12 C ATOM 1066 C GLU A 64 -2.060 17.244 24.639 1.00 44.21 C ATOM 1067 O GLU A 64 -2.278 16.468 25.568 1.00 74.34 O ATOM 1068 CB GLU A 64 -2.634 19.667 24.875 1.00 11.21 C ATOM 1069 CG GLU A 64 -3.179 20.009 26.251 1.00 14.24 C ATOM 1070 CD GLU A 64 -3.915 21.335 26.276 1.00 12.15 C ATOM 1071 OE1 GLU A 64 -3.718 22.139 25.341 1.00 72.34 O ATOM 1072 OE2 GLU A 64 -4.686 21.568 27.230 1.00 60.41 O ATOM 0 H GLU A 64 -0.786 19.649 23.207 1.00 74.55 H new ATOM 0 HA GLU A 64 -1.036 18.647 25.887 1.00 32.12 H new ATOM 0 HB2 GLU A 64 -2.275 20.579 24.399 1.00 11.21 H new ATOM 0 HB3 GLU A 64 -3.446 19.284 24.257 1.00 11.21 H new ATOM 0 HG2 GLU A 64 -3.854 19.217 26.577 1.00 14.24 H new ATOM 0 HG3 GLU A 64 -2.356 20.041 26.965 1.00 14.24 H new ATOM 1079 N GLU A 65 -2.288 16.933 23.367 1.00 43.41 N ATOM 1080 CA GLU A 65 -2.821 15.632 22.983 1.00 61.24 C ATOM 1081 C GLU A 65 -1.898 14.508 23.442 1.00 23.45 C ATOM 1082 O GLU A 65 -2.306 13.621 24.192 1.00 10.41 O ATOM 1083 CB GLU A 65 -3.015 15.563 21.467 1.00 24.24 C ATOM 1084 CG GLU A 65 -4.300 16.215 20.985 1.00 10.12 C ATOM 1085 CD GLU A 65 -4.468 17.628 21.508 1.00 12.44 C ATOM 1086 OE1 GLU A 65 -4.815 17.783 22.698 1.00 71.34 O ATOM 1087 OE2 GLU A 65 -4.251 18.578 20.728 1.00 52.43 O ATOM 0 H GLU A 65 -2.112 17.564 22.585 1.00 43.41 H new ATOM 0 HA GLU A 65 -3.787 15.505 23.471 1.00 61.24 H new ATOM 0 HB2 GLU A 65 -2.168 16.045 20.979 1.00 24.24 H new ATOM 0 HB3 GLU A 65 -3.009 14.518 21.156 1.00 24.24 H new ATOM 0 HG2 GLU A 65 -4.308 16.231 19.895 1.00 10.12 H new ATOM 0 HG3 GLU A 65 -5.150 15.611 21.301 1.00 10.12 H new ATOM 1094 N LEU A 66 -0.652 14.551 22.983 1.00 11.34 N ATOM 1095 CA LEU A 66 0.333 13.536 23.346 1.00 72.34 C ATOM 1096 C LEU A 66 0.444 13.402 24.861 1.00 44.50 C ATOM 1097 O LEU A 66 0.744 12.326 25.378 1.00 54.35 O ATOM 1098 CB LEU A 66 1.697 13.886 22.751 1.00 32.33 C ATOM 1099 CG LEU A 66 2.536 14.891 23.541 1.00 51.45 C ATOM 1100 CD1 LEU A 66 3.420 14.175 24.549 1.00 54.11 C ATOM 1101 CD2 LEU A 66 3.376 15.740 22.599 1.00 3.45 C ATOM 0 H LEU A 66 -0.299 15.277 22.359 1.00 11.34 H new ATOM 0 HA LEU A 66 0.001 12.581 22.940 1.00 72.34 H new ATOM 0 HB2 LEU A 66 2.272 12.966 22.646 1.00 32.33 H new ATOM 0 HB3 LEU A 66 1.542 14.282 21.747 1.00 32.33 H new ATOM 0 HG LEU A 66 1.860 15.549 24.087 1.00 51.45 H new ATOM 0 HD11 LEU A 66 4.009 14.907 25.101 1.00 54.11 H new ATOM 0 HD12 LEU A 66 2.797 13.612 25.244 1.00 54.11 H new ATOM 0 HD13 LEU A 66 4.089 13.492 24.026 1.00 54.11 H new ATOM 0 HD21 LEU A 66 3.967 16.450 23.178 1.00 3.45 H new ATOM 0 HD22 LEU A 66 4.042 15.096 22.025 1.00 3.45 H new ATOM 0 HD23 LEU A 66 2.721 16.284 21.918 1.00 3.45 H new ATOM 1113 N ALA A 67 0.198 14.500 25.567 1.00 51.33 N ATOM 1114 CA ALA A 67 0.267 14.506 27.023 1.00 31.54 C ATOM 1115 C ALA A 67 -1.005 13.927 27.634 1.00 31.31 C ATOM 1116 O ALA A 67 -0.987 13.395 28.745 1.00 23.30 O ATOM 1117 CB ALA A 67 0.506 15.917 27.536 1.00 61.34 C ATOM 0 H ALA A 67 -0.051 15.399 25.154 1.00 51.33 H new ATOM 0 HA ALA A 67 1.104 13.877 27.325 1.00 31.54 H new ATOM 0 HB1 ALA A 67 0.555 15.905 28.625 1.00 61.34 H new ATOM 0 HB2 ALA A 67 1.446 16.296 27.135 1.00 61.34 H new ATOM 0 HB3 ALA A 67 -0.311 16.564 27.217 1.00 61.34 H new ATOM 1123 N THR A 68 -2.110 14.033 26.902 1.00 30.10 N ATOM 1124 CA THR A 68 -3.391 13.523 27.373 1.00 23.43 C ATOM 1125 C THR A 68 -3.526 12.031 27.089 1.00 61.21 C ATOM 1126 O THR A 68 -4.048 11.278 27.912 1.00 3.02 O ATOM 1127 CB THR A 68 -4.569 14.267 26.716 1.00 13.33 C ATOM 1128 OG1 THR A 68 -4.433 15.677 26.923 1.00 44.43 O ATOM 1129 CG2 THR A 68 -5.895 13.791 27.286 1.00 55.13 C ATOM 0 H THR A 68 -2.143 14.468 25.980 1.00 30.10 H new ATOM 0 HA THR A 68 -3.421 13.690 28.450 1.00 23.43 H new ATOM 0 HB THR A 68 -4.555 14.054 25.647 1.00 13.33 H new ATOM 0 HG1 THR A 68 -3.738 16.029 26.329 1.00 44.43 H new ATOM 0 HG21 THR A 68 -6.712 14.331 26.807 1.00 55.13 H new ATOM 0 HG22 THR A 68 -6.008 12.723 27.101 1.00 55.13 H new ATOM 0 HG23 THR A 68 -5.918 13.978 28.360 1.00 55.13 H new ATOM 1137 N ILE A 69 -3.053 11.610 25.921 1.00 2.33 N ATOM 1138 CA ILE A 69 -3.120 10.208 25.530 1.00 2.52 C ATOM 1139 C ILE A 69 -2.324 9.331 26.491 1.00 60.31 C ATOM 1140 O ILE A 69 -2.734 8.216 26.814 1.00 1.23 O ATOM 1141 CB ILE A 69 -2.589 9.995 24.100 1.00 2.52 C ATOM 1142 CG1 ILE A 69 -2.648 8.513 23.726 1.00 4.43 C ATOM 1143 CG2 ILE A 69 -1.166 10.523 23.980 1.00 31.43 C ATOM 1144 CD1 ILE A 69 -2.149 8.224 22.327 1.00 21.32 C ATOM 0 H ILE A 69 -2.619 12.221 25.229 1.00 2.33 H new ATOM 0 HA ILE A 69 -4.171 9.921 25.565 1.00 2.52 H new ATOM 0 HB ILE A 69 -3.221 10.550 23.406 1.00 2.52 H new ATOM 0 HG12 ILE A 69 -2.055 7.942 24.440 1.00 4.43 H new ATOM 0 HG13 ILE A 69 -3.677 8.164 23.816 1.00 4.43 H new ATOM 0 HG21 ILE A 69 -0.804 10.366 22.964 1.00 31.43 H new ATOM 0 HG22 ILE A 69 -1.153 11.589 24.209 1.00 31.43 H new ATOM 0 HG23 ILE A 69 -0.521 9.993 24.681 1.00 31.43 H new ATOM 0 HD11 ILE A 69 -2.219 7.154 22.129 1.00 21.32 H new ATOM 0 HD12 ILE A 69 -2.758 8.767 21.604 1.00 21.32 H new ATOM 0 HD13 ILE A 69 -1.110 8.542 22.238 1.00 21.32 H new ATOM 1156 N ARG A 70 -1.185 9.843 26.946 1.00 3.10 N ATOM 1157 CA ARG A 70 -0.332 9.108 27.872 1.00 25.43 C ATOM 1158 C ARG A 70 -1.108 8.702 29.121 1.00 24.51 C ATOM 1159 O ARG A 70 -0.745 7.744 29.804 1.00 51.54 O ATOM 1160 CB ARG A 70 0.880 9.954 28.263 1.00 13.15 C ATOM 1161 CG ARG A 70 0.569 11.021 29.300 1.00 64.03 C ATOM 1162 CD ARG A 70 1.012 10.595 30.690 1.00 1.03 C ATOM 1163 NE ARG A 70 2.127 11.402 31.180 1.00 21.31 N ATOM 1164 CZ ARG A 70 2.915 11.034 32.184 1.00 20.53 C ATOM 1165 NH1 ARG A 70 2.712 9.878 32.801 1.00 61.41 N ATOM 1166 NH2 ARG A 70 3.908 11.823 32.573 1.00 22.44 N ATOM 0 H ARG A 70 -0.832 10.764 26.688 1.00 3.10 H new ATOM 0 HA ARG A 70 0.012 8.204 27.370 1.00 25.43 H new ATOM 0 HB2 ARG A 70 1.660 9.299 28.651 1.00 13.15 H new ATOM 0 HB3 ARG A 70 1.281 10.433 27.370 1.00 13.15 H new ATOM 0 HG2 ARG A 70 1.068 11.951 29.027 1.00 64.03 H new ATOM 0 HG3 ARG A 70 -0.502 11.224 29.305 1.00 64.03 H new ATOM 0 HD2 ARG A 70 0.172 10.680 31.380 1.00 1.03 H new ATOM 0 HD3 ARG A 70 1.305 9.545 30.671 1.00 1.03 H new ATOM 0 HE ARG A 70 2.310 12.297 30.726 1.00 21.31 H new ATOM 0 HH11 ARG A 70 1.949 9.269 32.505 1.00 61.41 H new ATOM 0 HH12 ARG A 70 3.319 9.598 33.572 1.00 61.41 H new ATOM 0 HH21 ARG A 70 4.067 12.713 32.101 1.00 22.44 H new ATOM 0 HH22 ARG A 70 4.513 11.539 33.344 1.00 22.44 H new ATOM 1180 N GLU A 71 -2.177 9.436 29.412 1.00 54.12 N ATOM 1181 CA GLU A 71 -3.002 9.153 30.580 1.00 72.12 C ATOM 1182 C GLU A 71 -3.455 7.696 30.587 1.00 5.30 C ATOM 1183 O GLU A 71 -3.640 7.095 31.646 1.00 32.11 O ATOM 1184 CB GLU A 71 -4.221 10.077 30.607 1.00 54.41 C ATOM 1185 CG GLU A 71 -3.870 11.542 30.800 1.00 43.54 C ATOM 1186 CD GLU A 71 -5.063 12.459 30.611 1.00 54.03 C ATOM 1187 OE1 GLU A 71 -6.133 11.962 30.200 1.00 72.34 O ATOM 1188 OE2 GLU A 71 -4.929 13.672 30.875 1.00 62.41 O ATOM 0 H GLU A 71 -2.492 10.231 28.855 1.00 54.12 H new ATOM 0 HA GLU A 71 -2.399 9.332 31.470 1.00 72.12 H new ATOM 0 HB2 GLU A 71 -4.773 9.964 29.674 1.00 54.41 H new ATOM 0 HB3 GLU A 71 -4.887 9.763 31.411 1.00 54.41 H new ATOM 0 HG2 GLU A 71 -3.462 11.685 31.801 1.00 43.54 H new ATOM 0 HG3 GLU A 71 -3.088 11.820 30.094 1.00 43.54 H new ATOM 1195 N LEU A 72 -3.632 7.133 29.396 1.00 62.33 N ATOM 1196 CA LEU A 72 -4.064 5.746 29.262 1.00 74.34 C ATOM 1197 C LEU A 72 -3.154 4.814 30.056 1.00 41.13 C ATOM 1198 O LEU A 72 -3.546 3.702 30.411 1.00 42.02 O ATOM 1199 CB LEU A 72 -4.075 5.335 27.789 1.00 33.51 C ATOM 1200 CG LEU A 72 -2.771 4.751 27.245 1.00 41.20 C ATOM 1201 CD1 LEU A 72 -1.602 5.670 27.563 1.00 44.35 C ATOM 1202 CD2 LEU A 72 -2.529 3.362 27.817 1.00 62.54 C ATOM 0 H LEU A 72 -3.483 7.616 28.510 1.00 62.33 H new ATOM 0 HA LEU A 72 -5.075 5.665 29.662 1.00 74.34 H new ATOM 0 HB2 LEU A 72 -4.867 4.601 27.643 1.00 33.51 H new ATOM 0 HB3 LEU A 72 -4.336 6.208 27.191 1.00 33.51 H new ATOM 0 HG LEU A 72 -2.857 4.666 26.162 1.00 41.20 H new ATOM 0 HD11 LEU A 72 -0.682 5.238 27.168 1.00 44.35 H new ATOM 0 HD12 LEU A 72 -1.771 6.645 27.106 1.00 44.35 H new ATOM 0 HD13 LEU A 72 -1.514 5.786 28.643 1.00 44.35 H new ATOM 0 HD21 LEU A 72 -1.597 2.962 27.419 1.00 62.54 H new ATOM 0 HD22 LEU A 72 -2.463 3.422 28.903 1.00 62.54 H new ATOM 0 HD23 LEU A 72 -3.353 2.705 27.539 1.00 62.54 H new ATOM 1214 N TYR A 73 -1.940 5.275 30.332 1.00 4.24 N ATOM 1215 CA TYR A 73 -0.974 4.482 31.083 1.00 14.21 C ATOM 1216 C TYR A 73 -1.278 4.526 32.577 1.00 14.40 C ATOM 1217 O TYR A 73 -1.089 3.541 33.292 1.00 2.30 O ATOM 1218 CB TYR A 73 0.445 4.991 30.825 1.00 23.12 C ATOM 1219 CG TYR A 73 1.443 3.888 30.552 1.00 2.13 C ATOM 1220 CD1 TYR A 73 1.482 2.747 31.344 1.00 53.32 C ATOM 1221 CD2 TYR A 73 2.347 3.986 29.502 1.00 1.35 C ATOM 1222 CE1 TYR A 73 2.392 1.737 31.099 1.00 30.30 C ATOM 1223 CE2 TYR A 73 3.259 2.980 29.248 1.00 2.21 C ATOM 1224 CZ TYR A 73 3.278 1.859 30.049 1.00 33.41 C ATOM 1225 OH TYR A 73 4.187 0.855 29.801 1.00 21.51 O ATOM 0 H TYR A 73 -1.601 6.194 30.047 1.00 4.24 H new ATOM 0 HA TYR A 73 -1.049 3.448 30.745 1.00 14.21 H new ATOM 0 HB2 TYR A 73 0.428 5.673 29.975 1.00 23.12 H new ATOM 0 HB3 TYR A 73 0.779 5.566 31.689 1.00 23.12 H new ATOM 0 HD1 TYR A 73 0.788 2.648 32.166 1.00 53.32 H new ATOM 0 HD2 TYR A 73 2.337 4.864 28.873 1.00 1.35 H new ATOM 0 HE1 TYR A 73 2.410 0.858 31.726 1.00 30.30 H new ATOM 0 HE2 TYR A 73 3.953 3.072 28.426 1.00 2.21 H new ATOM 0 HH TYR A 73 4.737 1.096 29.026 1.00 21.51 H new ATOM 1235 N LEU A 74 -1.751 5.676 33.044 1.00 50.25 N ATOM 1236 CA LEU A 74 -2.083 5.852 34.454 1.00 70.23 C ATOM 1237 C LEU A 74 -3.361 5.097 34.810 1.00 13.14 C ATOM 1238 O LEU A 74 -3.426 4.414 35.832 1.00 60.32 O ATOM 1239 CB LEU A 74 -2.248 7.337 34.779 1.00 52.20 C ATOM 1240 CG LEU A 74 -0.962 8.166 34.800 1.00 71.33 C ATOM 1241 CD1 LEU A 74 0.082 7.509 35.690 1.00 63.54 C ATOM 1242 CD2 LEU A 74 -0.424 8.350 33.389 1.00 31.13 C ATOM 0 H LEU A 74 -1.913 6.501 32.467 1.00 50.25 H new ATOM 0 HA LEU A 74 -1.264 5.446 35.048 1.00 70.23 H new ATOM 0 HB2 LEU A 74 -2.927 7.775 34.048 1.00 52.20 H new ATOM 0 HB3 LEU A 74 -2.729 7.424 35.753 1.00 52.20 H new ATOM 0 HG LEU A 74 -1.192 9.149 35.211 1.00 71.33 H new ATOM 0 HD11 LEU A 74 0.990 8.113 35.693 1.00 63.54 H new ATOM 0 HD12 LEU A 74 -0.304 7.430 36.706 1.00 63.54 H new ATOM 0 HD13 LEU A 74 0.310 6.513 35.310 1.00 63.54 H new ATOM 0 HD21 LEU A 74 0.491 8.942 33.423 1.00 31.13 H new ATOM 0 HD22 LEU A 74 -0.209 7.375 32.951 1.00 31.13 H new ATOM 0 HD23 LEU A 74 -1.167 8.865 32.781 1.00 31.13 H new ATOM 1254 N LYS A 75 -4.373 5.224 33.960 1.00 74.03 N ATOM 1255 CA LYS A 75 -5.648 4.553 34.181 1.00 74.21 C ATOM 1256 C LYS A 75 -5.607 3.120 33.659 1.00 13.15 C ATOM 1257 O LYS A 75 -6.410 2.280 34.060 1.00 34.52 O ATOM 1258 CB LYS A 75 -6.781 5.323 33.498 1.00 4.22 C ATOM 1259 CG LYS A 75 -6.738 6.820 33.753 1.00 13.32 C ATOM 1260 CD LYS A 75 -8.096 7.462 33.526 1.00 74.14 C ATOM 1261 CE LYS A 75 -8.196 8.080 32.139 1.00 21.32 C ATOM 1262 NZ LYS A 75 -9.030 9.313 32.139 1.00 32.35 N ATOM 0 H LYS A 75 -4.335 5.787 33.110 1.00 74.03 H new ATOM 0 HA LYS A 75 -5.832 4.525 35.255 1.00 74.21 H new ATOM 0 HB2 LYS A 75 -6.735 5.144 32.424 1.00 4.22 H new ATOM 0 HB3 LYS A 75 -7.737 4.931 33.845 1.00 4.22 H new ATOM 0 HG2 LYS A 75 -6.412 7.007 34.776 1.00 13.32 H new ATOM 0 HG3 LYS A 75 -6.002 7.281 33.095 1.00 13.32 H new ATOM 0 HD2 LYS A 75 -8.879 6.713 33.649 1.00 74.14 H new ATOM 0 HD3 LYS A 75 -8.267 8.230 34.281 1.00 74.14 H new ATOM 0 HE2 LYS A 75 -7.197 8.318 31.775 1.00 21.32 H new ATOM 0 HE3 LYS A 75 -8.623 7.353 31.448 1.00 21.32 H new ATOM 0 HZ1 LYS A 75 -9.299 9.550 31.163 1.00 32.35 H new ATOM 0 HZ2 LYS A 75 -9.888 9.152 32.705 1.00 32.35 H new ATOM 0 HZ3 LYS A 75 -8.487 10.099 32.549 1.00 32.35 H new ATOM 1276 N GLY A 76 -4.662 2.849 32.763 1.00 72.33 N ATOM 1277 CA GLY A 76 -4.533 1.516 32.203 1.00 45.35 C ATOM 1278 C GLY A 76 -5.473 1.284 31.036 1.00 42.54 C ATOM 1279 O GLY A 76 -5.694 0.146 30.626 1.00 64.15 O ATOM 0 H GLY A 76 -3.985 3.528 32.416 1.00 72.33 H new ATOM 0 HA2 GLY A 76 -3.505 1.361 31.874 1.00 45.35 H new ATOM 0 HA3 GLY A 76 -4.734 0.778 32.980 1.00 45.35 H new ATOM 1283 N ALA A 77 -6.029 2.367 30.502 1.00 30.02 N ATOM 1284 CA ALA A 77 -6.949 2.276 29.375 1.00 61.12 C ATOM 1285 C ALA A 77 -6.281 1.619 28.171 1.00 53.43 C ATOM 1286 O ALA A 77 -5.074 1.373 28.175 1.00 71.23 O ATOM 1287 CB ALA A 77 -7.468 3.658 29.004 1.00 14.33 C ATOM 0 H ALA A 77 -5.858 3.317 30.832 1.00 30.02 H new ATOM 0 HA ALA A 77 -7.791 1.652 29.675 1.00 61.12 H new ATOM 0 HB1 ALA A 77 -8.154 3.575 28.161 1.00 14.33 H new ATOM 0 HB2 ALA A 77 -7.992 4.091 29.856 1.00 14.33 H new ATOM 0 HB3 ALA A 77 -6.631 4.299 28.729 1.00 14.33 H new ATOM 1293 N THR A 78 -7.073 1.338 27.142 1.00 62.13 N ATOM 1294 CA THR A 78 -6.559 0.708 25.932 1.00 75.04 C ATOM 1295 C THR A 78 -6.538 1.691 24.767 1.00 51.43 C ATOM 1296 O THR A 78 -7.102 2.783 24.852 1.00 72.41 O ATOM 1297 CB THR A 78 -7.400 -0.520 25.538 1.00 23.41 C ATOM 1298 OG1 THR A 78 -8.740 -0.119 25.233 1.00 24.31 O ATOM 1299 CG2 THR A 78 -7.416 -1.548 26.660 1.00 24.31 C ATOM 0 H THR A 78 -8.073 1.537 27.122 1.00 62.13 H new ATOM 0 HA THR A 78 -5.541 0.387 26.151 1.00 75.04 H new ATOM 0 HB THR A 78 -6.948 -0.974 24.657 1.00 23.41 H new ATOM 0 HG1 THR A 78 -9.268 -0.906 24.982 1.00 24.31 H new ATOM 0 HG21 THR A 78 -8.016 -2.406 26.358 1.00 24.31 H new ATOM 0 HG22 THR A 78 -6.397 -1.873 26.870 1.00 24.31 H new ATOM 0 HG23 THR A 78 -7.846 -1.101 27.556 1.00 24.31 H new ATOM 1307 N VAL A 79 -5.885 1.297 23.678 1.00 14.40 N ATOM 1308 CA VAL A 79 -5.793 2.144 22.495 1.00 22.22 C ATOM 1309 C VAL A 79 -7.176 2.554 22.003 1.00 45.11 C ATOM 1310 O VAL A 79 -7.344 3.617 21.405 1.00 55.12 O ATOM 1311 CB VAL A 79 -5.044 1.431 21.353 1.00 65.31 C ATOM 1312 CG1 VAL A 79 -4.818 2.380 20.187 1.00 43.43 C ATOM 1313 CG2 VAL A 79 -3.724 0.864 21.853 1.00 31.53 C ATOM 0 H VAL A 79 -5.412 0.397 23.591 1.00 14.40 H new ATOM 0 HA VAL A 79 -5.236 3.035 22.785 1.00 22.22 H new ATOM 0 HB VAL A 79 -5.659 0.603 21.002 1.00 65.31 H new ATOM 0 HG11 VAL A 79 -4.288 1.858 19.391 1.00 43.43 H new ATOM 0 HG12 VAL A 79 -5.779 2.732 19.813 1.00 43.43 H new ATOM 0 HG13 VAL A 79 -4.225 3.231 20.521 1.00 43.43 H new ATOM 0 HG21 VAL A 79 -3.209 0.364 21.033 1.00 31.53 H new ATOM 0 HG22 VAL A 79 -3.101 1.674 22.233 1.00 31.53 H new ATOM 0 HG23 VAL A 79 -3.915 0.148 22.652 1.00 31.53 H new ATOM 1323 N TYR A 80 -8.164 1.704 22.258 1.00 40.03 N ATOM 1324 CA TYR A 80 -9.534 1.977 21.839 1.00 75.30 C ATOM 1325 C TYR A 80 -10.161 3.068 22.702 1.00 13.35 C ATOM 1326 O TYR A 80 -11.079 3.764 22.272 1.00 22.10 O ATOM 1327 CB TYR A 80 -10.378 0.703 21.918 1.00 4.25 C ATOM 1328 CG TYR A 80 -11.759 0.854 21.322 1.00 31.23 C ATOM 1329 CD1 TYR A 80 -11.961 0.750 19.951 1.00 53.34 C ATOM 1330 CD2 TYR A 80 -12.862 1.101 22.130 1.00 73.42 C ATOM 1331 CE1 TYR A 80 -13.222 0.888 19.403 1.00 5.50 C ATOM 1332 CE2 TYR A 80 -14.126 1.238 21.590 1.00 50.53 C ATOM 1333 CZ TYR A 80 -14.301 1.132 20.227 1.00 24.34 C ATOM 1334 OH TYR A 80 -15.558 1.269 19.685 1.00 60.54 O ATOM 0 H TYR A 80 -8.042 0.820 22.753 1.00 40.03 H new ATOM 0 HA TYR A 80 -9.508 2.325 20.806 1.00 75.30 H new ATOM 0 HB2 TYR A 80 -9.855 -0.102 21.402 1.00 4.25 H new ATOM 0 HB3 TYR A 80 -10.473 0.404 22.962 1.00 4.25 H new ATOM 0 HD1 TYR A 80 -11.118 0.558 19.303 1.00 53.34 H new ATOM 0 HD2 TYR A 80 -12.729 1.187 23.198 1.00 73.42 H new ATOM 0 HE1 TYR A 80 -13.362 0.805 18.335 1.00 5.50 H new ATOM 0 HE2 TYR A 80 -14.973 1.427 22.233 1.00 50.53 H new ATOM 0 HH TYR A 80 -16.206 1.436 20.401 1.00 60.54 H new ATOM 1344 N GLU A 81 -9.654 3.211 23.923 1.00 32.11 N ATOM 1345 CA GLU A 81 -10.164 4.217 24.848 1.00 4.34 C ATOM 1346 C GLU A 81 -9.700 5.613 24.442 1.00 55.14 C ATOM 1347 O GLU A 81 -10.512 6.523 24.274 1.00 70.10 O ATOM 1348 CB GLU A 81 -9.705 3.910 26.275 1.00 3.15 C ATOM 1349 CG GLU A 81 -10.367 2.682 26.877 1.00 63.13 C ATOM 1350 CD GLU A 81 -11.759 2.970 27.404 1.00 54.40 C ATOM 1351 OE1 GLU A 81 -12.100 4.161 27.561 1.00 15.11 O ATOM 1352 OE2 GLU A 81 -12.507 2.004 27.661 1.00 23.25 O ATOM 0 H GLU A 81 -8.892 2.644 24.294 1.00 32.11 H new ATOM 0 HA GLU A 81 -11.253 4.189 24.811 1.00 4.34 H new ATOM 0 HB2 GLU A 81 -8.624 3.768 26.277 1.00 3.15 H new ATOM 0 HB3 GLU A 81 -9.914 4.772 26.908 1.00 3.15 H new ATOM 0 HG2 GLU A 81 -10.423 1.897 26.123 1.00 63.13 H new ATOM 0 HG3 GLU A 81 -9.747 2.300 27.688 1.00 63.13 H new ATOM 1359 N ILE A 82 -8.390 5.773 24.287 1.00 51.02 N ATOM 1360 CA ILE A 82 -7.819 7.057 23.901 1.00 1.22 C ATOM 1361 C ILE A 82 -8.466 7.586 22.625 1.00 73.11 C ATOM 1362 O ILE A 82 -8.583 8.795 22.432 1.00 43.54 O ATOM 1363 CB ILE A 82 -6.298 6.954 23.686 1.00 2.23 C ATOM 1364 CG1 ILE A 82 -5.967 5.758 22.791 1.00 13.44 C ATOM 1365 CG2 ILE A 82 -5.581 6.837 25.023 1.00 12.22 C ATOM 1366 CD1 ILE A 82 -4.506 5.678 22.406 1.00 33.22 C ATOM 0 H ILE A 82 -7.705 5.030 24.423 1.00 51.02 H new ATOM 0 HA ILE A 82 -8.017 7.749 24.720 1.00 1.22 H new ATOM 0 HB ILE A 82 -5.954 7.861 23.189 1.00 2.23 H new ATOM 0 HG12 ILE A 82 -6.250 4.840 23.306 1.00 13.44 H new ATOM 0 HG13 ILE A 82 -6.571 5.814 21.885 1.00 13.44 H new ATOM 0 HG21 ILE A 82 -4.507 6.765 24.855 1.00 12.22 H new ATOM 0 HG22 ILE A 82 -5.795 7.717 25.629 1.00 12.22 H new ATOM 0 HG23 ILE A 82 -5.927 5.945 25.545 1.00 12.22 H new ATOM 0 HD11 ILE A 82 -4.344 4.806 21.772 1.00 33.22 H new ATOM 0 HD12 ILE A 82 -4.223 6.580 21.863 1.00 33.22 H new ATOM 0 HD13 ILE A 82 -3.897 5.590 23.306 1.00 33.22 H new ATOM 1378 N ALA A 83 -8.888 6.670 21.760 1.00 4.15 N ATOM 1379 CA ALA A 83 -9.528 7.043 20.504 1.00 44.20 C ATOM 1380 C ALA A 83 -10.836 7.786 20.754 1.00 22.40 C ATOM 1381 O ALA A 83 -11.062 8.865 20.207 1.00 63.23 O ATOM 1382 CB ALA A 83 -9.774 5.809 19.650 1.00 21.13 C ATOM 0 H ALA A 83 -8.798 5.664 21.906 1.00 4.15 H new ATOM 0 HA ALA A 83 -8.857 7.714 19.968 1.00 44.20 H new ATOM 0 HB1 ALA A 83 -10.252 6.103 18.716 1.00 21.13 H new ATOM 0 HB2 ALA A 83 -8.824 5.321 19.434 1.00 21.13 H new ATOM 0 HB3 ALA A 83 -10.423 5.118 20.188 1.00 21.13 H new ATOM 1388 N ARG A 84 -11.694 7.200 21.583 1.00 44.45 N ATOM 1389 CA ARG A 84 -12.981 7.807 21.903 1.00 31.21 C ATOM 1390 C ARG A 84 -12.801 9.007 22.827 1.00 75.32 C ATOM 1391 O ARG A 84 -13.427 10.049 22.635 1.00 43.42 O ATOM 1392 CB ARG A 84 -13.903 6.777 22.560 1.00 42.41 C ATOM 1393 CG ARG A 84 -14.872 6.122 21.590 1.00 63.35 C ATOM 1394 CD ARG A 84 -15.688 5.032 22.267 1.00 11.03 C ATOM 1395 NE ARG A 84 -17.111 5.357 22.307 1.00 34.12 N ATOM 1396 CZ ARG A 84 -17.986 4.729 23.083 1.00 75.21 C ATOM 1397 NH1 ARG A 84 -17.586 3.748 23.881 1.00 74.31 N ATOM 1398 NH2 ARG A 84 -19.265 5.082 23.064 1.00 74.02 N ATOM 0 H ARG A 84 -11.522 6.307 22.045 1.00 44.45 H new ATOM 0 HA ARG A 84 -13.435 8.151 20.974 1.00 31.21 H new ATOM 0 HB2 ARG A 84 -13.294 6.004 23.030 1.00 42.41 H new ATOM 0 HB3 ARG A 84 -14.470 7.263 23.354 1.00 42.41 H new ATOM 0 HG2 ARG A 84 -15.542 6.877 21.178 1.00 63.35 H new ATOM 0 HG3 ARG A 84 -14.318 5.697 20.753 1.00 63.35 H new ATOM 0 HD2 ARG A 84 -15.546 4.091 21.736 1.00 11.03 H new ATOM 0 HD3 ARG A 84 -15.322 4.883 23.283 1.00 11.03 H new ATOM 0 HE ARG A 84 -17.451 6.108 21.706 1.00 34.12 H new ATOM 0 HH11 ARG A 84 -16.604 3.474 23.900 1.00 74.31 H new ATOM 0 HH12 ARG A 84 -18.261 3.267 24.476 1.00 74.31 H new ATOM 0 HH21 ARG A 84 -19.577 5.837 22.453 1.00 74.02 H new ATOM 0 HH22 ARG A 84 -19.936 4.599 23.661 1.00 74.02 H new ATOM 1412 N GLN A 85 -11.943 8.851 23.831 1.00 50.35 N ATOM 1413 CA GLN A 85 -11.683 9.923 24.786 1.00 31.31 C ATOM 1414 C GLN A 85 -11.276 11.205 24.067 1.00 73.24 C ATOM 1415 O GLN A 85 -11.897 12.254 24.247 1.00 1.44 O ATOM 1416 CB GLN A 85 -10.588 9.505 25.768 1.00 21.10 C ATOM 1417 CG GLN A 85 -10.358 10.507 26.887 1.00 54.14 C ATOM 1418 CD GLN A 85 -9.398 9.995 27.942 1.00 21.23 C ATOM 1419 OE1 GLN A 85 -9.762 9.844 29.109 1.00 65.31 O ATOM 1420 NE2 GLN A 85 -8.162 9.724 27.537 1.00 72.13 N ATOM 0 H GLN A 85 -11.417 7.994 24.004 1.00 50.35 H new ATOM 0 HA GLN A 85 -12.603 10.114 25.339 1.00 31.31 H new ATOM 0 HB2 GLN A 85 -10.851 8.541 26.203 1.00 21.10 H new ATOM 0 HB3 GLN A 85 -9.656 9.364 25.221 1.00 21.10 H new ATOM 0 HG2 GLN A 85 -9.968 11.433 26.465 1.00 54.14 H new ATOM 0 HG3 GLN A 85 -11.312 10.747 27.356 1.00 54.14 H new ATOM 0 HE21 GLN A 85 -7.903 9.864 26.560 1.00 72.13 H new ATOM 0 HE22 GLN A 85 -7.472 9.376 28.203 1.00 72.13 H new ATOM 1429 N LEU A 86 -10.230 11.115 23.253 1.00 74.43 N ATOM 1430 CA LEU A 86 -9.740 12.268 22.507 1.00 14.52 C ATOM 1431 C LEU A 86 -10.541 12.468 21.225 1.00 43.13 C ATOM 1432 O LEU A 86 -10.376 13.468 20.527 1.00 4.53 O ATOM 1433 CB LEU A 86 -8.258 12.091 22.172 1.00 13.51 C ATOM 1434 CG LEU A 86 -7.269 12.720 23.154 1.00 12.43 C ATOM 1435 CD1 LEU A 86 -7.498 14.220 23.255 1.00 14.14 C ATOM 1436 CD2 LEU A 86 -7.387 12.067 24.523 1.00 34.03 C ATOM 0 H LEU A 86 -9.705 10.255 23.093 1.00 74.43 H new ATOM 0 HA LEU A 86 -9.863 13.152 23.132 1.00 14.52 H new ATOM 0 HB2 LEU A 86 -8.046 11.024 22.107 1.00 13.51 H new ATOM 0 HB3 LEU A 86 -8.076 12.513 21.184 1.00 13.51 H new ATOM 0 HG LEU A 86 -6.259 12.552 22.780 1.00 12.43 H new ATOM 0 HD11 LEU A 86 -6.785 14.650 23.958 1.00 14.14 H new ATOM 0 HD12 LEU A 86 -7.361 14.676 22.274 1.00 14.14 H new ATOM 0 HD13 LEU A 86 -8.513 14.410 23.605 1.00 14.14 H new ATOM 0 HD21 LEU A 86 -6.676 12.528 25.208 1.00 34.03 H new ATOM 0 HD22 LEU A 86 -8.399 12.203 24.905 1.00 34.03 H new ATOM 0 HD23 LEU A 86 -7.171 11.002 24.438 1.00 34.03 H new ATOM 1448 N GLY A 87 -11.413 11.512 20.922 1.00 22.54 N ATOM 1449 CA GLY A 87 -12.230 11.602 19.726 1.00 44.50 C ATOM 1450 C GLY A 87 -11.407 11.523 18.455 1.00 15.31 C ATOM 1451 O GLY A 87 -11.838 11.985 17.399 1.00 2.22 O ATOM 0 H GLY A 87 -11.569 10.675 21.484 1.00 22.54 H new ATOM 0 HA2 GLY A 87 -12.965 10.797 19.730 1.00 44.50 H new ATOM 0 HA3 GLY A 87 -12.785 12.540 19.738 1.00 44.50 H new ATOM 1455 N ARG A 88 -10.219 10.936 18.557 1.00 60.12 N ATOM 1456 CA ARG A 88 -9.332 10.800 17.408 1.00 61.12 C ATOM 1457 C ARG A 88 -9.938 9.869 16.362 1.00 41.51 C ATOM 1458 O ARG A 88 -10.798 9.039 16.657 1.00 74.02 O ATOM 1459 CB ARG A 88 -7.968 10.269 17.850 1.00 4.43 C ATOM 1460 CG ARG A 88 -7.121 11.298 18.580 1.00 52.35 C ATOM 1461 CD ARG A 88 -6.815 12.498 17.696 1.00 60.30 C ATOM 1462 NE ARG A 88 -7.794 13.567 17.868 1.00 44.42 N ATOM 1463 CZ ARG A 88 -7.996 14.529 16.974 1.00 24.12 C ATOM 1464 NH1 ARG A 88 -7.292 14.553 15.851 1.00 63.12 N ATOM 1465 NH2 ARG A 88 -8.905 15.468 17.201 1.00 50.33 N ATOM 0 H ARG A 88 -9.848 10.547 19.424 1.00 60.12 H new ATOM 0 HA ARG A 88 -9.203 11.786 16.961 1.00 61.12 H new ATOM 0 HB2 ARG A 88 -8.117 9.406 18.500 1.00 4.43 H new ATOM 0 HB3 ARG A 88 -7.423 9.918 16.974 1.00 4.43 H new ATOM 0 HG2 ARG A 88 -7.643 11.630 19.477 1.00 52.35 H new ATOM 0 HG3 ARG A 88 -6.188 10.838 18.906 1.00 52.35 H new ATOM 0 HD2 ARG A 88 -5.820 12.876 17.930 1.00 60.30 H new ATOM 0 HD3 ARG A 88 -6.800 12.185 16.652 1.00 60.30 H new ATOM 0 HE ARG A 88 -8.353 13.576 18.721 1.00 44.42 H new ATOM 0 HH11 ARG A 88 -6.593 13.832 15.672 1.00 63.12 H new ATOM 0 HH12 ARG A 88 -7.449 15.293 15.166 1.00 63.12 H new ATOM 0 HH21 ARG A 88 -9.450 15.452 18.063 1.00 50.33 H new ATOM 0 HH22 ARG A 88 -9.059 16.206 16.514 1.00 50.33 H new ATOM 1479 N PRO A 89 -9.480 10.009 15.108 1.00 72.24 N ATOM 1480 CA PRO A 89 -9.963 9.189 13.993 1.00 52.13 C ATOM 1481 C PRO A 89 -9.509 7.737 14.101 1.00 50.34 C ATOM 1482 O PRO A 89 -9.775 6.928 13.214 1.00 12.43 O ATOM 1483 CB PRO A 89 -9.337 9.856 12.766 1.00 20.03 C ATOM 1484 CG PRO A 89 -8.119 10.538 13.286 1.00 53.44 C ATOM 1485 CD PRO A 89 -8.456 10.978 14.684 1.00 72.13 C ATOM 0 HA PRO A 89 -11.052 9.144 13.962 1.00 52.13 H new ATOM 0 HB2 PRO A 89 -9.084 9.121 12.002 1.00 20.03 H new ATOM 0 HB3 PRO A 89 -10.024 10.568 12.308 1.00 20.03 H new ATOM 0 HG2 PRO A 89 -7.263 9.863 13.285 1.00 53.44 H new ATOM 0 HG3 PRO A 89 -7.853 11.391 12.662 1.00 53.44 H new ATOM 0 HD2 PRO A 89 -7.583 10.951 15.336 1.00 72.13 H new ATOM 0 HD3 PRO A 89 -8.836 11.999 14.703 1.00 72.13 H new ATOM 1493 N GLU A 90 -8.825 7.417 15.195 1.00 3.44 N ATOM 1494 CA GLU A 90 -8.334 6.062 15.417 1.00 3.04 C ATOM 1495 C GLU A 90 -7.118 5.773 14.541 1.00 44.03 C ATOM 1496 O GLU A 90 -6.038 5.459 15.042 1.00 32.00 O ATOM 1497 CB GLU A 90 -9.437 5.042 15.130 1.00 61.35 C ATOM 1498 CG GLU A 90 -10.802 5.459 15.650 1.00 52.23 C ATOM 1499 CD GLU A 90 -11.536 4.325 16.338 1.00 35.55 C ATOM 1500 OE1 GLU A 90 -10.895 3.595 17.124 1.00 34.55 O ATOM 1501 OE2 GLU A 90 -12.749 4.165 16.091 1.00 55.34 O ATOM 0 H GLU A 90 -8.599 8.076 15.940 1.00 3.44 H new ATOM 0 HA GLU A 90 -8.035 5.979 16.462 1.00 3.04 H new ATOM 0 HB2 GLU A 90 -9.501 4.882 14.054 1.00 61.35 H new ATOM 0 HB3 GLU A 90 -9.163 4.087 15.579 1.00 61.35 H new ATOM 0 HG2 GLU A 90 -10.683 6.287 16.349 1.00 52.23 H new ATOM 0 HG3 GLU A 90 -11.406 5.827 14.820 1.00 52.23 H new ATOM 1508 N SER A 91 -7.302 5.880 13.229 1.00 33.10 N ATOM 1509 CA SER A 91 -6.223 5.627 12.282 1.00 60.20 C ATOM 1510 C SER A 91 -4.965 6.395 12.674 1.00 30.12 C ATOM 1511 O SER A 91 -3.845 5.945 12.427 1.00 63.13 O ATOM 1512 CB SER A 91 -6.655 6.020 10.868 1.00 2.03 C ATOM 1513 OG SER A 91 -5.546 6.046 9.985 1.00 15.12 O ATOM 0 H SER A 91 -8.189 6.140 12.798 1.00 33.10 H new ATOM 0 HA SER A 91 -5.997 4.561 12.302 1.00 60.20 H new ATOM 0 HB2 SER A 91 -7.399 5.313 10.502 1.00 2.03 H new ATOM 0 HB3 SER A 91 -7.130 7.001 10.889 1.00 2.03 H new ATOM 0 HG SER A 91 -5.757 5.529 9.180 1.00 15.12 H new ATOM 1519 N THR A 92 -5.156 7.559 13.288 1.00 24.53 N ATOM 1520 CA THR A 92 -4.038 8.391 13.714 1.00 72.44 C ATOM 1521 C THR A 92 -3.313 7.771 14.903 1.00 5.14 C ATOM 1522 O THR A 92 -2.083 7.714 14.930 1.00 1.32 O ATOM 1523 CB THR A 92 -4.507 9.808 14.094 1.00 1.22 C ATOM 1524 OG1 THR A 92 -5.101 10.449 12.960 1.00 24.33 O ATOM 1525 CG2 THR A 92 -3.342 10.645 14.603 1.00 25.43 C ATOM 0 H THR A 92 -6.075 7.947 13.501 1.00 24.53 H new ATOM 0 HA THR A 92 -3.352 8.457 12.869 1.00 72.44 H new ATOM 0 HB THR A 92 -5.247 9.720 14.890 1.00 1.22 H new ATOM 0 HG1 THR A 92 -5.398 11.349 13.211 1.00 24.33 H new ATOM 0 HG21 THR A 92 -3.697 11.642 14.865 1.00 25.43 H new ATOM 0 HG22 THR A 92 -2.910 10.170 15.484 1.00 25.43 H new ATOM 0 HG23 THR A 92 -2.583 10.724 13.825 1.00 25.43 H new ATOM 1533 N ILE A 93 -4.081 7.308 15.883 1.00 62.51 N ATOM 1534 CA ILE A 93 -3.511 6.691 17.073 1.00 1.00 C ATOM 1535 C ILE A 93 -2.511 5.601 16.702 1.00 22.34 C ATOM 1536 O ILE A 93 -1.390 5.573 17.208 1.00 12.33 O ATOM 1537 CB ILE A 93 -4.604 6.084 17.972 1.00 51.15 C ATOM 1538 CG1 ILE A 93 -5.585 7.169 18.423 1.00 13.54 C ATOM 1539 CG2 ILE A 93 -3.979 5.394 19.175 1.00 51.33 C ATOM 1540 CD1 ILE A 93 -4.969 8.188 19.357 1.00 31.33 C ATOM 0 H ILE A 93 -5.100 7.349 15.876 1.00 62.51 H new ATOM 0 HA ILE A 93 -2.998 7.481 17.622 1.00 1.00 H new ATOM 0 HB ILE A 93 -5.154 5.339 17.397 1.00 51.15 H new ATOM 0 HG12 ILE A 93 -5.976 7.682 17.545 1.00 13.54 H new ATOM 0 HG13 ILE A 93 -6.433 6.698 18.920 1.00 13.54 H new ATOM 0 HG21 ILE A 93 -4.765 4.970 19.800 1.00 51.33 H new ATOM 0 HG22 ILE A 93 -3.317 4.598 18.834 1.00 51.33 H new ATOM 0 HG23 ILE A 93 -3.406 6.119 19.753 1.00 51.33 H new ATOM 0 HD11 ILE A 93 -5.720 8.927 19.636 1.00 31.33 H new ATOM 0 HD12 ILE A 93 -4.603 7.686 20.253 1.00 31.33 H new ATOM 0 HD13 ILE A 93 -4.139 8.686 18.856 1.00 31.33 H new ATOM 1552 N TYR A 94 -2.925 4.704 15.813 1.00 14.34 N ATOM 1553 CA TYR A 94 -2.066 3.611 15.373 1.00 33.34 C ATOM 1554 C TYR A 94 -0.738 4.141 14.841 1.00 73.23 C ATOM 1555 O TYR A 94 0.323 3.587 15.125 1.00 13.05 O ATOM 1556 CB TYR A 94 -2.769 2.785 14.295 1.00 31.01 C ATOM 1557 CG TYR A 94 -3.321 1.472 14.801 1.00 21.04 C ATOM 1558 CD1 TYR A 94 -2.476 0.418 15.126 1.00 12.44 C ATOM 1559 CD2 TYR A 94 -4.689 1.284 14.954 1.00 75.42 C ATOM 1560 CE1 TYR A 94 -2.976 -0.784 15.588 1.00 42.11 C ATOM 1561 CE2 TYR A 94 -5.199 0.086 15.417 1.00 63.20 C ATOM 1562 CZ TYR A 94 -4.338 -0.944 15.732 1.00 20.41 C ATOM 1563 OH TYR A 94 -4.840 -2.140 16.193 1.00 40.23 O ATOM 0 H TYR A 94 -3.850 4.713 15.383 1.00 14.34 H new ATOM 0 HA TYR A 94 -1.862 2.974 16.233 1.00 33.34 H new ATOM 0 HB2 TYR A 94 -3.584 3.373 13.872 1.00 31.01 H new ATOM 0 HB3 TYR A 94 -2.066 2.586 13.486 1.00 31.01 H new ATOM 0 HD1 TYR A 94 -1.409 0.541 15.015 1.00 12.44 H new ATOM 0 HD2 TYR A 94 -5.366 2.088 14.707 1.00 75.42 H new ATOM 0 HE1 TYR A 94 -2.305 -1.593 15.835 1.00 42.11 H new ATOM 0 HE2 TYR A 94 -6.265 -0.043 15.531 1.00 63.20 H new ATOM 0 HH TYR A 94 -5.818 -2.089 16.238 1.00 40.23 H new