USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 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+ -158:sc= 0.328 (180deg=0) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.312 K(o=0.64,f=-4.9!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -68:sc= -0.183 USER MOD Single : A 29 ASN : amide:sc= -0.0748 X(o=-0.075,f=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -2.51! C(o=-3.9!,f=-2.5!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -170:sc= -0.159 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.668 4.045 -3.823 1.00 24.42 N ATOM 178 CA LYS A 13 -0.912 4.471 -5.195 1.00 55.41 C ATOM 179 C LYS A 13 -1.117 3.268 -6.110 1.00 13.12 C ATOM 180 O LYS A 13 -1.914 3.316 -7.049 1.00 4.42 O ATOM 181 CB LYS A 13 0.254 5.319 -5.704 1.00 63.13 C ATOM 182 CG LYS A 13 -0.027 6.812 -5.691 1.00 51.34 C ATOM 183 CD LYS A 13 1.258 7.622 -5.649 1.00 50.30 C ATOM 184 CE LYS A 13 1.139 8.899 -6.468 1.00 13.15 C ATOM 185 NZ LYS A 13 2.452 9.586 -6.616 1.00 72.15 N ATOM 0 HA LYS A 13 -1.821 5.072 -5.205 1.00 55.41 H new ATOM 0 HB2 LYS A 13 1.133 5.118 -5.091 1.00 63.13 H new ATOM 0 HB3 LYS A 13 0.498 5.013 -6.721 1.00 63.13 H new ATOM 0 HG2 LYS A 13 -0.600 7.083 -6.578 1.00 51.34 H new ATOM 0 HG3 LYS A 13 -0.642 7.060 -4.826 1.00 51.34 H new ATOM 0 HD2 LYS A 13 1.498 7.872 -4.616 1.00 50.30 H new ATOM 0 HD3 LYS A 13 2.082 7.019 -6.031 1.00 50.30 H new ATOM 0 HE2 LYS A 13 0.740 8.662 -7.454 1.00 13.15 H new ATOM 0 HE3 LYS A 13 0.428 9.573 -5.989 1.00 13.15 H new ATOM 0 HZ1 LYS A 13 2.329 10.451 -7.180 1.00 72.15 H new ATOM 0 HZ2 LYS A 13 2.822 9.835 -5.676 1.00 72.15 H new ATOM 0 HZ3 LYS A 13 3.123 8.953 -7.095 1.00 72.15 H new ATOM 199 N LEU A 14 -0.396 2.188 -5.830 1.00 63.53 N ATOM 200 CA LEU A 14 -0.498 0.971 -6.627 1.00 75.13 C ATOM 201 C LEU A 14 -1.838 0.280 -6.395 1.00 11.14 C ATOM 202 O LEU A 14 -2.557 -0.038 -7.341 1.00 54.42 O ATOM 203 CB LEU A 14 0.647 0.016 -6.287 1.00 61.15 C ATOM 204 CG LEU A 14 1.895 0.126 -7.164 1.00 73.50 C ATOM 205 CD1 LEU A 14 1.585 -0.303 -8.589 1.00 64.32 C ATOM 206 CD2 LEU A 14 2.442 1.546 -7.138 1.00 74.12 C ATOM 0 H LEU A 14 0.266 2.130 -5.056 1.00 63.53 H new ATOM 0 HA LEU A 14 -0.430 1.248 -7.679 1.00 75.13 H new ATOM 0 HB2 LEU A 14 0.939 0.185 -5.251 1.00 61.15 H new ATOM 0 HB3 LEU A 14 0.272 -1.006 -6.349 1.00 61.15 H new ATOM 0 HG LEU A 14 2.657 -0.542 -6.764 1.00 73.50 H new ATOM 0 HD11 LEU A 14 2.485 -0.218 -9.198 1.00 64.32 H new ATOM 0 HD12 LEU A 14 1.242 -1.338 -8.591 1.00 64.32 H new ATOM 0 HD13 LEU A 14 0.806 0.339 -9.001 1.00 64.32 H new ATOM 0 HD21 LEU A 14 3.330 1.605 -7.768 1.00 74.12 H new ATOM 0 HD22 LEU A 14 1.685 2.235 -7.513 1.00 74.12 H new ATOM 0 HD23 LEU A 14 2.704 1.816 -6.115 1.00 74.12 H new ATOM 218 N TYR A 15 -2.168 0.051 -5.128 1.00 40.20 N ATOM 219 CA TYR A 15 -3.421 -0.603 -4.770 1.00 24.14 C ATOM 220 C TYR A 15 -4.617 0.211 -5.254 1.00 21.11 C ATOM 221 O TYR A 15 -5.501 -0.306 -5.937 1.00 33.23 O ATOM 222 CB TYR A 15 -3.503 -0.800 -3.256 1.00 33.04 C ATOM 223 CG TYR A 15 -4.750 -1.528 -2.806 1.00 62.55 C ATOM 224 CD1 TYR A 15 -4.826 -2.914 -2.861 1.00 62.24 C ATOM 225 CD2 TYR A 15 -5.852 -0.829 -2.329 1.00 74.21 C ATOM 226 CE1 TYR A 15 -5.964 -3.584 -2.453 1.00 4.04 C ATOM 227 CE2 TYR A 15 -6.993 -1.490 -1.917 1.00 34.32 C ATOM 228 CZ TYR A 15 -7.043 -2.868 -1.981 1.00 12.32 C ATOM 229 OH TYR A 15 -8.179 -3.530 -1.573 1.00 40.21 O ATOM 0 H TYR A 15 -1.585 0.309 -4.332 1.00 40.20 H new ATOM 0 HA TYR A 15 -3.446 -1.577 -5.258 1.00 24.14 H new ATOM 0 HB2 TYR A 15 -2.627 -1.357 -2.923 1.00 33.04 H new ATOM 0 HB3 TYR A 15 -3.466 0.174 -2.769 1.00 33.04 H new ATOM 0 HD1 TYR A 15 -3.981 -3.478 -3.229 1.00 62.24 H new ATOM 0 HD2 TYR A 15 -5.816 0.249 -2.279 1.00 74.21 H new ATOM 0 HE1 TYR A 15 -6.007 -4.662 -2.504 1.00 4.04 H new ATOM 0 HE2 TYR A 15 -7.841 -0.932 -1.547 1.00 34.32 H new ATOM 0 HH TYR A 15 -8.845 -2.879 -1.267 1.00 40.21 H new ATOM 239 N LYS A 16 -4.639 1.491 -4.894 1.00 63.52 N ATOM 240 CA LYS A 16 -5.723 2.380 -5.291 1.00 53.01 C ATOM 241 C LYS A 16 -5.822 2.472 -6.811 1.00 14.24 C ATOM 242 O LYS A 16 -6.861 2.853 -7.353 1.00 34.21 O ATOM 243 CB LYS A 16 -5.512 3.774 -4.697 1.00 64.02 C ATOM 244 CG LYS A 16 -4.466 4.595 -5.432 1.00 2.41 C ATOM 245 CD LYS A 16 -5.104 5.695 -6.264 1.00 32.34 C ATOM 246 CE LYS A 16 -4.103 6.789 -6.603 1.00 51.30 C ATOM 247 NZ LYS A 16 -4.337 8.023 -5.801 1.00 53.34 N ATOM 0 H LYS A 16 -3.917 1.935 -4.327 1.00 63.52 H new ATOM 0 HA LYS A 16 -6.656 1.967 -4.908 1.00 53.01 H new ATOM 0 HB2 LYS A 16 -6.460 4.313 -4.710 1.00 64.02 H new ATOM 0 HB3 LYS A 16 -5.216 3.674 -3.653 1.00 64.02 H new ATOM 0 HG2 LYS A 16 -3.776 5.036 -4.712 1.00 2.41 H new ATOM 0 HG3 LYS A 16 -3.879 3.943 -6.078 1.00 2.41 H new ATOM 0 HD2 LYS A 16 -5.506 5.270 -7.184 1.00 32.34 H new ATOM 0 HD3 LYS A 16 -5.944 6.125 -5.718 1.00 32.34 H new ATOM 0 HE2 LYS A 16 -3.092 6.425 -6.422 1.00 51.30 H new ATOM 0 HE3 LYS A 16 -4.171 7.027 -7.664 1.00 51.30 H new ATOM 0 HZ1 LYS A 16 -3.635 8.745 -6.061 1.00 53.34 H new ATOM 0 HZ2 LYS A 16 -5.293 8.385 -5.992 1.00 53.34 H new ATOM 0 HZ3 LYS A 16 -4.247 7.801 -4.789 1.00 53.34 H new ATOM 261 N ASP A 17 -4.738 2.121 -7.492 1.00 31.31 N ATOM 262 CA ASP A 17 -4.704 2.163 -8.949 1.00 75.52 C ATOM 263 C ASP A 17 -5.312 0.896 -9.543 1.00 41.25 C ATOM 264 O ASP A 17 -5.871 0.918 -10.639 1.00 71.34 O ATOM 265 CB ASP A 17 -3.266 2.332 -9.442 1.00 73.14 C ATOM 266 CG ASP A 17 -2.886 3.787 -9.631 1.00 21.45 C ATOM 267 OD1 ASP A 17 -3.511 4.652 -8.981 1.00 1.05 O ATOM 268 OD2 ASP A 17 -1.964 4.063 -10.427 1.00 72.01 O ATOM 0 H ASP A 17 -3.871 1.804 -7.059 1.00 31.31 H new ATOM 0 HA ASP A 17 -5.296 3.018 -9.277 1.00 75.52 H new ATOM 0 HB2 ASP A 17 -2.584 1.871 -8.728 1.00 73.14 H new ATOM 0 HB3 ASP A 17 -3.144 1.802 -10.387 1.00 73.14 H new ATOM 273 N GLY A 18 -5.199 -0.209 -8.812 1.00 24.03 N ATOM 274 CA GLY A 18 -5.741 -1.470 -9.283 1.00 23.33 C ATOM 275 C GLY A 18 -4.717 -2.586 -9.259 1.00 73.44 C ATOM 276 O GLY A 18 -4.729 -3.469 -10.117 1.00 51.32 O ATOM 0 H GLY A 18 -4.741 -0.253 -7.901 1.00 24.03 H new ATOM 0 HA2 GLY A 18 -6.593 -1.750 -8.664 1.00 23.33 H new ATOM 0 HA3 GLY A 18 -6.113 -1.345 -10.300 1.00 23.33 H new ATOM 280 N VAL A 19 -3.824 -2.548 -8.275 1.00 22.23 N ATOM 281 CA VAL A 19 -2.788 -3.565 -8.142 1.00 64.33 C ATOM 282 C VAL A 19 -3.066 -4.483 -6.958 1.00 71.55 C ATOM 283 O VAL A 19 -3.384 -4.037 -5.856 1.00 31.53 O ATOM 284 CB VAL A 19 -1.396 -2.928 -7.968 1.00 62.20 C ATOM 285 CG1 VAL A 19 -0.319 -4.001 -7.918 1.00 72.02 C ATOM 286 CG2 VAL A 19 -1.120 -1.936 -9.088 1.00 42.40 C ATOM 0 H VAL A 19 -3.797 -1.823 -7.558 1.00 22.23 H new ATOM 0 HA VAL A 19 -2.800 -4.150 -9.061 1.00 64.33 H new ATOM 0 HB VAL A 19 -1.380 -2.387 -7.022 1.00 62.20 H new ATOM 0 HG11 VAL A 19 0.657 -3.531 -7.795 1.00 72.02 H new ATOM 0 HG12 VAL A 19 -0.509 -4.669 -7.078 1.00 72.02 H new ATOM 0 HG13 VAL A 19 -0.332 -4.573 -8.846 1.00 72.02 H new ATOM 0 HG21 VAL A 19 -0.133 -1.496 -8.949 1.00 42.40 H new ATOM 0 HG22 VAL A 19 -1.156 -2.452 -10.048 1.00 42.40 H new ATOM 0 HG23 VAL A 19 -1.874 -1.149 -9.071 1.00 42.40 H new ATOM 296 N PRO A 20 -2.943 -5.799 -7.189 1.00 34.03 N ATOM 297 CA PRO A 20 -3.176 -6.810 -6.152 1.00 1.33 C ATOM 298 C PRO A 20 -2.095 -6.797 -5.077 1.00 3.10 C ATOM 299 O PRO A 20 -0.956 -6.405 -5.332 1.00 30.20 O ATOM 300 CB PRO A 20 -3.144 -8.128 -6.929 1.00 32.53 C ATOM 301 CG PRO A 20 -2.308 -7.841 -8.128 1.00 72.23 C ATOM 302 CD PRO A 20 -2.567 -6.402 -8.479 1.00 1.45 C ATOM 0 HA PRO A 20 -4.110 -6.638 -5.617 1.00 1.33 H new ATOM 0 HB2 PRO A 20 -2.714 -8.931 -6.330 1.00 32.53 H new ATOM 0 HB3 PRO A 20 -4.148 -8.445 -7.213 1.00 32.53 H new ATOM 0 HG2 PRO A 20 -1.252 -8.007 -7.916 1.00 72.23 H new ATOM 0 HG3 PRO A 20 -2.574 -8.498 -8.956 1.00 72.23 H new ATOM 0 HD2 PRO A 20 -1.683 -5.926 -8.902 1.00 1.45 H new ATOM 0 HD3 PRO A 20 -3.365 -6.305 -9.216 1.00 1.45 H new ATOM 310 N VAL A 21 -2.458 -7.229 -3.873 1.00 41.53 N ATOM 311 CA VAL A 21 -1.519 -7.269 -2.760 1.00 62.53 C ATOM 312 C VAL A 21 -0.266 -8.058 -3.126 1.00 62.54 C ATOM 313 O VAL A 21 0.850 -7.668 -2.783 1.00 4.14 O ATOM 314 CB VAL A 21 -2.158 -7.896 -1.508 1.00 10.13 C ATOM 315 CG1 VAL A 21 -3.219 -6.971 -0.930 1.00 35.34 C ATOM 316 CG2 VAL A 21 -2.750 -9.258 -1.837 1.00 51.03 C ATOM 0 H VAL A 21 -3.397 -7.556 -3.644 1.00 41.53 H new ATOM 0 HA VAL A 21 -1.245 -6.237 -2.541 1.00 62.53 H new ATOM 0 HB VAL A 21 -1.381 -8.035 -0.756 1.00 10.13 H new ATOM 0 HG11 VAL A 21 -3.660 -7.431 -0.046 1.00 35.34 H new ATOM 0 HG12 VAL A 21 -2.762 -6.020 -0.655 1.00 35.34 H new ATOM 0 HG13 VAL A 21 -3.996 -6.798 -1.675 1.00 35.34 H new ATOM 0 HG21 VAL A 21 -3.197 -9.687 -0.940 1.00 51.03 H new ATOM 0 HG22 VAL A 21 -3.514 -9.146 -2.606 1.00 51.03 H new ATOM 0 HG23 VAL A 21 -1.963 -9.919 -2.201 1.00 51.03 H new ATOM 326 N LYS A 22 -0.459 -9.172 -3.825 1.00 64.22 N ATOM 327 CA LYS A 22 0.656 -10.016 -4.241 1.00 54.54 C ATOM 328 C LYS A 22 1.647 -9.230 -5.093 1.00 12.13 C ATOM 329 O LYS A 22 2.859 -9.403 -4.968 1.00 74.23 O ATOM 330 CB LYS A 22 0.140 -11.226 -5.025 1.00 11.43 C ATOM 331 CG LYS A 22 -0.576 -10.856 -6.313 1.00 25.25 C ATOM 332 CD LYS A 22 -1.732 -11.799 -6.600 1.00 64.32 C ATOM 333 CE LYS A 22 -1.964 -11.956 -8.095 1.00 34.03 C ATOM 334 NZ LYS A 22 -1.439 -13.253 -8.604 1.00 61.44 N ATOM 0 H LYS A 22 -1.376 -9.511 -4.115 1.00 64.22 H new ATOM 0 HA LYS A 22 1.171 -10.362 -3.345 1.00 54.54 H new ATOM 0 HB2 LYS A 22 0.979 -11.880 -5.261 1.00 11.43 H new ATOM 0 HB3 LYS A 22 -0.540 -11.796 -4.392 1.00 11.43 H new ATOM 0 HG2 LYS A 22 -0.948 -9.834 -6.243 1.00 25.25 H new ATOM 0 HG3 LYS A 22 0.130 -10.882 -7.143 1.00 25.25 H new ATOM 0 HD2 LYS A 22 -1.526 -12.774 -6.158 1.00 64.32 H new ATOM 0 HD3 LYS A 22 -2.638 -11.420 -6.128 1.00 64.32 H new ATOM 0 HE2 LYS A 22 -3.031 -11.888 -8.306 1.00 34.03 H new ATOM 0 HE3 LYS A 22 -1.481 -11.135 -8.626 1.00 34.03 H new ATOM 0 HZ1 LYS A 22 -1.616 -13.322 -9.626 1.00 61.44 H new ATOM 0 HZ2 LYS A 22 -0.416 -13.307 -8.426 1.00 61.44 H new ATOM 0 HZ3 LYS A 22 -1.918 -14.037 -8.116 1.00 61.44 H new ATOM 348 N GLU A 23 1.124 -8.365 -5.956 1.00 54.52 N ATOM 349 CA GLU A 23 1.964 -7.553 -6.827 1.00 11.31 C ATOM 350 C GLU A 23 2.572 -6.383 -6.059 1.00 23.31 C ATOM 351 O GLU A 23 3.769 -6.114 -6.162 1.00 74.43 O ATOM 352 CB GLU A 23 1.152 -7.031 -8.015 1.00 21.05 C ATOM 353 CG GLU A 23 1.928 -6.082 -8.912 1.00 2.20 C ATOM 354 CD GLU A 23 1.290 -5.919 -10.279 1.00 31.40 C ATOM 355 OE1 GLU A 23 0.361 -6.689 -10.596 1.00 35.43 O ATOM 356 OE2 GLU A 23 1.722 -5.020 -11.030 1.00 73.23 O ATOM 0 H GLU A 23 0.123 -8.209 -6.070 1.00 54.52 H new ATOM 0 HA GLU A 23 2.773 -8.182 -7.198 1.00 11.31 H new ATOM 0 HB2 GLU A 23 0.807 -7.878 -8.608 1.00 21.05 H new ATOM 0 HB3 GLU A 23 0.264 -6.520 -7.641 1.00 21.05 H new ATOM 0 HG2 GLU A 23 1.998 -5.107 -8.429 1.00 2.20 H new ATOM 0 HG3 GLU A 23 2.946 -6.452 -9.032 1.00 2.20 H new ATOM 363 N ILE A 24 1.739 -5.691 -5.290 1.00 4.02 N ATOM 364 CA ILE A 24 2.194 -4.550 -4.505 1.00 32.32 C ATOM 365 C ILE A 24 3.365 -4.934 -3.606 1.00 4.33 C ATOM 366 O ILE A 24 4.300 -4.156 -3.424 1.00 22.54 O ATOM 367 CB ILE A 24 1.060 -3.978 -3.634 1.00 1.51 C ATOM 368 CG1 ILE A 24 -0.116 -3.543 -4.510 1.00 44.24 C ATOM 369 CG2 ILE A 24 1.569 -2.810 -2.802 1.00 3.03 C ATOM 370 CD1 ILE A 24 -1.437 -3.505 -3.775 1.00 1.23 C ATOM 0 H ILE A 24 0.745 -5.900 -5.194 1.00 4.02 H new ATOM 0 HA ILE A 24 2.517 -3.788 -5.214 1.00 32.32 H new ATOM 0 HB ILE A 24 0.714 -4.758 -2.956 1.00 1.51 H new ATOM 0 HG12 ILE A 24 0.092 -2.554 -4.918 1.00 44.24 H new ATOM 0 HG13 ILE A 24 -0.200 -4.225 -5.356 1.00 44.24 H new ATOM 0 HG21 ILE A 24 0.756 -2.416 -2.192 1.00 3.03 H new ATOM 0 HG22 ILE A 24 2.377 -3.150 -2.154 1.00 3.03 H new ATOM 0 HG23 ILE A 24 1.939 -2.026 -3.463 1.00 3.03 H new ATOM 0 HD11 ILE A 24 -2.225 -3.188 -4.459 1.00 1.23 H new ATOM 0 HD12 ILE A 24 -1.668 -4.498 -3.390 1.00 1.23 H new ATOM 0 HD13 ILE A 24 -1.372 -2.801 -2.945 1.00 1.23 H new ATOM 382 N ALA A 25 3.307 -6.139 -3.050 1.00 71.30 N ATOM 383 CA ALA A 25 4.364 -6.628 -2.174 1.00 62.21 C ATOM 384 C ALA A 25 5.716 -6.605 -2.879 1.00 65.34 C ATOM 385 O ALA A 25 6.720 -6.179 -2.307 1.00 53.12 O ATOM 386 CB ALA A 25 4.042 -8.035 -1.693 1.00 3.05 C ATOM 0 H ALA A 25 2.539 -6.795 -3.191 1.00 71.30 H new ATOM 0 HA ALA A 25 4.422 -5.965 -1.311 1.00 62.21 H new ATOM 0 HB1 ALA A 25 4.840 -8.388 -1.040 1.00 3.05 H new ATOM 0 HB2 ALA A 25 3.101 -8.025 -1.143 1.00 3.05 H new ATOM 0 HB3 ALA A 25 3.954 -8.702 -2.551 1.00 3.05 H new ATOM 392 N LYS A 26 5.735 -7.066 -4.126 1.00 23.34 N ATOM 393 CA LYS A 26 6.964 -7.098 -4.910 1.00 73.25 C ATOM 394 C LYS A 26 7.401 -5.688 -5.296 1.00 33.15 C ATOM 395 O LYS A 26 8.594 -5.405 -5.401 1.00 54.04 O ATOM 396 CB LYS A 26 6.767 -7.944 -6.170 1.00 54.22 C ATOM 397 CG LYS A 26 6.056 -9.262 -5.912 1.00 60.43 C ATOM 398 CD LYS A 26 6.778 -10.087 -4.860 1.00 74.35 C ATOM 399 CE LYS A 26 6.057 -11.400 -4.590 1.00 50.13 C ATOM 400 NZ LYS A 26 6.195 -11.826 -3.171 1.00 32.13 N ATOM 0 H LYS A 26 4.914 -7.422 -4.615 1.00 23.34 H new ATOM 0 HA LYS A 26 7.745 -7.546 -4.296 1.00 73.25 H new ATOM 0 HB2 LYS A 26 6.195 -7.369 -6.898 1.00 54.22 H new ATOM 0 HB3 LYS A 26 7.740 -8.147 -6.617 1.00 54.22 H new ATOM 0 HG2 LYS A 26 5.034 -9.068 -5.586 1.00 60.43 H new ATOM 0 HG3 LYS A 26 5.992 -9.830 -6.840 1.00 60.43 H new ATOM 0 HD2 LYS A 26 7.796 -10.291 -5.192 1.00 74.35 H new ATOM 0 HD3 LYS A 26 6.853 -9.515 -3.935 1.00 74.35 H new ATOM 0 HE2 LYS A 26 5.001 -11.291 -4.836 1.00 50.13 H new ATOM 0 HE3 LYS A 26 6.458 -12.175 -5.243 1.00 50.13 H new ATOM 0 HZ1 LYS A 26 5.690 -12.724 -3.027 1.00 32.13 H new ATOM 0 HZ2 LYS A 26 7.202 -11.954 -2.943 1.00 32.13 H new ATOM 0 HZ3 LYS A 26 5.790 -11.098 -2.549 1.00 32.13 H new ATOM 414 N ARG A 27 6.427 -4.808 -5.503 1.00 14.14 N ATOM 415 CA ARG A 27 6.711 -3.428 -5.876 1.00 2.04 C ATOM 416 C ARG A 27 7.331 -2.665 -4.707 1.00 54.44 C ATOM 417 O ARG A 27 8.362 -2.011 -4.858 1.00 72.23 O ATOM 418 CB ARG A 27 5.431 -2.727 -6.334 1.00 1.21 C ATOM 419 CG ARG A 27 4.836 -3.315 -7.603 1.00 15.04 C ATOM 420 CD ARG A 27 4.841 -2.307 -8.741 1.00 10.44 C ATOM 421 NE ARG A 27 4.865 -2.957 -10.049 1.00 11.04 N ATOM 422 CZ ARG A 27 5.908 -3.634 -10.513 1.00 22.12 C ATOM 423 NH1 ARG A 27 7.007 -3.750 -9.780 1.00 21.11 N ATOM 424 NH2 ARG A 27 5.855 -4.198 -11.713 1.00 33.22 N ATOM 0 H ARG A 27 5.434 -5.026 -5.419 1.00 14.14 H new ATOM 0 HA ARG A 27 7.425 -3.441 -6.700 1.00 2.04 H new ATOM 0 HB2 ARG A 27 4.691 -2.783 -5.536 1.00 1.21 H new ATOM 0 HB3 ARG A 27 5.644 -1.671 -6.498 1.00 1.21 H new ATOM 0 HG2 ARG A 27 5.403 -4.199 -7.896 1.00 15.04 H new ATOM 0 HG3 ARG A 27 3.814 -3.641 -7.409 1.00 15.04 H new ATOM 0 HD2 ARG A 27 3.957 -1.673 -8.668 1.00 10.44 H new ATOM 0 HD3 ARG A 27 5.709 -1.655 -8.644 1.00 10.44 H new ATOM 0 HE ARG A 27 4.035 -2.887 -10.638 1.00 11.04 H new ATOM 0 HH11 ARG A 27 7.052 -3.318 -8.857 1.00 21.11 H new ATOM 0 HH12 ARG A 27 7.807 -4.271 -10.139 1.00 21.11 H new ATOM 0 HH21 ARG A 27 5.012 -4.112 -12.280 1.00 33.22 H new ATOM 0 HH22 ARG A 27 6.658 -4.718 -12.068 1.00 33.22 H new ATOM 438 N SER A 28 6.693 -2.755 -3.544 1.00 45.54 N ATOM 439 CA SER A 28 7.179 -2.071 -2.352 1.00 42.22 C ATOM 440 C SER A 28 8.187 -2.935 -1.602 1.00 72.33 C ATOM 441 O SER A 28 8.675 -2.557 -0.538 1.00 63.43 O ATOM 442 CB SER A 28 6.010 -1.715 -1.431 1.00 33.22 C ATOM 443 OG SER A 28 5.380 -2.882 -0.933 1.00 54.23 O ATOM 0 H SER A 28 5.839 -3.295 -3.402 1.00 45.54 H new ATOM 0 HA SER A 28 7.677 -1.154 -2.667 1.00 42.22 H new ATOM 0 HB2 SER A 28 6.370 -1.109 -0.599 1.00 33.22 H new ATOM 0 HB3 SER A 28 5.285 -1.111 -1.976 1.00 33.22 H new ATOM 0 HG SER A 28 4.930 -3.349 -1.667 1.00 54.23 H new ATOM 449 N ASN A 29 8.494 -4.099 -2.166 1.00 31.40 N ATOM 450 CA ASN A 29 9.444 -5.019 -1.552 1.00 2.20 C ATOM 451 C ASN A 29 9.015 -5.376 -0.132 1.00 72.44 C ATOM 452 O ASN A 29 9.848 -5.679 0.721 1.00 2.52 O ATOM 453 CB ASN A 29 10.844 -4.402 -1.533 1.00 22.43 C ATOM 454 CG ASN A 29 11.236 -3.817 -2.876 1.00 2.23 C ATOM 455 OD1 ASN A 29 11.721 -2.688 -2.955 1.00 72.10 O ATOM 456 ND2 ASN A 29 11.027 -4.584 -3.940 1.00 0.33 N ATOM 0 H ASN A 29 8.099 -4.427 -3.047 1.00 31.40 H new ATOM 0 HA ASN A 29 9.464 -5.932 -2.147 1.00 2.20 H new ATOM 0 HB2 ASN A 29 10.884 -3.621 -0.774 1.00 22.43 H new ATOM 0 HB3 ASN A 29 11.570 -5.163 -1.245 1.00 22.43 H new ATOM 0 HD21 ASN A 29 11.271 -4.243 -4.870 1.00 0.33 H new ATOM 0 HD22 ASN A 29 10.623 -5.514 -3.827 1.00 0.33 H new ATOM 463 N ASN A 30 7.709 -5.340 0.112 1.00 71.13 N ATOM 464 CA ASN A 30 7.168 -5.661 1.428 1.00 0.34 C ATOM 465 C ASN A 30 6.483 -7.023 1.418 1.00 73.40 C ATOM 466 O ASN A 30 6.438 -7.699 0.390 1.00 63.53 O ATOM 467 CB ASN A 30 6.176 -4.582 1.871 1.00 72.52 C ATOM 468 CG ASN A 30 6.817 -3.541 2.768 1.00 13.21 C ATOM 469 OD1 ASN A 30 7.478 -3.997 3.825 1.00 71.32 O flip ATOM 470 ND2 ASN A 30 6.717 -2.340 2.513 1.00 51.23 N flip ATOM 0 H ASN A 30 7.006 -5.092 -0.584 1.00 71.13 H new ATOM 0 HA ASN A 30 7.997 -5.697 2.135 1.00 0.34 H new ATOM 0 HB2 ASN A 30 5.759 -4.092 0.991 1.00 72.52 H new ATOM 0 HB3 ASN A 30 5.345 -5.051 2.399 1.00 72.52 H new ATOM 0 HD21 ASN A 30 6.199 -2.035 1.689 1.00 51.23 H new ATOM 0 HD22 ASN A 30 7.152 -1.651 3.126 1.00 51.23 H new ATOM 477 N SER A 31 5.952 -7.422 2.569 1.00 24.21 N ATOM 478 CA SER A 31 5.273 -8.706 2.695 1.00 44.13 C ATOM 479 C SER A 31 3.759 -8.528 2.636 1.00 43.03 C ATOM 480 O SER A 31 3.243 -7.432 2.853 1.00 43.03 O ATOM 481 CB SER A 31 5.666 -9.390 4.005 1.00 22.32 C ATOM 482 OG SER A 31 5.747 -10.795 3.843 1.00 24.34 O ATOM 0 H SER A 31 5.979 -6.874 3.429 1.00 24.21 H new ATOM 0 HA SER A 31 5.581 -9.334 1.859 1.00 44.13 H new ATOM 0 HB2 SER A 31 6.627 -9.004 4.346 1.00 22.32 H new ATOM 0 HB3 SER A 31 4.934 -9.151 4.777 1.00 22.32 H new ATOM 0 HG SER A 31 6.002 -11.208 4.694 1.00 24.34 H new ATOM 488 N MET A 32 3.052 -9.614 2.340 1.00 62.24 N ATOM 489 CA MET A 32 1.597 -9.579 2.253 1.00 3.12 C ATOM 490 C MET A 32 0.989 -9.029 3.539 1.00 21.15 C ATOM 491 O MET A 32 -0.065 -8.395 3.517 1.00 4.32 O ATOM 492 CB MET A 32 1.047 -10.979 1.973 1.00 22.14 C ATOM 493 CG MET A 32 0.451 -11.131 0.583 1.00 44.10 C ATOM 494 SD MET A 32 -0.935 -12.282 0.545 1.00 42.23 S ATOM 495 CE MET A 32 -0.071 -13.850 0.482 1.00 43.43 C ATOM 0 H MET A 32 3.463 -10.529 2.156 1.00 62.24 H new ATOM 0 HA MET A 32 1.323 -8.918 1.431 1.00 3.12 H new ATOM 0 HB2 MET A 32 1.849 -11.707 2.097 1.00 22.14 H new ATOM 0 HB3 MET A 32 0.284 -11.216 2.714 1.00 22.14 H new ATOM 0 HG2 MET A 32 0.119 -10.156 0.226 1.00 44.10 H new ATOM 0 HG3 MET A 32 1.224 -11.476 -0.104 1.00 44.10 H new ATOM 0 HE1 MET A 32 -0.796 -14.664 0.454 1.00 43.43 H new ATOM 0 HE2 MET A 32 0.551 -13.887 -0.412 1.00 43.43 H new ATOM 0 HE3 MET A 32 0.558 -13.955 1.366 1.00 43.43 H new ATOM 505 N SER A 33 1.661 -9.277 4.660 1.00 53.42 N ATOM 506 CA SER A 33 1.184 -8.810 5.956 1.00 2.42 C ATOM 507 C SER A 33 1.506 -7.332 6.154 1.00 64.22 C ATOM 508 O SER A 33 0.841 -6.635 6.920 1.00 32.03 O ATOM 509 CB SER A 33 1.812 -9.635 7.081 1.00 41.21 C ATOM 510 OG SER A 33 3.028 -9.055 7.521 1.00 33.40 O ATOM 0 H SER A 33 2.537 -9.798 4.696 1.00 53.42 H new ATOM 0 HA SER A 33 0.101 -8.935 5.983 1.00 2.42 H new ATOM 0 HB2 SER A 33 1.116 -9.706 7.917 1.00 41.21 H new ATOM 0 HB3 SER A 33 1.995 -10.651 6.732 1.00 41.21 H new ATOM 0 HG SER A 33 3.409 -9.600 8.241 1.00 33.40 H new ATOM 516 N THR A 34 2.533 -6.858 5.455 1.00 42.32 N ATOM 517 CA THR A 34 2.946 -5.463 5.553 1.00 72.12 C ATOM 518 C THR A 34 2.124 -4.580 4.621 1.00 42.55 C ATOM 519 O THR A 34 1.583 -3.556 5.037 1.00 65.41 O ATOM 520 CB THR A 34 4.440 -5.295 5.216 1.00 43.13 C ATOM 521 OG1 THR A 34 5.228 -6.159 6.041 1.00 72.33 O ATOM 522 CG2 THR A 34 4.880 -3.852 5.417 1.00 72.31 C ATOM 0 H THR A 34 3.094 -7.420 4.815 1.00 42.32 H new ATOM 0 HA THR A 34 2.777 -5.154 6.585 1.00 72.12 H new ATOM 0 HB THR A 34 4.587 -5.561 4.169 1.00 43.13 H new ATOM 0 HG1 THR A 34 6.176 -6.048 5.820 1.00 72.33 H new ATOM 0 HG21 THR A 34 5.938 -3.757 5.173 1.00 72.31 H new ATOM 0 HG22 THR A 34 4.298 -3.200 4.766 1.00 72.31 H new ATOM 0 HG23 THR A 34 4.720 -3.564 6.456 1.00 72.31 H new ATOM 530 N VAL A 35 2.033 -4.984 3.358 1.00 63.14 N ATOM 531 CA VAL A 35 1.275 -4.229 2.366 1.00 21.33 C ATOM 532 C VAL A 35 -0.203 -4.168 2.735 1.00 4.13 C ATOM 533 O VAL A 35 -0.780 -3.086 2.852 1.00 22.11 O ATOM 534 CB VAL A 35 1.418 -4.846 0.962 1.00 14.44 C ATOM 535 CG1 VAL A 35 0.317 -4.338 0.042 1.00 74.21 C ATOM 536 CG2 VAL A 35 2.791 -4.541 0.383 1.00 10.12 C ATOM 0 H VAL A 35 2.475 -5.830 2.997 1.00 63.14 H new ATOM 0 HA VAL A 35 1.686 -3.219 2.354 1.00 21.33 H new ATOM 0 HB VAL A 35 1.318 -5.928 1.047 1.00 14.44 H new ATOM 0 HG11 VAL A 35 0.433 -4.784 -0.946 1.00 74.21 H new ATOM 0 HG12 VAL A 35 -0.655 -4.612 0.452 1.00 74.21 H new ATOM 0 HG13 VAL A 35 0.383 -3.253 -0.040 1.00 74.21 H new ATOM 0 HG21 VAL A 35 2.874 -4.985 -0.609 1.00 10.12 H new ATOM 0 HG22 VAL A 35 2.924 -3.462 0.310 1.00 10.12 H new ATOM 0 HG23 VAL A 35 3.561 -4.958 1.033 1.00 10.12 H new ATOM 546 N TYR A 36 -0.810 -5.334 2.918 1.00 74.43 N ATOM 547 CA TYR A 36 -2.223 -5.414 3.272 1.00 72.52 C ATOM 548 C TYR A 36 -2.530 -4.546 4.488 1.00 64.30 C ATOM 549 O TYR A 36 -3.562 -3.878 4.544 1.00 3.04 O ATOM 550 CB TYR A 36 -2.618 -6.865 3.556 1.00 44.44 C ATOM 551 CG TYR A 36 -4.106 -7.116 3.463 1.00 41.24 C ATOM 552 CD1 TYR A 36 -4.815 -6.789 2.313 1.00 3.32 C ATOM 553 CD2 TYR A 36 -4.803 -7.679 4.524 1.00 63.03 C ATOM 554 CE1 TYR A 36 -6.175 -7.015 2.224 1.00 2.13 C ATOM 555 CE2 TYR A 36 -6.163 -7.911 4.443 1.00 3.12 C ATOM 556 CZ TYR A 36 -6.844 -7.577 3.291 1.00 13.43 C ATOM 557 OH TYR A 36 -8.198 -7.805 3.208 1.00 42.13 O ATOM 0 H TYR A 36 -0.346 -6.238 2.827 1.00 74.43 H new ATOM 0 HA TYR A 36 -2.804 -5.044 2.427 1.00 72.52 H new ATOM 0 HB2 TYR A 36 -2.103 -7.518 2.851 1.00 44.44 H new ATOM 0 HB3 TYR A 36 -2.273 -7.138 4.553 1.00 44.44 H new ATOM 0 HD1 TYR A 36 -4.294 -6.351 1.475 1.00 3.32 H new ATOM 0 HD2 TYR A 36 -4.273 -7.940 5.428 1.00 63.03 H new ATOM 0 HE1 TYR A 36 -6.711 -6.753 1.324 1.00 2.13 H new ATOM 0 HE2 TYR A 36 -6.689 -8.351 5.277 1.00 3.12 H new ATOM 0 HH TYR A 36 -8.514 -8.206 4.044 1.00 42.13 H new ATOM 567 N LYS A 37 -1.623 -4.559 5.460 1.00 13.13 N ATOM 568 CA LYS A 37 -1.793 -3.772 6.676 1.00 50.01 C ATOM 569 C LYS A 37 -1.871 -2.283 6.353 1.00 12.25 C ATOM 570 O LYS A 37 -2.521 -1.517 7.066 1.00 60.44 O ATOM 571 CB LYS A 37 -0.637 -4.034 7.644 1.00 73.44 C ATOM 572 CG LYS A 37 -0.985 -5.011 8.754 1.00 23.54 C ATOM 573 CD LYS A 37 -0.993 -4.330 10.113 1.00 1.40 C ATOM 574 CE LYS A 37 -2.396 -3.889 10.505 1.00 42.13 C ATOM 575 NZ LYS A 37 -2.646 -4.070 11.961 1.00 12.04 N ATOM 0 H LYS A 37 -0.763 -5.106 5.429 1.00 13.13 H new ATOM 0 HA LYS A 37 -2.729 -4.074 7.147 1.00 50.01 H new ATOM 0 HB2 LYS A 37 0.214 -4.421 7.084 1.00 73.44 H new ATOM 0 HB3 LYS A 37 -0.324 -3.089 8.088 1.00 73.44 H new ATOM 0 HG2 LYS A 37 -1.964 -5.450 8.560 1.00 23.54 H new ATOM 0 HG3 LYS A 37 -0.264 -5.829 8.760 1.00 23.54 H new ATOM 0 HD2 LYS A 37 -0.601 -5.013 10.866 1.00 1.40 H new ATOM 0 HD3 LYS A 37 -0.331 -3.465 10.092 1.00 1.40 H new ATOM 0 HE2 LYS A 37 -2.535 -2.841 10.240 1.00 42.13 H new ATOM 0 HE3 LYS A 37 -3.129 -4.461 9.936 1.00 42.13 H new ATOM 0 HZ1 LYS A 37 -3.612 -3.759 12.189 1.00 12.04 H new ATOM 0 HZ2 LYS A 37 -2.538 -5.074 12.210 1.00 12.04 H new ATOM 0 HZ3 LYS A 37 -1.963 -3.504 12.504 1.00 12.04 H new ATOM 589 N ALA A 38 -1.207 -1.880 5.274 1.00 13.34 N ATOM 590 CA ALA A 38 -1.206 -0.484 4.857 1.00 44.23 C ATOM 591 C ALA A 38 -2.510 -0.119 4.156 1.00 51.34 C ATOM 592 O ALA A 38 -3.054 0.967 4.359 1.00 4.01 O ATOM 593 CB ALA A 38 -0.019 -0.207 3.945 1.00 31.55 C ATOM 0 H ALA A 38 -0.664 -2.500 4.674 1.00 13.34 H new ATOM 0 HA ALA A 38 -1.118 0.136 5.749 1.00 44.23 H new ATOM 0 HB1 ALA A 38 -0.030 0.840 3.641 1.00 31.55 H new ATOM 0 HB2 ALA A 38 0.907 -0.420 4.479 1.00 31.55 H new ATOM 0 HB3 ALA A 38 -0.083 -0.842 3.062 1.00 31.55 H new ATOM 599 N LEU A 39 -3.007 -1.032 3.328 1.00 2.13 N ATOM 600 CA LEU A 39 -4.248 -0.806 2.596 1.00 64.10 C ATOM 601 C LEU A 39 -5.408 -0.557 3.554 1.00 54.11 C ATOM 602 O LEU A 39 -6.153 0.410 3.403 1.00 11.33 O ATOM 603 CB LEU A 39 -4.560 -2.006 1.699 1.00 3.13 C ATOM 604 CG LEU A 39 -3.412 -2.503 0.820 1.00 41.51 C ATOM 605 CD1 LEU A 39 -3.826 -3.752 0.059 1.00 72.23 C ATOM 606 CD2 LEU A 39 -2.967 -1.412 -0.143 1.00 31.40 C ATOM 0 H LEU A 39 -2.569 -1.935 3.147 1.00 2.13 H new ATOM 0 HA LEU A 39 -4.118 0.080 1.975 1.00 64.10 H new ATOM 0 HB2 LEU A 39 -4.890 -2.830 2.331 1.00 3.13 H new ATOM 0 HB3 LEU A 39 -5.398 -1.743 1.053 1.00 3.13 H new ATOM 0 HG LEU A 39 -2.570 -2.757 1.464 1.00 41.51 H new ATOM 0 HD11 LEU A 39 -2.997 -4.092 -0.561 1.00 72.23 H new ATOM 0 HD12 LEU A 39 -4.095 -4.537 0.766 1.00 72.23 H new ATOM 0 HD13 LEU A 39 -4.684 -3.525 -0.574 1.00 72.23 H new ATOM 0 HD21 LEU A 39 -2.149 -1.783 -0.761 1.00 31.40 H new ATOM 0 HD22 LEU A 39 -3.803 -1.127 -0.781 1.00 31.40 H new ATOM 0 HD23 LEU A 39 -2.629 -0.543 0.422 1.00 31.40 H new ATOM 618 N GLU A 40 -5.553 -1.437 4.541 1.00 12.53 N ATOM 619 CA GLU A 40 -6.623 -1.311 5.524 1.00 20.43 C ATOM 620 C GLU A 40 -6.535 0.027 6.255 1.00 33.10 C ATOM 621 O GLU A 40 -7.551 0.600 6.647 1.00 34.22 O ATOM 622 CB GLU A 40 -6.556 -2.460 6.532 1.00 2.22 C ATOM 623 CG GLU A 40 -5.197 -2.612 7.194 1.00 64.21 C ATOM 624 CD GLU A 40 -5.236 -3.519 8.407 1.00 32.25 C ATOM 625 OE1 GLU A 40 -5.706 -3.065 9.472 1.00 2.44 O ATOM 626 OE2 GLU A 40 -4.798 -4.683 8.295 1.00 45.30 O ATOM 0 H GLU A 40 -4.944 -2.243 4.681 1.00 12.53 H new ATOM 0 HA GLU A 40 -7.575 -1.355 4.995 1.00 20.43 H new ATOM 0 HB2 GLU A 40 -7.310 -2.300 7.303 1.00 2.22 H new ATOM 0 HB3 GLU A 40 -6.810 -3.391 6.026 1.00 2.22 H new ATOM 0 HG2 GLU A 40 -4.487 -3.011 6.470 1.00 64.21 H new ATOM 0 HG3 GLU A 40 -4.830 -1.630 7.492 1.00 64.21 H new ATOM 633 N LYS A 41 -5.314 0.517 6.434 1.00 1.12 N ATOM 634 CA LYS A 41 -5.092 1.786 7.116 1.00 25.02 C ATOM 635 C LYS A 41 -5.375 2.962 6.186 1.00 53.25 C ATOM 636 O LYS A 41 -5.911 3.987 6.609 1.00 70.12 O ATOM 637 CB LYS A 41 -3.652 1.868 7.631 1.00 75.24 C ATOM 638 CG LYS A 41 -3.545 1.817 9.145 1.00 33.13 C ATOM 639 CD LYS A 41 -3.906 0.443 9.684 1.00 12.21 C ATOM 640 CE LYS A 41 -5.370 0.373 10.094 1.00 30.31 C ATOM 641 NZ LYS A 41 -5.526 -0.013 11.524 1.00 13.41 N ATOM 0 H LYS A 41 -4.462 0.054 6.116 1.00 1.12 H new ATOM 0 HA LYS A 41 -5.779 1.839 7.961 1.00 25.02 H new ATOM 0 HB2 LYS A 41 -3.076 1.046 7.206 1.00 75.24 H new ATOM 0 HB3 LYS A 41 -3.199 2.793 7.274 1.00 75.24 H new ATOM 0 HG2 LYS A 41 -2.529 2.072 9.448 1.00 33.13 H new ATOM 0 HG3 LYS A 41 -4.206 2.566 9.583 1.00 33.13 H new ATOM 0 HD2 LYS A 41 -3.703 -0.312 8.924 1.00 12.21 H new ATOM 0 HD3 LYS A 41 -3.275 0.210 10.542 1.00 12.21 H new ATOM 0 HE2 LYS A 41 -5.841 1.341 9.925 1.00 30.31 H new ATOM 0 HE3 LYS A 41 -5.890 -0.349 9.464 1.00 30.31 H new ATOM 0 HZ1 LYS A 41 -6.537 -0.050 11.765 1.00 13.41 H new ATOM 0 HZ2 LYS A 41 -5.098 -0.948 11.680 1.00 13.41 H new ATOM 0 HZ3 LYS A 41 -5.052 0.689 12.127 1.00 13.41 H new ATOM 655 N LEU A 42 -5.017 2.805 4.916 1.00 24.32 N ATOM 656 CA LEU A 42 -5.235 3.853 3.924 1.00 22.52 C ATOM 657 C LEU A 42 -6.720 4.012 3.619 1.00 40.35 C ATOM 658 O LEU A 42 -7.258 5.118 3.663 1.00 33.32 O ATOM 659 CB LEU A 42 -4.468 3.533 2.639 1.00 5.52 C ATOM 660 CG LEU A 42 -2.947 3.461 2.766 1.00 61.35 C ATOM 661 CD1 LEU A 42 -2.380 2.422 1.810 1.00 54.53 C ATOM 662 CD2 LEU A 42 -2.323 4.824 2.505 1.00 51.04 C ATOM 0 H LEU A 42 -4.575 1.962 4.549 1.00 24.32 H new ATOM 0 HA LEU A 42 -4.866 4.792 4.335 1.00 22.52 H new ATOM 0 HB2 LEU A 42 -4.826 2.578 2.254 1.00 5.52 H new ATOM 0 HB3 LEU A 42 -4.715 4.290 1.894 1.00 5.52 H new ATOM 0 HG LEU A 42 -2.702 3.161 3.785 1.00 61.35 H new ATOM 0 HD11 LEU A 42 -1.296 2.385 1.914 1.00 54.53 H new ATOM 0 HD12 LEU A 42 -2.801 1.444 2.044 1.00 54.53 H new ATOM 0 HD13 LEU A 42 -2.637 2.692 0.786 1.00 54.53 H new ATOM 0 HD21 LEU A 42 -1.240 4.752 2.600 1.00 51.04 H new ATOM 0 HD22 LEU A 42 -2.578 5.154 1.498 1.00 51.04 H new ATOM 0 HD23 LEU A 42 -2.704 5.543 3.230 1.00 51.04 H new ATOM 674 N GLU A 43 -7.378 2.899 3.309 1.00 70.32 N ATOM 675 CA GLU A 43 -8.802 2.915 2.996 1.00 13.35 C ATOM 676 C GLU A 43 -9.602 3.541 4.136 1.00 71.54 C ATOM 677 O GLU A 43 -10.590 4.238 3.906 1.00 31.33 O ATOM 678 CB GLU A 43 -9.304 1.496 2.725 1.00 73.11 C ATOM 679 CG GLU A 43 -10.571 1.448 1.887 1.00 60.52 C ATOM 680 CD GLU A 43 -11.788 1.038 2.693 1.00 72.11 C ATOM 681 OE1 GLU A 43 -12.151 1.773 3.634 1.00 11.33 O ATOM 682 OE2 GLU A 43 -12.378 -0.017 2.380 1.00 30.20 O ATOM 0 H GLU A 43 -6.948 1.975 3.268 1.00 70.32 H new ATOM 0 HA GLU A 43 -8.944 3.519 2.100 1.00 13.35 H new ATOM 0 HB2 GLU A 43 -8.521 0.933 2.217 1.00 73.11 H new ATOM 0 HB3 GLU A 43 -9.489 0.997 3.676 1.00 73.11 H new ATOM 0 HG2 GLU A 43 -10.747 2.428 1.444 1.00 60.52 H new ATOM 0 HG3 GLU A 43 -10.432 0.747 1.064 1.00 60.52 H new ATOM 689 N ALA A 44 -9.167 3.284 5.365 1.00 3.24 N ATOM 690 CA ALA A 44 -9.840 3.823 6.541 1.00 33.11 C ATOM 691 C ALA A 44 -9.751 5.345 6.576 1.00 61.21 C ATOM 692 O ALA A 44 -10.570 6.009 7.210 1.00 4.45 O ATOM 693 CB ALA A 44 -9.245 3.228 7.809 1.00 72.14 C ATOM 0 H ALA A 44 -8.352 2.706 5.572 1.00 3.24 H new ATOM 0 HA ALA A 44 -10.893 3.548 6.484 1.00 33.11 H new ATOM 0 HB1 ALA A 44 -9.757 3.639 8.679 1.00 72.14 H new ATOM 0 HB2 ALA A 44 -9.367 2.145 7.795 1.00 72.14 H new ATOM 0 HB3 ALA A 44 -8.184 3.473 7.863 1.00 72.14 H new ATOM 699 N MET A 45 -8.751 5.891 5.893 1.00 72.35 N ATOM 700 CA MET A 45 -8.556 7.335 5.846 1.00 70.12 C ATOM 701 C MET A 45 -9.098 7.915 4.544 1.00 72.25 C ATOM 702 O MET A 45 -9.449 9.092 4.476 1.00 71.31 O ATOM 703 CB MET A 45 -7.071 7.675 5.989 1.00 0.41 C ATOM 704 CG MET A 45 -6.517 7.403 7.379 1.00 72.03 C ATOM 705 SD MET A 45 -7.091 8.597 8.601 1.00 32.22 S ATOM 706 CE MET A 45 -5.723 9.753 8.614 1.00 2.10 C ATOM 0 H MET A 45 -8.063 5.355 5.364 1.00 72.35 H new ATOM 0 HA MET A 45 -9.105 7.778 6.677 1.00 70.12 H new ATOM 0 HB2 MET A 45 -6.502 7.097 5.260 1.00 0.41 H new ATOM 0 HB3 MET A 45 -6.922 8.727 5.747 1.00 0.41 H new ATOM 0 HG2 MET A 45 -6.808 6.400 7.692 1.00 72.03 H new ATOM 0 HG3 MET A 45 -5.428 7.422 7.342 1.00 72.03 H new ATOM 0 HE1 MET A 45 -5.930 10.553 9.325 1.00 2.10 H new ATOM 0 HE2 MET A 45 -4.811 9.234 8.907 1.00 2.10 H new ATOM 0 HE3 MET A 45 -5.595 10.177 7.618 1.00 2.10 H new ATOM 716 N GLY A 46 -9.165 7.080 3.510 1.00 21.42 N ATOM 717 CA GLY A 46 -9.664 7.529 2.224 1.00 1.43 C ATOM 718 C GLY A 46 -8.550 7.907 1.268 1.00 0.33 C ATOM 719 O GLY A 46 -8.751 8.714 0.360 1.00 61.22 O ATOM 0 H GLY A 46 -8.882 6.100 3.541 1.00 21.42 H new ATOM 0 HA2 GLY A 46 -10.269 6.740 1.777 1.00 1.43 H new ATOM 0 HA3 GLY A 46 -10.318 8.388 2.372 1.00 1.43 H new ATOM 723 N ARG A 47 -7.374 7.325 1.474 1.00 25.43 N ATOM 724 CA ARG A 47 -6.223 7.608 0.625 1.00 22.21 C ATOM 725 C ARG A 47 -6.290 6.801 -0.668 1.00 62.33 C ATOM 726 O ARG A 47 -6.050 7.329 -1.754 1.00 31.22 O ATOM 727 CB ARG A 47 -4.924 7.294 1.369 1.00 74.52 C ATOM 728 CG ARG A 47 -4.915 7.776 2.810 1.00 61.12 C ATOM 729 CD ARG A 47 -5.064 9.286 2.893 1.00 13.54 C ATOM 730 NE ARG A 47 -3.845 9.933 3.368 1.00 32.34 N ATOM 731 CZ ARG A 47 -3.730 11.243 3.551 1.00 22.33 C ATOM 732 NH1 ARG A 47 -4.757 12.044 3.300 1.00 74.34 N ATOM 733 NH2 ARG A 47 -2.586 11.756 3.986 1.00 40.21 N ATOM 0 H ARG A 47 -7.193 6.655 2.221 1.00 25.43 H new ATOM 0 HA ARG A 47 -6.241 8.668 0.372 1.00 22.21 H new ATOM 0 HB2 ARG A 47 -4.758 6.217 1.354 1.00 74.52 H new ATOM 0 HB3 ARG A 47 -4.091 7.752 0.836 1.00 74.52 H new ATOM 0 HG2 ARG A 47 -5.726 7.299 3.360 1.00 61.12 H new ATOM 0 HG3 ARG A 47 -3.984 7.474 3.290 1.00 61.12 H new ATOM 0 HD2 ARG A 47 -5.323 9.679 1.910 1.00 13.54 H new ATOM 0 HD3 ARG A 47 -5.889 9.532 3.562 1.00 13.54 H new ATOM 0 HE ARG A 47 -3.036 9.346 3.571 1.00 32.34 H new ATOM 0 HH11 ARG A 47 -5.638 11.654 2.965 1.00 74.34 H new ATOM 0 HH12 ARG A 47 -4.666 13.050 3.442 1.00 74.34 H new ATOM 0 HH21 ARG A 47 -1.794 11.144 4.180 1.00 40.21 H new ATOM 0 HH22 ARG A 47 -2.499 12.763 4.126 1.00 40.21 H new ATOM 747 N ILE A 48 -6.617 5.519 -0.543 1.00 24.40 N ATOM 748 CA ILE A 48 -6.715 4.639 -1.701 1.00 51.30 C ATOM 749 C ILE A 48 -8.137 4.614 -2.253 1.00 22.25 C ATOM 750 O ILE A 48 -8.350 4.354 -3.437 1.00 11.03 O ATOM 751 CB ILE A 48 -6.284 3.202 -1.355 1.00 15.33 C ATOM 752 CG1 ILE A 48 -7.169 2.636 -0.242 1.00 74.30 C ATOM 753 CG2 ILE A 48 -4.821 3.172 -0.942 1.00 61.11 C ATOM 754 CD1 ILE A 48 -6.856 1.198 0.107 1.00 65.30 C ATOM 0 H ILE A 48 -6.819 5.067 0.349 1.00 24.40 H new ATOM 0 HA ILE A 48 -6.041 5.038 -2.459 1.00 51.30 H new ATOM 0 HB ILE A 48 -6.403 2.579 -2.242 1.00 15.33 H new ATOM 0 HG12 ILE A 48 -7.054 3.251 0.650 1.00 74.30 H new ATOM 0 HG13 ILE A 48 -8.213 2.708 -0.547 1.00 74.30 H new ATOM 0 HG21 ILE A 48 -4.532 2.149 -0.701 1.00 61.11 H new ATOM 0 HG22 ILE A 48 -4.204 3.540 -1.762 1.00 61.11 H new ATOM 0 HG23 ILE A 48 -4.677 3.806 -0.067 1.00 61.11 H new ATOM 0 HD11 ILE A 48 -7.522 0.864 0.903 1.00 65.30 H new ATOM 0 HD12 ILE A 48 -6.999 0.571 -0.773 1.00 65.30 H new ATOM 0 HD13 ILE A 48 -5.822 1.122 0.443 1.00 65.30 H new ATOM 1035 N THR A 62 -15.104 -3.250 -1.677 1.00 42.43 N ATOM 1036 CA THR A 62 -15.415 -1.957 -1.081 1.00 63.11 C ATOM 1037 C THR A 62 -16.648 -2.045 -0.189 1.00 3.31 C ATOM 1038 O THR A 62 -17.393 -3.022 -0.240 1.00 4.30 O ATOM 1039 CB THR A 62 -15.650 -0.883 -2.160 1.00 40.34 C ATOM 1040 OG1 THR A 62 -14.901 -1.199 -3.338 1.00 32.50 O ATOM 1041 CG2 THR A 62 -15.248 0.493 -1.651 1.00 41.30 C ATOM 0 HA THR A 62 -14.554 -1.672 -0.477 1.00 63.11 H new ATOM 0 HB THR A 62 -16.713 -0.868 -2.400 1.00 40.34 H new ATOM 0 HG1 THR A 62 -15.354 -1.914 -3.832 1.00 32.50 H new ATOM 0 HG21 THR A 62 -15.423 1.235 -2.430 1.00 41.30 H new ATOM 0 HG22 THR A 62 -15.842 0.743 -0.772 1.00 41.30 H new ATOM 0 HG23 THR A 62 -14.191 0.488 -1.386 1.00 41.30 H new ATOM 1049 N GLU A 63 -16.857 -1.016 0.627 1.00 23.40 N ATOM 1050 CA GLU A 63 -18.000 -0.978 1.530 1.00 13.41 C ATOM 1051 C GLU A 63 -19.310 -1.098 0.756 1.00 61.13 C ATOM 1052 O GLU A 63 -20.305 -1.603 1.274 1.00 63.31 O ATOM 1053 CB GLU A 63 -17.993 0.318 2.345 1.00 54.25 C ATOM 1054 CG GLU A 63 -17.727 0.104 3.825 1.00 54.41 C ATOM 1055 CD GLU A 63 -17.486 1.403 4.567 1.00 4.15 C ATOM 1056 OE1 GLU A 63 -18.456 2.170 4.753 1.00 25.53 O ATOM 1057 OE2 GLU A 63 -16.329 1.655 4.963 1.00 21.01 O ATOM 0 H GLU A 63 -16.249 -0.198 0.681 1.00 23.40 H new ATOM 0 HA GLU A 63 -17.921 -1.826 2.210 1.00 13.41 H new ATOM 0 HB2 GLU A 63 -17.234 0.987 1.941 1.00 54.25 H new ATOM 0 HB3 GLU A 63 -18.954 0.818 2.226 1.00 54.25 H new ATOM 0 HG2 GLU A 63 -18.576 -0.413 4.272 1.00 54.41 H new ATOM 0 HG3 GLU A 63 -16.859 -0.545 3.944 1.00 54.41 H new ATOM 1064 N GLU A 64 -19.299 -0.629 -0.488 1.00 43.22 N ATOM 1065 CA GLU A 64 -20.486 -0.682 -1.334 1.00 4.34 C ATOM 1066 C GLU A 64 -20.757 -2.108 -1.802 1.00 64.35 C ATOM 1067 O GLU A 64 -21.883 -2.596 -1.720 1.00 42.00 O ATOM 1068 CB GLU A 64 -20.320 0.242 -2.543 1.00 21.13 C ATOM 1069 CG GLU A 64 -21.315 1.390 -2.573 1.00 22.24 C ATOM 1070 CD GLU A 64 -21.021 2.387 -3.677 1.00 63.44 C ATOM 1071 OE1 GLU A 64 -20.602 1.953 -4.771 1.00 11.52 O ATOM 1072 OE2 GLU A 64 -21.210 3.600 -3.449 1.00 34.22 O ATOM 0 H GLU A 64 -18.483 -0.209 -0.932 1.00 43.22 H new ATOM 0 HA GLU A 64 -21.338 -0.345 -0.743 1.00 4.34 H new ATOM 0 HB2 GLU A 64 -19.309 0.649 -2.543 1.00 21.13 H new ATOM 0 HB3 GLU A 64 -20.427 -0.345 -3.455 1.00 21.13 H new ATOM 0 HG2 GLU A 64 -22.321 0.991 -2.707 1.00 22.24 H new ATOM 0 HG3 GLU A 64 -21.301 1.903 -1.612 1.00 22.24 H new ATOM 1079 N GLU A 65 -19.714 -2.771 -2.295 1.00 13.21 N ATOM 1080 CA GLU A 65 -19.840 -4.141 -2.778 1.00 42.43 C ATOM 1081 C GLU A 65 -20.082 -5.106 -1.622 1.00 64.22 C ATOM 1082 O GLU A 65 -20.808 -6.091 -1.761 1.00 40.33 O ATOM 1083 CB GLU A 65 -18.582 -4.551 -3.547 1.00 34.54 C ATOM 1084 CG GLU A 65 -18.422 -3.840 -4.879 1.00 2.21 C ATOM 1085 CD GLU A 65 -17.750 -2.488 -4.741 1.00 1.31 C ATOM 1086 OE1 GLU A 65 -18.450 -1.510 -4.403 1.00 22.34 O ATOM 1087 OE2 GLU A 65 -16.525 -2.407 -4.971 1.00 3.53 O ATOM 0 H GLU A 65 -18.774 -2.382 -2.370 1.00 13.21 H new ATOM 0 HA GLU A 65 -20.698 -4.186 -3.449 1.00 42.43 H new ATOM 0 HB2 GLU A 65 -17.707 -4.348 -2.929 1.00 34.54 H new ATOM 0 HB3 GLU A 65 -18.607 -5.627 -3.720 1.00 34.54 H new ATOM 0 HG2 GLU A 65 -17.836 -4.466 -5.553 1.00 2.21 H new ATOM 0 HG3 GLU A 65 -19.402 -3.709 -5.337 1.00 2.21 H new ATOM 1094 N LEU A 66 -19.468 -4.816 -0.479 1.00 54.14 N ATOM 1095 CA LEU A 66 -19.615 -5.658 0.703 1.00 41.15 C ATOM 1096 C LEU A 66 -21.081 -5.779 1.106 1.00 15.43 C ATOM 1097 O LEU A 66 -21.502 -6.796 1.658 1.00 25.12 O ATOM 1098 CB LEU A 66 -18.800 -5.087 1.864 1.00 4.22 C ATOM 1099 CG LEU A 66 -17.290 -5.322 1.803 1.00 4.42 C ATOM 1100 CD1 LEU A 66 -16.553 -4.270 2.619 1.00 42.52 C ATOM 1101 CD2 LEU A 66 -16.947 -6.718 2.298 1.00 71.51 C ATOM 0 H LEU A 66 -18.864 -4.005 -0.346 1.00 54.14 H new ATOM 0 HA LEU A 66 -19.241 -6.653 0.460 1.00 41.15 H new ATOM 0 HB2 LEU A 66 -18.979 -4.013 1.914 1.00 4.22 H new ATOM 0 HB3 LEU A 66 -19.177 -5.516 2.792 1.00 4.22 H new ATOM 0 HG LEU A 66 -16.970 -5.238 0.764 1.00 4.42 H new ATOM 0 HD11 LEU A 66 -15.480 -4.453 2.564 1.00 42.52 H new ATOM 0 HD12 LEU A 66 -16.773 -3.280 2.220 1.00 42.52 H new ATOM 0 HD13 LEU A 66 -16.877 -4.323 3.658 1.00 42.52 H new ATOM 0 HD21 LEU A 66 -15.868 -6.867 2.247 1.00 71.51 H new ATOM 0 HD22 LEU A 66 -17.281 -6.831 3.329 1.00 71.51 H new ATOM 0 HD23 LEU A 66 -17.445 -7.459 1.673 1.00 71.51 H new ATOM 1113 N ALA A 67 -21.855 -4.735 0.825 1.00 31.20 N ATOM 1114 CA ALA A 67 -23.275 -4.727 1.154 1.00 24.14 C ATOM 1115 C ALA A 67 -24.083 -5.505 0.122 1.00 12.33 C ATOM 1116 O ALA A 67 -25.158 -6.025 0.424 1.00 73.13 O ATOM 1117 CB ALA A 67 -23.783 -3.296 1.257 1.00 50.45 C ATOM 0 H ALA A 67 -21.522 -3.885 0.371 1.00 31.20 H new ATOM 0 HA ALA A 67 -23.402 -5.217 2.119 1.00 24.14 H new ATOM 0 HB1 ALA A 67 -24.845 -3.304 1.503 1.00 50.45 H new ATOM 0 HB2 ALA A 67 -23.233 -2.770 2.038 1.00 50.45 H new ATOM 0 HB3 ALA A 67 -23.635 -2.788 0.304 1.00 50.45 H new ATOM 1123 N THR A 68 -23.560 -5.582 -1.097 1.00 60.34 N ATOM 1124 CA THR A 68 -24.234 -6.296 -2.175 1.00 3.33 C ATOM 1125 C THR A 68 -23.933 -7.788 -2.118 1.00 34.32 C ATOM 1126 O THR A 68 -24.809 -8.618 -2.369 1.00 23.45 O ATOM 1127 CB THR A 68 -23.817 -5.752 -3.554 1.00 42.23 C ATOM 1128 OG1 THR A 68 -24.151 -4.363 -3.655 1.00 23.50 O ATOM 1129 CG2 THR A 68 -24.504 -6.526 -4.670 1.00 44.43 C ATOM 0 H THR A 68 -22.671 -5.159 -1.363 1.00 60.34 H new ATOM 0 HA THR A 68 -25.304 -6.139 -2.038 1.00 3.33 H new ATOM 0 HB THR A 68 -22.739 -5.874 -3.658 1.00 42.23 H new ATOM 0 HG1 THR A 68 -23.881 -4.025 -4.534 1.00 23.50 H new ATOM 0 HG21 THR A 68 -24.195 -6.125 -5.635 1.00 44.43 H new ATOM 0 HG22 THR A 68 -24.225 -7.578 -4.608 1.00 44.43 H new ATOM 0 HG23 THR A 68 -25.585 -6.431 -4.567 1.00 44.43 H new ATOM 1137 N ILE A 69 -22.691 -8.126 -1.785 1.00 42.41 N ATOM 1138 CA ILE A 69 -22.277 -9.519 -1.693 1.00 31.30 C ATOM 1139 C ILE A 69 -23.035 -10.247 -0.588 1.00 54.43 C ATOM 1140 O ILE A 69 -23.397 -11.414 -0.734 1.00 52.10 O ATOM 1141 CB ILE A 69 -20.765 -9.642 -1.429 1.00 10.33 C ATOM 1142 CG1 ILE A 69 -20.360 -11.114 -1.323 1.00 45.50 C ATOM 1143 CG2 ILE A 69 -20.387 -8.891 -0.160 1.00 62.21 C ATOM 1144 CD1 ILE A 69 -18.866 -11.337 -1.409 1.00 11.12 C ATOM 0 H ILE A 69 -21.954 -7.453 -1.575 1.00 42.41 H new ATOM 0 HA ILE A 69 -22.508 -9.980 -2.653 1.00 31.30 H new ATOM 0 HB ILE A 69 -20.228 -9.197 -2.267 1.00 10.33 H new ATOM 0 HG12 ILE A 69 -20.725 -11.516 -0.378 1.00 45.50 H new ATOM 0 HG13 ILE A 69 -20.849 -11.675 -2.119 1.00 45.50 H new ATOM 0 HG21 ILE A 69 -19.315 -8.987 0.014 1.00 62.21 H new ATOM 0 HG22 ILE A 69 -20.644 -7.837 -0.270 1.00 62.21 H new ATOM 0 HG23 ILE A 69 -20.931 -9.310 0.687 1.00 62.21 H new ATOM 0 HD11 ILE A 69 -18.652 -12.403 -1.327 1.00 11.12 H new ATOM 0 HD12 ILE A 69 -18.497 -10.966 -2.365 1.00 11.12 H new ATOM 0 HD13 ILE A 69 -18.371 -10.804 -0.597 1.00 11.12 H new ATOM 1156 N ARG A 70 -23.273 -9.548 0.517 1.00 52.32 N ATOM 1157 CA ARG A 70 -23.990 -10.127 1.647 1.00 3.22 C ATOM 1158 C ARG A 70 -25.359 -10.644 1.216 1.00 3.13 C ATOM 1159 O ARG A 70 -25.931 -11.522 1.860 1.00 34.21 O ATOM 1160 CB ARG A 70 -24.152 -9.090 2.760 1.00 30.33 C ATOM 1161 CG ARG A 70 -25.234 -8.059 2.481 1.00 70.31 C ATOM 1162 CD ARG A 70 -26.504 -8.359 3.261 1.00 62.33 C ATOM 1163 NE ARG A 70 -26.566 -7.610 4.513 1.00 11.51 N ATOM 1164 CZ ARG A 70 -26.797 -6.303 4.578 1.00 15.11 C ATOM 1165 NH1 ARG A 70 -26.987 -5.605 3.467 1.00 1.53 N ATOM 1166 NH2 ARG A 70 -26.839 -5.694 5.756 1.00 45.34 N ATOM 0 H ARG A 70 -22.980 -8.581 0.654 1.00 52.32 H new ATOM 0 HA ARG A 70 -23.406 -10.967 2.024 1.00 3.22 H new ATOM 0 HB2 ARG A 70 -24.384 -9.604 3.693 1.00 30.33 H new ATOM 0 HB3 ARG A 70 -23.202 -8.576 2.907 1.00 30.33 H new ATOM 0 HG2 ARG A 70 -24.869 -7.067 2.746 1.00 70.31 H new ATOM 0 HG3 ARG A 70 -25.456 -8.043 1.414 1.00 70.31 H new ATOM 0 HD2 ARG A 70 -27.372 -8.114 2.649 1.00 62.33 H new ATOM 0 HD3 ARG A 70 -26.555 -9.427 3.474 1.00 62.33 H new ATOM 0 HE ARG A 70 -26.424 -8.118 5.386 1.00 11.51 H new ATOM 0 HH11 ARG A 70 -26.956 -6.071 2.560 1.00 1.53 H new ATOM 0 HH12 ARG A 70 -27.164 -4.602 3.519 1.00 1.53 H new ATOM 0 HH21 ARG A 70 -26.694 -6.229 6.612 1.00 45.34 H new ATOM 0 HH22 ARG A 70 -27.016 -4.691 5.805 1.00 45.34 H new ATOM 1180 N GLU A 71 -25.877 -10.091 0.124 1.00 14.30 N ATOM 1181 CA GLU A 71 -27.180 -10.497 -0.392 1.00 2.32 C ATOM 1182 C GLU A 71 -27.239 -12.008 -0.592 1.00 74.44 C ATOM 1183 O GLU A 71 -28.298 -12.623 -0.461 1.00 34.01 O ATOM 1184 CB GLU A 71 -27.475 -9.784 -1.713 1.00 42.20 C ATOM 1185 CG GLU A 71 -28.958 -9.599 -1.987 1.00 3.22 C ATOM 1186 CD GLU A 71 -29.234 -8.493 -2.987 1.00 5.11 C ATOM 1187 OE1 GLU A 71 -28.496 -8.403 -3.990 1.00 44.22 O ATOM 1188 OE2 GLU A 71 -30.187 -7.717 -2.765 1.00 73.34 O ATOM 0 H GLU A 71 -25.416 -9.362 -0.420 1.00 14.30 H new ATOM 0 HA GLU A 71 -27.936 -10.215 0.341 1.00 2.32 H new ATOM 0 HB2 GLU A 71 -26.991 -8.807 -1.705 1.00 42.20 H new ATOM 0 HB3 GLU A 71 -27.031 -10.353 -2.530 1.00 42.20 H new ATOM 0 HG2 GLU A 71 -29.374 -10.534 -2.362 1.00 3.22 H new ATOM 0 HG3 GLU A 71 -29.471 -9.374 -1.052 1.00 3.22 H new ATOM 1195 N LEU A 72 -26.094 -12.602 -0.914 1.00 53.40 N ATOM 1196 CA LEU A 72 -26.014 -14.041 -1.134 1.00 15.22 C ATOM 1197 C LEU A 72 -26.593 -14.806 0.052 1.00 73.32 C ATOM 1198 O LEU A 72 -26.990 -15.965 -0.077 1.00 63.35 O ATOM 1199 CB LEU A 72 -24.563 -14.461 -1.367 1.00 74.34 C ATOM 1200 CG LEU A 72 -23.761 -14.828 -0.118 1.00 43.31 C ATOM 1201 CD1 LEU A 72 -23.867 -13.728 0.926 1.00 65.13 C ATOM 1202 CD2 LEU A 72 -24.239 -16.155 0.452 1.00 55.40 C ATOM 0 H LEU A 72 -25.209 -12.108 -1.028 1.00 53.40 H new ATOM 0 HA LEU A 72 -26.602 -14.282 -2.020 1.00 15.22 H new ATOM 0 HB2 LEU A 72 -24.558 -15.317 -2.042 1.00 74.34 H new ATOM 0 HB3 LEU A 72 -24.048 -13.648 -1.879 1.00 74.34 H new ATOM 0 HG LEU A 72 -22.713 -14.933 -0.400 1.00 43.31 H new ATOM 0 HD11 LEU A 72 -23.290 -14.007 1.808 1.00 65.13 H new ATOM 0 HD12 LEU A 72 -23.475 -12.797 0.515 1.00 65.13 H new ATOM 0 HD13 LEU A 72 -24.912 -13.590 1.205 1.00 65.13 H new ATOM 0 HD21 LEU A 72 -23.657 -16.400 1.340 1.00 55.40 H new ATOM 0 HD22 LEU A 72 -25.293 -16.078 0.719 1.00 55.40 H new ATOM 0 HD23 LEU A 72 -24.110 -16.939 -0.294 1.00 55.40 H new ATOM 1214 N TYR A 73 -26.639 -14.151 1.206 1.00 13.21 N ATOM 1215 CA TYR A 73 -27.169 -14.770 2.416 1.00 24.11 C ATOM 1216 C TYR A 73 -28.694 -14.783 2.398 1.00 1.42 C ATOM 1217 O TYR A 73 -29.323 -15.775 2.769 1.00 50.12 O ATOM 1218 CB TYR A 73 -26.669 -14.027 3.656 1.00 43.12 C ATOM 1219 CG TYR A 73 -26.090 -14.937 4.715 1.00 11.43 C ATOM 1220 CD1 TYR A 73 -26.771 -16.074 5.130 1.00 53.15 C ATOM 1221 CD2 TYR A 73 -24.861 -14.659 5.301 1.00 75.52 C ATOM 1222 CE1 TYR A 73 -26.247 -16.908 6.098 1.00 10.42 C ATOM 1223 CE2 TYR A 73 -24.328 -15.488 6.270 1.00 53.24 C ATOM 1224 CZ TYR A 73 -25.025 -16.611 6.664 1.00 32.12 C ATOM 1225 OH TYR A 73 -24.499 -17.440 7.628 1.00 32.24 O ATOM 0 H TYR A 73 -26.316 -13.191 1.330 1.00 13.21 H new ATOM 0 HA TYR A 73 -26.815 -15.800 2.451 1.00 24.11 H new ATOM 0 HB2 TYR A 73 -25.910 -13.305 3.355 1.00 43.12 H new ATOM 0 HB3 TYR A 73 -27.494 -13.461 4.087 1.00 43.12 H new ATOM 0 HD1 TYR A 73 -27.728 -16.310 4.688 1.00 53.15 H new ATOM 0 HD2 TYR A 73 -24.313 -13.780 4.994 1.00 75.52 H new ATOM 0 HE1 TYR A 73 -26.791 -17.787 6.410 1.00 10.42 H new ATOM 0 HE2 TYR A 73 -23.372 -15.258 6.716 1.00 53.24 H new ATOM 0 HH TYR A 73 -23.632 -17.090 7.923 1.00 32.24 H new ATOM 1235 N LEU A 74 -29.284 -13.674 1.963 1.00 34.01 N ATOM 1236 CA LEU A 74 -30.736 -13.556 1.895 1.00 32.23 C ATOM 1237 C LEU A 74 -31.300 -14.411 0.765 1.00 2.32 C ATOM 1238 O LEU A 74 -32.298 -15.111 0.939 1.00 42.11 O ATOM 1239 CB LEU A 74 -31.140 -12.094 1.695 1.00 31.44 C ATOM 1240 CG LEU A 74 -30.780 -11.137 2.832 1.00 2.13 C ATOM 1241 CD1 LEU A 74 -29.538 -10.334 2.481 1.00 64.42 C ATOM 1242 CD2 LEU A 74 -31.948 -10.210 3.137 1.00 31.13 C ATOM 0 H LEU A 74 -28.779 -12.844 1.652 1.00 34.01 H new ATOM 0 HA LEU A 74 -31.149 -13.915 2.838 1.00 32.23 H new ATOM 0 HB2 LEU A 74 -30.673 -11.731 0.780 1.00 31.44 H new ATOM 0 HB3 LEU A 74 -32.218 -12.054 1.541 1.00 31.44 H new ATOM 0 HG LEU A 74 -30.566 -11.726 3.724 1.00 2.13 H new ATOM 0 HD11 LEU A 74 -29.297 -9.659 3.302 1.00 64.42 H new ATOM 0 HD12 LEU A 74 -28.702 -11.012 2.312 1.00 64.42 H new ATOM 0 HD13 LEU A 74 -29.723 -9.754 1.577 1.00 64.42 H new ATOM 0 HD21 LEU A 74 -31.675 -9.536 3.949 1.00 31.13 H new ATOM 0 HD22 LEU A 74 -32.192 -9.628 2.248 1.00 31.13 H new ATOM 0 HD23 LEU A 74 -32.814 -10.802 3.433 1.00 31.13 H new ATOM 1254 N LYS A 75 -30.653 -14.350 -0.394 1.00 34.21 N ATOM 1255 CA LYS A 75 -31.087 -15.121 -1.553 1.00 64.23 C ATOM 1256 C LYS A 75 -30.595 -16.562 -1.464 1.00 61.51 C ATOM 1257 O LYS A 75 -31.135 -17.455 -2.117 1.00 20.24 O ATOM 1258 CB LYS A 75 -30.572 -14.475 -2.842 1.00 55.30 C ATOM 1259 CG LYS A 75 -31.261 -13.165 -3.182 1.00 34.10 C ATOM 1260 CD LYS A 75 -30.443 -12.344 -4.165 1.00 51.51 C ATOM 1261 CE LYS A 75 -30.256 -13.078 -5.485 1.00 14.45 C ATOM 1262 NZ LYS A 75 -29.702 -12.187 -6.541 1.00 3.04 N ATOM 0 H LYS A 75 -29.826 -13.775 -0.556 1.00 34.21 H new ATOM 0 HA LYS A 75 -32.177 -15.128 -1.566 1.00 64.23 H new ATOM 0 HB2 LYS A 75 -29.501 -14.299 -2.747 1.00 55.30 H new ATOM 0 HB3 LYS A 75 -30.708 -15.173 -3.668 1.00 55.30 H new ATOM 0 HG2 LYS A 75 -32.244 -13.369 -3.606 1.00 34.10 H new ATOM 0 HG3 LYS A 75 -31.421 -12.589 -2.270 1.00 34.10 H new ATOM 0 HD2 LYS A 75 -30.939 -11.390 -4.345 1.00 51.51 H new ATOM 0 HD3 LYS A 75 -29.469 -12.120 -3.731 1.00 51.51 H new ATOM 0 HE2 LYS A 75 -29.587 -13.926 -5.337 1.00 14.45 H new ATOM 0 HE3 LYS A 75 -31.213 -13.481 -5.815 1.00 14.45 H new ATOM 0 HZ1 LYS A 75 -29.929 -12.577 -7.478 1.00 3.04 H new ATOM 0 HZ2 LYS A 75 -30.120 -11.239 -6.450 1.00 3.04 H new ATOM 0 HZ3 LYS A 75 -28.670 -12.122 -6.434 1.00 3.04 H new ATOM 1276 N GLY A 76 -29.567 -16.783 -0.649 1.00 34.24 N ATOM 1277 CA GLY A 76 -29.022 -18.118 -0.488 1.00 31.40 C ATOM 1278 C GLY A 76 -28.105 -18.512 -1.629 1.00 4.24 C ATOM 1279 O GLY A 76 -27.782 -19.687 -1.797 1.00 23.41 O ATOM 0 H GLY A 76 -29.103 -16.061 -0.098 1.00 34.24 H new ATOM 0 HA2 GLY A 76 -28.472 -18.171 0.451 1.00 31.40 H new ATOM 0 HA3 GLY A 76 -29.840 -18.835 -0.419 1.00 31.40 H new ATOM 1283 N ALA A 77 -27.687 -17.526 -2.416 1.00 42.22 N ATOM 1284 CA ALA A 77 -26.801 -17.775 -3.547 1.00 53.54 C ATOM 1285 C ALA A 77 -25.481 -18.384 -3.088 1.00 54.42 C ATOM 1286 O ALA A 77 -25.209 -18.470 -1.889 1.00 72.25 O ATOM 1287 CB ALA A 77 -26.551 -16.486 -4.315 1.00 25.40 C ATOM 0 H ALA A 77 -27.947 -16.548 -2.291 1.00 42.22 H new ATOM 0 HA ALA A 77 -27.290 -18.490 -4.208 1.00 53.54 H new ATOM 0 HB1 ALA A 77 -25.888 -16.687 -5.157 1.00 25.40 H new ATOM 0 HB2 ALA A 77 -27.498 -16.093 -4.685 1.00 25.40 H new ATOM 0 HB3 ALA A 77 -26.087 -15.753 -3.655 1.00 25.40 H new ATOM 1293 N THR A 78 -24.665 -18.808 -4.047 1.00 61.13 N ATOM 1294 CA THR A 78 -23.374 -19.412 -3.741 1.00 43.02 C ATOM 1295 C THR A 78 -22.227 -18.550 -4.257 1.00 52.31 C ATOM 1296 O THR A 78 -22.449 -17.516 -4.887 1.00 51.22 O ATOM 1297 CB THR A 78 -23.255 -20.822 -4.348 1.00 24.20 C ATOM 1298 OG1 THR A 78 -23.387 -20.755 -5.772 1.00 72.51 O ATOM 1299 CG2 THR A 78 -24.319 -21.748 -3.778 1.00 64.10 C ATOM 0 H THR A 78 -24.875 -18.744 -5.043 1.00 61.13 H new ATOM 0 HA THR A 78 -23.309 -19.486 -2.655 1.00 43.02 H new ATOM 0 HB THR A 78 -22.274 -21.222 -4.093 1.00 24.20 H new ATOM 0 HG1 THR A 78 -23.308 -21.656 -6.151 1.00 72.51 H new ATOM 0 HG21 THR A 78 -24.215 -22.738 -4.222 1.00 64.10 H new ATOM 0 HG22 THR A 78 -24.198 -21.820 -2.697 1.00 64.10 H new ATOM 0 HG23 THR A 78 -25.308 -21.350 -4.006 1.00 64.10 H new ATOM 1307 N VAL A 79 -21.000 -18.983 -3.988 1.00 4.10 N ATOM 1308 CA VAL A 79 -19.817 -18.251 -4.428 1.00 13.43 C ATOM 1309 C VAL A 79 -19.858 -17.991 -5.929 1.00 15.41 C ATOM 1310 O VAL A 79 -19.383 -16.960 -6.404 1.00 63.11 O ATOM 1311 CB VAL A 79 -18.525 -19.016 -4.085 1.00 50.25 C ATOM 1312 CG1 VAL A 79 -17.302 -18.179 -4.430 1.00 20.11 C ATOM 1313 CG2 VAL A 79 -18.514 -19.413 -2.616 1.00 42.22 C ATOM 0 H VAL A 79 -20.798 -19.837 -3.468 1.00 4.10 H new ATOM 0 HA VAL A 79 -19.818 -17.299 -3.898 1.00 13.43 H new ATOM 0 HB VAL A 79 -18.493 -19.927 -4.683 1.00 50.25 H new ATOM 0 HG11 VAL A 79 -16.398 -18.735 -4.181 1.00 20.11 H new ATOM 0 HG12 VAL A 79 -17.306 -17.951 -5.496 1.00 20.11 H new ATOM 0 HG13 VAL A 79 -17.325 -17.250 -3.861 1.00 20.11 H new ATOM 0 HG21 VAL A 79 -17.594 -19.953 -2.392 1.00 42.22 H new ATOM 0 HG22 VAL A 79 -18.570 -18.518 -1.997 1.00 42.22 H new ATOM 0 HG23 VAL A 79 -19.371 -20.054 -2.406 1.00 42.22 H new ATOM 1323 N TYR A 80 -20.431 -18.933 -6.671 1.00 61.10 N ATOM 1324 CA TYR A 80 -20.534 -18.807 -8.120 1.00 41.04 C ATOM 1325 C TYR A 80 -21.542 -17.728 -8.504 1.00 23.24 C ATOM 1326 O TYR A 80 -21.390 -17.058 -9.524 1.00 53.34 O ATOM 1327 CB TYR A 80 -20.940 -20.144 -8.742 1.00 50.31 C ATOM 1328 CG TYR A 80 -20.910 -20.143 -10.253 1.00 71.35 C ATOM 1329 CD1 TYR A 80 -22.019 -19.745 -10.990 1.00 70.21 C ATOM 1330 CD2 TYR A 80 -19.772 -20.540 -10.945 1.00 61.30 C ATOM 1331 CE1 TYR A 80 -21.995 -19.743 -12.371 1.00 75.13 C ATOM 1332 CE2 TYR A 80 -19.739 -20.540 -12.326 1.00 1.22 C ATOM 1333 CZ TYR A 80 -20.854 -20.142 -13.035 1.00 22.20 C ATOM 1334 OH TYR A 80 -20.825 -20.140 -14.411 1.00 15.24 O ATOM 0 H TYR A 80 -20.831 -19.792 -6.293 1.00 61.10 H new ATOM 0 HA TYR A 80 -19.556 -18.517 -8.504 1.00 41.04 H new ATOM 0 HB2 TYR A 80 -20.273 -20.924 -8.374 1.00 50.31 H new ATOM 0 HB3 TYR A 80 -21.945 -20.401 -8.407 1.00 50.31 H new ATOM 0 HD1 TYR A 80 -22.915 -19.432 -10.474 1.00 70.21 H new ATOM 0 HD2 TYR A 80 -18.898 -20.854 -10.393 1.00 61.30 H new ATOM 0 HE1 TYR A 80 -22.866 -19.430 -12.928 1.00 75.13 H new ATOM 0 HE2 TYR A 80 -18.846 -20.850 -12.848 1.00 1.22 H new ATOM 0 HH TYR A 80 -19.947 -20.447 -14.720 1.00 15.24 H new ATOM 1344 N GLU A 81 -22.569 -17.565 -7.675 1.00 62.53 N ATOM 1345 CA GLU A 81 -23.601 -16.567 -7.927 1.00 52.15 C ATOM 1346 C GLU A 81 -23.042 -15.156 -7.777 1.00 45.42 C ATOM 1347 O GLU A 81 -23.111 -14.347 -8.703 1.00 41.33 O ATOM 1348 CB GLU A 81 -24.778 -16.766 -6.970 1.00 11.30 C ATOM 1349 CG GLU A 81 -25.675 -17.935 -7.341 1.00 64.11 C ATOM 1350 CD GLU A 81 -26.570 -17.630 -8.526 1.00 72.13 C ATOM 1351 OE1 GLU A 81 -26.593 -16.461 -8.966 1.00 12.20 O ATOM 1352 OE2 GLU A 81 -27.246 -18.559 -9.014 1.00 55.12 O ATOM 0 H GLU A 81 -22.708 -18.111 -6.825 1.00 62.53 H new ATOM 0 HA GLU A 81 -23.950 -16.693 -8.952 1.00 52.15 H new ATOM 0 HB2 GLU A 81 -24.393 -16.920 -5.962 1.00 11.30 H new ATOM 0 HB3 GLU A 81 -25.375 -15.854 -6.947 1.00 11.30 H new ATOM 0 HG2 GLU A 81 -25.058 -18.803 -7.571 1.00 64.11 H new ATOM 0 HG3 GLU A 81 -26.292 -18.201 -6.483 1.00 64.11 H new ATOM 1359 N ILE A 82 -22.489 -14.867 -6.604 1.00 44.51 N ATOM 1360 CA ILE A 82 -21.918 -13.553 -6.333 1.00 33.04 C ATOM 1361 C ILE A 82 -20.846 -13.197 -7.357 1.00 11.21 C ATOM 1362 O ILE A 82 -20.688 -12.034 -7.726 1.00 4.10 O ATOM 1363 CB ILE A 82 -21.305 -13.487 -4.921 1.00 65.02 C ATOM 1364 CG1 ILE A 82 -20.318 -14.638 -4.715 1.00 44.32 C ATOM 1365 CG2 ILE A 82 -22.400 -13.526 -3.866 1.00 41.30 C ATOM 1366 CD1 ILE A 82 -19.661 -14.633 -3.353 1.00 22.02 C ATOM 0 H ILE A 82 -22.424 -15.524 -5.827 1.00 44.51 H new ATOM 0 HA ILE A 82 -22.734 -12.834 -6.401 1.00 33.04 H new ATOM 0 HB ILE A 82 -20.763 -12.547 -4.820 1.00 65.02 H new ATOM 0 HG12 ILE A 82 -20.841 -15.584 -4.854 1.00 44.32 H new ATOM 0 HG13 ILE A 82 -19.546 -14.586 -5.482 1.00 44.32 H new ATOM 0 HG21 ILE A 82 -21.951 -13.479 -2.874 1.00 41.30 H new ATOM 0 HG22 ILE A 82 -23.068 -12.676 -4.003 1.00 41.30 H new ATOM 0 HG23 ILE A 82 -22.967 -14.452 -3.964 1.00 41.30 H new ATOM 0 HD11 ILE A 82 -18.974 -15.476 -3.277 1.00 22.02 H new ATOM 0 HD12 ILE A 82 -19.109 -13.703 -3.219 1.00 22.02 H new ATOM 0 HD13 ILE A 82 -20.425 -14.717 -2.580 1.00 22.02 H new ATOM 1378 N ALA A 83 -20.114 -14.207 -7.813 1.00 61.54 N ATOM 1379 CA ALA A 83 -19.059 -14.003 -8.798 1.00 43.05 C ATOM 1380 C ALA A 83 -19.626 -13.454 -10.105 1.00 34.54 C ATOM 1381 O ALA A 83 -19.107 -12.486 -10.659 1.00 50.20 O ATOM 1382 CB ALA A 83 -18.311 -15.303 -9.051 1.00 32.14 C ATOM 0 H ALA A 83 -20.232 -15.176 -7.516 1.00 61.54 H new ATOM 0 HA ALA A 83 -18.361 -13.268 -8.397 1.00 43.05 H new ATOM 0 HB1 ALA A 83 -17.527 -15.134 -9.789 1.00 32.14 H new ATOM 0 HB2 ALA A 83 -17.864 -15.653 -8.120 1.00 32.14 H new ATOM 0 HB3 ALA A 83 -19.005 -16.055 -9.426 1.00 32.14 H new ATOM 1388 N ARG A 84 -20.692 -14.081 -10.589 1.00 34.12 N ATOM 1389 CA ARG A 84 -21.329 -13.657 -11.831 1.00 63.21 C ATOM 1390 C ARG A 84 -22.100 -12.356 -11.630 1.00 21.32 C ATOM 1391 O ARG A 84 -22.021 -11.444 -12.452 1.00 61.21 O ATOM 1392 CB ARG A 84 -22.272 -14.748 -12.343 1.00 43.42 C ATOM 1393 CG ARG A 84 -21.857 -15.331 -13.685 1.00 3.24 C ATOM 1394 CD ARG A 84 -22.701 -16.540 -14.051 1.00 54.34 C ATOM 1395 NE ARG A 84 -23.370 -16.372 -15.338 1.00 12.32 N ATOM 1396 CZ ARG A 84 -22.737 -16.406 -16.506 1.00 0.54 C ATOM 1397 NH1 ARG A 84 -21.427 -16.602 -16.547 1.00 22.34 N ATOM 1398 NH2 ARG A 84 -23.415 -16.244 -17.635 1.00 10.03 N ATOM 0 H ARG A 84 -21.133 -14.884 -10.141 1.00 34.12 H new ATOM 0 HA ARG A 84 -20.547 -13.485 -12.571 1.00 63.21 H new ATOM 0 HB2 ARG A 84 -22.319 -15.550 -11.607 1.00 43.42 H new ATOM 0 HB3 ARG A 84 -23.277 -14.336 -12.431 1.00 43.42 H new ATOM 0 HG2 ARG A 84 -21.954 -14.570 -14.459 1.00 3.24 H new ATOM 0 HG3 ARG A 84 -20.806 -15.617 -13.649 1.00 3.24 H new ATOM 0 HD2 ARG A 84 -22.068 -17.427 -14.085 1.00 54.34 H new ATOM 0 HD3 ARG A 84 -23.447 -16.710 -13.274 1.00 54.34 H new ATOM 0 HE ARG A 84 -24.379 -16.220 -15.341 1.00 12.32 H new ATOM 0 HH11 ARG A 84 -20.903 -16.727 -15.681 1.00 22.34 H new ATOM 0 HH12 ARG A 84 -20.943 -16.628 -17.445 1.00 22.34 H new ATOM 0 HH21 ARG A 84 -24.423 -16.093 -17.607 1.00 10.03 H new ATOM 0 HH22 ARG A 84 -22.928 -16.270 -18.531 1.00 10.03 H new ATOM 1412 N GLN A 85 -22.844 -12.279 -10.532 1.00 21.32 N ATOM 1413 CA GLN A 85 -23.630 -11.089 -10.224 1.00 21.51 C ATOM 1414 C GLN A 85 -22.751 -9.843 -10.217 1.00 62.12 C ATOM 1415 O GLN A 85 -23.017 -8.879 -10.937 1.00 23.33 O ATOM 1416 CB GLN A 85 -24.323 -11.247 -8.870 1.00 14.34 C ATOM 1417 CG GLN A 85 -25.282 -10.113 -8.541 1.00 21.21 C ATOM 1418 CD GLN A 85 -26.184 -10.434 -7.367 1.00 12.12 C ATOM 1419 OE1 GLN A 85 -27.202 -11.112 -7.517 1.00 64.43 O ATOM 1420 NE2 GLN A 85 -25.817 -9.949 -6.187 1.00 44.21 N ATOM 0 H GLN A 85 -22.920 -13.025 -9.841 1.00 21.32 H new ATOM 0 HA GLN A 85 -24.387 -10.973 -11.000 1.00 21.51 H new ATOM 0 HB2 GLN A 85 -24.871 -12.189 -8.859 1.00 14.34 H new ATOM 0 HB3 GLN A 85 -23.566 -11.309 -8.089 1.00 14.34 H new ATOM 0 HG2 GLN A 85 -24.710 -9.212 -8.319 1.00 21.21 H new ATOM 0 HG3 GLN A 85 -25.894 -9.895 -9.416 1.00 21.21 H new ATOM 0 HE21 GLN A 85 -24.966 -9.392 -6.107 1.00 44.21 H new ATOM 0 HE22 GLN A 85 -26.386 -10.133 -5.361 1.00 44.21 H new ATOM 1429 N LEU A 86 -21.704 -9.868 -9.399 1.00 60.04 N ATOM 1430 CA LEU A 86 -20.786 -8.740 -9.298 1.00 23.05 C ATOM 1431 C LEU A 86 -19.819 -8.716 -10.478 1.00 53.20 C ATOM 1432 O LEU A 86 -19.197 -7.694 -10.764 1.00 52.55 O ATOM 1433 CB LEU A 86 -20.004 -8.810 -7.985 1.00 25.03 C ATOM 1434 CG LEU A 86 -20.671 -8.162 -6.771 1.00 13.12 C ATOM 1435 CD1 LEU A 86 -22.085 -8.691 -6.595 1.00 13.21 C ATOM 1436 CD2 LEU A 86 -19.847 -8.408 -5.516 1.00 20.01 C ATOM 0 H LEU A 86 -21.470 -10.657 -8.797 1.00 60.04 H new ATOM 0 HA LEU A 86 -21.374 -7.822 -9.316 1.00 23.05 H new ATOM 0 HB2 LEU A 86 -19.814 -9.858 -7.754 1.00 25.03 H new ATOM 0 HB3 LEU A 86 -19.034 -8.337 -8.137 1.00 25.03 H new ATOM 0 HG LEU A 86 -20.726 -7.087 -6.940 1.00 13.12 H new ATOM 0 HD11 LEU A 86 -22.545 -8.219 -5.727 1.00 13.21 H new ATOM 0 HD12 LEU A 86 -22.672 -8.463 -7.485 1.00 13.21 H new ATOM 0 HD13 LEU A 86 -22.054 -9.771 -6.447 1.00 13.21 H new ATOM 0 HD21 LEU A 86 -20.336 -7.940 -4.662 1.00 20.01 H new ATOM 0 HD22 LEU A 86 -19.761 -9.481 -5.342 1.00 20.01 H new ATOM 0 HD23 LEU A 86 -18.853 -7.980 -5.644 1.00 20.01 H new ATOM 1448 N GLY A 87 -19.700 -9.851 -11.161 1.00 61.13 N ATOM 1449 CA GLY A 87 -18.809 -9.939 -12.303 1.00 61.23 C ATOM 1450 C GLY A 87 -17.350 -9.806 -11.913 1.00 70.44 C ATOM 1451 O GLY A 87 -16.590 -9.089 -12.562 1.00 4.24 O ATOM 0 H GLY A 87 -20.205 -10.710 -10.944 1.00 61.13 H new ATOM 0 HA2 GLY A 87 -18.962 -10.894 -12.806 1.00 61.23 H new ATOM 0 HA3 GLY A 87 -19.063 -9.157 -13.019 1.00 61.23 H new ATOM 1455 N ARG A 88 -16.958 -10.500 -10.849 1.00 15.23 N ATOM 1456 CA ARG A 88 -15.583 -10.454 -10.371 1.00 30.51 C ATOM 1457 C ARG A 88 -14.914 -11.820 -10.507 1.00 44.32 C ATOM 1458 O ARG A 88 -15.572 -12.859 -10.548 1.00 53.31 O ATOM 1459 CB ARG A 88 -15.541 -9.997 -8.912 1.00 15.02 C ATOM 1460 CG ARG A 88 -15.853 -8.521 -8.727 1.00 60.21 C ATOM 1461 CD ARG A 88 -14.790 -7.643 -9.370 1.00 10.25 C ATOM 1462 NE ARG A 88 -15.047 -6.223 -9.148 1.00 4.41 N ATOM 1463 CZ ARG A 88 -15.912 -5.512 -9.864 1.00 44.32 C ATOM 1464 NH1 ARG A 88 -16.599 -6.086 -10.841 1.00 40.14 N ATOM 1465 NH2 ARG A 88 -16.091 -4.223 -9.602 1.00 20.51 N ATOM 0 H ARG A 88 -17.575 -11.101 -10.302 1.00 15.23 H new ATOM 0 HA ARG A 88 -15.036 -9.737 -10.984 1.00 30.51 H new ATOM 0 HB2 ARG A 88 -16.254 -10.586 -8.335 1.00 15.02 H new ATOM 0 HB3 ARG A 88 -14.552 -10.205 -8.503 1.00 15.02 H new ATOM 0 HG2 ARG A 88 -16.826 -8.296 -9.164 1.00 60.21 H new ATOM 0 HG3 ARG A 88 -15.921 -8.293 -7.663 1.00 60.21 H new ATOM 0 HD2 ARG A 88 -13.812 -7.902 -8.965 1.00 10.25 H new ATOM 0 HD3 ARG A 88 -14.754 -7.842 -10.441 1.00 10.25 H new ATOM 0 HE ARG A 88 -14.535 -5.751 -8.403 1.00 4.41 H new ATOM 0 HH11 ARG A 88 -16.465 -7.076 -11.045 1.00 40.14 H new ATOM 0 HH12 ARG A 88 -17.262 -5.538 -11.389 1.00 40.14 H new ATOM 0 HH21 ARG A 88 -15.564 -3.777 -8.851 1.00 20.51 H new ATOM 0 HH22 ARG A 88 -16.755 -3.678 -10.152 1.00 20.51 H new ATOM 1479 N PRO A 89 -13.575 -11.819 -10.579 1.00 43.44 N ATOM 1480 CA PRO A 89 -12.788 -13.048 -10.711 1.00 21.10 C ATOM 1481 C PRO A 89 -12.817 -13.894 -9.443 1.00 11.41 C ATOM 1482 O PRO A 89 -13.116 -13.394 -8.360 1.00 14.30 O ATOM 1483 CB PRO A 89 -11.371 -12.536 -10.980 1.00 70.32 C ATOM 1484 CG PRO A 89 -11.339 -11.175 -10.373 1.00 73.52 C ATOM 1485 CD PRO A 89 -12.725 -10.617 -10.536 1.00 42.14 C ATOM 0 HA PRO A 89 -13.177 -13.698 -11.495 1.00 21.10 H new ATOM 0 HB2 PRO A 89 -10.622 -13.188 -10.530 1.00 70.32 H new ATOM 0 HB3 PRO A 89 -11.160 -12.498 -12.049 1.00 70.32 H new ATOM 0 HG2 PRO A 89 -11.059 -11.223 -9.321 1.00 73.52 H new ATOM 0 HG3 PRO A 89 -10.603 -10.543 -10.870 1.00 73.52 H new ATOM 0 HD2 PRO A 89 -12.995 -9.964 -9.706 1.00 42.14 H new ATOM 0 HD3 PRO A 89 -12.816 -10.028 -11.449 1.00 42.14 H new ATOM 1493 N GLU A 90 -12.504 -15.178 -9.586 1.00 72.41 N ATOM 1494 CA GLU A 90 -12.495 -16.093 -8.451 1.00 23.32 C ATOM 1495 C GLU A 90 -11.577 -15.579 -7.345 1.00 52.22 C ATOM 1496 O GLU A 90 -11.763 -15.897 -6.170 1.00 61.55 O ATOM 1497 CB GLU A 90 -12.047 -17.487 -8.893 1.00 64.05 C ATOM 1498 CG GLU A 90 -12.995 -18.147 -9.880 1.00 2.23 C ATOM 1499 CD GLU A 90 -12.280 -18.693 -11.101 1.00 54.00 C ATOM 1500 OE1 GLU A 90 -11.136 -19.172 -10.952 1.00 73.25 O ATOM 1501 OE2 GLU A 90 -12.864 -18.643 -12.203 1.00 23.01 O ATOM 0 H GLU A 90 -12.253 -15.608 -10.476 1.00 72.41 H new ATOM 0 HA GLU A 90 -13.510 -16.153 -8.059 1.00 23.32 H new ATOM 0 HB2 GLU A 90 -11.058 -17.415 -9.345 1.00 64.05 H new ATOM 0 HB3 GLU A 90 -11.950 -18.124 -8.014 1.00 64.05 H new ATOM 0 HG2 GLU A 90 -13.525 -18.958 -9.381 1.00 2.23 H new ATOM 0 HG3 GLU A 90 -13.745 -17.423 -10.197 1.00 2.23 H new ATOM 1508 N SER A 91 -10.585 -14.782 -7.730 1.00 42.22 N ATOM 1509 CA SER A 91 -9.635 -14.226 -6.773 1.00 51.43 C ATOM 1510 C SER A 91 -10.312 -13.203 -5.866 1.00 55.41 C ATOM 1511 O SER A 91 -10.251 -13.305 -4.641 1.00 10.33 O ATOM 1512 CB SER A 91 -8.462 -13.576 -7.507 1.00 43.23 C ATOM 1513 OG SER A 91 -7.398 -14.495 -7.683 1.00 65.41 O ATOM 0 H SER A 91 -10.418 -14.507 -8.698 1.00 42.22 H new ATOM 0 HA SER A 91 -9.261 -15.042 -6.155 1.00 51.43 H new ATOM 0 HB2 SER A 91 -8.795 -13.210 -8.478 1.00 43.23 H new ATOM 0 HB3 SER A 91 -8.111 -12.712 -6.944 1.00 43.23 H new ATOM 0 HG SER A 91 -6.661 -14.055 -8.156 1.00 65.41 H new ATOM 1519 N THR A 92 -10.961 -12.217 -6.478 1.00 3.31 N ATOM 1520 CA THR A 92 -11.649 -11.173 -5.728 1.00 34.41 C ATOM 1521 C THR A 92 -12.617 -11.774 -4.714 1.00 41.42 C ATOM 1522 O THR A 92 -12.592 -11.422 -3.534 1.00 41.32 O ATOM 1523 CB THR A 92 -12.424 -10.227 -6.664 1.00 54.22 C ATOM 1524 OG1 THR A 92 -11.522 -9.591 -7.574 1.00 53.22 O ATOM 1525 CG2 THR A 92 -13.176 -9.173 -5.865 1.00 42.41 C ATOM 0 H THR A 92 -11.025 -12.120 -7.491 1.00 3.31 H new ATOM 0 HA THR A 92 -10.883 -10.603 -5.202 1.00 34.41 H new ATOM 0 HB THR A 92 -13.147 -10.818 -7.226 1.00 54.22 H new ATOM 0 HG1 THR A 92 -11.992 -8.879 -8.057 1.00 53.22 H new ATOM 0 HG21 THR A 92 -13.716 -8.516 -6.547 1.00 42.41 H new ATOM 0 HG22 THR A 92 -13.884 -9.661 -5.195 1.00 42.41 H new ATOM 0 HG23 THR A 92 -12.468 -8.586 -5.280 1.00 42.41 H new ATOM 1533 N ILE A 93 -13.468 -12.681 -5.181 1.00 21.40 N ATOM 1534 CA ILE A 93 -14.442 -13.331 -4.314 1.00 14.44 C ATOM 1535 C ILE A 93 -13.753 -14.105 -3.195 1.00 51.10 C ATOM 1536 O ILE A 93 -14.095 -13.956 -2.021 1.00 23.21 O ATOM 1537 CB ILE A 93 -15.348 -14.293 -5.105 1.00 61.11 C ATOM 1538 CG1 ILE A 93 -16.084 -13.539 -6.215 1.00 21.23 C ATOM 1539 CG2 ILE A 93 -16.339 -14.975 -4.174 1.00 1.21 C ATOM 1540 CD1 ILE A 93 -17.045 -12.491 -5.698 1.00 75.41 C ATOM 0 H ILE A 93 -13.503 -12.982 -6.155 1.00 21.40 H new ATOM 0 HA ILE A 93 -15.055 -12.540 -3.882 1.00 14.44 H new ATOM 0 HB ILE A 93 -14.724 -15.060 -5.564 1.00 61.11 H new ATOM 0 HG12 ILE A 93 -15.352 -13.060 -6.865 1.00 21.23 H new ATOM 0 HG13 ILE A 93 -16.634 -14.254 -6.827 1.00 21.23 H new ATOM 0 HG21 ILE A 93 -16.972 -15.651 -4.749 1.00 1.21 H new ATOM 0 HG22 ILE A 93 -15.797 -15.541 -3.417 1.00 1.21 H new ATOM 0 HG23 ILE A 93 -16.960 -14.222 -3.689 1.00 1.21 H new ATOM 0 HD11 ILE A 93 -17.531 -11.997 -6.539 1.00 75.41 H new ATOM 0 HD12 ILE A 93 -17.799 -12.967 -5.071 1.00 75.41 H new ATOM 0 HD13 ILE A 93 -16.498 -11.754 -5.111 1.00 75.41 H new ATOM 1552 N TYR A 94 -12.781 -14.930 -3.566 1.00 44.40 N ATOM 1553 CA TYR A 94 -12.044 -15.728 -2.594 1.00 24.25 C ATOM 1554 C TYR A 94 -11.502 -14.852 -1.469 1.00 12.24 C ATOM 1555 O TYR A 94 -11.395 -15.289 -0.322 1.00 74.21 O ATOM 1556 CB TYR A 94 -10.892 -16.467 -3.278 1.00 51.04 C ATOM 1557 CG TYR A 94 -10.269 -17.545 -2.419 1.00 53.42 C ATOM 1558 CD1 TYR A 94 -9.392 -17.222 -1.392 1.00 44.11 C ATOM 1559 CD2 TYR A 94 -10.560 -18.887 -2.636 1.00 12.12 C ATOM 1560 CE1 TYR A 94 -8.819 -18.204 -0.606 1.00 12.52 C ATOM 1561 CE2 TYR A 94 -9.994 -19.875 -1.853 1.00 2.12 C ATOM 1562 CZ TYR A 94 -9.124 -19.528 -0.841 1.00 14.23 C ATOM 1563 OH TYR A 94 -8.558 -20.509 -0.059 1.00 22.52 O ATOM 0 H TYR A 94 -12.485 -15.064 -4.533 1.00 44.40 H new ATOM 0 HA TYR A 94 -12.732 -16.457 -2.165 1.00 24.25 H new ATOM 0 HB2 TYR A 94 -11.257 -16.916 -4.202 1.00 51.04 H new ATOM 0 HB3 TYR A 94 -10.123 -15.746 -3.556 1.00 51.04 H new ATOM 0 HD1 TYR A 94 -9.153 -16.186 -1.204 1.00 44.11 H new ATOM 0 HD2 TYR A 94 -11.239 -19.162 -3.429 1.00 12.12 H new ATOM 0 HE1 TYR A 94 -8.137 -17.936 0.187 1.00 12.52 H new ATOM 0 HE2 TYR A 94 -10.232 -20.913 -2.033 1.00 2.12 H new ATOM 0 HH TYR A 94 -8.877 -21.387 -0.354 1.00 22.52 H new