USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 528 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 38 GLN : amide:sc= -0.775 K(o=-5.8,f=-9.4!) USER MOD Set 1.2: A 77 MET CE :methyl 165:sc= -5! (180deg=-4.46!) USER MOD Single : A 17 THR OG1 : rot 38:sc= 0.225 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.856 X(o=-0.86,f=-0.47) USER MOD Single : A 45 THR OG1 : rot -149:sc= 0.0142 USER MOD Single : A 46 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-3.1!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.305 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= -0.596 (180deg=-1.77!) USER MOD Single : A 79 MET CE :methyl -176:sc= -0.811 (180deg=-0.873) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc=-0.00258 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ -158:sc= -0.047 (180deg=-0.338) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.254 4.466 1.651 1.00 0.00 N ATOM 203 CA THR A 17 3.917 3.266 2.147 1.00 0.00 C ATOM 204 C THR A 17 3.017 2.500 3.110 1.00 0.00 C ATOM 205 O THR A 17 2.163 3.084 3.776 1.00 0.00 O ATOM 206 CB THR A 17 5.238 3.609 2.860 1.00 0.00 C ATOM 207 OG1 THR A 17 6.004 4.519 2.062 1.00 0.00 O ATOM 208 CG2 THR A 17 6.052 2.351 3.124 1.00 0.00 C ATOM 0 HA THR A 17 4.132 2.642 1.280 1.00 0.00 H new ATOM 0 HB THR A 17 4.999 4.076 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.402 5.159 1.627 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.981 2.618 3.628 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.478 1.672 3.755 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.281 1.860 2.178 1.00 0.00 H new ATOM 216 N VAL A 18 3.215 1.187 3.179 1.00 0.00 N ATOM 217 CA VAL A 18 2.422 0.340 4.062 1.00 0.00 C ATOM 218 C VAL A 18 3.288 -0.276 5.155 1.00 0.00 C ATOM 219 O VAL A 18 4.466 -0.565 4.940 1.00 0.00 O ATOM 220 CB VAL A 18 1.722 -0.787 3.280 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.189 -0.265 1.954 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.674 -1.953 3.060 1.00 0.00 C ATOM 0 H VAL A 18 3.918 0.687 2.634 1.00 0.00 H new ATOM 0 HA VAL A 18 1.666 0.979 4.518 1.00 0.00 H new ATOM 0 HB VAL A 18 0.877 -1.144 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.698 -1.075 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.472 0.535 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.015 0.120 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.163 -2.740 2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.540 -1.613 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.002 -2.342 4.024 1.00 0.00 H new ATOM 232 N TYR A 19 2.697 -0.477 6.328 1.00 0.00 N ATOM 233 CA TYR A 19 3.415 -1.058 7.456 1.00 0.00 C ATOM 234 C TYR A 19 3.103 -2.545 7.593 1.00 0.00 C ATOM 235 O TYR A 19 2.040 -2.925 8.085 1.00 0.00 O ATOM 236 CB TYR A 19 3.052 -0.327 8.750 1.00 0.00 C ATOM 237 CG TYR A 19 3.844 -0.792 9.951 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.593 -2.026 10.538 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.842 0.003 10.499 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.313 -2.455 11.636 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.569 -0.418 11.596 1.00 0.00 C ATOM 242 CZ TYR A 19 5.301 -1.648 12.161 1.00 0.00 C ATOM 243 OH TYR A 19 6.021 -2.070 13.254 1.00 0.00 O ATOM 0 H TYR A 19 1.723 -0.246 6.522 1.00 0.00 H new ATOM 0 HA TYR A 19 4.483 -0.945 7.271 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.213 0.742 8.611 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.990 -0.466 8.950 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.821 -2.661 10.129 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.054 0.967 10.060 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.104 -3.417 12.081 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.343 0.212 12.009 1.00 0.00 H new ATOM 0 HH TYR A 19 6.678 -1.385 13.497 1.00 0.00 H new ATOM 253 N VAL A 20 4.037 -3.382 7.155 1.00 0.00 N ATOM 254 CA VAL A 20 3.864 -4.828 7.230 1.00 0.00 C ATOM 255 C VAL A 20 4.436 -5.383 8.529 1.00 0.00 C ATOM 256 O VAL A 20 5.647 -5.363 8.745 1.00 0.00 O ATOM 257 CB VAL A 20 4.539 -5.536 6.040 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.283 -7.034 6.096 1.00 0.00 C ATOM 259 CG2 VAL A 20 4.048 -4.951 4.724 1.00 0.00 C ATOM 0 H VAL A 20 4.922 -3.084 6.744 1.00 0.00 H new ATOM 0 HA VAL A 20 2.792 -5.021 7.197 1.00 0.00 H new ATOM 0 HB VAL A 20 5.615 -5.373 6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.767 -7.518 5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.688 -7.438 7.024 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.210 -7.221 6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.535 -5.463 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.969 -5.082 4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.288 -3.888 4.686 1.00 0.00 H new ATOM 269 N GLY A 21 3.556 -5.881 9.392 1.00 0.00 N ATOM 270 CA GLY A 21 3.992 -6.436 10.660 1.00 0.00 C ATOM 271 C GLY A 21 3.510 -7.858 10.867 1.00 0.00 C ATOM 272 O GLY A 21 2.348 -8.171 10.612 1.00 0.00 O ATOM 0 H GLY A 21 2.548 -5.910 9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.081 -6.414 10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.625 -5.809 11.473 1.00 0.00 H new ATOM 276 N GLY A 22 4.407 -8.724 11.330 1.00 0.00 N ATOM 277 CA GLY A 22 4.048 -10.111 11.561 1.00 0.00 C ATOM 278 C GLY A 22 4.438 -11.011 10.405 1.00 0.00 C ATOM 279 O GLY A 22 3.635 -11.822 9.942 1.00 0.00 O ATOM 0 H GLY A 22 5.375 -8.490 11.549 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.534 -10.462 12.471 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.973 -10.182 11.726 1.00 0.00 H new ATOM 283 N LEU A 23 5.673 -10.868 9.936 1.00 0.00 N ATOM 284 CA LEU A 23 6.168 -11.674 8.826 1.00 0.00 C ATOM 285 C LEU A 23 6.950 -12.880 9.334 1.00 0.00 C ATOM 286 O LEU A 23 7.489 -12.862 10.441 1.00 0.00 O ATOM 287 CB LEU A 23 7.053 -10.827 7.910 1.00 0.00 C ATOM 288 CG LEU A 23 6.393 -9.596 7.289 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.446 -8.646 6.739 1.00 0.00 C ATOM 290 CD2 LEU A 23 5.420 -10.008 6.193 1.00 0.00 C ATOM 0 H LEU A 23 6.350 -10.201 10.307 1.00 0.00 H new ATOM 0 HA LEU A 23 5.309 -12.034 8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.923 -10.500 8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.421 -11.463 7.104 1.00 0.00 H new ATOM 0 HG LEU A 23 5.834 -9.076 8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.958 -7.776 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.104 -8.325 7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.032 -9.156 5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.960 -9.119 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.957 -10.552 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.646 -10.649 6.616 1.00 0.00 H new ATOM 302 N ASP A 24 7.008 -13.927 8.519 1.00 0.00 N ATOM 303 CA ASP A 24 7.727 -15.142 8.884 1.00 0.00 C ATOM 304 C ASP A 24 9.048 -15.241 8.126 1.00 0.00 C ATOM 305 O ASP A 24 9.363 -14.388 7.298 1.00 0.00 O ATOM 306 CB ASP A 24 6.868 -16.375 8.600 1.00 0.00 C ATOM 307 CG ASP A 24 7.341 -17.598 9.359 1.00 0.00 C ATOM 308 OD1 ASP A 24 8.013 -17.429 10.398 1.00 0.00 O ATOM 309 OD2 ASP A 24 7.037 -18.725 8.915 1.00 0.00 O ATOM 0 H ASP A 24 6.566 -13.959 7.601 1.00 0.00 H new ATOM 0 HA ASP A 24 7.944 -15.099 9.951 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.833 -16.163 8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.883 -16.586 7.531 1.00 0.00 H new ATOM 314 N GLU A 25 9.814 -16.288 8.417 1.00 0.00 N ATOM 315 CA GLU A 25 11.101 -16.497 7.764 1.00 0.00 C ATOM 316 C GLU A 25 10.938 -16.551 6.247 1.00 0.00 C ATOM 317 O GLU A 25 11.709 -15.941 5.506 1.00 0.00 O ATOM 318 CB GLU A 25 11.749 -17.789 8.265 1.00 0.00 C ATOM 319 CG GLU A 25 10.888 -19.023 8.054 1.00 0.00 C ATOM 320 CD GLU A 25 11.202 -20.129 9.042 1.00 0.00 C ATOM 321 OE1 GLU A 25 10.647 -20.103 10.160 1.00 0.00 O ATOM 322 OE2 GLU A 25 12.004 -21.023 8.696 1.00 0.00 O ATOM 0 H GLU A 25 9.566 -17.004 9.100 1.00 0.00 H new ATOM 0 HA GLU A 25 11.747 -15.655 8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.702 -17.929 7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.969 -17.687 9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.837 -18.748 8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.034 -19.395 7.040 1.00 0.00 H new ATOM 329 N LYS A 26 9.930 -17.286 5.792 1.00 0.00 N ATOM 330 CA LYS A 26 9.664 -17.422 4.365 1.00 0.00 C ATOM 331 C LYS A 26 9.586 -16.054 3.694 1.00 0.00 C ATOM 332 O LYS A 26 10.173 -15.837 2.634 1.00 0.00 O ATOM 333 CB LYS A 26 8.358 -18.187 4.139 1.00 0.00 C ATOM 334 CG LYS A 26 8.496 -19.690 4.312 1.00 0.00 C ATOM 335 CD LYS A 26 7.205 -20.412 3.966 1.00 0.00 C ATOM 336 CE LYS A 26 7.148 -20.774 2.490 1.00 0.00 C ATOM 337 NZ LYS A 26 6.095 -21.790 2.208 1.00 0.00 N ATOM 0 H LYS A 26 9.283 -17.798 6.392 1.00 0.00 H new ATOM 0 HA LYS A 26 10.487 -17.981 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.605 -17.817 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.993 -17.977 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.301 -20.058 3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.775 -19.915 5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.121 -21.317 4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.354 -19.780 4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.953 -19.876 1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.117 -21.158 2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.088 -22.010 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.295 -22.656 2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.166 -21.414 2.487 1.00 0.00 H new ATOM 351 N VAL A 27 8.859 -15.133 4.319 1.00 0.00 N ATOM 352 CA VAL A 27 8.707 -13.786 3.784 1.00 0.00 C ATOM 353 C VAL A 27 10.053 -13.205 3.366 1.00 0.00 C ATOM 354 O VAL A 27 11.059 -13.389 4.050 1.00 0.00 O ATOM 355 CB VAL A 27 8.051 -12.844 4.812 1.00 0.00 C ATOM 356 CG1 VAL A 27 7.909 -11.443 4.238 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.701 -13.390 5.249 1.00 0.00 C ATOM 0 H VAL A 27 8.366 -15.296 5.197 1.00 0.00 H new ATOM 0 HA VAL A 27 8.061 -13.864 2.910 1.00 0.00 H new ATOM 0 HB VAL A 27 8.695 -12.787 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.444 -10.792 4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.894 -11.054 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.287 -11.478 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.252 -12.712 5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.046 -13.478 4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.835 -14.371 5.704 1.00 0.00 H new ATOM 367 N SER A 28 10.064 -12.504 2.237 1.00 0.00 N ATOM 368 CA SER A 28 11.287 -11.899 1.724 1.00 0.00 C ATOM 369 C SER A 28 11.004 -10.525 1.125 1.00 0.00 C ATOM 370 O SER A 28 9.850 -10.151 0.922 1.00 0.00 O ATOM 371 CB SER A 28 11.928 -12.805 0.671 1.00 0.00 C ATOM 372 OG SER A 28 12.118 -14.116 1.174 1.00 0.00 O ATOM 0 H SER A 28 9.239 -12.341 1.660 1.00 0.00 H new ATOM 0 HA SER A 28 11.979 -11.777 2.557 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.296 -12.841 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.887 -12.388 0.363 1.00 0.00 H new ATOM 0 HG SER A 28 12.528 -14.676 0.482 1.00 0.00 H new ATOM 378 N GLU A 29 12.068 -9.778 0.844 1.00 0.00 N ATOM 379 CA GLU A 29 11.933 -8.445 0.268 1.00 0.00 C ATOM 380 C GLU A 29 11.281 -8.510 -1.110 1.00 0.00 C ATOM 381 O GLU A 29 10.264 -7.869 -1.374 1.00 0.00 O ATOM 382 CB GLU A 29 13.303 -7.770 0.165 1.00 0.00 C ATOM 383 CG GLU A 29 13.649 -6.908 1.367 1.00 0.00 C ATOM 384 CD GLU A 29 15.137 -6.878 1.655 1.00 0.00 C ATOM 385 OE1 GLU A 29 15.652 -7.863 2.224 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.787 -5.869 1.310 1.00 0.00 O ATOM 0 H GLU A 29 13.031 -10.073 1.006 1.00 0.00 H new ATOM 0 HA GLU A 29 11.293 -7.856 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.068 -8.537 0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.328 -7.153 -0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.296 -5.891 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.121 -7.284 2.243 1.00 0.00 H new ATOM 393 N PRO A 30 11.880 -9.304 -2.010 1.00 0.00 N ATOM 394 CA PRO A 30 11.375 -9.473 -3.376 1.00 0.00 C ATOM 395 C PRO A 30 10.063 -10.250 -3.418 1.00 0.00 C ATOM 396 O PRO A 30 9.535 -10.540 -4.492 1.00 0.00 O ATOM 397 CB PRO A 30 12.487 -10.264 -4.070 1.00 0.00 C ATOM 398 CG PRO A 30 13.176 -10.994 -2.969 1.00 0.00 C ATOM 399 CD PRO A 30 13.095 -10.099 -1.764 1.00 0.00 C ATOM 0 HA PRO A 30 11.154 -8.516 -3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.080 -10.954 -4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.174 -9.602 -4.597 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.695 -11.953 -2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.213 -11.204 -3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.019 -10.674 -0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.978 -9.466 -1.674 1.00 0.00 H new ATOM 407 N LEU A 31 9.542 -10.584 -2.243 1.00 0.00 N ATOM 408 CA LEU A 31 8.290 -11.327 -2.145 1.00 0.00 C ATOM 409 C LEU A 31 7.100 -10.379 -2.046 1.00 0.00 C ATOM 410 O LEU A 31 6.116 -10.522 -2.773 1.00 0.00 O ATOM 411 CB LEU A 31 8.319 -12.256 -0.929 1.00 0.00 C ATOM 412 CG LEU A 31 7.025 -13.013 -0.632 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.759 -14.059 -1.703 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.090 -13.660 0.744 1.00 0.00 C ATOM 0 H LEU A 31 9.966 -10.352 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 31 8.180 -11.925 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.118 -12.984 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.580 -11.665 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 31 6.200 -12.300 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.834 -14.587 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.668 -13.571 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.585 -14.770 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.160 -14.195 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.925 -14.360 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.231 -12.890 1.502 1.00 0.00 H new ATOM 426 N LEU A 32 7.197 -9.409 -1.143 1.00 0.00 N ATOM 427 CA LEU A 32 6.129 -8.434 -0.950 1.00 0.00 C ATOM 428 C LEU A 32 5.881 -7.637 -2.228 1.00 0.00 C ATOM 429 O LEU A 32 4.736 -7.381 -2.599 1.00 0.00 O ATOM 430 CB LEU A 32 6.479 -7.484 0.197 1.00 0.00 C ATOM 431 CG LEU A 32 7.105 -8.129 1.434 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.409 -7.076 2.488 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.186 -9.202 1.999 1.00 0.00 C ATOM 0 H LEU A 32 8.004 -9.277 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 32 5.217 -8.976 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.167 -6.727 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.571 -6.965 0.503 1.00 0.00 H new ATOM 0 HG LEU A 32 8.043 -8.601 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.854 -7.553 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.106 -6.344 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.486 -6.575 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.648 -9.650 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.232 -8.754 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.019 -9.972 1.245 1.00 0.00 H new ATOM 445 N TRP A 33 6.962 -7.250 -2.895 1.00 0.00 N ATOM 446 CA TRP A 33 6.862 -6.484 -4.133 1.00 0.00 C ATOM 447 C TRP A 33 5.786 -7.063 -5.046 1.00 0.00 C ATOM 448 O TRP A 33 4.736 -6.454 -5.245 1.00 0.00 O ATOM 449 CB TRP A 33 8.209 -6.468 -4.857 1.00 0.00 C ATOM 450 CG TRP A 33 8.359 -5.318 -5.806 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.437 -4.876 -6.711 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.501 -4.465 -5.944 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.937 -3.799 -7.403 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.201 -3.527 -6.951 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.746 -4.401 -5.314 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.102 -2.540 -7.341 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.640 -3.421 -5.702 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.314 -2.500 -6.707 1.00 0.00 C ATOM 0 H TRP A 33 7.917 -7.453 -2.600 1.00 0.00 H new ATOM 0 HA TRP A 33 6.583 -5.462 -3.877 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.010 -6.427 -4.119 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.329 -7.402 -5.407 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.459 -5.309 -6.861 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.446 -3.285 -8.135 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.006 -5.105 -4.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.853 -1.831 -8.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.606 -3.364 -5.223 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.033 -1.744 -6.986 1.00 0.00 H new ATOM 469 N GLU A 34 6.056 -8.242 -5.597 1.00 0.00 N ATOM 470 CA GLU A 34 5.110 -8.901 -6.490 1.00 0.00 C ATOM 471 C GLU A 34 3.804 -9.213 -5.764 1.00 0.00 C ATOM 472 O GLU A 34 2.716 -8.999 -6.301 1.00 0.00 O ATOM 473 CB GLU A 34 5.715 -10.191 -7.048 1.00 0.00 C ATOM 474 CG GLU A 34 4.760 -10.981 -7.927 1.00 0.00 C ATOM 475 CD GLU A 34 5.190 -12.424 -8.105 1.00 0.00 C ATOM 476 OE1 GLU A 34 6.198 -12.662 -8.802 1.00 0.00 O ATOM 477 OE2 GLU A 34 4.517 -13.316 -7.546 1.00 0.00 O ATOM 0 H GLU A 34 6.921 -8.760 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 34 4.895 -8.222 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.606 -9.944 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.036 -10.820 -6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.762 -10.954 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.692 -10.503 -8.904 1.00 0.00 H new ATOM 484 N LEU A 35 3.920 -9.719 -4.541 1.00 0.00 N ATOM 485 CA LEU A 35 2.749 -10.061 -3.741 1.00 0.00 C ATOM 486 C LEU A 35 1.847 -8.846 -3.548 1.00 0.00 C ATOM 487 O LEU A 35 0.640 -8.981 -3.347 1.00 0.00 O ATOM 488 CB LEU A 35 3.180 -10.611 -2.380 1.00 0.00 C ATOM 489 CG LEU A 35 2.084 -10.709 -1.318 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.070 -11.778 -1.694 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.690 -11.002 0.047 1.00 0.00 C ATOM 0 H LEU A 35 4.812 -9.901 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 35 2.186 -10.827 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.603 -11.604 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.979 -9.979 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 35 1.568 -9.751 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.298 -11.833 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.613 -11.526 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.571 -12.743 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.896 -11.068 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.232 -11.947 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.377 -10.201 0.320 1.00 0.00 H new ATOM 503 N PHE A 36 2.441 -7.659 -3.613 1.00 0.00 N ATOM 504 CA PHE A 36 1.692 -6.419 -3.447 1.00 0.00 C ATOM 505 C PHE A 36 1.291 -5.840 -4.801 1.00 0.00 C ATOM 506 O PHE A 36 0.270 -5.161 -4.921 1.00 0.00 O ATOM 507 CB PHE A 36 2.522 -5.396 -2.668 1.00 0.00 C ATOM 508 CG PHE A 36 2.350 -5.494 -1.179 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.741 -6.635 -0.497 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.798 -4.445 -0.462 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.583 -6.728 0.873 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.638 -4.532 0.908 1.00 0.00 C ATOM 513 CZ PHE A 36 2.032 -5.674 1.577 1.00 0.00 C ATOM 0 H PHE A 36 3.439 -7.530 -3.779 1.00 0.00 H new ATOM 0 HA PHE A 36 0.786 -6.645 -2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.575 -5.532 -2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.246 -4.393 -2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.174 -7.461 -1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.489 -3.549 -0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.890 -7.624 1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.205 -3.707 1.455 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.910 -5.743 2.648 1.00 0.00 H new ATOM 523 N LEU A 37 2.102 -6.112 -5.817 1.00 0.00 N ATOM 524 CA LEU A 37 1.834 -5.618 -7.163 1.00 0.00 C ATOM 525 C LEU A 37 0.345 -5.695 -7.485 1.00 0.00 C ATOM 526 O LEU A 37 -0.180 -4.874 -8.237 1.00 0.00 O ATOM 527 CB LEU A 37 2.631 -6.423 -8.191 1.00 0.00 C ATOM 528 CG LEU A 37 4.092 -6.013 -8.378 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.713 -6.765 -9.545 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.202 -4.510 -8.590 1.00 0.00 C ATOM 0 H LEU A 37 2.951 -6.672 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 37 2.144 -4.574 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.604 -7.473 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.127 -6.345 -9.154 1.00 0.00 H new ATOM 0 HG LEU A 37 4.640 -6.273 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.753 -6.460 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.669 -7.837 -9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.163 -6.538 -10.458 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.249 -4.237 -8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.639 -4.226 -9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.797 -3.990 -7.722 1.00 0.00 H new ATOM 542 N GLN A 38 -0.329 -6.685 -6.909 1.00 0.00 N ATOM 543 CA GLN A 38 -1.759 -6.867 -7.134 1.00 0.00 C ATOM 544 C GLN A 38 -2.529 -5.593 -6.802 1.00 0.00 C ATOM 545 O GLN A 38 -3.401 -5.168 -7.559 1.00 0.00 O ATOM 546 CB GLN A 38 -2.285 -8.029 -6.290 1.00 0.00 C ATOM 547 CG GLN A 38 -1.647 -8.119 -4.913 1.00 0.00 C ATOM 548 CD GLN A 38 -2.351 -9.110 -4.007 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.375 -8.795 -3.399 1.00 0.00 O ATOM 550 NE2 GLN A 38 -1.806 -10.317 -3.912 1.00 0.00 N ATOM 0 H GLN A 38 0.091 -7.373 -6.284 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.909 -7.096 -8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.364 -7.924 -6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.110 -8.963 -6.824 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.602 -8.409 -5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.659 -7.134 -4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.957 -10.536 -4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.236 -11.026 -3.318 1.00 0.00 H new ATOM 559 N ALA A 39 -2.200 -4.988 -5.665 1.00 0.00 N ATOM 560 CA ALA A 39 -2.859 -3.761 -5.234 1.00 0.00 C ATOM 561 C ALA A 39 -2.468 -2.586 -6.123 1.00 0.00 C ATOM 562 O ALA A 39 -3.316 -1.793 -6.530 1.00 0.00 O ATOM 563 CB ALA A 39 -2.521 -3.462 -3.781 1.00 0.00 C ATOM 0 H ALA A 39 -1.481 -5.328 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.936 -3.906 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.020 -2.543 -3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.858 -4.286 -3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.443 -3.342 -3.675 1.00 0.00 H new ATOM 569 N GLY A 40 -1.176 -2.479 -6.421 1.00 0.00 N ATOM 570 CA GLY A 40 -0.695 -1.397 -7.259 1.00 0.00 C ATOM 571 C GLY A 40 0.747 -1.590 -7.685 1.00 0.00 C ATOM 572 O GLY A 40 1.414 -2.543 -7.280 1.00 0.00 O ATOM 0 H GLY A 40 -0.454 -3.123 -6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.325 -1.320 -8.145 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.788 -0.455 -6.719 1.00 0.00 H new ATOM 576 N PRO A 41 1.250 -0.670 -8.522 1.00 0.00 N ATOM 577 CA PRO A 41 2.627 -0.723 -9.021 1.00 0.00 C ATOM 578 C PRO A 41 3.651 -0.431 -7.930 1.00 0.00 C ATOM 579 O PRO A 41 4.086 0.708 -7.760 1.00 0.00 O ATOM 580 CB PRO A 41 2.658 0.372 -10.090 1.00 0.00 C ATOM 581 CG PRO A 41 1.586 1.325 -9.688 1.00 0.00 C ATOM 582 CD PRO A 41 0.512 0.492 -9.044 1.00 0.00 C ATOM 0 HA PRO A 41 2.887 -1.713 -9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.631 0.863 -10.126 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.471 -0.038 -11.082 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.969 2.073 -8.994 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.197 1.863 -10.553 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.004 1.036 -8.248 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.251 0.194 -9.763 1.00 0.00 H new ATOM 590 N VAL A 42 4.034 -1.468 -7.191 1.00 0.00 N ATOM 591 CA VAL A 42 5.008 -1.324 -6.117 1.00 0.00 C ATOM 592 C VAL A 42 6.296 -0.686 -6.625 1.00 0.00 C ATOM 593 O VAL A 42 6.833 -1.085 -7.659 1.00 0.00 O ATOM 594 CB VAL A 42 5.340 -2.683 -5.474 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.396 -2.518 -4.391 1.00 0.00 C ATOM 596 CG2 VAL A 42 4.083 -3.327 -4.909 1.00 0.00 C ATOM 0 H VAL A 42 3.684 -2.418 -7.317 1.00 0.00 H new ATOM 0 HA VAL A 42 4.557 -0.676 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 42 5.743 -3.340 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.618 -3.489 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.304 -2.103 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.024 -1.844 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.337 -4.287 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.649 -2.674 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.362 -3.482 -5.711 1.00 0.00 H new ATOM 606 N VAL A 43 6.789 0.307 -5.892 1.00 0.00 N ATOM 607 CA VAL A 43 8.016 0.999 -6.267 1.00 0.00 C ATOM 608 C VAL A 43 9.242 0.283 -5.714 1.00 0.00 C ATOM 609 O VAL A 43 10.161 -0.060 -6.457 1.00 0.00 O ATOM 610 CB VAL A 43 8.015 2.455 -5.764 1.00 0.00 C ATOM 611 CG1 VAL A 43 9.048 3.280 -6.515 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.629 3.066 -5.904 1.00 0.00 C ATOM 0 H VAL A 43 6.357 0.650 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 43 8.059 0.998 -7.356 1.00 0.00 H new ATOM 0 HB VAL A 43 8.283 2.456 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.033 4.306 -6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.039 2.853 -6.358 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.814 3.274 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.647 4.095 -5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.330 3.054 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.916 2.488 -5.316 1.00 0.00 H new ATOM 622 N ASN A 44 9.250 0.059 -4.404 1.00 0.00 N ATOM 623 CA ASN A 44 10.364 -0.618 -3.751 1.00 0.00 C ATOM 624 C ASN A 44 9.945 -1.169 -2.391 1.00 0.00 C ATOM 625 O ASN A 44 9.033 -0.645 -1.750 1.00 0.00 O ATOM 626 CB ASN A 44 11.543 0.343 -3.582 1.00 0.00 C ATOM 627 CG ASN A 44 12.519 -0.121 -2.518 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.483 -0.828 -2.810 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.272 0.278 -1.275 1.00 0.00 N ATOM 0 H ASN A 44 8.497 0.337 -3.774 1.00 0.00 H new ATOM 0 HA ASN A 44 10.670 -1.452 -4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.066 0.442 -4.533 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.167 1.332 -3.320 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.894 -0.002 -0.517 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.460 0.864 -1.079 1.00 0.00 H new ATOM 636 N THR A 45 10.617 -2.230 -1.956 1.00 0.00 N ATOM 637 CA THR A 45 10.314 -2.853 -0.673 1.00 0.00 C ATOM 638 C THR A 45 11.409 -2.568 0.348 1.00 0.00 C ATOM 639 O THR A 45 12.596 -2.581 0.021 1.00 0.00 O ATOM 640 CB THR A 45 10.145 -4.377 -0.815 1.00 0.00 C ATOM 641 OG1 THR A 45 11.366 -4.965 -1.277 1.00 0.00 O ATOM 642 CG2 THR A 45 9.019 -4.709 -1.783 1.00 0.00 C ATOM 0 H THR A 45 11.375 -2.676 -2.473 1.00 0.00 H new ATOM 0 HA THR A 45 9.375 -2.421 -0.326 1.00 0.00 H new ATOM 0 HB THR A 45 9.894 -4.785 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.164 -5.758 -1.816 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.919 -5.791 -1.867 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.085 -4.285 -1.414 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.246 -4.289 -2.763 1.00 0.00 H new ATOM 650 N HIS A 46 11.003 -2.311 1.588 1.00 0.00 N ATOM 651 CA HIS A 46 11.951 -2.024 2.659 1.00 0.00 C ATOM 652 C HIS A 46 11.750 -2.978 3.832 1.00 0.00 C ATOM 653 O HIS A 46 10.642 -3.116 4.350 1.00 0.00 O ATOM 654 CB HIS A 46 11.797 -0.578 3.131 1.00 0.00 C ATOM 655 CG HIS A 46 12.852 -0.150 4.103 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.146 -0.852 5.253 1.00 0.00 N ATOM 657 CD2 HIS A 46 13.687 0.916 4.092 1.00 0.00 C ATOM 658 CE1 HIS A 46 14.114 -0.236 5.907 1.00 0.00 C ATOM 659 NE2 HIS A 46 14.461 0.839 5.223 1.00 0.00 N ATOM 0 H HIS A 46 10.024 -2.296 1.876 1.00 0.00 H new ATOM 0 HA HIS A 46 12.958 -2.165 2.267 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.823 0.083 2.265 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.818 -0.458 3.594 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.735 1.684 3.334 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.548 -0.557 6.842 1.00 0.00 H new ATOM 0 HE2 HIS A 46 15.186 1.504 5.491 1.00 0.00 H new ATOM 667 N MET A 47 12.829 -3.636 4.245 1.00 0.00 N ATOM 668 CA MET A 47 12.771 -4.577 5.358 1.00 0.00 C ATOM 669 C MET A 47 14.012 -4.458 6.236 1.00 0.00 C ATOM 670 O MET A 47 15.117 -4.833 5.844 1.00 0.00 O ATOM 671 CB MET A 47 12.636 -6.009 4.836 1.00 0.00 C ATOM 672 CG MET A 47 11.195 -6.457 4.656 1.00 0.00 C ATOM 673 SD MET A 47 10.518 -7.229 6.138 1.00 0.00 S ATOM 674 CE MET A 47 11.025 -8.930 5.896 1.00 0.00 C ATOM 0 H MET A 47 13.753 -3.535 3.826 1.00 0.00 H new ATOM 0 HA MET A 47 11.897 -4.334 5.962 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.155 -6.089 3.881 1.00 0.00 H new ATOM 0 HB3 MET A 47 13.135 -6.688 5.528 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.582 -5.597 4.387 1.00 0.00 H new ATOM 0 HG3 MET A 47 11.138 -7.161 3.826 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.679 -9.535 6.734 1.00 0.00 H new ATOM 0 HE2 MET A 47 10.593 -9.310 4.970 1.00 0.00 H new ATOM 0 HE3 MET A 47 12.112 -8.981 5.836 1.00 0.00 H new ATOM 684 N PRO A 48 13.828 -3.924 7.453 1.00 0.00 N ATOM 685 CA PRO A 48 14.923 -3.744 8.411 1.00 0.00 C ATOM 686 C PRO A 48 15.434 -5.070 8.963 1.00 0.00 C ATOM 687 O PRO A 48 14.669 -6.018 9.139 1.00 0.00 O ATOM 688 CB PRO A 48 14.284 -2.912 9.526 1.00 0.00 C ATOM 689 CG PRO A 48 12.829 -3.220 9.443 1.00 0.00 C ATOM 690 CD PRO A 48 12.538 -3.456 7.986 1.00 0.00 C ATOM 0 HA PRO A 48 15.793 -3.273 7.953 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.690 -3.179 10.502 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.472 -1.848 9.383 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.582 -4.099 10.038 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.233 -2.394 9.831 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.753 -4.199 7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.205 -2.544 7.490 1.00 0.00 H new ATOM 851 N TYR A 59 8.825 -7.658 10.214 1.00 0.00 N ATOM 852 CA TYR A 59 8.029 -6.564 9.672 1.00 0.00 C ATOM 853 C TYR A 59 8.735 -5.912 8.487 1.00 0.00 C ATOM 854 O TYR A 59 9.959 -5.789 8.470 1.00 0.00 O ATOM 855 CB TYR A 59 7.754 -5.520 10.755 1.00 0.00 C ATOM 856 CG TYR A 59 8.968 -4.697 11.125 1.00 0.00 C ATOM 857 CD1 TYR A 59 9.956 -5.215 11.952 1.00 0.00 C ATOM 858 CD2 TYR A 59 9.126 -3.403 10.645 1.00 0.00 C ATOM 859 CE1 TYR A 59 11.066 -4.467 12.293 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.234 -2.648 10.980 1.00 0.00 C ATOM 861 CZ TYR A 59 11.201 -3.184 11.805 1.00 0.00 C ATOM 862 OH TYR A 59 12.306 -2.436 12.141 1.00 0.00 O ATOM 0 HA TYR A 59 7.081 -6.975 9.325 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.964 -4.852 10.412 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.381 -6.023 11.647 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.855 -6.220 12.335 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.371 -2.980 9.999 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.824 -4.885 12.939 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.342 -1.644 10.598 1.00 0.00 H new ATOM 0 HH TYR A 59 13.070 -3.031 12.291 1.00 0.00 H new ATOM 872 N GLY A 60 7.952 -5.494 7.497 1.00 0.00 N ATOM 873 CA GLY A 60 8.519 -4.858 6.321 1.00 0.00 C ATOM 874 C GLY A 60 7.727 -3.643 5.882 1.00 0.00 C ATOM 875 O GLY A 60 6.943 -3.091 6.654 1.00 0.00 O ATOM 0 H GLY A 60 6.936 -5.584 7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.547 -4.562 6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.556 -5.579 5.504 1.00 0.00 H new ATOM 879 N PHE A 61 7.934 -3.222 4.638 1.00 0.00 N ATOM 880 CA PHE A 61 7.236 -2.062 4.098 1.00 0.00 C ATOM 881 C PHE A 61 7.168 -2.128 2.575 1.00 0.00 C ATOM 882 O PHE A 61 8.060 -2.675 1.926 1.00 0.00 O ATOM 883 CB PHE A 61 7.934 -0.772 4.532 1.00 0.00 C ATOM 884 CG PHE A 61 8.040 -0.620 6.023 1.00 0.00 C ATOM 885 CD1 PHE A 61 9.082 -1.210 6.720 1.00 0.00 C ATOM 886 CD2 PHE A 61 7.097 0.111 6.727 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.182 -1.073 8.092 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.193 0.252 8.099 1.00 0.00 C ATOM 889 CZ PHE A 61 8.236 -0.341 8.782 1.00 0.00 C ATOM 0 H PHE A 61 8.579 -3.667 3.986 1.00 0.00 H new ATOM 0 HA PHE A 61 6.219 -2.067 4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.935 -0.747 4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.390 0.081 4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.825 -1.784 6.185 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.278 0.576 6.198 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.999 -1.538 8.624 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.452 0.826 8.636 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.312 -0.233 9.854 1.00 0.00 H new ATOM 899 N VAL A 62 6.103 -1.568 2.010 1.00 0.00 N ATOM 900 CA VAL A 62 5.918 -1.562 0.564 1.00 0.00 C ATOM 901 C VAL A 62 5.636 -0.155 0.052 1.00 0.00 C ATOM 902 O VAL A 62 4.528 0.360 0.199 1.00 0.00 O ATOM 903 CB VAL A 62 4.763 -2.491 0.143 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.619 -2.509 -1.371 1.00 0.00 C ATOM 905 CG2 VAL A 62 4.986 -3.896 0.682 1.00 0.00 C ATOM 0 H VAL A 62 5.355 -1.112 2.532 1.00 0.00 H new ATOM 0 HA VAL A 62 6.847 -1.926 0.124 1.00 0.00 H new ATOM 0 HB VAL A 62 3.836 -2.106 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.799 -3.170 -1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.410 -1.501 -1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.545 -2.869 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.161 -4.539 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.921 -4.293 0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.036 -3.864 1.770 1.00 0.00 H new ATOM 915 N GLU A 63 6.647 0.463 -0.552 1.00 0.00 N ATOM 916 CA GLU A 63 6.508 1.812 -1.086 1.00 0.00 C ATOM 917 C GLU A 63 5.851 1.787 -2.464 1.00 0.00 C ATOM 918 O GLU A 63 6.497 1.481 -3.466 1.00 0.00 O ATOM 919 CB GLU A 63 7.875 2.494 -1.173 1.00 0.00 C ATOM 920 CG GLU A 63 7.808 3.931 -1.665 1.00 0.00 C ATOM 921 CD GLU A 63 9.181 4.545 -1.860 1.00 0.00 C ATOM 922 OE1 GLU A 63 10.151 3.782 -2.050 1.00 0.00 O ATOM 923 OE2 GLU A 63 9.284 5.789 -1.821 1.00 0.00 O ATOM 0 H GLU A 63 7.571 0.050 -0.683 1.00 0.00 H new ATOM 0 HA GLU A 63 5.870 2.379 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.343 2.477 -0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.516 1.919 -1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.262 3.963 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.244 4.530 -0.950 1.00 0.00 H new ATOM 930 N PHE A 64 4.563 2.110 -2.505 1.00 0.00 N ATOM 931 CA PHE A 64 3.817 2.123 -3.758 1.00 0.00 C ATOM 932 C PHE A 64 4.121 3.386 -4.558 1.00 0.00 C ATOM 933 O PHE A 64 4.659 4.358 -4.026 1.00 0.00 O ATOM 934 CB PHE A 64 2.315 2.028 -3.483 1.00 0.00 C ATOM 935 CG PHE A 64 1.830 0.621 -3.284 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.553 -0.192 -4.371 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.650 0.110 -2.008 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.107 -1.487 -4.191 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.204 -1.185 -1.822 1.00 0.00 C ATOM 940 CZ PHE A 64 0.931 -1.984 -2.915 1.00 0.00 C ATOM 0 H PHE A 64 4.014 2.366 -1.685 1.00 0.00 H new ATOM 0 HA PHE A 64 4.126 1.259 -4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.079 2.614 -2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.772 2.477 -4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.687 0.191 -5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.861 0.731 -1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.896 -2.110 -5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.069 -1.572 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.581 -2.995 -2.772 1.00 0.00 H new ATOM 950 N LEU A 65 3.773 3.365 -5.840 1.00 0.00 N ATOM 951 CA LEU A 65 4.008 4.508 -6.716 1.00 0.00 C ATOM 952 C LEU A 65 3.167 5.705 -6.286 1.00 0.00 C ATOM 953 O LEU A 65 3.649 6.837 -6.259 1.00 0.00 O ATOM 954 CB LEU A 65 3.687 4.139 -8.165 1.00 0.00 C ATOM 955 CG LEU A 65 4.013 5.201 -9.216 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.511 5.252 -9.475 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.256 4.925 -10.507 1.00 0.00 C ATOM 0 H LEU A 65 3.327 2.569 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 65 5.061 4.781 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.231 3.229 -8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.625 3.904 -8.232 1.00 0.00 H new ATOM 0 HG LEU A 65 3.697 6.172 -8.834 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.725 6.013 -10.225 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.032 5.498 -8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.851 4.281 -9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.501 5.691 -11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.541 3.946 -10.893 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.184 4.940 -10.310 1.00 0.00 H new ATOM 969 N SER A 66 1.907 5.447 -5.948 1.00 0.00 N ATOM 970 CA SER A 66 0.998 6.504 -5.520 1.00 0.00 C ATOM 971 C SER A 66 0.261 6.103 -4.246 1.00 0.00 C ATOM 972 O SER A 66 -0.196 4.968 -4.112 1.00 0.00 O ATOM 973 CB SER A 66 -0.008 6.819 -6.628 1.00 0.00 C ATOM 974 OG SER A 66 0.645 7.011 -7.871 1.00 0.00 O ATOM 0 H SER A 66 1.493 4.515 -5.962 1.00 0.00 H new ATOM 0 HA SER A 66 1.589 7.396 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.727 6.004 -6.713 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.572 7.715 -6.368 1.00 0.00 H new ATOM 0 HG SER A 66 -0.020 7.209 -8.563 1.00 0.00 H new ATOM 980 N GLU A 67 0.149 7.044 -3.313 1.00 0.00 N ATOM 981 CA GLU A 67 -0.532 6.789 -2.050 1.00 0.00 C ATOM 982 C GLU A 67 -1.805 5.977 -2.272 1.00 0.00 C ATOM 983 O GLU A 67 -2.010 4.941 -1.641 1.00 0.00 O ATOM 984 CB GLU A 67 -0.871 8.108 -1.352 1.00 0.00 C ATOM 985 CG GLU A 67 0.202 8.577 -0.384 1.00 0.00 C ATOM 986 CD GLU A 67 1.231 9.475 -1.044 1.00 0.00 C ATOM 987 OE1 GLU A 67 1.597 9.203 -2.207 1.00 0.00 O ATOM 988 OE2 GLU A 67 1.670 10.449 -0.398 1.00 0.00 O ATOM 0 H GLU A 67 0.521 7.989 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 67 0.140 6.212 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.030 8.878 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.811 7.993 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.267 9.113 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.704 7.709 0.045 1.00 0.00 H new ATOM 995 N GLU A 68 -2.656 6.457 -3.173 1.00 0.00 N ATOM 996 CA GLU A 68 -3.910 5.777 -3.477 1.00 0.00 C ATOM 997 C GLU A 68 -3.708 4.266 -3.536 1.00 0.00 C ATOM 998 O GLU A 68 -4.517 3.500 -3.010 1.00 0.00 O ATOM 999 CB GLU A 68 -4.478 6.278 -4.807 1.00 0.00 C ATOM 1000 CG GLU A 68 -4.775 7.769 -4.818 1.00 0.00 C ATOM 1001 CD GLU A 68 -5.705 8.170 -5.947 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -5.592 7.584 -7.044 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -6.545 9.068 -5.733 1.00 0.00 O ATOM 0 H GLU A 68 -2.500 7.313 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.618 6.002 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.770 6.051 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.394 5.732 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.222 8.054 -3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.840 8.321 -4.909 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.625 3.844 -4.179 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.316 2.424 -4.306 1.00 0.00 C ATOM 1012 C ASP A 69 -2.114 1.787 -2.935 1.00 0.00 C ATOM 1013 O ASP A 69 -2.495 0.638 -2.711 1.00 0.00 O ATOM 1014 CB ASP A 69 -1.065 2.228 -5.163 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.309 2.544 -6.625 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -1.858 1.676 -7.336 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.950 3.659 -7.060 1.00 0.00 O ATOM 0 H ASP A 69 -1.946 4.464 -4.620 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.160 1.935 -4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.266 2.866 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.722 1.198 -5.069 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.511 2.540 -2.021 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.259 2.049 -0.672 1.00 0.00 C ATOM 1024 C ALA A 70 -2.557 1.639 0.014 1.00 0.00 C ATOM 1025 O ALA A 70 -2.747 0.473 0.359 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.538 3.108 0.149 1.00 0.00 C ATOM 0 H ALA A 70 -1.188 3.493 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.623 1.167 -0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.356 2.728 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.413 3.350 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.154 4.006 0.206 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.448 2.605 0.210 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.730 2.344 0.855 1.00 0.00 C ATOM 1034 C ASP A 71 -5.386 1.096 0.275 1.00 0.00 C ATOM 1035 O ASP A 71 -6.015 0.320 0.995 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.660 3.547 0.694 1.00 0.00 C ATOM 1037 CG ASP A 71 -6.730 3.600 1.768 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -7.262 2.529 2.128 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -7.033 4.711 2.248 1.00 0.00 O ATOM 0 H ASP A 71 -3.306 3.576 -0.069 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.547 2.176 1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.072 4.464 0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.135 3.507 -0.286 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.238 0.909 -1.032 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.819 -0.243 -1.711 1.00 0.00 C ATOM 1046 C TYR A 72 -5.125 -1.533 -1.286 1.00 0.00 C ATOM 1047 O TYR A 72 -5.755 -2.586 -1.184 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.718 -0.072 -3.228 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.578 -1.043 -4.005 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -6.192 -2.369 -4.165 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.776 -0.636 -4.579 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -6.974 -3.259 -4.875 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.565 -1.520 -5.289 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.160 -2.830 -5.434 1.00 0.00 C ATOM 1055 OH TYR A 72 -8.942 -3.714 -6.142 1.00 0.00 O ATOM 0 H TYR A 72 -4.720 1.541 -1.643 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.870 -0.307 -1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.006 0.946 -3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.678 -0.197 -3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.265 -2.709 -3.727 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.096 0.390 -4.468 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.659 -4.285 -4.992 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.494 -1.187 -5.728 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.743 -3.253 -6.468 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.822 -1.443 -1.038 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.042 -2.601 -0.621 1.00 0.00 C ATOM 1067 C ALA A 73 -3.277 -2.921 0.851 1.00 0.00 C ATOM 1068 O ALA A 73 -3.184 -4.076 1.268 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.562 -2.361 -0.881 1.00 0.00 C ATOM 0 H ALA A 73 -3.285 -0.580 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.369 -3.459 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.991 -3.234 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.403 -2.189 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.231 -1.488 -0.319 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.581 -1.891 1.634 1.00 0.00 N ATOM 1076 CA ILE A 74 -3.830 -2.063 3.060 1.00 0.00 C ATOM 1077 C ILE A 74 -5.228 -2.619 3.311 1.00 0.00 C ATOM 1078 O ILE A 74 -5.499 -3.196 4.364 1.00 0.00 O ATOM 1079 CB ILE A 74 -3.674 -0.735 3.824 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.355 -0.057 3.446 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -3.741 -0.976 5.324 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.320 1.420 3.770 1.00 0.00 C ATOM 0 H ILE A 74 -3.661 -0.929 1.305 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.088 -2.772 3.426 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.494 -0.073 3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.538 -0.555 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.180 -0.191 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.629 -0.028 5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.703 -1.421 5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.939 -1.652 5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.356 1.834 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.116 1.930 3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.463 1.561 4.841 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.113 -2.443 2.335 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.483 -2.929 2.447 1.00 0.00 C ATOM 1096 C LYS A 75 -7.573 -4.398 2.047 1.00 0.00 C ATOM 1097 O LYS A 75 -8.471 -5.117 2.488 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.416 -2.092 1.569 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.632 -2.675 0.183 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.283 -1.668 -0.750 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.801 -1.754 -0.691 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.326 -1.383 0.652 1.00 0.00 N ATOM 0 H LYS A 75 -5.905 -1.967 1.457 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.792 -2.834 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.380 -1.995 2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.005 -1.087 1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.675 -2.992 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.259 -3.564 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.964 -0.661 -0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.947 -1.846 -1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.232 -1.094 -1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.117 -2.768 -0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.293 -1.012 0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.336 -2.223 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.716 -0.654 1.074 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.638 -4.838 1.212 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.611 -6.222 0.756 1.00 0.00 C ATOM 1118 C ILE A 76 -5.525 -7.017 1.473 1.00 0.00 C ATOM 1119 O ILE A 76 -5.749 -8.150 1.897 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.377 -6.310 -0.764 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.041 -5.663 -1.134 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.520 -5.644 -1.515 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.742 -5.698 -2.616 1.00 0.00 C ATOM 0 H ILE A 76 -5.889 -4.256 0.837 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.586 -6.650 0.991 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.343 -7.361 -1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.043 -4.627 -0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.240 -6.171 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.340 -5.714 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.457 -6.145 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.583 -4.595 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.780 -5.222 -2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.707 -6.733 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.523 -5.164 -3.157 1.00 0.00 H new ATOM 1135 N MET A 77 -4.349 -6.413 1.607 1.00 0.00 N ATOM 1136 CA MET A 77 -3.228 -7.064 2.276 1.00 0.00 C ATOM 1137 C MET A 77 -3.320 -6.885 3.788 1.00 0.00 C ATOM 1138 O MET A 77 -2.311 -6.939 4.491 1.00 0.00 O ATOM 1139 CB MET A 77 -1.902 -6.498 1.764 1.00 0.00 C ATOM 1140 CG MET A 77 -1.804 -6.458 0.247 1.00 0.00 C ATOM 1141 SD MET A 77 -2.387 -7.979 -0.526 1.00 0.00 S ATOM 1142 CE MET A 77 -0.860 -8.618 -1.211 1.00 0.00 C ATOM 0 H MET A 77 -4.147 -5.475 1.262 1.00 0.00 H new ATOM 0 HA MET A 77 -3.271 -8.129 2.050 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.772 -5.489 2.155 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.083 -7.100 2.157 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.387 -5.617 -0.129 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.768 -6.282 -0.042 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.994 -9.665 -1.484 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.590 -8.043 -2.097 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.066 -8.535 -0.469 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.535 -6.674 4.281 1.00 0.00 N ATOM 1153 CA ASP A 78 -4.758 -6.488 5.711 1.00 0.00 C ATOM 1154 C ASP A 78 -5.349 -7.748 6.336 1.00 0.00 C ATOM 1155 O ASP A 78 -6.171 -8.430 5.725 1.00 0.00 O ATOM 1156 CB ASP A 78 -5.689 -5.299 5.953 1.00 0.00 C ATOM 1157 CG ASP A 78 -6.584 -5.501 7.160 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -6.046 -5.712 8.268 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -7.821 -5.448 6.998 1.00 0.00 O ATOM 0 H ASP A 78 -5.381 -6.627 3.713 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.795 -6.287 6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.093 -4.397 6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.306 -5.139 5.069 1.00 0.00 H new ATOM 1164 N MET A 79 -4.923 -8.052 7.558 1.00 0.00 N ATOM 1165 CA MET A 79 -5.410 -9.230 8.266 1.00 0.00 C ATOM 1166 C MET A 79 -5.318 -10.471 7.384 1.00 0.00 C ATOM 1167 O MET A 79 -6.164 -11.362 7.461 1.00 0.00 O ATOM 1168 CB MET A 79 -6.856 -9.017 8.719 1.00 0.00 C ATOM 1169 CG MET A 79 -6.975 -8.426 10.114 1.00 0.00 C ATOM 1170 SD MET A 79 -7.074 -9.689 11.397 1.00 0.00 S ATOM 1171 CE MET A 79 -5.776 -9.148 12.506 1.00 0.00 C ATOM 0 H MET A 79 -4.242 -7.499 8.078 1.00 0.00 H new ATOM 0 HA MET A 79 -4.781 -9.382 9.143 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.357 -8.358 8.010 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.381 -9.972 8.692 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.115 -7.784 10.307 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.862 -7.794 10.162 1.00 0.00 H new ATOM 0 HE1 MET A 79 -5.665 -9.869 13.316 1.00 0.00 H new ATOM 0 HE2 MET A 79 -4.837 -9.071 11.957 1.00 0.00 H new ATOM 0 HE3 MET A 79 -6.034 -8.174 12.921 1.00 0.00 H new ATOM 1181 N ILE A 80 -4.287 -10.522 6.548 1.00 0.00 N ATOM 1182 CA ILE A 80 -4.085 -11.654 5.652 1.00 0.00 C ATOM 1183 C ILE A 80 -3.394 -12.807 6.372 1.00 0.00 C ATOM 1184 O ILE A 80 -2.734 -12.611 7.392 1.00 0.00 O ATOM 1185 CB ILE A 80 -3.249 -11.257 4.421 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -4.114 -10.497 3.414 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.636 -12.491 3.777 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.546 -10.493 2.012 1.00 0.00 C ATOM 0 H ILE A 80 -3.578 -9.792 6.472 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.073 -11.974 5.321 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.441 -10.601 4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.109 -10.942 3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.232 -9.468 3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.048 -12.194 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.991 -12.995 4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.429 -13.170 3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.211 -9.936 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.563 -10.021 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.454 -11.518 1.654 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.548 -14.012 5.832 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.937 -15.198 6.419 1.00 0.00 C ATOM 1202 C LYS A 81 -1.833 -15.743 5.519 1.00 0.00 C ATOM 1203 O LYS A 81 -2.089 -16.550 4.624 1.00 0.00 O ATOM 1204 CB LYS A 81 -3.995 -16.278 6.657 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.656 -16.191 8.022 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.164 -17.547 8.483 1.00 0.00 C ATOM 1207 CE LYS A 81 -5.707 -17.486 9.902 1.00 0.00 C ATOM 1208 NZ LYS A 81 -7.090 -16.935 9.944 1.00 0.00 N ATOM 0 H LYS A 81 -4.091 -14.192 4.988 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.496 -14.914 7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.761 -16.200 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.532 -17.259 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.942 -15.802 8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.486 -15.485 7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.947 -17.892 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.355 -18.276 8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.701 -18.486 10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.051 -16.868 10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.424 -16.910 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.092 -15.971 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.721 -17.539 9.380 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.605 -15.300 5.762 1.00 0.00 N ATOM 1223 CA LEU A 82 0.540 -15.745 4.974 1.00 0.00 C ATOM 1224 C LEU A 82 1.380 -16.751 5.754 1.00 0.00 C ATOM 1225 O LEU A 82 1.491 -16.666 6.977 1.00 0.00 O ATOM 1226 CB LEU A 82 1.402 -14.548 4.570 1.00 0.00 C ATOM 1227 CG LEU A 82 2.518 -14.834 3.565 1.00 0.00 C ATOM 1228 CD1 LEU A 82 1.942 -15.059 2.176 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.526 -13.694 3.548 1.00 0.00 C ATOM 0 H LEU A 82 -0.376 -14.633 6.499 1.00 0.00 H new ATOM 0 HA LEU A 82 0.163 -16.234 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.750 -13.781 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.850 -14.128 5.470 1.00 0.00 H new ATOM 0 HG LEU A 82 3.033 -15.744 3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.752 -15.261 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.260 -15.909 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.400 -14.168 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.313 -13.915 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.024 -12.769 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.964 -13.581 4.540 1.00 0.00 H new ATOM 1241 N TYR A 83 1.970 -17.702 5.039 1.00 0.00 N ATOM 1242 CA TYR A 83 2.800 -18.724 5.664 1.00 0.00 C ATOM 1243 C TYR A 83 2.451 -18.882 7.140 1.00 0.00 C ATOM 1244 O TYR A 83 3.316 -18.778 8.009 1.00 0.00 O ATOM 1245 CB TYR A 83 4.281 -18.371 5.513 1.00 0.00 C ATOM 1246 CG TYR A 83 4.654 -17.904 4.124 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.239 -18.605 2.999 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.421 -16.761 3.937 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.578 -18.183 1.728 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.764 -16.329 2.670 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.340 -17.044 1.569 1.00 0.00 C ATOM 1252 OH TYR A 83 5.679 -16.619 0.305 1.00 0.00 O ATOM 0 H TYR A 83 1.889 -17.786 4.026 1.00 0.00 H new ATOM 0 HA TYR A 83 2.606 -19.671 5.160 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.535 -17.590 6.230 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.882 -19.244 5.767 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.641 -19.496 3.120 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.755 -16.200 4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.249 -18.741 0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.360 -15.437 2.543 1.00 0.00 H new ATOM 0 HH TYR A 83 4.979 -16.884 -0.328 1.00 0.00 H new ATOM 1262 N GLY A 84 1.175 -19.135 7.416 1.00 0.00 N ATOM 1263 CA GLY A 84 0.732 -19.304 8.788 1.00 0.00 C ATOM 1264 C GLY A 84 1.139 -18.145 9.676 1.00 0.00 C ATOM 1265 O GLY A 84 1.913 -18.315 10.618 1.00 0.00 O ATOM 0 H GLY A 84 0.440 -19.226 6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.353 -19.408 8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.147 -20.228 9.189 1.00 0.00 H new ATOM 1269 N LYS A 85 0.619 -16.960 9.374 1.00 0.00 N ATOM 1270 CA LYS A 85 0.932 -15.766 10.150 1.00 0.00 C ATOM 1271 C LYS A 85 0.043 -14.598 9.735 1.00 0.00 C ATOM 1272 O LYS A 85 0.137 -14.081 8.621 1.00 0.00 O ATOM 1273 CB LYS A 85 2.405 -15.389 9.973 1.00 0.00 C ATOM 1274 CG LYS A 85 3.334 -16.093 10.946 1.00 0.00 C ATOM 1275 CD LYS A 85 4.541 -15.234 11.285 1.00 0.00 C ATOM 1276 CE LYS A 85 4.165 -14.083 12.205 1.00 0.00 C ATOM 1277 NZ LYS A 85 5.312 -13.654 13.053 1.00 0.00 N ATOM 0 H LYS A 85 -0.022 -16.801 8.596 1.00 0.00 H new ATOM 0 HA LYS A 85 0.744 -15.987 11.201 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.712 -15.626 8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.513 -14.311 10.096 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.790 -16.335 11.859 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.668 -17.037 10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.304 -15.849 11.763 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.978 -14.840 10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.819 -13.239 11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.334 -14.384 12.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.016 -12.868 13.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.626 -14.452 13.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.096 -13.342 12.445 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.839 -14.170 10.650 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.760 -13.057 10.401 1.00 0.00 C ATOM 1293 C PRO A 86 -1.040 -11.715 10.324 1.00 0.00 C ATOM 1294 O PRO A 86 -0.945 -10.993 11.318 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.696 -13.093 11.612 1.00 0.00 C ATOM 1296 CG PRO A 86 -1.897 -13.745 12.688 1.00 0.00 C ATOM 1297 CD PRO A 86 -1.005 -14.739 11.997 1.00 0.00 C ATOM 0 HA PRO A 86 -2.274 -13.159 9.445 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.007 -12.089 11.902 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.603 -13.657 11.395 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.310 -13.010 13.238 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.546 -14.239 13.411 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.049 -14.845 12.509 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.459 -15.729 11.962 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.535 -11.386 9.140 1.00 0.00 N ATOM 1306 CA ILE A 87 0.175 -10.130 8.935 1.00 0.00 C ATOM 1307 C ILE A 87 -0.740 -8.935 9.180 1.00 0.00 C ATOM 1308 O ILE A 87 -1.961 -9.042 9.067 1.00 0.00 O ATOM 1309 CB ILE A 87 0.752 -10.036 7.510 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.378 -9.983 6.481 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.674 -11.214 7.233 1.00 0.00 C ATOM 1312 CD1 ILE A 87 0.070 -9.512 5.115 1.00 0.00 C ATOM 0 H ILE A 87 -0.604 -11.972 8.308 1.00 0.00 H new ATOM 0 HA ILE A 87 0.995 -10.110 9.653 1.00 0.00 H new ATOM 0 HB ILE A 87 1.334 -9.118 7.429 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.820 -10.975 6.387 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.161 -9.318 6.847 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.074 -11.133 6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.495 -11.209 7.950 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.114 -12.144 7.329 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.783 -9.499 4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.485 -8.507 5.195 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.831 -10.190 4.728 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.141 -7.797 9.516 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.902 -6.581 9.777 1.00 0.00 C ATOM 1326 C ARG A 88 -0.396 -5.428 8.915 1.00 0.00 C ATOM 1327 O ARG A 88 0.724 -4.950 9.093 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.810 -6.204 11.256 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.650 -7.088 12.163 1.00 0.00 C ATOM 1330 CD ARG A 88 -3.095 -6.617 12.218 1.00 0.00 C ATOM 1331 NE ARG A 88 -3.248 -5.417 13.037 1.00 0.00 N ATOM 1332 CZ ARG A 88 -4.426 -4.903 13.372 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -5.547 -5.480 12.962 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -4.484 -3.808 14.120 1.00 0.00 N ATOM 0 H ARG A 88 0.869 -7.692 9.614 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.944 -6.773 9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.232 -6.259 11.572 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.126 -5.168 11.379 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.615 -8.117 11.804 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.227 -7.086 13.168 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.449 -6.414 11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.721 -7.413 12.621 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.405 -4.949 13.369 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.507 -6.322 12.387 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.450 -5.082 13.221 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.624 -3.361 14.438 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.389 -3.413 14.377 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.230 -4.985 7.979 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.869 -3.888 7.090 1.00 0.00 C ATOM 1350 C VAL A 89 -1.642 -2.620 7.438 1.00 0.00 C ATOM 1351 O VAL A 89 -2.857 -2.654 7.622 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.134 -4.249 5.616 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -0.837 -3.061 4.713 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.308 -5.459 5.208 1.00 0.00 C ATOM 0 H VAL A 89 -2.161 -5.370 7.817 1.00 0.00 H new ATOM 0 HA VAL A 89 0.197 -3.709 7.227 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.188 -4.503 5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.030 -3.335 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.476 -2.223 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.208 -2.772 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.507 -5.700 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.751 -5.235 5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.575 -6.310 5.834 1.00 0.00 H new ATOM 1364 N ASN A 90 -0.927 -1.503 7.527 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.545 -0.224 7.853 1.00 0.00 C ATOM 1366 C ASN A 90 -0.836 0.922 7.137 1.00 0.00 C ATOM 1367 O ASN A 90 0.257 0.750 6.598 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.517 0.009 9.365 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.314 1.232 9.777 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -3.509 1.330 9.497 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -1.654 2.171 10.444 1.00 0.00 N ATOM 0 H ASN A 90 0.081 -1.458 7.378 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.581 -0.253 7.516 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.916 -0.869 9.873 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.484 0.125 9.693 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.137 3.017 10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.664 2.047 10.654 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.465 2.092 7.138 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.895 3.268 6.491 1.00 0.00 C ATOM 1380 C LYS A 91 0.385 3.709 7.194 1.00 0.00 C ATOM 1381 O LYS A 91 0.360 4.104 8.359 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.908 4.415 6.487 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.800 4.434 5.258 1.00 0.00 C ATOM 1384 CD LYS A 91 -2.077 5.009 4.052 1.00 0.00 C ATOM 1385 CE LYS A 91 -2.219 6.522 3.986 1.00 0.00 C ATOM 1386 NZ LYS A 91 -3.618 6.935 3.688 1.00 0.00 N ATOM 0 H LYS A 91 -2.370 2.251 7.580 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.651 3.003 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.532 4.341 7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.372 5.362 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.134 3.421 5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.692 5.025 5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.021 4.743 4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.477 4.565 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.906 6.958 4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.553 6.916 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.619 7.896 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.036 6.275 3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.178 6.923 4.565 1.00 0.00 H new ATOM 1400 N ALA A 92 1.503 3.639 6.478 1.00 0.00 N ATOM 1401 CA ALA A 92 2.791 4.035 7.032 1.00 0.00 C ATOM 1402 C ALA A 92 2.694 5.382 7.740 1.00 0.00 C ATOM 1403 O ALA A 92 3.254 5.568 8.820 1.00 0.00 O ATOM 1404 CB ALA A 92 3.844 4.087 5.935 1.00 0.00 C ATOM 0 H ALA A 92 1.542 3.312 5.513 1.00 0.00 H new ATOM 0 HA ALA A 92 3.087 3.288 7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.801 4.384 6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.941 3.103 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.545 4.811 5.178 1.00 0.00 H new