USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 911 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -1.38 USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -0.031 (180deg=-0.341) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.912 K(o=0.91,f=-0.64) USER MOD Single : A 34 SER OG : rot 29:sc= 0.506 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.04 K(o=-2,f=-0.11) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -136:sc= 1.18 USER MOD Single : A 59 GLN : amide:sc= -0.693 K(o=-0.69,f=-1.8) USER MOD Single : A 64 ASN : amide:sc= -1.06 K(o=-1.1,f=-3!) USER MOD Single : A 66 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.073) USER MOD Single : A 70 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 75 THR OG1 : rot 89:sc= 1.96 USER MOD Single : A 85 GLN : amide:sc= -0.28 K(o=-0.28,f=-0.85) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 99 THR OG1 : rot 37:sc= 0.00641 USER MOD Single : A 100 MET CE :methyl 145:sc= -0.127 (180deg=-0.967) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 102 THR OG1 : rot -135:sc= 0.676 USER MOD Single : A 108 THR OG1 : rot 77:sc= 1.13 USER MOD Single : A 109 TYR OH : rot 33:sc= 0.499 USER MOD Single : A 110 ASN : amide:sc= -2.58! C(o=-2.6!,f=-4.5!) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 10 -17.577 10.077 -13.856 1.00 0.00 N ATOM 149 CA PHE A 10 -16.525 10.344 -12.884 1.00 0.00 C ATOM 150 C PHE A 10 -15.977 11.768 -13.022 1.00 0.00 C ATOM 151 O PHE A 10 -15.328 12.105 -14.010 1.00 0.00 O ATOM 152 CB PHE A 10 -15.400 9.309 -13.038 1.00 0.00 C ATOM 153 CG PHE A 10 -15.171 8.861 -14.460 1.00 0.00 C ATOM 154 CD1 PHE A 10 -14.344 9.579 -15.309 1.00 0.00 C ATOM 155 CD2 PHE A 10 -15.793 7.720 -14.947 1.00 0.00 C ATOM 156 CE1 PHE A 10 -14.140 9.169 -16.612 1.00 0.00 C ATOM 157 CE2 PHE A 10 -15.590 7.307 -16.249 1.00 0.00 C ATOM 158 CZ PHE A 10 -14.765 8.032 -17.083 1.00 0.00 C ATOM 0 HA PHE A 10 -16.953 10.259 -11.885 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -14.475 9.732 -12.647 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -15.635 8.438 -12.427 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -13.853 10.470 -14.947 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -16.443 7.149 -14.301 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -13.492 9.738 -17.262 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -16.078 6.415 -16.614 1.00 0.00 H new ATOM 0 HZ PHE A 10 -14.608 7.711 -18.102 1.00 0.00 H new ATOM 168 N PRO A 11 -16.256 12.628 -12.029 1.00 0.00 N ATOM 169 CA PRO A 11 -15.782 14.000 -11.984 1.00 0.00 C ATOM 170 C PRO A 11 -14.603 14.154 -11.024 1.00 0.00 C ATOM 171 O PRO A 11 -14.511 15.145 -10.299 1.00 0.00 O ATOM 172 CB PRO A 11 -17.013 14.717 -11.434 1.00 0.00 C ATOM 173 CG PRO A 11 -17.672 13.717 -10.523 1.00 0.00 C ATOM 174 CD PRO A 11 -17.098 12.354 -10.859 1.00 0.00 C ATOM 0 HA PRO A 11 -15.421 14.375 -12.942 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.734 15.621 -10.892 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -17.684 15.021 -12.237 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -17.484 13.966 -9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.753 13.724 -10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -16.518 11.946 -10.031 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.882 11.631 -11.086 1.00 0.00 H new ATOM 182 N ARG A 12 -13.705 13.166 -11.056 1.00 0.00 N ATOM 183 CA ARG A 12 -12.620 13.039 -10.083 1.00 0.00 C ATOM 184 C ARG A 12 -13.196 12.634 -8.731 1.00 0.00 C ATOM 185 O ARG A 12 -13.789 13.450 -8.024 1.00 0.00 O ATOM 186 CB ARG A 12 -11.804 14.332 -9.944 1.00 0.00 C ATOM 187 CG ARG A 12 -10.577 14.177 -9.059 1.00 0.00 C ATOM 188 CD ARG A 12 -9.941 15.520 -8.729 1.00 0.00 C ATOM 189 NE ARG A 12 -10.745 16.297 -7.779 1.00 0.00 N ATOM 190 CZ ARG A 12 -10.251 17.270 -7.008 1.00 0.00 C ATOM 191 NH1 ARG A 12 -8.969 17.608 -7.103 1.00 0.00 N ATOM 192 NH2 ARG A 12 -11.037 17.901 -6.141 1.00 0.00 N ATOM 0 H ARG A 12 -13.711 12.429 -11.761 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.938 12.270 -10.445 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.490 14.663 -10.934 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.443 15.114 -9.534 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.858 13.672 -8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.846 13.543 -9.560 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.947 15.357 -8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.811 16.094 -9.647 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.739 16.082 -7.703 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.362 17.125 -7.765 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.592 18.351 -6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.021 17.643 -6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.656 18.643 -5.554 1.00 0.00 H new ATOM 206 N THR A 13 -13.026 11.374 -8.381 1.00 0.00 N ATOM 207 CA THR A 13 -13.585 10.854 -7.151 1.00 0.00 C ATOM 208 C THR A 13 -12.593 11.017 -6.007 1.00 0.00 C ATOM 209 O THR A 13 -11.625 10.270 -5.894 1.00 0.00 O ATOM 210 CB THR A 13 -13.966 9.367 -7.305 1.00 0.00 C ATOM 211 OG1 THR A 13 -14.821 9.200 -8.447 1.00 0.00 O ATOM 212 CG2 THR A 13 -14.674 8.845 -6.062 1.00 0.00 C ATOM 0 H THR A 13 -12.505 10.692 -8.932 1.00 0.00 H new ATOM 0 HA THR A 13 -14.487 11.422 -6.925 1.00 0.00 H new ATOM 0 HB THR A 13 -13.047 8.797 -7.442 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.059 8.254 -8.542 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.929 7.795 -6.203 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.016 8.946 -5.199 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.585 9.420 -5.893 1.00 0.00 H new ATOM 220 N ALA A 14 -12.846 12.009 -5.164 1.00 0.00 N ATOM 221 CA ALA A 14 -11.956 12.322 -4.056 1.00 0.00 C ATOM 222 C ALA A 14 -12.473 11.712 -2.763 1.00 0.00 C ATOM 223 O ALA A 14 -11.972 12.013 -1.678 1.00 0.00 O ATOM 224 CB ALA A 14 -11.805 13.829 -3.916 1.00 0.00 C ATOM 0 H ALA A 14 -13.665 12.613 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.976 11.892 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.137 14.052 -3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.389 14.240 -4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.781 14.277 -3.728 1.00 0.00 H new ATOM 230 N ALA A 15 -13.489 10.870 -2.886 1.00 0.00 N ATOM 231 CA ALA A 15 -14.057 10.179 -1.743 1.00 0.00 C ATOM 232 C ALA A 15 -14.654 8.843 -2.164 1.00 0.00 C ATOM 233 O ALA A 15 -15.635 8.800 -2.907 1.00 0.00 O ATOM 234 CB ALA A 15 -15.115 11.039 -1.071 1.00 0.00 C ATOM 0 H ALA A 15 -13.938 10.649 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.256 9.990 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.529 10.504 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.664 11.972 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.911 11.259 -1.782 1.00 0.00 H new ATOM 240 N ILE A 16 -14.049 7.758 -1.707 1.00 0.00 N ATOM 241 CA ILE A 16 -14.582 6.428 -1.966 1.00 0.00 C ATOM 242 C ILE A 16 -15.753 6.164 -1.025 1.00 0.00 C ATOM 243 O ILE A 16 -15.656 6.406 0.179 1.00 0.00 O ATOM 244 CB ILE A 16 -13.502 5.321 -1.813 1.00 0.00 C ATOM 245 CG1 ILE A 16 -12.506 5.352 -2.983 1.00 0.00 C ATOM 246 CG2 ILE A 16 -14.145 3.940 -1.717 1.00 0.00 C ATOM 247 CD1 ILE A 16 -11.582 6.555 -2.995 1.00 0.00 C ATOM 0 H ILE A 16 -13.191 7.771 -1.156 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.922 6.396 -3.001 1.00 0.00 H new ATOM 0 HB ILE A 16 -12.959 5.521 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.901 4.446 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -13.064 5.330 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.368 3.183 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.806 3.906 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.721 3.743 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.915 6.493 -3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.174 7.468 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.992 6.570 -2.078 1.00 0.00 H new ATOM 259 N ASP A 17 -16.858 5.692 -1.583 1.00 0.00 N ATOM 260 CA ASP A 17 -18.097 5.551 -0.828 1.00 0.00 C ATOM 261 C ASP A 17 -18.015 4.422 0.191 1.00 0.00 C ATOM 262 O ASP A 17 -18.076 4.661 1.397 1.00 0.00 O ATOM 263 CB ASP A 17 -19.271 5.309 -1.774 1.00 0.00 C ATOM 264 CG ASP A 17 -20.607 5.431 -1.072 1.00 0.00 C ATOM 265 OD1 ASP A 17 -21.088 6.572 -0.909 1.00 0.00 O ATOM 266 OD2 ASP A 17 -21.187 4.393 -0.694 1.00 0.00 O ATOM 0 H ASP A 17 -16.923 5.399 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.254 6.483 -0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -19.227 6.025 -2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -19.183 4.315 -2.213 1.00 0.00 H new ATOM 271 N ALA A 18 -17.872 3.195 -0.289 1.00 0.00 N ATOM 272 CA ALA A 18 -17.871 2.039 0.591 1.00 0.00 C ATOM 273 C ALA A 18 -16.734 1.078 0.262 1.00 0.00 C ATOM 274 O ALA A 18 -16.342 0.927 -0.897 1.00 0.00 O ATOM 275 CB ALA A 18 -19.207 1.316 0.511 1.00 0.00 C ATOM 0 H ALA A 18 -17.756 2.976 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.716 2.400 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -19.193 0.452 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -20.006 1.993 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -19.380 0.984 -0.513 1.00 0.00 H new ATOM 281 N TYR A 19 -16.212 0.435 1.294 1.00 0.00 N ATOM 282 CA TYR A 19 -15.155 -0.550 1.143 1.00 0.00 C ATOM 283 C TYR A 19 -15.371 -1.688 2.133 1.00 0.00 C ATOM 284 O TYR A 19 -15.936 -1.479 3.207 1.00 0.00 O ATOM 285 CB TYR A 19 -13.784 0.103 1.363 1.00 0.00 C ATOM 286 CG TYR A 19 -12.627 -0.875 1.372 1.00 0.00 C ATOM 287 CD1 TYR A 19 -12.217 -1.511 0.206 1.00 0.00 C ATOM 288 CD2 TYR A 19 -11.949 -1.162 2.550 1.00 0.00 C ATOM 289 CE1 TYR A 19 -11.164 -2.406 0.216 1.00 0.00 C ATOM 290 CE2 TYR A 19 -10.894 -2.055 2.567 1.00 0.00 C ATOM 291 CZ TYR A 19 -10.505 -2.674 1.400 1.00 0.00 C ATOM 292 OH TYR A 19 -9.454 -3.565 1.415 1.00 0.00 O ATOM 0 H TYR A 19 -16.509 0.581 2.259 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.182 -0.953 0.130 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -13.615 0.841 0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.798 0.641 2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.729 -1.303 -0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -12.251 -0.679 3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.858 -2.894 -0.698 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.377 -2.266 3.491 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.101 -3.639 2.326 1.00 0.00 H new ATOM 302 N GLY A 20 -14.943 -2.884 1.761 1.00 0.00 N ATOM 303 CA GLY A 20 -15.065 -4.027 2.640 1.00 0.00 C ATOM 304 C GLY A 20 -15.110 -5.322 1.865 1.00 0.00 C ATOM 305 O GLY A 20 -14.695 -5.367 0.704 1.00 0.00 O ATOM 0 H GLY A 20 -14.510 -3.084 0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.223 -4.046 3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.970 -3.930 3.240 1.00 0.00 H new ATOM 309 N LYS A 21 -15.612 -6.372 2.501 1.00 0.00 N ATOM 310 CA LYS A 21 -15.751 -7.664 1.844 1.00 0.00 C ATOM 311 C LYS A 21 -16.802 -7.596 0.743 1.00 0.00 C ATOM 312 O LYS A 21 -17.695 -6.742 0.770 1.00 0.00 O ATOM 313 CB LYS A 21 -16.109 -8.753 2.859 1.00 0.00 C ATOM 314 CG LYS A 21 -17.301 -8.411 3.736 1.00 0.00 C ATOM 315 CD LYS A 21 -17.608 -9.532 4.715 1.00 0.00 C ATOM 316 CE LYS A 21 -18.265 -10.725 4.035 1.00 0.00 C ATOM 317 NZ LYS A 21 -19.601 -10.382 3.482 1.00 0.00 N ATOM 0 H LYS A 21 -15.929 -6.354 3.470 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.793 -7.919 1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.318 -9.679 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.244 -8.941 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.099 -7.491 4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -18.173 -8.223 3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.685 -9.854 5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.264 -9.157 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.621 -11.085 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.367 -11.540 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.138 -11.255 3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.117 -9.789 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.484 -9.862 2.589 1.00 0.00 H new ATOM 331 N GLY A 22 -16.686 -8.492 -0.221 1.00 0.00 N ATOM 332 CA GLY A 22 -17.568 -8.475 -1.373 1.00 0.00 C ATOM 333 C GLY A 22 -17.022 -7.613 -2.496 1.00 0.00 C ATOM 334 O GLY A 22 -17.153 -7.955 -3.674 1.00 0.00 O ATOM 0 H GLY A 22 -15.991 -9.239 -0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.711 -9.493 -1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.548 -8.102 -1.074 1.00 0.00 H new ATOM 338 N GLY A 23 -16.408 -6.497 -2.127 1.00 0.00 N ATOM 339 CA GLY A 23 -15.842 -5.590 -3.103 1.00 0.00 C ATOM 340 C GLY A 23 -16.097 -4.144 -2.730 1.00 0.00 C ATOM 341 O GLY A 23 -17.015 -3.851 -1.961 1.00 0.00 O ATOM 0 H GLY A 23 -16.292 -6.202 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.769 -5.763 -3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.271 -5.795 -4.084 1.00 0.00 H new ATOM 345 N PHE A 24 -15.281 -3.241 -3.257 1.00 0.00 N ATOM 346 CA PHE A 24 -15.448 -1.819 -2.991 1.00 0.00 C ATOM 347 C PHE A 24 -16.597 -1.249 -3.817 1.00 0.00 C ATOM 348 O PHE A 24 -16.926 -1.766 -4.888 1.00 0.00 O ATOM 349 CB PHE A 24 -14.147 -1.048 -3.248 1.00 0.00 C ATOM 350 CG PHE A 24 -13.411 -1.458 -4.495 1.00 0.00 C ATOM 351 CD1 PHE A 24 -13.843 -1.049 -5.745 1.00 0.00 C ATOM 352 CD2 PHE A 24 -12.276 -2.249 -4.410 1.00 0.00 C ATOM 353 CE1 PHE A 24 -13.159 -1.422 -6.886 1.00 0.00 C ATOM 354 CE2 PHE A 24 -11.590 -2.625 -5.547 1.00 0.00 C ATOM 355 CZ PHE A 24 -12.031 -2.211 -6.787 1.00 0.00 C ATOM 0 H PHE A 24 -14.498 -3.468 -3.870 1.00 0.00 H new ATOM 0 HA PHE A 24 -15.696 -1.700 -1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -14.377 0.016 -3.311 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -13.486 -1.181 -2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -14.725 -0.431 -5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.924 -2.575 -3.442 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -13.507 -1.096 -7.855 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.708 -3.243 -5.466 1.00 0.00 H new ATOM 0 HZ PHE A 24 -11.495 -2.504 -7.678 1.00 0.00 H new ATOM 365 N TYR A 25 -17.198 -0.184 -3.315 1.00 0.00 N ATOM 366 CA TYR A 25 -18.399 0.370 -3.914 1.00 0.00 C ATOM 367 C TYR A 25 -18.348 1.892 -3.919 1.00 0.00 C ATOM 368 O TYR A 25 -17.854 2.515 -2.978 1.00 0.00 O ATOM 369 CB TYR A 25 -19.621 -0.133 -3.133 1.00 0.00 C ATOM 370 CG TYR A 25 -20.951 0.440 -3.576 1.00 0.00 C ATOM 371 CD1 TYR A 25 -21.528 0.059 -4.777 1.00 0.00 C ATOM 372 CD2 TYR A 25 -21.641 1.342 -2.776 1.00 0.00 C ATOM 373 CE1 TYR A 25 -22.752 0.562 -5.173 1.00 0.00 C ATOM 374 CE2 TYR A 25 -22.864 1.853 -3.168 1.00 0.00 C ATOM 375 CZ TYR A 25 -23.415 1.458 -4.366 1.00 0.00 C ATOM 376 OH TYR A 25 -24.636 1.956 -4.760 1.00 0.00 O ATOM 0 H TYR A 25 -16.871 0.317 -2.489 1.00 0.00 H new ATOM 0 HA TYR A 25 -18.472 0.042 -4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -19.665 -1.219 -3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.478 0.098 -2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -21.012 -0.643 -5.414 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -21.215 1.649 -1.832 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -23.187 0.253 -6.112 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -23.385 2.559 -2.538 1.00 0.00 H new ATOM 0 HH TYR A 25 -24.972 2.575 -4.079 1.00 0.00 H new ATOM 386 N PHE A 26 -18.841 2.479 -4.995 1.00 0.00 N ATOM 387 CA PHE A 26 -18.944 3.922 -5.108 1.00 0.00 C ATOM 388 C PHE A 26 -20.372 4.293 -5.475 1.00 0.00 C ATOM 389 O PHE A 26 -21.205 3.408 -5.663 1.00 0.00 O ATOM 390 CB PHE A 26 -17.951 4.463 -6.148 1.00 0.00 C ATOM 391 CG PHE A 26 -18.053 3.815 -7.503 1.00 0.00 C ATOM 392 CD1 PHE A 26 -18.922 4.311 -8.463 1.00 0.00 C ATOM 393 CD2 PHE A 26 -17.277 2.710 -7.817 1.00 0.00 C ATOM 394 CE1 PHE A 26 -19.012 3.722 -9.708 1.00 0.00 C ATOM 395 CE2 PHE A 26 -17.362 2.116 -9.062 1.00 0.00 C ATOM 396 CZ PHE A 26 -18.232 2.621 -10.008 1.00 0.00 C ATOM 0 H PHE A 26 -19.180 1.971 -5.812 1.00 0.00 H new ATOM 0 HA PHE A 26 -18.691 4.376 -4.150 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -18.109 5.536 -6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.938 4.328 -5.770 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.536 5.169 -8.234 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.598 2.308 -7.080 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -19.691 4.121 -10.447 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.749 1.258 -9.295 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.303 2.157 -10.980 1.00 0.00 H new ATOM 406 N ALA A 27 -20.657 5.584 -5.563 1.00 0.00 N ATOM 407 CA ALA A 27 -21.995 6.045 -5.914 1.00 0.00 C ATOM 408 C ALA A 27 -22.392 5.562 -7.307 1.00 0.00 C ATOM 409 O ALA A 27 -22.002 6.147 -8.316 1.00 0.00 O ATOM 410 CB ALA A 27 -22.074 7.562 -5.834 1.00 0.00 C ATOM 0 H ALA A 27 -19.982 6.331 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 27 -22.698 5.622 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -23.080 7.888 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -21.843 7.885 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -21.356 8.001 -6.527 1.00 0.00 H new ATOM 416 N GLY A 28 -23.145 4.472 -7.346 1.00 0.00 N ATOM 417 CA GLY A 28 -23.572 3.902 -8.604 1.00 0.00 C ATOM 418 C GLY A 28 -23.598 2.387 -8.561 1.00 0.00 C ATOM 419 O GLY A 28 -24.655 1.782 -8.386 1.00 0.00 O ATOM 0 H GLY A 28 -23.469 3.970 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -24.566 4.275 -8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -22.901 4.231 -9.397 1.00 0.00 H new ATOM 423 N MET A 29 -22.431 1.774 -8.698 1.00 0.00 N ATOM 424 CA MET A 29 -22.326 0.320 -8.721 1.00 0.00 C ATOM 425 C MET A 29 -21.006 -0.132 -8.111 1.00 0.00 C ATOM 426 O MET A 29 -20.088 0.670 -7.937 1.00 0.00 O ATOM 427 CB MET A 29 -22.440 -0.203 -10.158 1.00 0.00 C ATOM 428 CG MET A 29 -21.326 0.284 -11.075 1.00 0.00 C ATOM 429 SD MET A 29 -21.461 -0.379 -12.747 1.00 0.00 S ATOM 430 CE MET A 29 -20.033 0.377 -13.522 1.00 0.00 C ATOM 0 H MET A 29 -21.540 2.262 -8.795 1.00 0.00 H new ATOM 0 HA MET A 29 -23.145 -0.089 -8.129 1.00 0.00 H new ATOM 0 HB2 MET A 29 -22.434 -1.293 -10.140 1.00 0.00 H new ATOM 0 HB3 MET A 29 -23.400 0.104 -10.572 1.00 0.00 H new ATOM 0 HG2 MET A 29 -21.346 1.373 -11.118 1.00 0.00 H new ATOM 0 HG3 MET A 29 -20.362 -0.001 -10.652 1.00 0.00 H new ATOM 0 HE1 MET A 29 -19.976 0.064 -14.565 1.00 0.00 H new ATOM 0 HE2 MET A 29 -20.124 1.462 -13.473 1.00 0.00 H new ATOM 0 HE3 MET A 29 -19.128 0.065 -13.000 1.00 0.00 H new ATOM 440 N SER A 30 -20.924 -1.410 -7.775 1.00 0.00 N ATOM 441 CA SER A 30 -19.686 -1.997 -7.289 1.00 0.00 C ATOM 442 C SER A 30 -19.037 -2.804 -8.404 1.00 0.00 C ATOM 443 O SER A 30 -19.728 -3.322 -9.284 1.00 0.00 O ATOM 444 CB SER A 30 -19.948 -2.890 -6.070 1.00 0.00 C ATOM 445 OG SER A 30 -20.894 -3.907 -6.362 1.00 0.00 O ATOM 0 H SER A 30 -21.705 -2.063 -7.831 1.00 0.00 H new ATOM 0 HA SER A 30 -19.013 -1.197 -6.982 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.013 -3.345 -5.744 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.312 -2.280 -5.243 1.00 0.00 H new ATOM 0 HG SER A 30 -21.037 -4.459 -5.565 1.00 0.00 H new ATOM 451 N HIS A 31 -17.720 -2.908 -8.382 1.00 0.00 N ATOM 452 CA HIS A 31 -17.014 -3.653 -9.412 1.00 0.00 C ATOM 453 C HIS A 31 -15.898 -4.487 -8.810 1.00 0.00 C ATOM 454 O HIS A 31 -14.915 -3.953 -8.299 1.00 0.00 O ATOM 455 CB HIS A 31 -16.452 -2.705 -10.478 1.00 0.00 C ATOM 456 CG HIS A 31 -15.687 -3.403 -11.567 1.00 0.00 C ATOM 457 ND1 HIS A 31 -16.290 -4.166 -12.543 1.00 0.00 N ATOM 458 CD2 HIS A 31 -14.358 -3.450 -11.829 1.00 0.00 C ATOM 459 CE1 HIS A 31 -15.370 -4.652 -13.355 1.00 0.00 C ATOM 460 NE2 HIS A 31 -14.188 -4.233 -12.946 1.00 0.00 N ATOM 0 H HIS A 31 -17.121 -2.491 -7.670 1.00 0.00 H new ATOM 0 HA HIS A 31 -17.728 -4.326 -9.887 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -17.275 -2.147 -10.925 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -15.798 -1.978 -9.996 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.577 -2.962 -11.265 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.554 -5.286 -14.210 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.295 -4.454 -13.386 1.00 0.00 H new ATOM 469 N GLN A 32 -16.062 -5.799 -8.867 1.00 0.00 N ATOM 470 CA GLN A 32 -15.024 -6.712 -8.431 1.00 0.00 C ATOM 471 C GLN A 32 -13.902 -6.742 -9.463 1.00 0.00 C ATOM 472 O GLN A 32 -14.129 -6.477 -10.645 1.00 0.00 O ATOM 473 CB GLN A 32 -15.599 -8.111 -8.217 1.00 0.00 C ATOM 474 CG GLN A 32 -16.649 -8.164 -7.119 1.00 0.00 C ATOM 475 CD GLN A 32 -17.286 -9.533 -6.974 1.00 0.00 C ATOM 476 OE1 GLN A 32 -17.413 -10.279 -7.945 1.00 0.00 O ATOM 477 NE2 GLN A 32 -17.691 -9.871 -5.761 1.00 0.00 N ATOM 0 H GLN A 32 -16.907 -6.254 -9.212 1.00 0.00 H new ATOM 0 HA GLN A 32 -14.619 -6.365 -7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.040 -8.463 -9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.788 -8.796 -7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.191 -7.880 -6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.425 -7.429 -7.330 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.567 -9.223 -4.983 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -18.127 -10.779 -5.604 1.00 0.00 H new ATOM 486 N GLY A 33 -12.698 -7.048 -9.018 1.00 0.00 N ATOM 487 CA GLY A 33 -11.553 -7.006 -9.899 1.00 0.00 C ATOM 488 C GLY A 33 -10.618 -5.883 -9.519 1.00 0.00 C ATOM 489 O GLY A 33 -9.951 -5.959 -8.492 1.00 0.00 O ATOM 0 H GLY A 33 -12.491 -7.326 -8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.022 -7.957 -9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.886 -6.874 -10.928 1.00 0.00 H new ATOM 493 N SER A 34 -10.586 -4.831 -10.322 1.00 0.00 N ATOM 494 CA SER A 34 -9.753 -3.680 -10.019 1.00 0.00 C ATOM 495 C SER A 34 -10.255 -2.443 -10.765 1.00 0.00 C ATOM 496 O SER A 34 -10.969 -2.549 -11.772 1.00 0.00 O ATOM 497 CB SER A 34 -8.289 -3.975 -10.381 1.00 0.00 C ATOM 498 OG SER A 34 -7.424 -2.966 -9.895 1.00 0.00 O ATOM 0 H SER A 34 -11.125 -4.751 -11.184 1.00 0.00 H new ATOM 0 HA SER A 34 -9.812 -3.479 -8.949 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.997 -4.939 -9.964 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.189 -4.052 -11.464 1.00 0.00 H new ATOM 0 HG SER A 34 -7.813 -2.561 -9.092 1.00 0.00 H new ATOM 504 N LEU A 35 -9.902 -1.272 -10.248 1.00 0.00 N ATOM 505 CA LEU A 35 -10.270 -0.005 -10.863 1.00 0.00 C ATOM 506 C LEU A 35 -9.102 0.969 -10.790 1.00 0.00 C ATOM 507 O LEU A 35 -8.295 0.916 -9.860 1.00 0.00 O ATOM 508 CB LEU A 35 -11.494 0.611 -10.172 1.00 0.00 C ATOM 509 CG LEU A 35 -12.829 -0.095 -10.426 1.00 0.00 C ATOM 510 CD1 LEU A 35 -13.941 0.562 -9.622 1.00 0.00 C ATOM 511 CD2 LEU A 35 -13.168 -0.071 -11.908 1.00 0.00 C ATOM 0 H LEU A 35 -9.354 -1.175 -9.393 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.522 -0.198 -11.906 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.311 0.626 -9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.586 1.648 -10.495 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.735 -1.133 -10.106 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.882 0.047 -9.815 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.706 0.502 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.033 1.608 -9.915 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.120 -0.577 -12.072 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.243 0.962 -12.247 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.385 -0.581 -12.469 1.00 0.00 H new ATOM 523 N LEU A 36 -9.026 1.857 -11.770 1.00 0.00 N ATOM 524 CA LEU A 36 -7.971 2.854 -11.816 1.00 0.00 C ATOM 525 C LEU A 36 -8.483 4.194 -11.310 1.00 0.00 C ATOM 526 O LEU A 36 -9.153 4.928 -12.038 1.00 0.00 O ATOM 527 CB LEU A 36 -7.434 3.021 -13.243 1.00 0.00 C ATOM 528 CG LEU A 36 -6.615 1.850 -13.779 1.00 0.00 C ATOM 529 CD1 LEU A 36 -6.268 2.078 -15.243 1.00 0.00 C ATOM 530 CD2 LEU A 36 -5.350 1.665 -12.955 1.00 0.00 C ATOM 0 H LEU A 36 -9.686 1.906 -12.546 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.161 2.509 -11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.278 3.188 -13.913 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.817 3.919 -13.277 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.212 0.942 -13.700 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.684 1.236 -15.614 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.185 2.167 -15.825 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.686 2.994 -15.341 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.778 0.826 -13.351 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.747 2.572 -13.006 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.618 1.465 -11.918 1.00 0.00 H new ATOM 542 N PHE A 37 -8.189 4.496 -10.058 1.00 0.00 N ATOM 543 CA PHE A 37 -8.532 5.789 -9.496 1.00 0.00 C ATOM 544 C PHE A 37 -7.390 6.766 -9.732 1.00 0.00 C ATOM 545 O PHE A 37 -6.468 6.877 -8.924 1.00 0.00 O ATOM 546 CB PHE A 37 -8.843 5.675 -8.001 1.00 0.00 C ATOM 547 CG PHE A 37 -10.141 4.977 -7.705 1.00 0.00 C ATOM 548 CD1 PHE A 37 -10.223 3.594 -7.728 1.00 0.00 C ATOM 549 CD2 PHE A 37 -11.281 5.708 -7.408 1.00 0.00 C ATOM 550 CE1 PHE A 37 -11.419 2.953 -7.459 1.00 0.00 C ATOM 551 CE2 PHE A 37 -12.477 5.072 -7.138 1.00 0.00 C ATOM 552 CZ PHE A 37 -12.547 3.693 -7.163 1.00 0.00 C ATOM 0 H PHE A 37 -7.714 3.865 -9.413 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.429 6.159 -9.992 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.032 5.138 -7.510 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.871 6.675 -7.568 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.344 3.010 -7.958 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -11.233 6.787 -7.388 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.471 1.874 -7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -13.358 5.653 -6.907 1.00 0.00 H new ATOM 0 HZ PHE A 37 -13.481 3.194 -6.952 1.00 0.00 H new ATOM 562 N LEU A 38 -7.439 7.438 -10.870 1.00 0.00 N ATOM 563 CA LEU A 38 -6.401 8.382 -11.244 1.00 0.00 C ATOM 564 C LEU A 38 -6.719 9.756 -10.666 1.00 0.00 C ATOM 565 O LEU A 38 -7.870 10.031 -10.325 1.00 0.00 O ATOM 566 CB LEU A 38 -6.294 8.467 -12.773 1.00 0.00 C ATOM 567 CG LEU A 38 -6.055 7.136 -13.493 1.00 0.00 C ATOM 568 CD1 LEU A 38 -6.029 7.345 -14.999 1.00 0.00 C ATOM 569 CD2 LEU A 38 -4.758 6.494 -13.023 1.00 0.00 C ATOM 0 H LEU A 38 -8.191 7.346 -11.553 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.447 8.039 -10.843 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.212 8.909 -13.160 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.481 9.148 -13.026 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.877 6.463 -13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.858 6.390 -15.496 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.983 7.758 -15.325 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.227 8.037 -15.257 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.608 5.550 -13.547 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.924 7.163 -13.234 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.812 6.309 -11.950 1.00 0.00 H new ATOM 581 N PRO A 39 -5.716 10.640 -10.554 1.00 0.00 N ATOM 582 CA PRO A 39 -5.918 12.014 -10.073 1.00 0.00 C ATOM 583 C PRO A 39 -6.588 12.899 -11.127 1.00 0.00 C ATOM 584 O PRO A 39 -6.352 14.106 -11.189 1.00 0.00 O ATOM 585 CB PRO A 39 -4.492 12.496 -9.792 1.00 0.00 C ATOM 586 CG PRO A 39 -3.640 11.714 -10.730 1.00 0.00 C ATOM 587 CD PRO A 39 -4.298 10.370 -10.868 1.00 0.00 C ATOM 0 HA PRO A 39 -6.576 12.058 -9.205 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.394 13.567 -9.967 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.209 12.315 -8.755 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.565 12.212 -11.696 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.626 11.614 -10.344 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.180 9.968 -11.874 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.868 9.641 -10.181 1.00 0.00 H new ATOM 595 N ASP A 40 -7.449 12.288 -11.928 1.00 0.00 N ATOM 596 CA ASP A 40 -8.100 12.962 -13.041 1.00 0.00 C ATOM 597 C ASP A 40 -9.464 12.335 -13.307 1.00 0.00 C ATOM 598 O ASP A 40 -10.494 13.001 -13.225 1.00 0.00 O ATOM 599 CB ASP A 40 -7.217 12.872 -14.290 1.00 0.00 C ATOM 600 CG ASP A 40 -7.861 13.477 -15.523 1.00 0.00 C ATOM 601 OD1 ASP A 40 -8.086 14.701 -15.544 1.00 0.00 O ATOM 602 OD2 ASP A 40 -8.118 12.732 -16.491 1.00 0.00 O ATOM 0 H ASP A 40 -7.716 11.309 -11.824 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.245 14.012 -12.788 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.272 13.379 -14.096 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.983 11.826 -14.487 1.00 0.00 H new ATOM 607 N ALA A 41 -9.460 11.040 -13.596 1.00 0.00 N ATOM 608 CA ALA A 41 -10.689 10.309 -13.864 1.00 0.00 C ATOM 609 C ALA A 41 -10.576 8.875 -13.360 1.00 0.00 C ATOM 610 O ALA A 41 -9.482 8.415 -13.029 1.00 0.00 O ATOM 611 CB ALA A 41 -10.999 10.329 -15.352 1.00 0.00 C ATOM 0 H ALA A 41 -8.614 10.473 -13.651 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.507 10.796 -13.333 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.921 9.779 -15.539 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.118 11.360 -15.685 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.181 9.863 -15.900 1.00 0.00 H new ATOM 617 N VAL A 42 -11.701 8.175 -13.300 1.00 0.00 N ATOM 618 CA VAL A 42 -11.720 6.794 -12.833 1.00 0.00 C ATOM 619 C VAL A 42 -12.034 5.854 -13.991 1.00 0.00 C ATOM 620 O VAL A 42 -13.007 6.058 -14.714 1.00 0.00 O ATOM 621 CB VAL A 42 -12.761 6.590 -11.708 1.00 0.00 C ATOM 622 CG1 VAL A 42 -12.761 5.149 -11.216 1.00 0.00 C ATOM 623 CG2 VAL A 42 -12.499 7.549 -10.557 1.00 0.00 C ATOM 0 H VAL A 42 -12.614 8.541 -13.569 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.732 6.568 -12.431 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.747 6.805 -12.119 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.502 5.035 -10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.006 4.482 -12.043 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.774 4.897 -10.827 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.242 7.390 -9.775 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.503 7.369 -10.153 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.565 8.576 -10.917 1.00 0.00 H new ATOM 633 N TRP A 43 -11.207 4.834 -14.169 1.00 0.00 N ATOM 634 CA TRP A 43 -11.378 3.901 -15.275 1.00 0.00 C ATOM 635 C TRP A 43 -11.418 2.460 -14.775 1.00 0.00 C ATOM 636 O TRP A 43 -11.016 2.174 -13.646 1.00 0.00 O ATOM 637 CB TRP A 43 -10.249 4.073 -16.298 1.00 0.00 C ATOM 638 CG TRP A 43 -10.213 5.438 -16.919 1.00 0.00 C ATOM 639 CD1 TRP A 43 -9.398 6.475 -16.573 1.00 0.00 C ATOM 640 CD2 TRP A 43 -11.038 5.914 -17.989 1.00 0.00 C ATOM 641 NE1 TRP A 43 -9.663 7.567 -17.364 1.00 0.00 N ATOM 642 CE2 TRP A 43 -10.667 7.247 -18.241 1.00 0.00 C ATOM 643 CE3 TRP A 43 -12.053 5.339 -18.758 1.00 0.00 C ATOM 644 CZ2 TRP A 43 -11.278 8.014 -19.233 1.00 0.00 C ATOM 645 CZ3 TRP A 43 -12.658 6.100 -19.740 1.00 0.00 C ATOM 646 CH2 TRP A 43 -12.269 7.424 -19.970 1.00 0.00 C ATOM 0 H TRP A 43 -10.412 4.631 -13.563 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.330 4.122 -15.758 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.294 3.878 -15.811 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.364 3.327 -17.084 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.653 6.443 -15.792 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.190 8.469 -17.308 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -12.359 4.317 -18.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.980 9.036 -19.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.444 5.666 -20.340 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -12.761 7.992 -20.745 1.00 0.00 H new ATOM 657 N GLY A 44 -11.906 1.559 -15.621 1.00 0.00 N ATOM 658 CA GLY A 44 -11.982 0.157 -15.260 1.00 0.00 C ATOM 659 C GLY A 44 -10.714 -0.588 -15.619 1.00 0.00 C ATOM 660 O GLY A 44 -10.182 -0.415 -16.715 1.00 0.00 O ATOM 0 H GLY A 44 -12.252 1.777 -16.555 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.165 0.067 -14.189 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.830 -0.303 -15.768 1.00 0.00 H new ATOM 664 N TRP A 45 -10.233 -1.418 -14.704 1.00 0.00 N ATOM 665 CA TRP A 45 -8.975 -2.122 -14.899 1.00 0.00 C ATOM 666 C TRP A 45 -9.116 -3.568 -14.434 1.00 0.00 C ATOM 667 O TRP A 45 -8.943 -3.868 -13.258 1.00 0.00 O ATOM 668 CB TRP A 45 -7.878 -1.402 -14.110 1.00 0.00 C ATOM 669 CG TRP A 45 -6.478 -1.743 -14.522 1.00 0.00 C ATOM 670 CD1 TRP A 45 -5.952 -1.669 -15.778 1.00 0.00 C ATOM 671 CD2 TRP A 45 -5.417 -2.173 -13.664 1.00 0.00 C ATOM 672 NE1 TRP A 45 -4.629 -2.037 -15.755 1.00 0.00 N ATOM 673 CE2 TRP A 45 -4.277 -2.351 -14.468 1.00 0.00 C ATOM 674 CE3 TRP A 45 -5.321 -2.427 -12.293 1.00 0.00 C ATOM 675 CZ2 TRP A 45 -3.055 -2.774 -13.944 1.00 0.00 C ATOM 676 CZ3 TRP A 45 -4.111 -2.846 -11.774 1.00 0.00 C ATOM 677 CH2 TRP A 45 -2.992 -3.014 -12.598 1.00 0.00 C ATOM 0 H TRP A 45 -10.696 -1.620 -13.818 1.00 0.00 H new ATOM 0 HA TRP A 45 -8.708 -2.129 -15.956 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -8.021 -0.327 -14.216 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.998 -1.637 -13.052 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.496 -1.366 -16.661 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -4.009 -2.071 -16.564 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -6.179 -2.298 -11.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -2.190 -2.907 -14.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -4.027 -3.047 -10.716 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -2.059 -3.340 -12.162 1.00 0.00 H new ATOM 688 N ASP A 46 -9.461 -4.463 -15.347 1.00 0.00 N ATOM 689 CA ASP A 46 -9.743 -5.842 -14.967 1.00 0.00 C ATOM 690 C ASP A 46 -8.462 -6.639 -14.753 1.00 0.00 C ATOM 691 O ASP A 46 -7.961 -7.304 -15.661 1.00 0.00 O ATOM 692 CB ASP A 46 -10.631 -6.537 -16.002 1.00 0.00 C ATOM 693 CG ASP A 46 -10.985 -7.956 -15.594 1.00 0.00 C ATOM 694 OD1 ASP A 46 -11.283 -8.182 -14.403 1.00 0.00 O ATOM 695 OD2 ASP A 46 -10.971 -8.855 -16.465 1.00 0.00 O ATOM 0 H ASP A 46 -9.552 -4.265 -16.343 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.282 -5.805 -14.021 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.546 -5.961 -16.138 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.119 -6.554 -16.964 1.00 0.00 H new ATOM 700 N VAL A 47 -7.911 -6.523 -13.556 1.00 0.00 N ATOM 701 CA VAL A 47 -6.785 -7.339 -13.145 1.00 0.00 C ATOM 702 C VAL A 47 -7.141 -8.076 -11.861 1.00 0.00 C ATOM 703 O VAL A 47 -7.108 -7.508 -10.773 1.00 0.00 O ATOM 704 CB VAL A 47 -5.507 -6.492 -12.939 1.00 0.00 C ATOM 705 CG1 VAL A 47 -4.352 -7.353 -12.454 1.00 0.00 C ATOM 706 CG2 VAL A 47 -5.130 -5.781 -14.229 1.00 0.00 C ATOM 0 H VAL A 47 -8.231 -5.864 -12.847 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.574 -8.056 -13.938 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.717 -5.745 -12.173 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.467 -6.731 -12.318 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.618 -7.818 -11.505 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.141 -8.128 -13.191 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.229 -5.189 -14.068 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.945 -6.518 -15.010 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.945 -5.125 -14.535 1.00 0.00 H new ATOM 716 N THR A 48 -7.526 -9.336 -12.006 1.00 0.00 N ATOM 717 CA THR A 48 -7.988 -10.129 -10.876 1.00 0.00 C ATOM 718 C THR A 48 -6.818 -10.639 -10.032 1.00 0.00 C ATOM 719 O THR A 48 -6.938 -10.802 -8.819 1.00 0.00 O ATOM 720 CB THR A 48 -8.831 -11.320 -11.366 1.00 0.00 C ATOM 721 OG1 THR A 48 -9.789 -10.866 -12.334 1.00 0.00 O ATOM 722 CG2 THR A 48 -9.559 -11.993 -10.211 1.00 0.00 C ATOM 0 H THR A 48 -7.527 -9.832 -12.897 1.00 0.00 H new ATOM 0 HA THR A 48 -8.603 -9.482 -10.251 1.00 0.00 H new ATOM 0 HB THR A 48 -8.159 -12.049 -11.819 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.324 -11.626 -12.646 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.146 -12.830 -10.589 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.832 -12.358 -9.486 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.222 -11.274 -9.730 1.00 0.00 H new ATOM 730 N LYS A 49 -5.685 -10.890 -10.676 1.00 0.00 N ATOM 731 CA LYS A 49 -4.507 -11.379 -9.969 1.00 0.00 C ATOM 732 C LYS A 49 -3.405 -10.327 -9.990 1.00 0.00 C ATOM 733 O LYS A 49 -3.040 -9.838 -11.058 1.00 0.00 O ATOM 734 CB LYS A 49 -3.978 -12.665 -10.612 1.00 0.00 C ATOM 735 CG LYS A 49 -5.017 -13.761 -10.782 1.00 0.00 C ATOM 736 CD LYS A 49 -4.395 -14.995 -11.412 1.00 0.00 C ATOM 737 CE LYS A 49 -5.428 -16.063 -11.725 1.00 0.00 C ATOM 738 NZ LYS A 49 -4.791 -17.294 -12.265 1.00 0.00 N ATOM 0 H LYS A 49 -5.556 -10.764 -11.680 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.799 -11.588 -8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.562 -12.422 -11.590 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.159 -13.050 -10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.445 -14.017 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.835 -13.401 -11.406 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.879 -14.711 -12.329 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.644 -15.406 -10.737 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.986 -16.307 -10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.146 -15.676 -12.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.524 -18.003 -12.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.279 -17.064 -13.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.124 -17.676 -11.564 1.00 0.00 H new ATOM 752 N PRO A 50 -2.849 -9.974 -8.818 1.00 0.00 N ATOM 753 CA PRO A 50 -1.749 -9.001 -8.724 1.00 0.00 C ATOM 754 C PRO A 50 -0.499 -9.470 -9.470 1.00 0.00 C ATOM 755 O PRO A 50 0.348 -8.669 -9.853 1.00 0.00 O ATOM 756 CB PRO A 50 -1.474 -8.900 -7.220 1.00 0.00 C ATOM 757 CG PRO A 50 -2.073 -10.130 -6.629 1.00 0.00 C ATOM 758 CD PRO A 50 -3.253 -10.474 -7.493 1.00 0.00 C ATOM 0 HA PRO A 50 -2.013 -8.046 -9.179 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.404 -8.847 -7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.923 -8.001 -6.797 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.351 -10.946 -6.612 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.382 -9.957 -5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.444 -11.547 -7.507 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.165 -9.993 -7.141 1.00 0.00 H new ATOM 766 N GLU A 51 -0.410 -10.775 -9.695 1.00 0.00 N ATOM 767 CA GLU A 51 0.706 -11.366 -10.430 1.00 0.00 C ATOM 768 C GLU A 51 0.629 -11.037 -11.924 1.00 0.00 C ATOM 769 O GLU A 51 1.556 -11.329 -12.677 1.00 0.00 O ATOM 770 CB GLU A 51 0.708 -12.885 -10.238 1.00 0.00 C ATOM 771 CG GLU A 51 1.188 -13.338 -8.867 1.00 0.00 C ATOM 772 CD GLU A 51 2.695 -13.495 -8.799 1.00 0.00 C ATOM 773 OE1 GLU A 51 3.203 -14.548 -9.238 1.00 0.00 O ATOM 774 OE2 GLU A 51 3.381 -12.578 -8.304 1.00 0.00 O ATOM 0 H GLU A 51 -1.104 -11.452 -9.376 1.00 0.00 H new ATOM 0 HA GLU A 51 1.630 -10.942 -10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.302 -13.262 -10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.343 -13.336 -11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.868 -12.615 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.716 -14.288 -8.616 1.00 0.00 H new ATOM 781 N GLN A 52 -0.476 -10.425 -12.344 1.00 0.00 N ATOM 782 CA GLN A 52 -0.694 -10.112 -13.755 1.00 0.00 C ATOM 783 C GLN A 52 -0.282 -8.678 -14.077 1.00 0.00 C ATOM 784 O GLN A 52 -0.600 -8.163 -15.148 1.00 0.00 O ATOM 785 CB GLN A 52 -2.167 -10.306 -14.123 1.00 0.00 C ATOM 786 CG GLN A 52 -2.690 -11.711 -13.872 1.00 0.00 C ATOM 787 CD GLN A 52 -4.164 -11.853 -14.210 1.00 0.00 C ATOM 788 OE1 GLN A 52 -4.623 -12.927 -14.589 1.00 0.00 O ATOM 789 NE2 GLN A 52 -4.915 -10.768 -14.075 1.00 0.00 N ATOM 0 H GLN A 52 -1.235 -10.136 -11.727 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.076 -10.793 -14.340 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.769 -9.599 -13.553 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.302 -10.063 -15.177 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.114 -12.421 -14.466 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.534 -11.971 -12.825 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.496 -9.894 -13.757 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.912 -10.808 -14.289 1.00 0.00 H new ATOM 798 N ILE A 53 0.419 -8.038 -13.151 1.00 0.00 N ATOM 799 CA ILE A 53 0.846 -6.660 -13.345 1.00 0.00 C ATOM 800 C ILE A 53 2.108 -6.598 -14.206 1.00 0.00 C ATOM 801 O ILE A 53 3.165 -7.111 -13.832 1.00 0.00 O ATOM 802 CB ILE A 53 1.076 -5.943 -11.994 1.00 0.00 C ATOM 803 CG1 ILE A 53 -0.242 -5.860 -11.215 1.00 0.00 C ATOM 804 CG2 ILE A 53 1.652 -4.551 -12.216 1.00 0.00 C ATOM 805 CD1 ILE A 53 -0.120 -5.190 -9.862 1.00 0.00 C ATOM 0 H ILE A 53 0.703 -8.449 -12.262 1.00 0.00 H new ATOM 0 HA ILE A 53 0.044 -6.139 -13.868 1.00 0.00 H new ATOM 0 HB ILE A 53 1.795 -6.519 -11.411 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.972 -5.315 -11.814 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.633 -6.868 -11.075 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.806 -4.063 -11.253 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.605 -4.631 -12.739 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.958 -3.961 -12.814 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.095 -5.172 -9.376 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.584 -5.746 -9.243 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.240 -4.169 -9.993 1.00 0.00 H new ATOM 817 N ASP A 54 1.972 -5.971 -15.366 1.00 0.00 N ATOM 818 CA ASP A 54 3.048 -5.873 -16.347 1.00 0.00 C ATOM 819 C ASP A 54 2.858 -4.623 -17.202 1.00 0.00 C ATOM 820 O ASP A 54 2.043 -3.763 -16.869 1.00 0.00 O ATOM 821 CB ASP A 54 3.084 -7.125 -17.238 1.00 0.00 C ATOM 822 CG ASP A 54 1.748 -7.450 -17.885 1.00 0.00 C ATOM 823 OD1 ASP A 54 0.919 -6.531 -18.067 1.00 0.00 O ATOM 824 OD2 ASP A 54 1.513 -8.633 -18.207 1.00 0.00 O ATOM 0 H ASP A 54 1.108 -5.513 -15.656 1.00 0.00 H new ATOM 0 HA ASP A 54 3.998 -5.802 -15.817 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.831 -6.984 -18.019 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.405 -7.977 -16.640 1.00 0.00 H new ATOM 829 N ARG A 55 3.594 -4.522 -18.307 1.00 0.00 N ATOM 830 CA ARG A 55 3.490 -3.353 -19.179 1.00 0.00 C ATOM 831 C ARG A 55 2.244 -3.423 -20.052 1.00 0.00 C ATOM 832 O ARG A 55 1.873 -2.444 -20.693 1.00 0.00 O ATOM 833 CB ARG A 55 4.721 -3.205 -20.070 1.00 0.00 C ATOM 834 CG ARG A 55 6.010 -2.970 -19.308 1.00 0.00 C ATOM 835 CD ARG A 55 7.092 -2.402 -20.216 1.00 0.00 C ATOM 836 NE ARG A 55 6.826 -1.008 -20.590 1.00 0.00 N ATOM 837 CZ ARG A 55 6.382 -0.620 -21.788 1.00 0.00 C ATOM 838 NH1 ARG A 55 6.104 -1.517 -22.729 1.00 0.00 N ATOM 839 NH2 ARG A 55 6.206 0.671 -22.051 1.00 0.00 N ATOM 0 H ARG A 55 4.262 -5.227 -18.618 1.00 0.00 H new ATOM 0 HA ARG A 55 3.421 -2.482 -18.527 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.828 -4.105 -20.676 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.561 -2.375 -20.758 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.827 -2.282 -18.482 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.353 -3.908 -18.872 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.056 -2.463 -19.712 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.164 -3.011 -21.117 1.00 0.00 H new ATOM 0 HE ARG A 55 6.991 -0.287 -19.888 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.229 -2.511 -22.539 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.765 -1.211 -23.641 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.410 1.370 -21.336 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.867 0.963 -22.967 1.00 0.00 H new ATOM 853 N TYR A 56 1.605 -4.580 -20.079 1.00 0.00 N ATOM 854 CA TYR A 56 0.371 -4.746 -20.833 1.00 0.00 C ATOM 855 C TYR A 56 -0.797 -4.201 -20.032 1.00 0.00 C ATOM 856 O TYR A 56 -1.655 -3.491 -20.557 1.00 0.00 O ATOM 857 CB TYR A 56 0.125 -6.217 -21.179 1.00 0.00 C ATOM 858 CG TYR A 56 1.102 -6.777 -22.183 1.00 0.00 C ATOM 859 CD1 TYR A 56 1.021 -6.420 -23.522 1.00 0.00 C ATOM 860 CD2 TYR A 56 2.098 -7.664 -21.795 1.00 0.00 C ATOM 861 CE1 TYR A 56 1.907 -6.930 -24.447 1.00 0.00 C ATOM 862 CE2 TYR A 56 2.989 -8.177 -22.717 1.00 0.00 C ATOM 863 CZ TYR A 56 2.889 -7.806 -24.041 1.00 0.00 C ATOM 864 OH TYR A 56 3.772 -8.314 -24.964 1.00 0.00 O ATOM 0 H TYR A 56 1.918 -5.418 -19.589 1.00 0.00 H new ATOM 0 HA TYR A 56 0.465 -4.191 -21.766 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.177 -6.809 -20.265 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.886 -6.324 -21.571 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.253 -5.733 -23.844 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.177 -7.956 -20.758 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.831 -6.644 -25.486 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.760 -8.865 -22.403 1.00 0.00 H new ATOM 0 HH TYR A 56 4.403 -8.916 -24.516 1.00 0.00 H new ATOM 874 N SER A 57 -0.813 -4.531 -18.753 1.00 0.00 N ATOM 875 CA SER A 57 -1.835 -4.043 -17.848 1.00 0.00 C ATOM 876 C SER A 57 -1.590 -2.576 -17.498 1.00 0.00 C ATOM 877 O SER A 57 -2.515 -1.761 -17.511 1.00 0.00 O ATOM 878 CB SER A 57 -1.865 -4.913 -16.592 1.00 0.00 C ATOM 879 OG SER A 57 -0.552 -5.237 -16.174 1.00 0.00 O ATOM 0 H SER A 57 -0.122 -5.141 -18.316 1.00 0.00 H new ATOM 0 HA SER A 57 -2.807 -4.105 -18.338 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.387 -4.387 -15.792 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.424 -5.827 -16.791 1.00 0.00 H new ATOM 0 HG SER A 57 -0.511 -6.186 -15.932 1.00 0.00 H new ATOM 885 N LEU A 58 -0.338 -2.233 -17.218 1.00 0.00 N ATOM 886 CA LEU A 58 0.023 -0.860 -16.876 1.00 0.00 C ATOM 887 C LEU A 58 0.303 -0.033 -18.129 1.00 0.00 C ATOM 888 O LEU A 58 0.875 1.053 -18.039 1.00 0.00 O ATOM 889 CB LEU A 58 1.255 -0.834 -15.968 1.00 0.00 C ATOM 890 CG LEU A 58 1.085 -1.489 -14.595 1.00 0.00 C ATOM 891 CD1 LEU A 58 2.394 -1.441 -13.823 1.00 0.00 C ATOM 892 CD2 LEU A 58 -0.021 -0.805 -13.807 1.00 0.00 C ATOM 0 H LEU A 58 0.445 -2.886 -17.221 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.825 -0.423 -16.348 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.076 -1.329 -16.487 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.552 0.204 -15.820 1.00 0.00 H new ATOM 0 HG LEU A 58 0.804 -2.532 -14.743 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.259 -1.910 -12.848 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.164 -1.975 -14.379 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.698 -0.403 -13.687 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.126 -1.286 -12.834 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.229 0.247 -13.667 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.960 -0.885 -14.354 1.00 0.00 H new ATOM 904 N GLN A 59 -0.117 -0.539 -19.283 1.00 0.00 N ATOM 905 CA GLN A 59 0.126 0.128 -20.563 1.00 0.00 C ATOM 906 C GLN A 59 -0.355 1.577 -20.518 1.00 0.00 C ATOM 907 O GLN A 59 0.372 2.499 -20.892 1.00 0.00 O ATOM 908 CB GLN A 59 -0.576 -0.642 -21.693 1.00 0.00 C ATOM 909 CG GLN A 59 -0.165 -0.222 -23.100 1.00 0.00 C ATOM 910 CD GLN A 59 -0.845 1.051 -23.573 1.00 0.00 C ATOM 911 OE1 GLN A 59 -1.979 1.347 -23.193 1.00 0.00 O ATOM 912 NE2 GLN A 59 -0.156 1.815 -24.403 1.00 0.00 N ATOM 0 H GLN A 59 -0.632 -1.416 -19.361 1.00 0.00 H new ATOM 0 HA GLN A 59 1.199 0.137 -20.756 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.371 -1.706 -21.571 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.653 -0.511 -21.589 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.915 -0.080 -23.128 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.398 -1.029 -23.795 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.781 1.536 -24.695 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.561 2.684 -24.752 1.00 0.00 H new ATOM 921 N ARG A 60 -1.571 1.772 -20.030 1.00 0.00 N ATOM 922 CA ARG A 60 -2.156 3.102 -19.960 1.00 0.00 C ATOM 923 C ARG A 60 -1.437 3.937 -18.904 1.00 0.00 C ATOM 924 O ARG A 60 -1.313 5.149 -19.038 1.00 0.00 O ATOM 925 CB ARG A 60 -3.645 3.014 -19.627 1.00 0.00 C ATOM 926 CG ARG A 60 -4.453 4.190 -20.151 1.00 0.00 C ATOM 927 CD ARG A 60 -5.878 4.161 -19.628 1.00 0.00 C ATOM 928 NE ARG A 60 -6.780 4.964 -20.452 1.00 0.00 N ATOM 929 CZ ARG A 60 -7.142 6.216 -20.176 1.00 0.00 C ATOM 930 NH1 ARG A 60 -6.610 6.859 -19.141 1.00 0.00 N ATOM 931 NH2 ARG A 60 -8.015 6.841 -20.954 1.00 0.00 N ATOM 0 H ARG A 60 -2.171 1.027 -19.677 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.042 3.581 -20.932 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.049 2.091 -20.044 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.765 2.954 -18.545 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.974 5.123 -19.854 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.463 4.169 -21.241 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.233 3.131 -19.600 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.896 4.532 -18.603 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.158 4.536 -21.297 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.919 6.394 -18.552 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.892 7.818 -18.936 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.410 6.363 -21.764 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.292 7.800 -20.742 1.00 0.00 H new ATOM 945 N VAL A 61 -0.943 3.269 -17.866 1.00 0.00 N ATOM 946 CA VAL A 61 -0.251 3.943 -16.774 1.00 0.00 C ATOM 947 C VAL A 61 1.089 4.500 -17.251 1.00 0.00 C ATOM 948 O VAL A 61 1.469 5.613 -16.896 1.00 0.00 O ATOM 949 CB VAL A 61 -0.024 2.991 -15.579 1.00 0.00 C ATOM 950 CG1 VAL A 61 0.685 3.705 -14.436 1.00 0.00 C ATOM 951 CG2 VAL A 61 -1.346 2.406 -15.106 1.00 0.00 C ATOM 0 H VAL A 61 -1.010 2.257 -17.759 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.884 4.766 -16.443 1.00 0.00 H new ATOM 0 HB VAL A 61 0.617 2.175 -15.914 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.832 3.011 -13.609 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.653 4.070 -14.780 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.079 4.546 -14.101 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.167 1.738 -14.264 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.010 3.212 -14.795 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.809 1.848 -15.920 1.00 0.00 H new ATOM 961 N PHE A 62 1.790 3.724 -18.072 1.00 0.00 N ATOM 962 CA PHE A 62 3.051 4.173 -18.653 1.00 0.00 C ATOM 963 C PHE A 62 2.822 5.350 -19.594 1.00 0.00 C ATOM 964 O PHE A 62 3.698 6.199 -19.769 1.00 0.00 O ATOM 965 CB PHE A 62 3.746 3.036 -19.409 1.00 0.00 C ATOM 966 CG PHE A 62 4.437 2.039 -18.518 1.00 0.00 C ATOM 967 CD1 PHE A 62 5.646 2.353 -17.915 1.00 0.00 C ATOM 968 CD2 PHE A 62 3.889 0.787 -18.295 1.00 0.00 C ATOM 969 CE1 PHE A 62 6.291 1.439 -17.103 1.00 0.00 C ATOM 970 CE2 PHE A 62 4.529 -0.132 -17.483 1.00 0.00 C ATOM 971 CZ PHE A 62 5.731 0.195 -16.888 1.00 0.00 C ATOM 0 H PHE A 62 1.507 2.784 -18.349 1.00 0.00 H new ATOM 0 HA PHE A 62 3.696 4.492 -17.834 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.007 2.513 -20.017 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.478 3.464 -20.094 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.089 3.324 -18.082 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.950 0.525 -18.761 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.231 1.697 -16.638 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.089 -1.104 -17.315 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.233 -0.522 -16.255 1.00 0.00 H new ATOM 981 N ASP A 63 1.645 5.398 -20.202 1.00 0.00 N ATOM 982 CA ASP A 63 1.305 6.486 -21.108 1.00 0.00 C ATOM 983 C ASP A 63 0.867 7.715 -20.324 1.00 0.00 C ATOM 984 O ASP A 63 1.230 8.841 -20.659 1.00 0.00 O ATOM 985 CB ASP A 63 0.202 6.064 -22.079 1.00 0.00 C ATOM 986 CG ASP A 63 -0.080 7.125 -23.124 1.00 0.00 C ATOM 987 OD1 ASP A 63 0.788 7.342 -23.998 1.00 0.00 O ATOM 988 OD2 ASP A 63 -1.167 7.740 -23.085 1.00 0.00 O ATOM 0 H ASP A 63 0.912 4.699 -20.085 1.00 0.00 H new ATOM 0 HA ASP A 63 2.196 6.734 -21.685 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.492 5.137 -22.574 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.711 5.855 -21.521 1.00 0.00 H new ATOM 993 N ASN A 64 0.102 7.492 -19.264 1.00 0.00 N ATOM 994 CA ASN A 64 -0.394 8.579 -18.421 1.00 0.00 C ATOM 995 C ASN A 64 0.625 8.941 -17.344 1.00 0.00 C ATOM 996 O ASN A 64 0.293 9.602 -16.361 1.00 0.00 O ATOM 997 CB ASN A 64 -1.722 8.192 -17.756 1.00 0.00 C ATOM 998 CG ASN A 64 -2.849 7.934 -18.744 1.00 0.00 C ATOM 999 OD1 ASN A 64 -3.755 7.142 -18.476 1.00 0.00 O ATOM 1000 ND2 ASN A 64 -2.810 8.595 -19.893 1.00 0.00 N ATOM 0 H ASN A 64 -0.192 6.563 -18.963 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.556 9.445 -19.063 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.569 7.298 -17.152 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.023 8.988 -17.075 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.544 8.455 -20.587 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.046 9.243 -20.083 1.00 0.00 H new ATOM 1007 N ALA A 65 1.871 8.525 -17.550 1.00 0.00 N ATOM 1008 CA ALA A 65 2.939 8.753 -16.580 1.00 0.00 C ATOM 1009 C ALA A 65 3.180 10.242 -16.344 1.00 0.00 C ATOM 1010 O ALA A 65 3.647 10.643 -15.281 1.00 0.00 O ATOM 1011 CB ALA A 65 4.220 8.078 -17.043 1.00 0.00 C ATOM 0 H ALA A 65 2.168 8.024 -18.387 1.00 0.00 H new ATOM 0 HA ALA A 65 2.625 8.316 -15.632 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.009 8.255 -16.312 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.051 7.006 -17.142 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.520 8.489 -18.007 1.00 0.00 H new ATOM 1017 N ASN A 66 2.844 11.059 -17.333 1.00 0.00 N ATOM 1018 CA ASN A 66 2.998 12.507 -17.221 1.00 0.00 C ATOM 1019 C ASN A 66 1.994 13.096 -16.228 1.00 0.00 C ATOM 1020 O ASN A 66 2.068 14.273 -15.879 1.00 0.00 O ATOM 1021 CB ASN A 66 2.835 13.177 -18.593 1.00 0.00 C ATOM 1022 CG ASN A 66 1.491 12.886 -19.241 1.00 0.00 C ATOM 1023 OD1 ASN A 66 0.516 13.607 -19.030 1.00 0.00 O ATOM 1024 ND2 ASN A 66 1.433 11.832 -20.041 1.00 0.00 N ATOM 0 H ASN A 66 2.462 10.745 -18.225 1.00 0.00 H new ATOM 0 HA ASN A 66 4.003 12.704 -16.849 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.952 14.255 -18.481 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.632 12.837 -19.254 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.558 11.594 -20.508 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.263 11.259 -20.190 1.00 0.00 H new ATOM 1031 N ALA A 67 1.057 12.273 -15.773 1.00 0.00 N ATOM 1032 CA ALA A 67 0.057 12.712 -14.814 1.00 0.00 C ATOM 1033 C ALA A 67 0.111 11.865 -13.547 1.00 0.00 C ATOM 1034 O ALA A 67 -0.782 11.939 -12.703 1.00 0.00 O ATOM 1035 CB ALA A 67 -1.330 12.647 -15.437 1.00 0.00 C ATOM 0 H ALA A 67 0.971 11.297 -16.055 1.00 0.00 H new ATOM 0 HA ALA A 67 0.273 13.745 -14.540 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.071 12.978 -14.710 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.366 13.295 -16.313 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.547 11.621 -15.735 1.00 0.00 H new ATOM 1041 N ILE A 68 1.166 11.069 -13.410 1.00 0.00 N ATOM 1042 CA ILE A 68 1.306 10.176 -12.264 1.00 0.00 C ATOM 1043 C ILE A 68 2.733 10.208 -11.720 1.00 0.00 C ATOM 1044 O ILE A 68 3.683 9.889 -12.434 1.00 0.00 O ATOM 1045 CB ILE A 68 0.952 8.714 -12.640 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -0.483 8.627 -13.173 1.00 0.00 C ATOM 1047 CG2 ILE A 68 1.130 7.795 -11.437 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -0.852 7.262 -13.710 1.00 0.00 C ATOM 0 H ILE A 68 1.936 11.023 -14.077 1.00 0.00 H new ATOM 0 HA ILE A 68 0.613 10.529 -11.501 1.00 0.00 H new ATOM 0 HB ILE A 68 1.632 8.388 -13.427 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.175 8.892 -12.373 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.612 9.366 -13.964 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.877 6.773 -11.719 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.166 7.833 -11.100 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.474 8.121 -10.630 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.881 7.278 -14.069 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.185 7.002 -14.532 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.756 6.521 -12.917 1.00 0.00 H new ATOM 1060 N ASP A 69 2.886 10.604 -10.462 1.00 0.00 N ATOM 1061 CA ASP A 69 4.194 10.567 -9.815 1.00 0.00 C ATOM 1062 C ASP A 69 4.208 9.523 -8.706 1.00 0.00 C ATOM 1063 O ASP A 69 5.256 8.984 -8.363 1.00 0.00 O ATOM 1064 CB ASP A 69 4.621 11.948 -9.273 1.00 0.00 C ATOM 1065 CG ASP A 69 3.704 12.524 -8.203 1.00 0.00 C ATOM 1066 OD1 ASP A 69 3.492 11.870 -7.163 1.00 0.00 O ATOM 1067 OD2 ASP A 69 3.228 13.666 -8.382 1.00 0.00 O ATOM 0 H ASP A 69 2.129 10.952 -9.873 1.00 0.00 H new ATOM 0 HA ASP A 69 4.923 10.287 -10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.628 11.867 -8.864 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.671 12.650 -10.105 1.00 0.00 H new ATOM 1072 N THR A 70 3.036 9.223 -8.166 1.00 0.00 N ATOM 1073 CA THR A 70 2.913 8.216 -7.127 1.00 0.00 C ATOM 1074 C THR A 70 1.890 7.157 -7.530 1.00 0.00 C ATOM 1075 O THR A 70 0.754 7.480 -7.879 1.00 0.00 O ATOM 1076 CB THR A 70 2.496 8.843 -5.779 1.00 0.00 C ATOM 1077 OG1 THR A 70 3.402 9.896 -5.425 1.00 0.00 O ATOM 1078 CG2 THR A 70 2.481 7.796 -4.672 1.00 0.00 C ATOM 0 H THR A 70 2.156 9.665 -8.432 1.00 0.00 H new ATOM 0 HA THR A 70 3.892 7.752 -7.005 1.00 0.00 H new ATOM 0 HB THR A 70 1.490 9.247 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.154 10.715 -5.903 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.184 8.263 -3.733 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.771 7.008 -4.926 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.477 7.366 -4.564 1.00 0.00 H new ATOM 1086 N LEU A 71 2.299 5.900 -7.496 1.00 0.00 N ATOM 1087 CA LEU A 71 1.410 4.798 -7.821 1.00 0.00 C ATOM 1088 C LEU A 71 1.223 3.907 -6.603 1.00 0.00 C ATOM 1089 O LEU A 71 2.122 3.149 -6.231 1.00 0.00 O ATOM 1090 CB LEU A 71 1.960 3.986 -8.997 1.00 0.00 C ATOM 1091 CG LEU A 71 1.090 2.810 -9.451 1.00 0.00 C ATOM 1092 CD1 LEU A 71 -0.268 3.297 -9.933 1.00 0.00 C ATOM 1093 CD2 LEU A 71 1.790 2.025 -10.548 1.00 0.00 C ATOM 0 H LEU A 71 3.246 5.617 -7.245 1.00 0.00 H new ATOM 0 HA LEU A 71 0.443 5.206 -8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.103 4.657 -9.844 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.943 3.603 -8.723 1.00 0.00 H new ATOM 0 HG LEU A 71 0.934 2.152 -8.596 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.869 2.445 -10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.777 3.817 -9.122 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.133 3.979 -10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.159 1.193 -10.859 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.976 2.678 -11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.738 1.640 -10.172 1.00 0.00 H new ATOM 1105 N ILE A 72 0.066 4.017 -5.977 1.00 0.00 N ATOM 1106 CA ILE A 72 -0.243 3.223 -4.803 1.00 0.00 C ATOM 1107 C ILE A 72 -1.115 2.046 -5.203 1.00 0.00 C ATOM 1108 O ILE A 72 -2.236 2.224 -5.685 1.00 0.00 O ATOM 1109 CB ILE A 72 -0.954 4.057 -3.718 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -0.111 5.284 -3.360 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -1.210 3.208 -2.480 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -0.761 6.193 -2.341 1.00 0.00 C ATOM 0 H ILE A 72 -0.679 4.652 -6.264 1.00 0.00 H new ATOM 0 HA ILE A 72 0.696 2.865 -4.381 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.914 4.395 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.853 4.951 -2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.088 5.854 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.712 3.810 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.840 2.359 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.261 2.846 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.105 7.040 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.712 6.556 -2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.935 5.639 -1.418 1.00 0.00 H new ATOM 1124 N VAL A 73 -0.593 0.848 -5.025 1.00 0.00 N ATOM 1125 CA VAL A 73 -1.287 -0.346 -5.462 1.00 0.00 C ATOM 1126 C VAL A 73 -1.829 -1.129 -4.276 1.00 0.00 C ATOM 1127 O VAL A 73 -1.066 -1.649 -3.458 1.00 0.00 O ATOM 1128 CB VAL A 73 -0.368 -1.261 -6.302 1.00 0.00 C ATOM 1129 CG1 VAL A 73 -1.124 -2.491 -6.787 1.00 0.00 C ATOM 1130 CG2 VAL A 73 0.216 -0.495 -7.480 1.00 0.00 C ATOM 0 H VAL A 73 0.309 0.676 -4.581 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.119 -0.018 -6.085 1.00 0.00 H new ATOM 0 HB VAL A 73 0.452 -1.595 -5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.456 -3.120 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.490 -3.055 -5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.967 -2.180 -7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.860 -1.156 -8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.592 -0.129 -8.113 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.799 0.349 -7.112 1.00 0.00 H new ATOM 1140 N GLY A 74 -3.149 -1.182 -4.181 1.00 0.00 N ATOM 1141 CA GLY A 74 -3.790 -2.051 -3.222 1.00 0.00 C ATOM 1142 C GLY A 74 -3.933 -3.433 -3.806 1.00 0.00 C ATOM 1143 O GLY A 74 -4.894 -3.711 -4.521 1.00 0.00 O ATOM 0 H GLY A 74 -3.789 -0.634 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.203 -2.092 -2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.770 -1.655 -2.956 1.00 0.00 H new ATOM 1147 N THR A 75 -2.968 -4.291 -3.508 1.00 0.00 N ATOM 1148 CA THR A 75 -2.819 -5.566 -4.195 1.00 0.00 C ATOM 1149 C THR A 75 -3.957 -6.549 -3.910 1.00 0.00 C ATOM 1150 O THR A 75 -4.095 -7.556 -4.603 1.00 0.00 O ATOM 1151 CB THR A 75 -1.462 -6.197 -3.847 1.00 0.00 C ATOM 1152 OG1 THR A 75 -1.234 -6.134 -2.432 1.00 0.00 O ATOM 1153 CG2 THR A 75 -0.343 -5.466 -4.575 1.00 0.00 C ATOM 0 H THR A 75 -2.268 -4.124 -2.785 1.00 0.00 H new ATOM 0 HA THR A 75 -2.864 -5.352 -5.263 1.00 0.00 H new ATOM 0 HB THR A 75 -1.474 -7.241 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.602 -6.936 -2.005 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.614 -5.921 -4.321 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.503 -5.534 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.337 -4.418 -4.275 1.00 0.00 H new ATOM 1161 N GLY A 76 -4.768 -6.259 -2.900 1.00 0.00 N ATOM 1162 CA GLY A 76 -5.953 -7.060 -2.653 1.00 0.00 C ATOM 1163 C GLY A 76 -5.693 -8.270 -1.776 1.00 0.00 C ATOM 1164 O GLY A 76 -4.855 -9.112 -2.100 1.00 0.00 O ATOM 0 H GLY A 76 -4.628 -5.486 -2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.712 -6.436 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.362 -7.393 -3.607 1.00 0.00 H new ATOM 1168 N ALA A 77 -6.403 -8.324 -0.646 1.00 0.00 N ATOM 1169 CA ALA A 77 -6.400 -9.467 0.280 1.00 0.00 C ATOM 1170 C ALA A 77 -5.134 -9.505 1.126 1.00 0.00 C ATOM 1171 O ALA A 77 -5.192 -9.722 2.335 1.00 0.00 O ATOM 1172 CB ALA A 77 -6.599 -10.787 -0.457 1.00 0.00 C ATOM 0 H ALA A 77 -7.008 -7.562 -0.341 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.245 -9.330 0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.591 -11.608 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.555 -10.771 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.793 -10.926 -1.178 1.00 0.00 H new ATOM 1178 N ASP A 78 -4.006 -9.274 0.491 1.00 0.00 N ATOM 1179 CA ASP A 78 -2.721 -9.276 1.174 1.00 0.00 C ATOM 1180 C ASP A 78 -1.756 -8.362 0.440 1.00 0.00 C ATOM 1181 O ASP A 78 -2.108 -7.791 -0.593 1.00 0.00 O ATOM 1182 CB ASP A 78 -2.150 -10.697 1.282 1.00 0.00 C ATOM 1183 CG ASP A 78 -1.608 -11.243 -0.028 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -2.412 -11.663 -0.888 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -0.368 -11.292 -0.184 1.00 0.00 O ATOM 0 H ASP A 78 -3.948 -9.080 -0.509 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.864 -8.905 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.352 -10.702 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.930 -11.365 1.648 1.00 0.00 H new ATOM 1190 N VAL A 79 -0.552 -8.212 0.971 1.00 0.00 N ATOM 1191 CA VAL A 79 0.418 -7.298 0.390 1.00 0.00 C ATOM 1192 C VAL A 79 1.316 -8.021 -0.607 1.00 0.00 C ATOM 1193 O VAL A 79 2.186 -8.805 -0.227 1.00 0.00 O ATOM 1194 CB VAL A 79 1.292 -6.623 1.467 1.00 0.00 C ATOM 1195 CG1 VAL A 79 2.194 -5.571 0.840 1.00 0.00 C ATOM 1196 CG2 VAL A 79 0.427 -6.008 2.558 1.00 0.00 C ATOM 0 H VAL A 79 -0.225 -8.709 1.799 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.150 -6.524 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 79 1.921 -7.387 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.803 -5.105 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.843 -6.042 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.583 -4.811 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.065 -5.538 3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.232 -5.258 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.172 -6.787 3.030 1.00 0.00 H new ATOM 1206 N TRP A 80 1.093 -7.757 -1.881 1.00 0.00 N ATOM 1207 CA TRP A 80 1.898 -8.340 -2.938 1.00 0.00 C ATOM 1208 C TRP A 80 3.048 -7.401 -3.289 1.00 0.00 C ATOM 1209 O TRP A 80 2.827 -6.263 -3.704 1.00 0.00 O ATOM 1210 CB TRP A 80 1.019 -8.618 -4.163 1.00 0.00 C ATOM 1211 CG TRP A 80 1.763 -9.123 -5.360 1.00 0.00 C ATOM 1212 CD1 TRP A 80 2.142 -10.409 -5.606 1.00 0.00 C ATOM 1213 CD2 TRP A 80 2.197 -8.354 -6.489 1.00 0.00 C ATOM 1214 NE1 TRP A 80 2.787 -10.485 -6.815 1.00 0.00 N ATOM 1215 CE2 TRP A 80 2.834 -9.238 -7.376 1.00 0.00 C ATOM 1216 CE3 TRP A 80 2.106 -7.003 -6.836 1.00 0.00 C ATOM 1217 CZ2 TRP A 80 3.382 -8.815 -8.585 1.00 0.00 C ATOM 1218 CZ3 TRP A 80 2.649 -6.585 -8.034 1.00 0.00 C ATOM 1219 CH2 TRP A 80 3.278 -7.488 -8.899 1.00 0.00 C ATOM 0 H TRP A 80 0.354 -7.136 -2.211 1.00 0.00 H new ATOM 0 HA TRP A 80 2.321 -9.285 -2.598 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.258 -9.348 -3.890 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.497 -7.701 -4.436 1.00 0.00 H new ATOM 0 HD1 TRP A 80 1.961 -11.245 -4.947 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.170 -11.335 -7.229 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.619 -6.298 -6.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 3.872 -9.510 -9.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.587 -5.542 -8.309 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.689 -7.130 -9.832 1.00 0.00 H new ATOM 1230 N ILE A 81 4.270 -7.869 -3.090 1.00 0.00 N ATOM 1231 CA ILE A 81 5.447 -7.065 -3.377 1.00 0.00 C ATOM 1232 C ILE A 81 5.860 -7.232 -4.833 1.00 0.00 C ATOM 1233 O ILE A 81 6.209 -8.332 -5.268 1.00 0.00 O ATOM 1234 CB ILE A 81 6.627 -7.434 -2.450 1.00 0.00 C ATOM 1235 CG1 ILE A 81 6.231 -7.220 -0.985 1.00 0.00 C ATOM 1236 CG2 ILE A 81 7.861 -6.608 -2.800 1.00 0.00 C ATOM 1237 CD1 ILE A 81 7.323 -7.576 0.004 1.00 0.00 C ATOM 0 H ILE A 81 4.473 -8.802 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 81 5.186 -6.023 -3.193 1.00 0.00 H new ATOM 0 HB ILE A 81 6.871 -8.486 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.952 -6.176 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.347 -7.819 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 81 8.682 -6.881 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 81 8.149 -6.803 -3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.635 -5.548 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.967 -7.398 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.587 -8.628 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 81 8.201 -6.959 -0.186 1.00 0.00 H new ATOM 1249 N ALA A 82 5.795 -6.136 -5.581 1.00 0.00 N ATOM 1250 CA ALA A 82 6.130 -6.144 -6.998 1.00 0.00 C ATOM 1251 C ALA A 82 7.608 -6.450 -7.216 1.00 0.00 C ATOM 1252 O ALA A 82 8.462 -5.989 -6.456 1.00 0.00 O ATOM 1253 CB ALA A 82 5.768 -4.808 -7.629 1.00 0.00 C ATOM 0 H ALA A 82 5.511 -5.224 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 82 5.551 -6.933 -7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.023 -4.825 -8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.699 -4.630 -7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.323 -4.010 -7.135 1.00 0.00 H new ATOM 1259 N PRO A 83 7.922 -7.245 -8.254 1.00 0.00 N ATOM 1260 CA PRO A 83 9.302 -7.594 -8.605 1.00 0.00 C ATOM 1261 C PRO A 83 10.186 -6.362 -8.782 1.00 0.00 C ATOM 1262 O PRO A 83 9.727 -5.311 -9.241 1.00 0.00 O ATOM 1263 CB PRO A 83 9.157 -8.347 -9.930 1.00 0.00 C ATOM 1264 CG PRO A 83 7.777 -8.898 -9.896 1.00 0.00 C ATOM 1265 CD PRO A 83 6.951 -7.882 -9.163 1.00 0.00 C ATOM 0 HA PRO A 83 9.785 -8.178 -7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.298 -7.682 -10.782 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.899 -9.140 -10.019 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.395 -9.059 -10.904 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.753 -9.862 -9.388 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.505 -7.159 -9.845 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.133 -8.349 -8.614 1.00 0.00 H new ATOM 1273 N ARG A 84 11.457 -6.512 -8.430 1.00 0.00 N ATOM 1274 CA ARG A 84 12.411 -5.407 -8.439 1.00 0.00 C ATOM 1275 C ARG A 84 12.483 -4.719 -9.803 1.00 0.00 C ATOM 1276 O ARG A 84 12.524 -3.493 -9.879 1.00 0.00 O ATOM 1277 CB ARG A 84 13.799 -5.908 -8.021 1.00 0.00 C ATOM 1278 CG ARG A 84 14.351 -7.017 -8.907 1.00 0.00 C ATOM 1279 CD ARG A 84 15.703 -7.505 -8.416 1.00 0.00 C ATOM 1280 NE ARG A 84 16.714 -6.450 -8.439 1.00 0.00 N ATOM 1281 CZ ARG A 84 17.740 -6.383 -7.593 1.00 0.00 C ATOM 1282 NH1 ARG A 84 17.868 -7.286 -6.628 1.00 0.00 N ATOM 1283 NH2 ARG A 84 18.639 -5.416 -7.710 1.00 0.00 N ATOM 0 H ARG A 84 11.856 -7.401 -8.130 1.00 0.00 H new ATOM 0 HA ARG A 84 12.061 -4.665 -7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.495 -5.069 -8.031 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.749 -6.269 -6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.649 -7.850 -8.928 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.445 -6.653 -9.930 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.602 -7.887 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 84 16.034 -8.337 -9.038 1.00 0.00 H new ATOM 0 HE ARG A 84 16.628 -5.720 -9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.180 -8.033 -6.534 1.00 0.00 H new ATOM 0 HH12 ARG A 84 18.655 -7.233 -5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 84 18.546 -4.720 -8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 84 19.424 -5.368 -7.060 1.00 0.00 H new ATOM 1297 N GLN A 85 12.474 -5.502 -10.876 1.00 0.00 N ATOM 1298 CA GLN A 85 12.615 -4.943 -12.214 1.00 0.00 C ATOM 1299 C GLN A 85 11.363 -4.166 -12.612 1.00 0.00 C ATOM 1300 O GLN A 85 11.449 -3.125 -13.262 1.00 0.00 O ATOM 1301 CB GLN A 85 12.901 -6.041 -13.239 1.00 0.00 C ATOM 1302 CG GLN A 85 13.433 -5.499 -14.557 1.00 0.00 C ATOM 1303 CD GLN A 85 14.766 -4.793 -14.388 1.00 0.00 C ATOM 1304 OE1 GLN A 85 15.580 -5.175 -13.545 1.00 0.00 O ATOM 1305 NE2 GLN A 85 14.990 -3.746 -15.167 1.00 0.00 N ATOM 0 H GLN A 85 12.372 -6.516 -10.846 1.00 0.00 H new ATOM 0 HA GLN A 85 13.461 -4.256 -12.199 1.00 0.00 H new ATOM 0 HB2 GLN A 85 13.625 -6.741 -12.821 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.986 -6.603 -13.426 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.545 -6.319 -15.267 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.708 -4.806 -14.983 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.291 -3.462 -15.853 1.00 0.00 H new ATOM 0 HE22 GLN A 85 15.862 -3.224 -15.081 1.00 0.00 H new ATOM 1314 N LEU A 86 10.202 -4.670 -12.205 1.00 0.00 N ATOM 1315 CA LEU A 86 8.937 -3.999 -12.483 1.00 0.00 C ATOM 1316 C LEU A 86 8.888 -2.666 -11.742 1.00 0.00 C ATOM 1317 O LEU A 86 8.479 -1.641 -12.294 1.00 0.00 O ATOM 1318 CB LEU A 86 7.763 -4.887 -12.057 1.00 0.00 C ATOM 1319 CG LEU A 86 6.370 -4.313 -12.327 1.00 0.00 C ATOM 1320 CD1 LEU A 86 6.134 -4.146 -13.823 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.305 -5.209 -11.713 1.00 0.00 C ATOM 0 H LEU A 86 10.111 -5.541 -11.682 1.00 0.00 H new ATOM 0 HA LEU A 86 8.860 -3.813 -13.554 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.849 -5.844 -12.572 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.852 -5.090 -10.990 1.00 0.00 H new ATOM 0 HG LEU A 86 6.307 -3.328 -11.864 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.138 -3.737 -13.991 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.880 -3.466 -14.235 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.215 -5.115 -14.315 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.318 -4.790 -11.912 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.371 -6.205 -12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.461 -5.274 -10.636 1.00 0.00 H new ATOM 1333 N ARG A 87 9.331 -2.696 -10.492 1.00 0.00 N ATOM 1334 CA ARG A 87 9.406 -1.501 -9.666 1.00 0.00 C ATOM 1335 C ARG A 87 10.366 -0.492 -10.285 1.00 0.00 C ATOM 1336 O ARG A 87 10.074 0.703 -10.355 1.00 0.00 O ATOM 1337 CB ARG A 87 9.874 -1.880 -8.260 1.00 0.00 C ATOM 1338 CG ARG A 87 9.804 -0.747 -7.249 1.00 0.00 C ATOM 1339 CD ARG A 87 10.383 -1.185 -5.916 1.00 0.00 C ATOM 1340 NE ARG A 87 10.124 -0.225 -4.843 1.00 0.00 N ATOM 1341 CZ ARG A 87 10.425 -0.458 -3.565 1.00 0.00 C ATOM 1342 NH1 ARG A 87 11.070 -1.570 -3.229 1.00 0.00 N ATOM 1343 NH2 ARG A 87 10.104 0.426 -2.627 1.00 0.00 N ATOM 0 H ARG A 87 9.647 -3.546 -10.025 1.00 0.00 H new ATOM 0 HA ARG A 87 8.418 -1.046 -9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.267 -2.710 -7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.902 -2.238 -8.316 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.353 0.117 -7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.768 -0.434 -7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.961 -2.152 -5.642 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.459 -1.325 -6.021 1.00 0.00 H new ATOM 0 HE ARG A 87 9.692 0.667 -5.084 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.334 -2.244 -3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.301 -1.750 -2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.624 1.289 -2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.337 0.242 -1.651 1.00 0.00 H new ATOM 1357 N GLU A 88 11.504 -0.991 -10.752 1.00 0.00 N ATOM 1358 CA GLU A 88 12.526 -0.151 -11.357 1.00 0.00 C ATOM 1359 C GLU A 88 12.035 0.458 -12.668 1.00 0.00 C ATOM 1360 O GLU A 88 12.404 1.577 -13.011 1.00 0.00 O ATOM 1361 CB GLU A 88 13.801 -0.962 -11.588 1.00 0.00 C ATOM 1362 CG GLU A 88 14.950 -0.153 -12.161 1.00 0.00 C ATOM 1363 CD GLU A 88 16.254 -0.917 -12.146 1.00 0.00 C ATOM 1364 OE1 GLU A 88 16.534 -1.655 -13.112 1.00 0.00 O ATOM 1365 OE2 GLU A 88 17.010 -0.784 -11.158 1.00 0.00 O ATOM 0 H GLU A 88 11.742 -1.982 -10.722 1.00 0.00 H new ATOM 0 HA GLU A 88 12.745 0.667 -10.671 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.116 -1.402 -10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.577 -1.787 -12.265 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.713 0.136 -13.185 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.064 0.767 -11.588 1.00 0.00 H new ATOM 1372 N ALA A 89 11.198 -0.276 -13.392 1.00 0.00 N ATOM 1373 CA ALA A 89 10.615 0.230 -14.630 1.00 0.00 C ATOM 1374 C ALA A 89 9.781 1.479 -14.362 1.00 0.00 C ATOM 1375 O ALA A 89 9.885 2.478 -15.077 1.00 0.00 O ATOM 1376 CB ALA A 89 9.768 -0.843 -15.299 1.00 0.00 C ATOM 0 H ALA A 89 10.908 -1.222 -13.144 1.00 0.00 H new ATOM 0 HA ALA A 89 11.427 0.499 -15.305 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.341 -0.448 -16.221 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.391 -1.707 -15.529 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.964 -1.144 -14.627 1.00 0.00 H new ATOM 1382 N LEU A 90 8.967 1.421 -13.315 1.00 0.00 N ATOM 1383 CA LEU A 90 8.134 2.555 -12.926 1.00 0.00 C ATOM 1384 C LEU A 90 8.989 3.688 -12.363 1.00 0.00 C ATOM 1385 O LEU A 90 8.782 4.859 -12.689 1.00 0.00 O ATOM 1386 CB LEU A 90 7.094 2.117 -11.894 1.00 0.00 C ATOM 1387 CG LEU A 90 6.074 1.093 -12.397 1.00 0.00 C ATOM 1388 CD1 LEU A 90 5.189 0.617 -11.258 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.228 1.687 -13.513 1.00 0.00 C ATOM 0 H LEU A 90 8.865 0.600 -12.719 1.00 0.00 H new ATOM 0 HA LEU A 90 7.619 2.922 -13.814 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.614 1.697 -11.033 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.558 2.999 -11.544 1.00 0.00 H new ATOM 0 HG LEU A 90 6.617 0.235 -12.794 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.470 -0.110 -11.635 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.805 0.153 -10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.656 1.467 -10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.508 0.945 -13.858 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.696 2.562 -13.140 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.873 1.980 -14.342 1.00 0.00 H new ATOM 1401 N ARG A 91 9.959 3.333 -11.530 1.00 0.00 N ATOM 1402 CA ARG A 91 10.838 4.320 -10.908 1.00 0.00 C ATOM 1403 C ARG A 91 11.793 4.936 -11.925 1.00 0.00 C ATOM 1404 O ARG A 91 12.334 6.020 -11.702 1.00 0.00 O ATOM 1405 CB ARG A 91 11.637 3.672 -9.775 1.00 0.00 C ATOM 1406 CG ARG A 91 10.843 3.465 -8.495 1.00 0.00 C ATOM 1407 CD ARG A 91 10.939 4.674 -7.575 1.00 0.00 C ATOM 1408 NE ARG A 91 10.425 5.899 -8.188 1.00 0.00 N ATOM 1409 CZ ARG A 91 11.032 7.086 -8.099 1.00 0.00 C ATOM 1410 NH1 ARG A 91 12.204 7.195 -7.488 1.00 0.00 N ATOM 1411 NH2 ARG A 91 10.476 8.163 -8.635 1.00 0.00 N ATOM 0 H ARG A 91 10.159 2.368 -11.268 1.00 0.00 H new ATOM 0 HA ARG A 91 10.212 5.116 -10.505 1.00 0.00 H new ATOM 0 HB2 ARG A 91 12.014 2.708 -10.116 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.505 4.294 -9.555 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.798 3.276 -8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.213 2.581 -7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.384 4.472 -6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.980 4.826 -7.290 1.00 0.00 H new ATOM 0 HE ARG A 91 9.553 5.844 -8.714 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.647 6.370 -7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.663 8.104 -7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.581 8.088 -9.118 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.943 9.067 -8.564 1.00 0.00 H new ATOM 1425 N GLY A 92 12.002 4.236 -13.028 1.00 0.00 N ATOM 1426 CA GLY A 92 12.888 4.719 -14.065 1.00 0.00 C ATOM 1427 C GLY A 92 12.364 5.968 -14.742 1.00 0.00 C ATOM 1428 O GLY A 92 13.133 6.874 -15.063 1.00 0.00 O ATOM 0 H GLY A 92 11.569 3.333 -13.225 1.00 0.00 H new ATOM 0 HA2 GLY A 92 13.867 4.927 -13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 92 13.028 3.937 -14.811 1.00 0.00 H new ATOM 1432 N VAL A 93 11.057 6.023 -14.961 1.00 0.00 N ATOM 1433 CA VAL A 93 10.458 7.178 -15.611 1.00 0.00 C ATOM 1434 C VAL A 93 10.228 8.316 -14.619 1.00 0.00 C ATOM 1435 O VAL A 93 10.585 9.460 -14.904 1.00 0.00 O ATOM 1436 CB VAL A 93 9.141 6.829 -16.351 1.00 0.00 C ATOM 1437 CG1 VAL A 93 9.424 5.931 -17.544 1.00 0.00 C ATOM 1438 CG2 VAL A 93 8.134 6.165 -15.422 1.00 0.00 C ATOM 0 H VAL A 93 10.398 5.289 -14.701 1.00 0.00 H new ATOM 0 HA VAL A 93 11.173 7.511 -16.364 1.00 0.00 H new ATOM 0 HB VAL A 93 8.705 7.764 -16.704 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.489 5.696 -18.052 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.093 6.444 -18.235 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.893 5.009 -17.202 1.00 0.00 H new ATOM 0 HG21 VAL A 93 7.224 5.935 -15.976 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.559 5.243 -15.024 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.897 6.840 -14.600 1.00 0.00 H new ATOM 1448 N ASN A 94 9.676 7.986 -13.447 1.00 0.00 N ATOM 1449 CA ASN A 94 9.374 8.982 -12.402 1.00 0.00 C ATOM 1450 C ASN A 94 8.444 8.402 -11.334 1.00 0.00 C ATOM 1451 O ASN A 94 8.407 8.885 -10.204 1.00 0.00 O ATOM 1452 CB ASN A 94 8.700 10.234 -12.987 1.00 0.00 C ATOM 1453 CG ASN A 94 8.630 11.382 -11.991 1.00 0.00 C ATOM 1454 OD1 ASN A 94 9.511 11.547 -11.145 1.00 0.00 O ATOM 1455 ND2 ASN A 94 7.581 12.185 -12.080 1.00 0.00 N ATOM 0 H ASN A 94 9.426 7.030 -13.193 1.00 0.00 H new ATOM 0 HA ASN A 94 10.331 9.255 -11.957 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.249 10.558 -13.871 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.692 9.980 -13.314 1.00 0.00 H new ATOM 0 HD21 ASN A 94 7.483 12.970 -11.436 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.871 12.019 -12.793 1.00 0.00 H new ATOM 1462 N VAL A 95 7.711 7.355 -11.684 1.00 0.00 N ATOM 1463 CA VAL A 95 6.633 6.859 -10.839 1.00 0.00 C ATOM 1464 C VAL A 95 7.162 6.208 -9.563 1.00 0.00 C ATOM 1465 O VAL A 95 8.013 5.319 -9.606 1.00 0.00 O ATOM 1466 CB VAL A 95 5.750 5.848 -11.603 1.00 0.00 C ATOM 1467 CG1 VAL A 95 4.587 5.384 -10.740 1.00 0.00 C ATOM 1468 CG2 VAL A 95 5.245 6.457 -12.902 1.00 0.00 C ATOM 0 H VAL A 95 7.843 6.831 -12.549 1.00 0.00 H new ATOM 0 HA VAL A 95 6.032 7.724 -10.560 1.00 0.00 H new ATOM 0 HB VAL A 95 6.360 4.977 -11.845 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.980 4.673 -11.300 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.971 4.904 -9.840 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.976 6.242 -10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.625 5.731 -13.427 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.655 7.346 -12.682 1.00 0.00 H new ATOM 0 HG23 VAL A 95 6.093 6.731 -13.529 1.00 0.00 H new ATOM 1478 N VAL A 96 6.672 6.682 -8.428 1.00 0.00 N ATOM 1479 CA VAL A 96 6.974 6.073 -7.144 1.00 0.00 C ATOM 1480 C VAL A 96 5.968 4.964 -6.859 1.00 0.00 C ATOM 1481 O VAL A 96 4.795 5.233 -6.602 1.00 0.00 O ATOM 1482 CB VAL A 96 6.931 7.104 -5.995 1.00 0.00 C ATOM 1483 CG1 VAL A 96 7.282 6.446 -4.668 1.00 0.00 C ATOM 1484 CG2 VAL A 96 7.867 8.270 -6.282 1.00 0.00 C ATOM 0 H VAL A 96 6.058 7.494 -8.372 1.00 0.00 H new ATOM 0 HA VAL A 96 7.984 5.668 -7.197 1.00 0.00 H new ATOM 0 HB VAL A 96 5.915 7.493 -5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.246 7.190 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.566 5.652 -4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.286 6.024 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.821 8.984 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 96 8.887 7.901 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 96 7.564 8.761 -7.207 1.00 0.00 H new ATOM 1494 N LEU A 97 6.424 3.725 -6.935 1.00 0.00 N ATOM 1495 CA LEU A 97 5.557 2.580 -6.699 1.00 0.00 C ATOM 1496 C LEU A 97 5.498 2.252 -5.215 1.00 0.00 C ATOM 1497 O LEU A 97 6.531 2.043 -4.576 1.00 0.00 O ATOM 1498 CB LEU A 97 6.059 1.362 -7.482 1.00 0.00 C ATOM 1499 CG LEU A 97 5.258 0.074 -7.273 1.00 0.00 C ATOM 1500 CD1 LEU A 97 3.825 0.248 -7.750 1.00 0.00 C ATOM 1501 CD2 LEU A 97 5.925 -1.087 -7.993 1.00 0.00 C ATOM 0 H LEU A 97 7.390 3.485 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 97 4.554 2.834 -7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.053 1.606 -8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.096 1.174 -7.204 1.00 0.00 H new ATOM 0 HG LEU A 97 5.236 -0.148 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.274 -0.679 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.350 1.053 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.822 0.495 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.344 -1.995 -7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.978 -0.871 -9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.932 -1.228 -7.601 1.00 0.00 H new ATOM 1513 N ASP A 98 4.295 2.217 -4.668 1.00 0.00 N ATOM 1514 CA ASP A 98 4.112 1.876 -3.266 1.00 0.00 C ATOM 1515 C ASP A 98 3.033 0.809 -3.125 1.00 0.00 C ATOM 1516 O ASP A 98 1.866 1.039 -3.451 1.00 0.00 O ATOM 1517 CB ASP A 98 3.752 3.122 -2.453 1.00 0.00 C ATOM 1518 CG ASP A 98 3.930 2.911 -0.964 1.00 0.00 C ATOM 1519 OD1 ASP A 98 4.886 2.206 -0.570 1.00 0.00 O ATOM 1520 OD2 ASP A 98 3.147 3.478 -0.180 1.00 0.00 O ATOM 0 H ASP A 98 3.431 2.420 -5.171 1.00 0.00 H new ATOM 0 HA ASP A 98 5.048 1.477 -2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.375 3.956 -2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.718 3.399 -2.657 1.00 0.00 H new ATOM 1525 N THR A 99 3.435 -0.367 -2.670 1.00 0.00 N ATOM 1526 CA THR A 99 2.524 -1.499 -2.559 1.00 0.00 C ATOM 1527 C THR A 99 1.998 -1.654 -1.134 1.00 0.00 C ATOM 1528 O THR A 99 2.766 -1.598 -0.170 1.00 0.00 O ATOM 1529 CB THR A 99 3.216 -2.806 -2.991 1.00 0.00 C ATOM 1530 OG1 THR A 99 4.466 -2.947 -2.301 1.00 0.00 O ATOM 1531 CG2 THR A 99 3.458 -2.824 -4.494 1.00 0.00 C ATOM 0 H THR A 99 4.390 -0.565 -2.370 1.00 0.00 H new ATOM 0 HA THR A 99 1.683 -1.300 -3.223 1.00 0.00 H new ATOM 0 HB THR A 99 2.561 -3.639 -2.736 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.375 -2.607 -1.386 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.947 -3.757 -4.773 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.505 -2.744 -5.017 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.095 -1.984 -4.770 1.00 0.00 H new ATOM 1539 N MET A 100 0.692 -1.851 -1.008 1.00 0.00 N ATOM 1540 CA MET A 100 0.062 -2.033 0.293 1.00 0.00 C ATOM 1541 C MET A 100 -1.307 -2.684 0.129 1.00 0.00 C ATOM 1542 O MET A 100 -1.674 -3.102 -0.968 1.00 0.00 O ATOM 1543 CB MET A 100 -0.079 -0.688 1.018 1.00 0.00 C ATOM 1544 CG MET A 100 -0.914 0.336 0.265 1.00 0.00 C ATOM 1545 SD MET A 100 -1.112 1.878 1.179 1.00 0.00 S ATOM 1546 CE MET A 100 0.589 2.420 1.305 1.00 0.00 C ATOM 0 H MET A 100 0.045 -1.889 -1.796 1.00 0.00 H new ATOM 0 HA MET A 100 0.696 -2.686 0.893 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.528 -0.860 1.996 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.914 -0.275 1.192 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.445 0.546 -0.696 1.00 0.00 H new ATOM 0 HG3 MET A 100 -1.897 -0.086 0.055 1.00 0.00 H new ATOM 0 HE1 MET A 100 0.630 3.508 1.246 1.00 0.00 H new ATOM 0 HE2 MET A 100 1.006 2.093 2.258 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.169 1.990 0.488 1.00 0.00 H new ATOM 1556 N GLN A 101 -2.055 -2.777 1.221 1.00 0.00 N ATOM 1557 CA GLN A 101 -3.403 -3.328 1.174 1.00 0.00 C ATOM 1558 C GLN A 101 -4.363 -2.312 0.567 1.00 0.00 C ATOM 1559 O GLN A 101 -4.095 -1.110 0.587 1.00 0.00 O ATOM 1560 CB GLN A 101 -3.876 -3.729 2.573 1.00 0.00 C ATOM 1561 CG GLN A 101 -3.050 -4.838 3.207 1.00 0.00 C ATOM 1562 CD GLN A 101 -3.546 -5.216 4.589 1.00 0.00 C ATOM 1563 OE1 GLN A 101 -4.101 -4.389 5.311 1.00 0.00 O ATOM 1564 NE2 GLN A 101 -3.341 -6.467 4.971 1.00 0.00 N ATOM 0 H GLN A 101 -1.752 -2.479 2.148 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.387 -4.221 0.549 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.848 -2.853 3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.916 -4.051 2.516 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -3.074 -5.717 2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -2.010 -4.519 3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -2.877 -7.123 4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -3.647 -6.775 5.894 1.00 0.00 H new ATOM 1573 N THR A 102 -5.478 -2.802 0.039 1.00 0.00 N ATOM 1574 CA THR A 102 -6.449 -1.962 -0.650 1.00 0.00 C ATOM 1575 C THR A 102 -6.984 -0.848 0.258 1.00 0.00 C ATOM 1576 O THR A 102 -7.122 0.297 -0.170 1.00 0.00 O ATOM 1577 CB THR A 102 -7.617 -2.822 -1.168 1.00 0.00 C ATOM 1578 OG1 THR A 102 -7.102 -4.039 -1.733 1.00 0.00 O ATOM 1579 CG2 THR A 102 -8.423 -2.074 -2.221 1.00 0.00 C ATOM 0 H THR A 102 -5.734 -3.789 0.076 1.00 0.00 H new ATOM 0 HA THR A 102 -5.940 -1.491 -1.491 1.00 0.00 H new ATOM 0 HB THR A 102 -8.275 -3.049 -0.329 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.554 -4.222 -2.583 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.241 -2.705 -2.569 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.829 -1.160 -1.787 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.777 -1.821 -3.062 1.00 0.00 H new ATOM 1587 N GLY A 103 -7.265 -1.193 1.513 1.00 0.00 N ATOM 1588 CA GLY A 103 -7.781 -0.223 2.471 1.00 0.00 C ATOM 1589 C GLY A 103 -6.884 0.998 2.639 1.00 0.00 C ATOM 1590 O GLY A 103 -7.294 2.114 2.313 1.00 0.00 O ATOM 0 H GLY A 103 -7.144 -2.134 1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.770 0.103 2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.905 -0.710 3.439 1.00 0.00 H new ATOM 1594 N PRO A 104 -5.655 0.818 3.163 1.00 0.00 N ATOM 1595 CA PRO A 104 -4.689 1.917 3.326 1.00 0.00 C ATOM 1596 C PRO A 104 -4.431 2.675 2.024 1.00 0.00 C ATOM 1597 O PRO A 104 -4.207 3.889 2.037 1.00 0.00 O ATOM 1598 CB PRO A 104 -3.415 1.208 3.791 1.00 0.00 C ATOM 1599 CG PRO A 104 -3.889 -0.050 4.427 1.00 0.00 C ATOM 1600 CD PRO A 104 -5.120 -0.460 3.669 1.00 0.00 C ATOM 0 HA PRO A 104 -5.054 2.672 4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.750 1.001 2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.856 1.822 4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -3.124 -0.825 4.377 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.115 0.107 5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.881 -1.145 2.856 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.837 -0.968 4.313 1.00 0.00 H new ATOM 1608 N ALA A 105 -4.463 1.958 0.903 1.00 0.00 N ATOM 1609 CA ALA A 105 -4.271 2.572 -0.405 1.00 0.00 C ATOM 1610 C ALA A 105 -5.358 3.605 -0.675 1.00 0.00 C ATOM 1611 O ALA A 105 -5.074 4.726 -1.106 1.00 0.00 O ATOM 1612 CB ALA A 105 -4.261 1.510 -1.494 1.00 0.00 C ATOM 0 H ALA A 105 -4.620 0.951 0.876 1.00 0.00 H new ATOM 0 HA ALA A 105 -3.306 3.080 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.117 1.985 -2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.448 0.807 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.211 0.975 -1.490 1.00 0.00 H new ATOM 1618 N ILE A 106 -6.599 3.221 -0.396 1.00 0.00 N ATOM 1619 CA ILE A 106 -7.735 4.120 -0.540 1.00 0.00 C ATOM 1620 C ILE A 106 -7.552 5.354 0.338 1.00 0.00 C ATOM 1621 O ILE A 106 -7.692 6.485 -0.129 1.00 0.00 O ATOM 1622 CB ILE A 106 -9.061 3.415 -0.167 1.00 0.00 C ATOM 1623 CG1 ILE A 106 -9.322 2.244 -1.118 1.00 0.00 C ATOM 1624 CG2 ILE A 106 -10.226 4.397 -0.196 1.00 0.00 C ATOM 1625 CD1 ILE A 106 -10.585 1.471 -0.808 1.00 0.00 C ATOM 0 H ILE A 106 -6.843 2.287 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.785 4.422 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.971 3.029 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -9.381 2.624 -2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -8.472 1.562 -1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -11.147 3.877 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.043 5.200 0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.323 4.817 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -10.700 0.658 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -10.522 1.060 0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -11.445 2.137 -0.874 1.00 0.00 H new ATOM 1637 N ARG A 107 -7.218 5.125 1.603 1.00 0.00 N ATOM 1638 CA ARG A 107 -7.027 6.210 2.562 1.00 0.00 C ATOM 1639 C ARG A 107 -6.002 7.223 2.055 1.00 0.00 C ATOM 1640 O ARG A 107 -6.281 8.422 1.991 1.00 0.00 O ATOM 1641 CB ARG A 107 -6.582 5.650 3.916 1.00 0.00 C ATOM 1642 CG ARG A 107 -6.207 6.726 4.924 1.00 0.00 C ATOM 1643 CD ARG A 107 -5.763 6.132 6.249 1.00 0.00 C ATOM 1644 NE ARG A 107 -5.231 7.157 7.145 1.00 0.00 N ATOM 1645 CZ ARG A 107 -5.355 7.135 8.472 1.00 0.00 C ATOM 1646 NH1 ARG A 107 -5.956 6.116 9.076 1.00 0.00 N ATOM 1647 NH2 ARG A 107 -4.857 8.128 9.197 1.00 0.00 N ATOM 0 H ARG A 107 -7.073 4.193 1.991 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.982 6.722 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.385 5.040 4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.727 4.991 3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.406 7.342 4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.061 7.382 5.089 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.607 5.633 6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.002 5.372 6.071 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.731 7.942 6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.327 5.343 8.524 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -6.047 6.107 10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.381 8.905 8.739 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.950 8.114 10.213 1.00 0.00 H new ATOM 1661 N THR A 108 -4.832 6.729 1.669 1.00 0.00 N ATOM 1662 CA THR A 108 -3.746 7.592 1.232 1.00 0.00 C ATOM 1663 C THR A 108 -4.136 8.395 -0.012 1.00 0.00 C ATOM 1664 O THR A 108 -3.767 9.565 -0.148 1.00 0.00 O ATOM 1665 CB THR A 108 -2.474 6.770 0.949 1.00 0.00 C ATOM 1666 OG1 THR A 108 -2.262 5.830 2.014 1.00 0.00 O ATOM 1667 CG2 THR A 108 -1.257 7.677 0.829 1.00 0.00 C ATOM 0 H THR A 108 -4.612 5.733 1.650 1.00 0.00 H new ATOM 0 HA THR A 108 -3.541 8.293 2.041 1.00 0.00 H new ATOM 0 HB THR A 108 -2.609 6.241 0.006 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.880 5.077 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 108 -0.372 7.073 0.629 1.00 0.00 H new ATOM 0 HG22 THR A 108 -1.408 8.382 0.011 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.119 8.226 1.760 1.00 0.00 H new ATOM 1675 N TYR A 109 -4.903 7.774 -0.907 1.00 0.00 N ATOM 1676 CA TYR A 109 -5.377 8.457 -2.108 1.00 0.00 C ATOM 1677 C TYR A 109 -6.283 9.627 -1.739 1.00 0.00 C ATOM 1678 O TYR A 109 -6.115 10.733 -2.249 1.00 0.00 O ATOM 1679 CB TYR A 109 -6.119 7.486 -3.035 1.00 0.00 C ATOM 1680 CG TYR A 109 -6.753 8.161 -4.237 1.00 0.00 C ATOM 1681 CD1 TYR A 109 -5.976 8.620 -5.294 1.00 0.00 C ATOM 1682 CD2 TYR A 109 -8.128 8.345 -4.308 1.00 0.00 C ATOM 1683 CE1 TYR A 109 -6.552 9.243 -6.386 1.00 0.00 C ATOM 1684 CE2 TYR A 109 -8.711 8.965 -5.397 1.00 0.00 C ATOM 1685 CZ TYR A 109 -7.919 9.414 -6.432 1.00 0.00 C ATOM 1686 OH TYR A 109 -8.496 10.038 -7.515 1.00 0.00 O ATOM 0 H TYR A 109 -5.208 6.804 -0.823 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.507 8.842 -2.639 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.422 6.724 -3.382 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.894 6.973 -2.465 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -4.905 8.488 -5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -8.752 7.998 -3.498 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -5.934 9.594 -7.199 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -9.782 9.097 -5.437 1.00 0.00 H new ATOM 0 HH TYR A 109 -7.977 9.839 -8.322 1.00 0.00 H new ATOM 1696 N ASN A 110 -7.225 9.379 -0.827 1.00 0.00 N ATOM 1697 CA ASN A 110 -8.172 10.408 -0.392 1.00 0.00 C ATOM 1698 C ASN A 110 -7.445 11.615 0.187 1.00 0.00 C ATOM 1699 O ASN A 110 -7.914 12.748 0.077 1.00 0.00 O ATOM 1700 CB ASN A 110 -9.149 9.850 0.650 1.00 0.00 C ATOM 1701 CG ASN A 110 -10.265 9.020 0.040 1.00 0.00 C ATOM 1702 OD1 ASN A 110 -11.332 9.533 -0.286 1.00 0.00 O ATOM 1703 ND2 ASN A 110 -10.032 7.731 -0.115 1.00 0.00 N ATOM 0 H ASN A 110 -7.353 8.474 -0.375 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.733 10.724 -1.271 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.598 9.238 1.364 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.585 10.678 1.210 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.750 7.128 -0.517 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -9.134 7.338 0.167 1.00 0.00 H new ATOM 1710 N ILE A 111 -6.299 11.366 0.807 1.00 0.00 N ATOM 1711 CA ILE A 111 -5.499 12.438 1.382 1.00 0.00 C ATOM 1712 C ILE A 111 -4.731 13.194 0.295 1.00 0.00 C ATOM 1713 O ILE A 111 -4.848 14.415 0.169 1.00 0.00 O ATOM 1714 CB ILE A 111 -4.496 11.892 2.426 1.00 0.00 C ATOM 1715 CG1 ILE A 111 -5.228 11.114 3.528 1.00 0.00 C ATOM 1716 CG2 ILE A 111 -3.678 13.027 3.028 1.00 0.00 C ATOM 1717 CD1 ILE A 111 -6.240 11.937 4.301 1.00 0.00 C ATOM 0 H ILE A 111 -5.904 10.433 0.924 1.00 0.00 H new ATOM 0 HA ILE A 111 -6.189 13.122 1.876 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.816 11.208 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.737 10.261 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.492 10.715 4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.978 12.623 3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.124 13.535 2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.345 13.737 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.712 11.314 5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.736 12.775 4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.000 12.315 3.617 1.00 0.00 H new ATOM 1729 N MET A 112 -3.971 12.455 -0.506 1.00 0.00 N ATOM 1730 CA MET A 112 -3.058 13.055 -1.481 1.00 0.00 C ATOM 1731 C MET A 112 -3.793 13.772 -2.610 1.00 0.00 C ATOM 1732 O MET A 112 -3.273 14.738 -3.176 1.00 0.00 O ATOM 1733 CB MET A 112 -2.131 11.991 -2.070 1.00 0.00 C ATOM 1734 CG MET A 112 -1.145 11.414 -1.070 1.00 0.00 C ATOM 1735 SD MET A 112 -0.041 12.664 -0.386 1.00 0.00 S ATOM 1736 CE MET A 112 0.986 11.647 0.671 1.00 0.00 C ATOM 0 H MET A 112 -3.967 11.435 -0.501 1.00 0.00 H new ATOM 0 HA MET A 112 -2.473 13.801 -0.943 1.00 0.00 H new ATOM 0 HB2 MET A 112 -2.736 11.181 -2.478 1.00 0.00 H new ATOM 0 HB3 MET A 112 -1.577 12.426 -2.902 1.00 0.00 H new ATOM 0 HG2 MET A 112 -1.694 10.936 -0.259 1.00 0.00 H new ATOM 0 HG3 MET A 112 -0.553 10.638 -1.555 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.726 12.273 1.170 1.00 0.00 H new ATOM 0 HE2 MET A 112 0.364 11.154 1.418 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.495 10.894 0.069 1.00 0.00 H new ATOM 1746 N ILE A 113 -4.995 13.308 -2.936 1.00 0.00 N ATOM 1747 CA ILE A 113 -5.764 13.893 -4.031 1.00 0.00 C ATOM 1748 C ILE A 113 -6.121 15.353 -3.731 1.00 0.00 C ATOM 1749 O ILE A 113 -6.267 16.170 -4.642 1.00 0.00 O ATOM 1750 CB ILE A 113 -7.050 13.078 -4.327 1.00 0.00 C ATOM 1751 CG1 ILE A 113 -7.712 13.558 -5.623 1.00 0.00 C ATOM 1752 CG2 ILE A 113 -8.034 13.162 -3.169 1.00 0.00 C ATOM 1753 CD1 ILE A 113 -6.848 13.374 -6.852 1.00 0.00 C ATOM 0 H ILE A 113 -5.457 12.532 -2.461 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.134 13.862 -4.920 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.759 12.035 -4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -8.648 13.018 -5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -7.965 14.613 -5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -8.925 12.581 -3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.570 12.763 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -8.313 14.203 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -7.383 13.736 -7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -5.922 13.937 -6.733 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.616 12.317 -6.979 1.00 0.00 H new ATOM 1765 N GLY A 114 -6.221 15.682 -2.445 1.00 0.00 N ATOM 1766 CA GLY A 114 -6.554 17.037 -2.048 1.00 0.00 C ATOM 1767 C GLY A 114 -5.412 18.001 -2.302 1.00 0.00 C ATOM 1768 O GLY A 114 -5.632 19.182 -2.568 1.00 0.00 O ATOM 0 H GLY A 114 -6.077 15.033 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.436 17.368 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.812 17.051 -0.989 1.00 0.00 H new ATOM 1772 N GLU A 115 -4.191 17.486 -2.243 1.00 0.00 N ATOM 1773 CA GLU A 115 -2.995 18.297 -2.442 1.00 0.00 C ATOM 1774 C GLU A 115 -2.565 18.296 -3.904 1.00 0.00 C ATOM 1775 O GLU A 115 -1.446 18.699 -4.231 1.00 0.00 O ATOM 1776 CB GLU A 115 -1.859 17.775 -1.561 1.00 0.00 C ATOM 1777 CG GLU A 115 -2.054 18.067 -0.083 1.00 0.00 C ATOM 1778 CD GLU A 115 -1.917 19.543 0.233 1.00 0.00 C ATOM 1779 OE1 GLU A 115 -2.873 20.306 -0.014 1.00 0.00 O ATOM 1780 OE2 GLU A 115 -0.842 19.949 0.718 1.00 0.00 O ATOM 0 H GLU A 115 -4.001 16.501 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.229 19.323 -2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.767 16.698 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -0.920 18.221 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.040 17.721 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.322 17.504 0.496 1.00 0.00 H new ATOM 1787 N ARG A 116 -3.458 17.828 -4.776 1.00 0.00 N ATOM 1788 CA ARG A 116 -3.202 17.785 -6.216 1.00 0.00 C ATOM 1789 C ARG A 116 -1.996 16.914 -6.544 1.00 0.00 C ATOM 1790 O ARG A 116 -1.364 17.083 -7.588 1.00 0.00 O ATOM 1791 CB ARG A 116 -2.994 19.193 -6.779 1.00 0.00 C ATOM 1792 CG ARG A 116 -4.214 19.759 -7.478 1.00 0.00 C ATOM 1793 CD ARG A 116 -3.899 21.101 -8.110 1.00 0.00 C ATOM 1794 NE ARG A 116 -4.954 21.551 -9.016 1.00 0.00 N ATOM 1795 CZ ARG A 116 -4.894 22.680 -9.719 1.00 0.00 C ATOM 1796 NH1 ARG A 116 -3.828 23.464 -9.634 1.00 0.00 N ATOM 1797 NH2 ARG A 116 -5.892 23.016 -10.524 1.00 0.00 N ATOM 0 H ARG A 116 -4.374 17.470 -4.506 1.00 0.00 H new ATOM 0 HA ARG A 116 -4.082 17.344 -6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -2.710 19.861 -5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -2.161 19.174 -7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.556 19.063 -8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -5.029 19.871 -6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -3.756 21.844 -7.326 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -2.959 21.030 -8.658 1.00 0.00 H new ATOM 0 HE ARG A 116 -5.784 20.966 -9.115 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -3.050 23.203 -9.028 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -3.786 24.328 -10.174 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.708 22.409 -10.606 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -5.844 23.881 -11.062 1.00 0.00 H new ATOM 1811 N ARG A 117 -1.686 15.979 -5.659 1.00 0.00 N ATOM 1812 CA ARG A 117 -0.588 15.062 -5.896 1.00 0.00 C ATOM 1813 C ARG A 117 -0.984 14.077 -6.984 1.00 0.00 C ATOM 1814 O ARG A 117 -2.121 13.600 -7.010 1.00 0.00 O ATOM 1815 CB ARG A 117 -0.212 14.308 -4.617 1.00 0.00 C ATOM 1816 CG ARG A 117 0.232 15.199 -3.462 1.00 0.00 C ATOM 1817 CD ARG A 117 1.448 16.044 -3.818 1.00 0.00 C ATOM 1818 NE ARG A 117 1.081 17.342 -4.389 1.00 0.00 N ATOM 1819 CZ ARG A 117 1.956 18.205 -4.904 1.00 0.00 C ATOM 1820 NH1 ARG A 117 3.240 17.877 -5.003 1.00 0.00 N ATOM 1821 NH2 ARG A 117 1.541 19.389 -5.331 1.00 0.00 N ATOM 0 H ARG A 117 -2.177 15.838 -4.776 1.00 0.00 H new ATOM 0 HA ARG A 117 0.283 15.635 -6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.069 13.717 -4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 117 0.590 13.607 -4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -0.591 15.853 -3.174 1.00 0.00 H new ATOM 0 HG3 ARG A 117 0.464 14.579 -2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 117 2.051 16.201 -2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 117 2.069 15.500 -4.530 1.00 0.00 H new ATOM 0 HE ARG A 117 0.095 17.601 -4.393 1.00 0.00 H new ATOM 0 HH11 ARG A 117 3.559 16.962 -4.684 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.907 18.540 -5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.554 19.638 -5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 117 2.209 20.052 -5.726 1.00 0.00 H new ATOM 1835 N ARG A 118 -0.061 13.784 -7.886 1.00 0.00 N ATOM 1836 CA ARG A 118 -0.337 12.880 -8.994 1.00 0.00 C ATOM 1837 C ARG A 118 -0.293 11.435 -8.517 1.00 0.00 C ATOM 1838 O ARG A 118 0.603 10.668 -8.878 1.00 0.00 O ATOM 1839 CB ARG A 118 0.673 13.095 -10.116 1.00 0.00 C ATOM 1840 CG ARG A 118 0.829 14.548 -10.517 1.00 0.00 C ATOM 1841 CD ARG A 118 2.007 14.734 -11.452 1.00 0.00 C ATOM 1842 NE ARG A 118 2.424 16.132 -11.525 1.00 0.00 N ATOM 1843 CZ ARG A 118 3.655 16.521 -11.857 1.00 0.00 C ATOM 1844 NH1 ARG A 118 4.578 15.618 -12.171 1.00 0.00 N ATOM 1845 NH2 ARG A 118 3.961 17.812 -11.875 1.00 0.00 N ATOM 0 H ARG A 118 0.887 14.159 -7.874 1.00 0.00 H new ATOM 0 HA ARG A 118 -1.335 13.092 -9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.642 12.707 -9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 118 0.365 12.517 -10.987 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.083 14.894 -11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.968 15.161 -9.626 1.00 0.00 H new ATOM 0 HD2 ARG A 118 2.842 14.123 -11.111 1.00 0.00 H new ATOM 0 HD3 ARG A 118 1.740 14.382 -12.448 1.00 0.00 H new ATOM 0 HE ARG A 118 1.734 16.852 -11.310 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.345 14.625 -12.158 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.519 15.918 -12.425 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.254 18.507 -11.635 1.00 0.00 H new ATOM 0 HH22 ARG A 118 4.903 18.109 -12.129 1.00 0.00 H new ATOM 1859 N VAL A 119 -1.253 11.083 -7.681 1.00 0.00 N ATOM 1860 CA VAL A 119 -1.323 9.757 -7.106 1.00 0.00 C ATOM 1861 C VAL A 119 -2.383 8.916 -7.808 1.00 0.00 C ATOM 1862 O VAL A 119 -3.552 9.290 -7.878 1.00 0.00 O ATOM 1863 CB VAL A 119 -1.603 9.816 -5.583 1.00 0.00 C ATOM 1864 CG1 VAL A 119 -2.821 10.676 -5.274 1.00 0.00 C ATOM 1865 CG2 VAL A 119 -1.778 8.417 -5.011 1.00 0.00 C ATOM 0 H VAL A 119 -2.003 11.708 -7.384 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.352 9.284 -7.253 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.738 10.279 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.989 10.696 -4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.650 11.691 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.697 10.258 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.974 8.483 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.617 7.925 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.869 7.839 -5.179 1.00 0.00 H new ATOM 1875 N ALA A 120 -1.955 7.793 -8.354 1.00 0.00 N ATOM 1876 CA ALA A 120 -2.862 6.859 -8.986 1.00 0.00 C ATOM 1877 C ALA A 120 -3.105 5.677 -8.064 1.00 0.00 C ATOM 1878 O ALA A 120 -2.163 4.997 -7.656 1.00 0.00 O ATOM 1879 CB ALA A 120 -2.304 6.393 -10.320 1.00 0.00 C ATOM 0 H ALA A 120 -0.976 7.506 -8.371 1.00 0.00 H new ATOM 0 HA ALA A 120 -3.812 7.360 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.000 5.691 -10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.167 7.252 -10.977 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.344 5.901 -10.161 1.00 0.00 H new ATOM 1885 N ALA A 121 -4.358 5.453 -7.716 1.00 0.00 N ATOM 1886 CA ALA A 121 -4.710 4.364 -6.826 1.00 0.00 C ATOM 1887 C ALA A 121 -5.199 3.157 -7.612 1.00 0.00 C ATOM 1888 O ALA A 121 -6.317 3.146 -8.131 1.00 0.00 O ATOM 1889 CB ALA A 121 -5.763 4.811 -5.824 1.00 0.00 C ATOM 0 H ALA A 121 -5.149 6.011 -8.036 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.814 4.072 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.014 3.980 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.373 5.639 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.657 5.135 -6.356 1.00 0.00 H new ATOM 1895 N ALA A 122 -4.345 2.152 -7.716 1.00 0.00 N ATOM 1896 CA ALA A 122 -4.716 0.899 -8.348 1.00 0.00 C ATOM 1897 C ALA A 122 -5.308 -0.030 -7.301 1.00 0.00 C ATOM 1898 O ALA A 122 -4.581 -0.662 -6.535 1.00 0.00 O ATOM 1899 CB ALA A 122 -3.513 0.257 -9.025 1.00 0.00 C ATOM 0 H ALA A 122 -3.386 2.181 -7.369 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.461 1.092 -9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.815 -0.681 -9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.121 0.931 -9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.740 0.060 -8.282 1.00 0.00 H new ATOM 1905 N LEU A 123 -6.625 -0.080 -7.243 1.00 0.00 N ATOM 1906 CA LEU A 123 -7.305 -0.809 -6.187 1.00 0.00 C ATOM 1907 C LEU A 123 -7.807 -2.155 -6.684 1.00 0.00 C ATOM 1908 O LEU A 123 -8.718 -2.221 -7.507 1.00 0.00 O ATOM 1909 CB LEU A 123 -8.472 0.017 -5.644 1.00 0.00 C ATOM 1910 CG LEU A 123 -8.090 1.386 -5.076 1.00 0.00 C ATOM 1911 CD1 LEU A 123 -9.326 2.126 -4.597 1.00 0.00 C ATOM 1912 CD2 LEU A 123 -7.086 1.232 -3.942 1.00 0.00 C ATOM 0 H LEU A 123 -7.246 0.374 -7.913 1.00 0.00 H new ATOM 0 HA LEU A 123 -6.588 -0.989 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -9.197 0.163 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.971 -0.557 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.625 1.971 -5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -9.036 3.097 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -10.012 2.268 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -9.819 1.545 -3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.826 2.215 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.525 0.629 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -6.187 0.741 -4.316 1.00 0.00 H new ATOM 1924 N ILE A 124 -7.191 -3.220 -6.197 1.00 0.00 N ATOM 1925 CA ILE A 124 -7.642 -4.567 -6.501 1.00 0.00 C ATOM 1926 C ILE A 124 -8.598 -5.041 -5.410 1.00 0.00 C ATOM 1927 O ILE A 124 -8.345 -4.842 -4.217 1.00 0.00 O ATOM 1928 CB ILE A 124 -6.454 -5.550 -6.628 1.00 0.00 C ATOM 1929 CG1 ILE A 124 -5.472 -5.056 -7.697 1.00 0.00 C ATOM 1930 CG2 ILE A 124 -6.947 -6.953 -6.961 1.00 0.00 C ATOM 1931 CD1 ILE A 124 -4.241 -5.928 -7.848 1.00 0.00 C ATOM 0 H ILE A 124 -6.374 -3.177 -5.587 1.00 0.00 H new ATOM 0 HA ILE A 124 -8.157 -4.546 -7.461 1.00 0.00 H new ATOM 0 HB ILE A 124 -5.936 -5.592 -5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.989 -5.004 -8.655 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -5.159 -4.042 -7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -6.095 -7.628 -7.046 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -7.610 -7.303 -6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -7.489 -6.933 -7.906 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -3.595 -5.514 -8.622 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.700 -5.960 -6.902 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.542 -6.937 -8.128 1.00 0.00 H new ATOM 1943 N ALA A 125 -9.705 -5.636 -5.822 1.00 0.00 N ATOM 1944 CA ALA A 125 -10.722 -6.094 -4.891 1.00 0.00 C ATOM 1945 C ALA A 125 -10.280 -7.371 -4.195 1.00 0.00 C ATOM 1946 O ALA A 125 -9.577 -8.196 -4.775 1.00 0.00 O ATOM 1947 CB ALA A 125 -12.044 -6.312 -5.614 1.00 0.00 C ATOM 0 H ALA A 125 -9.923 -5.814 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 125 -10.863 -5.324 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -12.795 -6.655 -4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -12.371 -5.375 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -11.913 -7.063 -6.393 1.00 0.00 H new ATOM 1953 N VAL A 126 -10.690 -7.523 -2.947 1.00 0.00 N ATOM 1954 CA VAL A 126 -10.342 -8.696 -2.170 1.00 0.00 C ATOM 1955 C VAL A 126 -11.145 -9.913 -2.635 1.00 0.00 C ATOM 1956 O VAL A 126 -12.373 -9.912 -2.593 1.00 0.00 O ATOM 1957 CB VAL A 126 -10.558 -8.457 -0.654 1.00 0.00 C ATOM 1958 CG1 VAL A 126 -9.577 -7.417 -0.136 1.00 0.00 C ATOM 1959 CG2 VAL A 126 -11.988 -8.017 -0.357 1.00 0.00 C ATOM 0 H VAL A 126 -11.267 -6.844 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 126 -9.282 -8.893 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 126 -10.381 -9.403 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -9.742 -7.261 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -8.557 -7.766 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -9.728 -6.478 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -12.105 -7.858 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -12.200 -7.088 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -12.682 -8.790 -0.687 1.00 0.00 H new