USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 595 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 8 LYS NZ :NH3+ 151:sc= -0.364 (180deg=-1.69!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.62! C(o=-3.6!,f=-6.9!) USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= 1.27 (180deg=0.937) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.112) USER MOD Single : A 37 THR OG1 : rot 120:sc= -3.22! USER MOD Single : A 40 SER OG : rot -72:sc= 1.12 USER MOD Single : A 42 THR OG1 : rot 140:sc= 0.12 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -8.16! C(o=-8.2!,f=-13!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 145:sc= -8.39! (180deg=-10.6!) USER MOD Single : A 55 THR OG1 : rot -24:sc= -2.24! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.23) USER MOD Single : A 67 THR OG1 : rot 77:sc= 0.428 USER MOD Single : A 73 ASN : amide:sc= -2.49! C(o=-2.5!,f=-2.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.152 -10.209 -0.035 1.00 16.66 N ATOM 86 CA ASP A 7 -1.658 -11.589 -0.276 1.00 16.66 C ATOM 87 C ASP A 7 -2.669 -11.955 0.810 1.00 16.66 C ATOM 88 O ASP A 7 -3.777 -12.368 0.530 1.00 16.66 O ATOM 89 CB ASP A 7 -0.492 -12.578 -0.237 1.00 16.66 C ATOM 90 CG ASP A 7 0.259 -12.534 -1.569 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.294 -12.009 -2.521 1.00 50.00 O ATOM 92 OD2 ASP A 7 1.374 -13.027 -1.615 1.00 50.00 O ATOM 0 HA ASP A 7 -2.138 -11.633 -1.254 1.00 16.66 H new ATOM 0 HB2 ASP A 7 0.183 -12.329 0.582 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -0.862 -13.586 -0.049 1.00 16.66 H new ATOM 97 N LYS A 8 -2.296 -11.802 2.047 1.00 16.66 N ATOM 98 CA LYS A 8 -3.230 -12.136 3.159 1.00 16.66 C ATOM 99 C LYS A 8 -4.584 -11.478 2.896 1.00 16.66 C ATOM 100 O LYS A 8 -5.623 -12.028 3.199 1.00 16.66 O ATOM 101 CB LYS A 8 -2.661 -11.616 4.479 1.00 16.66 C ATOM 102 CG LYS A 8 -1.704 -12.656 5.064 1.00 16.66 C ATOM 103 CD LYS A 8 -1.555 -12.421 6.569 1.00 16.66 C ATOM 104 CE LYS A 8 -0.400 -13.270 7.105 1.00 50.00 C ATOM 105 NZ LYS A 8 0.795 -13.089 6.233 1.00 50.00 N ATOM 0 H LYS A 8 -1.381 -11.459 2.339 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.353 -13.217 3.219 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.137 -10.674 4.316 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.469 -11.413 5.182 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.083 -13.661 4.878 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.732 -12.587 4.576 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.367 -11.366 6.766 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.481 -12.681 7.082 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -0.164 -12.978 8.128 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.689 -14.321 7.131 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.659 -13.224 6.796 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.771 -13.787 5.462 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.790 -12.130 5.832 1.00 50.00 H new ATOM 119 N ALA A 9 -4.577 -10.305 2.330 1.00 16.66 N ATOM 120 CA ALA A 9 -5.863 -9.613 2.045 1.00 16.66 C ATOM 121 C ALA A 9 -6.754 -10.555 1.244 1.00 16.66 C ATOM 122 O ALA A 9 -7.936 -10.682 1.498 1.00 16.66 O ATOM 123 CB ALA A 9 -5.597 -8.342 1.234 1.00 16.66 C ATOM 0 H ALA A 9 -3.738 -9.796 2.053 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.353 -9.339 2.979 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.541 -7.838 1.027 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -4.948 -7.677 1.803 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.113 -8.605 0.294 1.00 16.66 H new ATOM 129 N GLU A 10 -6.189 -11.224 0.282 1.00 16.66 N ATOM 130 CA GLU A 10 -6.994 -12.173 -0.537 1.00 16.66 C ATOM 131 C GLU A 10 -7.401 -13.361 0.334 1.00 16.66 C ATOM 132 O GLU A 10 -8.507 -13.855 0.257 1.00 16.66 O ATOM 133 CB GLU A 10 -6.159 -12.667 -1.719 1.00 16.66 C ATOM 134 CG GLU A 10 -5.561 -11.469 -2.457 1.00 16.66 C ATOM 135 CD GLU A 10 -4.761 -11.961 -3.666 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.383 -13.121 -3.668 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.543 -11.170 -4.569 1.00 16.66 O ATOM 0 H GLU A 10 -5.204 -11.156 0.026 1.00 16.66 H new ATOM 0 HA GLU A 10 -7.885 -11.670 -0.914 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.364 -13.324 -1.367 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -6.780 -13.252 -2.397 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.354 -10.796 -2.782 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -4.915 -10.901 -1.787 1.00 16.66 H new ATOM 144 N ARG A 11 -6.510 -13.816 1.168 1.00 16.66 N ATOM 145 CA ARG A 11 -6.829 -14.968 2.056 1.00 16.66 C ATOM 146 C ARG A 11 -7.890 -14.547 3.071 1.00 16.66 C ATOM 147 O ARG A 11 -8.812 -15.281 3.370 1.00 16.66 O ATOM 148 CB ARG A 11 -5.565 -15.395 2.799 1.00 16.66 C ATOM 149 CG ARG A 11 -4.539 -15.928 1.797 1.00 16.66 C ATOM 150 CD ARG A 11 -3.611 -16.923 2.491 1.00 50.00 C ATOM 151 NE ARG A 11 -2.304 -16.953 1.780 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.036 -17.920 0.945 1.00 50.00 C ATOM 153 NH1 ARG A 11 -2.096 -17.705 -0.341 1.00 50.00 N ATOM 154 NH2 ARG A 11 -1.707 -19.100 1.397 1.00 50.00 N ATOM 0 H ARG A 11 -5.569 -13.437 1.274 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.204 -15.798 1.458 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.149 -14.549 3.346 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.805 -16.164 3.534 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.048 -16.411 0.963 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -3.959 -15.104 1.382 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.465 -16.637 3.533 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -4.060 -17.916 2.493 1.00 50.00 H new ATOM 0 HE ARG A 11 -1.617 -16.217 1.945 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -2.352 -16.782 -0.692 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -1.887 -18.460 -0.995 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -1.659 -19.266 2.402 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -1.498 -19.856 0.745 1.00 50.00 H new ATOM 168 N GLU A 12 -7.763 -13.365 3.597 1.00 16.66 N ATOM 169 CA GLU A 12 -8.754 -12.872 4.590 1.00 16.66 C ATOM 170 C GLU A 12 -10.116 -12.719 3.912 1.00 16.66 C ATOM 171 O GLU A 12 -11.142 -13.033 4.480 1.00 16.66 O ATOM 172 CB GLU A 12 -8.295 -11.518 5.129 1.00 16.66 C ATOM 173 CG GLU A 12 -7.262 -11.731 6.236 1.00 16.66 C ATOM 174 CD GLU A 12 -7.001 -10.405 6.954 1.00 16.66 C ATOM 175 OE1 GLU A 12 -7.639 -9.428 6.599 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.168 -10.390 7.844 1.00 50.00 O ATOM 0 H GLU A 12 -7.009 -12.713 3.380 1.00 16.66 H new ATOM 0 HA GLU A 12 -8.837 -13.582 5.413 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.864 -10.922 4.325 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.148 -10.961 5.516 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.622 -12.476 6.945 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.334 -12.116 5.813 1.00 16.66 H new ATOM 183 N ARG A 13 -10.129 -12.239 2.700 1.00 16.66 N ATOM 184 CA ARG A 13 -11.423 -12.068 1.984 1.00 16.66 C ATOM 185 C ARG A 13 -12.019 -13.443 1.689 1.00 16.66 C ATOM 186 O ARG A 13 -13.209 -13.657 1.815 1.00 16.66 O ATOM 187 CB ARG A 13 -11.189 -11.320 0.669 1.00 16.66 C ATOM 188 CG ARG A 13 -10.739 -9.890 0.969 1.00 16.66 C ATOM 189 CD ARG A 13 -10.335 -9.200 -0.336 1.00 16.66 C ATOM 190 NE ARG A 13 -11.491 -8.425 -0.867 1.00 50.00 N ATOM 191 CZ ARG A 13 -11.768 -8.456 -2.142 1.00 50.00 C ATOM 192 NH1 ARG A 13 -11.957 -9.600 -2.742 1.00 50.00 N ATOM 193 NH2 ARG A 13 -11.854 -7.343 -2.819 1.00 50.00 N ATOM 0 H ARG A 13 -9.301 -11.958 2.175 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.111 -11.495 2.606 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.433 -11.834 0.076 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.104 -11.308 0.077 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.545 -9.337 1.451 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -9.899 -9.899 1.663 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.488 -8.536 -0.162 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -10.014 -9.942 -1.068 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.066 -7.870 -0.234 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -11.888 -10.470 -2.214 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -12.173 -9.624 -3.738 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -11.705 -6.449 -2.351 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -12.070 -7.368 -3.815 1.00 50.00 H new ATOM 207 N ILE A 14 -11.199 -14.379 1.307 1.00 16.66 N ATOM 208 CA ILE A 14 -11.711 -15.744 1.016 1.00 16.66 C ATOM 209 C ILE A 14 -12.126 -16.410 2.327 1.00 16.66 C ATOM 210 O ILE A 14 -13.184 -17.001 2.428 1.00 16.66 O ATOM 211 CB ILE A 14 -10.611 -16.568 0.347 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.109 -15.831 -0.896 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.172 -17.932 -0.058 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.682 -16.280 -1.213 1.00 50.00 C ATOM 0 H ILE A 14 -10.194 -14.257 1.184 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.570 -15.682 0.348 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.785 -16.709 1.044 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.763 -16.037 -1.743 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.134 -14.754 -0.728 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.388 -18.521 -0.535 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.530 -18.456 0.828 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -11.998 -17.793 -0.756 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.324 -15.755 -2.099 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.032 -16.051 -0.368 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.671 -17.354 -1.399 1.00 50.00 H new ATOM 226 N PHE A 15 -11.305 -16.312 3.337 1.00 16.66 N ATOM 227 CA PHE A 15 -11.663 -16.936 4.639 1.00 16.66 C ATOM 228 C PHE A 15 -12.898 -16.235 5.203 1.00 16.66 C ATOM 229 O PHE A 15 -13.750 -16.850 5.812 1.00 16.66 O ATOM 230 CB PHE A 15 -10.501 -16.799 5.624 1.00 16.66 C ATOM 231 CG PHE A 15 -10.893 -17.458 6.927 1.00 16.66 C ATOM 232 CD1 PHE A 15 -10.636 -18.820 7.125 1.00 16.66 C ATOM 233 CD2 PHE A 15 -11.524 -16.712 7.931 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.010 -19.437 8.325 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.896 -17.329 9.133 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.640 -18.693 9.329 1.00 16.66 C ATOM 0 H PHE A 15 -10.407 -15.829 3.316 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.873 -17.995 4.488 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.604 -17.267 5.218 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.266 -15.747 5.788 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -10.149 -19.395 6.352 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -11.724 -15.662 7.779 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -10.812 -20.488 8.476 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -12.380 -16.754 9.908 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.929 -19.170 10.254 1.00 16.66 H new ATOM 246 N LYS A 16 -13.004 -14.952 4.999 1.00 16.66 N ATOM 247 CA LYS A 16 -14.188 -14.213 5.516 1.00 16.66 C ATOM 248 C LYS A 16 -15.438 -14.702 4.784 1.00 16.66 C ATOM 249 O LYS A 16 -16.525 -14.710 5.326 1.00 16.66 O ATOM 250 CB LYS A 16 -14.005 -12.713 5.276 1.00 50.00 C ATOM 251 CG LYS A 16 -13.128 -12.126 6.383 1.00 50.00 C ATOM 252 CD LYS A 16 -13.115 -10.600 6.268 1.00 50.00 C ATOM 253 CE LYS A 16 -11.908 -10.041 7.024 1.00 50.00 C ATOM 254 NZ LYS A 16 -11.513 -8.731 6.432 1.00 50.00 N ATOM 0 H LYS A 16 -12.322 -14.384 4.497 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.294 -14.392 6.586 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.545 -12.543 4.303 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -14.974 -12.215 5.262 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.508 -12.425 7.360 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.113 -12.516 6.303 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -13.070 -10.304 5.220 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.037 -10.186 6.677 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -12.152 -9.916 8.079 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.075 -10.742 6.970 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -10.693 -8.351 6.946 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -11.264 -8.863 5.431 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -12.307 -8.063 6.505 1.00 50.00 H new ATOM 268 N ARG A 17 -15.288 -15.118 3.556 1.00 16.66 N ATOM 269 CA ARG A 17 -16.464 -15.616 2.791 1.00 16.66 C ATOM 270 C ARG A 17 -16.908 -16.953 3.381 1.00 16.66 C ATOM 271 O ARG A 17 -18.083 -17.257 3.446 1.00 16.66 O ATOM 272 CB ARG A 17 -16.075 -15.810 1.325 1.00 16.66 C ATOM 273 CG ARG A 17 -16.005 -14.447 0.634 1.00 16.66 C ATOM 274 CD ARG A 17 -16.085 -14.640 -0.881 1.00 50.00 C ATOM 275 NE ARG A 17 -15.543 -13.431 -1.562 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.570 -13.548 -2.423 1.00 50.00 C ATOM 277 NH1 ARG A 17 -13.483 -14.193 -2.096 1.00 50.00 N ATOM 278 NH2 ARG A 17 -14.682 -13.019 -3.610 1.00 50.00 N ATOM 0 H ARG A 17 -14.402 -15.134 3.051 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.278 -14.894 2.854 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.111 -16.315 1.257 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -16.805 -16.447 0.825 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -16.823 -13.812 0.974 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.077 -13.940 0.898 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.518 -15.523 -1.177 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.119 -14.809 -1.183 1.00 50.00 H new ATOM 0 HE ARG A 17 -15.933 -12.511 -1.355 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -13.395 -14.605 -1.167 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -12.722 -14.284 -2.769 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -15.531 -12.514 -3.865 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -13.921 -13.111 -4.283 1.00 50.00 H new ATOM 292 N PHE A 18 -15.974 -17.752 3.815 1.00 16.66 N ATOM 293 CA PHE A 18 -16.335 -19.069 4.407 1.00 16.66 C ATOM 294 C PHE A 18 -17.006 -18.852 5.761 1.00 16.66 C ATOM 295 O PHE A 18 -18.078 -19.362 6.023 1.00 16.66 O ATOM 296 CB PHE A 18 -15.071 -19.911 4.590 1.00 16.66 C ATOM 297 CG PHE A 18 -14.646 -20.479 3.257 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.349 -21.552 2.697 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.550 -19.930 2.580 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.955 -22.078 1.461 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.157 -20.455 1.343 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.859 -21.530 0.783 1.00 16.66 C ATOM 0 H PHE A 18 -14.975 -17.549 3.785 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.023 -19.590 3.741 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.271 -19.299 5.008 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.258 -20.718 5.298 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.195 -21.974 3.218 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.008 -19.102 3.012 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.497 -22.907 1.030 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.312 -20.031 0.820 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.555 -21.936 -0.171 1.00 16.66 H new ATOM 312 N ASP A 19 -16.391 -18.092 6.623 1.00 16.66 N ATOM 313 CA ASP A 19 -17.005 -17.840 7.956 1.00 16.66 C ATOM 314 C ASP A 19 -18.408 -17.257 7.750 1.00 16.66 C ATOM 315 O ASP A 19 -18.566 -16.104 7.403 1.00 16.66 O ATOM 316 CB ASP A 19 -16.138 -16.855 8.745 1.00 16.66 C ATOM 317 CG ASP A 19 -16.419 -17.025 10.233 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.215 -17.883 10.561 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.828 -16.303 11.019 1.00 16.66 O ATOM 0 H ASP A 19 -15.493 -17.636 6.463 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.074 -18.772 8.517 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.083 -17.034 8.539 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.354 -15.832 8.436 1.00 16.66 H new ATOM 324 N ALA A 20 -19.426 -18.055 7.935 1.00 16.66 N ATOM 325 CA ALA A 20 -20.820 -17.567 7.723 1.00 16.66 C ATOM 326 C ALA A 20 -21.199 -16.501 8.756 1.00 16.66 C ATOM 327 O ALA A 20 -21.663 -15.433 8.406 1.00 16.66 O ATOM 328 CB ALA A 20 -21.788 -18.746 7.841 1.00 50.00 C ATOM 0 H ALA A 20 -19.351 -19.030 8.226 1.00 16.66 H new ATOM 0 HA ALA A 20 -20.880 -17.121 6.730 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.809 -18.396 7.687 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.544 -19.494 7.087 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.702 -19.189 8.833 1.00 50.00 H new ATOM 334 N ASN A 21 -21.024 -16.770 10.023 1.00 16.66 N ATOM 335 CA ASN A 21 -21.401 -15.749 11.043 1.00 16.66 C ATOM 336 C ASN A 21 -20.226 -14.800 11.282 1.00 16.66 C ATOM 337 O ASN A 21 -20.400 -13.674 11.705 1.00 16.66 O ATOM 338 CB ASN A 21 -21.816 -16.436 12.351 1.00 16.66 C ATOM 339 CG ASN A 21 -20.627 -17.156 12.991 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.721 -17.584 12.304 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.620 -17.301 14.287 1.00 16.66 N ATOM 0 H ASN A 21 -20.641 -17.641 10.392 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.249 -15.171 10.676 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.214 -15.696 13.045 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.615 -17.150 12.154 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.844 -17.781 14.742 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.391 -16.934 14.845 1.00 16.66 H new ATOM 348 N GLY A 22 -19.033 -15.238 10.999 1.00 16.66 N ATOM 349 CA GLY A 22 -17.851 -14.352 11.192 1.00 16.66 C ATOM 350 C GLY A 22 -17.384 -14.409 12.647 1.00 16.66 C ATOM 351 O GLY A 22 -17.028 -13.406 13.232 1.00 16.66 O ATOM 0 H GLY A 22 -18.824 -16.171 10.642 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.042 -14.662 10.530 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.107 -13.327 10.924 1.00 16.66 H new ATOM 355 N ASP A 23 -17.366 -15.573 13.233 1.00 16.66 N ATOM 356 CA ASP A 23 -16.899 -15.677 14.644 1.00 16.66 C ATOM 357 C ASP A 23 -15.420 -16.077 14.655 1.00 16.66 C ATOM 358 O ASP A 23 -14.833 -16.301 15.695 1.00 16.66 O ATOM 359 CB ASP A 23 -17.736 -16.709 15.410 1.00 16.66 C ATOM 360 CG ASP A 23 -17.584 -18.095 14.781 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.178 -18.166 13.636 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.887 -19.064 15.458 1.00 16.66 O ATOM 0 H ASP A 23 -17.652 -16.451 12.800 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.018 -14.712 15.136 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.421 -16.740 16.453 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.785 -16.413 15.403 1.00 16.66 H new ATOM 367 N GLY A 24 -14.808 -16.148 13.500 1.00 16.66 N ATOM 368 CA GLY A 24 -13.363 -16.507 13.437 1.00 16.66 C ATOM 369 C GLY A 24 -13.192 -18.008 13.189 1.00 16.66 C ATOM 370 O GLY A 24 -12.099 -18.480 12.944 1.00 16.66 O ATOM 0 H GLY A 24 -15.250 -15.972 12.598 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -12.877 -15.943 12.641 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -12.872 -16.229 14.370 1.00 16.66 H new ATOM 374 N LYS A 25 -14.249 -18.770 13.262 1.00 16.66 N ATOM 375 CA LYS A 25 -14.116 -20.238 13.042 1.00 16.66 C ATOM 376 C LYS A 25 -15.150 -20.714 12.018 1.00 16.66 C ATOM 377 O LYS A 25 -16.284 -20.261 11.997 1.00 16.66 O ATOM 378 CB LYS A 25 -14.328 -20.975 14.369 1.00 50.00 C ATOM 379 CG LYS A 25 -15.793 -20.867 14.788 1.00 50.00 C ATOM 380 CD LYS A 25 -16.063 -21.840 15.937 1.00 50.00 C ATOM 381 CE LYS A 25 -17.573 -21.988 16.135 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.036 -21.014 17.163 1.00 50.00 N ATOM 0 H LYS A 25 -15.194 -18.442 13.463 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.117 -20.452 12.661 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.046 -22.023 14.264 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.687 -20.548 15.140 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.020 -19.847 15.099 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.443 -21.095 13.943 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.617 -22.810 15.719 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.599 -21.475 16.853 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -18.093 -21.814 15.193 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.812 -23.004 16.448 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -18.953 -21.322 17.545 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -17.339 -20.965 17.933 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -18.139 -20.074 16.729 1.00 50.00 H new ATOM 396 N ILE A 26 -14.762 -21.635 11.176 1.00 16.66 N ATOM 397 CA ILE A 26 -15.704 -22.164 10.150 1.00 16.66 C ATOM 398 C ILE A 26 -16.022 -23.627 10.457 1.00 16.66 C ATOM 399 O ILE A 26 -15.143 -24.421 10.728 1.00 16.66 O ATOM 400 CB ILE A 26 -15.058 -22.071 8.769 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.362 -20.718 8.620 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.134 -22.213 7.692 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.747 -20.619 7.225 1.00 16.66 C ATOM 0 H ILE A 26 -13.828 -22.045 11.156 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.622 -21.577 10.166 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.325 -22.870 8.657 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -15.077 -19.909 8.773 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.588 -20.608 9.380 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.673 -22.147 6.706 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.629 -23.179 7.797 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.868 -21.415 7.804 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.249 -19.656 7.114 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.020 -21.420 7.090 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.532 -20.711 6.474 1.00 16.66 H new ATOM 415 N SER A 27 -17.271 -23.990 10.410 1.00 16.66 N ATOM 416 CA SER A 27 -17.654 -25.400 10.692 1.00 16.66 C ATOM 417 C SER A 27 -18.027 -26.084 9.378 1.00 16.66 C ATOM 418 O SER A 27 -18.180 -25.440 8.359 1.00 16.66 O ATOM 419 CB SER A 27 -18.856 -25.424 11.638 1.00 50.00 C ATOM 420 OG SER A 27 -20.044 -25.177 10.900 1.00 50.00 O ATOM 0 H SER A 27 -18.048 -23.368 10.187 1.00 16.66 H new ATOM 0 HA SER A 27 -16.819 -25.923 11.158 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.920 -26.391 12.138 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.735 -24.670 12.416 1.00 50.00 H new ATOM 0 HG SER A 27 -20.815 -25.194 11.505 1.00 50.00 H new ATOM 426 N ALA A 28 -18.179 -27.378 9.385 1.00 16.66 N ATOM 427 CA ALA A 28 -18.547 -28.078 8.127 1.00 16.66 C ATOM 428 C ALA A 28 -19.750 -27.379 7.502 1.00 16.66 C ATOM 429 O ALA A 28 -19.779 -27.106 6.319 1.00 16.66 O ATOM 430 CB ALA A 28 -18.900 -29.536 8.432 1.00 50.00 C ATOM 0 H ALA A 28 -18.065 -27.977 10.203 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.706 -28.053 7.434 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -19.169 -30.046 7.507 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -18.040 -30.032 8.883 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.742 -29.570 9.123 1.00 50.00 H new ATOM 436 N ALA A 29 -20.746 -27.086 8.288 1.00 16.66 N ATOM 437 CA ALA A 29 -21.948 -26.403 7.740 1.00 16.66 C ATOM 438 C ALA A 29 -21.532 -25.095 7.072 1.00 16.66 C ATOM 439 O ALA A 29 -22.043 -24.725 6.034 1.00 16.66 O ATOM 440 CB ALA A 29 -22.932 -26.106 8.874 1.00 50.00 C ATOM 0 H ALA A 29 -20.780 -27.290 9.287 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.427 -27.050 7.005 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.812 -25.605 8.470 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.232 -27.040 9.349 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.454 -25.461 9.611 1.00 50.00 H new ATOM 446 N GLU A 30 -20.606 -24.388 7.657 1.00 16.66 N ATOM 447 CA GLU A 30 -20.163 -23.105 7.048 1.00 16.66 C ATOM 448 C GLU A 30 -19.259 -23.400 5.853 1.00 16.66 C ATOM 449 O GLU A 30 -19.493 -22.930 4.757 1.00 16.66 O ATOM 450 CB GLU A 30 -19.400 -22.278 8.087 1.00 16.66 C ATOM 451 CG GLU A 30 -20.345 -21.901 9.232 1.00 16.66 C ATOM 452 CD GLU A 30 -19.605 -21.019 10.243 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.598 -21.456 10.755 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.060 -19.923 10.490 1.00 16.66 O ATOM 0 H GLU A 30 -20.139 -24.642 8.527 1.00 16.66 H new ATOM 0 HA GLU A 30 -21.032 -22.539 6.713 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.554 -22.848 8.472 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.994 -21.378 7.625 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.214 -21.372 8.840 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.715 -22.801 9.723 1.00 16.66 H new ATOM 461 N LEU A 31 -18.230 -24.172 6.051 1.00 16.66 N ATOM 462 CA LEU A 31 -17.315 -24.493 4.922 1.00 16.66 C ATOM 463 C LEU A 31 -18.101 -25.227 3.840 1.00 16.66 C ATOM 464 O LEU A 31 -17.987 -24.934 2.666 1.00 16.66 O ATOM 465 CB LEU A 31 -16.178 -25.383 5.429 1.00 16.66 C ATOM 466 CG LEU A 31 -15.066 -25.448 4.381 1.00 16.66 C ATOM 467 CD1 LEU A 31 -13.776 -25.947 5.035 1.00 16.66 C ATOM 468 CD2 LEU A 31 -15.473 -26.411 3.263 1.00 16.66 C ATOM 0 H LEU A 31 -17.982 -24.595 6.945 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.896 -23.575 4.510 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.785 -24.988 6.366 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.553 -26.385 5.637 1.00 16.66 H new ATOM 0 HG LEU A 31 -14.903 -24.454 3.965 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -12.984 -25.993 4.288 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -13.484 -25.263 5.832 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.940 -26.941 5.452 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -14.680 -26.457 2.516 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -15.637 -27.405 3.680 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -16.392 -26.058 2.795 1.00 16.66 H new ATOM 480 N GLY A 32 -18.904 -26.176 4.227 1.00 16.66 N ATOM 481 CA GLY A 32 -19.706 -26.926 3.225 1.00 16.66 C ATOM 482 C GLY A 32 -20.646 -25.957 2.510 1.00 16.66 C ATOM 483 O GLY A 32 -20.801 -26.000 1.305 1.00 16.66 O ATOM 0 H GLY A 32 -19.040 -26.465 5.196 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -19.048 -27.412 2.505 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.279 -27.713 3.715 1.00 16.66 H new ATOM 487 N GLU A 33 -21.278 -25.085 3.244 1.00 16.66 N ATOM 488 CA GLU A 33 -22.213 -24.115 2.611 1.00 16.66 C ATOM 489 C GLU A 33 -21.481 -23.321 1.533 1.00 16.66 C ATOM 490 O GLU A 33 -21.987 -23.123 0.446 1.00 16.66 O ATOM 491 CB GLU A 33 -22.746 -23.155 3.676 1.00 50.00 C ATOM 492 CG GLU A 33 -24.114 -23.639 4.164 1.00 50.00 C ATOM 493 CD GLU A 33 -24.770 -22.543 5.007 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.257 -21.436 5.007 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.775 -22.830 5.636 1.00 50.00 O ATOM 0 H GLU A 33 -21.187 -25.002 4.257 1.00 16.66 H new ATOM 0 HA GLU A 33 -23.043 -24.657 2.158 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.049 -23.100 4.512 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -22.830 -22.149 3.264 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.749 -23.888 3.313 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -24.001 -24.548 4.754 1.00 50.00 H new ATOM 502 N ALA A 34 -20.293 -22.871 1.815 1.00 16.66 N ATOM 503 CA ALA A 34 -19.538 -22.101 0.792 1.00 16.66 C ATOM 504 C ALA A 34 -19.115 -23.056 -0.321 1.00 16.66 C ATOM 505 O ALA A 34 -19.120 -22.715 -1.488 1.00 16.66 O ATOM 506 CB ALA A 34 -18.298 -21.474 1.431 1.00 50.00 C ATOM 0 H ALA A 34 -19.814 -23.002 2.706 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.165 -21.308 0.385 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.747 -20.910 0.679 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.602 -20.804 2.235 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.660 -22.260 1.835 1.00 50.00 H new ATOM 512 N LEU A 35 -18.744 -24.252 0.037 1.00 99.99 N ATOM 513 CA LEU A 35 -18.314 -25.242 -0.988 1.00 99.99 C ATOM 514 C LEU A 35 -19.445 -25.482 -1.987 1.00 99.99 C ATOM 515 O LEU A 35 -19.209 -25.697 -3.159 1.00 99.99 O ATOM 516 CB LEU A 35 -17.953 -26.559 -0.302 1.00 99.99 C ATOM 517 CG LEU A 35 -16.448 -26.597 -0.033 1.00 99.99 C ATOM 518 CD1 LEU A 35 -16.096 -27.894 0.698 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.690 -26.538 -1.360 1.00 99.99 C ATOM 0 H LEU A 35 -18.720 -24.588 1.000 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.444 -24.854 -1.519 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.503 -26.657 0.634 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -18.242 -27.401 -0.931 1.00 99.99 H new ATOM 0 HG LEU A 35 -16.167 -25.743 0.583 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -15.024 -27.923 0.891 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.636 -27.937 1.644 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -16.377 -28.747 0.081 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.617 -26.565 -1.168 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.970 -27.392 -1.977 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.942 -25.615 -1.882 1.00 99.99 H new ATOM 531 N LYS A 36 -20.671 -25.456 -1.539 1.00 99.99 N ATOM 532 CA LYS A 36 -21.807 -25.693 -2.475 1.00 99.99 C ATOM 533 C LYS A 36 -21.574 -24.914 -3.769 1.00 99.99 C ATOM 534 O LYS A 36 -22.045 -25.288 -4.825 1.00 99.99 O ATOM 535 CB LYS A 36 -23.110 -25.223 -1.825 1.00 99.99 C ATOM 536 CG LYS A 36 -23.947 -26.440 -1.426 1.00 99.99 C ATOM 537 CD LYS A 36 -25.092 -25.995 -0.514 1.00 99.99 C ATOM 538 CE LYS A 36 -25.003 -26.743 0.817 1.00 99.99 C ATOM 539 NZ LYS A 36 -25.288 -28.189 0.593 1.00 99.99 N ATOM 0 H LYS A 36 -20.934 -25.282 -0.569 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.876 -26.757 -2.700 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.892 -24.614 -0.948 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.669 -24.595 -2.518 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.345 -26.928 -2.315 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.323 -27.172 -0.913 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -25.039 -24.920 -0.343 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -26.051 -26.195 -0.992 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.010 -26.620 1.250 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -25.716 -26.327 1.529 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -25.545 -28.636 1.496 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -26.076 -28.288 -0.079 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -24.442 -28.654 0.205 1.00 99.99 H new ATOM 553 N THR A 37 -20.853 -23.830 -3.695 1.00 99.99 N ATOM 554 CA THR A 37 -20.590 -23.024 -4.918 1.00 99.99 C ATOM 555 C THR A 37 -20.000 -23.925 -6.003 1.00 99.99 C ATOM 556 O THR A 37 -20.136 -23.665 -7.182 1.00 99.99 O ATOM 557 CB THR A 37 -19.600 -21.906 -4.580 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.587 -20.951 -5.631 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.199 -22.494 -4.403 1.00 99.99 C ATOM 0 H THR A 37 -20.434 -23.468 -2.838 1.00 99.99 H new ATOM 0 HA THR A 37 -21.521 -22.588 -5.280 1.00 99.99 H new ATOM 0 HB THR A 37 -19.905 -21.421 -3.653 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.855 -20.076 -5.281 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.497 -21.696 -4.163 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.210 -23.223 -3.593 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.890 -22.983 -5.327 1.00 99.99 H new ATOM 567 N LEU A 38 -19.346 -24.983 -5.613 1.00 16.66 N ATOM 568 CA LEU A 38 -18.748 -25.902 -6.620 1.00 16.66 C ATOM 569 C LEU A 38 -19.863 -26.534 -7.453 1.00 16.66 C ATOM 570 O LEU A 38 -19.702 -26.800 -8.628 1.00 16.66 O ATOM 571 CB LEU A 38 -17.960 -27.003 -5.907 1.00 50.00 C ATOM 572 CG LEU A 38 -16.773 -26.384 -5.165 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.818 -27.493 -4.719 1.00 50.00 C ATOM 574 CD2 LEU A 38 -16.035 -25.420 -6.096 1.00 50.00 C ATOM 0 H LEU A 38 -19.200 -25.251 -4.640 1.00 16.66 H new ATOM 0 HA LEU A 38 -18.077 -25.341 -7.270 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.606 -27.531 -5.205 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.607 -27.738 -6.630 1.00 50.00 H new ATOM 0 HG LEU A 38 -17.134 -25.840 -4.292 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -14.972 -27.054 -4.190 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.343 -28.180 -4.056 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.458 -28.036 -5.593 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -15.190 -24.979 -5.567 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.674 -25.963 -6.970 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.715 -24.630 -6.415 1.00 50.00 H new ATOM 586 N GLY A 39 -20.994 -26.777 -6.853 1.00 16.66 N ATOM 587 CA GLY A 39 -22.125 -27.391 -7.604 1.00 16.66 C ATOM 588 C GLY A 39 -21.776 -28.836 -7.965 1.00 16.66 C ATOM 589 O GLY A 39 -22.497 -29.496 -8.689 1.00 16.66 O ATOM 0 H GLY A 39 -21.185 -26.576 -5.871 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.032 -27.365 -7.000 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.328 -26.818 -8.509 1.00 16.66 H new ATOM 593 N SER A 40 -20.676 -29.337 -7.473 1.00 16.66 N ATOM 594 CA SER A 40 -20.288 -30.739 -7.794 1.00 16.66 C ATOM 595 C SER A 40 -19.401 -31.296 -6.678 1.00 16.66 C ATOM 596 O SER A 40 -18.338 -31.830 -6.926 1.00 16.66 O ATOM 597 CB SER A 40 -19.521 -30.761 -9.115 1.00 16.66 C ATOM 598 OG SER A 40 -18.884 -32.021 -9.272 1.00 16.66 O ATOM 0 H SER A 40 -20.030 -28.836 -6.863 1.00 16.66 H new ATOM 0 HA SER A 40 -21.184 -31.353 -7.881 1.00 16.66 H new ATOM 0 HB2 SER A 40 -20.202 -30.580 -9.946 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.780 -29.962 -9.131 1.00 16.66 H new ATOM 0 HG SER A 40 -18.133 -32.088 -8.646 1.00 16.66 H new ATOM 604 N ILE A 41 -19.830 -31.179 -5.452 1.00 16.66 N ATOM 605 CA ILE A 41 -19.013 -31.706 -4.324 1.00 16.66 C ATOM 606 C ILE A 41 -19.927 -32.441 -3.339 1.00 16.66 C ATOM 607 O ILE A 41 -21.105 -32.160 -3.242 1.00 16.66 O ATOM 608 CB ILE A 41 -18.309 -30.542 -3.612 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.133 -31.081 -2.797 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.288 -29.830 -2.674 1.00 50.00 C ATOM 611 CD1 ILE A 41 -15.899 -31.197 -3.694 1.00 16.66 C ATOM 0 H ILE A 41 -20.711 -30.741 -5.183 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.262 -32.397 -4.706 1.00 16.66 H new ATOM 0 HB ILE A 41 -17.949 -29.835 -4.359 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -16.924 -30.417 -1.958 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -17.384 -32.056 -2.378 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.779 -29.006 -2.174 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.127 -29.441 -3.251 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.656 -30.535 -1.929 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.061 -31.581 -3.112 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -16.111 -31.878 -4.518 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -15.644 -30.214 -4.091 1.00 16.66 H new ATOM 623 N THR A 42 -19.393 -33.376 -2.604 1.00 16.66 N ATOM 624 CA THR A 42 -20.231 -34.120 -1.622 1.00 16.66 C ATOM 625 C THR A 42 -19.929 -33.594 -0.225 1.00 16.66 C ATOM 626 O THR A 42 -18.941 -32.921 -0.007 1.00 16.66 O ATOM 627 CB THR A 42 -19.910 -35.626 -1.673 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.221 -36.008 -0.489 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.033 -35.941 -2.886 1.00 16.66 C ATOM 0 H THR A 42 -18.413 -33.657 -2.640 1.00 16.66 H new ATOM 0 HA THR A 42 -21.283 -33.976 -1.866 1.00 16.66 H new ATOM 0 HB THR A 42 -20.845 -36.180 -1.753 1.00 16.66 H new ATOM 0 HG1 THR A 42 -19.548 -36.881 -0.188 1.00 16.66 H new ATOM 0 HG21 THR A 42 -18.814 -37.009 -2.909 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.559 -35.658 -3.798 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.101 -35.381 -2.816 1.00 16.66 H new ATOM 637 N PRO A 43 -20.782 -33.929 0.745 1.00 16.66 N ATOM 638 CA PRO A 43 -20.584 -33.511 2.129 1.00 16.66 C ATOM 639 C PRO A 43 -19.380 -34.234 2.725 1.00 16.66 C ATOM 640 O PRO A 43 -18.671 -33.711 3.563 1.00 16.66 O ATOM 641 CB PRO A 43 -21.873 -33.946 2.827 1.00 50.00 C ATOM 642 CG PRO A 43 -22.391 -35.065 1.989 1.00 50.00 C ATOM 643 CD PRO A 43 -21.999 -34.743 0.575 1.00 50.00 C ATOM 0 HA PRO A 43 -20.390 -32.443 2.232 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.681 -34.272 3.849 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.590 -33.127 2.883 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -21.965 -36.017 2.304 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.473 -35.153 2.083 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -21.803 -35.645 -0.005 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.783 -34.193 0.054 1.00 50.00 H new ATOM 651 N ASP A 44 -19.154 -35.446 2.296 1.00 16.66 N ATOM 652 CA ASP A 44 -18.004 -36.229 2.827 1.00 16.66 C ATOM 653 C ASP A 44 -16.689 -35.532 2.477 1.00 16.66 C ATOM 654 O ASP A 44 -15.708 -35.662 3.181 1.00 16.66 O ATOM 655 CB ASP A 44 -18.016 -37.632 2.216 1.00 50.00 C ATOM 656 CG ASP A 44 -19.302 -38.355 2.624 1.00 50.00 C ATOM 657 OD1 ASP A 44 -19.936 -37.909 3.567 1.00 50.00 O ATOM 658 OD2 ASP A 44 -19.630 -39.342 1.986 1.00 50.00 O ATOM 0 H ASP A 44 -19.719 -35.929 1.598 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.092 -36.300 3.911 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -17.951 -37.568 1.130 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.146 -38.195 2.555 1.00 50.00 H new ATOM 663 N GLU A 45 -16.653 -34.787 1.405 1.00 16.66 N ATOM 664 CA GLU A 45 -15.391 -34.089 1.042 1.00 16.66 C ATOM 665 C GLU A 45 -15.283 -32.824 1.884 1.00 16.66 C ATOM 666 O GLU A 45 -14.217 -32.437 2.318 1.00 16.66 O ATOM 667 CB GLU A 45 -15.415 -33.722 -0.444 1.00 16.66 C ATOM 668 CG GLU A 45 -15.580 -34.992 -1.279 1.00 16.66 C ATOM 669 CD GLU A 45 -14.303 -35.831 -1.190 1.00 16.66 C ATOM 670 OE1 GLU A 45 -13.303 -35.306 -0.730 1.00 16.66 O ATOM 671 OE2 GLU A 45 -14.348 -36.985 -1.583 1.00 16.66 O ATOM 0 H GLU A 45 -17.437 -34.634 0.771 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.535 -34.737 1.230 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.234 -33.032 -0.646 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.492 -33.211 -0.718 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -16.432 -35.568 -0.919 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -15.786 -34.733 -2.318 1.00 16.66 H new ATOM 678 N VAL A 46 -16.392 -32.186 2.130 1.00 16.66 N ATOM 679 CA VAL A 46 -16.369 -30.953 2.961 1.00 16.66 C ATOM 680 C VAL A 46 -15.917 -31.322 4.371 1.00 16.66 C ATOM 681 O VAL A 46 -15.169 -30.605 5.007 1.00 16.66 O ATOM 682 CB VAL A 46 -17.771 -30.342 3.008 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.796 -29.175 4.000 1.00 50.00 C ATOM 684 CG2 VAL A 46 -18.142 -29.838 1.614 1.00 50.00 C ATOM 0 H VAL A 46 -17.313 -32.465 1.791 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.680 -30.225 2.532 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.488 -31.097 3.330 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.797 -28.744 4.029 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -17.527 -29.536 4.993 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -17.082 -28.414 3.685 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -19.140 -29.401 1.639 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -17.423 -29.083 1.297 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -18.128 -30.670 0.910 1.00 50.00 H new ATOM 694 N LYS A 47 -16.355 -32.449 4.856 1.00 16.66 N ATOM 695 CA LYS A 47 -15.941 -32.884 6.216 1.00 16.66 C ATOM 696 C LYS A 47 -14.479 -33.318 6.159 1.00 16.66 C ATOM 697 O LYS A 47 -13.713 -33.089 7.074 1.00 16.66 O ATOM 698 CB LYS A 47 -16.811 -34.060 6.668 1.00 16.66 C ATOM 699 CG LYS A 47 -18.217 -33.558 7.000 1.00 16.66 C ATOM 700 CD LYS A 47 -19.062 -34.721 7.525 1.00 16.66 C ATOM 701 CE LYS A 47 -18.641 -35.051 8.958 1.00 50.00 C ATOM 702 NZ LYS A 47 -19.820 -34.933 9.862 1.00 50.00 N ATOM 0 H LYS A 47 -16.983 -33.088 4.368 1.00 16.66 H new ATOM 0 HA LYS A 47 -16.061 -32.064 6.925 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.859 -34.814 5.882 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.369 -34.538 7.542 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -18.165 -32.766 7.747 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.681 -33.129 6.112 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -20.119 -34.458 7.497 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.934 -35.595 6.886 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -18.233 -36.061 9.005 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -17.852 -34.373 9.282 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -19.534 -35.157 10.836 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -20.190 -33.962 9.825 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.560 -35.597 9.557 1.00 50.00 H new ATOM 716 N HIS A 48 -14.088 -33.937 5.080 1.00 16.66 N ATOM 717 CA HIS A 48 -12.675 -34.381 4.944 1.00 16.66 C ATOM 718 C HIS A 48 -11.776 -33.149 4.835 1.00 16.66 C ATOM 719 O HIS A 48 -10.682 -33.120 5.363 1.00 16.66 O ATOM 720 CB HIS A 48 -12.525 -35.236 3.686 1.00 16.66 C ATOM 721 CG HIS A 48 -11.082 -35.623 3.513 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.683 -36.942 3.365 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.931 -34.875 3.463 1.00 16.66 C ATOM 724 CE1 HIS A 48 -9.344 -36.948 3.234 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.835 -35.715 3.286 1.00 50.00 N ATOM 0 H HIS A 48 -14.689 -34.155 4.285 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.389 -34.972 5.814 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -13.145 -36.129 3.764 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.871 -34.682 2.813 1.00 16.66 H new ATOM 0 HD1 HIS A 48 -11.293 -37.759 3.357 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.884 -33.799 3.548 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.753 -37.842 3.103 1.00 50.00 H new ATOM 733 N MET A 49 -12.231 -32.125 4.162 1.00 16.66 N ATOM 734 CA MET A 49 -11.403 -30.900 4.035 1.00 16.66 C ATOM 735 C MET A 49 -11.134 -30.349 5.430 1.00 16.66 C ATOM 736 O MET A 49 -10.015 -30.038 5.787 1.00 16.66 O ATOM 737 CB MET A 49 -12.160 -29.858 3.211 1.00 16.66 C ATOM 738 CG MET A 49 -11.911 -30.105 1.722 1.00 16.66 C ATOM 739 SD MET A 49 -12.060 -28.543 0.819 1.00 16.66 S ATOM 740 CE MET A 49 -12.918 -29.203 -0.631 1.00 16.66 C ATOM 0 H MET A 49 -13.138 -32.088 3.698 1.00 16.66 H new ATOM 0 HA MET A 49 -10.461 -31.134 3.538 1.00 16.66 H new ATOM 0 HB2 MET A 49 -13.227 -29.914 3.426 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.832 -28.855 3.484 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.918 -30.530 1.574 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.629 -30.830 1.337 1.00 16.66 H new ATOM 0 HE1 MET A 49 -13.115 -28.395 -1.336 1.00 16.66 H new ATOM 0 HE2 MET A 49 -12.295 -29.959 -1.110 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.862 -29.653 -0.322 1.00 16.66 H new ATOM 750 N MET A 50 -12.159 -30.236 6.224 1.00 16.66 N ATOM 751 CA MET A 50 -11.980 -29.719 7.603 1.00 16.66 C ATOM 752 C MET A 50 -11.053 -30.660 8.368 1.00 16.66 C ATOM 753 O MET A 50 -10.111 -30.241 9.006 1.00 16.66 O ATOM 754 CB MET A 50 -13.341 -29.663 8.293 1.00 16.66 C ATOM 755 CG MET A 50 -14.154 -28.504 7.716 1.00 16.66 C ATOM 756 SD MET A 50 -15.439 -28.023 8.896 1.00 16.66 S ATOM 757 CE MET A 50 -14.335 -27.384 10.180 1.00 50.00 C ATOM 0 H MET A 50 -13.117 -30.481 5.974 1.00 16.66 H new ATOM 0 HA MET A 50 -11.545 -28.720 7.578 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.874 -30.603 8.148 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.212 -29.532 9.367 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.501 -27.656 7.507 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.607 -28.799 6.769 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.804 -26.532 10.672 1.00 50.00 H new ATOM 0 HE2 MET A 50 -14.141 -28.165 10.915 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.394 -27.070 9.728 1.00 50.00 H new ATOM 767 N ALA A 51 -11.315 -31.932 8.301 1.00 16.66 N ATOM 768 CA ALA A 51 -10.451 -32.911 9.017 1.00 16.66 C ATOM 769 C ALA A 51 -9.005 -32.741 8.550 1.00 16.66 C ATOM 770 O ALA A 51 -8.074 -33.154 9.215 1.00 16.66 O ATOM 771 CB ALA A 51 -10.924 -34.332 8.705 1.00 50.00 C ATOM 0 H ALA A 51 -12.092 -32.339 7.780 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.512 -32.737 10.091 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -10.292 -35.049 9.229 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.957 -34.452 9.032 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.861 -34.509 7.631 1.00 50.00 H new ATOM 777 N GLU A 52 -8.808 -32.135 7.412 1.00 16.66 N ATOM 778 CA GLU A 52 -7.422 -31.935 6.903 1.00 16.66 C ATOM 779 C GLU A 52 -6.979 -30.502 7.193 1.00 16.66 C ATOM 780 O GLU A 52 -5.835 -30.245 7.511 1.00 16.66 O ATOM 781 CB GLU A 52 -7.389 -32.188 5.395 1.00 16.66 C ATOM 782 CG GLU A 52 -7.258 -33.691 5.135 1.00 16.66 C ATOM 783 CD GLU A 52 -6.764 -33.922 3.706 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.759 -32.971 2.941 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.401 -35.045 3.399 1.00 16.66 O ATOM 0 H GLU A 52 -9.547 -31.769 6.812 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.747 -32.632 7.399 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -8.298 -31.805 4.931 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.552 -31.655 4.944 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.562 -34.135 5.847 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -8.220 -34.181 5.282 1.00 16.66 H new ATOM 792 N ILE A 53 -7.880 -29.567 7.086 1.00 16.66 N ATOM 793 CA ILE A 53 -7.525 -28.149 7.358 1.00 16.66 C ATOM 794 C ILE A 53 -7.519 -27.903 8.868 1.00 16.66 C ATOM 795 O ILE A 53 -6.735 -27.129 9.380 1.00 16.66 O ATOM 796 CB ILE A 53 -8.560 -27.245 6.696 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.552 -27.489 5.186 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.219 -25.785 6.986 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.667 -26.676 4.531 1.00 50.00 C ATOM 0 H ILE A 53 -8.852 -29.726 6.820 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.535 -27.932 6.957 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.551 -27.468 7.093 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.587 -27.206 4.767 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.691 -28.550 4.978 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.958 -25.138 6.513 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.225 -25.617 8.063 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.230 -25.557 6.589 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.661 -26.850 3.455 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.629 -26.981 4.942 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.508 -25.616 4.728 1.00 50.00 H new ATOM 811 N ASP A 54 -8.386 -28.563 9.581 1.00 16.66 N ATOM 812 CA ASP A 54 -8.444 -28.389 11.057 1.00 16.66 C ATOM 813 C ASP A 54 -7.082 -28.757 11.657 1.00 16.66 C ATOM 814 O ASP A 54 -6.747 -29.916 11.798 1.00 16.66 O ATOM 815 CB ASP A 54 -9.531 -29.317 11.603 1.00 16.66 C ATOM 816 CG ASP A 54 -10.065 -28.784 12.933 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.596 -27.747 13.366 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.945 -29.417 13.492 1.00 16.66 O ATOM 0 H ASP A 54 -9.064 -29.223 9.200 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.676 -27.357 11.319 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.345 -29.398 10.883 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -9.127 -30.320 11.741 1.00 16.66 H new ATOM 823 N THR A 55 -6.288 -27.774 11.990 1.00 16.66 N ATOM 824 CA THR A 55 -4.935 -28.055 12.557 1.00 16.66 C ATOM 825 C THR A 55 -5.044 -28.638 13.968 1.00 16.66 C ATOM 826 O THR A 55 -4.409 -29.623 14.291 1.00 16.66 O ATOM 827 CB THR A 55 -4.134 -26.754 12.616 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.815 -25.817 13.438 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.981 -26.184 11.205 1.00 50.00 C ATOM 0 H THR A 55 -6.518 -26.785 11.894 1.00 16.66 H new ATOM 0 HA THR A 55 -4.435 -28.781 11.916 1.00 16.66 H new ATOM 0 HB THR A 55 -3.147 -26.952 13.034 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.768 -26.042 13.469 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.410 -25.257 11.247 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.457 -26.904 10.576 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.967 -25.984 10.784 1.00 50.00 H new ATOM 837 N ASP A 56 -5.834 -28.040 14.812 1.00 16.66 N ATOM 838 CA ASP A 56 -5.966 -28.568 16.202 1.00 16.66 C ATOM 839 C ASP A 56 -7.051 -29.647 16.239 1.00 16.66 C ATOM 840 O ASP A 56 -6.928 -30.645 16.920 1.00 16.66 O ATOM 841 CB ASP A 56 -6.326 -27.425 17.159 1.00 16.66 C ATOM 842 CG ASP A 56 -7.815 -27.093 17.041 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.245 -26.768 15.949 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.497 -27.171 18.049 1.00 16.66 O ATOM 0 H ASP A 56 -6.393 -27.212 14.604 1.00 16.66 H new ATOM 0 HA ASP A 56 -5.018 -29.005 16.516 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.089 -27.710 18.184 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.729 -26.543 16.926 1.00 16.66 H new ATOM 849 N GLY A 57 -8.103 -29.461 15.493 1.00 16.66 N ATOM 850 CA GLY A 57 -9.185 -30.486 15.468 1.00 16.66 C ATOM 851 C GLY A 57 -10.358 -30.060 16.358 1.00 16.66 C ATOM 852 O GLY A 57 -11.082 -30.891 16.870 1.00 16.66 O ATOM 0 H GLY A 57 -8.261 -28.646 14.900 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.532 -30.630 14.445 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.793 -31.444 15.809 1.00 16.66 H new ATOM 856 N ASP A 58 -10.569 -28.785 16.542 1.00 16.66 N ATOM 857 CA ASP A 58 -11.716 -28.353 17.393 1.00 16.66 C ATOM 858 C ASP A 58 -13.006 -28.432 16.573 1.00 16.66 C ATOM 859 O ASP A 58 -14.085 -28.174 17.068 1.00 16.66 O ATOM 860 CB ASP A 58 -11.503 -26.917 17.883 1.00 50.00 C ATOM 861 CG ASP A 58 -11.597 -25.951 16.703 1.00 50.00 C ATOM 862 OD1 ASP A 58 -11.108 -26.297 15.644 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.157 -24.882 16.880 1.00 50.00 O ATOM 0 H ASP A 58 -10.006 -28.032 16.146 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.788 -29.010 18.260 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.252 -26.664 18.633 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.528 -26.827 18.362 1.00 50.00 H new ATOM 868 N GLY A 59 -12.903 -28.799 15.322 1.00 16.66 N ATOM 869 CA GLY A 59 -14.121 -28.906 14.472 1.00 16.66 C ATOM 870 C GLY A 59 -14.265 -27.654 13.605 1.00 16.66 C ATOM 871 O GLY A 59 -15.134 -27.572 12.760 1.00 16.66 O ATOM 0 H GLY A 59 -12.026 -29.029 14.854 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -14.056 -29.791 13.839 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -15.004 -29.027 15.100 1.00 16.66 H new ATOM 875 N PHE A 60 -13.431 -26.670 13.810 1.00 16.66 N ATOM 876 CA PHE A 60 -13.549 -25.430 12.994 1.00 16.66 C ATOM 877 C PHE A 60 -12.184 -24.973 12.473 1.00 16.66 C ATOM 878 O PHE A 60 -11.133 -25.264 13.037 1.00 16.66 O ATOM 879 CB PHE A 60 -14.145 -24.313 13.846 1.00 50.00 C ATOM 880 CG PHE A 60 -15.355 -24.827 14.579 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.596 -24.862 13.936 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.238 -25.265 15.902 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.722 -25.336 14.615 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.364 -25.740 16.583 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.607 -25.775 15.939 1.00 50.00 C ATOM 0 H PHE A 60 -12.680 -26.671 14.501 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.194 -25.650 12.143 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.404 -23.950 14.558 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.421 -23.469 13.215 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.685 -24.523 12.915 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.279 -25.237 16.398 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.681 -25.363 14.118 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.275 -26.079 17.604 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.477 -26.141 16.464 1.00 50.00 H new ATOM 895 N ILE A 61 -12.200 -24.230 11.399 1.00 16.66 N ATOM 896 CA ILE A 61 -10.937 -23.713 10.827 1.00 16.66 C ATOM 897 C ILE A 61 -10.868 -22.210 11.101 1.00 16.66 C ATOM 898 O ILE A 61 -11.800 -21.479 10.828 1.00 16.66 O ATOM 899 CB ILE A 61 -10.921 -23.958 9.317 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.320 -25.407 9.027 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.515 -23.696 8.775 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.345 -26.361 9.722 1.00 16.66 C ATOM 0 H ILE A 61 -13.044 -23.960 10.894 1.00 16.66 H new ATOM 0 HA ILE A 61 -10.083 -24.219 11.278 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.629 -23.286 8.833 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.336 -25.591 9.377 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.316 -25.587 7.952 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.502 -23.870 7.699 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.233 -22.663 8.979 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.807 -24.368 9.260 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.633 -27.391 9.513 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.336 -26.184 9.351 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.371 -26.188 10.798 1.00 16.66 H new ATOM 914 N SER A 62 -9.778 -21.738 11.629 1.00 16.66 N ATOM 915 CA SER A 62 -9.656 -20.284 11.909 1.00 16.66 C ATOM 916 C SER A 62 -8.910 -19.626 10.753 1.00 16.66 C ATOM 917 O SER A 62 -8.323 -20.294 9.924 1.00 16.66 O ATOM 918 CB SER A 62 -8.877 -20.077 13.210 1.00 16.66 C ATOM 919 OG SER A 62 -9.511 -20.793 14.261 1.00 16.66 O ATOM 0 H SER A 62 -8.963 -22.298 11.880 1.00 16.66 H new ATOM 0 HA SER A 62 -10.646 -19.839 12.013 1.00 16.66 H new ATOM 0 HB2 SER A 62 -7.850 -20.421 13.090 1.00 16.66 H new ATOM 0 HB3 SER A 62 -8.832 -19.016 13.454 1.00 16.66 H new ATOM 0 HG SER A 62 -9.011 -20.662 15.094 1.00 16.66 H new ATOM 925 N PHE A 63 -8.923 -18.328 10.682 1.00 16.66 N ATOM 926 CA PHE A 63 -8.208 -17.655 9.569 1.00 16.66 C ATOM 927 C PHE A 63 -6.763 -18.139 9.559 1.00 16.66 C ATOM 928 O PHE A 63 -6.192 -18.416 8.523 1.00 16.66 O ATOM 929 CB PHE A 63 -8.236 -16.141 9.763 1.00 16.66 C ATOM 930 CG PHE A 63 -7.506 -15.499 8.613 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.897 -15.777 7.300 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.433 -14.635 8.858 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.217 -15.190 6.228 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.752 -14.048 7.786 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.145 -14.325 6.471 1.00 16.66 C ATOM 0 H PHE A 63 -9.394 -17.708 11.341 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.695 -17.895 8.624 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.265 -15.783 9.806 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.765 -15.871 10.708 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.725 -16.445 7.113 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.131 -14.422 9.873 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.519 -15.404 5.214 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -4.923 -13.381 7.973 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.620 -13.870 5.644 1.00 16.66 H new ATOM 945 N GLN A 64 -6.169 -18.245 10.713 1.00 16.66 N ATOM 946 CA GLN A 64 -4.764 -18.715 10.789 1.00 16.66 C ATOM 947 C GLN A 64 -4.674 -20.133 10.221 1.00 16.66 C ATOM 948 O GLN A 64 -3.824 -20.435 9.408 1.00 16.66 O ATOM 949 CB GLN A 64 -4.321 -18.717 12.250 1.00 16.66 C ATOM 950 CG GLN A 64 -2.816 -18.982 12.329 1.00 16.66 C ATOM 951 CD GLN A 64 -2.057 -17.777 11.771 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.191 -16.676 12.269 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.260 -17.939 10.750 1.00 50.00 N ATOM 0 H GLN A 64 -6.601 -18.025 11.611 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.118 -18.054 10.211 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.557 -17.759 12.713 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.865 -19.482 12.805 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.522 -19.164 13.363 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.563 -19.879 11.763 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.148 -18.863 10.332 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.750 -17.142 10.370 1.00 50.00 H new ATOM 962 N GLU A 65 -5.554 -21.006 10.639 1.00 16.66 N ATOM 963 CA GLU A 65 -5.525 -22.399 10.118 1.00 16.66 C ATOM 964 C GLU A 65 -5.733 -22.367 8.605 1.00 16.66 C ATOM 965 O GLU A 65 -5.020 -23.004 7.854 1.00 16.66 O ATOM 966 CB GLU A 65 -6.650 -23.207 10.767 1.00 16.66 C ATOM 967 CG GLU A 65 -6.213 -23.684 12.155 1.00 16.66 C ATOM 968 CD GLU A 65 -7.361 -24.454 12.820 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.496 -24.169 12.515 1.00 16.66 O ATOM 970 OE2 GLU A 65 -7.084 -25.317 13.622 1.00 16.66 O ATOM 0 H GLU A 65 -6.290 -20.812 11.318 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.566 -22.861 10.350 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.549 -22.595 10.849 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.903 -24.063 10.141 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.334 -24.323 12.071 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.929 -22.831 12.771 1.00 16.66 H new ATOM 977 N PHE A 66 -6.703 -21.624 8.155 1.00 16.66 N ATOM 978 CA PHE A 66 -6.961 -21.539 6.692 1.00 16.66 C ATOM 979 C PHE A 66 -5.714 -21.002 5.994 1.00 16.66 C ATOM 980 O PHE A 66 -5.329 -21.464 4.938 1.00 16.66 O ATOM 981 CB PHE A 66 -8.137 -20.594 6.436 1.00 16.66 C ATOM 982 CG PHE A 66 -8.504 -20.631 4.973 1.00 16.66 C ATOM 983 CD1 PHE A 66 -9.441 -21.562 4.511 1.00 16.66 C ATOM 984 CD2 PHE A 66 -7.909 -19.732 4.079 1.00 16.66 C ATOM 985 CE1 PHE A 66 -9.782 -21.597 3.153 1.00 16.66 C ATOM 986 CE2 PHE A 66 -8.251 -19.767 2.722 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.187 -20.699 2.259 1.00 16.66 C ATOM 0 H PHE A 66 -7.330 -21.070 8.739 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.201 -22.528 6.303 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.993 -20.888 7.044 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.872 -19.578 6.730 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -9.901 -22.253 5.201 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -7.187 -19.013 4.436 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -10.504 -22.317 2.796 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -7.792 -19.074 2.032 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.450 -20.725 1.212 1.00 16.66 H new ATOM 997 N THR A 67 -5.078 -20.031 6.583 1.00 16.66 N ATOM 998 CA THR A 67 -3.850 -19.458 5.967 1.00 16.66 C ATOM 999 C THR A 67 -2.763 -20.533 5.921 1.00 16.66 C ATOM 1000 O THR A 67 -2.111 -20.727 4.915 1.00 16.66 O ATOM 1001 CB THR A 67 -3.366 -18.274 6.807 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.269 -17.188 6.654 1.00 50.00 O ATOM 1003 CG2 THR A 67 -1.971 -17.850 6.344 1.00 50.00 C ATOM 0 H THR A 67 -5.356 -19.607 7.468 1.00 16.66 H new ATOM 0 HA THR A 67 -4.069 -19.117 4.955 1.00 16.66 H new ATOM 0 HB THR A 67 -3.322 -18.567 7.856 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.071 -17.351 7.194 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.629 -17.007 6.944 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.279 -18.684 6.463 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.009 -17.557 5.295 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.566 -21.235 7.002 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.522 -22.299 7.019 1.00 25.00 C ATOM 1013 C ASP A 68 -1.827 -23.325 5.928 1.00 25.00 C ATOM 1014 O ASP A 68 -0.941 -23.813 5.254 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.518 -22.991 8.384 1.00 25.00 C ATOM 1016 CG ASP A 68 -1.028 -22.009 9.451 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.501 -20.974 9.079 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.191 -22.309 10.623 1.00 50.00 O ATOM 0 H ASP A 68 -3.082 -21.119 7.874 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.544 -21.853 6.837 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.521 -23.341 8.629 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.872 -23.868 8.357 1.00 25.00 H new ATOM 1023 N PHE A 69 -3.076 -23.652 5.746 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.446 -24.638 4.699 1.00 25.00 C ATOM 1025 C PHE A 69 -3.462 -23.924 3.343 1.00 25.00 C ATOM 1026 O PHE A 69 -3.086 -24.481 2.330 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.826 -25.228 5.043 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.611 -25.517 3.789 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.206 -24.464 3.092 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.739 -26.829 3.324 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.932 -24.720 1.924 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.464 -27.087 2.157 1.00 50.00 C ATOM 1033 CZ PHE A 69 -7.061 -26.033 1.455 1.00 50.00 C ATOM 0 H PHE A 69 -3.858 -23.276 6.281 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.726 -25.455 4.651 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.701 -26.145 5.619 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.379 -24.530 5.671 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -6.106 -23.452 3.455 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.278 -27.642 3.866 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.393 -23.906 1.384 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.564 -28.100 1.797 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.620 -26.232 0.553 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.890 -22.692 3.320 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.923 -21.938 2.035 1.00 16.66 C ATOM 1045 C GLY A 70 -2.503 -21.845 1.473 1.00 16.66 C ATOM 1046 O GLY A 70 -2.298 -21.823 0.276 1.00 16.66 O ATOM 0 H GLY A 70 -4.218 -22.175 4.135 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.578 -22.439 1.322 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.330 -20.940 2.195 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.522 -21.798 2.332 1.00 25.00 N ATOM 1051 CA ARG A 71 -0.114 -21.714 1.851 1.00 25.00 C ATOM 1052 C ARG A 71 0.277 -23.048 1.217 1.00 25.00 C ATOM 1053 O ARG A 71 1.014 -23.099 0.253 1.00 25.00 O ATOM 1054 CB ARG A 71 0.812 -21.418 3.032 1.00 50.00 C ATOM 1055 CG ARG A 71 0.554 -19.997 3.537 1.00 50.00 C ATOM 1056 CD ARG A 71 1.513 -19.683 4.687 1.00 50.00 C ATOM 1057 NE ARG A 71 1.322 -20.678 5.780 1.00 50.00 N ATOM 1058 CZ ARG A 71 1.769 -20.424 6.979 1.00 50.00 C ATOM 1059 NH1 ARG A 71 2.806 -21.070 7.440 1.00 50.00 N ATOM 1060 NH2 ARG A 71 1.180 -19.524 7.719 1.00 50.00 N ATOM 0 H ARG A 71 -1.634 -21.814 3.346 1.00 25.00 H new ATOM 0 HA ARG A 71 -0.023 -20.916 1.114 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.639 -22.137 3.833 1.00 50.00 H new ATOM 0 HB3 ARG A 71 1.853 -21.524 2.727 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.693 -19.281 2.727 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.478 -19.901 3.873 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.543 -19.710 4.333 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.331 -18.676 5.062 1.00 50.00 H new ATOM 0 HE ARG A 71 0.842 -21.558 5.591 1.00 50.00 H new ATOM 0 HH11 ARG A 71 3.267 -21.773 6.863 1.00 50.00 H new ATOM 0 HH12 ARG A 71 3.155 -20.871 8.377 1.00 50.00 H new ATOM 0 HH21 ARG A 71 0.370 -19.019 7.360 1.00 50.00 H new ATOM 0 HH22 ARG A 71 1.530 -19.326 8.656 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.218 -24.130 1.752 1.00 25.00 N ATOM 1075 CA ALA A 72 0.115 -25.465 1.184 1.00 25.00 C ATOM 1076 C ALA A 72 -0.782 -25.743 -0.024 1.00 25.00 C ATOM 1077 O ALA A 72 -0.658 -26.758 -0.681 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.112 -26.542 2.248 1.00 50.00 C ATOM 0 H ALA A 72 -0.840 -24.146 2.560 1.00 25.00 H new ATOM 0 HA ALA A 72 1.159 -25.478 0.871 1.00 25.00 H new ATOM 0 HB1 ALA A 72 0.131 -27.520 1.833 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.527 -26.344 3.109 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.156 -26.530 2.561 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.685 -24.848 -0.324 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.588 -25.055 -1.486 1.00 25.00 C ATOM 1086 C ASN A 73 -2.955 -23.696 -2.074 1.00 25.00 C ATOM 1087 O ASN A 73 -4.104 -23.414 -2.351 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.856 -25.776 -1.025 1.00 25.00 C ATOM 1089 CG ASN A 73 -3.492 -27.166 -0.501 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -3.192 -28.059 -1.268 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.507 -27.389 0.784 1.00 50.00 N ATOM 0 H ASN A 73 -1.834 -23.980 0.190 1.00 25.00 H new ATOM 0 HA ASN A 73 -2.088 -25.660 -2.242 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.351 -25.199 -0.243 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -4.560 -25.861 -1.853 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.267 -28.313 1.144 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -3.759 -26.640 1.429 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.983 -22.849 -2.267 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.269 -21.506 -2.838 1.00 25.00 C ATOM 1100 C ARG A 74 -2.980 -21.689 -4.172 1.00 25.00 C ATOM 1101 O ARG A 74 -4.000 -21.084 -4.437 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.957 -20.748 -3.054 1.00 25.00 C ATOM 1103 CG ARG A 74 -0.263 -20.535 -1.707 1.00 25.00 C ATOM 1104 CD ARG A 74 0.973 -19.655 -1.904 1.00 25.00 C ATOM 1105 NE ARG A 74 1.678 -19.489 -0.601 1.00 25.00 N ATOM 1106 CZ ARG A 74 2.838 -18.893 -0.558 1.00 50.00 C ATOM 1107 NH1 ARG A 74 3.671 -19.014 -1.556 1.00 50.00 N ATOM 1108 NH2 ARG A 74 3.166 -18.176 0.482 1.00 50.00 N ATOM 0 H ARG A 74 -1.002 -23.030 -2.053 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.898 -20.936 -2.154 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.307 -21.309 -3.725 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -1.154 -19.787 -3.530 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.949 -20.065 -1.003 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.025 -21.495 -1.278 1.00 25.00 H new ATOM 0 HD2 ARG A 74 1.642 -20.107 -2.636 1.00 25.00 H new ATOM 0 HD3 ARG A 74 0.681 -18.682 -2.298 1.00 25.00 H new ATOM 0 HE ARG A 74 1.254 -19.841 0.257 1.00 25.00 H new ATOM 0 HH11 ARG A 74 3.415 -19.574 -2.369 1.00 50.00 H new ATOM 0 HH12 ARG A 74 4.578 -18.548 -1.523 1.00 50.00 H new ATOM 0 HH21 ARG A 74 2.515 -18.081 1.262 1.00 50.00 H new ATOM 0 HH22 ARG A 74 4.073 -17.710 0.515 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.452 -22.532 -5.009 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.094 -22.775 -6.325 1.00 25.00 C ATOM 1124 C GLY A 75 -4.553 -23.169 -6.103 1.00 25.00 C ATOM 1125 O GLY A 75 -5.393 -22.993 -6.963 1.00 25.00 O ATOM 0 H GLY A 75 -1.600 -23.065 -4.837 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.036 -21.879 -6.943 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.568 -23.566 -6.860 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.862 -23.700 -4.950 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.266 -24.102 -4.672 1.00 25.00 C ATOM 1131 C LEU A 76 -7.079 -22.867 -4.289 1.00 25.00 C ATOM 1132 O LEU A 76 -8.185 -22.667 -4.751 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.287 -25.107 -3.519 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.642 -26.417 -3.977 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -4.143 -26.205 -4.196 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -5.856 -27.492 -2.908 1.00 50.00 C ATOM 0 H LEU A 76 -4.202 -23.871 -4.191 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.699 -24.561 -5.561 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.749 -24.704 -2.661 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.313 -25.287 -3.197 1.00 25.00 H new ATOM 0 HG LEU A 76 -6.101 -26.737 -4.913 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -3.687 -27.140 -4.522 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -3.991 -25.442 -4.959 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -3.681 -25.882 -3.263 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -5.397 -28.425 -3.234 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -5.400 -27.170 -1.972 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.924 -27.647 -2.756 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.538 -22.040 -3.440 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.274 -20.817 -3.015 1.00 25.00 C ATOM 1150 C LEU A 77 -7.514 -19.910 -4.222 1.00 25.00 C ATOM 1151 O LEU A 77 -8.540 -19.269 -4.334 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.450 -20.064 -1.967 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.353 -20.905 -0.693 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.806 -20.042 0.446 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.742 -21.424 -0.316 1.00 50.00 C ATOM 0 H LEU A 77 -5.616 -22.158 -3.021 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.234 -21.106 -2.587 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.453 -19.855 -2.354 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -6.914 -19.103 -1.746 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.685 -21.749 -0.865 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.736 -20.640 1.355 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.816 -19.671 0.179 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.475 -19.199 0.617 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -7.672 -22.023 0.592 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -8.411 -20.581 -0.144 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -8.133 -22.038 -1.127 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.575 -19.845 -5.123 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.750 -18.974 -6.320 1.00 25.00 C ATOM 1169 C LYS A 78 -7.872 -19.529 -7.199 1.00 25.00 C ATOM 1170 O LYS A 78 -8.452 -18.821 -7.999 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.446 -18.942 -7.119 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.364 -18.235 -6.302 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.180 -17.893 -7.209 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.568 -19.184 -7.757 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.509 -18.849 -8.751 1.00 50.00 N ATOM 0 H LYS A 78 -5.694 -20.357 -5.083 1.00 25.00 H new ATOM 0 HA LYS A 78 -7.008 -17.965 -6.000 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.130 -19.957 -7.360 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.600 -18.423 -8.065 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.767 -17.327 -5.854 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -4.035 -18.875 -5.483 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.509 -17.257 -8.030 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.431 -17.331 -6.651 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -2.145 -19.772 -6.943 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.340 -19.795 -8.224 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -1.093 -19.726 -9.124 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -1.926 -18.304 -9.533 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -0.768 -18.282 -8.291 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.185 -20.787 -7.059 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.269 -21.381 -7.890 1.00 25.00 C ATOM 1191 C ASP A 79 -10.626 -21.057 -7.265 1.00 25.00 C ATOM 1192 O ASP A 79 -11.607 -20.857 -7.954 1.00 25.00 O ATOM 1193 CB ASP A 79 -9.088 -22.898 -7.959 1.00 25.00 C ATOM 1194 CG ASP A 79 -10.094 -23.488 -8.949 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -9.841 -23.406 -10.140 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -11.101 -24.012 -8.499 1.00 50.00 O ATOM 0 H ASP A 79 -7.737 -21.429 -6.405 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.224 -20.965 -8.896 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.072 -23.140 -8.270 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.233 -23.337 -6.972 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.691 -21.007 -5.964 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.985 -20.701 -5.292 1.00 25.00 C ATOM 1203 C VAL A 80 -12.257 -19.197 -5.355 1.00 25.00 C ATOM 1204 O VAL A 80 -13.388 -18.761 -5.435 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.913 -21.140 -3.828 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -13.292 -20.983 -3.184 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -11.476 -22.604 -3.755 1.00 50.00 C ATOM 0 H VAL A 80 -9.903 -21.165 -5.336 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.789 -21.236 -5.798 1.00 25.00 H new ATOM 0 HB VAL A 80 -11.191 -20.521 -3.296 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -13.244 -21.295 -2.141 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -13.601 -19.939 -3.237 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -14.014 -21.603 -3.715 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -11.425 -22.917 -2.712 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -12.197 -23.226 -4.285 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -10.494 -22.714 -4.216 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.226 -18.400 -5.309 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.417 -16.923 -5.356 1.00 25.00 C ATOM 1219 C ALA A 81 -12.301 -16.544 -6.546 1.00 25.00 C ATOM 1220 O ALA A 81 -13.216 -15.755 -6.424 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.056 -16.240 -5.495 1.00 50.00 C ATOM 0 H ALA A 81 -10.256 -18.709 -5.241 1.00 25.00 H new ATOM 0 HA ALA A 81 -11.901 -16.597 -4.436 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.193 -15.159 -5.530 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.430 -16.499 -4.641 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.573 -16.574 -6.413 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.028 -17.090 -7.696 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.845 -16.749 -8.896 1.00 25.00 C ATOM 1229 C LYS A 82 -14.284 -17.216 -8.685 1.00 25.00 C ATOM 1230 O LYS A 82 -15.210 -16.699 -9.279 1.00 25.00 O ATOM 1231 CB LYS A 82 -12.260 -17.448 -10.125 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.816 -16.989 -10.335 1.00 25.00 C ATOM 1233 CD LYS A 82 -10.265 -17.611 -11.619 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.816 -17.164 -11.822 1.00 50.00 C ATOM 1235 NZ LYS A 82 -8.662 -16.582 -13.186 1.00 50.00 N ATOM 0 H LYS A 82 -11.275 -17.758 -7.859 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.832 -15.670 -9.048 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -12.293 -18.529 -9.992 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.858 -17.217 -11.007 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.774 -15.902 -10.398 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -10.202 -17.283 -9.483 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -10.316 -18.698 -11.560 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.873 -17.309 -12.472 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.543 -16.427 -11.067 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.142 -18.012 -11.698 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -7.677 -16.278 -13.325 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -8.907 -17.299 -13.899 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -9.295 -15.763 -13.287 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.478 -18.193 -7.848 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.854 -18.699 -7.599 1.00 25.00 C ATOM 1251 C ILE A 83 -16.682 -17.618 -6.906 1.00 25.00 C ATOM 1252 O ILE A 83 -17.798 -17.333 -7.290 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.776 -19.936 -6.707 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.793 -20.938 -7.317 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.162 -20.572 -6.597 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -14.935 -22.290 -6.614 1.00 50.00 C ATOM 0 H ILE A 83 -13.741 -18.665 -7.324 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.327 -18.958 -8.546 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.432 -19.651 -5.713 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.987 -21.049 -8.384 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.772 -20.569 -7.215 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.108 -21.455 -5.960 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.858 -19.854 -6.163 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.510 -20.861 -7.589 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.234 -23.002 -7.050 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.719 -22.172 -5.552 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -15.953 -22.660 -6.739 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.141 -17.016 -5.888 1.00 25.00 N ATOM 1269 CA PHE A 84 -16.891 -15.950 -5.164 1.00 25.00 C ATOM 1270 C PHE A 84 -16.579 -14.591 -5.793 1.00 25.00 C ATOM 1271 O PHE A 84 -15.419 -14.211 -5.791 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.473 -15.940 -3.692 1.00 50.00 C ATOM 1273 CG PHE A 84 -16.842 -17.258 -3.056 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -15.958 -18.342 -3.128 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.067 -17.398 -2.392 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.299 -19.565 -2.538 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.408 -18.620 -1.801 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.525 -19.703 -1.875 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.505 -13.952 -6.267 1.00 99.99 O ATOM 0 H PHE A 84 -15.210 -17.215 -5.523 1.00 25.00 H new ATOM 0 HA PHE A 84 -17.961 -16.146 -5.235 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.399 -15.772 -3.609 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -16.966 -15.121 -3.168 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.013 -18.234 -3.639 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.749 -16.562 -2.336 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.618 -20.401 -2.594 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.352 -18.727 -1.288 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.789 -20.646 -1.420 1.00 50.00 H new