USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 ASN : amide:sc= -0.531 X(o=-0.53,f=-0.81) USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 ASN : amide:sc= 0.425 K(o=1.4,f=-7.5!) USER MOD Set 2.2: A 19 SER OG : rot -79:sc= 0.977 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -3.99! C(o=-4!,f=-5.3!) USER MOD Single : A 16 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -62:sc= 0.378 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00242 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.01 K(o=-1,f=-6.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0708) USER MOD Single : A 46 SER OG : rot 13:sc= 1 USER MOD Single : A 49 THR OG1 : rot -64:sc= -0.188 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00613) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.566 2.988 -1.437 1.00 0.00 N ATOM 152 CA GLY A 8 101.415 3.941 -1.456 1.00 0.00 C ATOM 153 C GLY A 8 101.501 4.866 -2.683 1.00 0.00 C ATOM 154 O GLY A 8 100.622 5.678 -2.906 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.477 3.387 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.414 4.537 -0.543 1.00 0.00 H new ATOM 158 N SER A 9 102.545 4.755 -3.479 1.00 0.00 N ATOM 159 CA SER A 9 102.662 5.620 -4.694 1.00 0.00 C ATOM 160 C SER A 9 101.947 4.963 -5.877 1.00 0.00 C ATOM 161 O SER A 9 101.914 3.751 -5.992 1.00 0.00 O ATOM 162 CB SER A 9 104.163 5.730 -4.968 1.00 0.00 C ATOM 163 OG SER A 9 104.377 6.633 -6.046 1.00 0.00 O ATOM 0 H SER A 9 103.317 4.103 -3.336 1.00 0.00 H new ATOM 0 HA SER A 9 102.206 6.599 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.683 6.080 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.573 4.750 -5.212 1.00 0.00 H new ATOM 0 HG SER A 9 105.338 6.708 -6.224 1.00 0.00 H new ATOM 169 N ASN A 10 101.375 5.753 -6.752 1.00 0.00 N ATOM 170 CA ASN A 10 100.686 5.180 -7.948 1.00 0.00 C ATOM 171 C ASN A 10 101.661 5.086 -9.121 1.00 0.00 C ATOM 172 O ASN A 10 102.135 6.087 -9.629 1.00 0.00 O ATOM 173 CB ASN A 10 99.557 6.162 -8.270 1.00 0.00 C ATOM 174 CG ASN A 10 98.479 6.079 -7.189 1.00 0.00 C ATOM 175 OD1 ASN A 10 97.456 5.453 -7.382 1.00 0.00 O ATOM 176 ND2 ASN A 10 98.665 6.688 -6.051 1.00 0.00 N ATOM 0 H ASN A 10 101.356 6.771 -6.689 1.00 0.00 H new ATOM 0 HA ASN A 10 100.309 4.174 -7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.950 7.177 -8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.127 5.930 -9.245 1.00 0.00 H new ATOM 0 HD21 ASN A 10 97.952 6.639 -5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 10 99.524 7.214 -5.888 1.00 0.00 H new ATOM 183 N VAL A 11 101.962 3.887 -9.551 1.00 0.00 N ATOM 184 CA VAL A 11 102.876 3.703 -10.721 1.00 0.00 C ATOM 185 C VAL A 11 102.212 2.795 -11.758 1.00 0.00 C ATOM 186 O VAL A 11 101.320 2.030 -11.436 1.00 0.00 O ATOM 187 CB VAL A 11 104.151 3.049 -10.158 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.821 3.999 -9.164 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.808 1.733 -9.444 1.00 0.00 C ATOM 0 H VAL A 11 101.612 3.022 -9.140 1.00 0.00 H new ATOM 0 HA VAL A 11 103.105 4.647 -11.216 1.00 0.00 H new ATOM 0 HB VAL A 11 104.829 2.840 -10.986 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.723 3.533 -8.767 1.00 0.00 H new ATOM 0 HG12 VAL A 11 105.084 4.928 -9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.134 4.214 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.720 1.283 -9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.120 1.933 -8.623 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.340 1.047 -10.150 1.00 0.00 H new ATOM 199 N GLU A 12 102.636 2.870 -12.997 1.00 0.00 N ATOM 200 CA GLU A 12 102.138 1.906 -14.020 1.00 0.00 C ATOM 201 C GLU A 12 103.313 1.094 -14.572 1.00 0.00 C ATOM 202 O GLU A 12 104.416 1.589 -14.690 1.00 0.00 O ATOM 203 CB GLU A 12 101.506 2.778 -15.112 1.00 0.00 C ATOM 204 CG GLU A 12 100.959 1.896 -16.243 1.00 0.00 C ATOM 205 CD GLU A 12 100.334 2.779 -17.326 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.626 3.708 -16.972 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.573 2.511 -18.491 1.00 0.00 O ATOM 0 H GLU A 12 103.306 3.558 -13.341 1.00 0.00 H new ATOM 0 HA GLU A 12 101.419 1.192 -13.617 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.702 3.379 -14.688 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.247 3.472 -15.508 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.762 1.294 -16.669 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.215 1.203 -15.850 1.00 0.00 H new ATOM 214 N VAL A 13 103.081 -0.150 -14.902 1.00 0.00 N ATOM 215 CA VAL A 13 104.167 -0.990 -15.486 1.00 0.00 C ATOM 216 C VAL A 13 103.619 -1.798 -16.663 1.00 0.00 C ATOM 217 O VAL A 13 102.490 -2.254 -16.632 1.00 0.00 O ATOM 218 CB VAL A 13 104.621 -1.913 -14.340 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.501 -2.886 -13.950 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.842 -2.716 -14.788 1.00 0.00 C ATOM 0 H VAL A 13 102.183 -0.621 -14.792 1.00 0.00 H new ATOM 0 HA VAL A 13 104.997 -0.397 -15.870 1.00 0.00 H new ATOM 0 HB VAL A 13 104.870 -1.296 -13.477 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.843 -3.529 -13.139 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.627 -2.323 -13.623 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.236 -3.499 -14.811 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.165 -3.370 -13.978 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.582 -3.318 -15.659 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.651 -2.033 -15.047 1.00 0.00 H new ATOM 230 N LEU A 14 104.400 -1.979 -17.698 1.00 0.00 N ATOM 231 CA LEU A 14 103.988 -2.947 -18.760 1.00 0.00 C ATOM 232 C LEU A 14 104.636 -4.297 -18.493 1.00 0.00 C ATOM 233 O LEU A 14 105.809 -4.377 -18.170 1.00 0.00 O ATOM 234 CB LEU A 14 104.478 -2.410 -20.114 1.00 0.00 C ATOM 235 CG LEU A 14 104.106 -0.930 -20.358 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.923 -0.724 -21.865 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.808 -0.534 -19.635 1.00 0.00 C ATOM 0 H LEU A 14 105.291 -1.507 -17.853 1.00 0.00 H new ATOM 0 HA LEU A 14 102.904 -3.063 -18.765 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.561 -2.519 -20.169 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.056 -3.020 -20.913 1.00 0.00 H new ATOM 0 HG LEU A 14 104.906 -0.304 -19.964 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.660 0.315 -22.061 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.852 -0.966 -22.381 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.127 -1.374 -22.227 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.586 0.514 -19.835 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.987 -1.154 -19.995 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.930 -0.681 -18.562 1.00 0.00 H new ATOM 249 N LEU A 15 103.887 -5.355 -18.626 1.00 0.00 N ATOM 250 CA LEU A 15 104.481 -6.713 -18.455 1.00 0.00 C ATOM 251 C LEU A 15 105.137 -7.166 -19.765 1.00 0.00 C ATOM 252 O LEU A 15 105.085 -6.477 -20.767 1.00 0.00 O ATOM 253 CB LEU A 15 103.313 -7.632 -18.087 1.00 0.00 C ATOM 254 CG LEU A 15 102.740 -7.221 -16.728 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.414 -7.948 -16.493 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.727 -7.598 -15.622 1.00 0.00 C ATOM 0 H LEU A 15 102.891 -5.340 -18.845 1.00 0.00 H new ATOM 0 HA LEU A 15 105.254 -6.728 -17.687 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.538 -7.575 -18.851 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.650 -8.668 -18.052 1.00 0.00 H new ATOM 0 HG LEU A 15 102.573 -6.144 -16.716 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.005 -7.656 -15.526 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.709 -7.682 -17.280 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.582 -9.025 -16.506 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.319 -7.305 -14.655 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.894 -8.675 -15.635 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.673 -7.083 -15.787 1.00 0.00 H new ATOM 268 N ASN A 16 105.751 -8.324 -19.754 1.00 0.00 N ATOM 269 CA ASN A 16 106.479 -8.829 -20.974 1.00 0.00 C ATOM 270 C ASN A 16 105.541 -8.931 -22.189 1.00 0.00 C ATOM 271 O ASN A 16 105.989 -8.930 -23.321 1.00 0.00 O ATOM 272 CB ASN A 16 107.016 -10.218 -20.587 1.00 0.00 C ATOM 273 CG ASN A 16 105.864 -11.145 -20.179 1.00 0.00 C ATOM 274 OD1 ASN A 16 104.967 -11.398 -20.958 1.00 0.00 O ATOM 275 ND2 ASN A 16 105.853 -11.664 -18.981 1.00 0.00 N ATOM 0 H ASN A 16 105.783 -8.950 -18.949 1.00 0.00 H new ATOM 0 HA ASN A 16 107.278 -8.147 -21.265 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.559 -10.651 -21.427 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.724 -10.124 -19.764 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.091 -12.282 -18.700 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.606 -11.452 -18.326 1.00 0.00 H new ATOM 282 N ASN A 17 104.254 -9.018 -21.962 1.00 0.00 N ATOM 283 CA ASN A 17 103.298 -9.209 -23.097 1.00 0.00 C ATOM 284 C ASN A 17 102.657 -7.872 -23.515 1.00 0.00 C ATOM 285 O ASN A 17 101.577 -7.855 -24.074 1.00 0.00 O ATOM 286 CB ASN A 17 102.236 -10.191 -22.571 1.00 0.00 C ATOM 287 CG ASN A 17 101.478 -9.595 -21.374 1.00 0.00 C ATOM 288 OD1 ASN A 17 101.925 -8.645 -20.761 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.340 -10.123 -21.014 1.00 0.00 N ATOM 0 H ASN A 17 103.823 -8.965 -21.039 1.00 0.00 H new ATOM 0 HA ASN A 17 103.799 -9.592 -23.986 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.532 -10.432 -23.368 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.714 -11.125 -22.275 1.00 0.00 H new ATOM 0 HD21 ASN A 17 99.828 -9.739 -20.220 1.00 0.00 H new ATOM 0 HD22 ASN A 17 99.963 -10.920 -21.527 1.00 0.00 H new ATOM 296 N ASP A 18 103.311 -6.751 -23.245 1.00 0.00 N ATOM 297 CA ASP A 18 102.790 -5.417 -23.705 1.00 0.00 C ATOM 298 C ASP A 18 101.378 -5.167 -23.158 1.00 0.00 C ATOM 299 O ASP A 18 100.604 -4.427 -23.740 1.00 0.00 O ATOM 300 CB ASP A 18 102.775 -5.468 -25.242 1.00 0.00 C ATOM 301 CG ASP A 18 104.204 -5.624 -25.764 1.00 0.00 C ATOM 302 OD1 ASP A 18 104.636 -6.754 -25.924 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.844 -4.610 -25.997 1.00 0.00 O ATOM 0 H ASP A 18 104.186 -6.709 -22.723 1.00 0.00 H new ATOM 0 HA ASP A 18 103.417 -4.603 -23.342 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.160 -6.301 -25.582 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.328 -4.558 -25.642 1.00 0.00 H new ATOM 308 N SER A 19 101.037 -5.780 -22.046 1.00 0.00 N ATOM 309 CA SER A 19 99.768 -5.427 -21.349 1.00 0.00 C ATOM 310 C SER A 19 100.079 -4.446 -20.222 1.00 0.00 C ATOM 311 O SER A 19 101.005 -4.648 -19.456 1.00 0.00 O ATOM 312 CB SER A 19 99.234 -6.748 -20.790 1.00 0.00 C ATOM 313 OG SER A 19 100.090 -7.200 -19.749 1.00 0.00 O ATOM 0 H SER A 19 101.588 -6.510 -21.595 1.00 0.00 H new ATOM 0 HA SER A 19 99.038 -4.955 -22.006 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.221 -6.612 -20.410 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.180 -7.495 -21.582 1.00 0.00 H new ATOM 0 HG SER A 19 100.884 -7.622 -20.139 1.00 0.00 H new ATOM 319 N LYS A 20 99.319 -3.388 -20.111 1.00 0.00 N ATOM 320 CA LYS A 20 99.699 -2.290 -19.171 1.00 0.00 C ATOM 321 C LYS A 20 98.742 -2.255 -17.975 1.00 0.00 C ATOM 322 O LYS A 20 97.545 -2.422 -18.122 1.00 0.00 O ATOM 323 CB LYS A 20 99.572 -0.983 -19.977 1.00 0.00 C ATOM 324 CG LYS A 20 100.185 -1.137 -21.378 1.00 0.00 C ATOM 325 CD LYS A 20 100.259 0.233 -22.057 1.00 0.00 C ATOM 326 CE LYS A 20 100.772 0.066 -23.490 1.00 0.00 C ATOM 327 NZ LYS A 20 100.169 1.198 -24.248 1.00 0.00 N ATOM 0 H LYS A 20 98.453 -3.236 -20.629 1.00 0.00 H new ATOM 0 HA LYS A 20 100.707 -2.433 -18.782 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.521 -0.706 -20.064 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.072 -0.174 -19.445 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.182 -1.572 -21.305 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.582 -1.819 -21.977 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.274 0.701 -22.064 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.921 0.893 -21.497 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.861 0.102 -23.526 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.470 -0.894 -23.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.474 1.152 -25.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.132 1.134 -24.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.479 2.099 -23.831 1.00 0.00 H new ATOM 341 N ALA A 21 99.270 -2.039 -16.794 1.00 0.00 N ATOM 342 CA ALA A 21 98.400 -1.909 -15.585 1.00 0.00 C ATOM 343 C ALA A 21 98.959 -0.832 -14.650 1.00 0.00 C ATOM 344 O ALA A 21 100.159 -0.654 -14.546 1.00 0.00 O ATOM 345 CB ALA A 21 98.448 -3.281 -14.912 1.00 0.00 C ATOM 0 H ALA A 21 100.270 -1.947 -16.616 1.00 0.00 H new ATOM 0 HA ALA A 21 97.381 -1.616 -15.837 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.832 -3.267 -14.013 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.069 -4.037 -15.600 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.477 -3.518 -14.643 1.00 0.00 H new ATOM 351 N ARG A 22 98.096 -0.115 -13.967 1.00 0.00 N ATOM 352 CA ARG A 22 98.568 0.963 -13.043 1.00 0.00 C ATOM 353 C ARG A 22 97.757 0.947 -11.744 1.00 0.00 C ATOM 354 O ARG A 22 96.586 0.617 -11.743 1.00 0.00 O ATOM 355 CB ARG A 22 98.359 2.283 -13.805 1.00 0.00 C ATOM 356 CG ARG A 22 96.876 2.470 -14.160 1.00 0.00 C ATOM 357 CD ARG A 22 96.727 3.649 -15.128 1.00 0.00 C ATOM 358 NE ARG A 22 95.250 3.827 -15.313 1.00 0.00 N ATOM 359 CZ ARG A 22 94.763 4.522 -16.324 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.547 5.098 -17.207 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.470 4.644 -16.447 1.00 0.00 N ATOM 0 H ARG A 22 97.084 -0.232 -14.011 1.00 0.00 H new ATOM 0 HA ARG A 22 99.612 0.828 -12.761 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.702 3.120 -13.196 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.960 2.284 -14.715 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.482 1.561 -14.614 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.295 2.652 -13.256 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.184 4.551 -14.722 1.00 0.00 H new ATOM 0 HD3 ARG A 22 97.220 3.442 -16.078 1.00 0.00 H new ATOM 0 HE ARG A 22 94.608 3.402 -14.644 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.560 5.014 -17.121 1.00 0.00 H new ATOM 0 HH12 ARG A 22 95.143 5.629 -17.978 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.849 4.205 -15.767 1.00 0.00 H new ATOM 0 HH22 ARG A 22 93.080 5.178 -17.223 1.00 0.00 H new ATOM 375 N GLY A 23 98.377 1.302 -10.645 1.00 0.00 N ATOM 376 CA GLY A 23 97.650 1.320 -9.341 1.00 0.00 C ATOM 377 C GLY A 23 98.611 1.740 -8.227 1.00 0.00 C ATOM 378 O GLY A 23 99.735 2.129 -8.487 1.00 0.00 O ATOM 0 H GLY A 23 99.357 1.580 -10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.809 2.012 -9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.239 0.333 -9.128 1.00 0.00 H new ATOM 382 N VAL A 24 98.178 1.665 -6.991 1.00 0.00 N ATOM 383 CA VAL A 24 99.045 2.115 -5.856 1.00 0.00 C ATOM 384 C VAL A 24 99.932 0.954 -5.391 1.00 0.00 C ATOM 385 O VAL A 24 99.514 -0.187 -5.378 1.00 0.00 O ATOM 386 CB VAL A 24 98.079 2.544 -4.736 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.876 3.055 -3.531 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.163 3.669 -5.233 1.00 0.00 C ATOM 0 H VAL A 24 97.261 1.311 -6.719 1.00 0.00 H new ATOM 0 HA VAL A 24 99.705 2.934 -6.143 1.00 0.00 H new ATOM 0 HB VAL A 24 97.478 1.682 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.188 3.357 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.526 2.262 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.482 3.910 -3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.484 3.965 -4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.768 4.525 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.586 3.317 -6.088 1.00 0.00 H new ATOM 398 N ILE A 25 101.151 1.242 -5.012 1.00 0.00 N ATOM 399 CA ILE A 25 102.074 0.160 -4.531 1.00 0.00 C ATOM 400 C ILE A 25 101.770 -0.173 -3.064 1.00 0.00 C ATOM 401 O ILE A 25 101.508 0.707 -2.264 1.00 0.00 O ATOM 402 CB ILE A 25 103.491 0.746 -4.683 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.775 1.020 -6.164 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.541 -0.234 -4.142 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.032 1.884 -6.294 1.00 0.00 C ATOM 0 H ILE A 25 101.551 2.180 -5.014 1.00 0.00 H new ATOM 0 HA ILE A 25 101.962 -0.767 -5.094 1.00 0.00 H new ATOM 0 HB ILE A 25 103.546 1.674 -4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.911 0.080 -6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.924 1.526 -6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.535 0.197 -4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.350 -0.426 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.485 -1.170 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.233 2.078 -7.348 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.879 2.829 -5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.880 1.361 -5.853 1.00 0.00 H new ATOM 417 N THR A 26 101.802 -1.438 -2.710 1.00 0.00 N ATOM 418 CA THR A 26 101.540 -1.831 -1.289 1.00 0.00 C ATOM 419 C THR A 26 102.687 -2.674 -0.717 1.00 0.00 C ATOM 420 O THR A 26 103.019 -2.549 0.449 1.00 0.00 O ATOM 421 CB THR A 26 100.247 -2.648 -1.329 1.00 0.00 C ATOM 422 OG1 THR A 26 100.379 -3.699 -2.275 1.00 0.00 O ATOM 423 CG2 THR A 26 99.078 -1.744 -1.724 1.00 0.00 C ATOM 0 H THR A 26 101.998 -2.213 -3.344 1.00 0.00 H new ATOM 0 HA THR A 26 101.457 -0.955 -0.646 1.00 0.00 H new ATOM 0 HB THR A 26 100.056 -3.071 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.524 -3.320 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.159 -2.329 -1.752 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.976 -0.942 -0.993 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.265 -1.316 -2.709 1.00 0.00 H new ATOM 431 N ASN A 27 103.300 -3.530 -1.510 1.00 0.00 N ATOM 432 CA ASN A 27 104.307 -4.478 -0.937 1.00 0.00 C ATOM 433 C ASN A 27 105.525 -4.608 -1.855 1.00 0.00 C ATOM 434 O ASN A 27 105.414 -4.545 -3.064 1.00 0.00 O ATOM 435 CB ASN A 27 103.575 -5.816 -0.836 1.00 0.00 C ATOM 436 CG ASN A 27 104.406 -6.793 -0.002 1.00 0.00 C ATOM 437 OD1 ASN A 27 105.093 -7.638 -0.540 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.373 -6.711 1.300 1.00 0.00 N ATOM 0 H ASN A 27 103.147 -3.610 -2.515 1.00 0.00 H new ATOM 0 HA ASN A 27 104.681 -4.134 0.027 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.596 -5.673 -0.379 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.405 -6.225 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.924 -7.356 1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.796 -6.001 1.752 1.00 0.00 H new ATOM 445 N PHE A 28 106.687 -4.784 -1.275 1.00 0.00 N ATOM 446 CA PHE A 28 107.910 -5.080 -2.079 1.00 0.00 C ATOM 447 C PHE A 28 108.863 -5.954 -1.261 1.00 0.00 C ATOM 448 O PHE A 28 109.205 -5.627 -0.139 1.00 0.00 O ATOM 449 CB PHE A 28 108.538 -3.717 -2.370 1.00 0.00 C ATOM 450 CG PHE A 28 109.645 -3.772 -3.395 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.346 -4.091 -4.742 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.981 -3.503 -3.010 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.384 -4.142 -5.704 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.019 -3.553 -3.972 1.00 0.00 C ATOM 455 CZ PHE A 28 111.720 -3.873 -5.320 1.00 0.00 C ATOM 0 H PHE A 28 106.840 -4.734 -0.268 1.00 0.00 H new ATOM 0 HA PHE A 28 107.686 -5.620 -2.999 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.763 -3.036 -2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.932 -3.302 -1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.327 -4.295 -5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.208 -3.260 -1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.156 -4.386 -6.731 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.038 -3.347 -3.679 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.511 -3.912 -6.054 1.00 0.00 H new ATOM 465 N ASP A 29 109.292 -7.061 -1.815 1.00 0.00 N ATOM 466 CA ASP A 29 110.153 -8.011 -1.047 1.00 0.00 C ATOM 467 C ASP A 29 111.480 -8.225 -1.776 1.00 0.00 C ATOM 468 O ASP A 29 111.505 -8.643 -2.918 1.00 0.00 O ATOM 469 CB ASP A 29 109.354 -9.315 -0.995 1.00 0.00 C ATOM 470 CG ASP A 29 110.002 -10.275 0.006 1.00 0.00 C ATOM 471 OD1 ASP A 29 111.215 -10.402 -0.024 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.274 -10.865 0.787 1.00 0.00 O ATOM 0 H ASP A 29 109.081 -7.348 -2.771 1.00 0.00 H new ATOM 0 HA ASP A 29 110.393 -7.640 -0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.324 -9.111 -0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.321 -9.773 -1.984 1.00 0.00 H new ATOM 477 N SER A 30 112.579 -7.939 -1.121 1.00 0.00 N ATOM 478 CA SER A 30 113.919 -8.099 -1.772 1.00 0.00 C ATOM 479 C SER A 30 114.239 -9.582 -2.001 1.00 0.00 C ATOM 480 O SER A 30 114.939 -9.932 -2.933 1.00 0.00 O ATOM 481 CB SER A 30 114.922 -7.483 -0.795 1.00 0.00 C ATOM 482 OG SER A 30 114.541 -6.143 -0.512 1.00 0.00 O ATOM 0 H SER A 30 112.606 -7.600 -0.159 1.00 0.00 H new ATOM 0 HA SER A 30 113.951 -7.616 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.955 -8.066 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 30 115.924 -7.505 -1.223 1.00 0.00 H new ATOM 0 HG SER A 30 115.181 -5.746 0.115 1.00 0.00 H new ATOM 488 N SER A 31 113.729 -10.453 -1.159 1.00 0.00 N ATOM 489 CA SER A 31 114.088 -11.909 -1.257 1.00 0.00 C ATOM 490 C SER A 31 113.679 -12.484 -2.619 1.00 0.00 C ATOM 491 O SER A 31 114.454 -13.161 -3.271 1.00 0.00 O ATOM 492 CB SER A 31 113.307 -12.596 -0.135 1.00 0.00 C ATOM 493 OG SER A 31 113.609 -11.965 1.102 1.00 0.00 O ATOM 0 H SER A 31 113.080 -10.219 -0.408 1.00 0.00 H new ATOM 0 HA SER A 31 115.163 -12.062 -1.162 1.00 0.00 H new ATOM 0 HB2 SER A 31 112.237 -12.539 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.567 -13.654 -0.090 1.00 0.00 H new ATOM 0 HG SER A 31 113.109 -12.402 1.823 1.00 0.00 H new ATOM 499 N ASN A 32 112.469 -12.220 -3.049 1.00 0.00 N ATOM 500 CA ASN A 32 112.005 -12.740 -4.376 1.00 0.00 C ATOM 501 C ASN A 32 111.523 -11.597 -5.285 1.00 0.00 C ATOM 502 O ASN A 32 110.960 -11.839 -6.336 1.00 0.00 O ATOM 503 CB ASN A 32 110.843 -13.680 -4.045 1.00 0.00 C ATOM 504 CG ASN A 32 111.364 -14.896 -3.271 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.461 -15.361 -3.513 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.620 -15.432 -2.344 1.00 0.00 N ATOM 0 H ASN A 32 111.781 -11.666 -2.539 1.00 0.00 H new ATOM 0 HA ASN A 32 112.809 -13.242 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.095 -13.154 -3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.353 -14.004 -4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.958 -16.241 -1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.700 -15.043 -2.140 1.00 0.00 H new ATOM 513 N SER A 33 111.739 -10.354 -4.893 1.00 0.00 N ATOM 514 CA SER A 33 111.265 -9.181 -5.711 1.00 0.00 C ATOM 515 C SER A 33 109.777 -9.330 -6.074 1.00 0.00 C ATOM 516 O SER A 33 109.420 -9.498 -7.228 1.00 0.00 O ATOM 517 CB SER A 33 112.142 -9.178 -6.969 1.00 0.00 C ATOM 518 OG SER A 33 113.498 -9.406 -6.603 1.00 0.00 O ATOM 0 H SER A 33 112.228 -10.102 -4.034 1.00 0.00 H new ATOM 0 HA SER A 33 111.351 -8.244 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.806 -9.950 -7.661 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.050 -8.224 -7.487 1.00 0.00 H new ATOM 0 HG SER A 33 114.058 -9.406 -7.407 1.00 0.00 H new ATOM 524 N ILE A 34 108.912 -9.267 -5.091 1.00 0.00 N ATOM 525 CA ILE A 34 107.446 -9.423 -5.357 1.00 0.00 C ATOM 526 C ILE A 34 106.726 -8.101 -5.065 1.00 0.00 C ATOM 527 O ILE A 34 106.953 -7.475 -4.047 1.00 0.00 O ATOM 528 CB ILE A 34 106.964 -10.529 -4.401 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.802 -11.816 -4.589 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.484 -10.837 -4.667 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.672 -12.367 -6.021 1.00 0.00 C ATOM 0 H ILE A 34 109.158 -9.114 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 34 107.240 -9.683 -6.395 1.00 0.00 H new ATOM 0 HB ILE A 34 107.086 -10.178 -3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.849 -11.605 -4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.475 -12.572 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.148 -11.620 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.890 -9.937 -4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.362 -11.172 -5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.273 -13.271 -6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.628 -12.601 -6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.023 -11.619 -6.732 1.00 0.00 H new ATOM 543 N LEU A 35 105.860 -7.678 -5.955 1.00 0.00 N ATOM 544 CA LEU A 35 105.211 -6.339 -5.809 1.00 0.00 C ATOM 545 C LEU A 35 103.687 -6.479 -5.847 1.00 0.00 C ATOM 546 O LEU A 35 103.129 -7.012 -6.788 1.00 0.00 O ATOM 547 CB LEU A 35 105.708 -5.538 -7.015 1.00 0.00 C ATOM 548 CG LEU A 35 105.232 -4.088 -6.913 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.191 -3.295 -6.024 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.199 -3.467 -8.310 1.00 0.00 C ATOM 0 H LEU A 35 105.574 -8.206 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 35 105.457 -5.857 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.797 -5.570 -7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.338 -5.987 -7.937 1.00 0.00 H new ATOM 0 HG LEU A 35 104.233 -4.063 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.851 -2.262 -5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.216 -3.739 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.191 -3.318 -6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.860 -2.433 -8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.199 -3.493 -8.743 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.515 -4.032 -8.943 1.00 0.00 H new ATOM 562 N GLN A 36 103.019 -6.003 -4.826 1.00 0.00 N ATOM 563 CA GLN A 36 101.530 -5.969 -4.849 1.00 0.00 C ATOM 564 C GLN A 36 101.050 -4.555 -5.176 1.00 0.00 C ATOM 565 O GLN A 36 101.464 -3.594 -4.552 1.00 0.00 O ATOM 566 CB GLN A 36 101.096 -6.372 -3.440 1.00 0.00 C ATOM 567 CG GLN A 36 101.376 -7.861 -3.225 1.00 0.00 C ATOM 568 CD GLN A 36 101.032 -8.245 -1.784 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.236 -7.472 -0.869 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.516 -9.419 -1.542 1.00 0.00 N ATOM 0 H GLN A 36 103.446 -5.636 -3.975 1.00 0.00 H new ATOM 0 HA GLN A 36 101.111 -6.635 -5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.633 -5.780 -2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.034 -6.167 -3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.786 -8.457 -3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.425 -8.077 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.344 -10.069 -2.309 1.00 0.00 H new ATOM 0 HE22 GLN A 36 100.284 -9.687 -0.585 1.00 0.00 H new ATOM 579 N LEU A 37 100.184 -4.425 -6.151 1.00 0.00 N ATOM 580 CA LEU A 37 99.623 -3.083 -6.490 1.00 0.00 C ATOM 581 C LEU A 37 98.142 -3.028 -6.117 1.00 0.00 C ATOM 582 O LEU A 37 97.341 -3.797 -6.616 1.00 0.00 O ATOM 583 CB LEU A 37 99.797 -2.942 -8.005 1.00 0.00 C ATOM 584 CG LEU A 37 101.285 -2.878 -8.357 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.465 -3.124 -9.856 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.837 -1.493 -8.002 1.00 0.00 C ATOM 0 H LEU A 37 99.841 -5.194 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 37 100.123 -2.279 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.331 -3.786 -8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.293 -2.041 -8.355 1.00 0.00 H new ATOM 0 HG LEU A 37 101.823 -3.640 -7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.525 -3.079 -10.108 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.073 -4.108 -10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.926 -2.361 -10.417 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.897 -1.448 -8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.298 -0.731 -8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.709 -1.313 -6.935 1.00 0.00 H new ATOM 598 N ARG A 38 97.776 -2.124 -5.244 1.00 0.00 N ATOM 599 CA ARG A 38 96.336 -1.975 -4.870 1.00 0.00 C ATOM 600 C ARG A 38 95.708 -0.828 -5.666 1.00 0.00 C ATOM 601 O ARG A 38 96.203 0.283 -5.665 1.00 0.00 O ATOM 602 CB ARG A 38 96.341 -1.660 -3.372 1.00 0.00 C ATOM 603 CG ARG A 38 94.904 -1.643 -2.843 1.00 0.00 C ATOM 604 CD ARG A 38 94.910 -1.257 -1.361 1.00 0.00 C ATOM 605 NE ARG A 38 93.487 -1.392 -0.910 1.00 0.00 N ATOM 606 CZ ARG A 38 93.063 -0.832 0.208 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.869 -0.140 0.981 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.813 -0.973 0.556 1.00 0.00 N ATOM 0 H ARG A 38 98.413 -1.481 -4.773 1.00 0.00 H new ATOM 0 HA ARG A 38 95.754 -2.870 -5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.927 -2.406 -2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.815 -0.695 -3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.304 -0.933 -3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.446 -2.624 -2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.568 -1.910 -0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.272 -0.238 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 38 92.832 -1.928 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.849 -0.025 0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.515 0.282 1.839 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.177 -1.510 -0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.472 -0.546 1.417 1.00 0.00 H new ATOM 622 N LEU A 39 94.620 -1.094 -6.345 1.00 0.00 N ATOM 623 CA LEU A 39 94.008 -0.062 -7.232 1.00 0.00 C ATOM 624 C LEU A 39 92.786 0.578 -6.562 1.00 0.00 C ATOM 625 O LEU A 39 92.071 -0.060 -5.809 1.00 0.00 O ATOM 626 CB LEU A 39 93.606 -0.825 -8.498 1.00 0.00 C ATOM 627 CG LEU A 39 93.226 0.151 -9.621 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.409 1.065 -9.956 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.859 -0.650 -10.869 1.00 0.00 C ATOM 0 H LEU A 39 94.128 -1.987 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 39 94.695 0.756 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.430 -1.459 -8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.765 -1.483 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 39 92.384 0.760 -9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.124 1.751 -10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.691 1.635 -9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.255 0.460 -10.282 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.587 0.034 -11.673 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.713 -1.253 -11.178 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.015 -1.303 -10.647 1.00 0.00 H new ATOM 641 N ALA A 40 92.549 1.840 -6.843 1.00 0.00 N ATOM 642 CA ALA A 40 91.454 2.594 -6.144 1.00 0.00 C ATOM 643 C ALA A 40 90.066 2.017 -6.466 1.00 0.00 C ATOM 644 O ALA A 40 89.083 2.404 -5.859 1.00 0.00 O ATOM 645 CB ALA A 40 91.561 4.031 -6.662 1.00 0.00 C ATOM 0 H ALA A 40 93.070 2.384 -7.531 1.00 0.00 H new ATOM 0 HA ALA A 40 91.565 2.529 -5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.791 4.644 -6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.544 4.434 -6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.425 4.039 -7.743 1.00 0.00 H new ATOM 651 N ASN A 41 89.967 1.103 -7.406 1.00 0.00 N ATOM 652 CA ASN A 41 88.648 0.453 -7.697 1.00 0.00 C ATOM 653 C ASN A 41 88.413 -0.759 -6.773 1.00 0.00 C ATOM 654 O ASN A 41 87.751 -1.707 -7.155 1.00 0.00 O ATOM 655 CB ASN A 41 88.746 -0.005 -9.154 1.00 0.00 C ATOM 656 CG ASN A 41 87.368 -0.453 -9.644 1.00 0.00 C ATOM 657 OD1 ASN A 41 87.116 -1.633 -9.790 1.00 0.00 O ATOM 658 ND2 ASN A 41 86.458 0.446 -9.906 1.00 0.00 N ATOM 0 H ASN A 41 90.743 0.780 -7.983 1.00 0.00 H new ATOM 0 HA ASN A 41 87.816 1.138 -7.530 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.118 0.808 -9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.459 -0.825 -9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 41 85.536 0.158 -10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 41 86.669 1.436 -9.784 1.00 0.00 H new ATOM 665 N ASP A 42 88.948 -0.745 -5.560 1.00 0.00 N ATOM 666 CA ASP A 42 88.707 -1.872 -4.591 1.00 0.00 C ATOM 667 C ASP A 42 89.254 -3.190 -5.151 1.00 0.00 C ATOM 668 O ASP A 42 88.761 -4.256 -4.826 1.00 0.00 O ATOM 669 CB ASP A 42 87.184 -1.957 -4.410 1.00 0.00 C ATOM 670 CG ASP A 42 86.862 -2.705 -3.114 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.509 -2.428 -2.116 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.975 -3.542 -3.141 1.00 0.00 O ATOM 0 H ASP A 42 89.542 0.003 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 42 89.213 -1.694 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.755 -0.956 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.735 -2.471 -5.260 1.00 0.00 H new ATOM 677 N SER A 43 90.268 -3.132 -5.991 1.00 0.00 N ATOM 678 CA SER A 43 90.870 -4.389 -6.533 1.00 0.00 C ATOM 679 C SER A 43 92.357 -4.454 -6.176 1.00 0.00 C ATOM 680 O SER A 43 93.060 -3.464 -6.240 1.00 0.00 O ATOM 681 CB SER A 43 90.683 -4.297 -8.048 1.00 0.00 C ATOM 682 OG SER A 43 89.295 -4.241 -8.347 1.00 0.00 O ATOM 0 H SER A 43 90.700 -2.269 -6.321 1.00 0.00 H new ATOM 0 HA SER A 43 90.404 -5.284 -6.121 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.186 -3.411 -8.435 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.137 -5.160 -8.535 1.00 0.00 H new ATOM 0 HG SER A 43 89.172 -4.180 -9.317 1.00 0.00 H new ATOM 688 N THR A 44 92.836 -5.616 -5.801 1.00 0.00 N ATOM 689 CA THR A 44 94.280 -5.758 -5.430 1.00 0.00 C ATOM 690 C THR A 44 94.889 -6.980 -6.130 1.00 0.00 C ATOM 691 O THR A 44 94.237 -7.994 -6.300 1.00 0.00 O ATOM 692 CB THR A 44 94.291 -5.930 -3.901 1.00 0.00 C ATOM 693 OG1 THR A 44 95.633 -6.052 -3.452 1.00 0.00 O ATOM 694 CG2 THR A 44 93.498 -7.179 -3.492 1.00 0.00 C ATOM 0 H THR A 44 92.288 -6.474 -5.736 1.00 0.00 H new ATOM 0 HA THR A 44 94.873 -4.897 -5.737 1.00 0.00 H new ATOM 0 HB THR A 44 93.824 -5.057 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.644 -6.160 -2.478 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.518 -7.283 -2.407 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.466 -7.081 -3.829 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.947 -8.061 -3.949 1.00 0.00 H new ATOM 702 N LYS A 45 96.133 -6.883 -6.532 1.00 0.00 N ATOM 703 CA LYS A 45 96.789 -8.026 -7.236 1.00 0.00 C ATOM 704 C LYS A 45 98.264 -8.122 -6.843 1.00 0.00 C ATOM 705 O LYS A 45 98.935 -7.120 -6.673 1.00 0.00 O ATOM 706 CB LYS A 45 96.652 -7.707 -8.725 1.00 0.00 C ATOM 707 CG LYS A 45 95.222 -8.005 -9.179 1.00 0.00 C ATOM 708 CD LYS A 45 95.092 -7.725 -10.678 1.00 0.00 C ATOM 709 CE LYS A 45 95.734 -8.867 -11.469 1.00 0.00 C ATOM 710 NZ LYS A 45 94.681 -9.918 -11.547 1.00 0.00 N ATOM 0 H LYS A 45 96.722 -6.060 -6.402 1.00 0.00 H new ATOM 0 HA LYS A 45 96.332 -8.981 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 45 96.892 -6.660 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.360 -8.302 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 45 94.972 -9.045 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.516 -7.389 -8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 45 94.041 -7.626 -10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.576 -6.780 -10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 45 96.038 -8.538 -12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.628 -9.240 -10.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 95.126 -10.858 -11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 94.032 -9.820 -10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.149 -9.811 -12.434 1.00 0.00 H new ATOM 724 N SER A 46 98.768 -9.323 -6.695 1.00 0.00 N ATOM 725 CA SER A 46 100.216 -9.505 -6.375 1.00 0.00 C ATOM 726 C SER A 46 100.963 -10.013 -7.610 1.00 0.00 C ATOM 727 O SER A 46 100.648 -11.060 -8.145 1.00 0.00 O ATOM 728 CB SER A 46 100.246 -10.549 -5.259 1.00 0.00 C ATOM 729 OG SER A 46 99.804 -11.798 -5.774 1.00 0.00 O ATOM 0 H SER A 46 98.235 -10.188 -6.783 1.00 0.00 H new ATOM 0 HA SER A 46 100.696 -8.575 -6.072 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.256 -10.644 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.606 -10.235 -4.434 1.00 0.00 H new ATOM 0 HG SER A 46 99.783 -11.759 -6.753 1.00 0.00 H new ATOM 735 N ILE A 47 101.950 -9.279 -8.063 1.00 0.00 N ATOM 736 CA ILE A 47 102.703 -9.694 -9.288 1.00 0.00 C ATOM 737 C ILE A 47 104.206 -9.660 -9.000 1.00 0.00 C ATOM 738 O ILE A 47 104.720 -8.692 -8.470 1.00 0.00 O ATOM 739 CB ILE A 47 102.328 -8.663 -10.369 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.812 -8.684 -10.608 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.043 -9.005 -11.681 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.410 -7.473 -11.454 1.00 0.00 C ATOM 0 H ILE A 47 102.267 -8.409 -7.636 1.00 0.00 H new ATOM 0 HA ILE A 47 102.457 -10.707 -9.607 1.00 0.00 H new ATOM 0 HB ILE A 47 102.632 -7.672 -10.030 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.526 -9.606 -11.115 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.283 -8.667 -9.655 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.775 -8.273 -12.443 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.121 -8.986 -11.523 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.742 -9.999 -12.011 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.333 -7.489 -11.623 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.682 -6.557 -10.930 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.928 -7.510 -12.412 1.00 0.00 H new ATOM 754 N VAL A 48 104.910 -10.709 -9.345 1.00 0.00 N ATOM 755 CA VAL A 48 106.390 -10.725 -9.123 1.00 0.00 C ATOM 756 C VAL A 48 107.062 -9.783 -10.127 1.00 0.00 C ATOM 757 O VAL A 48 106.714 -9.756 -11.289 1.00 0.00 O ATOM 758 CB VAL A 48 106.844 -12.180 -9.344 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.336 -12.311 -9.009 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.024 -13.136 -8.457 1.00 0.00 C ATOM 0 H VAL A 48 104.526 -11.553 -9.770 1.00 0.00 H new ATOM 0 HA VAL A 48 106.660 -10.388 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 48 106.682 -12.446 -10.389 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.655 -13.341 -9.166 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.913 -11.650 -9.655 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.501 -12.035 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.355 -14.161 -8.623 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.168 -12.874 -7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.967 -13.051 -8.710 1.00 0.00 H new ATOM 770 N THR A 49 108.023 -9.014 -9.682 1.00 0.00 N ATOM 771 CA THR A 49 108.618 -7.949 -10.555 1.00 0.00 C ATOM 772 C THR A 49 109.269 -8.550 -11.806 1.00 0.00 C ATOM 773 O THR A 49 109.406 -7.886 -12.815 1.00 0.00 O ATOM 774 CB THR A 49 109.669 -7.240 -9.694 1.00 0.00 C ATOM 775 OG1 THR A 49 110.627 -8.188 -9.247 1.00 0.00 O ATOM 776 CG2 THR A 49 108.995 -6.581 -8.488 1.00 0.00 C ATOM 0 H THR A 49 108.425 -9.076 -8.747 1.00 0.00 H new ATOM 0 HA THR A 49 107.850 -7.261 -10.908 1.00 0.00 H new ATOM 0 HB THR A 49 110.165 -6.472 -10.288 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.190 -8.847 -8.668 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.748 -6.079 -7.880 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.262 -5.852 -8.834 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.494 -7.342 -7.890 1.00 0.00 H new ATOM 784 N LYS A 50 109.673 -9.797 -11.749 1.00 0.00 N ATOM 785 CA LYS A 50 110.402 -10.412 -12.909 1.00 0.00 C ATOM 786 C LYS A 50 109.560 -10.337 -14.189 1.00 0.00 C ATOM 787 O LYS A 50 110.091 -10.352 -15.285 1.00 0.00 O ATOM 788 CB LYS A 50 110.649 -11.870 -12.514 1.00 0.00 C ATOM 789 CG LYS A 50 111.609 -11.927 -11.324 1.00 0.00 C ATOM 790 CD LYS A 50 113.040 -11.690 -11.810 1.00 0.00 C ATOM 791 CE LYS A 50 113.619 -12.999 -12.350 1.00 0.00 C ATOM 792 NZ LYS A 50 115.096 -12.848 -12.225 1.00 0.00 N ATOM 0 H LYS A 50 109.531 -10.416 -10.951 1.00 0.00 H new ATOM 0 HA LYS A 50 111.333 -9.885 -13.118 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.706 -12.352 -12.256 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.067 -12.419 -13.357 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.335 -11.173 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.537 -12.897 -10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 50 113.049 -10.927 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 50 113.656 -11.318 -10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.260 -13.855 -11.778 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.325 -13.162 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 115.564 -13.708 -12.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 115.410 -12.030 -12.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 115.347 -12.701 -11.226 1.00 0.00 H new ATOM 806 N ASP A 51 108.256 -10.258 -14.060 1.00 0.00 N ATOM 807 CA ASP A 51 107.396 -10.091 -15.275 1.00 0.00 C ATOM 808 C ASP A 51 107.229 -8.604 -15.643 1.00 0.00 C ATOM 809 O ASP A 51 106.432 -8.267 -16.501 1.00 0.00 O ATOM 810 CB ASP A 51 106.041 -10.737 -14.931 1.00 0.00 C ATOM 811 CG ASP A 51 105.396 -10.064 -13.711 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.332 -8.847 -13.685 1.00 0.00 O ATOM 813 OD2 ASP A 51 104.971 -10.786 -12.823 1.00 0.00 O ATOM 0 H ASP A 51 107.754 -10.302 -13.173 1.00 0.00 H new ATOM 0 HA ASP A 51 107.849 -10.566 -16.145 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.371 -10.661 -15.788 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.182 -11.799 -14.731 1.00 0.00 H new ATOM 818 N ILE A 52 107.965 -7.713 -15.008 1.00 0.00 N ATOM 819 CA ILE A 52 107.919 -6.271 -15.418 1.00 0.00 C ATOM 820 C ILE A 52 108.760 -6.064 -16.681 1.00 0.00 C ATOM 821 O ILE A 52 109.971 -6.196 -16.659 1.00 0.00 O ATOM 822 CB ILE A 52 108.509 -5.478 -14.235 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.598 -5.642 -13.005 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.624 -3.987 -14.605 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.238 -4.965 -11.785 1.00 0.00 C ATOM 0 H ILE A 52 108.590 -7.923 -14.230 1.00 0.00 H new ATOM 0 HA ILE A 52 106.905 -5.942 -15.646 1.00 0.00 H new ATOM 0 HB ILE A 52 109.503 -5.861 -14.005 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.621 -5.202 -13.205 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.436 -6.700 -12.801 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.042 -3.434 -13.763 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.276 -3.876 -15.471 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.636 -3.594 -14.842 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.587 -5.086 -10.919 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.205 -5.425 -11.579 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.377 -3.903 -11.989 1.00 0.00 H new ATOM 837 N LYS A 53 108.122 -5.740 -17.778 1.00 0.00 N ATOM 838 CA LYS A 53 108.887 -5.340 -19.001 1.00 0.00 C ATOM 839 C LYS A 53 109.297 -3.868 -18.906 1.00 0.00 C ATOM 840 O LYS A 53 110.393 -3.498 -19.287 1.00 0.00 O ATOM 841 CB LYS A 53 107.928 -5.553 -20.174 1.00 0.00 C ATOM 842 CG LYS A 53 108.663 -5.313 -21.497 1.00 0.00 C ATOM 843 CD LYS A 53 109.643 -6.460 -21.757 1.00 0.00 C ATOM 844 CE LYS A 53 110.295 -6.275 -23.129 1.00 0.00 C ATOM 845 NZ LYS A 53 111.430 -5.340 -22.892 1.00 0.00 N ATOM 0 H LYS A 53 107.107 -5.735 -17.880 1.00 0.00 H new ATOM 0 HA LYS A 53 109.801 -5.923 -19.119 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.528 -6.567 -20.149 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.080 -4.873 -20.090 1.00 0.00 H new ATOM 0 HG2 LYS A 53 107.946 -5.242 -22.315 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.199 -4.365 -21.460 1.00 0.00 H new ATOM 0 HD2 LYS A 53 110.407 -6.483 -20.980 1.00 0.00 H new ATOM 0 HD3 LYS A 53 109.120 -7.415 -21.717 1.00 0.00 H new ATOM 0 HE2 LYS A 53 110.644 -7.226 -23.532 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.588 -5.864 -23.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 111.958 -5.204 -23.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 111.063 -4.424 -22.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 112.063 -5.739 -22.169 1.00 0.00 H new ATOM 859 N ASP A 54 108.426 -3.029 -18.399 1.00 0.00 N ATOM 860 CA ASP A 54 108.712 -1.554 -18.402 1.00 0.00 C ATOM 861 C ASP A 54 107.990 -0.856 -17.247 1.00 0.00 C ATOM 862 O ASP A 54 106.888 -1.220 -16.888 1.00 0.00 O ATOM 863 CB ASP A 54 108.183 -1.040 -19.742 1.00 0.00 C ATOM 864 CG ASP A 54 109.073 -1.548 -20.879 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.280 -1.422 -20.760 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.530 -2.052 -21.849 1.00 0.00 O ATOM 0 H ASP A 54 107.533 -3.297 -17.985 1.00 0.00 H new ATOM 0 HA ASP A 54 109.776 -1.354 -18.276 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.157 -1.377 -19.892 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.164 0.050 -19.742 1.00 0.00 H new ATOM 871 N LEU A 55 108.607 0.150 -16.671 1.00 0.00 N ATOM 872 CA LEU A 55 107.999 0.840 -15.489 1.00 0.00 C ATOM 873 C LEU A 55 107.867 2.346 -15.744 1.00 0.00 C ATOM 874 O LEU A 55 108.708 2.951 -16.383 1.00 0.00 O ATOM 875 CB LEU A 55 108.979 0.596 -14.339 1.00 0.00 C ATOM 876 CG LEU A 55 108.868 -0.850 -13.856 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.200 -1.292 -13.245 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.767 -0.953 -12.796 1.00 0.00 C ATOM 0 H LEU A 55 109.508 0.523 -16.970 1.00 0.00 H new ATOM 0 HA LEU A 55 106.999 0.463 -15.276 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.998 0.801 -14.669 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.766 1.280 -13.517 1.00 0.00 H new ATOM 0 HG LEU A 55 108.624 -1.493 -14.701 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.118 -2.323 -12.901 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.986 -1.221 -13.996 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.445 -0.647 -12.401 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.688 -1.984 -12.452 1.00 0.00 H new ATOM 0 HD22 LEU A 55 108.012 -0.307 -11.953 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.816 -0.641 -13.228 1.00 0.00 H new ATOM 890 N ARG A 56 106.814 2.948 -15.247 1.00 0.00 N ATOM 891 CA ARG A 56 106.715 4.439 -15.259 1.00 0.00 C ATOM 892 C ARG A 56 105.991 4.922 -13.992 1.00 0.00 C ATOM 893 O ARG A 56 105.243 4.180 -13.381 1.00 0.00 O ATOM 894 CB ARG A 56 105.918 4.785 -16.531 1.00 0.00 C ATOM 895 CG ARG A 56 104.439 4.391 -16.372 1.00 0.00 C ATOM 896 CD ARG A 56 103.845 4.011 -17.732 1.00 0.00 C ATOM 897 NE ARG A 56 103.935 5.250 -18.574 1.00 0.00 N ATOM 898 CZ ARG A 56 103.827 5.199 -19.888 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.630 4.065 -20.520 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.917 6.304 -20.577 1.00 0.00 N ATOM 0 H ARG A 56 106.016 2.467 -14.832 1.00 0.00 H new ATOM 0 HA ARG A 56 107.691 4.925 -15.266 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.995 5.853 -16.735 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.348 4.265 -17.388 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.350 3.553 -15.681 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.878 5.220 -15.941 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.398 3.188 -18.185 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.811 3.681 -17.630 1.00 0.00 H new ATOM 0 HE ARG A 56 104.083 6.152 -18.120 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.557 3.194 -19.994 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.550 4.055 -21.537 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.069 7.192 -20.099 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.835 6.279 -21.593 1.00 0.00 H new ATOM 914 N ILE A 57 106.211 6.151 -13.598 1.00 0.00 N ATOM 915 CA ILE A 57 105.478 6.709 -12.417 1.00 0.00 C ATOM 916 C ILE A 57 104.569 7.854 -12.875 1.00 0.00 C ATOM 917 O ILE A 57 104.999 8.754 -13.572 1.00 0.00 O ATOM 918 CB ILE A 57 106.563 7.218 -11.454 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.503 6.065 -11.070 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.903 7.768 -10.184 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.719 6.616 -10.317 1.00 0.00 C ATOM 0 H ILE A 57 106.867 6.794 -14.042 1.00 0.00 H new ATOM 0 HA ILE A 57 104.845 5.966 -11.932 1.00 0.00 H new ATOM 0 HB ILE A 57 107.134 8.005 -11.946 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.974 5.344 -10.447 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.828 5.535 -11.965 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.672 8.129 -9.501 1.00 0.00 H new ATOM 0 HG22 ILE A 57 105.237 8.590 -10.447 1.00 0.00 H new ATOM 0 HG23 ILE A 57 105.330 6.977 -9.700 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.383 5.795 -10.047 1.00 0.00 H new ATOM 0 HD12 ILE A 57 109.254 7.320 -10.955 1.00 0.00 H new ATOM 0 HD13 ILE A 57 108.387 7.126 -9.413 1.00 0.00 H new ATOM 933 N LEU A 58 103.316 7.822 -12.488 1.00 0.00 N ATOM 934 CA LEU A 58 102.350 8.858 -12.975 1.00 0.00 C ATOM 935 C LEU A 58 102.485 10.138 -12.127 1.00 0.00 C ATOM 936 O LEU A 58 102.301 10.086 -10.926 1.00 0.00 O ATOM 937 CB LEU A 58 100.954 8.243 -12.792 1.00 0.00 C ATOM 938 CG LEU A 58 100.838 6.938 -13.590 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.592 6.172 -13.139 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.730 7.247 -15.085 1.00 0.00 C ATOM 0 H LEU A 58 102.921 7.125 -11.857 1.00 0.00 H new ATOM 0 HA LEU A 58 102.534 9.131 -14.014 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.771 8.048 -11.735 1.00 0.00 H new ATOM 0 HB3 LEU A 58 100.192 8.949 -13.123 1.00 0.00 H new ATOM 0 HG LEU A 58 101.726 6.332 -13.412 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.510 5.245 -13.706 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.671 5.942 -12.077 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.706 6.783 -13.313 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.648 6.315 -15.644 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.846 7.858 -15.267 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.619 7.788 -15.410 1.00 0.00 H new