USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=14 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 33 SER OG : rot 84:sc= 0.237 USER MOD Set 1.2: A 49 THR OG1 : rot 120:sc= -0.358 USER MOD Set 2.1: A 17 ASN : amide:sc= -0.99 K(o=0.11,f=-4.3!) USER MOD Set 2.2: A 19 SER OG : rot -93:sc= 1.1 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.12 K(o=-1.1,f=-5.8!) USER MOD Single : A 16 ASN : amide:sc= -1.23 K(o=-1.2,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0728) USER MOD Single : A 26 THR OG1 : rot -57:sc= 0.206 USER MOD Single : A 27 ASN : amide:sc=-0.00832 X(o=-0.0083,f=-0.0083) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 43 SER OG : rot 68:sc= 0.146 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.138) USER MOD Single : A 46 SER OG : rot 6:sc= 0.925 USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0511) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 0.553 (180deg=0.419) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 103.208 2.456 -1.519 1.00 0.00 N ATOM 152 CA GLY A 8 101.996 3.325 -1.397 1.00 0.00 C ATOM 153 C GLY A 8 101.954 4.365 -2.530 1.00 0.00 C ATOM 154 O GLY A 8 101.048 5.177 -2.587 1.00 0.00 O ATOM 0 HA2 GLY A 8 101.097 2.710 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 8 102.002 3.832 -0.432 1.00 0.00 H new ATOM 158 N SER A 9 102.917 4.355 -3.427 1.00 0.00 N ATOM 159 CA SER A 9 102.881 5.302 -4.585 1.00 0.00 C ATOM 160 C SER A 9 102.079 4.691 -5.737 1.00 0.00 C ATOM 161 O SER A 9 102.056 3.486 -5.914 1.00 0.00 O ATOM 162 CB SER A 9 104.342 5.498 -4.992 1.00 0.00 C ATOM 163 OG SER A 9 104.414 6.473 -6.024 1.00 0.00 O ATOM 0 H SER A 9 103.724 3.731 -3.404 1.00 0.00 H new ATOM 0 HA SER A 9 102.404 6.248 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.932 5.817 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.765 4.555 -5.337 1.00 0.00 H new ATOM 0 HG SER A 9 105.349 6.603 -6.287 1.00 0.00 H new ATOM 169 N ASN A 10 101.422 5.512 -6.520 1.00 0.00 N ATOM 170 CA ASN A 10 100.652 4.987 -7.690 1.00 0.00 C ATOM 171 C ASN A 10 101.523 5.021 -8.947 1.00 0.00 C ATOM 172 O ASN A 10 101.904 6.074 -9.424 1.00 0.00 O ATOM 173 CB ASN A 10 99.457 5.930 -7.839 1.00 0.00 C ATOM 174 CG ASN A 10 98.442 5.326 -8.814 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.812 4.669 -9.767 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.168 5.523 -8.614 1.00 0.00 N ATOM 0 H ASN A 10 101.386 6.524 -6.399 1.00 0.00 H new ATOM 0 HA ASN A 10 100.336 3.954 -7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.989 6.096 -6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.791 6.902 -8.202 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.483 5.126 -9.257 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.857 6.074 -7.814 1.00 0.00 H new ATOM 183 N VAL A 11 101.833 3.868 -9.482 1.00 0.00 N ATOM 184 CA VAL A 11 102.657 3.802 -10.728 1.00 0.00 C ATOM 185 C VAL A 11 101.999 2.847 -11.728 1.00 0.00 C ATOM 186 O VAL A 11 101.143 2.060 -11.367 1.00 0.00 O ATOM 187 CB VAL A 11 104.035 3.274 -10.291 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.692 4.278 -9.343 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.890 1.923 -9.574 1.00 0.00 C ATOM 0 H VAL A 11 101.549 2.963 -9.107 1.00 0.00 H new ATOM 0 HA VAL A 11 102.747 4.772 -11.216 1.00 0.00 H new ATOM 0 HB VAL A 11 104.654 3.141 -11.178 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.668 3.902 -9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.816 5.233 -9.853 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.062 4.415 -8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.874 1.564 -9.272 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.261 2.045 -8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.432 1.200 -10.249 1.00 0.00 H new ATOM 199 N GLU A 12 102.389 2.910 -12.978 1.00 0.00 N ATOM 200 CA GLU A 12 101.891 1.912 -13.969 1.00 0.00 C ATOM 201 C GLU A 12 103.072 1.119 -14.540 1.00 0.00 C ATOM 202 O GLU A 12 104.158 1.638 -14.700 1.00 0.00 O ATOM 203 CB GLU A 12 101.209 2.743 -15.063 1.00 0.00 C ATOM 204 CG GLU A 12 100.610 1.816 -16.129 1.00 0.00 C ATOM 205 CD GLU A 12 99.942 2.657 -17.218 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.000 3.365 -16.900 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.383 2.578 -18.353 1.00 0.00 O ATOM 0 H GLU A 12 103.030 3.610 -13.352 1.00 0.00 H new ATOM 0 HA GLU A 12 101.203 1.189 -13.530 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.426 3.362 -14.626 1.00 0.00 H new ATOM 0 HB3 GLU A 12 101.931 3.419 -15.521 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.391 1.192 -16.564 1.00 0.00 H new ATOM 0 HG3 GLU A 12 99.881 1.145 -15.675 1.00 0.00 H new ATOM 214 N VAL A 13 102.860 -0.136 -14.841 1.00 0.00 N ATOM 215 CA VAL A 13 103.961 -0.974 -15.403 1.00 0.00 C ATOM 216 C VAL A 13 103.458 -1.735 -16.632 1.00 0.00 C ATOM 217 O VAL A 13 102.324 -2.176 -16.669 1.00 0.00 O ATOM 218 CB VAL A 13 104.347 -1.948 -14.271 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.193 -2.915 -13.967 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.577 -2.757 -14.691 1.00 0.00 C ATOM 0 H VAL A 13 101.969 -0.618 -14.721 1.00 0.00 H new ATOM 0 HA VAL A 13 104.816 -0.379 -15.725 1.00 0.00 H new ATOM 0 HB VAL A 13 104.566 -1.366 -13.376 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.488 -3.593 -13.166 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.315 -2.348 -13.658 1.00 0.00 H new ATOM 0 HG13 VAL A 13 102.956 -3.492 -14.861 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.850 -3.445 -13.891 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.349 -3.322 -15.595 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.408 -2.080 -14.887 1.00 0.00 H new ATOM 230 N LEU A 14 104.286 -1.890 -17.634 1.00 0.00 N ATOM 231 CA LEU A 14 103.951 -2.875 -18.703 1.00 0.00 C ATOM 232 C LEU A 14 104.604 -4.209 -18.381 1.00 0.00 C ATOM 233 O LEU A 14 105.755 -4.264 -17.988 1.00 0.00 O ATOM 234 CB LEU A 14 104.519 -2.344 -20.027 1.00 0.00 C ATOM 235 CG LEU A 14 104.019 -0.923 -20.365 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.965 -0.780 -21.886 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.615 -0.672 -19.806 1.00 0.00 C ATOM 0 H LEU A 14 105.164 -1.386 -17.757 1.00 0.00 H new ATOM 0 HA LEU A 14 102.872 -3.010 -18.773 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.608 -2.338 -19.974 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.243 -3.023 -20.834 1.00 0.00 H new ATOM 0 HG LEU A 14 104.702 -0.201 -19.918 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.614 0.219 -22.145 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.961 -0.933 -22.301 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.282 -1.523 -22.297 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.296 0.338 -20.063 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.919 -1.393 -20.235 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.630 -0.782 -18.722 1.00 0.00 H new ATOM 249 N LEU A 15 103.881 -5.281 -18.539 1.00 0.00 N ATOM 250 CA LEU A 15 104.500 -6.623 -18.352 1.00 0.00 C ATOM 251 C LEU A 15 105.158 -7.079 -19.656 1.00 0.00 C ATOM 252 O LEU A 15 105.040 -6.430 -20.679 1.00 0.00 O ATOM 253 CB LEU A 15 103.351 -7.560 -17.964 1.00 0.00 C ATOM 254 CG LEU A 15 102.764 -7.132 -16.617 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.462 -7.892 -16.362 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.762 -7.448 -15.500 1.00 0.00 C ATOM 0 H LEU A 15 102.892 -5.287 -18.789 1.00 0.00 H new ATOM 0 HA LEU A 15 105.276 -6.614 -17.587 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.577 -7.538 -18.731 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.712 -8.587 -17.904 1.00 0.00 H new ATOM 0 HG LEU A 15 102.564 -6.061 -16.635 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.044 -7.587 -15.403 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.749 -7.669 -17.156 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.663 -8.963 -16.346 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.343 -7.143 -14.541 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.963 -8.519 -15.484 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.691 -6.907 -15.679 1.00 0.00 H new ATOM 268 N ASN A 16 105.851 -8.191 -19.622 1.00 0.00 N ATOM 269 CA ASN A 16 106.601 -8.672 -20.836 1.00 0.00 C ATOM 270 C ASN A 16 105.662 -8.869 -22.039 1.00 0.00 C ATOM 271 O ASN A 16 106.099 -8.877 -23.175 1.00 0.00 O ATOM 272 CB ASN A 16 107.241 -10.010 -20.423 1.00 0.00 C ATOM 273 CG ASN A 16 106.162 -11.007 -19.979 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.267 -11.330 -20.735 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.212 -11.508 -18.774 1.00 0.00 N ATOM 0 H ASN A 16 105.933 -8.793 -18.803 1.00 0.00 H new ATOM 0 HA ASN A 16 107.347 -7.942 -21.151 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.805 -10.424 -21.259 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.949 -9.846 -19.611 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.500 -12.171 -18.467 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.963 -11.237 -18.140 1.00 0.00 H new ATOM 282 N ASN A 17 104.383 -9.025 -21.796 1.00 0.00 N ATOM 283 CA ASN A 17 103.426 -9.279 -22.919 1.00 0.00 C ATOM 284 C ASN A 17 102.743 -7.974 -23.369 1.00 0.00 C ATOM 285 O ASN A 17 101.651 -7.999 -23.907 1.00 0.00 O ATOM 286 CB ASN A 17 102.399 -10.281 -22.363 1.00 0.00 C ATOM 287 CG ASN A 17 101.647 -9.680 -21.169 1.00 0.00 C ATOM 288 OD1 ASN A 17 100.980 -8.676 -21.303 1.00 0.00 O ATOM 289 ND2 ASN A 17 101.731 -10.260 -20.003 1.00 0.00 N ATOM 0 H ASN A 17 103.960 -8.987 -20.868 1.00 0.00 H new ATOM 0 HA ASN A 17 103.933 -9.672 -23.800 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.691 -10.555 -23.145 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.905 -11.196 -22.057 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.235 -9.869 -19.202 1.00 0.00 H new ATOM 0 HD22 ASN A 17 102.293 -11.104 -19.893 1.00 0.00 H new ATOM 296 N ASP A 18 103.376 -6.832 -23.152 1.00 0.00 N ATOM 297 CA ASP A 18 102.865 -5.534 -23.718 1.00 0.00 C ATOM 298 C ASP A 18 101.450 -5.231 -23.207 1.00 0.00 C ATOM 299 O ASP A 18 100.683 -4.550 -23.863 1.00 0.00 O ATOM 300 CB ASP A 18 102.859 -5.702 -25.246 1.00 0.00 C ATOM 301 CG ASP A 18 104.290 -5.919 -25.746 1.00 0.00 C ATOM 302 OD1 ASP A 18 104.704 -7.064 -25.815 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.946 -4.937 -26.050 1.00 0.00 O ATOM 0 H ASP A 18 104.231 -6.747 -22.602 1.00 0.00 H new ATOM 0 HA ASP A 18 103.497 -4.700 -23.411 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.233 -6.549 -25.526 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.429 -4.818 -25.717 1.00 0.00 H new ATOM 308 N SER A 19 101.097 -5.734 -22.045 1.00 0.00 N ATOM 309 CA SER A 19 99.836 -5.284 -21.384 1.00 0.00 C ATOM 310 C SER A 19 100.175 -4.295 -20.270 1.00 0.00 C ATOM 311 O SER A 19 101.157 -4.460 -19.568 1.00 0.00 O ATOM 312 CB SER A 19 99.202 -6.552 -20.810 1.00 0.00 C ATOM 313 OG SER A 19 99.970 -7.007 -19.702 1.00 0.00 O ATOM 0 H SER A 19 101.629 -6.435 -21.530 1.00 0.00 H new ATOM 0 HA SER A 19 99.157 -4.781 -22.073 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.178 -6.350 -20.497 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.155 -7.326 -21.576 1.00 0.00 H new ATOM 0 HG SER A 19 100.628 -7.666 -20.008 1.00 0.00 H new ATOM 319 N LYS A 20 99.376 -3.272 -20.100 1.00 0.00 N ATOM 320 CA LYS A 20 99.709 -2.221 -19.092 1.00 0.00 C ATOM 321 C LYS A 20 98.744 -2.281 -17.901 1.00 0.00 C ATOM 322 O LYS A 20 97.554 -2.473 -18.063 1.00 0.00 O ATOM 323 CB LYS A 20 99.581 -0.880 -19.839 1.00 0.00 C ATOM 324 CG LYS A 20 98.140 -0.645 -20.312 1.00 0.00 C ATOM 325 CD LYS A 20 98.057 0.711 -21.010 1.00 0.00 C ATOM 326 CE LYS A 20 96.610 0.985 -21.421 1.00 0.00 C ATOM 327 NZ LYS A 20 95.956 1.520 -20.194 1.00 0.00 N ATOM 0 H LYS A 20 98.509 -3.120 -20.615 1.00 0.00 H new ATOM 0 HA LYS A 20 100.710 -2.358 -18.682 1.00 0.00 H new ATOM 0 HB2 LYS A 20 99.889 -0.065 -19.184 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.254 -0.872 -20.696 1.00 0.00 H new ATOM 0 HG2 LYS A 20 97.834 -1.438 -20.994 1.00 0.00 H new ATOM 0 HG3 LYS A 20 97.456 -0.673 -19.463 1.00 0.00 H new ATOM 0 HD2 LYS A 20 98.412 1.497 -20.344 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.704 0.721 -21.887 1.00 0.00 H new ATOM 0 HE2 LYS A 20 96.561 1.703 -22.239 1.00 0.00 H new ATOM 0 HE3 LYS A 20 96.118 0.075 -21.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.010 1.100 -20.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 96.531 1.280 -19.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 95.870 2.554 -20.269 1.00 0.00 H new ATOM 341 N ALA A 21 99.261 -2.116 -16.708 1.00 0.00 N ATOM 342 CA ALA A 21 98.383 -2.053 -15.500 1.00 0.00 C ATOM 343 C ALA A 21 98.925 -1.016 -14.513 1.00 0.00 C ATOM 344 O ALA A 21 100.116 -0.769 -14.461 1.00 0.00 O ATOM 345 CB ALA A 21 98.442 -3.455 -14.892 1.00 0.00 C ATOM 0 H ALA A 21 100.259 -2.022 -16.519 1.00 0.00 H new ATOM 0 HA ALA A 21 97.362 -1.760 -15.744 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.820 -3.490 -13.997 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.076 -4.182 -15.617 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.472 -3.694 -14.628 1.00 0.00 H new ATOM 351 N ARG A 22 98.063 -0.407 -13.732 1.00 0.00 N ATOM 352 CA ARG A 22 98.527 0.629 -12.758 1.00 0.00 C ATOM 353 C ARG A 22 97.817 0.457 -11.415 1.00 0.00 C ATOM 354 O ARG A 22 96.737 -0.100 -11.344 1.00 0.00 O ATOM 355 CB ARG A 22 98.177 1.984 -13.397 1.00 0.00 C ATOM 356 CG ARG A 22 96.664 2.090 -13.640 1.00 0.00 C ATOM 357 CD ARG A 22 96.368 3.344 -14.468 1.00 0.00 C ATOM 358 NE ARG A 22 94.872 3.434 -14.531 1.00 0.00 N ATOM 359 CZ ARG A 22 94.266 4.197 -15.421 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.942 4.917 -16.287 1.00 0.00 N ATOM 361 NH2 ARG A 22 92.961 4.240 -15.439 1.00 0.00 N ATOM 0 H ARG A 22 97.058 -0.584 -13.728 1.00 0.00 H new ATOM 0 HA ARG A 22 99.595 0.548 -12.557 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.504 2.795 -12.746 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.711 2.097 -14.340 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.305 1.203 -14.162 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.134 2.136 -12.689 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.796 4.232 -14.003 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.800 3.267 -15.466 1.00 0.00 H new ATOM 0 HE ARG A 22 94.311 2.894 -13.872 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.962 4.895 -16.283 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.447 5.498 -16.964 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.423 3.688 -14.771 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.479 4.825 -16.121 1.00 0.00 H new ATOM 375 N GLY A 23 98.423 0.930 -10.353 1.00 0.00 N ATOM 376 CA GLY A 23 97.761 0.867 -9.018 1.00 0.00 C ATOM 377 C GLY A 23 98.693 1.453 -7.957 1.00 0.00 C ATOM 378 O GLY A 23 99.796 1.875 -8.256 1.00 0.00 O ATOM 0 H GLY A 23 99.349 1.357 -10.356 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.823 1.422 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.515 -0.166 -8.771 1.00 0.00 H new ATOM 382 N VAL A 24 98.256 1.481 -6.723 1.00 0.00 N ATOM 383 CA VAL A 24 99.128 1.992 -5.620 1.00 0.00 C ATOM 384 C VAL A 24 99.881 0.819 -4.986 1.00 0.00 C ATOM 385 O VAL A 24 99.297 -0.199 -4.666 1.00 0.00 O ATOM 386 CB VAL A 24 98.176 2.644 -4.603 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.983 3.277 -3.464 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.349 3.738 -5.291 1.00 0.00 C ATOM 0 H VAL A 24 97.329 1.171 -6.430 1.00 0.00 H new ATOM 0 HA VAL A 24 99.871 2.707 -5.974 1.00 0.00 H new ATOM 0 HB VAL A 24 97.513 1.877 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.302 3.737 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.571 2.508 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.650 4.037 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.677 4.196 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 24 98.017 4.498 -5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.765 3.298 -6.100 1.00 0.00 H new ATOM 398 N ILE A 25 101.170 0.958 -4.802 1.00 0.00 N ATOM 399 CA ILE A 25 101.984 -0.176 -4.256 1.00 0.00 C ATOM 400 C ILE A 25 101.560 -0.489 -2.812 1.00 0.00 C ATOM 401 O ILE A 25 101.379 0.399 -2.000 1.00 0.00 O ATOM 402 CB ILE A 25 103.445 0.306 -4.324 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.887 0.356 -5.789 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.367 -0.648 -3.549 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.126 1.245 -5.924 1.00 0.00 C ATOM 0 H ILE A 25 101.696 1.808 -5.006 1.00 0.00 H new ATOM 0 HA ILE A 25 101.846 -1.098 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 25 103.511 1.297 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 25 104.108 -0.650 -6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 25 103.079 0.744 -6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.395 -0.290 -3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.057 -0.686 -2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.305 -1.646 -3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.438 1.278 -6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.889 2.253 -5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.934 0.837 -5.317 1.00 0.00 H new ATOM 417 N THR A 26 101.405 -1.754 -2.502 1.00 0.00 N ATOM 418 CA THR A 26 100.953 -2.156 -1.136 1.00 0.00 C ATOM 419 C THR A 26 101.928 -3.150 -0.485 1.00 0.00 C ATOM 420 O THR A 26 101.858 -3.377 0.708 1.00 0.00 O ATOM 421 CB THR A 26 99.586 -2.810 -1.347 1.00 0.00 C ATOM 422 OG1 THR A 26 99.695 -3.823 -2.337 1.00 0.00 O ATOM 423 CG2 THR A 26 98.574 -1.755 -1.799 1.00 0.00 C ATOM 0 H THR A 26 101.574 -2.529 -3.143 1.00 0.00 H new ATOM 0 HA THR A 26 100.907 -1.298 -0.466 1.00 0.00 H new ATOM 0 HB THR A 26 99.247 -3.253 -0.410 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.044 -3.434 -3.166 1.00 0.00 H new ATOM 0 HG21 THR A 26 97.602 -2.224 -1.948 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.490 -0.981 -1.036 1.00 0.00 H new ATOM 0 HG23 THR A 26 98.908 -1.307 -2.735 1.00 0.00 H new ATOM 431 N ASN A 27 102.830 -3.752 -1.239 1.00 0.00 N ATOM 432 CA ASN A 27 103.866 -4.623 -0.597 1.00 0.00 C ATOM 433 C ASN A 27 105.091 -4.779 -1.501 1.00 0.00 C ATOM 434 O ASN A 27 104.996 -4.705 -2.711 1.00 0.00 O ATOM 435 CB ASN A 27 103.174 -5.972 -0.394 1.00 0.00 C ATOM 436 CG ASN A 27 104.049 -6.870 0.484 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.670 -7.794 -0.001 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.123 -6.635 1.766 1.00 0.00 N ATOM 0 H ASN A 27 102.889 -3.677 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 27 104.229 -4.198 0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.200 -5.826 0.074 1.00 0.00 H new ATOM 0 HB3 ASN A 27 102.996 -6.450 -1.357 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.703 -7.228 2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.601 -5.859 2.173 1.00 0.00 H new ATOM 445 N PHE A 28 106.242 -4.991 -0.907 1.00 0.00 N ATOM 446 CA PHE A 28 107.477 -5.261 -1.702 1.00 0.00 C ATOM 447 C PHE A 28 108.410 -6.179 -0.908 1.00 0.00 C ATOM 448 O PHE A 28 108.647 -5.968 0.267 1.00 0.00 O ATOM 449 CB PHE A 28 108.121 -3.891 -1.917 1.00 0.00 C ATOM 450 CG PHE A 28 109.298 -3.923 -2.865 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.087 -4.159 -4.246 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.609 -3.715 -2.374 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.189 -4.187 -5.135 1.00 0.00 C ATOM 454 CE2 PHE A 28 111.711 -3.744 -3.263 1.00 0.00 C ATOM 455 CZ PHE A 28 111.501 -3.980 -4.644 1.00 0.00 C ATOM 0 H PHE A 28 106.377 -4.988 0.104 1.00 0.00 H new ATOM 0 HA PHE A 28 107.265 -5.757 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.371 -3.202 -2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.449 -3.497 -0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.086 -4.317 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 28 110.769 -3.534 -1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.029 -4.366 -6.188 1.00 0.00 H new ATOM 0 HE2 PHE A 28 112.711 -3.586 -2.888 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.341 -4.002 -5.322 1.00 0.00 H new ATOM 465 N ASP A 29 108.936 -7.193 -1.545 1.00 0.00 N ATOM 466 CA ASP A 29 109.803 -8.177 -0.827 1.00 0.00 C ATOM 467 C ASP A 29 111.184 -8.237 -1.487 1.00 0.00 C ATOM 468 O ASP A 29 111.305 -8.571 -2.650 1.00 0.00 O ATOM 469 CB ASP A 29 109.078 -9.517 -0.969 1.00 0.00 C ATOM 470 CG ASP A 29 109.758 -10.564 -0.086 1.00 0.00 C ATOM 471 OD1 ASP A 29 109.486 -10.575 1.103 1.00 0.00 O ATOM 472 OD2 ASP A 29 110.539 -11.337 -0.615 1.00 0.00 O ATOM 0 H ASP A 29 108.802 -7.383 -2.538 1.00 0.00 H new ATOM 0 HA ASP A 29 109.961 -7.910 0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.032 -9.408 -0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.091 -9.841 -2.010 1.00 0.00 H new ATOM 477 N SER A 30 112.217 -7.914 -0.749 1.00 0.00 N ATOM 478 CA SER A 30 113.597 -7.909 -1.333 1.00 0.00 C ATOM 479 C SER A 30 114.051 -9.336 -1.664 1.00 0.00 C ATOM 480 O SER A 30 114.808 -9.551 -2.593 1.00 0.00 O ATOM 481 CB SER A 30 114.495 -7.301 -0.253 1.00 0.00 C ATOM 482 OG SER A 30 115.803 -7.116 -0.780 1.00 0.00 O ATOM 0 H SER A 30 112.165 -7.653 0.236 1.00 0.00 H new ATOM 0 HA SER A 30 113.637 -7.342 -2.263 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.087 -6.347 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.530 -7.955 0.618 1.00 0.00 H new ATOM 0 HG SER A 30 116.381 -6.725 -0.092 1.00 0.00 H new ATOM 488 N SER A 31 113.596 -10.311 -0.909 1.00 0.00 N ATOM 489 CA SER A 31 114.081 -11.719 -1.109 1.00 0.00 C ATOM 490 C SER A 31 113.739 -12.220 -2.518 1.00 0.00 C ATOM 491 O SER A 31 114.583 -12.754 -3.214 1.00 0.00 O ATOM 492 CB SER A 31 113.352 -12.555 -0.055 1.00 0.00 C ATOM 493 OG SER A 31 114.033 -13.791 0.115 1.00 0.00 O ATOM 0 H SER A 31 112.910 -10.194 -0.163 1.00 0.00 H new ATOM 0 HA SER A 31 115.164 -11.787 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.312 -12.015 0.891 1.00 0.00 H new ATOM 0 HB3 SER A 31 112.322 -12.733 -0.364 1.00 0.00 H new ATOM 0 HG SER A 31 113.570 -14.329 0.791 1.00 0.00 H new ATOM 499 N ASN A 32 112.507 -12.053 -2.940 1.00 0.00 N ATOM 500 CA ASN A 32 112.100 -12.528 -4.301 1.00 0.00 C ATOM 501 C ASN A 32 111.505 -11.382 -5.137 1.00 0.00 C ATOM 502 O ASN A 32 110.879 -11.622 -6.151 1.00 0.00 O ATOM 503 CB ASN A 32 111.042 -13.602 -4.043 1.00 0.00 C ATOM 504 CG ASN A 32 111.689 -14.811 -3.364 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.813 -15.162 -3.661 1.00 0.00 O ATOM 506 ND2 ASN A 32 111.020 -15.468 -2.456 1.00 0.00 N ATOM 0 H ASN A 32 111.765 -11.608 -2.400 1.00 0.00 H new ATOM 0 HA ASN A 32 112.952 -12.908 -4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.248 -13.200 -3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.580 -13.905 -4.983 1.00 0.00 H new ATOM 0 HD21 ASN A 32 111.441 -16.275 -1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 32 110.076 -15.174 -2.206 1.00 0.00 H new ATOM 513 N SER A 33 111.698 -10.143 -4.720 1.00 0.00 N ATOM 514 CA SER A 33 111.162 -8.959 -5.480 1.00 0.00 C ATOM 515 C SER A 33 109.688 -9.162 -5.883 1.00 0.00 C ATOM 516 O SER A 33 109.360 -9.281 -7.051 1.00 0.00 O ATOM 517 CB SER A 33 112.070 -8.828 -6.711 1.00 0.00 C ATOM 518 OG SER A 33 111.733 -9.821 -7.671 1.00 0.00 O ATOM 0 H SER A 33 112.212 -9.902 -3.873 1.00 0.00 H new ATOM 0 HA SER A 33 111.172 -8.054 -4.873 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.962 -7.836 -7.149 1.00 0.00 H new ATOM 0 HB3 SER A 33 113.114 -8.935 -6.416 1.00 0.00 H new ATOM 0 HG SER A 33 110.984 -9.506 -8.219 1.00 0.00 H new ATOM 524 N ILE A 34 108.802 -9.197 -4.916 1.00 0.00 N ATOM 525 CA ILE A 34 107.350 -9.408 -5.222 1.00 0.00 C ATOM 526 C ILE A 34 106.562 -8.146 -4.856 1.00 0.00 C ATOM 527 O ILE A 34 106.704 -7.610 -3.774 1.00 0.00 O ATOM 528 CB ILE A 34 106.909 -10.599 -4.351 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.817 -11.825 -4.604 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.453 -10.963 -4.667 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.734 -12.291 -6.069 1.00 0.00 C ATOM 0 H ILE A 34 109.022 -9.088 -3.926 1.00 0.00 H new ATOM 0 HA ILE A 34 107.174 -9.608 -6.279 1.00 0.00 H new ATOM 0 HB ILE A 34 106.994 -10.311 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.849 -11.573 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.522 -12.641 -3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.146 -11.806 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.811 -10.107 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.366 -11.235 -5.719 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.384 -13.154 -6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.706 -12.567 -6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.053 -11.482 -6.727 1.00 0.00 H new ATOM 543 N LEU A 35 105.732 -7.673 -5.753 1.00 0.00 N ATOM 544 CA LEU A 35 105.039 -6.365 -5.536 1.00 0.00 C ATOM 545 C LEU A 35 103.523 -6.544 -5.624 1.00 0.00 C ATOM 546 O LEU A 35 103.001 -7.035 -6.608 1.00 0.00 O ATOM 547 CB LEU A 35 105.543 -5.474 -6.675 1.00 0.00 C ATOM 548 CG LEU A 35 105.021 -4.047 -6.494 1.00 0.00 C ATOM 549 CD1 LEU A 35 105.928 -3.288 -5.523 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.013 -3.337 -7.849 1.00 0.00 C ATOM 0 H LEU A 35 105.504 -8.139 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 35 105.246 -5.940 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.633 -5.472 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.211 -5.873 -7.634 1.00 0.00 H new ATOM 0 HG LEU A 35 104.009 -4.077 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.555 -2.272 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.935 -3.796 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.942 -3.255 -5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.642 -2.320 -7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.026 -3.307 -8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.365 -3.878 -8.539 1.00 0.00 H new ATOM 562 N GLN A 36 102.818 -6.147 -4.595 1.00 0.00 N ATOM 563 CA GLN A 36 101.329 -6.120 -4.664 1.00 0.00 C ATOM 564 C GLN A 36 100.859 -4.709 -5.011 1.00 0.00 C ATOM 565 O GLN A 36 101.232 -3.754 -4.359 1.00 0.00 O ATOM 566 CB GLN A 36 100.856 -6.515 -3.265 1.00 0.00 C ATOM 567 CG GLN A 36 101.148 -7.998 -3.028 1.00 0.00 C ATOM 568 CD GLN A 36 100.680 -8.394 -1.626 1.00 0.00 C ATOM 569 OE1 GLN A 36 99.656 -7.932 -1.160 1.00 0.00 O ATOM 570 NE2 GLN A 36 101.391 -9.237 -0.929 1.00 0.00 N ATOM 0 H GLN A 36 103.214 -5.839 -3.707 1.00 0.00 H new ATOM 0 HA GLN A 36 100.933 -6.792 -5.426 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.362 -5.909 -2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.788 -6.323 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.639 -8.604 -3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.216 -8.191 -3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 36 102.250 -9.625 -1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 36 101.088 -9.508 0.006 1.00 0.00 H new ATOM 579 N LEU A 37 100.047 -4.573 -6.031 1.00 0.00 N ATOM 580 CA LEU A 37 99.535 -3.222 -6.414 1.00 0.00 C ATOM 581 C LEU A 37 98.036 -3.126 -6.122 1.00 0.00 C ATOM 582 O LEU A 37 97.257 -3.949 -6.563 1.00 0.00 O ATOM 583 CB LEU A 37 99.793 -3.105 -7.918 1.00 0.00 C ATOM 584 CG LEU A 37 101.299 -3.065 -8.185 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.561 -3.347 -9.666 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.847 -1.679 -7.829 1.00 0.00 C ATOM 0 H LEU A 37 99.717 -5.341 -6.615 1.00 0.00 H new ATOM 0 HA LEU A 37 100.024 -2.424 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.344 -3.950 -8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.321 -2.203 -8.308 1.00 0.00 H new ATOM 0 HG LEU A 37 101.794 -3.820 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.634 -3.319 -9.858 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.172 -4.332 -9.923 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.064 -2.591 -10.274 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.920 -1.652 -8.020 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.351 -0.924 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.661 -1.474 -6.775 1.00 0.00 H new ATOM 598 N ARG A 38 97.633 -2.123 -5.382 1.00 0.00 N ATOM 599 CA ARG A 38 96.175 -1.926 -5.103 1.00 0.00 C ATOM 600 C ARG A 38 95.672 -0.659 -5.805 1.00 0.00 C ATOM 601 O ARG A 38 96.143 0.432 -5.544 1.00 0.00 O ATOM 602 CB ARG A 38 96.075 -1.781 -3.584 1.00 0.00 C ATOM 603 CG ARG A 38 94.603 -1.750 -3.165 1.00 0.00 C ATOM 604 CD ARG A 38 94.507 -1.561 -1.648 1.00 0.00 C ATOM 605 NE ARG A 38 93.047 -1.665 -1.335 1.00 0.00 N ATOM 606 CZ ARG A 38 92.426 -2.829 -1.309 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.055 -3.952 -1.572 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.154 -2.867 -1.019 1.00 0.00 N ATOM 0 H ARG A 38 98.251 -1.431 -4.958 1.00 0.00 H new ATOM 0 HA ARG A 38 95.567 -2.753 -5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.585 -2.611 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.574 -0.867 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.085 -0.939 -3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.111 -2.677 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.079 -2.323 -1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 38 94.907 -0.594 -1.345 1.00 0.00 H new ATOM 0 HE ARG A 38 92.519 -0.815 -1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.048 -3.938 -1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 38 92.550 -4.838 -1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 38 90.651 -2.003 -0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 38 90.663 -3.761 -0.996 1.00 0.00 H new ATOM 622 N LEU A 39 94.717 -0.805 -6.690 1.00 0.00 N ATOM 623 CA LEU A 39 94.261 0.354 -7.516 1.00 0.00 C ATOM 624 C LEU A 39 92.939 0.919 -6.971 1.00 0.00 C ATOM 625 O LEU A 39 92.195 0.239 -6.284 1.00 0.00 O ATOM 626 CB LEU A 39 94.088 -0.228 -8.926 1.00 0.00 C ATOM 627 CG LEU A 39 93.579 0.838 -9.911 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.603 1.968 -10.061 1.00 0.00 C ATOM 629 CD2 LEU A 39 93.364 0.183 -11.274 1.00 0.00 C ATOM 0 H LEU A 39 94.231 -1.683 -6.876 1.00 0.00 H new ATOM 0 HA LEU A 39 94.966 1.185 -7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 39 95.040 -0.626 -9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 39 93.387 -1.062 -8.894 1.00 0.00 H new ATOM 0 HG LEU A 39 92.647 1.256 -9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.224 2.712 -10.762 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.773 2.436 -9.091 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.542 1.561 -10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 39 93.003 0.928 -11.983 1.00 0.00 H new ATOM 0 HD22 LEU A 39 94.307 -0.231 -11.632 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.629 -0.616 -11.182 1.00 0.00 H new ATOM 641 N ALA A 40 92.650 2.162 -7.291 1.00 0.00 N ATOM 642 CA ALA A 40 91.484 2.872 -6.664 1.00 0.00 C ATOM 643 C ALA A 40 90.138 2.256 -7.086 1.00 0.00 C ATOM 644 O ALA A 40 89.097 2.666 -6.606 1.00 0.00 O ATOM 645 CB ALA A 40 91.579 4.317 -7.161 1.00 0.00 C ATOM 0 H ALA A 40 93.176 2.719 -7.965 1.00 0.00 H new ATOM 0 HA ALA A 40 91.523 2.796 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.758 4.900 -6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.528 4.749 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.519 4.332 -8.249 1.00 0.00 H new ATOM 651 N ASN A 41 90.141 1.284 -7.972 1.00 0.00 N ATOM 652 CA ASN A 41 88.871 0.560 -8.306 1.00 0.00 C ATOM 653 C ASN A 41 88.633 -0.606 -7.329 1.00 0.00 C ATOM 654 O ASN A 41 88.034 -1.600 -7.691 1.00 0.00 O ATOM 655 CB ASN A 41 89.081 0.025 -9.727 1.00 0.00 C ATOM 656 CG ASN A 41 89.175 1.194 -10.710 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.493 2.189 -10.559 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.997 1.116 -11.720 1.00 0.00 N ATOM 0 H ASN A 41 90.967 0.962 -8.477 1.00 0.00 H new ATOM 0 HA ASN A 41 88.002 1.214 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.991 -0.573 -9.770 1.00 0.00 H new ATOM 0 HB3 ASN A 41 88.256 -0.631 -10.005 1.00 0.00 H new ATOM 0 HD21 ASN A 41 90.067 1.889 -12.382 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.570 0.282 -11.848 1.00 0.00 H new ATOM 665 N ASP A 42 89.099 -0.498 -6.091 1.00 0.00 N ATOM 666 CA ASP A 42 88.851 -1.570 -5.064 1.00 0.00 C ATOM 667 C ASP A 42 89.398 -2.916 -5.557 1.00 0.00 C ATOM 668 O ASP A 42 88.885 -3.963 -5.203 1.00 0.00 O ATOM 669 CB ASP A 42 87.326 -1.642 -4.877 1.00 0.00 C ATOM 670 CG ASP A 42 86.810 -0.312 -4.320 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.460 0.236 -3.444 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.771 0.136 -4.779 1.00 0.00 O ATOM 0 H ASP A 42 89.644 0.295 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 42 89.353 -1.344 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.843 -1.860 -5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.071 -2.455 -4.197 1.00 0.00 H new ATOM 677 N SER A 43 90.435 -2.897 -6.370 1.00 0.00 N ATOM 678 CA SER A 43 91.033 -4.178 -6.855 1.00 0.00 C ATOM 679 C SER A 43 92.524 -4.228 -6.509 1.00 0.00 C ATOM 680 O SER A 43 93.234 -3.249 -6.649 1.00 0.00 O ATOM 681 CB SER A 43 90.831 -4.162 -8.370 1.00 0.00 C ATOM 682 OG SER A 43 89.444 -4.272 -8.659 1.00 0.00 O ATOM 0 H SER A 43 90.888 -2.050 -6.714 1.00 0.00 H new ATOM 0 HA SER A 43 90.571 -5.051 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.230 -3.240 -8.792 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.377 -4.986 -8.830 1.00 0.00 H new ATOM 0 HG SER A 43 88.983 -3.458 -8.367 1.00 0.00 H new ATOM 688 N THR A 44 92.998 -5.364 -6.059 1.00 0.00 N ATOM 689 CA THR A 44 94.445 -5.500 -5.709 1.00 0.00 C ATOM 690 C THR A 44 95.032 -6.754 -6.364 1.00 0.00 C ATOM 691 O THR A 44 94.344 -7.741 -6.556 1.00 0.00 O ATOM 692 CB THR A 44 94.486 -5.604 -4.174 1.00 0.00 C ATOM 693 OG1 THR A 44 95.836 -5.731 -3.750 1.00 0.00 O ATOM 694 CG2 THR A 44 93.685 -6.821 -3.694 1.00 0.00 C ATOM 0 H THR A 44 92.441 -6.207 -5.919 1.00 0.00 H new ATOM 0 HA THR A 44 95.037 -4.657 -6.065 1.00 0.00 H new ATOM 0 HB THR A 44 94.043 -4.704 -3.748 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.867 -5.796 -2.773 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.726 -6.878 -2.606 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.648 -6.723 -4.014 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.112 -7.729 -4.121 1.00 0.00 H new ATOM 702 N LYS A 45 96.297 -6.720 -6.707 1.00 0.00 N ATOM 703 CA LYS A 45 96.924 -7.889 -7.394 1.00 0.00 C ATOM 704 C LYS A 45 98.368 -8.080 -6.926 1.00 0.00 C ATOM 705 O LYS A 45 99.088 -7.124 -6.704 1.00 0.00 O ATOM 706 CB LYS A 45 96.885 -7.543 -8.882 1.00 0.00 C ATOM 707 CG LYS A 45 95.460 -7.723 -9.407 1.00 0.00 C ATOM 708 CD LYS A 45 95.458 -7.618 -10.933 1.00 0.00 C ATOM 709 CE LYS A 45 95.674 -6.161 -11.349 1.00 0.00 C ATOM 710 NZ LYS A 45 94.332 -5.525 -11.235 1.00 0.00 N ATOM 0 H LYS A 45 96.922 -5.931 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 45 96.399 -8.819 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 45 97.214 -6.516 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.572 -8.185 -9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 45 95.068 -8.692 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.805 -6.964 -8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 45 96.244 -8.246 -11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 45 94.512 -7.984 -11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 45 96.400 -5.669 -10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.057 -6.094 -12.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 94.028 -5.186 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 93.647 -6.222 -10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.383 -4.723 -10.575 1.00 0.00 H new ATOM 724 N SER A 46 98.788 -9.312 -6.775 1.00 0.00 N ATOM 725 CA SER A 46 100.205 -9.588 -6.393 1.00 0.00 C ATOM 726 C SER A 46 100.993 -10.054 -7.619 1.00 0.00 C ATOM 727 O SER A 46 100.733 -11.109 -8.166 1.00 0.00 O ATOM 728 CB SER A 46 100.124 -10.702 -5.350 1.00 0.00 C ATOM 729 OG SER A 46 99.651 -11.892 -5.969 1.00 0.00 O ATOM 0 H SER A 46 98.207 -10.141 -6.901 1.00 0.00 H new ATOM 0 HA SER A 46 100.712 -8.705 -6.003 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.105 -10.874 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.456 -10.410 -4.540 1.00 0.00 H new ATOM 0 HG SER A 46 99.571 -11.749 -6.935 1.00 0.00 H new ATOM 735 N ILE A 47 101.953 -9.272 -8.052 1.00 0.00 N ATOM 736 CA ILE A 47 102.730 -9.635 -9.278 1.00 0.00 C ATOM 737 C ILE A 47 104.229 -9.556 -8.976 1.00 0.00 C ATOM 738 O ILE A 47 104.702 -8.587 -8.411 1.00 0.00 O ATOM 739 CB ILE A 47 102.327 -8.598 -10.341 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.814 -8.671 -10.594 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.065 -8.886 -11.655 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.372 -7.464 -11.425 1.00 0.00 C ATOM 0 H ILE A 47 102.232 -8.397 -7.608 1.00 0.00 H new ATOM 0 HA ILE A 47 102.523 -10.649 -9.619 1.00 0.00 H new ATOM 0 HB ILE A 47 102.592 -7.604 -9.980 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.567 -9.595 -11.117 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.277 -8.688 -9.646 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.776 -8.149 -12.404 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.141 -8.831 -11.488 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.804 -9.884 -12.008 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.298 -7.518 -11.603 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.604 -6.546 -10.885 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.899 -7.467 -12.379 1.00 0.00 H new ATOM 754 N VAL A 48 104.973 -10.567 -9.349 1.00 0.00 N ATOM 755 CA VAL A 48 106.451 -10.539 -9.107 1.00 0.00 C ATOM 756 C VAL A 48 107.101 -9.528 -10.056 1.00 0.00 C ATOM 757 O VAL A 48 106.774 -9.465 -11.223 1.00 0.00 O ATOM 758 CB VAL A 48 106.961 -11.964 -9.390 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.451 -12.060 -9.033 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.161 -12.993 -8.569 1.00 0.00 C ATOM 0 H VAL A 48 104.624 -11.408 -9.809 1.00 0.00 H new ATOM 0 HA VAL A 48 106.695 -10.239 -8.088 1.00 0.00 H new ATOM 0 HB VAL A 48 106.827 -12.182 -10.450 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.809 -13.070 -9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 48 109.016 -11.348 -9.635 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.587 -11.831 -7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.533 -13.995 -8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.276 -12.779 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 48 105.107 -12.933 -8.839 1.00 0.00 H new ATOM 770 N THR A 49 108.019 -8.738 -9.558 1.00 0.00 N ATOM 771 CA THR A 49 108.601 -7.631 -10.385 1.00 0.00 C ATOM 772 C THR A 49 109.350 -8.180 -11.605 1.00 0.00 C ATOM 773 O THR A 49 109.503 -7.497 -12.601 1.00 0.00 O ATOM 774 CB THR A 49 109.564 -6.882 -9.456 1.00 0.00 C ATOM 775 OG1 THR A 49 110.526 -7.792 -8.945 1.00 0.00 O ATOM 776 CG2 THR A 49 108.785 -6.254 -8.298 1.00 0.00 C ATOM 0 H THR A 49 108.393 -8.811 -8.612 1.00 0.00 H new ATOM 0 HA THR A 49 107.819 -6.978 -10.773 1.00 0.00 H new ATOM 0 HB THR A 49 110.067 -6.094 -10.016 1.00 0.00 H new ATOM 0 HG1 THR A 49 111.424 -7.503 -9.212 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.474 -5.723 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.048 -5.554 -8.692 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.277 -7.037 -7.734 1.00 0.00 H new ATOM 784 N LYS A 50 109.818 -9.403 -11.541 1.00 0.00 N ATOM 785 CA LYS A 50 110.641 -9.960 -12.667 1.00 0.00 C ATOM 786 C LYS A 50 109.856 -9.937 -13.984 1.00 0.00 C ATOM 787 O LYS A 50 110.437 -9.901 -15.054 1.00 0.00 O ATOM 788 CB LYS A 50 110.975 -11.400 -12.265 1.00 0.00 C ATOM 789 CG LYS A 50 111.876 -11.395 -11.027 1.00 0.00 C ATOM 790 CD LYS A 50 113.274 -10.900 -11.412 1.00 0.00 C ATOM 791 CE LYS A 50 114.221 -11.071 -10.224 1.00 0.00 C ATOM 792 NZ LYS A 50 114.682 -12.486 -10.302 1.00 0.00 N ATOM 0 H LYS A 50 109.667 -10.041 -10.760 1.00 0.00 H new ATOM 0 HA LYS A 50 111.541 -9.368 -12.831 1.00 0.00 H new ATOM 0 HB2 LYS A 50 110.058 -11.952 -12.057 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.475 -11.911 -13.088 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.450 -10.751 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.938 -12.398 -10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 50 113.646 -11.459 -12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 50 113.231 -9.852 -11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 50 115.060 -10.378 -10.285 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.712 -10.873 -9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 114.773 -12.875 -9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.991 -13.047 -10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 115.605 -12.525 -10.780 1.00 0.00 H new ATOM 806 N ASP A 51 108.546 -9.959 -13.916 1.00 0.00 N ATOM 807 CA ASP A 51 107.733 -9.845 -15.168 1.00 0.00 C ATOM 808 C ASP A 51 107.450 -8.372 -15.519 1.00 0.00 C ATOM 809 O ASP A 51 106.640 -8.090 -16.384 1.00 0.00 O ATOM 810 CB ASP A 51 106.429 -10.618 -14.902 1.00 0.00 C ATOM 811 CG ASP A 51 105.664 -10.026 -13.710 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.434 -8.828 -13.707 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.317 -10.786 -12.822 1.00 0.00 O ATOM 0 H ASP A 51 108.008 -10.050 -13.054 1.00 0.00 H new ATOM 0 HA ASP A 51 108.267 -10.259 -16.023 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.799 -10.590 -15.791 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.658 -11.666 -14.706 1.00 0.00 H new ATOM 818 N ILE A 52 108.103 -7.433 -14.862 1.00 0.00 N ATOM 819 CA ILE A 52 107.971 -5.998 -15.282 1.00 0.00 C ATOM 820 C ILE A 52 108.781 -5.756 -16.559 1.00 0.00 C ATOM 821 O ILE A 52 109.997 -5.823 -16.552 1.00 0.00 O ATOM 822 CB ILE A 52 108.535 -5.165 -14.114 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.650 -5.353 -12.873 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.574 -3.673 -14.500 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.315 -4.695 -11.658 1.00 0.00 C ATOM 0 H ILE A 52 108.714 -7.598 -14.062 1.00 0.00 H new ATOM 0 HA ILE A 52 106.937 -5.727 -15.496 1.00 0.00 H new ATOM 0 HB ILE A 52 109.548 -5.502 -13.893 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.668 -4.912 -13.045 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.494 -6.415 -12.683 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.974 -3.092 -13.669 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.211 -3.540 -15.375 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.565 -3.330 -14.730 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.684 -4.831 -10.780 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.287 -5.156 -11.481 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.448 -3.630 -11.848 1.00 0.00 H new ATOM 837 N LYS A 53 108.113 -5.477 -17.651 1.00 0.00 N ATOM 838 CA LYS A 53 108.843 -5.044 -18.884 1.00 0.00 C ATOM 839 C LYS A 53 109.206 -3.562 -18.782 1.00 0.00 C ATOM 840 O LYS A 53 110.279 -3.151 -19.184 1.00 0.00 O ATOM 841 CB LYS A 53 107.875 -5.279 -20.046 1.00 0.00 C ATOM 842 CG LYS A 53 108.597 -5.032 -21.373 1.00 0.00 C ATOM 843 CD LYS A 53 107.616 -5.207 -22.533 1.00 0.00 C ATOM 844 CE LYS A 53 108.367 -5.076 -23.860 1.00 0.00 C ATOM 845 NZ LYS A 53 107.468 -5.693 -24.874 1.00 0.00 N ATOM 0 H LYS A 53 107.098 -5.530 -17.743 1.00 0.00 H new ATOM 0 HA LYS A 53 109.772 -5.598 -19.022 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.492 -6.299 -20.013 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.017 -4.613 -19.958 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.017 -4.026 -21.388 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.430 -5.727 -21.480 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.133 -6.182 -22.471 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.828 -4.456 -22.473 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.571 -4.032 -24.097 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.329 -5.588 -23.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 107.998 -5.858 -25.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.107 -6.599 -24.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.670 -5.054 -25.065 1.00 0.00 H new ATOM 859 N ASP A 54 108.319 -2.759 -18.245 1.00 0.00 N ATOM 860 CA ASP A 54 108.571 -1.277 -18.199 1.00 0.00 C ATOM 861 C ASP A 54 107.826 -0.636 -17.027 1.00 0.00 C ATOM 862 O ASP A 54 106.837 -1.161 -16.554 1.00 0.00 O ATOM 863 CB ASP A 54 108.037 -0.728 -19.525 1.00 0.00 C ATOM 864 CG ASP A 54 108.945 -1.174 -20.672 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.147 -1.006 -20.550 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.423 -1.676 -21.654 1.00 0.00 O ATOM 0 H ASP A 54 107.434 -3.061 -17.837 1.00 0.00 H new ATOM 0 HA ASP A 54 109.630 -1.058 -18.062 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.021 -1.084 -19.694 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.991 0.360 -19.487 1.00 0.00 H new ATOM 871 N LEU A 55 108.296 0.498 -16.558 1.00 0.00 N ATOM 872 CA LEU A 55 107.662 1.146 -15.368 1.00 0.00 C ATOM 873 C LEU A 55 107.499 2.654 -15.586 1.00 0.00 C ATOM 874 O LEU A 55 108.332 3.296 -16.200 1.00 0.00 O ATOM 875 CB LEU A 55 108.629 0.887 -14.213 1.00 0.00 C ATOM 876 CG LEU A 55 108.422 -0.528 -13.677 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.693 -0.998 -12.968 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.255 -0.533 -12.686 1.00 0.00 C ATOM 0 H LEU A 55 109.092 1.001 -16.950 1.00 0.00 H new ATOM 0 HA LEU A 55 106.666 0.746 -15.177 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.657 1.011 -14.552 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.465 1.615 -13.418 1.00 0.00 H new ATOM 0 HG LEU A 55 108.199 -1.200 -14.506 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.544 -2.008 -12.586 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.525 -0.995 -13.672 1.00 0.00 H new ATOM 0 HD13 LEU A 55 109.917 -0.326 -12.140 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.107 -1.543 -12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.478 0.140 -11.858 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.348 -0.200 -13.190 1.00 0.00 H new ATOM 890 N ARG A 56 106.427 3.217 -15.084 1.00 0.00 N ATOM 891 CA ARG A 56 106.261 4.702 -15.106 1.00 0.00 C ATOM 892 C ARG A 56 105.445 5.148 -13.884 1.00 0.00 C ATOM 893 O ARG A 56 104.731 4.361 -13.292 1.00 0.00 O ATOM 894 CB ARG A 56 105.519 5.006 -16.420 1.00 0.00 C ATOM 895 CG ARG A 56 104.081 4.460 -16.369 1.00 0.00 C ATOM 896 CD ARG A 56 103.646 3.986 -17.760 1.00 0.00 C ATOM 897 NE ARG A 56 103.676 5.206 -18.631 1.00 0.00 N ATOM 898 CZ ARG A 56 103.685 5.112 -19.948 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.660 3.947 -20.556 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.717 6.202 -20.663 1.00 0.00 N ATOM 0 H ARG A 56 105.654 2.706 -14.657 1.00 0.00 H new ATOM 0 HA ARG A 56 107.211 5.234 -15.061 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.499 6.082 -16.592 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.054 4.559 -17.258 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.023 3.634 -15.660 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.402 5.235 -16.012 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.319 3.217 -18.140 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.647 3.550 -17.731 1.00 0.00 H new ATOM 0 HE ARG A 56 103.690 6.129 -18.197 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.633 3.087 -20.009 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.668 3.903 -21.575 1.00 0.00 H new ATOM 0 HH21 ARG A 56 103.735 7.113 -20.204 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.724 6.144 -21.681 1.00 0.00 H new ATOM 914 N ILE A 57 105.546 6.398 -13.507 1.00 0.00 N ATOM 915 CA ILE A 57 104.706 6.914 -12.380 1.00 0.00 C ATOM 916 C ILE A 57 103.627 7.851 -12.935 1.00 0.00 C ATOM 917 O ILE A 57 103.914 8.755 -13.698 1.00 0.00 O ATOM 918 CB ILE A 57 105.671 7.671 -11.452 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.776 6.721 -10.963 1.00 0.00 C ATOM 920 CG2 ILE A 57 104.900 8.205 -10.239 1.00 0.00 C ATOM 921 CD1 ILE A 57 107.871 7.523 -10.256 1.00 0.00 C ATOM 0 H ILE A 57 106.172 7.083 -13.929 1.00 0.00 H new ATOM 0 HA ILE A 57 104.196 6.115 -11.842 1.00 0.00 H new ATOM 0 HB ILE A 57 106.118 8.499 -12.002 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.357 5.981 -10.282 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.199 6.175 -11.806 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.583 8.742 -9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.115 8.882 -10.576 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.453 7.372 -9.696 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.652 6.846 -9.911 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.298 8.246 -10.951 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.443 8.049 -9.402 1.00 0.00 H new ATOM 933 N LEU A 58 102.389 7.639 -12.555 1.00 0.00 N ATOM 934 CA LEU A 58 101.272 8.451 -13.133 1.00 0.00 C ATOM 935 C LEU A 58 101.212 9.828 -12.454 1.00 0.00 C ATOM 936 O LEU A 58 101.763 10.005 -11.385 1.00 0.00 O ATOM 937 CB LEU A 58 99.994 7.653 -12.850 1.00 0.00 C ATOM 938 CG LEU A 58 100.036 6.325 -13.608 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.008 5.362 -13.013 1.00 0.00 C ATOM 940 CD2 LEU A 58 99.714 6.564 -15.085 1.00 0.00 C ATOM 0 H LEU A 58 102.105 6.939 -11.870 1.00 0.00 H new ATOM 0 HA LEU A 58 101.405 8.627 -14.200 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.898 7.469 -11.780 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.120 8.229 -13.154 1.00 0.00 H new ATOM 0 HG LEU A 58 101.033 5.893 -13.520 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.039 4.416 -13.554 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.239 5.187 -11.962 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.012 5.796 -13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 58 99.745 5.616 -15.622 1.00 0.00 H new ATOM 0 HD22 LEU A 58 98.719 7.000 -15.175 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.449 7.247 -15.512 1.00 0.00 H new