USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 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 17 ASN : amide:sc= 0.321 K(o=1.4,f=-7.9!) USER MOD Set 1.2: A 19 SER OG : rot -63:sc= 1.06 USER MOD Single : A 9 SER OG : rot 180:sc= -1.4 USER MOD Single : A 10 ASN : amide:sc= -0.125 K(o=-0.12,f=-2.7!) USER MOD Single : A 16 ASN : amide:sc= -1.19 K(o=-1.2,f=-4.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -65:sc= 0.914 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= 0.00327 USER MOD Single : A 32 ASN :FLIP amide:sc= -3.86! C(o=-4.4!,f=-3.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.645 K(o=-0.64,f=-5.5!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 43 SER OG : rot 70:sc= 0.0332 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 44:sc= 0.941 USER MOD Single : A 49 THR OG1 : rot -80:sc= 0.0757 USER MOD Single : A 50 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.059) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 1.35 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.813 2.956 -1.485 1.00 0.00 N ATOM 152 CA GLY A 8 101.599 3.828 -1.503 1.00 0.00 C ATOM 153 C GLY A 8 101.619 4.759 -2.727 1.00 0.00 C ATOM 154 O GLY A 8 100.718 5.557 -2.908 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.701 3.210 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.557 4.421 -0.589 1.00 0.00 H new ATOM 158 N SER A 9 102.630 4.668 -3.567 1.00 0.00 N ATOM 159 CA SER A 9 102.677 5.538 -4.784 1.00 0.00 C ATOM 160 C SER A 9 101.924 4.871 -5.937 1.00 0.00 C ATOM 161 O SER A 9 101.878 3.658 -6.034 1.00 0.00 O ATOM 162 CB SER A 9 104.162 5.685 -5.121 1.00 0.00 C ATOM 163 OG SER A 9 104.658 4.452 -5.626 1.00 0.00 O ATOM 0 H SER A 9 103.419 4.031 -3.460 1.00 0.00 H new ATOM 0 HA SER A 9 102.207 6.507 -4.615 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.302 6.475 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.720 5.977 -4.232 1.00 0.00 H new ATOM 0 HG SER A 9 105.609 4.546 -5.844 1.00 0.00 H new ATOM 169 N ASN A 10 101.335 5.652 -6.808 1.00 0.00 N ATOM 170 CA ASN A 10 100.623 5.069 -7.986 1.00 0.00 C ATOM 171 C ASN A 10 101.549 5.058 -9.202 1.00 0.00 C ATOM 172 O ASN A 10 101.944 6.096 -9.702 1.00 0.00 O ATOM 173 CB ASN A 10 99.430 5.996 -8.230 1.00 0.00 C ATOM 174 CG ASN A 10 98.387 5.277 -9.091 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.729 4.494 -9.956 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.120 5.512 -8.889 1.00 0.00 N ATOM 0 H ASN A 10 101.317 6.670 -6.754 1.00 0.00 H new ATOM 0 HA ASN A 10 100.308 4.040 -7.812 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.988 6.294 -7.279 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.761 6.908 -8.728 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.417 5.039 -9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.832 6.169 -8.163 1.00 0.00 H new ATOM 183 N VAL A 11 101.897 3.889 -9.676 1.00 0.00 N ATOM 184 CA VAL A 11 102.777 3.787 -10.879 1.00 0.00 C ATOM 185 C VAL A 11 102.148 2.837 -11.901 1.00 0.00 C ATOM 186 O VAL A 11 101.275 2.056 -11.570 1.00 0.00 O ATOM 187 CB VAL A 11 104.120 3.232 -10.370 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.754 4.236 -9.404 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.910 1.896 -9.641 1.00 0.00 C ATOM 0 H VAL A 11 101.607 2.995 -9.279 1.00 0.00 H new ATOM 0 HA VAL A 11 102.912 4.749 -11.373 1.00 0.00 H new ATOM 0 HB VAL A 11 104.776 3.070 -11.225 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.705 3.843 -9.043 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.924 5.181 -9.921 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.085 4.400 -8.559 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.870 1.519 -9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.245 2.046 -8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.466 1.174 -10.326 1.00 0.00 H new ATOM 199 N GLU A 12 102.582 2.898 -13.136 1.00 0.00 N ATOM 200 CA GLU A 12 102.090 1.923 -14.154 1.00 0.00 C ATOM 201 C GLU A 12 103.265 1.101 -14.692 1.00 0.00 C ATOM 202 O GLU A 12 104.371 1.591 -14.808 1.00 0.00 O ATOM 203 CB GLU A 12 101.472 2.783 -15.262 1.00 0.00 C ATOM 204 CG GLU A 12 100.863 1.883 -16.345 1.00 0.00 C ATOM 205 CD GLU A 12 100.273 2.749 -17.460 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.625 3.733 -17.142 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.480 2.413 -18.615 1.00 0.00 O ATOM 0 H GLU A 12 103.256 3.581 -13.482 1.00 0.00 H new ATOM 0 HA GLU A 12 101.367 1.217 -13.745 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.704 3.433 -14.843 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.233 3.429 -15.700 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.626 1.219 -16.752 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.087 1.251 -15.913 1.00 0.00 H new ATOM 214 N VAL A 13 103.033 -0.146 -15.013 1.00 0.00 N ATOM 215 CA VAL A 13 104.127 -0.998 -15.569 1.00 0.00 C ATOM 216 C VAL A 13 103.624 -1.762 -16.795 1.00 0.00 C ATOM 217 O VAL A 13 102.484 -2.189 -16.838 1.00 0.00 O ATOM 218 CB VAL A 13 104.507 -1.962 -14.429 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.343 -2.911 -14.108 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.720 -2.795 -14.850 1.00 0.00 C ATOM 0 H VAL A 13 102.131 -0.612 -14.914 1.00 0.00 H new ATOM 0 HA VAL A 13 104.986 -0.413 -15.897 1.00 0.00 H new ATOM 0 HB VAL A 13 104.740 -1.372 -13.543 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.633 -3.583 -13.300 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.473 -2.330 -13.801 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.095 -3.495 -14.994 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.990 -3.478 -14.044 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.475 -3.368 -15.744 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.560 -2.133 -15.062 1.00 0.00 H new ATOM 230 N LEU A 14 104.460 -1.937 -17.787 1.00 0.00 N ATOM 231 CA LEU A 14 104.111 -2.902 -18.873 1.00 0.00 C ATOM 232 C LEU A 14 104.718 -4.260 -18.555 1.00 0.00 C ATOM 233 O LEU A 14 105.862 -4.354 -18.147 1.00 0.00 O ATOM 234 CB LEU A 14 104.715 -2.372 -20.180 1.00 0.00 C ATOM 235 CG LEU A 14 104.270 -0.929 -20.505 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.246 -0.762 -22.024 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.866 -0.637 -19.967 1.00 0.00 C ATOM 0 H LEU A 14 105.356 -1.461 -17.892 1.00 0.00 H new ATOM 0 HA LEU A 14 103.030 -3.006 -18.962 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.802 -2.405 -20.112 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.427 -3.029 -21.000 1.00 0.00 H new ATOM 0 HG LEU A 14 104.971 -0.239 -20.035 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.934 0.252 -22.274 1.00 0.00 H new ATOM 0 HD12 LEU A 14 105.243 -0.944 -22.426 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.544 -1.475 -22.457 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.587 0.387 -20.215 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.153 -1.327 -20.418 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.858 -0.764 -18.884 1.00 0.00 H new ATOM 249 N LEU A 15 103.965 -5.307 -18.737 1.00 0.00 N ATOM 250 CA LEU A 15 104.537 -6.670 -18.551 1.00 0.00 C ATOM 251 C LEU A 15 105.200 -7.138 -19.850 1.00 0.00 C ATOM 252 O LEU A 15 105.138 -6.467 -20.864 1.00 0.00 O ATOM 253 CB LEU A 15 103.352 -7.569 -18.186 1.00 0.00 C ATOM 254 CG LEU A 15 102.780 -7.147 -16.831 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.445 -7.854 -16.598 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.760 -7.535 -15.720 1.00 0.00 C ATOM 0 H LEU A 15 102.981 -5.280 -19.006 1.00 0.00 H new ATOM 0 HA LEU A 15 105.302 -6.694 -17.775 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.581 -7.500 -18.954 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.672 -8.610 -18.148 1.00 0.00 H new ATOM 0 HG LEU A 15 102.627 -6.068 -16.823 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.038 -7.553 -15.633 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.746 -7.580 -17.388 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.598 -8.933 -16.607 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.353 -7.235 -14.755 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.912 -8.614 -15.730 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.713 -7.033 -15.884 1.00 0.00 H new ATOM 268 N ASN A 16 105.832 -8.286 -19.821 1.00 0.00 N ATOM 269 CA ASN A 16 106.584 -8.787 -21.026 1.00 0.00 C ATOM 270 C ASN A 16 105.666 -8.908 -22.257 1.00 0.00 C ATOM 271 O ASN A 16 106.132 -8.929 -23.381 1.00 0.00 O ATOM 272 CB ASN A 16 107.135 -10.167 -20.625 1.00 0.00 C ATOM 273 CG ASN A 16 105.989 -11.109 -20.230 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.105 -11.373 -21.020 1.00 0.00 O ATOM 275 ND2 ASN A 16 105.970 -11.626 -19.032 1.00 0.00 N ATOM 0 H ASN A 16 105.862 -8.905 -19.011 1.00 0.00 H new ATOM 0 HA ASN A 16 107.378 -8.095 -21.307 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.697 -10.596 -21.455 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.829 -10.060 -19.792 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.213 -12.252 -18.759 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.713 -11.404 -18.369 1.00 0.00 H new ATOM 282 N ASN A 17 104.373 -8.986 -22.051 1.00 0.00 N ATOM 283 CA ASN A 17 103.432 -9.153 -23.202 1.00 0.00 C ATOM 284 C ASN A 17 102.879 -7.792 -23.666 1.00 0.00 C ATOM 285 O ASN A 17 101.820 -7.725 -24.259 1.00 0.00 O ATOM 286 CB ASN A 17 102.304 -10.058 -22.675 1.00 0.00 C ATOM 287 CG ASN A 17 101.550 -9.381 -21.519 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.029 -8.427 -20.936 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.383 -9.841 -21.162 1.00 0.00 N ATOM 0 H ASN A 17 103.929 -8.941 -21.134 1.00 0.00 H new ATOM 0 HA ASN A 17 103.927 -9.589 -24.070 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.609 -10.287 -23.483 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.722 -11.006 -22.336 1.00 0.00 H new ATOM 0 HD21 ASN A 17 99.874 -9.401 -20.395 1.00 0.00 H new ATOM 0 HD22 ASN A 17 99.979 -10.641 -21.649 1.00 0.00 H new ATOM 296 N ASP A 18 103.588 -6.707 -23.396 1.00 0.00 N ATOM 297 CA ASP A 18 103.171 -5.354 -23.908 1.00 0.00 C ATOM 298 C ASP A 18 101.764 -4.994 -23.412 1.00 0.00 C ATOM 299 O ASP A 18 101.061 -4.221 -24.036 1.00 0.00 O ATOM 300 CB ASP A 18 103.194 -5.447 -25.443 1.00 0.00 C ATOM 301 CG ASP A 18 104.620 -5.726 -25.924 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.536 -5.128 -25.383 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.772 -6.532 -26.827 1.00 0.00 O ATOM 0 H ASP A 18 104.442 -6.705 -22.839 1.00 0.00 H new ATOM 0 HA ASP A 18 103.843 -4.575 -23.548 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.526 -6.240 -25.779 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.829 -4.517 -25.878 1.00 0.00 H new ATOM 308 N SER A 19 101.351 -5.549 -22.293 1.00 0.00 N ATOM 309 CA SER A 19 100.083 -5.097 -21.652 1.00 0.00 C ATOM 310 C SER A 19 100.414 -4.160 -20.490 1.00 0.00 C ATOM 311 O SER A 19 101.388 -4.358 -19.788 1.00 0.00 O ATOM 312 CB SER A 19 99.410 -6.374 -21.145 1.00 0.00 C ATOM 313 OG SER A 19 100.171 -6.915 -20.073 1.00 0.00 O ATOM 0 H SER A 19 101.842 -6.295 -21.800 1.00 0.00 H new ATOM 0 HA SER A 19 99.433 -4.553 -22.337 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.395 -6.156 -20.812 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.330 -7.102 -21.953 1.00 0.00 H new ATOM 0 HG SER A 19 101.058 -7.173 -20.399 1.00 0.00 H new ATOM 319 N LYS A 20 99.613 -3.144 -20.280 1.00 0.00 N ATOM 320 CA LYS A 20 99.951 -2.125 -19.241 1.00 0.00 C ATOM 321 C LYS A 20 98.997 -2.225 -18.043 1.00 0.00 C ATOM 322 O LYS A 20 97.812 -2.454 -18.198 1.00 0.00 O ATOM 323 CB LYS A 20 99.815 -0.763 -19.945 1.00 0.00 C ATOM 324 CG LYS A 20 98.362 -0.505 -20.369 1.00 0.00 C ATOM 325 CD LYS A 20 98.272 0.852 -21.067 1.00 0.00 C ATOM 326 CE LYS A 20 96.818 1.322 -21.082 1.00 0.00 C ATOM 327 NZ LYS A 20 96.721 2.239 -22.252 1.00 0.00 N ATOM 0 H LYS A 20 98.741 -2.977 -20.783 1.00 0.00 H new ATOM 0 HA LYS A 20 100.955 -2.273 -18.842 1.00 0.00 H new ATOM 0 HB2 LYS A 20 100.149 0.031 -19.277 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.463 -0.736 -20.821 1.00 0.00 H new ATOM 0 HG2 LYS A 20 98.021 -1.294 -21.039 1.00 0.00 H new ATOM 0 HG3 LYS A 20 97.708 -0.522 -19.497 1.00 0.00 H new ATOM 0 HD2 LYS A 20 98.896 1.581 -20.550 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.651 0.775 -22.086 1.00 0.00 H new ATOM 0 HE2 LYS A 20 96.132 0.481 -21.182 1.00 0.00 H new ATOM 0 HE3 LYS A 20 96.560 1.835 -20.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.750 2.603 -22.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 97.380 3.034 -22.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 96.966 1.721 -23.120 1.00 0.00 H new ATOM 341 N ALA A 21 99.518 -2.055 -16.852 1.00 0.00 N ATOM 342 CA ALA A 21 98.648 -2.035 -15.636 1.00 0.00 C ATOM 343 C ALA A 21 99.093 -0.912 -14.696 1.00 0.00 C ATOM 344 O ALA A 21 100.267 -0.602 -14.605 1.00 0.00 O ATOM 345 CB ALA A 21 98.853 -3.399 -14.978 1.00 0.00 C ATOM 0 H ALA A 21 100.514 -1.929 -16.670 1.00 0.00 H new ATOM 0 HA ALA A 21 97.600 -1.856 -15.877 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.246 -3.462 -14.075 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.556 -4.186 -15.671 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.904 -3.523 -14.718 1.00 0.00 H new ATOM 351 N ARG A 22 98.166 -0.301 -13.997 1.00 0.00 N ATOM 352 CA ARG A 22 98.525 0.839 -13.095 1.00 0.00 C ATOM 353 C ARG A 22 97.764 0.738 -11.772 1.00 0.00 C ATOM 354 O ARG A 22 96.625 0.311 -11.736 1.00 0.00 O ATOM 355 CB ARG A 22 98.124 2.113 -13.860 1.00 0.00 C ATOM 356 CG ARG A 22 96.626 2.087 -14.197 1.00 0.00 C ATOM 357 CD ARG A 22 96.289 3.261 -15.122 1.00 0.00 C ATOM 358 NE ARG A 22 96.470 4.485 -14.281 1.00 0.00 N ATOM 359 CZ ARG A 22 95.582 4.838 -13.371 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.503 4.121 -13.146 1.00 0.00 N ATOM 361 NH2 ARG A 22 95.782 5.921 -12.671 1.00 0.00 N ATOM 0 H ARG A 22 97.175 -0.543 -14.012 1.00 0.00 H new ATOM 0 HA ARG A 22 99.586 0.839 -12.846 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.353 2.993 -13.259 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.708 2.193 -14.777 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.367 1.144 -14.679 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.036 2.150 -13.283 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.947 3.279 -15.991 1.00 0.00 H new ATOM 0 HD3 ARG A 22 95.268 3.187 -15.496 1.00 0.00 H new ATOM 0 HE ARG A 22 97.301 5.061 -14.414 1.00 0.00 H new ATOM 0 HH11 ARG A 22 94.336 3.269 -13.681 1.00 0.00 H new ATOM 0 HH12 ARG A 22 93.833 4.417 -12.436 1.00 0.00 H new ATOM 0 HH21 ARG A 22 96.617 6.484 -12.830 1.00 0.00 H new ATOM 0 HH22 ARG A 22 95.103 6.204 -11.965 1.00 0.00 H new ATOM 375 N GLY A 23 98.390 1.127 -10.688 1.00 0.00 N ATOM 376 CA GLY A 23 97.702 1.087 -9.362 1.00 0.00 C ATOM 377 C GLY A 23 98.666 1.566 -8.272 1.00 0.00 C ATOM 378 O GLY A 23 99.770 1.989 -8.559 1.00 0.00 O ATOM 0 H GLY A 23 99.350 1.471 -10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.815 1.720 -9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.366 0.073 -9.145 1.00 0.00 H new ATOM 382 N VAL A 24 98.255 1.499 -7.028 1.00 0.00 N ATOM 383 CA VAL A 24 99.126 1.996 -5.915 1.00 0.00 C ATOM 384 C VAL A 24 99.966 0.840 -5.359 1.00 0.00 C ATOM 385 O VAL A 24 99.482 -0.260 -5.187 1.00 0.00 O ATOM 386 CB VAL A 24 98.161 2.535 -4.845 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.960 3.131 -3.682 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.271 3.628 -5.446 1.00 0.00 C ATOM 0 H VAL A 24 97.354 1.122 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 24 99.820 2.768 -6.246 1.00 0.00 H new ATOM 0 HB VAL A 24 97.541 1.714 -4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.273 3.512 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.592 2.360 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.584 3.946 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.591 4.004 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.894 4.445 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.694 3.214 -6.273 1.00 0.00 H new ATOM 398 N ILE A 25 101.221 1.089 -5.078 1.00 0.00 N ATOM 399 CA ILE A 25 102.119 -0.003 -4.578 1.00 0.00 C ATOM 400 C ILE A 25 101.892 -0.227 -3.076 1.00 0.00 C ATOM 401 O ILE A 25 101.719 0.711 -2.322 1.00 0.00 O ATOM 402 CB ILE A 25 103.548 0.503 -4.858 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.770 0.570 -6.374 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.595 -0.433 -4.228 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.027 1.390 -6.674 1.00 0.00 C ATOM 0 H ILE A 25 101.665 2.002 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 25 101.930 -0.960 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 25 103.661 1.493 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.874 -0.436 -6.781 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.905 1.022 -6.859 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.595 -0.055 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.443 -0.475 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.489 -1.433 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.183 1.436 -7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.905 2.400 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.890 0.919 -6.203 1.00 0.00 H new ATOM 417 N THR A 26 101.889 -1.469 -2.646 1.00 0.00 N ATOM 418 CA THR A 26 101.683 -1.762 -1.193 1.00 0.00 C ATOM 419 C THR A 26 102.820 -2.621 -0.622 1.00 0.00 C ATOM 420 O THR A 26 103.213 -2.440 0.516 1.00 0.00 O ATOM 421 CB THR A 26 100.355 -2.519 -1.118 1.00 0.00 C ATOM 422 OG1 THR A 26 100.392 -3.634 -2.001 1.00 0.00 O ATOM 423 CG2 THR A 26 99.210 -1.581 -1.508 1.00 0.00 C ATOM 0 H THR A 26 102.020 -2.289 -3.238 1.00 0.00 H new ATOM 0 HA THR A 26 101.672 -0.844 -0.605 1.00 0.00 H new ATOM 0 HB THR A 26 100.195 -2.875 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.458 -3.317 -2.926 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.264 -2.120 -1.455 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.184 -0.734 -0.823 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.365 -1.220 -2.525 1.00 0.00 H new ATOM 431 N ASN A 27 103.355 -3.551 -1.388 1.00 0.00 N ATOM 432 CA ASN A 27 104.347 -4.510 -0.804 1.00 0.00 C ATOM 433 C ASN A 27 105.541 -4.708 -1.740 1.00 0.00 C ATOM 434 O ASN A 27 105.412 -4.650 -2.947 1.00 0.00 O ATOM 435 CB ASN A 27 103.576 -5.820 -0.639 1.00 0.00 C ATOM 436 CG ASN A 27 104.401 -6.795 0.204 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.966 -7.738 -0.314 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.494 -6.607 1.492 1.00 0.00 N ATOM 0 H ASN A 27 103.149 -3.684 -2.378 1.00 0.00 H new ATOM 0 HA ASN A 27 104.754 -4.145 0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.615 -5.631 -0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.365 -6.256 -1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.041 -7.251 2.063 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.020 -5.816 1.927 1.00 0.00 H new ATOM 445 N PHE A 28 106.701 -4.938 -1.177 1.00 0.00 N ATOM 446 CA PHE A 28 107.904 -5.267 -1.998 1.00 0.00 C ATOM 447 C PHE A 28 108.831 -6.189 -1.203 1.00 0.00 C ATOM 448 O PHE A 28 109.168 -5.910 -0.068 1.00 0.00 O ATOM 449 CB PHE A 28 108.579 -3.923 -2.272 1.00 0.00 C ATOM 450 CG PHE A 28 109.660 -3.996 -3.323 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.317 -4.235 -4.675 1.00 0.00 C ATOM 452 CD2 PHE A 28 111.018 -3.824 -2.955 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.330 -4.300 -5.662 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.031 -3.890 -3.943 1.00 0.00 C ATOM 455 CZ PHE A 28 111.688 -4.128 -5.295 1.00 0.00 C ATOM 0 H PHE A 28 106.866 -4.911 -0.171 1.00 0.00 H new ATOM 0 HA PHE A 28 107.653 -5.784 -2.924 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.824 -3.204 -2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 28 109.010 -3.546 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.282 -4.368 -4.954 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.280 -3.643 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.068 -4.481 -6.694 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.066 -3.759 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.461 -4.179 -6.047 1.00 0.00 H new ATOM 465 N ASP A 29 109.243 -7.282 -1.795 1.00 0.00 N ATOM 466 CA ASP A 29 110.086 -8.273 -1.057 1.00 0.00 C ATOM 467 C ASP A 29 111.411 -8.482 -1.790 1.00 0.00 C ATOM 468 O ASP A 29 111.433 -8.869 -2.941 1.00 0.00 O ATOM 469 CB ASP A 29 109.264 -9.564 -1.053 1.00 0.00 C ATOM 470 CG ASP A 29 109.894 -10.570 -0.086 1.00 0.00 C ATOM 471 OD1 ASP A 29 111.105 -10.715 -0.117 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.152 -11.180 0.667 1.00 0.00 O ATOM 0 H ASP A 29 109.031 -7.532 -2.761 1.00 0.00 H new ATOM 0 HA ASP A 29 110.329 -7.942 -0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.237 -9.352 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.225 -9.985 -2.058 1.00 0.00 H new ATOM 477 N SER A 30 112.513 -8.226 -1.127 1.00 0.00 N ATOM 478 CA SER A 30 113.851 -8.393 -1.782 1.00 0.00 C ATOM 479 C SER A 30 114.153 -9.876 -2.027 1.00 0.00 C ATOM 480 O SER A 30 114.846 -10.224 -2.965 1.00 0.00 O ATOM 481 CB SER A 30 114.861 -7.799 -0.798 1.00 0.00 C ATOM 482 OG SER A 30 114.494 -6.459 -0.498 1.00 0.00 O ATOM 0 H SER A 30 112.545 -7.908 -0.158 1.00 0.00 H new ATOM 0 HA SER A 30 113.888 -7.899 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.889 -8.393 0.115 1.00 0.00 H new ATOM 0 HB3 SER A 30 115.863 -7.826 -1.227 1.00 0.00 H new ATOM 0 HG SER A 30 115.139 -6.077 0.134 1.00 0.00 H new ATOM 488 N SER A 31 113.638 -10.750 -1.192 1.00 0.00 N ATOM 489 CA SER A 31 113.974 -12.210 -1.312 1.00 0.00 C ATOM 490 C SER A 31 113.544 -12.761 -2.677 1.00 0.00 C ATOM 491 O SER A 31 114.303 -13.440 -3.345 1.00 0.00 O ATOM 492 CB SER A 31 113.194 -12.900 -0.192 1.00 0.00 C ATOM 493 OG SER A 31 113.515 -12.286 1.050 1.00 0.00 O ATOM 0 H SER A 31 112.999 -10.517 -0.432 1.00 0.00 H new ATOM 0 HA SER A 31 115.047 -12.380 -1.230 1.00 0.00 H new ATOM 0 HB2 SER A 31 112.123 -12.828 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.441 -13.961 -0.161 1.00 0.00 H new ATOM 0 HG SER A 31 113.016 -12.724 1.770 1.00 0.00 H new ATOM 499 N ASN A 32 112.334 -12.474 -3.092 1.00 0.00 N ATOM 500 CA ASN A 32 111.847 -12.974 -4.418 1.00 0.00 C ATOM 501 C ASN A 32 111.373 -11.816 -5.314 1.00 0.00 C ATOM 502 O ASN A 32 110.796 -12.041 -6.362 1.00 0.00 O ATOM 503 CB ASN A 32 110.677 -13.900 -4.081 1.00 0.00 C ATOM 504 CG ASN A 32 110.318 -14.739 -5.308 1.00 0.00 C ATOM 505 OD1 ASN A 32 109.063 -14.983 -5.571 1.00 0.00 O flip ATOM 506 ND2 ASN A 32 111.187 -15.177 -6.036 1.00 0.00 N flip ATOM 0 H ASN A 32 111.661 -11.914 -2.569 1.00 0.00 H new ATOM 0 HA ASN A 32 112.637 -13.482 -4.971 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.943 -14.551 -3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.815 -13.313 -3.764 1.00 0.00 H new ATOM 0 HD21 ASN A 32 112.168 -14.987 -5.831 1.00 0.00 H new ATOM 0 HD22 ASN A 32 110.935 -15.735 -6.852 1.00 0.00 H new ATOM 513 N SER A 33 111.611 -10.580 -4.914 1.00 0.00 N ATOM 514 CA SER A 33 111.166 -9.393 -5.728 1.00 0.00 C ATOM 515 C SER A 33 109.675 -9.501 -6.092 1.00 0.00 C ATOM 516 O SER A 33 109.313 -9.659 -7.246 1.00 0.00 O ATOM 517 CB SER A 33 112.043 -9.409 -6.986 1.00 0.00 C ATOM 518 OG SER A 33 113.396 -9.644 -6.616 1.00 0.00 O ATOM 0 H SER A 33 112.099 -10.343 -4.050 1.00 0.00 H new ATOM 0 HA SER A 33 111.275 -8.461 -5.174 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.702 -10.185 -7.671 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.959 -8.459 -7.514 1.00 0.00 H new ATOM 0 HG SER A 33 113.957 -9.656 -7.419 1.00 0.00 H new ATOM 524 N ILE A 34 108.811 -9.417 -5.109 1.00 0.00 N ATOM 525 CA ILE A 34 107.341 -9.531 -5.376 1.00 0.00 C ATOM 526 C ILE A 34 106.650 -8.202 -5.045 1.00 0.00 C ATOM 527 O ILE A 34 106.902 -7.604 -4.016 1.00 0.00 O ATOM 528 CB ILE A 34 106.834 -10.654 -4.452 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.651 -11.949 -4.671 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.352 -10.927 -4.734 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.520 -12.459 -6.118 1.00 0.00 C ATOM 0 H ILE A 34 109.061 -9.274 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 34 107.129 -9.755 -6.421 1.00 0.00 H new ATOM 0 HB ILE A 34 106.956 -10.334 -3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.700 -11.762 -4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.308 -12.719 -3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.997 -11.722 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.774 -10.021 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.230 -11.232 -5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.106 -13.370 -6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.473 -12.670 -6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.888 -11.698 -6.807 1.00 0.00 H new ATOM 543 N LEU A 35 105.780 -7.743 -5.913 1.00 0.00 N ATOM 544 CA LEU A 35 105.141 -6.404 -5.719 1.00 0.00 C ATOM 545 C LEU A 35 103.617 -6.539 -5.730 1.00 0.00 C ATOM 546 O LEU A 35 103.040 -7.070 -6.660 1.00 0.00 O ATOM 547 CB LEU A 35 105.618 -5.575 -6.914 1.00 0.00 C ATOM 548 CG LEU A 35 105.146 -4.127 -6.769 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.108 -3.363 -5.857 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.117 -3.465 -8.148 1.00 0.00 C ATOM 0 H LEU A 35 105.484 -8.242 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 35 105.408 -5.946 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.706 -5.607 -6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.232 -6.001 -7.840 1.00 0.00 H new ATOM 0 HG LEU A 35 104.147 -4.111 -6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.771 -2.332 -5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.132 -3.836 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.108 -3.376 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.781 -2.433 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.117 -3.481 -8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.432 -4.009 -8.798 1.00 0.00 H new ATOM 562 N GLN A 36 102.966 -6.059 -4.698 1.00 0.00 N ATOM 563 CA GLN A 36 101.474 -6.048 -4.684 1.00 0.00 C ATOM 564 C GLN A 36 100.962 -4.639 -4.976 1.00 0.00 C ATOM 565 O GLN A 36 101.383 -3.679 -4.354 1.00 0.00 O ATOM 566 CB GLN A 36 101.086 -6.477 -3.269 1.00 0.00 C ATOM 567 CG GLN A 36 101.428 -7.955 -3.071 1.00 0.00 C ATOM 568 CD GLN A 36 101.121 -8.366 -1.628 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.299 -7.588 -0.710 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.665 -9.564 -1.387 1.00 0.00 N ATOM 0 H GLN A 36 103.408 -5.674 -3.863 1.00 0.00 H new ATOM 0 HA GLN A 36 101.046 -6.708 -5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.615 -5.869 -2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.020 -6.315 -3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.852 -8.568 -3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.481 -8.128 -3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.515 -10.217 -2.156 1.00 0.00 H new ATOM 0 HE22 GLN A 36 100.458 -9.848 -0.429 1.00 0.00 H new ATOM 579 N LEU A 37 100.060 -4.511 -5.919 1.00 0.00 N ATOM 580 CA LEU A 37 99.497 -3.168 -6.253 1.00 0.00 C ATOM 581 C LEU A 37 98.030 -3.089 -5.825 1.00 0.00 C ATOM 582 O LEU A 37 97.209 -3.880 -6.252 1.00 0.00 O ATOM 583 CB LEU A 37 99.611 -3.051 -7.775 1.00 0.00 C ATOM 584 CG LEU A 37 101.045 -2.688 -8.164 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.258 -2.973 -9.652 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.285 -1.199 -7.897 1.00 0.00 C ATOM 0 H LEU A 37 99.689 -5.283 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 37 100.026 -2.364 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.326 -3.993 -8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 37 98.922 -2.291 -8.143 1.00 0.00 H new ATOM 0 HG LEU A 37 101.741 -3.283 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.280 -2.714 -9.929 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.086 -4.031 -9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.560 -2.377 -10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.307 -0.940 -8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.587 -0.606 -8.488 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.132 -0.990 -6.838 1.00 0.00 H new ATOM 598 N ARG A 38 97.700 -2.139 -4.985 1.00 0.00 N ATOM 599 CA ARG A 38 96.264 -1.921 -4.620 1.00 0.00 C ATOM 600 C ARG A 38 95.665 -0.829 -5.510 1.00 0.00 C ATOM 601 O ARG A 38 96.171 0.275 -5.576 1.00 0.00 O ATOM 602 CB ARG A 38 96.276 -1.476 -3.156 1.00 0.00 C ATOM 603 CG ARG A 38 96.161 -2.699 -2.243 1.00 0.00 C ATOM 604 CD ARG A 38 94.741 -3.266 -2.323 1.00 0.00 C ATOM 605 NE ARG A 38 94.620 -4.180 -1.144 1.00 0.00 N ATOM 606 CZ ARG A 38 94.442 -3.712 0.078 1.00 0.00 C ATOM 607 NH1 ARG A 38 94.378 -2.422 0.320 1.00 0.00 N ATOM 608 NH2 ARG A 38 94.332 -4.552 1.070 1.00 0.00 N ATOM 0 H ARG A 38 98.361 -1.505 -4.536 1.00 0.00 H new ATOM 0 HA ARG A 38 95.662 -2.819 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 38 97.196 -0.933 -2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 38 95.450 -0.791 -2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 38 96.884 -3.458 -2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 38 96.396 -2.422 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 38 93.996 -2.471 -2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 38 94.583 -3.805 -3.257 1.00 0.00 H new ATOM 0 HE ARG A 38 94.676 -5.188 -1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.466 -1.754 -0.446 1.00 0.00 H new ATOM 0 HH12 ARG A 38 94.240 -2.088 1.274 1.00 0.00 H new ATOM 0 HH21 ARG A 38 94.384 -5.556 0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 38 94.194 -4.205 2.019 1.00 0.00 H new ATOM 622 N LEU A 39 94.591 -1.137 -6.193 1.00 0.00 N ATOM 623 CA LEU A 39 94.012 -0.166 -7.169 1.00 0.00 C ATOM 624 C LEU A 39 92.783 0.534 -6.576 1.00 0.00 C ATOM 625 O LEU A 39 92.063 -0.030 -5.769 1.00 0.00 O ATOM 626 CB LEU A 39 93.630 -1.017 -8.385 1.00 0.00 C ATOM 627 CG LEU A 39 93.290 -0.122 -9.587 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.492 0.753 -9.957 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.948 -1.010 -10.781 1.00 0.00 C ATOM 0 H LEU A 39 94.089 -2.022 -6.116 1.00 0.00 H new ATOM 0 HA LEU A 39 94.713 0.626 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.453 -1.683 -8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.775 -1.647 -8.140 1.00 0.00 H new ATOM 0 HG LEU A 39 92.447 0.518 -9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.236 1.381 -10.810 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.758 1.384 -9.109 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.339 0.117 -10.216 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.705 -0.386 -11.641 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.803 -1.642 -11.021 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.092 -1.637 -10.534 1.00 0.00 H new ATOM 641 N ALA A 40 92.545 1.761 -6.982 1.00 0.00 N ATOM 642 CA ALA A 40 91.453 2.583 -6.358 1.00 0.00 C ATOM 643 C ALA A 40 90.060 1.993 -6.636 1.00 0.00 C ATOM 644 O ALA A 40 89.075 2.456 -6.090 1.00 0.00 O ATOM 645 CB ALA A 40 91.576 3.968 -6.999 1.00 0.00 C ATOM 0 H ALA A 40 93.063 2.232 -7.724 1.00 0.00 H new ATOM 0 HA ALA A 40 91.558 2.611 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.809 4.627 -6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.561 4.382 -6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.446 3.883 -8.078 1.00 0.00 H new ATOM 651 N ASN A 41 89.960 0.983 -7.472 1.00 0.00 N ATOM 652 CA ASN A 41 88.637 0.316 -7.702 1.00 0.00 C ATOM 653 C ASN A 41 88.391 -0.794 -6.663 1.00 0.00 C ATOM 654 O ASN A 41 87.701 -1.757 -6.940 1.00 0.00 O ATOM 655 CB ASN A 41 88.735 -0.291 -9.106 1.00 0.00 C ATOM 656 CG ASN A 41 88.834 0.829 -10.146 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.215 1.865 -10.001 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.592 0.663 -11.194 1.00 0.00 N ATOM 0 H ASN A 41 90.738 0.593 -8.004 1.00 0.00 H new ATOM 0 HA ASN A 41 87.811 1.021 -7.610 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.608 -0.940 -9.172 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.861 -0.911 -9.307 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.666 1.403 -11.892 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.111 -0.207 -11.315 1.00 0.00 H new ATOM 665 N ASP A 42 88.948 -0.675 -5.463 1.00 0.00 N ATOM 666 CA ASP A 42 88.721 -1.708 -4.394 1.00 0.00 C ATOM 667 C ASP A 42 89.245 -3.076 -4.850 1.00 0.00 C ATOM 668 O ASP A 42 88.750 -4.105 -4.423 1.00 0.00 O ATOM 669 CB ASP A 42 87.202 -1.764 -4.173 1.00 0.00 C ATOM 670 CG ASP A 42 86.906 -2.381 -2.805 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.571 -2.009 -1.852 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.018 -3.216 -2.733 1.00 0.00 O ATOM 0 H ASP A 42 89.551 0.099 -5.185 1.00 0.00 H new ATOM 0 HA ASP A 42 89.249 -1.452 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.779 -0.761 -4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.731 -2.354 -4.959 1.00 0.00 H new ATOM 677 N SER A 43 90.242 -3.101 -5.712 1.00 0.00 N ATOM 678 CA SER A 43 90.803 -4.407 -6.176 1.00 0.00 C ATOM 679 C SER A 43 92.280 -4.519 -5.785 1.00 0.00 C ATOM 680 O SER A 43 93.009 -3.544 -5.799 1.00 0.00 O ATOM 681 CB SER A 43 90.647 -4.390 -7.697 1.00 0.00 C ATOM 682 OG SER A 43 89.265 -4.414 -8.026 1.00 0.00 O ATOM 0 H SER A 43 90.686 -2.274 -6.110 1.00 0.00 H new ATOM 0 HA SER A 43 90.292 -5.258 -5.726 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.116 -3.498 -8.113 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.152 -5.250 -8.136 1.00 0.00 H new ATOM 0 HG SER A 43 88.856 -3.557 -7.783 1.00 0.00 H new ATOM 688 N THR A 44 92.721 -5.703 -5.437 1.00 0.00 N ATOM 689 CA THR A 44 94.149 -5.901 -5.034 1.00 0.00 C ATOM 690 C THR A 44 94.804 -6.966 -5.922 1.00 0.00 C ATOM 691 O THR A 44 94.163 -7.916 -6.334 1.00 0.00 O ATOM 692 CB THR A 44 94.098 -6.358 -3.566 1.00 0.00 C ATOM 693 OG1 THR A 44 95.422 -6.570 -3.096 1.00 0.00 O ATOM 694 CG2 THR A 44 93.296 -7.661 -3.433 1.00 0.00 C ATOM 0 H THR A 44 92.149 -6.547 -5.415 1.00 0.00 H new ATOM 0 HA THR A 44 94.741 -4.993 -5.146 1.00 0.00 H new ATOM 0 HB THR A 44 93.609 -5.585 -2.973 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.394 -6.860 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.271 -7.968 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.278 -7.500 -3.788 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.769 -8.442 -4.029 1.00 0.00 H new ATOM 702 N LYS A 45 96.073 -6.814 -6.214 1.00 0.00 N ATOM 703 CA LYS A 45 96.765 -7.799 -7.097 1.00 0.00 C ATOM 704 C LYS A 45 98.211 -8.009 -6.642 1.00 0.00 C ATOM 705 O LYS A 45 98.882 -7.082 -6.226 1.00 0.00 O ATOM 706 CB LYS A 45 96.728 -7.178 -8.493 1.00 0.00 C ATOM 707 CG LYS A 45 95.319 -7.312 -9.069 1.00 0.00 C ATOM 708 CD LYS A 45 95.305 -6.802 -10.511 1.00 0.00 C ATOM 709 CE LYS A 45 93.874 -6.836 -11.051 1.00 0.00 C ATOM 710 NZ LYS A 45 93.837 -5.785 -12.106 1.00 0.00 N ATOM 0 H LYS A 45 96.658 -6.049 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 45 96.284 -8.777 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 45 97.015 -6.128 -8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.448 -7.675 -9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 45 95.000 -8.354 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.612 -6.744 -8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.696 -5.786 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.954 -7.419 -11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 45 93.630 -7.816 -11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 45 93.149 -6.630 -10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 92.886 -5.747 -12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 94.067 -4.862 -11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.532 -6.011 -12.846 1.00 0.00 H new ATOM 724 N SER A 46 98.688 -9.227 -6.719 1.00 0.00 N ATOM 725 CA SER A 46 100.114 -9.509 -6.372 1.00 0.00 C ATOM 726 C SER A 46 100.862 -10.004 -7.612 1.00 0.00 C ATOM 727 O SER A 46 100.545 -11.045 -8.159 1.00 0.00 O ATOM 728 CB SER A 46 100.054 -10.604 -5.308 1.00 0.00 C ATOM 729 OG SER A 46 99.542 -11.796 -5.890 1.00 0.00 O ATOM 0 H SER A 46 98.147 -10.042 -7.009 1.00 0.00 H new ATOM 0 HA SER A 46 100.639 -8.624 -6.012 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.048 -10.784 -4.898 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.420 -10.288 -4.480 1.00 0.00 H new ATOM 0 HG SER A 46 99.965 -11.942 -6.762 1.00 0.00 H new ATOM 735 N ILE A 47 101.850 -9.266 -8.057 1.00 0.00 N ATOM 736 CA ILE A 47 102.588 -9.657 -9.298 1.00 0.00 C ATOM 737 C ILE A 47 104.093 -9.648 -9.022 1.00 0.00 C ATOM 738 O ILE A 47 104.623 -8.698 -8.476 1.00 0.00 O ATOM 739 CB ILE A 47 102.216 -8.596 -10.348 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.697 -8.596 -10.574 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.917 -8.910 -11.676 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.298 -7.364 -11.390 1.00 0.00 C ATOM 0 H ILE A 47 102.177 -8.408 -7.613 1.00 0.00 H new ATOM 0 HA ILE A 47 102.328 -10.659 -9.641 1.00 0.00 H new ATOM 0 HB ILE A 47 102.534 -7.618 -9.987 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.397 -9.504 -11.098 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.177 -8.594 -9.616 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.650 -8.155 -12.416 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.997 -8.906 -11.527 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.603 -9.892 -12.030 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.220 -7.366 -11.549 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.583 -6.462 -10.849 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.807 -7.385 -12.354 1.00 0.00 H new ATOM 754 N VAL A 48 104.782 -10.698 -9.395 1.00 0.00 N ATOM 755 CA VAL A 48 106.262 -10.739 -9.181 1.00 0.00 C ATOM 756 C VAL A 48 106.942 -9.785 -10.169 1.00 0.00 C ATOM 757 O VAL A 48 106.597 -9.739 -11.333 1.00 0.00 O ATOM 758 CB VAL A 48 106.696 -12.194 -9.434 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.187 -12.353 -9.104 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.864 -13.158 -8.568 1.00 0.00 C ATOM 0 H VAL A 48 104.385 -11.527 -9.837 1.00 0.00 H new ATOM 0 HA VAL A 48 106.541 -10.427 -8.175 1.00 0.00 H new ATOM 0 HB VAL A 48 106.530 -12.435 -10.484 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.492 -13.384 -9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.773 -11.686 -9.736 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.357 -12.102 -8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.182 -14.183 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.012 -12.921 -7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.808 -13.053 -8.818 1.00 0.00 H new ATOM 770 N THR A 49 107.903 -9.028 -9.709 1.00 0.00 N ATOM 771 CA THR A 49 108.509 -7.954 -10.565 1.00 0.00 C ATOM 772 C THR A 49 109.184 -8.543 -11.808 1.00 0.00 C ATOM 773 O THR A 49 109.337 -7.871 -12.810 1.00 0.00 O ATOM 774 CB THR A 49 109.539 -7.245 -9.680 1.00 0.00 C ATOM 775 OG1 THR A 49 110.495 -8.190 -9.222 1.00 0.00 O ATOM 776 CG2 THR A 49 108.840 -6.599 -8.481 1.00 0.00 C ATOM 0 H THR A 49 108.299 -9.105 -8.772 1.00 0.00 H new ATOM 0 HA THR A 49 107.744 -7.267 -10.928 1.00 0.00 H new ATOM 0 HB THR A 49 110.039 -6.469 -10.260 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.123 -8.691 -8.466 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.579 -6.097 -7.856 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.109 -5.872 -8.834 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.334 -7.368 -7.897 1.00 0.00 H new ATOM 784 N LYS A 50 109.595 -9.788 -11.754 1.00 0.00 N ATOM 785 CA LYS A 50 110.345 -10.391 -12.906 1.00 0.00 C ATOM 786 C LYS A 50 109.526 -10.307 -14.201 1.00 0.00 C ATOM 787 O LYS A 50 110.077 -10.306 -15.286 1.00 0.00 O ATOM 788 CB LYS A 50 110.588 -11.853 -12.517 1.00 0.00 C ATOM 789 CG LYS A 50 111.552 -12.497 -13.517 1.00 0.00 C ATOM 790 CD LYS A 50 112.972 -11.988 -13.259 1.00 0.00 C ATOM 791 CE LYS A 50 113.947 -12.694 -14.203 1.00 0.00 C ATOM 792 NZ LYS A 50 113.834 -11.956 -15.492 1.00 0.00 N ATOM 0 H LYS A 50 109.444 -10.414 -10.963 1.00 0.00 H new ATOM 0 HA LYS A 50 111.278 -9.860 -13.095 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.002 -11.908 -11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.644 -12.398 -12.504 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.520 -13.582 -13.421 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.248 -12.258 -14.536 1.00 0.00 H new ATOM 0 HD2 LYS A 50 113.017 -10.910 -13.413 1.00 0.00 H new ATOM 0 HD3 LYS A 50 113.254 -12.174 -12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 50 114.966 -12.660 -13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.687 -13.745 -14.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 113.756 -12.636 -16.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 112.988 -11.351 -15.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 114.679 -11.365 -15.629 1.00 0.00 H new ATOM 806 N ASP A 51 108.221 -10.237 -14.094 1.00 0.00 N ATOM 807 CA ASP A 51 107.380 -10.061 -15.323 1.00 0.00 C ATOM 808 C ASP A 51 107.206 -8.572 -15.676 1.00 0.00 C ATOM 809 O ASP A 51 106.415 -8.231 -16.537 1.00 0.00 O ATOM 810 CB ASP A 51 106.025 -10.724 -15.011 1.00 0.00 C ATOM 811 CG ASP A 51 105.353 -10.074 -13.793 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.272 -8.857 -13.756 1.00 0.00 O ATOM 813 OD2 ASP A 51 104.929 -10.810 -12.918 1.00 0.00 O ATOM 0 H ASP A 51 107.704 -10.293 -13.217 1.00 0.00 H new ATOM 0 HA ASP A 51 107.853 -10.520 -16.191 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.369 -10.642 -15.878 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.173 -11.787 -14.823 1.00 0.00 H new ATOM 818 N ILE A 52 107.930 -7.684 -15.024 1.00 0.00 N ATOM 819 CA ILE A 52 107.880 -6.236 -15.420 1.00 0.00 C ATOM 820 C ILE A 52 108.750 -6.007 -16.660 1.00 0.00 C ATOM 821 O ILE A 52 109.961 -6.128 -16.608 1.00 0.00 O ATOM 822 CB ILE A 52 108.437 -5.454 -14.213 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.504 -5.648 -13.004 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.544 -3.954 -14.556 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.105 -4.965 -11.769 1.00 0.00 C ATOM 0 H ILE A 52 108.548 -7.899 -14.241 1.00 0.00 H new ATOM 0 HA ILE A 52 106.869 -5.913 -15.669 1.00 0.00 H new ATOM 0 HB ILE A 52 109.431 -5.830 -13.970 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.521 -5.229 -13.220 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.362 -6.711 -12.810 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.938 -3.412 -13.697 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.213 -3.822 -15.407 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.557 -3.567 -14.807 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.441 -5.105 -10.916 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.078 -5.404 -11.547 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.224 -3.899 -11.964 1.00 0.00 H new ATOM 837 N LYS A 53 108.138 -5.677 -17.770 1.00 0.00 N ATOM 838 CA LYS A 53 108.932 -5.261 -18.969 1.00 0.00 C ATOM 839 C LYS A 53 109.335 -3.788 -18.850 1.00 0.00 C ATOM 840 O LYS A 53 110.434 -3.411 -19.216 1.00 0.00 O ATOM 841 CB LYS A 53 108.009 -5.470 -20.170 1.00 0.00 C ATOM 842 CG LYS A 53 108.798 -5.262 -21.465 1.00 0.00 C ATOM 843 CD LYS A 53 107.877 -5.480 -22.668 1.00 0.00 C ATOM 844 CE LYS A 53 108.702 -5.439 -23.957 1.00 0.00 C ATOM 845 NZ LYS A 53 107.970 -6.321 -24.910 1.00 0.00 N ATOM 0 H LYS A 53 107.126 -5.677 -17.899 1.00 0.00 H new ATOM 0 HA LYS A 53 109.851 -5.838 -19.067 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.587 -6.475 -20.147 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.173 -4.772 -20.125 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.215 -4.255 -21.491 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.638 -5.956 -21.507 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.367 -6.440 -22.580 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.105 -4.711 -22.693 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.783 -4.422 -24.342 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.717 -5.797 -23.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.437 -6.291 -25.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.973 -7.297 -24.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.988 -5.991 -25.005 1.00 0.00 H new ATOM 859 N ASP A 54 108.455 -2.956 -18.342 1.00 0.00 N ATOM 860 CA ASP A 54 108.754 -1.483 -18.294 1.00 0.00 C ATOM 861 C ASP A 54 107.992 -0.809 -17.149 1.00 0.00 C ATOM 862 O ASP A 54 106.899 -1.211 -16.804 1.00 0.00 O ATOM 863 CB ASP A 54 108.280 -0.922 -19.638 1.00 0.00 C ATOM 864 CG ASP A 54 109.203 -1.408 -20.757 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.406 -1.276 -20.606 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.689 -1.904 -21.747 1.00 0.00 O ATOM 0 H ASP A 54 107.549 -3.228 -17.961 1.00 0.00 H new ATOM 0 HA ASP A 54 109.815 -1.300 -18.123 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.256 -1.240 -19.835 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.274 0.168 -19.606 1.00 0.00 H new ATOM 871 N LEU A 55 108.567 0.218 -16.566 1.00 0.00 N ATOM 872 CA LEU A 55 107.916 0.896 -15.401 1.00 0.00 C ATOM 873 C LEU A 55 107.814 2.407 -15.635 1.00 0.00 C ATOM 874 O LEU A 55 108.690 3.013 -16.225 1.00 0.00 O ATOM 875 CB LEU A 55 108.838 0.617 -14.213 1.00 0.00 C ATOM 876 CG LEU A 55 108.672 -0.832 -13.755 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.952 -1.301 -13.059 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.499 -0.925 -12.774 1.00 0.00 C ATOM 0 H LEU A 55 109.462 0.616 -16.849 1.00 0.00 H new ATOM 0 HA LEU A 55 106.902 0.530 -15.240 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.875 0.802 -14.495 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.604 1.296 -13.393 1.00 0.00 H new ATOM 0 HG LEU A 55 108.477 -1.464 -14.621 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.831 -2.334 -12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.789 -1.235 -13.754 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.148 -0.668 -12.193 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.379 -1.958 -12.447 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.696 -0.291 -11.910 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.585 -0.593 -13.267 1.00 0.00 H new ATOM 890 N ARG A 56 106.746 3.013 -15.175 1.00 0.00 N ATOM 891 CA ARG A 56 106.652 4.505 -15.187 1.00 0.00 C ATOM 892 C ARG A 56 105.856 4.984 -13.964 1.00 0.00 C ATOM 893 O ARG A 56 105.100 4.231 -13.377 1.00 0.00 O ATOM 894 CB ARG A 56 105.931 4.856 -16.502 1.00 0.00 C ATOM 895 CG ARG A 56 104.456 4.421 -16.448 1.00 0.00 C ATOM 896 CD ARG A 56 103.977 4.011 -17.844 1.00 0.00 C ATOM 897 NE ARG A 56 104.072 5.249 -18.684 1.00 0.00 N ATOM 898 CZ ARG A 56 104.061 5.190 -20.002 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.957 4.046 -20.639 1.00 0.00 N ATOM 900 NH2 ARG A 56 104.150 6.295 -20.690 1.00 0.00 N ATOM 0 H ARG A 56 105.932 2.535 -14.790 1.00 0.00 H new ATOM 0 HA ARG A 56 107.627 4.989 -15.135 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.992 5.930 -16.680 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.429 4.365 -17.338 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.340 3.587 -15.756 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.841 5.238 -16.069 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.597 3.212 -18.252 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.954 3.636 -17.813 1.00 0.00 H new ATOM 0 HE ARG A 56 104.147 6.157 -18.226 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.882 3.175 -20.114 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.951 4.029 -21.659 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.227 7.191 -20.208 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.143 6.263 -21.709 1.00 0.00 H new ATOM 914 N ILE A 57 106.021 6.225 -13.578 1.00 0.00 N ATOM 915 CA ILE A 57 105.219 6.776 -12.439 1.00 0.00 C ATOM 916 C ILE A 57 104.269 7.860 -12.963 1.00 0.00 C ATOM 917 O ILE A 57 104.677 8.762 -13.671 1.00 0.00 O ATOM 918 CB ILE A 57 106.242 7.366 -11.454 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.227 6.274 -11.008 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.507 7.911 -10.224 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.378 6.904 -10.217 1.00 0.00 C ATOM 0 H ILE A 57 106.676 6.882 -14.002 1.00 0.00 H new ATOM 0 HA ILE A 57 104.607 6.016 -11.953 1.00 0.00 H new ATOM 0 HB ILE A 57 106.790 8.170 -11.946 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.712 5.536 -10.393 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.618 5.747 -11.878 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.230 8.330 -9.524 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.808 8.689 -10.533 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.959 7.103 -9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.073 6.125 -9.903 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.900 7.625 -10.846 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.981 7.411 -9.338 1.00 0.00 H new ATOM 933 N LEU A 58 103.008 7.772 -12.616 1.00 0.00 N ATOM 934 CA LEU A 58 102.000 8.719 -13.188 1.00 0.00 C ATOM 935 C LEU A 58 101.840 9.941 -12.264 1.00 0.00 C ATOM 936 O LEU A 58 101.628 9.775 -11.077 1.00 0.00 O ATOM 937 CB LEU A 58 100.686 7.928 -13.253 1.00 0.00 C ATOM 938 CG LEU A 58 100.852 6.688 -14.142 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.675 5.738 -13.916 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.894 7.107 -15.613 1.00 0.00 C ATOM 0 H LEU A 58 102.633 7.085 -11.961 1.00 0.00 H new ATOM 0 HA LEU A 58 102.299 9.089 -14.169 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.386 7.626 -12.250 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.891 8.562 -13.647 1.00 0.00 H new ATOM 0 HG LEU A 58 101.783 6.183 -13.885 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.792 4.857 -14.547 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.649 5.434 -12.870 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.744 6.245 -14.170 1.00 0.00 H new ATOM 0 HD21 LEU A 58 101.012 6.223 -16.240 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.965 7.615 -15.873 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.735 7.782 -15.775 1.00 0.00 H new