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 41 ASN : amide:sc= -0.217 X(o=-0.075,f=-0.16) USER MOD Set 1.2: A 43 SER OG : rot 73:sc= 0.141 USER MOD Set 2.1: A 27 ASN : amide:sc= -0.223 X(o=-0.48,f=-0.00032) USER MOD Set 2.2: A 36 GLN : amide:sc= -0.257 X(o=-0.48,f=-0.00032) USER MOD Set 3.1: A 17 ASN : amide:sc= 0.389 K(o=1.5,f=-7!) USER MOD Set 3.2: A 19 SER OG : rot -89:sc= 1.07 USER MOD Single : A 9 SER OG : rot -140:sc= -2.32! USER MOD Single : A 10 ASN : amide:sc= -0.0436 K(o=-0.044,f=-2.3!) USER MOD Single : A 16 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -64:sc= 0.821 USER MOD Single : A 30 SER OG : rot 180:sc=-0.00332 USER MOD Single : A 31 SER OG : rot -41:sc= -0.596 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= -0.95 (180deg=-0.997) USER MOD Single : A 46 SER OG : rot 31:sc= 0.873 USER MOD Single : A 49 THR OG1 : rot -81:sc= -0.0289 USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0697) USER MOD Single : A 53 LYS NZ :NH3+ -139:sc= 1.03 (180deg=-0.186) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.784 2.968 -1.534 1.00 0.00 N ATOM 152 CA GLY A 8 101.564 3.830 -1.553 1.00 0.00 C ATOM 153 C GLY A 8 101.587 4.777 -2.766 1.00 0.00 C ATOM 154 O GLY A 8 100.685 5.577 -2.940 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.672 3.205 -1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.509 4.411 -0.632 1.00 0.00 H new ATOM 158 N SER A 9 102.602 4.700 -3.603 1.00 0.00 N ATOM 159 CA SER A 9 102.647 5.581 -4.813 1.00 0.00 C ATOM 160 C SER A 9 101.902 4.918 -5.975 1.00 0.00 C ATOM 161 O SER A 9 101.850 3.706 -6.074 1.00 0.00 O ATOM 162 CB SER A 9 104.133 5.738 -5.143 1.00 0.00 C ATOM 163 OG SER A 9 104.641 4.507 -5.643 1.00 0.00 O ATOM 0 H SER A 9 103.395 4.067 -3.498 1.00 0.00 H new ATOM 0 HA SER A 9 102.170 6.545 -4.638 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.271 6.527 -5.882 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.685 6.036 -4.252 1.00 0.00 H new ATOM 0 HG SER A 9 105.538 4.352 -5.281 1.00 0.00 H new ATOM 169 N ASN A 10 101.326 5.705 -6.852 1.00 0.00 N ATOM 170 CA ASN A 10 100.612 5.127 -8.030 1.00 0.00 C ATOM 171 C ASN A 10 101.532 5.128 -9.252 1.00 0.00 C ATOM 172 O ASN A 10 101.920 6.171 -9.747 1.00 0.00 O ATOM 173 CB ASN A 10 99.415 6.050 -8.264 1.00 0.00 C ATOM 174 CG ASN A 10 98.348 5.312 -9.076 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.664 4.516 -9.938 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.087 5.544 -8.834 1.00 0.00 N ATOM 0 H ASN A 10 101.321 6.724 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 10 100.303 4.096 -7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.000 6.374 -7.309 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.733 6.948 -8.794 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.367 5.057 -9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.821 6.212 -8.111 1.00 0.00 H new ATOM 183 N VAL A 11 101.880 3.963 -9.735 1.00 0.00 N ATOM 184 CA VAL A 11 102.743 3.870 -10.953 1.00 0.00 C ATOM 185 C VAL A 11 102.104 2.915 -11.963 1.00 0.00 C ATOM 186 O VAL A 11 101.222 2.149 -11.624 1.00 0.00 O ATOM 187 CB VAL A 11 104.098 3.325 -10.466 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.733 4.321 -9.493 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.908 1.978 -9.754 1.00 0.00 C ATOM 0 H VAL A 11 101.602 3.066 -9.336 1.00 0.00 H new ATOM 0 HA VAL A 11 102.864 4.834 -11.448 1.00 0.00 H new ATOM 0 HB VAL A 11 104.748 3.184 -11.330 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.692 3.933 -9.150 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.887 5.275 -9.998 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.073 4.465 -8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.875 1.606 -9.416 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.249 2.110 -8.896 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.465 1.261 -10.445 1.00 0.00 H new ATOM 199 N GLU A 12 102.539 2.956 -13.198 1.00 0.00 N ATOM 200 CA GLU A 12 102.073 1.945 -14.191 1.00 0.00 C ATOM 201 C GLU A 12 103.275 1.145 -14.698 1.00 0.00 C ATOM 202 O GLU A 12 104.366 1.665 -14.817 1.00 0.00 O ATOM 203 CB GLU A 12 101.439 2.763 -15.322 1.00 0.00 C ATOM 204 CG GLU A 12 100.886 1.826 -16.403 1.00 0.00 C ATOM 205 CD GLU A 12 100.292 2.652 -17.545 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.600 3.616 -17.258 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.539 2.309 -18.690 1.00 0.00 O ATOM 0 H GLU A 12 103.197 3.647 -13.560 1.00 0.00 H new ATOM 0 HA GLU A 12 101.363 1.231 -13.773 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.638 3.387 -14.925 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.180 3.434 -15.756 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.680 1.183 -16.781 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.123 1.174 -15.978 1.00 0.00 H new ATOM 214 N VAL A 13 103.081 -0.115 -14.987 1.00 0.00 N ATOM 215 CA VAL A 13 104.195 -0.939 -15.542 1.00 0.00 C ATOM 216 C VAL A 13 103.682 -1.780 -16.710 1.00 0.00 C ATOM 217 O VAL A 13 102.579 -2.294 -16.666 1.00 0.00 O ATOM 218 CB VAL A 13 104.657 -1.828 -14.373 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.568 -2.842 -13.999 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.921 -2.582 -14.781 1.00 0.00 C ATOM 0 H VAL A 13 102.198 -0.610 -14.862 1.00 0.00 H new ATOM 0 HA VAL A 13 105.016 -0.334 -15.927 1.00 0.00 H new ATOM 0 HB VAL A 13 104.858 -1.192 -13.511 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.915 -3.460 -13.171 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.664 -2.311 -13.701 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.351 -3.476 -14.859 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.251 -3.213 -13.955 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.709 -3.204 -15.650 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.707 -1.868 -15.029 1.00 0.00 H new ATOM 230 N LEU A 14 104.463 -1.927 -17.751 1.00 0.00 N ATOM 231 CA LEU A 14 104.071 -2.892 -18.822 1.00 0.00 C ATOM 232 C LEU A 14 104.758 -4.229 -18.585 1.00 0.00 C ATOM 233 O LEU A 14 105.934 -4.284 -18.272 1.00 0.00 O ATOM 234 CB LEU A 14 104.526 -2.319 -20.175 1.00 0.00 C ATOM 235 CG LEU A 14 104.115 -0.844 -20.387 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.902 -0.619 -21.887 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.821 -0.488 -19.637 1.00 0.00 C ATOM 0 H LEU A 14 105.340 -1.430 -17.904 1.00 0.00 H new ATOM 0 HA LEU A 14 102.991 -3.042 -18.815 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.610 -2.400 -20.249 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.105 -2.925 -20.978 1.00 0.00 H new ATOM 0 HG LEU A 14 104.907 -0.206 -19.994 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.611 0.417 -22.062 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.828 -0.831 -22.422 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.116 -1.283 -22.246 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.573 0.558 -19.816 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.008 -1.120 -19.994 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.964 -0.649 -18.568 1.00 0.00 H new ATOM 249 N LEU A 15 104.032 -5.303 -18.729 1.00 0.00 N ATOM 250 CA LEU A 15 104.654 -6.649 -18.563 1.00 0.00 C ATOM 251 C LEU A 15 105.335 -7.076 -19.867 1.00 0.00 C ATOM 252 O LEU A 15 105.284 -6.377 -20.863 1.00 0.00 O ATOM 253 CB LEU A 15 103.500 -7.598 -18.218 1.00 0.00 C ATOM 254 CG LEU A 15 102.871 -7.189 -16.882 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.576 -7.975 -16.667 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.844 -7.495 -15.742 1.00 0.00 C ATOM 0 H LEU A 15 103.037 -5.308 -18.954 1.00 0.00 H new ATOM 0 HA LEU A 15 105.418 -6.654 -17.786 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.748 -7.572 -19.007 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.866 -8.623 -18.159 1.00 0.00 H new ATOM 0 HG LEU A 15 102.653 -6.121 -16.897 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.128 -7.685 -15.717 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.880 -7.759 -17.478 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.796 -9.042 -16.653 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.395 -7.203 -14.792 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.063 -8.563 -15.727 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.768 -6.937 -15.893 1.00 0.00 H new ATOM 268 N ASN A 16 105.970 -8.223 -19.862 1.00 0.00 N ATOM 269 CA ASN A 16 106.723 -8.698 -21.077 1.00 0.00 C ATOM 270 C ASN A 16 105.800 -8.819 -22.302 1.00 0.00 C ATOM 271 O ASN A 16 106.258 -8.804 -23.430 1.00 0.00 O ATOM 272 CB ASN A 16 107.299 -10.073 -20.695 1.00 0.00 C ATOM 273 CG ASN A 16 106.171 -11.038 -20.305 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.289 -11.311 -21.094 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.164 -11.566 -19.112 1.00 0.00 N ATOM 0 H ASN A 16 106.002 -8.859 -19.065 1.00 0.00 H new ATOM 0 HA ASN A 16 107.504 -7.991 -21.356 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.863 -10.483 -21.533 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.996 -9.964 -19.864 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.418 -12.208 -18.843 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.904 -11.337 -18.449 1.00 0.00 H new ATOM 282 N ASN A 17 104.512 -8.939 -22.089 1.00 0.00 N ATOM 283 CA ASN A 17 103.573 -9.152 -23.235 1.00 0.00 C ATOM 284 C ASN A 17 102.895 -7.833 -23.650 1.00 0.00 C ATOM 285 O ASN A 17 101.820 -7.845 -24.219 1.00 0.00 O ATOM 286 CB ASN A 17 102.538 -10.169 -22.724 1.00 0.00 C ATOM 287 CG ASN A 17 101.748 -9.602 -21.533 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.145 -8.627 -20.928 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.636 -10.183 -21.172 1.00 0.00 N ATOM 0 H ASN A 17 104.070 -8.899 -21.171 1.00 0.00 H new ATOM 0 HA ASN A 17 104.093 -9.514 -24.122 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.851 -10.430 -23.529 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.043 -11.088 -22.426 1.00 0.00 H new ATOM 0 HD21 ASN A 17 100.103 -9.818 -20.383 1.00 0.00 H new ATOM 0 HD22 ASN A 17 100.301 -11.002 -21.679 1.00 0.00 H new ATOM 296 N ASP A 18 103.510 -6.695 -23.365 1.00 0.00 N ATOM 297 CA ASP A 18 102.953 -5.374 -23.822 1.00 0.00 C ATOM 298 C ASP A 18 101.531 -5.167 -23.283 1.00 0.00 C ATOM 299 O ASP A 18 100.741 -4.447 -23.865 1.00 0.00 O ATOM 300 CB ASP A 18 102.950 -5.415 -25.359 1.00 0.00 C ATOM 301 CG ASP A 18 104.388 -5.526 -25.876 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.246 -4.846 -25.337 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.605 -6.290 -26.803 1.00 0.00 O ATOM 0 H ASP A 18 104.378 -6.630 -22.833 1.00 0.00 H new ATOM 0 HA ASP A 18 103.555 -4.545 -23.450 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.361 -6.263 -25.709 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.479 -4.515 -25.755 1.00 0.00 H new ATOM 308 N SER A 19 101.202 -5.796 -22.176 1.00 0.00 N ATOM 309 CA SER A 19 99.924 -5.472 -21.479 1.00 0.00 C ATOM 310 C SER A 19 100.214 -4.483 -20.350 1.00 0.00 C ATOM 311 O SER A 19 101.137 -4.671 -19.579 1.00 0.00 O ATOM 312 CB SER A 19 99.418 -6.804 -20.923 1.00 0.00 C ATOM 313 OG SER A 19 100.247 -7.216 -19.842 1.00 0.00 O ATOM 0 H SER A 19 101.767 -6.519 -21.730 1.00 0.00 H new ATOM 0 HA SER A 19 99.183 -5.016 -22.136 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.387 -6.700 -20.585 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.422 -7.562 -21.707 1.00 0.00 H new ATOM 0 HG SER A 19 100.988 -7.757 -20.186 1.00 0.00 H new ATOM 319 N LYS A 20 99.436 -3.438 -20.246 1.00 0.00 N ATOM 320 CA LYS A 20 99.784 -2.339 -19.293 1.00 0.00 C ATOM 321 C LYS A 20 98.807 -2.323 -18.113 1.00 0.00 C ATOM 322 O LYS A 20 97.615 -2.505 -18.281 1.00 0.00 O ATOM 323 CB LYS A 20 99.657 -1.030 -20.096 1.00 0.00 C ATOM 324 CG LYS A 20 100.316 -1.165 -21.480 1.00 0.00 C ATOM 325 CD LYS A 20 100.365 0.206 -22.159 1.00 0.00 C ATOM 326 CE LYS A 20 100.928 0.055 -23.574 1.00 0.00 C ATOM 327 NZ LYS A 20 101.007 1.444 -24.105 1.00 0.00 N ATOM 0 H LYS A 20 98.577 -3.297 -20.777 1.00 0.00 H new ATOM 0 HA LYS A 20 100.786 -2.471 -18.885 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.604 -0.773 -20.214 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.125 -0.214 -19.545 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.324 -1.568 -21.377 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.754 -1.867 -22.095 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.366 0.640 -22.198 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.987 0.889 -21.580 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.909 -0.419 -23.560 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.282 -0.568 -24.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 101.385 1.424 -25.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.057 1.867 -24.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 101.634 2.012 -23.500 1.00 0.00 H new ATOM 341 N ALA A 21 99.312 -2.106 -16.922 1.00 0.00 N ATOM 342 CA ALA A 21 98.424 -1.993 -15.724 1.00 0.00 C ATOM 343 C ALA A 21 98.955 -0.913 -14.777 1.00 0.00 C ATOM 344 O ALA A 21 100.148 -0.690 -14.691 1.00 0.00 O ATOM 345 CB ALA A 21 98.483 -3.369 -15.058 1.00 0.00 C ATOM 0 H ALA A 21 100.308 -2.002 -16.728 1.00 0.00 H new ATOM 0 HA ALA A 21 97.404 -1.712 -15.987 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.855 -3.369 -14.167 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.124 -4.126 -15.755 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.512 -3.593 -14.777 1.00 0.00 H new ATOM 351 N ARG A 22 98.076 -0.244 -14.067 1.00 0.00 N ATOM 352 CA ARG A 22 98.521 0.857 -13.154 1.00 0.00 C ATOM 353 C ARG A 22 97.738 0.809 -11.839 1.00 0.00 C ATOM 354 O ARG A 22 96.583 0.429 -11.812 1.00 0.00 O ATOM 355 CB ARG A 22 98.237 2.165 -13.913 1.00 0.00 C ATOM 356 CG ARG A 22 96.742 2.280 -14.253 1.00 0.00 C ATOM 357 CD ARG A 22 96.529 3.422 -15.252 1.00 0.00 C ATOM 358 NE ARG A 22 96.394 4.661 -14.418 1.00 0.00 N ATOM 359 CZ ARG A 22 96.500 5.863 -14.952 1.00 0.00 C ATOM 360 NH1 ARG A 22 96.729 6.030 -16.235 1.00 0.00 N ATOM 361 NH2 ARG A 22 96.373 6.912 -14.187 1.00 0.00 N ATOM 0 H ARG A 22 97.070 -0.413 -14.081 1.00 0.00 H new ATOM 0 HA ARG A 22 99.576 0.768 -12.895 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.544 3.017 -13.307 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.827 2.196 -14.829 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.381 1.342 -14.675 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.166 2.464 -13.346 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.369 3.502 -15.942 1.00 0.00 H new ATOM 0 HD3 ARG A 22 95.636 3.255 -15.855 1.00 0.00 H new ATOM 0 HE ARG A 22 96.217 4.573 -13.417 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.829 5.219 -16.845 1.00 0.00 H new ATOM 0 HH12 ARG A 22 96.806 6.971 -16.621 1.00 0.00 H new ATOM 0 HH21 ARG A 22 96.194 6.797 -13.189 1.00 0.00 H new ATOM 0 HH22 ARG A 22 96.453 7.847 -14.586 1.00 0.00 H new ATOM 375 N GLY A 23 98.365 1.192 -10.752 1.00 0.00 N ATOM 376 CA GLY A 23 97.666 1.175 -9.432 1.00 0.00 C ATOM 377 C GLY A 23 98.632 1.640 -8.340 1.00 0.00 C ATOM 378 O GLY A 23 99.737 2.065 -8.625 1.00 0.00 O ATOM 0 H GLY A 23 99.332 1.516 -10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.793 1.827 -9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.307 0.170 -9.211 1.00 0.00 H new ATOM 382 N VAL A 24 98.227 1.560 -7.095 1.00 0.00 N ATOM 383 CA VAL A 24 99.097 2.050 -5.981 1.00 0.00 C ATOM 384 C VAL A 24 99.948 0.894 -5.441 1.00 0.00 C ATOM 385 O VAL A 24 99.488 -0.225 -5.334 1.00 0.00 O ATOM 386 CB VAL A 24 98.134 2.571 -4.901 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.934 3.160 -3.735 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.234 3.665 -5.488 1.00 0.00 C ATOM 0 H VAL A 24 97.329 1.175 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 24 99.784 2.831 -6.307 1.00 0.00 H new ATOM 0 HB VAL A 24 97.521 1.742 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.248 3.528 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.574 2.389 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.551 3.983 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.555 4.029 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.850 4.489 -5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.657 3.255 -6.317 1.00 0.00 H new ATOM 398 N ILE A 25 101.184 1.162 -5.102 1.00 0.00 N ATOM 399 CA ILE A 25 102.084 0.078 -4.587 1.00 0.00 C ATOM 400 C ILE A 25 101.802 -0.177 -3.101 1.00 0.00 C ATOM 401 O ILE A 25 101.590 0.746 -2.336 1.00 0.00 O ATOM 402 CB ILE A 25 103.515 0.609 -4.799 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.780 0.770 -6.302 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.546 -0.363 -4.199 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.079 1.551 -6.516 1.00 0.00 C ATOM 0 H ILE A 25 101.612 2.086 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 25 101.931 -0.871 -5.101 1.00 0.00 H new ATOM 0 HB ILE A 25 103.610 1.573 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.851 -0.209 -6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.948 1.293 -6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.551 0.028 -4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.364 -0.472 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.454 -1.335 -4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.264 1.663 -7.584 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.991 2.536 -6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.908 1.011 -6.059 1.00 0.00 H new ATOM 417 N THR A 26 101.801 -1.426 -2.694 1.00 0.00 N ATOM 418 CA THR A 26 101.532 -1.751 -1.259 1.00 0.00 C ATOM 419 C THR A 26 102.659 -2.601 -0.654 1.00 0.00 C ATOM 420 O THR A 26 102.996 -2.437 0.505 1.00 0.00 O ATOM 421 CB THR A 26 100.218 -2.534 -1.265 1.00 0.00 C ATOM 422 OG1 THR A 26 100.317 -3.618 -2.177 1.00 0.00 O ATOM 423 CG2 THR A 26 99.071 -1.612 -1.684 1.00 0.00 C ATOM 0 H THR A 26 101.975 -2.232 -3.294 1.00 0.00 H new ATOM 0 HA THR A 26 101.474 -0.847 -0.652 1.00 0.00 H new ATOM 0 HB THR A 26 100.021 -2.919 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.425 -3.271 -3.087 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.136 -2.173 -1.687 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.995 -0.783 -0.980 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.264 -1.222 -2.684 1.00 0.00 H new ATOM 431 N ASN A 27 103.246 -3.504 -1.413 1.00 0.00 N ATOM 432 CA ASN A 27 104.240 -4.445 -0.806 1.00 0.00 C ATOM 433 C ASN A 27 105.438 -4.655 -1.736 1.00 0.00 C ATOM 434 O ASN A 27 105.319 -4.578 -2.943 1.00 0.00 O ATOM 435 CB ASN A 27 103.476 -5.757 -0.616 1.00 0.00 C ATOM 436 CG ASN A 27 104.306 -6.711 0.245 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.875 -7.660 -0.256 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.398 -6.499 1.529 1.00 0.00 N ATOM 0 H ASN A 27 103.081 -3.626 -2.412 1.00 0.00 H new ATOM 0 HA ASN A 27 104.641 -4.059 0.131 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.514 -5.564 -0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.267 -6.212 -1.584 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.948 -7.130 2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.920 -5.702 1.950 1.00 0.00 H new ATOM 445 N PHE A 28 106.589 -4.916 -1.167 1.00 0.00 N ATOM 446 CA PHE A 28 107.789 -5.264 -1.986 1.00 0.00 C ATOM 447 C PHE A 28 108.691 -6.215 -1.196 1.00 0.00 C ATOM 448 O PHE A 28 108.971 -5.992 -0.032 1.00 0.00 O ATOM 449 CB PHE A 28 108.497 -3.935 -2.244 1.00 0.00 C ATOM 450 CG PHE A 28 109.627 -4.040 -3.239 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.348 -4.327 -4.598 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.965 -3.848 -2.815 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.408 -4.423 -5.533 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.024 -3.945 -3.751 1.00 0.00 C ATOM 455 CZ PHE A 28 111.746 -4.232 -5.109 1.00 0.00 C ATOM 0 H PHE A 28 106.749 -4.902 -0.160 1.00 0.00 H new ATOM 0 HA PHE A 28 107.529 -5.765 -2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.770 -3.209 -2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.887 -3.551 -1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.328 -4.473 -4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.178 -3.628 -1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.196 -4.642 -6.569 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.044 -3.800 -3.428 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.554 -4.305 -5.822 1.00 0.00 H new ATOM 465 N ASP A 29 109.144 -7.271 -1.822 1.00 0.00 N ATOM 466 CA ASP A 29 109.961 -8.292 -1.099 1.00 0.00 C ATOM 467 C ASP A 29 111.321 -8.447 -1.780 1.00 0.00 C ATOM 468 O ASP A 29 111.396 -8.739 -2.956 1.00 0.00 O ATOM 469 CB ASP A 29 109.154 -9.588 -1.203 1.00 0.00 C ATOM 470 CG ASP A 29 109.783 -10.665 -0.313 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.202 -10.332 0.784 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.832 -11.804 -0.745 1.00 0.00 O ATOM 0 H ASP A 29 108.982 -7.471 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 29 110.153 -8.016 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.122 -9.410 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.128 -9.929 -2.238 1.00 0.00 H new ATOM 477 N SER A 30 112.390 -8.252 -1.048 1.00 0.00 N ATOM 478 CA SER A 30 113.755 -8.333 -1.664 1.00 0.00 C ATOM 479 C SER A 30 114.154 -9.793 -1.909 1.00 0.00 C ATOM 480 O SER A 30 114.888 -10.092 -2.833 1.00 0.00 O ATOM 481 CB SER A 30 114.696 -7.686 -0.647 1.00 0.00 C ATOM 482 OG SER A 30 114.768 -8.503 0.515 1.00 0.00 O ATOM 0 H SER A 30 112.379 -8.040 -0.050 1.00 0.00 H new ATOM 0 HA SER A 30 113.791 -7.831 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.688 -7.562 -1.080 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.337 -6.691 -0.384 1.00 0.00 H new ATOM 0 HG SER A 30 115.372 -8.091 1.168 1.00 0.00 H new ATOM 488 N SER A 31 113.678 -10.701 -1.089 1.00 0.00 N ATOM 489 CA SER A 31 114.095 -12.135 -1.223 1.00 0.00 C ATOM 490 C SER A 31 113.568 -12.733 -2.533 1.00 0.00 C ATOM 491 O SER A 31 114.250 -13.499 -3.188 1.00 0.00 O ATOM 492 CB SER A 31 113.478 -12.854 -0.022 1.00 0.00 C ATOM 493 OG SER A 31 112.064 -12.881 -0.164 1.00 0.00 O ATOM 0 H SER A 31 113.019 -10.512 -0.333 1.00 0.00 H new ATOM 0 HA SER A 31 115.180 -12.237 -1.244 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.867 -13.870 0.047 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.752 -12.344 0.902 1.00 0.00 H new ATOM 0 HG SER A 31 111.753 -12.017 -0.506 1.00 0.00 H new ATOM 499 N ASN A 32 112.362 -12.387 -2.915 1.00 0.00 N ATOM 500 CA ASN A 32 111.772 -12.954 -4.172 1.00 0.00 C ATOM 501 C ASN A 32 111.337 -11.841 -5.143 1.00 0.00 C ATOM 502 O ASN A 32 110.793 -12.118 -6.195 1.00 0.00 O ATOM 503 CB ASN A 32 110.556 -13.757 -3.709 1.00 0.00 C ATOM 504 CG ASN A 32 111.016 -14.961 -2.881 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.044 -15.548 -3.158 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.291 -15.358 -1.872 1.00 0.00 N ATOM 0 H ASN A 32 111.759 -11.736 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 32 112.497 -13.563 -4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.896 -13.125 -3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.982 -14.095 -4.572 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.587 -16.160 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.428 -14.866 -1.639 1.00 0.00 H new ATOM 513 N SER A 33 111.570 -10.586 -4.803 1.00 0.00 N ATOM 514 CA SER A 33 111.144 -9.444 -5.689 1.00 0.00 C ATOM 515 C SER A 33 109.657 -9.565 -6.065 1.00 0.00 C ATOM 516 O SER A 33 109.309 -9.786 -7.212 1.00 0.00 O ATOM 517 CB SER A 33 112.036 -9.537 -6.933 1.00 0.00 C ATOM 518 OG SER A 33 113.387 -9.731 -6.530 1.00 0.00 O ATOM 0 H SER A 33 112.041 -10.304 -3.943 1.00 0.00 H new ATOM 0 HA SER A 33 111.253 -8.482 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.711 -10.363 -7.566 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.949 -8.627 -7.526 1.00 0.00 H new ATOM 0 HG SER A 33 113.959 -9.793 -7.323 1.00 0.00 H new ATOM 524 N ILE A 34 108.784 -9.420 -5.097 1.00 0.00 N ATOM 525 CA ILE A 34 107.315 -9.525 -5.377 1.00 0.00 C ATOM 526 C ILE A 34 106.626 -8.203 -5.018 1.00 0.00 C ATOM 527 O ILE A 34 106.858 -7.641 -3.963 1.00 0.00 O ATOM 528 CB ILE A 34 106.800 -10.670 -4.486 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.611 -11.963 -4.735 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.319 -10.931 -4.783 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.495 -12.428 -6.199 1.00 0.00 C ATOM 0 H ILE A 34 109.025 -9.233 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 34 107.109 -9.723 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 34 106.920 -10.377 -3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.659 -11.790 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.254 -12.751 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.958 -11.742 -4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.743 -10.028 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.201 -11.208 -5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.077 -13.339 -6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.450 -12.625 -6.436 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.876 -11.649 -6.859 1.00 0.00 H new ATOM 543 N LEU A 35 105.781 -7.709 -5.890 1.00 0.00 N ATOM 544 CA LEU A 35 105.155 -6.368 -5.671 1.00 0.00 C ATOM 545 C LEU A 35 103.630 -6.482 -5.730 1.00 0.00 C ATOM 546 O LEU A 35 103.074 -6.965 -6.699 1.00 0.00 O ATOM 547 CB LEU A 35 105.675 -5.511 -6.828 1.00 0.00 C ATOM 548 CG LEU A 35 105.215 -4.060 -6.655 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.204 -3.307 -5.764 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.147 -3.384 -8.026 1.00 0.00 C ATOM 0 H LEU A 35 105.497 -8.180 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 35 105.402 -5.943 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.764 -5.554 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.310 -5.906 -7.776 1.00 0.00 H new ATOM 0 HG LEU A 35 104.230 -4.046 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.873 -2.275 -5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.253 -3.788 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.192 -3.320 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.820 -2.351 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.133 -3.401 -8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.439 -3.918 -8.660 1.00 0.00 H new ATOM 562 N GLN A 36 102.957 -6.040 -4.697 1.00 0.00 N ATOM 563 CA GLN A 36 101.466 -6.009 -4.727 1.00 0.00 C ATOM 564 C GLN A 36 100.983 -4.599 -5.069 1.00 0.00 C ATOM 565 O GLN A 36 101.406 -3.629 -4.466 1.00 0.00 O ATOM 566 CB GLN A 36 101.027 -6.400 -3.315 1.00 0.00 C ATOM 567 CG GLN A 36 101.309 -7.886 -3.087 1.00 0.00 C ATOM 568 CD GLN A 36 100.820 -8.291 -1.696 1.00 0.00 C ATOM 569 OE1 GLN A 36 99.637 -8.478 -1.486 1.00 0.00 O ATOM 570 NE2 GLN A 36 101.685 -8.436 -0.730 1.00 0.00 N ATOM 0 H GLN A 36 103.379 -5.699 -3.833 1.00 0.00 H new ATOM 0 HA GLN A 36 101.052 -6.682 -5.478 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.560 -5.800 -2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.964 -6.196 -3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.807 -8.483 -3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.377 -8.083 -3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 36 102.677 -8.279 -0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 36 101.369 -8.706 0.201 1.00 0.00 H new ATOM 579 N LEU A 37 100.103 -4.485 -6.035 1.00 0.00 N ATOM 580 CA LEU A 37 99.550 -3.147 -6.401 1.00 0.00 C ATOM 581 C LEU A 37 98.075 -3.068 -6.006 1.00 0.00 C ATOM 582 O LEU A 37 97.259 -3.843 -6.471 1.00 0.00 O ATOM 583 CB LEU A 37 99.694 -3.045 -7.924 1.00 0.00 C ATOM 584 CG LEU A 37 101.175 -3.080 -8.324 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.284 -3.141 -9.851 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.880 -1.817 -7.818 1.00 0.00 C ATOM 0 H LEU A 37 99.744 -5.265 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 37 100.071 -2.337 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.162 -3.868 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.237 -2.121 -8.278 1.00 0.00 H new ATOM 0 HG LEU A 37 101.647 -3.958 -7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.335 -3.166 -10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 37 100.786 -4.039 -10.216 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.809 -2.261 -10.285 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.931 -1.847 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.409 -0.937 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.802 -1.767 -6.732 1.00 0.00 H new ATOM 598 N ARG A 38 97.732 -2.138 -5.150 1.00 0.00 N ATOM 599 CA ARG A 38 96.297 -1.954 -4.771 1.00 0.00 C ATOM 600 C ARG A 38 95.680 -0.831 -5.610 1.00 0.00 C ATOM 601 O ARG A 38 96.180 0.278 -5.638 1.00 0.00 O ATOM 602 CB ARG A 38 96.318 -1.580 -3.288 1.00 0.00 C ATOM 603 CG ARG A 38 94.886 -1.517 -2.750 1.00 0.00 C ATOM 604 CD ARG A 38 94.909 -1.073 -1.285 1.00 0.00 C ATOM 605 NE ARG A 38 93.487 -1.167 -0.828 1.00 0.00 N ATOM 606 CZ ARG A 38 92.925 -2.328 -0.548 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.580 -3.459 -0.675 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.684 -2.353 -0.142 1.00 0.00 N ATOM 0 H ARG A 38 98.384 -1.498 -4.697 1.00 0.00 H new ATOM 0 HA ARG A 38 95.700 -2.849 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.896 -2.314 -2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.810 -0.617 -3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.294 -0.820 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.410 -2.494 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.558 -1.714 -0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.288 -0.056 -1.187 1.00 0.00 H new ATOM 0 HE ARG A 38 92.938 -0.313 -0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.548 -3.454 -0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.121 -4.342 -0.452 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.162 -1.482 -0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.237 -3.243 0.078 1.00 0.00 H new ATOM 622 N LEU A 39 94.598 -1.115 -6.289 1.00 0.00 N ATOM 623 CA LEU A 39 94.007 -0.114 -7.228 1.00 0.00 C ATOM 624 C LEU A 39 92.787 0.567 -6.599 1.00 0.00 C ATOM 625 O LEU A 39 92.090 -0.010 -5.782 1.00 0.00 O ATOM 626 CB LEU A 39 93.610 -0.928 -8.464 1.00 0.00 C ATOM 627 CG LEU A 39 93.244 0.004 -9.629 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.437 0.890 -9.998 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.875 -0.847 -10.844 1.00 0.00 C ATOM 0 H LEU A 39 94.096 -2.001 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 39 94.705 0.686 -7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.433 -1.580 -8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.763 -1.572 -8.226 1.00 0.00 H new ATOM 0 HG LEU A 39 92.407 0.635 -9.330 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.162 1.545 -10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.722 1.494 -9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.278 0.263 -10.296 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.613 -0.196 -11.678 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.724 -1.470 -11.123 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.024 -1.482 -10.598 1.00 0.00 H new ATOM 641 N ALA A 40 92.528 1.796 -6.989 1.00 0.00 N ATOM 642 CA ALA A 40 91.449 2.606 -6.328 1.00 0.00 C ATOM 643 C ALA A 40 90.054 1.994 -6.548 1.00 0.00 C ATOM 644 O ALA A 40 89.087 2.437 -5.954 1.00 0.00 O ATOM 645 CB ALA A 40 91.526 3.988 -6.980 1.00 0.00 C ATOM 0 H ALA A 40 93.021 2.276 -7.742 1.00 0.00 H new ATOM 0 HA ALA A 40 91.596 2.642 -5.249 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.765 4.638 -6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.512 4.418 -6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.355 3.894 -8.052 1.00 0.00 H new ATOM 651 N ASN A 41 89.934 0.989 -7.387 1.00 0.00 N ATOM 652 CA ASN A 41 88.613 0.304 -7.565 1.00 0.00 C ATOM 653 C ASN A 41 88.418 -0.805 -6.512 1.00 0.00 C ATOM 654 O ASN A 41 87.747 -1.787 -6.768 1.00 0.00 O ATOM 655 CB ASN A 41 88.669 -0.305 -8.968 1.00 0.00 C ATOM 656 CG ASN A 41 87.256 -0.683 -9.418 1.00 0.00 C ATOM 657 OD1 ASN A 41 86.409 0.173 -9.582 1.00 0.00 O ATOM 658 ND2 ASN A 41 86.964 -1.938 -9.625 1.00 0.00 N ATOM 0 H ASN A 41 90.694 0.615 -7.955 1.00 0.00 H new ATOM 0 HA ASN A 41 87.781 0.998 -7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.107 0.407 -9.668 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.310 -1.187 -8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 41 86.025 -2.200 -9.924 1.00 0.00 H new ATOM 0 HD22 ASN A 41 87.675 -2.656 -9.487 1.00 0.00 H new ATOM 665 N ASP A 42 88.997 -0.665 -5.327 1.00 0.00 N ATOM 666 CA ASP A 42 88.804 -1.686 -4.239 1.00 0.00 C ATOM 667 C ASP A 42 89.319 -3.059 -4.693 1.00 0.00 C ATOM 668 O ASP A 42 88.845 -4.083 -4.233 1.00 0.00 O ATOM 669 CB ASP A 42 87.293 -1.741 -3.972 1.00 0.00 C ATOM 670 CG ASP A 42 87.038 -2.418 -2.625 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.107 -1.733 -1.617 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.777 -3.610 -2.623 1.00 0.00 O ATOM 0 H ASP A 42 89.597 0.119 -5.072 1.00 0.00 H new ATOM 0 HA ASP A 42 89.358 -1.418 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.876 -0.734 -3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.792 -2.291 -4.768 1.00 0.00 H new ATOM 677 N SER A 43 90.283 -3.091 -5.590 1.00 0.00 N ATOM 678 CA SER A 43 90.839 -4.400 -6.052 1.00 0.00 C ATOM 679 C SER A 43 92.344 -4.459 -5.778 1.00 0.00 C ATOM 680 O SER A 43 93.047 -3.477 -5.926 1.00 0.00 O ATOM 681 CB SER A 43 90.563 -4.440 -7.554 1.00 0.00 C ATOM 682 OG SER A 43 89.160 -4.403 -7.775 1.00 0.00 O ATOM 0 H SER A 43 90.705 -2.267 -6.018 1.00 0.00 H new ATOM 0 HA SER A 43 90.389 -5.247 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.043 -3.594 -8.046 1.00 0.00 H new ATOM 0 HB3 SER A 43 90.988 -5.345 -7.989 1.00 0.00 H new ATOM 0 HG SER A 43 88.822 -3.504 -7.582 1.00 0.00 H new ATOM 688 N THR A 44 92.839 -5.606 -5.380 1.00 0.00 N ATOM 689 CA THR A 44 94.302 -5.746 -5.098 1.00 0.00 C ATOM 690 C THR A 44 94.867 -6.969 -5.829 1.00 0.00 C ATOM 691 O THR A 44 94.205 -7.983 -5.959 1.00 0.00 O ATOM 692 CB THR A 44 94.412 -5.913 -3.573 1.00 0.00 C ATOM 693 OG1 THR A 44 95.779 -6.053 -3.215 1.00 0.00 O ATOM 694 CG2 THR A 44 93.633 -7.151 -3.108 1.00 0.00 C ATOM 0 H THR A 44 92.291 -6.454 -5.238 1.00 0.00 H new ATOM 0 HA THR A 44 94.872 -4.884 -5.444 1.00 0.00 H new ATOM 0 HB THR A 44 93.988 -5.032 -3.091 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.854 -6.158 -2.244 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.723 -7.252 -2.026 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.582 -7.042 -3.376 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.040 -8.040 -3.591 1.00 0.00 H new ATOM 702 N LYS A 45 96.086 -6.878 -6.304 1.00 0.00 N ATOM 703 CA LYS A 45 96.692 -8.021 -7.054 1.00 0.00 C ATOM 704 C LYS A 45 98.189 -8.126 -6.745 1.00 0.00 C ATOM 705 O LYS A 45 98.885 -7.130 -6.674 1.00 0.00 O ATOM 706 CB LYS A 45 96.470 -7.687 -8.530 1.00 0.00 C ATOM 707 CG LYS A 45 96.834 -8.899 -9.389 1.00 0.00 C ATOM 708 CD LYS A 45 96.645 -8.554 -10.867 1.00 0.00 C ATOM 709 CE LYS A 45 96.781 -9.823 -11.711 1.00 0.00 C ATOM 710 NZ LYS A 45 98.247 -10.066 -11.807 1.00 0.00 N ATOM 0 H LYS A 45 96.687 -6.060 -6.204 1.00 0.00 H new ATOM 0 HA LYS A 45 96.246 -8.977 -6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.430 -7.408 -8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.080 -6.830 -8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 45 97.867 -9.193 -9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.207 -9.749 -9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.665 -8.104 -11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.387 -7.818 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 45 96.271 -10.665 -11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.337 -9.690 -12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 98.430 -10.815 -12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 98.725 -9.191 -12.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 98.611 -10.362 -10.879 1.00 0.00 H new ATOM 724 N SER A 46 98.682 -9.327 -6.564 1.00 0.00 N ATOM 725 CA SER A 46 100.142 -9.515 -6.306 1.00 0.00 C ATOM 726 C SER A 46 100.853 -9.928 -7.598 1.00 0.00 C ATOM 727 O SER A 46 100.506 -10.920 -8.213 1.00 0.00 O ATOM 728 CB SER A 46 100.220 -10.633 -5.268 1.00 0.00 C ATOM 729 OG SER A 46 99.775 -11.850 -5.853 1.00 0.00 O ATOM 0 H SER A 46 98.134 -10.187 -6.584 1.00 0.00 H new ATOM 0 HA SER A 46 100.623 -8.602 -5.955 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.244 -10.741 -4.910 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.604 -10.385 -4.403 1.00 0.00 H new ATOM 0 HG SER A 46 99.993 -11.853 -6.808 1.00 0.00 H new ATOM 735 N ILE A 47 101.844 -9.174 -8.010 1.00 0.00 N ATOM 736 CA ILE A 47 102.575 -9.506 -9.272 1.00 0.00 C ATOM 737 C ILE A 47 104.082 -9.528 -8.998 1.00 0.00 C ATOM 738 O ILE A 47 104.622 -8.616 -8.400 1.00 0.00 O ATOM 739 CB ILE A 47 102.212 -8.386 -10.263 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.694 -8.361 -10.488 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.910 -8.633 -11.605 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.305 -7.079 -11.227 1.00 0.00 C ATOM 0 H ILE A 47 102.178 -8.341 -7.525 1.00 0.00 H new ATOM 0 HA ILE A 47 102.304 -10.485 -9.668 1.00 0.00 H new ATOM 0 HB ILE A 47 102.538 -7.432 -9.849 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.388 -9.233 -11.066 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.174 -8.413 -9.532 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.649 -7.837 -12.303 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.990 -8.646 -11.457 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.588 -9.592 -12.012 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.227 -7.063 -11.386 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.597 -6.213 -10.632 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.814 -7.046 -12.190 1.00 0.00 H new ATOM 754 N VAL A 48 104.760 -10.561 -9.433 1.00 0.00 N ATOM 755 CA VAL A 48 106.240 -10.630 -9.223 1.00 0.00 C ATOM 756 C VAL A 48 106.933 -9.671 -10.197 1.00 0.00 C ATOM 757 O VAL A 48 106.593 -9.605 -11.360 1.00 0.00 O ATOM 758 CB VAL A 48 106.648 -12.088 -9.503 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.139 -12.277 -9.187 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.807 -13.052 -8.645 1.00 0.00 C ATOM 0 H VAL A 48 104.354 -11.358 -9.923 1.00 0.00 H new ATOM 0 HA VAL A 48 106.527 -10.340 -8.212 1.00 0.00 H new ATOM 0 HB VAL A 48 106.470 -12.309 -10.555 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.425 -13.310 -9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.731 -11.609 -9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.321 -12.046 -8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.106 -14.079 -8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.968 -12.834 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.751 -12.926 -8.885 1.00 0.00 H new ATOM 770 N THR A 49 107.901 -8.931 -9.723 1.00 0.00 N ATOM 771 CA THR A 49 108.522 -7.855 -10.565 1.00 0.00 C ATOM 772 C THR A 49 109.240 -8.442 -11.786 1.00 0.00 C ATOM 773 O THR A 49 109.413 -7.771 -12.785 1.00 0.00 O ATOM 774 CB THR A 49 109.519 -7.132 -9.652 1.00 0.00 C ATOM 775 OG1 THR A 49 110.463 -8.068 -9.152 1.00 0.00 O ATOM 776 CG2 THR A 49 108.775 -6.478 -8.484 1.00 0.00 C ATOM 0 H THR A 49 108.293 -9.023 -8.786 1.00 0.00 H new ATOM 0 HA THR A 49 107.762 -7.177 -10.954 1.00 0.00 H new ATOM 0 HB THR A 49 110.036 -6.360 -10.222 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.077 -8.545 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.489 -5.966 -7.839 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.053 -5.758 -8.870 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.253 -7.244 -7.911 1.00 0.00 H new ATOM 784 N LYS A 50 109.661 -9.683 -11.718 1.00 0.00 N ATOM 785 CA LYS A 50 110.461 -10.274 -12.845 1.00 0.00 C ATOM 786 C LYS A 50 109.678 -10.208 -14.163 1.00 0.00 C ATOM 787 O LYS A 50 110.260 -10.204 -15.233 1.00 0.00 O ATOM 788 CB LYS A 50 110.725 -11.738 -12.457 1.00 0.00 C ATOM 789 CG LYS A 50 111.584 -11.816 -11.184 1.00 0.00 C ATOM 790 CD LYS A 50 111.711 -13.278 -10.742 1.00 0.00 C ATOM 791 CE LYS A 50 112.690 -14.006 -11.665 1.00 0.00 C ATOM 792 NZ LYS A 50 114.038 -13.701 -11.112 1.00 0.00 N ATOM 0 H LYS A 50 109.487 -10.313 -10.935 1.00 0.00 H new ATOM 0 HA LYS A 50 111.389 -9.724 -12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.778 -12.253 -12.295 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.231 -12.251 -13.275 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.572 -11.395 -11.372 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.131 -11.223 -10.390 1.00 0.00 H new ATOM 0 HD2 LYS A 50 112.061 -13.328 -9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 50 110.736 -13.764 -10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.500 -15.079 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 50 112.597 -13.657 -12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 114.714 -13.579 -11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.994 -12.825 -10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 114.349 -14.485 -10.504 1.00 0.00 H new ATOM 806 N ASP A 51 108.369 -10.157 -14.095 1.00 0.00 N ATOM 807 CA ASP A 51 107.562 -9.999 -15.349 1.00 0.00 C ATOM 808 C ASP A 51 107.375 -8.513 -15.713 1.00 0.00 C ATOM 809 O ASP A 51 106.607 -8.186 -16.600 1.00 0.00 O ATOM 810 CB ASP A 51 106.207 -10.679 -15.073 1.00 0.00 C ATOM 811 CG ASP A 51 105.498 -10.039 -13.871 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.407 -8.824 -13.830 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.055 -10.783 -13.012 1.00 0.00 O ATOM 0 H ASP A 51 107.827 -10.217 -13.233 1.00 0.00 H new ATOM 0 HA ASP A 51 108.067 -10.455 -16.200 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.572 -10.602 -15.956 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.362 -11.741 -14.883 1.00 0.00 H new ATOM 818 N ILE A 52 108.067 -7.611 -15.043 1.00 0.00 N ATOM 819 CA ILE A 52 108.012 -6.167 -15.448 1.00 0.00 C ATOM 820 C ILE A 52 108.884 -5.942 -16.688 1.00 0.00 C ATOM 821 O ILE A 52 110.095 -6.058 -16.633 1.00 0.00 O ATOM 822 CB ILE A 52 108.559 -5.376 -14.245 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.607 -5.544 -13.048 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.685 -3.883 -14.609 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.205 -4.875 -11.803 1.00 0.00 C ATOM 0 H ILE A 52 108.662 -7.814 -14.240 1.00 0.00 H new ATOM 0 HA ILE A 52 107.001 -5.849 -15.703 1.00 0.00 H new ATOM 0 HB ILE A 52 109.545 -5.758 -13.981 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.638 -5.101 -13.279 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.436 -6.603 -12.855 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.072 -3.331 -13.753 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.367 -3.770 -15.452 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.705 -3.491 -14.880 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.524 -4.999 -10.961 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.163 -5.338 -11.566 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.353 -3.813 -11.996 1.00 0.00 H new ATOM 837 N LYS A 53 108.271 -5.622 -17.800 1.00 0.00 N ATOM 838 CA LYS A 53 109.063 -5.203 -18.999 1.00 0.00 C ATOM 839 C LYS A 53 109.435 -3.723 -18.896 1.00 0.00 C ATOM 840 O LYS A 53 110.535 -3.328 -19.239 1.00 0.00 O ATOM 841 CB LYS A 53 108.148 -5.438 -20.201 1.00 0.00 C ATOM 842 CG LYS A 53 108.942 -5.245 -21.496 1.00 0.00 C ATOM 843 CD LYS A 53 108.013 -5.430 -22.698 1.00 0.00 C ATOM 844 CE LYS A 53 108.837 -5.400 -23.988 1.00 0.00 C ATOM 845 NZ LYS A 53 107.885 -4.951 -25.042 1.00 0.00 N ATOM 0 H LYS A 53 107.259 -5.632 -17.930 1.00 0.00 H new ATOM 0 HA LYS A 53 109.993 -5.765 -19.085 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.733 -6.445 -20.164 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.307 -4.745 -20.172 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.387 -4.250 -21.517 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.762 -5.962 -21.543 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.479 -6.377 -22.617 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.261 -4.641 -22.715 1.00 0.00 H new ATOM 0 HE2 LYS A 53 109.681 -4.716 -23.901 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.246 -6.384 -24.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.042 -5.503 -25.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 106.909 -5.094 -24.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 108.039 -3.942 -25.241 1.00 0.00 H new ATOM 859 N ASP A 54 108.526 -2.903 -18.425 1.00 0.00 N ATOM 860 CA ASP A 54 108.771 -1.421 -18.435 1.00 0.00 C ATOM 861 C ASP A 54 108.030 -0.739 -17.283 1.00 0.00 C ATOM 862 O ASP A 54 106.928 -1.116 -16.940 1.00 0.00 O ATOM 863 CB ASP A 54 108.224 -0.929 -19.777 1.00 0.00 C ATOM 864 CG ASP A 54 109.093 -1.462 -20.918 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.303 -1.344 -20.819 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.533 -1.979 -21.871 1.00 0.00 O ATOM 0 H ASP A 54 107.629 -3.191 -18.035 1.00 0.00 H new ATOM 0 HA ASP A 54 109.829 -1.190 -18.311 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.194 -1.263 -19.905 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.210 0.161 -19.797 1.00 0.00 H new ATOM 871 N LEU A 55 108.631 0.268 -16.691 1.00 0.00 N ATOM 872 CA LEU A 55 108.005 0.940 -15.510 1.00 0.00 C ATOM 873 C LEU A 55 107.833 2.444 -15.764 1.00 0.00 C ATOM 874 O LEU A 55 108.659 3.070 -16.403 1.00 0.00 O ATOM 875 CB LEU A 55 108.990 0.723 -14.359 1.00 0.00 C ATOM 876 CG LEU A 55 108.898 -0.720 -13.859 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.229 -1.129 -13.224 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.785 -0.828 -12.812 1.00 0.00 C ATOM 0 H LEU A 55 109.531 0.653 -16.978 1.00 0.00 H new ATOM 0 HA LEU A 55 107.015 0.535 -15.299 1.00 0.00 H new ATOM 0 HB2 LEU A 55 110.005 0.937 -14.693 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.769 1.414 -13.545 1.00 0.00 H new ATOM 0 HG LEU A 55 108.677 -1.379 -14.699 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.162 -2.157 -12.868 1.00 0.00 H new ATOM 0 HD12 LEU A 55 111.024 -1.053 -13.965 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.450 -0.469 -12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.719 -1.856 -12.456 1.00 0.00 H new ATOM 0 HD22 LEU A 55 108.008 -0.167 -11.974 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.835 -0.538 -13.260 1.00 0.00 H new ATOM 890 N ARG A 56 106.764 3.019 -15.268 1.00 0.00 N ATOM 891 CA ARG A 56 106.620 4.508 -15.293 1.00 0.00 C ATOM 892 C ARG A 56 105.828 4.980 -14.065 1.00 0.00 C ATOM 893 O ARG A 56 105.103 4.215 -13.456 1.00 0.00 O ATOM 894 CB ARG A 56 105.868 4.827 -16.596 1.00 0.00 C ATOM 895 CG ARG A 56 104.452 4.237 -16.557 1.00 0.00 C ATOM 896 CD ARG A 56 103.727 4.550 -17.870 1.00 0.00 C ATOM 897 NE ARG A 56 104.472 3.795 -18.929 1.00 0.00 N ATOM 898 CZ ARG A 56 104.335 4.088 -20.208 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.535 5.048 -20.614 1.00 0.00 N ATOM 900 NH2 ARG A 56 105.008 3.405 -21.092 1.00 0.00 N ATOM 0 H ARG A 56 105.982 2.519 -14.845 1.00 0.00 H new ATOM 0 HA ARG A 56 107.583 5.017 -15.260 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.815 5.906 -16.737 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.414 4.421 -17.447 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.501 3.159 -16.405 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.897 4.653 -15.716 1.00 0.00 H new ATOM 0 HD2 ARG A 56 102.684 4.238 -17.826 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.731 5.621 -18.075 1.00 0.00 H new ATOM 0 HE ARG A 56 105.099 3.038 -18.655 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.000 5.588 -19.934 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.449 5.253 -21.609 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.631 2.655 -20.791 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.912 3.621 -22.084 1.00 0.00 H new ATOM 914 N ILE A 57 105.964 6.232 -13.703 1.00 0.00 N ATOM 915 CA ILE A 57 105.160 6.785 -12.565 1.00 0.00 C ATOM 916 C ILE A 57 104.179 7.835 -13.099 1.00 0.00 C ATOM 917 O ILE A 57 104.558 8.732 -13.829 1.00 0.00 O ATOM 918 CB ILE A 57 106.183 7.420 -11.607 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.182 6.354 -11.133 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.454 8.002 -10.389 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.336 7.022 -10.380 1.00 0.00 C ATOM 0 H ILE A 57 106.598 6.897 -14.146 1.00 0.00 H new ATOM 0 HA ILE A 57 104.572 6.021 -12.057 1.00 0.00 H new ATOM 0 HB ILE A 57 106.717 8.213 -12.130 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.681 5.635 -10.485 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.567 5.798 -11.988 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.180 8.451 -9.711 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.745 8.762 -10.718 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.918 7.206 -9.871 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.041 6.261 -10.046 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.845 7.723 -11.042 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.944 7.558 -9.515 1.00 0.00 H new ATOM 933 N LEU A 58 102.922 7.726 -12.740 1.00 0.00 N ATOM 934 CA LEU A 58 101.890 8.648 -13.311 1.00 0.00 C ATOM 935 C LEU A 58 101.764 9.905 -12.431 1.00 0.00 C ATOM 936 O LEU A 58 101.762 9.797 -11.219 1.00 0.00 O ATOM 937 CB LEU A 58 100.579 7.853 -13.300 1.00 0.00 C ATOM 938 CG LEU A 58 100.710 6.608 -14.186 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.577 5.631 -13.865 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.632 7.014 -15.659 1.00 0.00 C ATOM 0 H LEU A 58 102.566 7.038 -12.076 1.00 0.00 H new ATOM 0 HA LEU A 58 102.149 8.981 -14.316 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.332 7.559 -12.280 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.762 8.479 -13.658 1.00 0.00 H new ATOM 0 HG LEU A 58 101.670 6.128 -13.994 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.670 4.746 -14.495 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.635 5.338 -12.817 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.617 6.112 -14.055 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.725 6.127 -16.286 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.674 7.497 -15.853 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.441 7.708 -15.889 1.00 0.00 H new