USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=15 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 27 ASN : amide:sc= -0.785 K(o=-2,f=-9.5!) USER MOD Set 1.2: A 36 GLN : amide:sc= -1.24 K(o=-2,f=-9.7!) USER MOD Set 2.1: A 33 SER OG : rot -4:sc= 0.492 USER MOD Set 2.2: A 49 THR OG1 : rot -77:sc= 0.187 USER MOD Set 3.1: A 17 ASN : amide:sc= 0.424 K(o=1.2,f=-7.5!) USER MOD Set 3.2: A 19 SER OG : rot -78:sc= 0.78 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.282 K(o=-0.28,f=-3.4!) USER MOD Single : A 16 ASN : amide:sc= -1.29 K(o=-1.3,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.119) USER MOD Single : A 26 THR OG1 : rot -65:sc= 0.594 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -2.96! C(o=-3.9!,f=-3!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 43 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+ -173:sc= -0.887 (180deg=-1.01) USER MOD Single : A 46 SER OG : rot 19:sc= 0.872 USER MOD Single : A 50 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.121) USER MOD Single : A 53 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0503) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.907 2.941 -1.453 1.00 0.00 N ATOM 152 CA GLY A 8 101.671 3.779 -1.496 1.00 0.00 C ATOM 153 C GLY A 8 101.700 4.723 -2.710 1.00 0.00 C ATOM 154 O GLY A 8 100.823 5.553 -2.868 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.791 3.137 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.587 4.361 -0.578 1.00 0.00 H new ATOM 158 N SER A 9 102.694 4.609 -3.567 1.00 0.00 N ATOM 159 CA SER A 9 102.743 5.475 -4.787 1.00 0.00 C ATOM 160 C SER A 9 101.959 4.821 -5.928 1.00 0.00 C ATOM 161 O SER A 9 101.960 3.612 -6.075 1.00 0.00 O ATOM 162 CB SER A 9 104.225 5.583 -5.147 1.00 0.00 C ATOM 163 OG SER A 9 104.377 6.466 -6.251 1.00 0.00 O ATOM 0 H SER A 9 103.470 3.954 -3.471 1.00 0.00 H new ATOM 0 HA SER A 9 102.298 6.455 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.793 5.950 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.623 4.599 -5.396 1.00 0.00 H new ATOM 0 HG SER A 9 105.326 6.539 -6.483 1.00 0.00 H new ATOM 169 N ASN A 10 101.293 5.609 -6.736 1.00 0.00 N ATOM 170 CA ASN A 10 100.558 5.042 -7.909 1.00 0.00 C ATOM 171 C ASN A 10 101.464 5.041 -9.141 1.00 0.00 C ATOM 172 O ASN A 10 101.852 6.081 -9.641 1.00 0.00 O ATOM 173 CB ASN A 10 99.361 5.971 -8.123 1.00 0.00 C ATOM 174 CG ASN A 10 98.345 5.296 -9.047 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.713 4.589 -9.964 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.070 5.488 -8.842 1.00 0.00 N ATOM 0 H ASN A 10 101.227 6.622 -6.634 1.00 0.00 H new ATOM 0 HA ASN A 10 100.243 4.012 -7.740 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.896 6.208 -7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.693 6.914 -8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.383 5.044 -9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.761 6.082 -8.072 1.00 0.00 H new ATOM 183 N VAL A 11 101.797 3.873 -9.629 1.00 0.00 N ATOM 184 CA VAL A 11 102.661 3.772 -10.844 1.00 0.00 C ATOM 185 C VAL A 11 102.028 2.801 -11.842 1.00 0.00 C ATOM 186 O VAL A 11 101.183 2.002 -11.481 1.00 0.00 O ATOM 187 CB VAL A 11 104.019 3.240 -10.348 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.649 4.256 -9.392 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.836 1.903 -9.613 1.00 0.00 C ATOM 0 H VAL A 11 101.505 2.979 -9.235 1.00 0.00 H new ATOM 0 HA VAL A 11 102.777 4.730 -11.351 1.00 0.00 H new ATOM 0 HB VAL A 11 104.669 3.087 -11.210 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.610 3.879 -9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.799 5.202 -9.913 1.00 0.00 H new ATOM 0 HG13 VAL A 11 103.988 4.412 -8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.805 1.541 -9.269 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.177 2.046 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.396 1.172 -10.291 1.00 0.00 H new ATOM 199 N GLU A 12 102.425 2.864 -13.090 1.00 0.00 N ATOM 200 CA GLU A 12 101.940 1.856 -14.079 1.00 0.00 C ATOM 201 C GLU A 12 103.130 1.073 -14.638 1.00 0.00 C ATOM 202 O GLU A 12 104.212 1.601 -14.793 1.00 0.00 O ATOM 203 CB GLU A 12 101.257 2.677 -15.178 1.00 0.00 C ATOM 204 CG GLU A 12 100.630 1.738 -16.215 1.00 0.00 C ATOM 205 CD GLU A 12 99.890 2.559 -17.277 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.406 3.592 -17.669 1.00 0.00 O ATOM 207 OE2 GLU A 12 98.818 2.137 -17.680 1.00 0.00 O ATOM 0 H GLU A 12 103.062 3.568 -13.464 1.00 0.00 H new ATOM 0 HA GLU A 12 101.256 1.128 -13.642 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.490 3.317 -14.743 1.00 0.00 H new ATOM 0 HB3 GLU A 12 101.983 3.332 -15.659 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.404 1.131 -16.685 1.00 0.00 H new ATOM 0 HG3 GLU A 12 99.939 1.051 -15.726 1.00 0.00 H new ATOM 214 N VAL A 13 102.935 -0.185 -14.935 1.00 0.00 N ATOM 215 CA VAL A 13 104.040 -1.000 -15.523 1.00 0.00 C ATOM 216 C VAL A 13 103.519 -1.784 -16.726 1.00 0.00 C ATOM 217 O VAL A 13 102.391 -2.244 -16.726 1.00 0.00 O ATOM 218 CB VAL A 13 104.491 -1.948 -14.396 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.381 -2.949 -14.046 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.729 -2.725 -14.850 1.00 0.00 C ATOM 0 H VAL A 13 102.057 -0.684 -14.796 1.00 0.00 H new ATOM 0 HA VAL A 13 104.868 -0.387 -15.878 1.00 0.00 H new ATOM 0 HB VAL A 13 104.719 -1.349 -13.515 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.723 -3.608 -13.248 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.494 -2.408 -13.715 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.136 -3.543 -14.926 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.050 -3.396 -14.053 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.488 -3.307 -15.740 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.533 -2.026 -15.081 1.00 0.00 H new ATOM 230 N LEU A 14 104.322 -1.940 -17.747 1.00 0.00 N ATOM 231 CA LEU A 14 103.954 -2.917 -18.815 1.00 0.00 C ATOM 232 C LEU A 14 104.666 -4.235 -18.557 1.00 0.00 C ATOM 233 O LEU A 14 105.840 -4.262 -18.236 1.00 0.00 O ATOM 234 CB LEU A 14 104.414 -2.346 -20.166 1.00 0.00 C ATOM 235 CG LEU A 14 103.971 -0.882 -20.396 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.774 -0.672 -21.901 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.657 -0.554 -19.668 1.00 0.00 C ATOM 0 H LEU A 14 105.202 -1.443 -17.887 1.00 0.00 H new ATOM 0 HA LEU A 14 102.877 -3.085 -18.821 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.501 -2.403 -20.225 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.018 -2.968 -20.969 1.00 0.00 H new ATOM 0 HG LEU A 14 104.742 -0.222 -19.998 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.461 0.355 -22.087 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.712 -0.865 -22.421 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.009 -1.356 -22.267 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.385 0.484 -19.858 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.866 -1.209 -20.033 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.787 -0.704 -18.596 1.00 0.00 H new ATOM 249 N LEU A 15 103.965 -5.326 -18.697 1.00 0.00 N ATOM 250 CA LEU A 15 104.616 -6.654 -18.504 1.00 0.00 C ATOM 251 C LEU A 15 105.325 -7.082 -19.793 1.00 0.00 C ATOM 252 O LEU A 15 105.285 -6.391 -20.794 1.00 0.00 O ATOM 253 CB LEU A 15 103.482 -7.625 -18.160 1.00 0.00 C ATOM 254 CG LEU A 15 102.830 -7.217 -16.835 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.553 -8.031 -16.622 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.801 -7.486 -15.682 1.00 0.00 C ATOM 0 H LEU A 15 102.974 -5.357 -18.936 1.00 0.00 H new ATOM 0 HA LEU A 15 105.369 -6.630 -17.717 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.738 -7.626 -18.956 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.871 -8.641 -18.086 1.00 0.00 H new ATOM 0 HG LEU A 15 102.585 -6.155 -16.865 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.089 -7.741 -15.679 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.859 -7.841 -17.441 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.799 -9.093 -16.594 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.336 -7.195 -14.740 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.047 -8.548 -15.653 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.712 -6.907 -15.831 1.00 0.00 H new ATOM 268 N ASN A 16 105.973 -8.221 -19.766 1.00 0.00 N ATOM 269 CA ASN A 16 106.742 -8.705 -20.968 1.00 0.00 C ATOM 270 C ASN A 16 105.839 -8.822 -22.207 1.00 0.00 C ATOM 271 O ASN A 16 106.315 -8.798 -23.328 1.00 0.00 O ATOM 272 CB ASN A 16 107.300 -10.084 -20.572 1.00 0.00 C ATOM 273 CG ASN A 16 106.158 -11.039 -20.200 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.293 -11.314 -21.008 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.119 -11.555 -19.002 1.00 0.00 N ATOM 0 H ASN A 16 106.006 -8.844 -18.959 1.00 0.00 H new ATOM 0 HA ASN A 16 107.533 -8.005 -21.236 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.876 -10.501 -21.398 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.983 -9.978 -19.729 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.363 -12.189 -18.744 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.845 -11.324 -18.324 1.00 0.00 H new ATOM 282 N ASN A 17 104.550 -8.949 -22.013 1.00 0.00 N ATOM 283 CA ASN A 17 103.628 -9.155 -23.175 1.00 0.00 C ATOM 284 C ASN A 17 102.929 -7.841 -23.571 1.00 0.00 C ATOM 285 O ASN A 17 101.858 -7.863 -24.147 1.00 0.00 O ATOM 286 CB ASN A 17 102.606 -10.203 -22.698 1.00 0.00 C ATOM 287 CG ASN A 17 101.794 -9.677 -21.503 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.175 -8.715 -20.864 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.682 -10.277 -21.175 1.00 0.00 N ATOM 0 H ASN A 17 104.095 -8.919 -21.101 1.00 0.00 H new ATOM 0 HA ASN A 17 104.166 -9.487 -24.063 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.932 -10.458 -23.516 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.124 -11.119 -22.415 1.00 0.00 H new ATOM 0 HD21 ASN A 17 100.134 -9.939 -20.384 1.00 0.00 H new ATOM 0 HD22 ASN A 17 100.361 -11.084 -21.710 1.00 0.00 H new ATOM 296 N ASP A 18 103.521 -6.697 -23.263 1.00 0.00 N ATOM 297 CA ASP A 18 102.941 -5.378 -23.696 1.00 0.00 C ATOM 298 C ASP A 18 101.510 -5.213 -23.162 1.00 0.00 C ATOM 299 O ASP A 18 100.709 -4.498 -23.736 1.00 0.00 O ATOM 300 CB ASP A 18 102.948 -5.387 -25.233 1.00 0.00 C ATOM 301 CG ASP A 18 104.391 -5.459 -25.739 1.00 0.00 C ATOM 302 OD1 ASP A 18 104.879 -6.563 -25.922 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.982 -4.410 -25.934 1.00 0.00 O ATOM 0 H ASP A 18 104.386 -6.625 -22.727 1.00 0.00 H new ATOM 0 HA ASP A 18 103.523 -4.544 -23.304 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.379 -6.239 -25.604 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.463 -4.489 -25.614 1.00 0.00 H new ATOM 308 N SER A 19 101.188 -5.870 -22.070 1.00 0.00 N ATOM 309 CA SER A 19 99.895 -5.594 -21.379 1.00 0.00 C ATOM 310 C SER A 19 100.143 -4.600 -20.246 1.00 0.00 C ATOM 311 O SER A 19 101.070 -4.756 -19.472 1.00 0.00 O ATOM 312 CB SER A 19 99.433 -6.944 -20.829 1.00 0.00 C ATOM 313 OG SER A 19 100.309 -7.355 -19.787 1.00 0.00 O ATOM 0 H SER A 19 101.768 -6.585 -21.631 1.00 0.00 H new ATOM 0 HA SER A 19 99.143 -5.162 -22.039 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.413 -6.866 -20.452 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.422 -7.689 -21.625 1.00 0.00 H new ATOM 0 HG SER A 19 101.134 -7.714 -20.176 1.00 0.00 H new ATOM 319 N LYS A 20 99.327 -3.584 -20.140 1.00 0.00 N ATOM 320 CA LYS A 20 99.643 -2.467 -19.197 1.00 0.00 C ATOM 321 C LYS A 20 98.679 -2.482 -18.006 1.00 0.00 C ATOM 322 O LYS A 20 97.485 -2.654 -18.165 1.00 0.00 O ATOM 323 CB LYS A 20 99.454 -1.168 -20.003 1.00 0.00 C ATOM 324 CG LYS A 20 100.088 -1.285 -21.400 1.00 0.00 C ATOM 325 CD LYS A 20 100.163 0.101 -22.046 1.00 0.00 C ATOM 326 CE LYS A 20 98.759 0.549 -22.457 1.00 0.00 C ATOM 327 NZ LYS A 20 98.512 -0.112 -23.768 1.00 0.00 N ATOM 0 H LYS A 20 98.458 -3.478 -20.663 1.00 0.00 H new ATOM 0 HA LYS A 20 100.655 -2.558 -18.802 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.391 -0.948 -20.100 1.00 0.00 H new ATOM 0 HB3 LYS A 20 99.904 -0.334 -19.465 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.086 -1.716 -21.323 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.498 -1.957 -22.023 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.595 0.817 -21.347 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.817 0.073 -22.918 1.00 0.00 H new ATOM 0 HE2 LYS A 20 98.017 0.249 -21.718 1.00 0.00 H new ATOM 0 HE3 LYS A 20 98.701 1.634 -22.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 98.494 0.606 -24.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.271 -0.796 -23.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 97.598 -0.608 -23.740 1.00 0.00 H new ATOM 341 N ALA A 21 99.200 -2.303 -16.816 1.00 0.00 N ATOM 342 CA ALA A 21 98.324 -2.202 -15.608 1.00 0.00 C ATOM 343 C ALA A 21 98.886 -1.155 -14.641 1.00 0.00 C ATOM 344 O ALA A 21 100.080 -0.915 -14.606 1.00 0.00 O ATOM 345 CB ALA A 21 98.359 -3.592 -14.974 1.00 0.00 C ATOM 0 H ALA A 21 100.200 -2.222 -16.630 1.00 0.00 H new ATOM 0 HA ALA A 21 97.308 -1.896 -15.856 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.738 -3.599 -14.078 1.00 0.00 H new ATOM 0 HB2 ALA A 21 97.979 -4.326 -15.685 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.385 -3.844 -14.706 1.00 0.00 H new ATOM 351 N ARG A 22 98.038 -0.531 -13.856 1.00 0.00 N ATOM 352 CA ARG A 22 98.520 0.508 -12.894 1.00 0.00 C ATOM 353 C ARG A 22 97.846 0.320 -11.533 1.00 0.00 C ATOM 354 O ARG A 22 96.797 -0.288 -11.435 1.00 0.00 O ATOM 355 CB ARG A 22 98.135 1.861 -13.516 1.00 0.00 C ATOM 356 CG ARG A 22 96.616 1.945 -13.726 1.00 0.00 C ATOM 357 CD ARG A 22 96.254 3.311 -14.317 1.00 0.00 C ATOM 358 NE ARG A 22 96.685 3.252 -15.752 1.00 0.00 N ATOM 359 CZ ARG A 22 96.822 4.348 -16.474 1.00 0.00 C ATOM 360 NH1 ARG A 22 96.585 5.539 -15.973 1.00 0.00 N ATOM 361 NH2 ARG A 22 97.201 4.246 -17.719 1.00 0.00 N ATOM 0 H ARG A 22 97.032 -0.698 -13.842 1.00 0.00 H new ATOM 0 HA ARG A 22 99.595 0.442 -12.726 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.464 2.673 -12.867 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.647 1.988 -14.470 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.287 1.149 -14.394 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.099 1.799 -12.778 1.00 0.00 H new ATOM 0 HD2 ARG A 22 95.184 3.503 -14.236 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.763 4.116 -13.787 1.00 0.00 H new ATOM 0 HE ARG A 22 96.876 2.346 -16.179 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.287 5.634 -15.002 1.00 0.00 H new ATOM 0 HH12 ARG A 22 96.699 6.369 -16.555 1.00 0.00 H new ATOM 0 HH21 ARG A 22 97.387 3.328 -18.122 1.00 0.00 H new ATOM 0 HH22 ARG A 22 97.311 5.085 -18.289 1.00 0.00 H new ATOM 375 N GLY A 23 98.445 0.835 -10.487 1.00 0.00 N ATOM 376 CA GLY A 23 97.808 0.756 -9.139 1.00 0.00 C ATOM 377 C GLY A 23 98.729 1.399 -8.102 1.00 0.00 C ATOM 378 O GLY A 23 99.780 1.915 -8.435 1.00 0.00 O ATOM 0 H GLY A 23 99.349 1.307 -10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.844 1.265 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.617 -0.284 -8.876 1.00 0.00 H new ATOM 382 N VAL A 24 98.343 1.369 -6.851 1.00 0.00 N ATOM 383 CA VAL A 24 99.202 1.960 -5.778 1.00 0.00 C ATOM 384 C VAL A 24 100.032 0.852 -5.119 1.00 0.00 C ATOM 385 O VAL A 24 99.505 -0.154 -4.687 1.00 0.00 O ATOM 386 CB VAL A 24 98.231 2.590 -4.767 1.00 0.00 C ATOM 387 CG1 VAL A 24 99.023 3.305 -3.670 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.329 3.610 -5.471 1.00 0.00 C ATOM 0 H VAL A 24 97.467 0.960 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 24 99.899 2.702 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 24 97.619 1.801 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.332 3.751 -2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.664 2.587 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.638 4.087 -4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.644 4.051 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.943 4.394 -5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.757 3.111 -6.254 1.00 0.00 H new ATOM 398 N ILE A 25 101.326 1.039 -5.040 1.00 0.00 N ATOM 399 CA ILE A 25 102.220 -0.043 -4.506 1.00 0.00 C ATOM 400 C ILE A 25 101.930 -0.286 -3.018 1.00 0.00 C ATOM 401 O ILE A 25 101.755 0.646 -2.253 1.00 0.00 O ATOM 402 CB ILE A 25 103.654 0.481 -4.717 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.930 0.603 -6.221 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.680 -0.475 -4.086 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.173 1.469 -6.445 1.00 0.00 C ATOM 0 H ILE A 25 101.805 1.894 -5.322 1.00 0.00 H new ATOM 0 HA ILE A 25 102.065 -0.997 -5.010 1.00 0.00 H new ATOM 0 HB ILE A 25 103.746 1.456 -4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 25 104.080 -0.386 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 25 103.070 1.045 -6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.686 -0.087 -4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.489 -0.559 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.593 -1.458 -4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.369 1.555 -7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 25 105.006 2.461 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 25 106.031 1.008 -5.955 1.00 0.00 H new ATOM 417 N THR A 26 101.879 -1.534 -2.611 1.00 0.00 N ATOM 418 CA THR A 26 101.570 -1.851 -1.182 1.00 0.00 C ATOM 419 C THR A 26 102.657 -2.735 -0.556 1.00 0.00 C ATOM 420 O THR A 26 102.976 -2.583 0.610 1.00 0.00 O ATOM 421 CB THR A 26 100.233 -2.596 -1.217 1.00 0.00 C ATOM 422 OG1 THR A 26 100.326 -3.693 -2.115 1.00 0.00 O ATOM 423 CG2 THR A 26 99.124 -1.648 -1.680 1.00 0.00 C ATOM 0 H THR A 26 102.038 -2.345 -3.208 1.00 0.00 H new ATOM 0 HA THR A 26 101.526 -0.946 -0.576 1.00 0.00 H new ATOM 0 HB THR A 26 99.998 -2.962 -0.218 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.461 -3.359 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.174 -2.183 -1.703 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.051 -0.808 -0.989 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.356 -1.277 -2.678 1.00 0.00 H new ATOM 431 N ASN A 27 103.234 -3.653 -1.306 1.00 0.00 N ATOM 432 CA ASN A 27 104.189 -4.624 -0.685 1.00 0.00 C ATOM 433 C ASN A 27 105.391 -4.872 -1.600 1.00 0.00 C ATOM 434 O ASN A 27 105.293 -4.774 -2.807 1.00 0.00 O ATOM 435 CB ASN A 27 103.381 -5.910 -0.503 1.00 0.00 C ATOM 436 CG ASN A 27 104.054 -6.801 0.544 1.00 0.00 C ATOM 437 OD1 ASN A 27 105.264 -6.823 0.656 1.00 0.00 O ATOM 438 ND2 ASN A 27 103.314 -7.543 1.322 1.00 0.00 N ATOM 0 H ASN A 27 103.085 -3.768 -2.308 1.00 0.00 H new ATOM 0 HA ASN A 27 104.591 -4.251 0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.364 -5.671 -0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.306 -6.441 -1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 27 103.751 -8.141 2.023 1.00 0.00 H new ATOM 0 HD22 ASN A 27 102.298 -7.525 1.229 1.00 0.00 H new ATOM 445 N PHE A 28 106.522 -5.192 -1.020 1.00 0.00 N ATOM 446 CA PHE A 28 107.720 -5.569 -1.831 1.00 0.00 C ATOM 447 C PHE A 28 108.575 -6.573 -1.054 1.00 0.00 C ATOM 448 O PHE A 28 108.818 -6.408 0.127 1.00 0.00 O ATOM 449 CB PHE A 28 108.483 -4.264 -2.049 1.00 0.00 C ATOM 450 CG PHE A 28 109.633 -4.394 -3.019 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.376 -4.581 -4.399 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.968 -4.328 -2.548 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.456 -4.702 -5.309 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.046 -4.449 -3.459 1.00 0.00 C ATOM 455 CZ PHE A 28 111.789 -4.636 -4.839 1.00 0.00 C ATOM 0 H PHE A 28 106.667 -5.208 -0.010 1.00 0.00 H new ATOM 0 HA PHE A 28 107.452 -6.039 -2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.792 -3.505 -2.416 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.864 -3.911 -1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.359 -4.631 -4.758 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.163 -4.186 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.261 -4.845 -6.362 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.064 -4.399 -3.101 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.611 -4.728 -5.533 1.00 0.00 H new ATOM 465 N ASP A 29 109.029 -7.608 -1.713 1.00 0.00 N ATOM 466 CA ASP A 29 109.827 -8.664 -1.017 1.00 0.00 C ATOM 467 C ASP A 29 111.198 -8.807 -1.680 1.00 0.00 C ATOM 468 O ASP A 29 111.296 -9.135 -2.847 1.00 0.00 O ATOM 469 CB ASP A 29 109.013 -9.949 -1.182 1.00 0.00 C ATOM 470 CG ASP A 29 109.619 -11.056 -0.318 1.00 0.00 C ATOM 471 OD1 ASP A 29 109.952 -10.778 0.822 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.737 -12.166 -0.811 1.00 0.00 O ATOM 0 H ASP A 29 108.881 -7.769 -2.709 1.00 0.00 H new ATOM 0 HA ASP A 29 110.003 -8.427 0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 29 107.977 -9.774 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.005 -10.254 -2.228 1.00 0.00 H new ATOM 477 N SER A 30 112.253 -8.562 -0.940 1.00 0.00 N ATOM 478 CA SER A 30 113.630 -8.669 -1.522 1.00 0.00 C ATOM 479 C SER A 30 113.964 -10.127 -1.861 1.00 0.00 C ATOM 480 O SER A 30 114.713 -10.398 -2.781 1.00 0.00 O ATOM 481 CB SER A 30 114.573 -8.147 -0.436 1.00 0.00 C ATOM 482 OG SER A 30 114.162 -6.843 -0.045 1.00 0.00 O ATOM 0 H SER A 30 112.220 -8.292 0.043 1.00 0.00 H new ATOM 0 HA SER A 30 113.719 -8.101 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.563 -8.817 0.424 1.00 0.00 H new ATOM 0 HB3 SER A 30 115.597 -8.122 -0.809 1.00 0.00 H new ATOM 0 HG SER A 30 114.763 -6.506 0.652 1.00 0.00 H new ATOM 488 N SER A 31 113.412 -11.065 -1.125 1.00 0.00 N ATOM 489 CA SER A 31 113.770 -12.510 -1.336 1.00 0.00 C ATOM 490 C SER A 31 113.404 -12.961 -2.756 1.00 0.00 C ATOM 491 O SER A 31 114.214 -13.546 -3.453 1.00 0.00 O ATOM 492 CB SER A 31 112.949 -13.286 -0.305 1.00 0.00 C ATOM 493 OG SER A 31 113.216 -12.770 0.992 1.00 0.00 O ATOM 0 H SER A 31 112.729 -10.894 -0.387 1.00 0.00 H new ATOM 0 HA SER A 31 114.840 -12.679 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 31 111.886 -13.201 -0.531 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.200 -14.346 -0.346 1.00 0.00 H new ATOM 0 HG SER A 31 112.690 -13.264 1.655 1.00 0.00 H new ATOM 499 N ASN A 32 112.194 -12.695 -3.186 1.00 0.00 N ATOM 500 CA ASN A 32 111.767 -13.115 -4.559 1.00 0.00 C ATOM 501 C ASN A 32 111.266 -11.914 -5.379 1.00 0.00 C ATOM 502 O ASN A 32 110.619 -12.090 -6.393 1.00 0.00 O ATOM 503 CB ASN A 32 110.631 -14.111 -4.326 1.00 0.00 C ATOM 504 CG ASN A 32 110.366 -14.894 -5.614 1.00 0.00 C ATOM 505 OD1 ASN A 32 109.136 -15.092 -6.002 1.00 0.00 O flip ATOM 506 ND2 ASN A 32 111.289 -15.329 -6.275 1.00 0.00 N flip ATOM 0 H ASN A 32 111.482 -12.204 -2.645 1.00 0.00 H new ATOM 0 HA ASN A 32 112.593 -13.547 -5.124 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.893 -14.795 -3.519 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.729 -13.584 -4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 32 112.251 -15.174 -5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 32 111.102 -15.849 -7.133 1.00 0.00 H new ATOM 513 N SER A 33 111.560 -10.701 -4.946 1.00 0.00 N ATOM 514 CA SER A 33 111.109 -9.467 -5.684 1.00 0.00 C ATOM 515 C SER A 33 109.621 -9.552 -6.079 1.00 0.00 C ATOM 516 O SER A 33 109.278 -9.627 -7.246 1.00 0.00 O ATOM 517 CB SER A 33 112.015 -9.384 -6.920 1.00 0.00 C ATOM 518 OG SER A 33 111.604 -10.342 -7.887 1.00 0.00 O ATOM 0 H SER A 33 112.100 -10.513 -4.102 1.00 0.00 H new ATOM 0 HA SER A 33 111.191 -8.575 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.971 -8.382 -7.347 1.00 0.00 H new ATOM 0 HB3 SER A 33 113.051 -9.564 -6.635 1.00 0.00 H new ATOM 0 HG SER A 33 110.871 -10.881 -7.523 1.00 0.00 H new ATOM 524 N ILE A 34 108.742 -9.539 -5.105 1.00 0.00 N ATOM 525 CA ILE A 34 107.277 -9.640 -5.403 1.00 0.00 C ATOM 526 C ILE A 34 106.577 -8.338 -4.991 1.00 0.00 C ATOM 527 O ILE A 34 106.754 -7.854 -3.889 1.00 0.00 O ATOM 528 CB ILE A 34 106.762 -10.825 -4.564 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.584 -12.101 -4.863 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.283 -11.079 -4.879 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.453 -12.521 -6.339 1.00 0.00 C ATOM 0 H ILE A 34 108.976 -9.463 -4.115 1.00 0.00 H new ATOM 0 HA ILE A 34 107.081 -9.794 -6.464 1.00 0.00 H new ATOM 0 HB ILE A 34 106.873 -10.577 -3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.633 -11.924 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.244 -12.913 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.923 -11.918 -4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.702 -10.188 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.171 -11.312 -5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.043 -13.421 -6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.407 -12.722 -6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.817 -11.718 -6.980 1.00 0.00 H new ATOM 543 N LEU A 35 105.786 -7.777 -5.873 1.00 0.00 N ATOM 544 CA LEU A 35 105.168 -6.442 -5.603 1.00 0.00 C ATOM 545 C LEU A 35 103.642 -6.540 -5.665 1.00 0.00 C ATOM 546 O LEU A 35 103.082 -6.995 -6.646 1.00 0.00 O ATOM 547 CB LEU A 35 105.697 -5.544 -6.722 1.00 0.00 C ATOM 548 CG LEU A 35 105.256 -4.096 -6.486 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.242 -3.406 -5.540 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.227 -3.351 -7.823 1.00 0.00 C ATOM 0 H LEU A 35 105.541 -8.189 -6.773 1.00 0.00 H new ATOM 0 HA LEU A 35 105.415 -6.058 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.785 -5.600 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.326 -5.893 -7.686 1.00 0.00 H new ATOM 0 HG LEU A 35 104.261 -4.088 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.926 -2.376 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.265 -3.937 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.238 -3.413 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.913 -2.320 -7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.223 -3.361 -8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.524 -3.841 -8.497 1.00 0.00 H new ATOM 562 N GLN A 36 102.974 -6.115 -4.624 1.00 0.00 N ATOM 563 CA GLN A 36 101.484 -6.051 -4.659 1.00 0.00 C ATOM 564 C GLN A 36 101.035 -4.633 -5.008 1.00 0.00 C ATOM 565 O GLN A 36 101.449 -3.673 -4.382 1.00 0.00 O ATOM 566 CB GLN A 36 101.032 -6.427 -3.246 1.00 0.00 C ATOM 567 CG GLN A 36 101.276 -7.919 -3.011 1.00 0.00 C ATOM 568 CD GLN A 36 100.885 -8.285 -1.577 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.064 -7.501 -0.665 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.353 -9.451 -1.337 1.00 0.00 N ATOM 0 H GLN A 36 103.399 -5.809 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 36 101.057 -6.718 -5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.578 -5.838 -2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.974 -6.196 -3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.694 -8.509 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.325 -8.158 -3.185 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.202 -10.110 -2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 36 100.088 -9.704 -0.385 1.00 0.00 H new ATOM 579 N LEU A 37 100.194 -4.497 -6.005 1.00 0.00 N ATOM 580 CA LEU A 37 99.682 -3.147 -6.385 1.00 0.00 C ATOM 581 C LEU A 37 98.195 -3.039 -6.046 1.00 0.00 C ATOM 582 O LEU A 37 97.380 -3.794 -6.544 1.00 0.00 O ATOM 583 CB LEU A 37 99.891 -3.046 -7.899 1.00 0.00 C ATOM 584 CG LEU A 37 101.387 -3.037 -8.217 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.593 -3.337 -9.703 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.971 -1.658 -7.894 1.00 0.00 C ATOM 0 H LEU A 37 99.840 -5.267 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 37 100.196 -2.347 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.409 -3.886 -8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.424 -2.138 -8.280 1.00 0.00 H new ATOM 0 HG LEU A 37 101.889 -3.796 -7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.659 -3.331 -9.931 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.177 -4.317 -9.937 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.090 -2.577 -10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 37 103.037 -1.652 -8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.468 -0.900 -8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.824 -1.439 -6.836 1.00 0.00 H new ATOM 598 N ARG A 38 97.840 -2.105 -5.200 1.00 0.00 N ATOM 599 CA ARG A 38 96.399 -1.913 -4.845 1.00 0.00 C ATOM 600 C ARG A 38 95.825 -0.720 -5.617 1.00 0.00 C ATOM 601 O ARG A 38 96.301 0.392 -5.493 1.00 0.00 O ATOM 602 CB ARG A 38 96.393 -1.637 -3.341 1.00 0.00 C ATOM 603 CG ARG A 38 94.952 -1.633 -2.826 1.00 0.00 C ATOM 604 CD ARG A 38 94.944 -1.317 -1.329 1.00 0.00 C ATOM 605 NE ARG A 38 93.513 -1.451 -0.910 1.00 0.00 N ATOM 606 CZ ARG A 38 92.619 -0.521 -1.191 1.00 0.00 C ATOM 607 NH1 ARG A 38 92.939 0.564 -1.861 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.386 -0.683 -0.796 1.00 0.00 N ATOM 0 H ARG A 38 98.487 -1.465 -4.738 1.00 0.00 H new ATOM 0 HA ARG A 38 95.789 -2.780 -5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.974 -2.397 -2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.866 -0.677 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.363 -0.892 -3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.488 -2.603 -3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.583 -2.007 -0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.319 -0.312 -1.136 1.00 0.00 H new ATOM 0 HE ARG A 38 93.221 -2.282 -0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 38 93.899 0.703 -2.178 1.00 0.00 H new ATOM 0 HH12 ARG A 38 92.228 1.266 -2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.123 -1.520 -0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 38 90.685 0.028 -1.006 1.00 0.00 H new ATOM 622 N LEU A 39 94.808 -0.949 -6.408 1.00 0.00 N ATOM 623 CA LEU A 39 94.286 0.131 -7.301 1.00 0.00 C ATOM 624 C LEU A 39 93.006 0.745 -6.714 1.00 0.00 C ATOM 625 O LEU A 39 92.286 0.111 -5.962 1.00 0.00 O ATOM 626 CB LEU A 39 94.013 -0.576 -8.637 1.00 0.00 C ATOM 627 CG LEU A 39 93.463 0.405 -9.687 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.477 1.519 -9.974 1.00 0.00 C ATOM 629 CD2 LEU A 39 93.200 -0.362 -10.980 1.00 0.00 C ATOM 0 H LEU A 39 94.315 -1.839 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 39 94.986 0.959 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.933 -1.029 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 39 93.299 -1.385 -8.483 1.00 0.00 H new ATOM 0 HG LEU A 39 92.546 0.853 -9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.067 2.201 -10.719 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.685 2.068 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.401 1.081 -10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.809 0.320 -11.735 1.00 0.00 H new ATOM 0 HD22 LEU A 39 94.130 -0.804 -11.337 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.472 -1.151 -10.793 1.00 0.00 H new ATOM 641 N ALA A 40 92.725 1.981 -7.067 1.00 0.00 N ATOM 642 CA ALA A 40 91.613 2.740 -6.402 1.00 0.00 C ATOM 643 C ALA A 40 90.228 2.184 -6.774 1.00 0.00 C ATOM 644 O ALA A 40 89.218 2.687 -6.314 1.00 0.00 O ATOM 645 CB ALA A 40 91.754 4.180 -6.903 1.00 0.00 C ATOM 0 H ALA A 40 93.222 2.499 -7.792 1.00 0.00 H new ATOM 0 HA ALA A 40 91.686 2.661 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.973 4.798 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.731 4.570 -6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.658 4.199 -7.989 1.00 0.00 H new ATOM 651 N ASN A 41 90.160 1.160 -7.597 1.00 0.00 N ATOM 652 CA ASN A 41 88.847 0.490 -7.863 1.00 0.00 C ATOM 653 C ASN A 41 88.583 -0.621 -6.831 1.00 0.00 C ATOM 654 O ASN A 41 87.874 -1.569 -7.112 1.00 0.00 O ATOM 655 CB ASN A 41 88.984 -0.114 -9.265 1.00 0.00 C ATOM 656 CG ASN A 41 89.116 1.007 -10.300 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.507 2.050 -10.165 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.891 0.834 -11.335 1.00 0.00 N ATOM 0 H ASN A 41 90.957 0.762 -8.094 1.00 0.00 H new ATOM 0 HA ASN A 41 88.015 1.190 -7.793 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.857 -0.765 -9.307 1.00 0.00 H new ATOM 0 HB3 ASN A 41 88.115 -0.731 -9.492 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.986 1.574 -12.031 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.402 -0.041 -11.449 1.00 0.00 H new ATOM 665 N ASP A 42 89.145 -0.517 -5.634 1.00 0.00 N ATOM 666 CA ASP A 42 88.920 -1.561 -4.574 1.00 0.00 C ATOM 667 C ASP A 42 89.445 -2.925 -5.044 1.00 0.00 C ATOM 668 O ASP A 42 88.954 -3.957 -4.626 1.00 0.00 O ATOM 669 CB ASP A 42 87.401 -1.618 -4.351 1.00 0.00 C ATOM 670 CG ASP A 42 87.108 -2.147 -2.944 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.757 -3.098 -2.542 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.239 -1.590 -2.294 1.00 0.00 O ATOM 0 H ASP A 42 89.752 0.252 -5.351 1.00 0.00 H new ATOM 0 HA ASP A 42 89.449 -1.314 -3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.968 -0.626 -4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.938 -2.264 -5.097 1.00 0.00 H new ATOM 677 N SER A 43 90.438 -2.937 -5.911 1.00 0.00 N ATOM 678 CA SER A 43 91.008 -4.236 -6.383 1.00 0.00 C ATOM 679 C SER A 43 92.505 -4.300 -6.070 1.00 0.00 C ATOM 680 O SER A 43 93.216 -3.323 -6.205 1.00 0.00 O ATOM 681 CB SER A 43 90.775 -4.245 -7.894 1.00 0.00 C ATOM 682 OG SER A 43 89.378 -4.201 -8.154 1.00 0.00 O ATOM 0 H SER A 43 90.873 -2.104 -6.307 1.00 0.00 H new ATOM 0 HA SER A 43 90.544 -5.093 -5.894 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.269 -3.390 -8.355 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.211 -5.141 -8.335 1.00 0.00 H new ATOM 0 HG SER A 43 89.225 -4.205 -9.122 1.00 0.00 H new ATOM 688 N THR A 44 92.981 -5.448 -5.651 1.00 0.00 N ATOM 689 CA THR A 44 94.438 -5.602 -5.348 1.00 0.00 C ATOM 690 C THR A 44 94.997 -6.834 -6.069 1.00 0.00 C ATOM 691 O THR A 44 94.319 -7.835 -6.214 1.00 0.00 O ATOM 692 CB THR A 44 94.524 -5.766 -3.821 1.00 0.00 C ATOM 693 OG1 THR A 44 95.885 -5.918 -3.444 1.00 0.00 O ATOM 694 CG2 THR A 44 93.726 -6.995 -3.364 1.00 0.00 C ATOM 0 H THR A 44 92.420 -6.288 -5.506 1.00 0.00 H new ATOM 0 HA THR A 44 95.024 -4.747 -5.687 1.00 0.00 H new ATOM 0 HB THR A 44 94.101 -4.881 -3.346 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.945 -6.021 -2.471 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.799 -7.094 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.680 -6.876 -3.648 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.131 -7.889 -3.838 1.00 0.00 H new ATOM 702 N LYS A 45 96.225 -6.764 -6.519 1.00 0.00 N ATOM 703 CA LYS A 45 96.818 -7.909 -7.274 1.00 0.00 C ATOM 704 C LYS A 45 98.304 -8.058 -6.937 1.00 0.00 C ATOM 705 O LYS A 45 99.033 -7.084 -6.870 1.00 0.00 O ATOM 706 CB LYS A 45 96.636 -7.545 -8.748 1.00 0.00 C ATOM 707 CG LYS A 45 96.978 -8.755 -9.620 1.00 0.00 C ATOM 708 CD LYS A 45 96.815 -8.383 -11.095 1.00 0.00 C ATOM 709 CE LYS A 45 96.909 -9.646 -11.954 1.00 0.00 C ATOM 710 NZ LYS A 45 98.364 -9.946 -12.041 1.00 0.00 N ATOM 0 H LYS A 45 96.843 -5.962 -6.396 1.00 0.00 H new ATOM 0 HA LYS A 45 96.342 -8.858 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.609 -7.230 -8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.278 -6.703 -9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 45 98.001 -9.079 -9.426 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.326 -9.592 -9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.854 -7.893 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.587 -7.672 -11.389 1.00 0.00 H new ATOM 0 HE2 LYS A 45 96.362 -10.473 -11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.480 -9.484 -12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 98.518 -10.727 -12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 98.873 -9.102 -12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 98.719 -10.219 -11.102 1.00 0.00 H new ATOM 724 N SER A 46 98.754 -9.270 -6.725 1.00 0.00 N ATOM 725 CA SER A 46 100.203 -9.503 -6.443 1.00 0.00 C ATOM 726 C SER A 46 100.927 -9.903 -7.732 1.00 0.00 C ATOM 727 O SER A 46 100.595 -10.893 -8.355 1.00 0.00 O ATOM 728 CB SER A 46 100.234 -10.648 -5.432 1.00 0.00 C ATOM 729 OG SER A 46 99.773 -11.839 -6.055 1.00 0.00 O ATOM 0 H SER A 46 98.177 -10.111 -6.735 1.00 0.00 H new ATOM 0 HA SER A 46 100.700 -8.612 -6.059 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.248 -10.789 -5.057 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.607 -10.407 -4.574 1.00 0.00 H new ATOM 0 HG SER A 46 99.832 -11.743 -7.028 1.00 0.00 H new ATOM 735 N ILE A 47 101.914 -9.136 -8.131 1.00 0.00 N ATOM 736 CA ILE A 47 102.651 -9.446 -9.395 1.00 0.00 C ATOM 737 C ILE A 47 104.155 -9.485 -9.112 1.00 0.00 C ATOM 738 O ILE A 47 104.701 -8.575 -8.513 1.00 0.00 O ATOM 739 CB ILE A 47 102.304 -8.302 -10.363 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.787 -8.256 -10.596 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.006 -8.527 -11.707 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.415 -6.954 -11.307 1.00 0.00 C ATOM 0 H ILE A 47 102.241 -8.307 -7.634 1.00 0.00 H new ATOM 0 HA ILE A 47 102.375 -10.414 -9.814 1.00 0.00 H new ATOM 0 HB ILE A 47 102.637 -7.361 -9.926 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.475 -9.111 -11.196 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.261 -8.325 -9.644 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.756 -7.714 -12.388 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.085 -8.554 -11.554 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.676 -9.473 -12.136 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.338 -6.924 -11.471 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.712 -6.105 -10.691 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.930 -6.903 -12.266 1.00 0.00 H new ATOM 754 N VAL A 48 104.824 -10.527 -9.536 1.00 0.00 N ATOM 755 CA VAL A 48 106.302 -10.610 -9.316 1.00 0.00 C ATOM 756 C VAL A 48 107.007 -9.619 -10.246 1.00 0.00 C ATOM 757 O VAL A 48 106.683 -9.516 -11.412 1.00 0.00 O ATOM 758 CB VAL A 48 106.710 -12.057 -9.648 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.190 -12.269 -9.300 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.842 -13.053 -8.855 1.00 0.00 C ATOM 0 H VAL A 48 104.413 -11.323 -10.024 1.00 0.00 H new ATOM 0 HA VAL A 48 106.579 -10.360 -8.292 1.00 0.00 H new ATOM 0 HB VAL A 48 106.559 -12.230 -10.714 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.476 -13.294 -9.536 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.803 -11.579 -9.880 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.344 -12.085 -8.237 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.142 -14.072 -9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.976 -12.882 -7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.794 -12.910 -9.117 1.00 0.00 H new ATOM 770 N THR A 49 107.968 -8.893 -9.736 1.00 0.00 N ATOM 771 CA THR A 49 108.594 -7.791 -10.538 1.00 0.00 C ATOM 772 C THR A 49 109.343 -8.345 -11.756 1.00 0.00 C ATOM 773 O THR A 49 109.528 -7.651 -12.740 1.00 0.00 O ATOM 774 CB THR A 49 109.565 -7.082 -9.587 1.00 0.00 C ATOM 775 OG1 THR A 49 110.509 -8.020 -9.091 1.00 0.00 O ATOM 776 CG2 THR A 49 108.791 -6.464 -8.419 1.00 0.00 C ATOM 0 H THR A 49 108.349 -9.013 -8.798 1.00 0.00 H new ATOM 0 HA THR A 49 107.837 -7.110 -10.926 1.00 0.00 H new ATOM 0 HB THR A 49 110.086 -6.291 -10.127 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.091 -8.568 -8.394 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.487 -5.962 -7.747 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.070 -5.741 -8.802 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.264 -7.249 -7.876 1.00 0.00 H new ATOM 784 N LYS A 50 109.776 -9.582 -11.705 1.00 0.00 N ATOM 785 CA LYS A 50 110.594 -10.146 -12.831 1.00 0.00 C ATOM 786 C LYS A 50 109.822 -10.080 -14.154 1.00 0.00 C ATOM 787 O LYS A 50 110.412 -10.027 -15.218 1.00 0.00 O ATOM 788 CB LYS A 50 110.879 -11.603 -12.441 1.00 0.00 C ATOM 789 CG LYS A 50 111.856 -12.235 -13.440 1.00 0.00 C ATOM 790 CD LYS A 50 111.862 -13.753 -13.254 1.00 0.00 C ATOM 791 CE LYS A 50 112.952 -14.371 -14.134 1.00 0.00 C ATOM 792 NZ LYS A 50 114.212 -14.203 -13.358 1.00 0.00 N ATOM 0 H LYS A 50 109.600 -10.227 -10.934 1.00 0.00 H new ATOM 0 HA LYS A 50 111.514 -9.580 -12.981 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.298 -11.643 -11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.949 -12.171 -12.421 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.564 -11.984 -14.460 1.00 0.00 H new ATOM 0 HG3 LYS A 50 112.858 -11.835 -13.288 1.00 0.00 H new ATOM 0 HD2 LYS A 50 112.040 -14.001 -12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 50 110.889 -14.166 -13.518 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.749 -15.423 -14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.013 -13.868 -15.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 114.973 -13.892 -13.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 114.069 -13.490 -12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 114.475 -15.110 -12.922 1.00 0.00 H new ATOM 806 N ASP A 51 108.512 -10.081 -14.097 1.00 0.00 N ATOM 807 CA ASP A 51 107.709 -9.931 -15.353 1.00 0.00 C ATOM 808 C ASP A 51 107.447 -8.448 -15.676 1.00 0.00 C ATOM 809 O ASP A 51 106.631 -8.137 -16.523 1.00 0.00 O ATOM 810 CB ASP A 51 106.393 -10.692 -15.111 1.00 0.00 C ATOM 811 CG ASP A 51 105.634 -10.118 -13.908 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.406 -8.920 -13.884 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.288 -10.893 -13.031 1.00 0.00 O ATOM 0 H ASP A 51 107.966 -10.179 -13.241 1.00 0.00 H new ATOM 0 HA ASP A 51 108.244 -10.334 -16.213 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.767 -10.633 -16.001 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.606 -11.747 -14.940 1.00 0.00 H new ATOM 818 N ILE A 52 108.126 -7.531 -15.013 1.00 0.00 N ATOM 819 CA ILE A 52 108.019 -6.087 -15.411 1.00 0.00 C ATOM 820 C ILE A 52 108.875 -5.830 -16.655 1.00 0.00 C ATOM 821 O ILE A 52 110.090 -5.905 -16.605 1.00 0.00 O ATOM 822 CB ILE A 52 108.551 -5.282 -14.210 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.635 -5.507 -12.995 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.596 -3.779 -14.555 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.234 -4.824 -11.760 1.00 0.00 C ATOM 0 H ILE A 52 108.742 -7.720 -14.223 1.00 0.00 H new ATOM 0 HA ILE A 52 106.995 -5.802 -15.655 1.00 0.00 H new ATOM 0 HB ILE A 52 109.560 -5.620 -13.974 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.642 -5.106 -13.198 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.517 -6.575 -12.810 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.974 -3.220 -13.699 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.254 -3.621 -15.410 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.592 -3.432 -14.801 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.581 -4.986 -10.902 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.218 -5.245 -11.553 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.329 -3.754 -11.946 1.00 0.00 H new ATOM 837 N LYS A 53 108.250 -5.528 -17.767 1.00 0.00 N ATOM 838 CA LYS A 53 109.030 -5.104 -18.972 1.00 0.00 C ATOM 839 C LYS A 53 109.326 -3.602 -18.919 1.00 0.00 C ATOM 840 O LYS A 53 110.378 -3.160 -19.342 1.00 0.00 O ATOM 841 CB LYS A 53 108.144 -5.425 -20.174 1.00 0.00 C ATOM 842 CG LYS A 53 108.966 -5.303 -21.459 1.00 0.00 C ATOM 843 CD LYS A 53 109.838 -6.549 -21.635 1.00 0.00 C ATOM 844 CE LYS A 53 110.984 -6.237 -22.600 1.00 0.00 C ATOM 845 NZ LYS A 53 110.356 -6.215 -23.949 1.00 0.00 N ATOM 0 H LYS A 53 107.238 -5.556 -17.892 1.00 0.00 H new ATOM 0 HA LYS A 53 109.989 -5.619 -19.028 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.739 -6.433 -20.082 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.295 -4.742 -20.206 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.303 -5.187 -22.316 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.592 -4.412 -21.418 1.00 0.00 H new ATOM 0 HD2 LYS A 53 110.236 -6.867 -20.671 1.00 0.00 H new ATOM 0 HD3 LYS A 53 109.239 -7.374 -22.020 1.00 0.00 H new ATOM 0 HE2 LYS A 53 111.448 -5.279 -22.365 1.00 0.00 H new ATOM 0 HE3 LYS A 53 111.767 -6.993 -22.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 110.960 -6.730 -24.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 109.422 -6.669 -23.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 110.247 -5.230 -24.265 1.00 0.00 H new ATOM 859 N ASP A 54 108.409 -2.818 -18.402 1.00 0.00 N ATOM 860 CA ASP A 54 108.613 -1.328 -18.395 1.00 0.00 C ATOM 861 C ASP A 54 107.862 -0.679 -17.231 1.00 0.00 C ATOM 862 O ASP A 54 106.801 -1.128 -16.842 1.00 0.00 O ATOM 863 CB ASP A 54 108.047 -0.829 -19.726 1.00 0.00 C ATOM 864 CG ASP A 54 108.952 -1.276 -20.875 1.00 0.00 C ATOM 865 OD1 ASP A 54 108.718 -2.349 -21.402 1.00 0.00 O ATOM 866 OD2 ASP A 54 109.863 -0.536 -21.207 1.00 0.00 O ATOM 0 H ASP A 54 107.534 -3.139 -17.987 1.00 0.00 H new ATOM 0 HA ASP A 54 109.666 -1.074 -18.275 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.040 -1.219 -19.872 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.970 0.258 -19.714 1.00 0.00 H new ATOM 871 N LEU A 55 108.407 0.382 -16.678 1.00 0.00 N ATOM 872 CA LEU A 55 107.770 1.035 -15.493 1.00 0.00 C ATOM 873 C LEU A 55 107.596 2.541 -15.727 1.00 0.00 C ATOM 874 O LEU A 55 108.425 3.179 -16.350 1.00 0.00 O ATOM 875 CB LEU A 55 108.746 0.802 -14.337 1.00 0.00 C ATOM 876 CG LEU A 55 108.651 -0.649 -13.863 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.977 -1.067 -13.223 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.528 -0.776 -12.830 1.00 0.00 C ATOM 0 H LEU A 55 109.269 0.823 -17.000 1.00 0.00 H new ATOM 0 HA LEU A 55 106.779 0.625 -15.295 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.764 1.023 -14.658 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.517 1.479 -13.514 1.00 0.00 H new ATOM 0 HG LEU A 55 108.439 -1.294 -14.715 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.908 -2.101 -12.886 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.779 -0.977 -13.956 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.190 -0.421 -12.371 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.460 -1.810 -12.492 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.742 -0.129 -11.979 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.582 -0.479 -13.283 1.00 0.00 H new ATOM 890 N ARG A 56 106.522 3.105 -15.230 1.00 0.00 N ATOM 891 CA ARG A 56 106.364 4.592 -15.250 1.00 0.00 C ATOM 892 C ARG A 56 105.572 5.050 -14.016 1.00 0.00 C ATOM 893 O ARG A 56 104.860 4.272 -13.408 1.00 0.00 O ATOM 894 CB ARG A 56 105.603 4.901 -16.553 1.00 0.00 C ATOM 895 CG ARG A 56 104.155 4.388 -16.473 1.00 0.00 C ATOM 896 CD ARG A 56 103.690 3.909 -17.852 1.00 0.00 C ATOM 897 NE ARG A 56 103.696 5.128 -18.724 1.00 0.00 N ATOM 898 CZ ARG A 56 103.671 5.033 -20.041 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.635 3.868 -20.647 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.680 6.122 -20.758 1.00 0.00 N ATOM 0 H ARG A 56 105.745 2.596 -14.809 1.00 0.00 H new ATOM 0 HA ARG A 56 107.319 5.116 -15.219 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.604 5.976 -16.734 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.113 4.436 -17.397 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.089 3.571 -15.754 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.499 5.181 -16.115 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.357 3.142 -18.246 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.694 3.469 -17.799 1.00 0.00 H new ATOM 0 HE ARG A 56 103.720 6.051 -18.291 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.626 3.008 -20.099 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.616 3.823 -21.666 1.00 0.00 H new ATOM 0 HH21 ARG A 56 103.706 7.033 -20.301 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.661 6.062 -21.776 1.00 0.00 H new ATOM 914 N ILE A 57 105.694 6.300 -13.647 1.00 0.00 N ATOM 915 CA ILE A 57 104.885 6.835 -12.506 1.00 0.00 C ATOM 916 C ILE A 57 103.887 7.871 -13.034 1.00 0.00 C ATOM 917 O ILE A 57 104.252 8.778 -13.761 1.00 0.00 O ATOM 918 CB ILE A 57 105.897 7.483 -11.545 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.922 6.437 -11.080 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.158 8.037 -10.321 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.116 7.136 -10.421 1.00 0.00 C ATOM 0 H ILE A 57 106.319 6.975 -14.086 1.00 0.00 H new ATOM 0 HA ILE A 57 104.311 6.058 -12.000 1.00 0.00 H new ATOM 0 HB ILE A 57 106.412 8.291 -12.065 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.458 5.748 -10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.260 5.843 -11.929 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.875 8.496 -9.640 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.432 8.784 -10.642 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.641 7.225 -9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.839 6.389 -10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.587 7.807 -11.140 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.772 7.710 -9.561 1.00 0.00 H new ATOM 933 N LEU A 58 102.632 7.742 -12.674 1.00 0.00 N ATOM 934 CA LEU A 58 101.590 8.660 -13.233 1.00 0.00 C ATOM 935 C LEU A 58 101.521 9.950 -12.397 1.00 0.00 C ATOM 936 O LEU A 58 101.613 9.890 -11.185 1.00 0.00 O ATOM 937 CB LEU A 58 100.265 7.889 -13.141 1.00 0.00 C ATOM 938 CG LEU A 58 100.347 6.597 -13.962 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.117 5.733 -13.678 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.396 6.931 -15.455 1.00 0.00 C ATOM 0 H LEU A 58 102.285 7.042 -12.018 1.00 0.00 H new ATOM 0 HA LEU A 58 101.812 8.951 -14.260 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.044 7.654 -12.100 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.448 8.510 -13.508 1.00 0.00 H new ATOM 0 HG LEU A 58 101.250 6.054 -13.684 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.175 4.814 -14.262 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.082 5.487 -12.617 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.216 6.281 -13.953 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.454 6.008 -16.033 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.496 7.478 -15.735 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.273 7.545 -15.662 1.00 0.00 H new