USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 ASN : amide:sc= -1.03 K(o=0.072,f=-4!) USER MOD Set 1.2: A 19 SER OG : rot -93:sc= 1.1 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.121 K(o=-0.12,f=-3!) USER MOD Single : A 16 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -57:sc= -0.0191 USER MOD Single : A 27 ASN : amide:sc=-0.00506 X(o=-0.0051,f=-0.0051) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00705 USER MOD Single : A 32 ASN : amide:sc= -4.24! C(o=-4.2!,f=-10!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.548 K(o=-0.55,f=-5.3!) USER MOD Single : A 41 ASN : amide:sc= -0.62 K(o=-0.62,f=-4!) USER MOD Single : A 43 SER OG : rot 68:sc= 0.106 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 20:sc= 0.979! USER MOD Single : A 49 THR OG1 : rot -82:sc= -0.0139 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 137:sc= -0.0706 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 103.286 2.491 -1.572 1.00 0.00 N ATOM 152 CA GLY A 8 102.066 3.345 -1.425 1.00 0.00 C ATOM 153 C GLY A 8 102.001 4.404 -2.540 1.00 0.00 C ATOM 154 O GLY A 8 101.075 5.193 -2.587 1.00 0.00 O ATOM 0 HA2 GLY A 8 101.173 2.720 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 8 102.075 3.836 -0.452 1.00 0.00 H new ATOM 158 N SER A 9 102.967 4.434 -3.433 1.00 0.00 N ATOM 159 CA SER A 9 102.902 5.390 -4.583 1.00 0.00 C ATOM 160 C SER A 9 102.125 4.762 -5.743 1.00 0.00 C ATOM 161 O SER A 9 102.157 3.560 -5.939 1.00 0.00 O ATOM 162 CB SER A 9 104.356 5.640 -4.984 1.00 0.00 C ATOM 163 OG SER A 9 104.398 6.623 -6.010 1.00 0.00 O ATOM 0 H SER A 9 103.795 3.838 -3.413 1.00 0.00 H new ATOM 0 HA SER A 9 102.392 6.317 -4.319 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.931 5.974 -4.120 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.813 4.714 -5.333 1.00 0.00 H new ATOM 0 HG SER A 9 105.329 6.787 -6.268 1.00 0.00 H new ATOM 169 N ASN A 10 101.431 5.565 -6.512 1.00 0.00 N ATOM 170 CA ASN A 10 100.681 5.025 -7.687 1.00 0.00 C ATOM 171 C ASN A 10 101.562 5.069 -8.935 1.00 0.00 C ATOM 172 O ASN A 10 101.931 6.129 -9.411 1.00 0.00 O ATOM 173 CB ASN A 10 99.472 5.948 -7.853 1.00 0.00 C ATOM 174 CG ASN A 10 98.416 5.265 -8.727 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.745 4.524 -9.634 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.152 5.485 -8.492 1.00 0.00 N ATOM 0 H ASN A 10 101.352 6.573 -6.376 1.00 0.00 H new ATOM 0 HA ASN A 10 100.380 3.987 -7.542 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.050 6.189 -6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.781 6.889 -8.308 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.440 5.036 -9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.875 6.106 -7.732 1.00 0.00 H new ATOM 183 N VAL A 11 101.898 3.922 -9.465 1.00 0.00 N ATOM 184 CA VAL A 11 102.719 3.867 -10.712 1.00 0.00 C ATOM 185 C VAL A 11 102.076 2.897 -11.706 1.00 0.00 C ATOM 186 O VAL A 11 101.224 2.107 -11.340 1.00 0.00 O ATOM 187 CB VAL A 11 104.109 3.366 -10.277 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.748 4.385 -9.332 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.991 2.015 -9.556 1.00 0.00 C ATOM 0 H VAL A 11 101.637 3.013 -9.084 1.00 0.00 H new ATOM 0 HA VAL A 11 102.790 4.837 -11.204 1.00 0.00 H new ATOM 0 HB VAL A 11 104.729 3.243 -11.165 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.732 4.029 -9.025 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.852 5.341 -9.844 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.117 4.511 -8.452 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.982 1.675 -9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.363 2.128 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.544 1.282 -10.228 1.00 0.00 H new ATOM 199 N GLU A 12 102.471 2.950 -12.954 1.00 0.00 N ATOM 200 CA GLU A 12 101.979 1.941 -13.938 1.00 0.00 C ATOM 201 C GLU A 12 103.164 1.148 -14.493 1.00 0.00 C ATOM 202 O GLU A 12 104.249 1.669 -14.651 1.00 0.00 O ATOM 203 CB GLU A 12 101.300 2.761 -15.041 1.00 0.00 C ATOM 204 CG GLU A 12 100.701 1.826 -16.098 1.00 0.00 C ATOM 205 CD GLU A 12 99.945 2.648 -17.145 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.450 3.689 -17.534 1.00 0.00 O ATOM 207 OE2 GLU A 12 98.872 2.223 -17.540 1.00 0.00 O ATOM 0 H GLU A 12 103.112 3.648 -13.332 1.00 0.00 H new ATOM 0 HA GLU A 12 101.291 1.220 -13.497 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.517 3.386 -14.611 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.024 3.431 -15.505 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.492 1.248 -16.577 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.026 1.112 -15.626 1.00 0.00 H new ATOM 214 N VAL A 13 102.963 -0.111 -14.782 1.00 0.00 N ATOM 215 CA VAL A 13 104.061 -0.934 -15.368 1.00 0.00 C ATOM 216 C VAL A 13 103.526 -1.737 -16.553 1.00 0.00 C ATOM 217 O VAL A 13 102.405 -2.212 -16.525 1.00 0.00 O ATOM 218 CB VAL A 13 104.526 -1.863 -14.232 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.417 -2.852 -13.847 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.753 -2.651 -14.690 1.00 0.00 C ATOM 0 H VAL A 13 102.083 -0.606 -14.637 1.00 0.00 H new ATOM 0 HA VAL A 13 104.885 -0.327 -15.742 1.00 0.00 H new ATOM 0 HB VAL A 13 104.770 -1.250 -13.365 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.769 -3.498 -13.043 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.538 -2.301 -13.512 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.155 -3.460 -14.713 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.083 -3.309 -13.887 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.496 -3.248 -15.565 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.555 -1.959 -14.945 1.00 0.00 H new ATOM 230 N LEU A 14 104.310 -1.893 -17.588 1.00 0.00 N ATOM 231 CA LEU A 14 103.913 -2.856 -18.659 1.00 0.00 C ATOM 232 C LEU A 14 104.612 -4.187 -18.427 1.00 0.00 C ATOM 233 O LEU A 14 105.791 -4.232 -18.126 1.00 0.00 O ATOM 234 CB LEU A 14 104.352 -2.277 -20.013 1.00 0.00 C ATOM 235 CG LEU A 14 103.922 -0.806 -20.219 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.696 -0.580 -21.716 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.630 -0.467 -19.458 1.00 0.00 C ATOM 0 H LEU A 14 105.193 -1.405 -17.738 1.00 0.00 H new ATOM 0 HA LEU A 14 102.834 -3.012 -18.646 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.437 -2.346 -20.095 1.00 0.00 H new ATOM 0 HB3 LEU A 14 103.933 -2.886 -20.814 1.00 0.00 H new ATOM 0 HG LEU A 14 104.709 -0.159 -19.831 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.391 0.453 -21.886 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.621 -0.780 -22.258 1.00 0.00 H new ATOM 0 HD13 LEU A 14 102.915 -1.252 -22.072 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.368 0.576 -19.633 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.822 -1.108 -19.810 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.783 -0.628 -18.391 1.00 0.00 H new ATOM 249 N LEU A 15 103.894 -5.267 -18.564 1.00 0.00 N ATOM 250 CA LEU A 15 104.529 -6.607 -18.396 1.00 0.00 C ATOM 251 C LEU A 15 105.192 -7.039 -19.706 1.00 0.00 C ATOM 252 O LEU A 15 105.099 -6.361 -20.712 1.00 0.00 O ATOM 253 CB LEU A 15 103.390 -7.562 -18.024 1.00 0.00 C ATOM 254 CG LEU A 15 102.787 -7.152 -16.677 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.496 -7.937 -16.436 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.783 -7.459 -15.556 1.00 0.00 C ATOM 0 H LEU A 15 102.898 -5.281 -18.784 1.00 0.00 H new ATOM 0 HA LEU A 15 105.305 -6.599 -17.631 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.622 -7.545 -18.797 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.764 -8.584 -17.969 1.00 0.00 H new ATOM 0 HG LEU A 15 102.569 -6.084 -16.688 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.067 -7.646 -15.478 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.785 -7.721 -17.233 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.716 -9.005 -16.425 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.354 -7.167 -14.598 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.001 -8.527 -15.546 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.704 -6.902 -15.725 1.00 0.00 H new ATOM 268 N ASN A 16 105.861 -8.166 -19.694 1.00 0.00 N ATOM 269 CA ASN A 16 106.610 -8.636 -20.913 1.00 0.00 C ATOM 270 C ASN A 16 105.678 -8.774 -22.128 1.00 0.00 C ATOM 271 O ASN A 16 106.123 -8.741 -23.261 1.00 0.00 O ATOM 272 CB ASN A 16 107.208 -10.002 -20.530 1.00 0.00 C ATOM 273 CG ASN A 16 106.096 -10.981 -20.130 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.213 -11.270 -20.914 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.103 -11.505 -18.935 1.00 0.00 N ATOM 0 H ASN A 16 105.924 -8.788 -18.888 1.00 0.00 H new ATOM 0 HA ASN A 16 107.380 -7.920 -21.201 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.773 -10.407 -21.370 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.908 -9.880 -19.704 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.368 -12.156 -18.659 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.843 -11.263 -18.276 1.00 0.00 H new ATOM 282 N ASN A 17 104.396 -8.928 -21.901 1.00 0.00 N ATOM 283 CA ASN A 17 103.449 -9.155 -23.039 1.00 0.00 C ATOM 284 C ASN A 17 102.704 -7.859 -23.412 1.00 0.00 C ATOM 285 O ASN A 17 101.612 -7.906 -23.947 1.00 0.00 O ATOM 286 CB ASN A 17 102.471 -10.236 -22.548 1.00 0.00 C ATOM 287 CG ASN A 17 101.704 -9.752 -21.312 1.00 0.00 C ATOM 288 OD1 ASN A 17 101.007 -8.760 -21.366 1.00 0.00 O ATOM 289 ND2 ASN A 17 101.806 -10.417 -20.194 1.00 0.00 N ATOM 0 H ASN A 17 103.964 -8.906 -20.977 1.00 0.00 H new ATOM 0 HA ASN A 17 103.974 -9.468 -23.941 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.769 -10.486 -23.343 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.019 -11.147 -22.308 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.300 -10.103 -19.366 1.00 0.00 H new ATOM 0 HD22 ASN A 17 102.392 -11.251 -20.148 1.00 0.00 H new ATOM 296 N ASP A 18 103.280 -6.701 -23.131 1.00 0.00 N ATOM 297 CA ASP A 18 102.698 -5.401 -23.617 1.00 0.00 C ATOM 298 C ASP A 18 101.268 -5.211 -23.095 1.00 0.00 C ATOM 299 O ASP A 18 100.469 -4.524 -23.705 1.00 0.00 O ATOM 300 CB ASP A 18 102.708 -5.473 -25.152 1.00 0.00 C ATOM 301 CG ASP A 18 104.153 -5.551 -25.652 1.00 0.00 C ATOM 302 OD1 ASP A 18 104.652 -6.656 -25.790 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.734 -4.505 -25.889 1.00 0.00 O ATOM 0 H ASP A 18 104.134 -6.605 -22.582 1.00 0.00 H new ATOM 0 HA ASP A 18 103.279 -4.553 -23.255 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.148 -6.345 -25.489 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.214 -4.596 -25.571 1.00 0.00 H new ATOM 308 N SER A 19 100.939 -5.815 -21.975 1.00 0.00 N ATOM 309 CA SER A 19 99.670 -5.457 -21.276 1.00 0.00 C ATOM 310 C SER A 19 99.985 -4.471 -20.153 1.00 0.00 C ATOM 311 O SER A 19 100.906 -4.677 -19.383 1.00 0.00 O ATOM 312 CB SER A 19 99.130 -6.771 -20.710 1.00 0.00 C ATOM 313 OG SER A 19 99.972 -7.213 -19.652 1.00 0.00 O ATOM 0 H SER A 19 101.496 -6.538 -21.519 1.00 0.00 H new ATOM 0 HA SER A 19 98.941 -4.987 -21.936 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.112 -6.631 -20.345 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.086 -7.527 -21.494 1.00 0.00 H new ATOM 0 HG SER A 19 100.645 -7.831 -20.006 1.00 0.00 H new ATOM 319 N LYS A 20 99.233 -3.406 -20.051 1.00 0.00 N ATOM 320 CA LYS A 20 99.606 -2.316 -19.098 1.00 0.00 C ATOM 321 C LYS A 20 98.625 -2.278 -17.921 1.00 0.00 C ATOM 322 O LYS A 20 97.425 -2.373 -18.099 1.00 0.00 O ATOM 323 CB LYS A 20 99.510 -1.005 -19.902 1.00 0.00 C ATOM 324 CG LYS A 20 100.145 -1.162 -21.294 1.00 0.00 C ATOM 325 CD LYS A 20 100.187 0.199 -21.994 1.00 0.00 C ATOM 326 CE LYS A 20 100.695 0.021 -23.426 1.00 0.00 C ATOM 327 NZ LYS A 20 100.111 1.161 -24.186 1.00 0.00 N ATOM 0 H LYS A 20 98.379 -3.243 -20.584 1.00 0.00 H new ATOM 0 HA LYS A 20 100.604 -2.470 -18.688 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.465 -0.714 -20.006 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.011 -0.204 -19.359 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.153 -1.566 -21.202 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.570 -1.871 -21.889 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.193 0.646 -22.002 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.839 0.881 -21.448 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.784 0.038 -23.463 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.377 -0.935 -23.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.415 1.108 -25.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.073 1.115 -24.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.437 2.058 -23.772 1.00 0.00 H new ATOM 341 N ALA A 21 99.137 -2.138 -16.721 1.00 0.00 N ATOM 342 CA ALA A 21 98.251 -1.999 -15.525 1.00 0.00 C ATOM 343 C ALA A 21 98.856 -0.994 -14.539 1.00 0.00 C ATOM 344 O ALA A 21 100.061 -0.835 -14.473 1.00 0.00 O ATOM 345 CB ALA A 21 98.198 -3.395 -14.904 1.00 0.00 C ATOM 0 H ALA A 21 100.137 -2.114 -16.519 1.00 0.00 H new ATOM 0 HA ALA A 21 97.258 -1.634 -15.785 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.564 -3.375 -14.017 1.00 0.00 H new ATOM 0 HB2 ALA A 21 97.788 -4.100 -15.627 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.204 -3.707 -14.624 1.00 0.00 H new ATOM 351 N ARG A 22 98.031 -0.319 -13.773 1.00 0.00 N ATOM 352 CA ARG A 22 98.556 0.682 -12.792 1.00 0.00 C ATOM 353 C ARG A 22 97.828 0.544 -11.453 1.00 0.00 C ATOM 354 O ARG A 22 96.727 0.028 -11.391 1.00 0.00 O ATOM 355 CB ARG A 22 98.290 2.059 -13.425 1.00 0.00 C ATOM 356 CG ARG A 22 96.787 2.261 -13.667 1.00 0.00 C ATOM 357 CD ARG A 22 96.567 3.541 -14.479 1.00 0.00 C ATOM 358 NE ARG A 22 95.080 3.719 -14.545 1.00 0.00 N ATOM 359 CZ ARG A 22 94.522 4.521 -15.432 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.241 5.207 -16.292 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.223 4.639 -15.454 1.00 0.00 N ATOM 0 H ARG A 22 97.016 -0.419 -13.786 1.00 0.00 H new ATOM 0 HA ARG A 22 99.617 0.538 -12.588 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.667 2.845 -12.771 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.830 2.142 -14.368 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.376 1.404 -14.200 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.260 2.327 -12.715 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.044 4.396 -14.001 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.997 3.452 -15.477 1.00 0.00 H new ATOM 0 HE ARG A 22 94.487 3.209 -13.890 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.258 5.127 -16.285 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.782 5.819 -16.966 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.652 4.115 -14.791 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.778 5.255 -16.134 1.00 0.00 H new ATOM 375 N GLY A 23 98.439 0.997 -10.386 1.00 0.00 N ATOM 376 CA GLY A 23 97.763 0.956 -9.057 1.00 0.00 C ATOM 377 C GLY A 23 98.705 1.510 -7.989 1.00 0.00 C ATOM 378 O GLY A 23 99.806 1.935 -8.286 1.00 0.00 O ATOM 0 H GLY A 23 99.379 1.394 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.844 1.542 -9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.480 -0.068 -8.812 1.00 0.00 H new ATOM 382 N VAL A 24 98.280 1.507 -6.750 1.00 0.00 N ATOM 383 CA VAL A 24 99.166 1.985 -5.644 1.00 0.00 C ATOM 384 C VAL A 24 99.920 0.794 -5.044 1.00 0.00 C ATOM 385 O VAL A 24 99.337 -0.233 -4.752 1.00 0.00 O ATOM 386 CB VAL A 24 98.227 2.618 -4.603 1.00 0.00 C ATOM 387 CG1 VAL A 24 99.049 3.182 -3.439 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.430 3.759 -5.246 1.00 0.00 C ATOM 0 H VAL A 24 97.355 1.193 -6.456 1.00 0.00 H new ATOM 0 HA VAL A 24 99.910 2.703 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 24 97.543 1.853 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.380 3.629 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.616 2.378 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.736 3.941 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.767 4.203 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 24 98.118 4.518 -5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.838 3.368 -6.074 1.00 0.00 H new ATOM 398 N ILE A 25 101.210 0.929 -4.861 1.00 0.00 N ATOM 399 CA ILE A 25 102.023 -0.214 -4.327 1.00 0.00 C ATOM 400 C ILE A 25 101.602 -0.538 -2.885 1.00 0.00 C ATOM 401 O ILE A 25 101.395 0.345 -2.074 1.00 0.00 O ATOM 402 CB ILE A 25 103.486 0.266 -4.397 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.929 0.305 -5.862 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.406 -0.682 -3.613 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.172 1.185 -6.001 1.00 0.00 C ATOM 0 H ILE A 25 101.738 1.780 -5.057 1.00 0.00 H new ATOM 0 HA ILE A 25 101.881 -1.131 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 25 103.553 1.260 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 25 104.145 -0.704 -6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 25 103.124 0.695 -6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.434 -0.325 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.094 -0.711 -2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.343 -1.684 -4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.485 1.211 -7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.941 2.196 -5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.977 0.776 -5.391 1.00 0.00 H new ATOM 417 N THR A 26 101.479 -1.807 -2.575 1.00 0.00 N ATOM 418 CA THR A 26 101.037 -2.219 -1.209 1.00 0.00 C ATOM 419 C THR A 26 102.037 -3.188 -0.559 1.00 0.00 C ATOM 420 O THR A 26 101.990 -3.395 0.639 1.00 0.00 O ATOM 421 CB THR A 26 99.687 -2.908 -1.418 1.00 0.00 C ATOM 422 OG1 THR A 26 99.813 -3.898 -2.428 1.00 0.00 O ATOM 423 CG2 THR A 26 98.642 -1.873 -1.840 1.00 0.00 C ATOM 0 H THR A 26 101.668 -2.578 -3.215 1.00 0.00 H new ATOM 0 HA THR A 26 100.968 -1.361 -0.540 1.00 0.00 H new ATOM 0 HB THR A 26 99.371 -3.378 -0.487 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.139 -3.483 -3.254 1.00 0.00 H new ATOM 0 HG21 THR A 26 97.681 -2.366 -1.988 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.545 -1.116 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 26 98.954 -1.399 -2.771 1.00 0.00 H new ATOM 431 N ASN A 27 102.935 -3.789 -1.318 1.00 0.00 N ATOM 432 CA ASN A 27 103.991 -4.638 -0.678 1.00 0.00 C ATOM 433 C ASN A 27 105.205 -4.796 -1.598 1.00 0.00 C ATOM 434 O ASN A 27 105.093 -4.738 -2.807 1.00 0.00 O ATOM 435 CB ASN A 27 103.320 -5.992 -0.444 1.00 0.00 C ATOM 436 CG ASN A 27 104.210 -6.857 0.451 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.848 -7.779 -0.016 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.280 -6.596 1.728 1.00 0.00 N ATOM 0 H ASN A 27 102.979 -3.727 -2.335 1.00 0.00 H new ATOM 0 HA ASN A 27 104.361 -4.193 0.245 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.345 -5.851 0.023 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.148 -6.493 -1.396 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.870 -7.166 2.333 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.744 -5.822 2.120 1.00 0.00 H new ATOM 445 N PHE A 28 106.365 -4.992 -1.017 1.00 0.00 N ATOM 446 CA PHE A 28 107.589 -5.284 -1.823 1.00 0.00 C ATOM 447 C PHE A 28 108.532 -6.180 -1.017 1.00 0.00 C ATOM 448 O PHE A 28 108.801 -5.924 0.142 1.00 0.00 O ATOM 449 CB PHE A 28 108.229 -3.921 -2.085 1.00 0.00 C ATOM 450 CG PHE A 28 109.412 -3.984 -3.022 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.215 -4.284 -4.392 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.718 -3.742 -2.530 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.324 -4.341 -5.270 1.00 0.00 C ATOM 454 CE2 PHE A 28 111.827 -3.799 -3.409 1.00 0.00 C ATOM 455 CZ PHE A 28 111.630 -4.099 -4.779 1.00 0.00 C ATOM 0 H PHE A 28 106.515 -4.961 -0.009 1.00 0.00 H new ATOM 0 HA PHE A 28 107.364 -5.806 -2.753 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.479 -3.250 -2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.549 -3.490 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.219 -4.469 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 28 110.868 -3.514 -1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.174 -4.569 -6.315 1.00 0.00 H new ATOM 0 HE2 PHE A 28 112.823 -3.614 -3.035 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.476 -4.143 -5.449 1.00 0.00 H new ATOM 465 N ASP A 29 109.035 -7.225 -1.625 1.00 0.00 N ATOM 466 CA ASP A 29 109.901 -8.192 -0.884 1.00 0.00 C ATOM 467 C ASP A 29 111.266 -8.294 -1.566 1.00 0.00 C ATOM 468 O ASP A 29 111.354 -8.608 -2.736 1.00 0.00 O ATOM 469 CB ASP A 29 109.157 -9.526 -0.962 1.00 0.00 C ATOM 470 CG ASP A 29 109.845 -10.551 -0.059 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.730 -11.237 -0.543 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.476 -10.633 1.101 1.00 0.00 O ATOM 0 H ASP A 29 108.882 -7.451 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 29 110.081 -7.889 0.147 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.120 -9.394 -0.655 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.141 -9.885 -1.991 1.00 0.00 H new ATOM 477 N SER A 30 112.325 -8.031 -0.840 1.00 0.00 N ATOM 478 CA SER A 30 113.692 -8.059 -1.454 1.00 0.00 C ATOM 479 C SER A 30 114.148 -9.503 -1.700 1.00 0.00 C ATOM 480 O SER A 30 114.908 -9.770 -2.612 1.00 0.00 O ATOM 481 CB SER A 30 114.608 -7.377 -0.437 1.00 0.00 C ATOM 482 OG SER A 30 114.711 -8.192 0.724 1.00 0.00 O ATOM 0 H SER A 30 112.303 -7.798 0.153 1.00 0.00 H new ATOM 0 HA SER A 30 113.709 -7.555 -2.420 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.595 -7.215 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.211 -6.397 -0.173 1.00 0.00 H new ATOM 0 HG SER A 30 115.299 -7.758 1.377 1.00 0.00 H new ATOM 488 N SER A 31 113.690 -10.434 -0.894 1.00 0.00 N ATOM 489 CA SER A 31 114.159 -11.853 -1.029 1.00 0.00 C ATOM 490 C SER A 31 113.734 -12.439 -2.381 1.00 0.00 C ATOM 491 O SER A 31 114.504 -13.114 -3.039 1.00 0.00 O ATOM 492 CB SER A 31 113.489 -12.616 0.116 1.00 0.00 C ATOM 493 OG SER A 31 113.698 -11.913 1.334 1.00 0.00 O ATOM 0 H SER A 31 113.012 -10.273 -0.149 1.00 0.00 H new ATOM 0 HA SER A 31 115.246 -11.922 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 31 112.422 -12.722 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.901 -13.622 0.188 1.00 0.00 H new ATOM 0 HG SER A 31 113.269 -12.398 2.069 1.00 0.00 H new ATOM 499 N ASN A 32 112.516 -12.186 -2.796 1.00 0.00 N ATOM 500 CA ASN A 32 112.027 -12.739 -4.100 1.00 0.00 C ATOM 501 C ASN A 32 111.526 -11.622 -5.033 1.00 0.00 C ATOM 502 O ASN A 32 111.009 -11.893 -6.101 1.00 0.00 O ATOM 503 CB ASN A 32 110.876 -13.671 -3.722 1.00 0.00 C ATOM 504 CG ASN A 32 110.548 -14.585 -4.904 1.00 0.00 C ATOM 505 OD1 ASN A 32 109.539 -14.414 -5.558 1.00 0.00 O ATOM 506 ND2 ASN A 32 111.365 -15.557 -5.207 1.00 0.00 N ATOM 0 H ASN A 32 111.838 -11.619 -2.287 1.00 0.00 H new ATOM 0 HA ASN A 32 112.822 -13.252 -4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 32 111.149 -14.268 -2.852 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.998 -13.088 -3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 32 111.156 -16.173 -5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 32 112.212 -15.701 -4.658 1.00 0.00 H new ATOM 513 N SER A 33 111.675 -10.367 -4.645 1.00 0.00 N ATOM 514 CA SER A 33 111.202 -9.222 -5.501 1.00 0.00 C ATOM 515 C SER A 33 109.733 -9.410 -5.914 1.00 0.00 C ATOM 516 O SER A 33 109.421 -9.611 -7.075 1.00 0.00 O ATOM 517 CB SER A 33 112.123 -9.221 -6.728 1.00 0.00 C ATOM 518 OG SER A 33 113.474 -9.353 -6.303 1.00 0.00 O ATOM 0 H SER A 33 112.108 -10.088 -3.765 1.00 0.00 H new ATOM 0 HA SER A 33 111.246 -8.275 -4.964 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.858 -10.041 -7.396 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.996 -8.297 -7.292 1.00 0.00 H new ATOM 0 HG SER A 33 114.064 -9.354 -7.085 1.00 0.00 H new ATOM 524 N ILE A 34 108.832 -9.346 -4.963 1.00 0.00 N ATOM 525 CA ILE A 34 107.377 -9.512 -5.281 1.00 0.00 C ATOM 526 C ILE A 34 106.623 -8.227 -4.922 1.00 0.00 C ATOM 527 O ILE A 34 106.792 -7.681 -3.848 1.00 0.00 O ATOM 528 CB ILE A 34 106.892 -10.691 -4.417 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.758 -11.946 -4.674 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.426 -11.004 -4.742 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.679 -12.392 -6.146 1.00 0.00 C ATOM 0 H ILE A 34 109.042 -9.186 -3.978 1.00 0.00 H new ATOM 0 HA ILE A 34 107.205 -9.705 -6.340 1.00 0.00 H new ATOM 0 HB ILE A 34 106.982 -10.411 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.795 -11.734 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.425 -12.758 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.087 -11.839 -4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.812 -10.128 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.335 -11.268 -5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.299 -13.276 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.645 -12.628 -6.400 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.036 -11.588 -6.789 1.00 0.00 H new ATOM 543 N LEU A 35 105.793 -7.747 -5.816 1.00 0.00 N ATOM 544 CA LEU A 35 105.124 -6.426 -5.603 1.00 0.00 C ATOM 545 C LEU A 35 103.605 -6.578 -5.702 1.00 0.00 C ATOM 546 O LEU A 35 103.084 -7.046 -6.696 1.00 0.00 O ATOM 547 CB LEU A 35 105.653 -5.544 -6.737 1.00 0.00 C ATOM 548 CG LEU A 35 105.151 -4.108 -6.562 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.076 -3.352 -5.607 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.140 -3.409 -7.924 1.00 0.00 C ATOM 0 H LEU A 35 105.549 -8.216 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 35 105.332 -6.004 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.743 -5.559 -6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.324 -5.938 -7.699 1.00 0.00 H new ATOM 0 HG LEU A 35 104.143 -4.122 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.716 -2.330 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.086 -3.852 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.086 -3.334 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.783 -2.386 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.150 -3.396 -8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.479 -3.947 -8.604 1.00 0.00 H new ATOM 562 N GLN A 36 102.898 -6.183 -4.673 1.00 0.00 N ATOM 563 CA GLN A 36 101.409 -6.156 -4.746 1.00 0.00 C ATOM 564 C GLN A 36 100.939 -4.745 -5.091 1.00 0.00 C ATOM 565 O GLN A 36 101.335 -3.786 -4.457 1.00 0.00 O ATOM 566 CB GLN A 36 100.933 -6.553 -3.349 1.00 0.00 C ATOM 567 CG GLN A 36 101.175 -8.048 -3.133 1.00 0.00 C ATOM 568 CD GLN A 36 100.781 -8.433 -1.705 1.00 0.00 C ATOM 569 OE1 GLN A 36 100.962 -7.662 -0.782 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.245 -9.602 -1.482 1.00 0.00 N ATOM 0 H GLN A 36 103.292 -5.877 -3.783 1.00 0.00 H new ATOM 0 HA GLN A 36 101.016 -6.826 -5.510 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.465 -5.975 -2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.873 -6.325 -3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.593 -8.628 -3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.224 -8.285 -3.308 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.093 -10.249 -2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.978 -9.868 -0.534 1.00 0.00 H new ATOM 579 N LEU A 37 100.102 -4.613 -6.091 1.00 0.00 N ATOM 580 CA LEU A 37 99.581 -3.263 -6.469 1.00 0.00 C ATOM 581 C LEU A 37 98.084 -3.174 -6.167 1.00 0.00 C ATOM 582 O LEU A 37 97.305 -3.998 -6.609 1.00 0.00 O ATOM 583 CB LEU A 37 99.830 -3.142 -7.975 1.00 0.00 C ATOM 584 CG LEU A 37 101.334 -3.108 -8.252 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.584 -3.384 -9.736 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.890 -1.727 -7.895 1.00 0.00 C ATOM 0 H LEU A 37 99.757 -5.384 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 37 100.069 -2.464 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.374 -3.983 -8.497 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.360 -2.236 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 37 101.830 -3.868 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.655 -3.360 -9.935 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.189 -4.366 -9.995 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.086 -2.623 -10.337 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.962 -1.704 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.393 -0.968 -8.499 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.712 -1.525 -6.839 1.00 0.00 H new ATOM 598 N ARG A 38 97.682 -2.178 -5.416 1.00 0.00 N ATOM 599 CA ARG A 38 96.226 -1.987 -5.127 1.00 0.00 C ATOM 600 C ARG A 38 95.721 -0.711 -5.809 1.00 0.00 C ATOM 601 O ARG A 38 96.215 0.373 -5.557 1.00 0.00 O ATOM 602 CB ARG A 38 96.135 -1.863 -3.605 1.00 0.00 C ATOM 603 CG ARG A 38 94.665 -1.816 -3.177 1.00 0.00 C ATOM 604 CD ARG A 38 94.581 -1.631 -1.659 1.00 0.00 C ATOM 605 NE ARG A 38 93.122 -1.717 -1.337 1.00 0.00 N ATOM 606 CZ ARG A 38 92.487 -2.875 -1.307 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.102 -4.005 -1.573 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.217 -2.896 -1.010 1.00 0.00 N ATOM 0 H ARG A 38 98.300 -1.488 -4.990 1.00 0.00 H new ATOM 0 HA ARG A 38 95.615 -2.809 -5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.635 -2.708 -3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.649 -0.961 -3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.154 -0.997 -3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.160 -2.736 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.146 -2.402 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 38 94.996 -0.670 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 38 92.605 -0.861 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.094 -4.002 -1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 38 92.587 -4.885 -1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 38 90.727 -2.025 -0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 38 90.714 -3.783 -0.983 1.00 0.00 H new ATOM 622 N LEU A 39 94.739 -0.837 -6.666 1.00 0.00 N ATOM 623 CA LEU A 39 94.269 0.336 -7.465 1.00 0.00 C ATOM 624 C LEU A 39 92.970 0.905 -6.874 1.00 0.00 C ATOM 625 O LEU A 39 92.240 0.223 -6.174 1.00 0.00 O ATOM 626 CB LEU A 39 94.050 -0.227 -8.877 1.00 0.00 C ATOM 627 CG LEU A 39 93.521 0.857 -9.832 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.547 1.983 -9.994 1.00 0.00 C ATOM 629 CD2 LEU A 39 93.266 0.223 -11.198 1.00 0.00 C ATOM 0 H LEU A 39 94.240 -1.708 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 39 94.981 1.161 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.988 -0.628 -9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 39 93.343 -1.055 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 39 92.602 1.274 -9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.153 2.739 -10.673 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.746 2.436 -9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.473 1.576 -10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.890 0.980 -11.886 1.00 0.00 H new ATOM 0 HD22 LEU A 39 94.197 -0.191 -11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.529 -0.574 -11.097 1.00 0.00 H new ATOM 641 N ALA A 40 92.683 2.154 -7.167 1.00 0.00 N ATOM 642 CA ALA A 40 91.543 2.866 -6.496 1.00 0.00 C ATOM 643 C ALA A 40 90.180 2.263 -6.877 1.00 0.00 C ATOM 644 O ALA A 40 89.159 2.672 -6.354 1.00 0.00 O ATOM 645 CB ALA A 40 91.631 4.315 -6.983 1.00 0.00 C ATOM 0 H ALA A 40 93.194 2.716 -7.848 1.00 0.00 H new ATOM 0 HA ALA A 40 91.618 2.780 -5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.828 4.899 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.593 4.738 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.535 4.340 -8.068 1.00 0.00 H new ATOM 651 N ASN A 41 90.144 1.304 -7.776 1.00 0.00 N ATOM 652 CA ASN A 41 88.859 0.595 -8.077 1.00 0.00 C ATOM 653 C ASN A 41 88.643 -0.582 -7.106 1.00 0.00 C ATOM 654 O ASN A 41 88.026 -1.568 -7.462 1.00 0.00 O ATOM 655 CB ASN A 41 89.019 0.076 -9.509 1.00 0.00 C ATOM 656 CG ASN A 41 89.048 1.257 -10.482 1.00 0.00 C ATOM 657 OD1 ASN A 41 89.615 2.290 -10.186 1.00 0.00 O ATOM 658 ND2 ASN A 41 88.455 1.147 -11.639 1.00 0.00 N ATOM 0 H ASN A 41 90.950 0.983 -8.313 1.00 0.00 H new ATOM 0 HA ASN A 41 87.998 1.254 -7.968 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.938 -0.503 -9.596 1.00 0.00 H new ATOM 0 HB3 ASN A 41 88.196 -0.594 -9.758 1.00 0.00 H new ATOM 0 HD21 ASN A 41 88.468 1.928 -12.295 1.00 0.00 H new ATOM 0 HD22 ASN A 41 87.979 0.280 -11.888 1.00 0.00 H new ATOM 665 N ASP A 42 89.149 -0.493 -5.882 1.00 0.00 N ATOM 666 CA ASP A 42 88.921 -1.574 -4.860 1.00 0.00 C ATOM 667 C ASP A 42 89.438 -2.920 -5.384 1.00 0.00 C ATOM 668 O ASP A 42 88.926 -3.965 -5.027 1.00 0.00 O ATOM 669 CB ASP A 42 87.402 -1.633 -4.627 1.00 0.00 C ATOM 670 CG ASP A 42 86.918 -0.306 -4.036 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.599 0.220 -3.170 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.873 0.162 -4.460 1.00 0.00 O ATOM 0 H ASP A 42 89.713 0.290 -5.552 1.00 0.00 H new ATOM 0 HA ASP A 42 89.454 -1.363 -3.933 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.888 -1.832 -5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.160 -2.453 -3.951 1.00 0.00 H new ATOM 677 N SER A 43 90.451 -2.902 -6.228 1.00 0.00 N ATOM 678 CA SER A 43 91.022 -4.184 -6.744 1.00 0.00 C ATOM 679 C SER A 43 92.519 -4.258 -6.436 1.00 0.00 C ATOM 680 O SER A 43 93.241 -3.290 -6.591 1.00 0.00 O ATOM 681 CB SER A 43 90.782 -4.146 -8.254 1.00 0.00 C ATOM 682 OG SER A 43 89.390 -4.270 -8.511 1.00 0.00 O ATOM 0 H SER A 43 90.901 -2.056 -6.577 1.00 0.00 H new ATOM 0 HA SER A 43 90.562 -5.057 -6.282 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.159 -3.212 -8.670 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.327 -4.955 -8.741 1.00 0.00 H new ATOM 0 HG SER A 43 88.925 -3.469 -8.189 1.00 0.00 H new ATOM 688 N THR A 44 92.986 -5.403 -6.000 1.00 0.00 N ATOM 689 CA THR A 44 94.440 -5.562 -5.681 1.00 0.00 C ATOM 690 C THR A 44 94.991 -6.829 -6.344 1.00 0.00 C ATOM 691 O THR A 44 94.293 -7.817 -6.482 1.00 0.00 O ATOM 692 CB THR A 44 94.512 -5.661 -4.148 1.00 0.00 C ATOM 693 OG1 THR A 44 95.869 -5.803 -3.751 1.00 0.00 O ATOM 694 CG2 THR A 44 93.705 -6.867 -3.646 1.00 0.00 C ATOM 0 H THR A 44 92.420 -6.238 -5.851 1.00 0.00 H new ATOM 0 HA THR A 44 95.038 -4.730 -6.053 1.00 0.00 H new ATOM 0 HB THR A 44 94.089 -4.754 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.919 -5.865 -2.774 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.768 -6.920 -2.559 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.662 -6.757 -3.944 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.111 -7.782 -4.078 1.00 0.00 H new ATOM 702 N LYS A 45 96.236 -6.803 -6.751 1.00 0.00 N ATOM 703 CA LYS A 45 96.832 -7.993 -7.432 1.00 0.00 C ATOM 704 C LYS A 45 98.303 -8.154 -7.039 1.00 0.00 C ATOM 705 O LYS A 45 99.032 -7.185 -6.929 1.00 0.00 O ATOM 706 CB LYS A 45 96.703 -7.699 -8.927 1.00 0.00 C ATOM 707 CG LYS A 45 97.005 -8.969 -9.725 1.00 0.00 C ATOM 708 CD LYS A 45 97.037 -8.639 -11.219 1.00 0.00 C ATOM 709 CE LYS A 45 95.613 -8.386 -11.717 1.00 0.00 C ATOM 710 NZ LYS A 45 95.716 -8.406 -13.203 1.00 0.00 N ATOM 0 H LYS A 45 96.866 -6.008 -6.641 1.00 0.00 H new ATOM 0 HA LYS A 45 96.331 -8.920 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.697 -7.345 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.392 -6.905 -9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 45 97.962 -9.388 -9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.246 -9.726 -9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 45 97.657 -7.760 -11.395 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.487 -9.462 -11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 45 94.927 -9.153 -11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 45 95.234 -7.428 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 94.777 -8.239 -13.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 96.370 -7.661 -13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 96.073 -9.332 -13.514 1.00 0.00 H new ATOM 724 N SER A 46 98.739 -9.373 -6.827 1.00 0.00 N ATOM 725 CA SER A 46 100.174 -9.616 -6.489 1.00 0.00 C ATOM 726 C SER A 46 100.949 -10.010 -7.748 1.00 0.00 C ATOM 727 O SER A 46 100.642 -11.000 -8.388 1.00 0.00 O ATOM 728 CB SER A 46 100.155 -10.770 -5.486 1.00 0.00 C ATOM 729 OG SER A 46 99.710 -11.952 -6.139 1.00 0.00 O ATOM 0 H SER A 46 98.160 -10.211 -6.874 1.00 0.00 H new ATOM 0 HA SER A 46 100.660 -8.731 -6.079 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.151 -10.923 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.495 -10.531 -4.652 1.00 0.00 H new ATOM 0 HG SER A 46 99.828 -11.855 -7.107 1.00 0.00 H new ATOM 735 N ILE A 47 101.950 -9.242 -8.106 1.00 0.00 N ATOM 736 CA ILE A 47 102.736 -9.547 -9.342 1.00 0.00 C ATOM 737 C ILE A 47 104.231 -9.544 -9.011 1.00 0.00 C ATOM 738 O ILE A 47 104.733 -8.619 -8.397 1.00 0.00 O ATOM 739 CB ILE A 47 102.394 -8.422 -10.335 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.883 -8.405 -10.609 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.136 -8.655 -11.656 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.512 -7.123 -11.360 1.00 0.00 C ATOM 0 H ILE A 47 102.257 -8.415 -7.594 1.00 0.00 H new ATOM 0 HA ILE A 47 102.497 -10.526 -9.757 1.00 0.00 H new ATOM 0 HB ILE A 47 102.698 -7.468 -9.903 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.600 -9.278 -11.197 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.332 -8.461 -9.670 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.891 -7.857 -12.356 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.211 -8.661 -11.474 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.834 -9.613 -12.079 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.439 -7.112 -11.554 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.780 -6.257 -10.755 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.052 -7.086 -12.306 1.00 0.00 H new ATOM 754 N VAL A 48 104.941 -10.568 -9.412 1.00 0.00 N ATOM 755 CA VAL A 48 106.418 -10.597 -9.172 1.00 0.00 C ATOM 756 C VAL A 48 107.101 -9.609 -10.122 1.00 0.00 C ATOM 757 O VAL A 48 106.779 -9.541 -11.291 1.00 0.00 O ATOM 758 CB VAL A 48 106.873 -12.040 -9.459 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.363 -12.189 -9.118 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.045 -13.036 -8.625 1.00 0.00 C ATOM 0 H VAL A 48 104.564 -11.384 -9.894 1.00 0.00 H new ATOM 0 HA VAL A 48 106.677 -10.310 -8.153 1.00 0.00 H new ATOM 0 HB VAL A 48 106.720 -12.255 -10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.682 -13.211 -9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.946 -11.498 -9.727 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.519 -11.964 -8.063 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.377 -14.052 -8.837 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.181 -12.824 -7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.990 -12.937 -8.882 1.00 0.00 H new ATOM 770 N THR A 49 108.041 -8.846 -9.625 1.00 0.00 N ATOM 771 CA THR A 49 108.645 -7.746 -10.449 1.00 0.00 C ATOM 772 C THR A 49 109.368 -8.304 -11.681 1.00 0.00 C ATOM 773 O THR A 49 109.530 -7.616 -12.672 1.00 0.00 O ATOM 774 CB THR A 49 109.636 -7.030 -9.525 1.00 0.00 C ATOM 775 OG1 THR A 49 110.592 -7.965 -9.045 1.00 0.00 O ATOM 776 CG2 THR A 49 108.888 -6.407 -8.343 1.00 0.00 C ATOM 0 H THR A 49 108.420 -8.935 -8.682 1.00 0.00 H new ATOM 0 HA THR A 49 107.876 -7.070 -10.823 1.00 0.00 H new ATOM 0 HB THR A 49 110.143 -6.242 -10.081 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.216 -8.457 -8.285 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.598 -5.900 -7.690 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.157 -5.688 -8.713 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.376 -7.190 -7.783 1.00 0.00 H new ATOM 784 N LYS A 50 109.805 -9.540 -11.631 1.00 0.00 N ATOM 785 CA LYS A 50 110.604 -10.106 -12.770 1.00 0.00 C ATOM 786 C LYS A 50 109.809 -10.054 -14.079 1.00 0.00 C ATOM 787 O LYS A 50 110.382 -10.022 -15.154 1.00 0.00 O ATOM 788 CB LYS A 50 110.907 -11.558 -12.382 1.00 0.00 C ATOM 789 CG LYS A 50 111.820 -11.584 -11.153 1.00 0.00 C ATOM 790 CD LYS A 50 113.224 -11.116 -11.546 1.00 0.00 C ATOM 791 CE LYS A 50 114.175 -11.302 -10.361 1.00 0.00 C ATOM 792 NZ LYS A 50 115.540 -11.130 -10.932 1.00 0.00 N ATOM 0 H LYS A 50 109.645 -10.181 -10.854 1.00 0.00 H new ATOM 0 HA LYS A 50 111.516 -9.533 -12.938 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.979 -12.089 -12.169 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.386 -12.074 -13.214 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.416 -10.939 -10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.864 -12.592 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 50 113.581 -11.684 -12.405 1.00 0.00 H new ATOM 0 HD3 LYS A 50 113.199 -10.068 -11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.979 -10.569 -9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 50 114.057 -12.288 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 116.248 -11.244 -10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 115.701 -11.846 -11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 115.625 -10.180 -11.347 1.00 0.00 H new ATOM 806 N ASP A 51 108.500 -10.046 -14.000 1.00 0.00 N ATOM 807 CA ASP A 51 107.679 -9.904 -15.246 1.00 0.00 C ATOM 808 C ASP A 51 107.430 -8.422 -15.586 1.00 0.00 C ATOM 809 O ASP A 51 106.628 -8.115 -16.450 1.00 0.00 O ATOM 810 CB ASP A 51 106.357 -10.645 -14.973 1.00 0.00 C ATOM 811 CG ASP A 51 105.622 -10.044 -13.767 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.429 -8.839 -13.746 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.259 -10.804 -12.884 1.00 0.00 O ATOM 0 H ASP A 51 107.967 -10.131 -13.134 1.00 0.00 H new ATOM 0 HA ASP A 51 108.196 -10.326 -16.108 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.718 -10.592 -15.855 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.560 -11.700 -14.790 1.00 0.00 H new ATOM 818 N ILE A 52 108.104 -7.503 -14.922 1.00 0.00 N ATOM 819 CA ILE A 52 107.990 -6.059 -15.320 1.00 0.00 C ATOM 820 C ILE A 52 108.811 -5.806 -16.588 1.00 0.00 C ATOM 821 O ILE A 52 110.026 -5.885 -16.576 1.00 0.00 O ATOM 822 CB ILE A 52 108.556 -5.252 -14.134 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.663 -5.463 -12.900 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.609 -3.751 -14.489 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.298 -4.784 -11.679 1.00 0.00 C ATOM 0 H ILE A 52 108.721 -7.689 -14.131 1.00 0.00 H new ATOM 0 HA ILE A 52 106.961 -5.772 -15.537 1.00 0.00 H new ATOM 0 HB ILE A 52 109.567 -5.597 -13.916 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.671 -5.050 -13.082 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.535 -6.529 -12.710 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.010 -3.191 -13.644 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.250 -3.605 -15.358 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.604 -3.395 -14.716 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.662 -4.936 -10.807 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.281 -5.217 -11.492 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.403 -3.716 -11.870 1.00 0.00 H new ATOM 837 N LYS A 53 108.151 -5.504 -17.679 1.00 0.00 N ATOM 838 CA LYS A 53 108.889 -5.067 -18.906 1.00 0.00 C ATOM 839 C LYS A 53 109.245 -3.583 -18.806 1.00 0.00 C ATOM 840 O LYS A 53 110.322 -3.170 -19.194 1.00 0.00 O ATOM 841 CB LYS A 53 107.928 -5.307 -20.072 1.00 0.00 C ATOM 842 CG LYS A 53 108.650 -5.057 -21.398 1.00 0.00 C ATOM 843 CD LYS A 53 107.666 -5.232 -22.557 1.00 0.00 C ATOM 844 CE LYS A 53 108.420 -5.139 -23.885 1.00 0.00 C ATOM 845 NZ LYS A 53 107.358 -4.986 -24.919 1.00 0.00 N ATOM 0 H LYS A 53 107.136 -5.541 -17.774 1.00 0.00 H new ATOM 0 HA LYS A 53 109.822 -5.615 -19.035 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.551 -6.329 -20.040 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.066 -4.646 -19.987 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.069 -4.051 -21.412 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.483 -5.751 -21.507 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.163 -6.196 -22.479 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.893 -4.465 -22.511 1.00 0.00 H new ATOM 0 HE2 LYS A 53 109.104 -4.290 -23.892 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.019 -6.032 -24.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 107.645 -4.260 -25.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.218 -5.892 -25.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.468 -4.699 -24.463 1.00 0.00 H new ATOM 859 N ASP A 54 108.347 -2.780 -18.286 1.00 0.00 N ATOM 860 CA ASP A 54 108.576 -1.295 -18.286 1.00 0.00 C ATOM 861 C ASP A 54 107.839 -0.630 -17.122 1.00 0.00 C ATOM 862 O ASP A 54 106.773 -1.059 -16.730 1.00 0.00 O ATOM 863 CB ASP A 54 108.013 -0.799 -19.619 1.00 0.00 C ATOM 864 CG ASP A 54 108.916 -1.260 -20.766 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.119 -1.091 -20.651 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.389 -1.773 -21.739 1.00 0.00 O ATOM 0 H ASP A 54 107.470 -3.084 -17.863 1.00 0.00 H new ATOM 0 HA ASP A 54 109.632 -1.053 -18.169 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.003 -1.182 -19.763 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.944 0.289 -19.613 1.00 0.00 H new ATOM 871 N LEU A 55 108.404 0.422 -16.573 1.00 0.00 N ATOM 872 CA LEU A 55 107.790 1.079 -15.377 1.00 0.00 C ATOM 873 C LEU A 55 107.617 2.586 -15.609 1.00 0.00 C ATOM 874 O LEU A 55 108.436 3.221 -16.246 1.00 0.00 O ATOM 875 CB LEU A 55 108.784 0.842 -14.238 1.00 0.00 C ATOM 876 CG LEU A 55 108.690 -0.607 -13.759 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.020 -1.027 -13.131 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.576 -0.729 -12.715 1.00 0.00 C ATOM 0 H LEU A 55 109.267 0.853 -16.905 1.00 0.00 H new ATOM 0 HA LEU A 55 106.801 0.674 -15.162 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.797 1.057 -14.577 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.573 1.522 -13.412 1.00 0.00 H new ATOM 0 HG LEU A 55 108.468 -1.254 -14.608 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.951 -2.060 -12.790 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.815 -0.941 -13.872 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.243 -0.379 -12.283 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.509 -1.762 -12.374 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.799 -0.080 -11.868 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.626 -0.432 -13.160 1.00 0.00 H new ATOM 890 N ARG A 56 106.553 3.154 -15.093 1.00 0.00 N ATOM 891 CA ARG A 56 106.394 4.641 -15.118 1.00 0.00 C ATOM 892 C ARG A 56 105.592 5.100 -13.890 1.00 0.00 C ATOM 893 O ARG A 56 104.876 4.322 -13.286 1.00 0.00 O ATOM 894 CB ARG A 56 105.645 4.949 -16.427 1.00 0.00 C ATOM 895 CG ARG A 56 104.194 4.441 -16.356 1.00 0.00 C ATOM 896 CD ARG A 56 103.737 3.957 -17.737 1.00 0.00 C ATOM 897 NE ARG A 56 103.771 5.169 -18.621 1.00 0.00 N ATOM 898 CZ ARG A 56 103.761 5.061 -19.936 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.716 3.891 -20.532 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.794 6.144 -20.663 1.00 0.00 N ATOM 0 H ARG A 56 105.784 2.648 -14.653 1.00 0.00 H new ATOM 0 HA ARG A 56 107.349 5.165 -15.081 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.651 6.023 -16.611 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.159 4.479 -17.265 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.120 3.628 -15.634 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.538 5.238 -16.006 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.396 3.176 -18.117 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.734 3.533 -17.692 1.00 0.00 H new ATOM 0 HE ARG A 56 103.803 6.096 -18.196 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.688 3.036 -19.976 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.709 3.837 -21.551 1.00 0.00 H new ATOM 0 HH21 ARG A 56 103.827 7.059 -20.214 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.787 6.076 -21.681 1.00 0.00 H new ATOM 914 N ILE A 57 105.710 6.351 -13.521 1.00 0.00 N ATOM 915 CA ILE A 57 104.908 6.880 -12.372 1.00 0.00 C ATOM 916 C ILE A 57 103.857 7.866 -12.895 1.00 0.00 C ATOM 917 O ILE A 57 104.168 8.770 -13.649 1.00 0.00 O ATOM 918 CB ILE A 57 105.918 7.587 -11.452 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.990 6.590 -10.987 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.189 8.143 -10.223 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.184 7.351 -10.403 1.00 0.00 C ATOM 0 H ILE A 57 106.327 7.031 -13.965 1.00 0.00 H new ATOM 0 HA ILE A 57 104.376 6.093 -11.837 1.00 0.00 H new ATOM 0 HB ILE A 57 106.391 8.400 -12.003 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.574 5.917 -10.238 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.314 5.973 -11.825 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.905 8.644 -9.571 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.429 8.856 -10.542 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.715 7.325 -9.680 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.943 6.641 -10.074 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.606 8.006 -11.165 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.854 7.949 -9.553 1.00 0.00 H new ATOM 933 N LEU A 58 102.618 7.697 -12.498 1.00 0.00 N ATOM 934 CA LEU A 58 101.526 8.563 -13.044 1.00 0.00 C ATOM 935 C LEU A 58 101.385 9.836 -12.192 1.00 0.00 C ATOM 936 O LEU A 58 101.727 9.826 -11.025 1.00 0.00 O ATOM 937 CB LEU A 58 100.249 7.719 -12.960 1.00 0.00 C ATOM 938 CG LEU A 58 100.386 6.469 -13.836 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.301 5.458 -13.457 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.234 6.852 -15.310 1.00 0.00 C ATOM 0 H LEU A 58 102.316 6.997 -11.820 1.00 0.00 H new ATOM 0 HA LEU A 58 101.731 8.880 -14.067 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.063 7.429 -11.926 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.392 8.309 -13.285 1.00 0.00 H new ATOM 0 HG LEU A 58 101.369 6.025 -13.678 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.398 4.569 -14.080 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.412 5.181 -12.409 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.318 5.904 -13.612 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.332 5.961 -15.930 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.253 7.299 -15.470 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.009 7.569 -15.581 1.00 0.00 H new