USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 ASN : amide:sc= 0.431 K(o=1.4,f=-7.7!) USER MOD Set 1.2: A 19 SER OG : rot -81:sc= 0.983 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.8!) USER MOD Single : A 16 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -64:sc= 0.777 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0016 USER MOD Single : A 32 ASN : amide:sc= -0.0463 X(o=-0.046,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 41 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.2) USER MOD Single : A 43 SER OG : rot 71:sc= 0.278 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= -0.832 (180deg=-0.842) USER MOD Single : A 46 SER OG : rot 7:sc= 0.66 USER MOD Single : A 49 THR OG1 : rot -83:sc= 0.155 USER MOD Single : A 50 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0395) USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.670 2.975 -1.472 1.00 0.00 N ATOM 152 CA GLY A 8 101.493 3.895 -1.515 1.00 0.00 C ATOM 153 C GLY A 8 101.564 4.804 -2.755 1.00 0.00 C ATOM 154 O GLY A 8 100.688 5.623 -2.971 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.571 3.314 -1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.467 4.504 -0.611 1.00 0.00 H new ATOM 158 N SER A 9 102.590 4.671 -3.570 1.00 0.00 N ATOM 159 CA SER A 9 102.697 5.526 -4.794 1.00 0.00 C ATOM 160 C SER A 9 101.952 4.872 -5.960 1.00 0.00 C ATOM 161 O SER A 9 101.933 3.662 -6.091 1.00 0.00 O ATOM 162 CB SER A 9 104.194 5.611 -5.096 1.00 0.00 C ATOM 163 OG SER A 9 104.404 6.503 -6.183 1.00 0.00 O ATOM 0 H SER A 9 103.354 4.008 -3.438 1.00 0.00 H new ATOM 0 HA SER A 9 102.257 6.512 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.735 5.958 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.584 4.623 -5.341 1.00 0.00 H new ATOM 0 HG SER A 9 105.363 6.561 -6.378 1.00 0.00 H new ATOM 169 N ASN A 10 101.339 5.665 -6.805 1.00 0.00 N ATOM 170 CA ASN A 10 100.626 5.098 -7.991 1.00 0.00 C ATOM 171 C ASN A 10 101.557 5.090 -9.205 1.00 0.00 C ATOM 172 O ASN A 10 101.961 6.129 -9.698 1.00 0.00 O ATOM 173 CB ASN A 10 99.440 6.032 -8.230 1.00 0.00 C ATOM 174 CG ASN A 10 98.400 5.329 -9.108 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.745 4.570 -9.993 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.131 5.550 -8.897 1.00 0.00 N ATOM 0 H ASN A 10 101.302 6.681 -6.724 1.00 0.00 H new ATOM 0 HA ASN A 10 100.303 4.070 -7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.993 6.319 -7.278 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.778 6.949 -8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.430 5.086 -9.474 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.841 6.187 -8.155 1.00 0.00 H new ATOM 183 N VAL A 11 101.895 3.922 -9.687 1.00 0.00 N ATOM 184 CA VAL A 11 102.781 3.817 -10.886 1.00 0.00 C ATOM 185 C VAL A 11 102.147 2.874 -11.913 1.00 0.00 C ATOM 186 O VAL A 11 101.265 2.102 -11.586 1.00 0.00 O ATOM 187 CB VAL A 11 104.117 3.250 -10.373 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.753 4.242 -9.397 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.893 1.911 -9.655 1.00 0.00 C ATOM 0 H VAL A 11 101.593 3.029 -9.298 1.00 0.00 H new ATOM 0 HA VAL A 11 102.927 4.780 -11.376 1.00 0.00 H new ATOM 0 HB VAL A 11 104.777 3.090 -11.225 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.699 3.840 -9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.933 5.189 -9.906 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.081 4.405 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.848 1.525 -9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.223 2.060 -8.808 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.448 1.197 -10.348 1.00 0.00 H new ATOM 199 N GLU A 12 102.586 2.930 -13.147 1.00 0.00 N ATOM 200 CA GLU A 12 102.108 1.942 -14.158 1.00 0.00 C ATOM 201 C GLU A 12 103.296 1.130 -14.680 1.00 0.00 C ATOM 202 O GLU A 12 104.397 1.629 -14.794 1.00 0.00 O ATOM 203 CB GLU A 12 101.484 2.787 -15.275 1.00 0.00 C ATOM 204 CG GLU A 12 100.937 1.874 -16.382 1.00 0.00 C ATOM 205 CD GLU A 12 100.190 2.715 -17.421 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.685 3.776 -17.766 1.00 0.00 O ATOM 207 OE2 GLU A 12 99.134 2.284 -17.853 1.00 0.00 O ATOM 0 H GLU A 12 103.254 3.617 -13.495 1.00 0.00 H new ATOM 0 HA GLU A 12 101.390 1.231 -13.750 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.681 3.403 -14.871 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.230 3.466 -15.688 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.755 1.333 -16.858 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.267 1.128 -15.954 1.00 0.00 H new ATOM 214 N VAL A 13 103.078 -0.121 -14.990 1.00 0.00 N ATOM 215 CA VAL A 13 104.176 -0.960 -15.556 1.00 0.00 C ATOM 216 C VAL A 13 103.659 -1.742 -16.762 1.00 0.00 C ATOM 217 O VAL A 13 102.525 -2.187 -16.774 1.00 0.00 O ATOM 218 CB VAL A 13 104.595 -1.907 -14.416 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.457 -2.876 -14.067 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.816 -2.719 -14.853 1.00 0.00 C ATOM 0 H VAL A 13 102.184 -0.599 -14.875 1.00 0.00 H new ATOM 0 HA VAL A 13 105.021 -0.365 -15.903 1.00 0.00 H new ATOM 0 HB VAL A 13 104.832 -1.306 -13.538 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.775 -3.535 -13.259 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.581 -2.310 -13.749 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.205 -3.472 -14.944 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.114 -3.390 -14.047 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.566 -3.304 -15.738 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.639 -2.043 -15.085 1.00 0.00 H new ATOM 230 N LEU A 14 104.472 -1.914 -17.772 1.00 0.00 N ATOM 231 CA LEU A 14 104.094 -2.875 -18.852 1.00 0.00 C ATOM 232 C LEU A 14 104.755 -4.219 -18.587 1.00 0.00 C ATOM 233 O LEU A 14 105.921 -4.287 -18.241 1.00 0.00 O ATOM 234 CB LEU A 14 104.603 -2.313 -20.190 1.00 0.00 C ATOM 235 CG LEU A 14 104.208 -0.837 -20.425 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.054 -0.616 -21.933 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.889 -0.474 -19.725 1.00 0.00 C ATOM 0 H LEU A 14 105.367 -1.440 -17.896 1.00 0.00 H new ATOM 0 HA LEU A 14 103.012 -3.008 -18.881 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.689 -2.401 -20.223 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.209 -2.921 -21.004 1.00 0.00 H new ATOM 0 HG LEU A 14 104.988 -0.200 -20.007 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.775 0.421 -22.122 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.999 -0.834 -22.431 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.279 -1.277 -22.320 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.651 0.572 -19.917 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.088 -1.105 -20.109 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.992 -0.631 -18.651 1.00 0.00 H new ATOM 249 N LEU A 15 104.021 -5.285 -18.746 1.00 0.00 N ATOM 250 CA LEU A 15 104.628 -6.635 -18.572 1.00 0.00 C ATOM 251 C LEU A 15 105.319 -7.068 -19.869 1.00 0.00 C ATOM 252 O LEU A 15 105.271 -6.376 -20.869 1.00 0.00 O ATOM 253 CB LEU A 15 103.463 -7.574 -18.239 1.00 0.00 C ATOM 254 CG LEU A 15 102.839 -7.170 -16.900 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.528 -7.931 -16.697 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.804 -7.513 -15.762 1.00 0.00 C ATOM 0 H LEU A 15 103.030 -5.281 -18.988 1.00 0.00 H new ATOM 0 HA LEU A 15 105.383 -6.646 -17.786 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.712 -7.532 -19.028 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.816 -8.604 -18.190 1.00 0.00 H new ATOM 0 HG LEU A 15 102.643 -6.098 -16.902 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.084 -7.643 -15.744 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.838 -7.690 -17.506 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.726 -9.003 -16.696 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.360 -7.225 -14.809 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.000 -8.585 -15.762 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.740 -6.973 -15.904 1.00 0.00 H new ATOM 268 N ASN A 16 105.960 -8.211 -19.852 1.00 0.00 N ATOM 269 CA ASN A 16 106.729 -8.687 -21.057 1.00 0.00 C ATOM 270 C ASN A 16 105.828 -8.788 -22.300 1.00 0.00 C ATOM 271 O ASN A 16 106.306 -8.762 -23.419 1.00 0.00 O ATOM 272 CB ASN A 16 107.281 -10.072 -20.675 1.00 0.00 C ATOM 273 CG ASN A 16 106.133 -11.026 -20.315 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.265 -11.283 -21.125 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.095 -11.560 -19.125 1.00 0.00 N ATOM 0 H ASN A 16 105.987 -8.843 -19.052 1.00 0.00 H new ATOM 0 HA ASN A 16 107.524 -7.987 -21.316 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.857 -10.482 -21.505 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.963 -9.978 -19.830 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.336 -12.194 -18.874 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.824 -11.344 -18.445 1.00 0.00 H new ATOM 282 N ASN A 17 104.536 -8.900 -22.109 1.00 0.00 N ATOM 283 CA ASN A 17 103.613 -9.081 -23.273 1.00 0.00 C ATOM 284 C ASN A 17 102.957 -7.748 -23.673 1.00 0.00 C ATOM 285 O ASN A 17 101.888 -7.735 -24.254 1.00 0.00 O ATOM 286 CB ASN A 17 102.558 -10.096 -22.797 1.00 0.00 C ATOM 287 CG ASN A 17 101.757 -9.542 -21.606 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.171 -8.601 -20.960 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.619 -10.098 -21.291 1.00 0.00 N ATOM 0 H ASN A 17 104.080 -8.874 -21.197 1.00 0.00 H new ATOM 0 HA ASN A 17 104.143 -9.432 -24.158 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.880 -10.333 -23.617 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.047 -11.027 -22.509 1.00 0.00 H new ATOM 0 HD21 ASN A 17 100.078 -9.742 -20.503 1.00 0.00 H new ATOM 0 HD22 ASN A 17 100.270 -10.889 -21.833 1.00 0.00 H new ATOM 296 N ASP A 18 103.585 -6.622 -23.365 1.00 0.00 N ATOM 297 CA ASP A 18 103.052 -5.286 -23.805 1.00 0.00 C ATOM 298 C ASP A 18 101.623 -5.074 -23.284 1.00 0.00 C ATOM 299 O ASP A 18 100.850 -4.336 -23.867 1.00 0.00 O ATOM 300 CB ASP A 18 103.073 -5.300 -25.341 1.00 0.00 C ATOM 301 CG ASP A 18 104.520 -5.304 -25.836 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.313 -6.052 -25.286 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.813 -4.559 -26.756 1.00 0.00 O ATOM 0 H ASP A 18 104.449 -6.577 -22.824 1.00 0.00 H new ATOM 0 HA ASP A 18 103.657 -4.470 -23.409 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.548 -6.180 -25.714 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.548 -4.427 -25.730 1.00 0.00 H new ATOM 308 N SER A 19 101.271 -5.717 -22.192 1.00 0.00 N ATOM 309 CA SER A 19 99.982 -5.400 -21.514 1.00 0.00 C ATOM 310 C SER A 19 100.251 -4.420 -20.374 1.00 0.00 C ATOM 311 O SER A 19 101.162 -4.612 -19.590 1.00 0.00 O ATOM 312 CB SER A 19 99.469 -6.736 -20.975 1.00 0.00 C ATOM 313 OG SER A 19 100.323 -7.182 -19.929 1.00 0.00 O ATOM 0 H SER A 19 101.825 -6.447 -21.745 1.00 0.00 H new ATOM 0 HA SER A 19 99.252 -4.940 -22.180 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.450 -6.624 -20.605 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.438 -7.476 -21.775 1.00 0.00 H new ATOM 0 HG SER A 19 101.117 -7.608 -20.314 1.00 0.00 H new ATOM 319 N LYS A 20 99.469 -3.376 -20.273 1.00 0.00 N ATOM 320 CA LYS A 20 99.810 -2.276 -19.318 1.00 0.00 C ATOM 321 C LYS A 20 98.828 -2.266 -18.143 1.00 0.00 C ATOM 322 O LYS A 20 97.633 -2.414 -18.318 1.00 0.00 O ATOM 323 CB LYS A 20 99.677 -0.966 -20.119 1.00 0.00 C ATOM 324 CG LYS A 20 100.304 -1.103 -21.516 1.00 0.00 C ATOM 325 CD LYS A 20 100.360 0.270 -22.189 1.00 0.00 C ATOM 326 CE LYS A 20 100.834 0.111 -23.635 1.00 0.00 C ATOM 327 NZ LYS A 20 101.299 1.468 -24.037 1.00 0.00 N ATOM 0 H LYS A 20 98.612 -3.237 -20.808 1.00 0.00 H new ATOM 0 HA LYS A 20 100.812 -2.403 -18.908 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.624 -0.700 -20.214 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.163 -0.154 -19.577 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.307 -1.522 -21.436 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.718 -1.793 -22.123 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.376 0.738 -22.167 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.037 0.927 -21.643 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.639 -0.620 -23.709 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.027 -0.237 -24.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 101.640 1.441 -25.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.510 2.141 -23.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 102.072 1.770 -23.410 1.00 0.00 H new ATOM 341 N ALA A 21 99.334 -2.090 -16.946 1.00 0.00 N ATOM 342 CA ALA A 21 98.442 -1.973 -15.751 1.00 0.00 C ATOM 343 C ALA A 21 99.001 -0.930 -14.779 1.00 0.00 C ATOM 344 O ALA A 21 100.201 -0.752 -14.677 1.00 0.00 O ATOM 345 CB ALA A 21 98.451 -3.362 -15.112 1.00 0.00 C ATOM 0 H ALA A 21 100.332 -2.022 -16.745 1.00 0.00 H new ATOM 0 HA ALA A 21 97.434 -1.654 -16.016 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.817 -3.359 -14.225 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.072 -4.093 -15.826 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.470 -3.625 -14.829 1.00 0.00 H new ATOM 351 N ARG A 22 98.141 -0.242 -14.065 1.00 0.00 N ATOM 352 CA ARG A 22 98.619 0.812 -13.114 1.00 0.00 C ATOM 353 C ARG A 22 97.813 0.772 -11.814 1.00 0.00 C ATOM 354 O ARG A 22 96.655 0.398 -11.806 1.00 0.00 O ATOM 355 CB ARG A 22 98.415 2.150 -13.846 1.00 0.00 C ATOM 356 CG ARG A 22 96.933 2.353 -14.193 1.00 0.00 C ATOM 357 CD ARG A 22 96.786 3.568 -15.112 1.00 0.00 C ATOM 358 NE ARG A 22 95.311 3.760 -15.273 1.00 0.00 N ATOM 359 CZ ARG A 22 94.594 2.984 -16.065 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.138 1.996 -16.738 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.312 3.201 -16.178 1.00 0.00 N ATOM 0 H ARG A 22 97.129 -0.365 -14.100 1.00 0.00 H new ATOM 0 HA ARG A 22 99.662 0.663 -12.836 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.764 2.971 -13.219 1.00 0.00 H new ATOM 0 HB3 ARG A 22 99.014 2.168 -14.757 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.538 1.463 -14.683 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.352 2.500 -13.282 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.253 4.451 -14.676 1.00 0.00 H new ATOM 0 HD3 ARG A 22 97.268 3.395 -16.074 1.00 0.00 H new ATOM 0 HE ARG A 22 94.848 4.509 -14.758 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.138 1.813 -16.656 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.560 1.412 -17.343 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.876 3.962 -15.658 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.746 2.609 -16.786 1.00 0.00 H new ATOM 375 N GLY A 23 98.422 1.155 -10.719 1.00 0.00 N ATOM 376 CA GLY A 23 97.702 1.156 -9.410 1.00 0.00 C ATOM 377 C GLY A 23 98.657 1.618 -8.308 1.00 0.00 C ATOM 378 O GLY A 23 99.772 2.023 -8.579 1.00 0.00 O ATOM 0 H GLY A 23 99.392 1.468 -10.677 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.837 1.817 -9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.327 0.157 -9.187 1.00 0.00 H new ATOM 382 N VAL A 24 98.231 1.556 -7.070 1.00 0.00 N ATOM 383 CA VAL A 24 99.099 2.035 -5.946 1.00 0.00 C ATOM 384 C VAL A 24 99.949 0.873 -5.418 1.00 0.00 C ATOM 385 O VAL A 24 99.482 -0.243 -5.305 1.00 0.00 O ATOM 386 CB VAL A 24 98.131 2.542 -4.863 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.926 3.107 -3.681 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.242 3.651 -5.438 1.00 0.00 C ATOM 0 H VAL A 24 97.320 1.195 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 24 99.786 2.821 -6.259 1.00 0.00 H new ATOM 0 HB VAL A 24 97.511 1.710 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.236 3.465 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.559 2.325 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.549 3.933 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.559 4.006 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.866 4.477 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.669 3.259 -6.278 1.00 0.00 H new ATOM 398 N ILE A 25 101.190 1.133 -5.099 1.00 0.00 N ATOM 399 CA ILE A 25 102.090 0.042 -4.598 1.00 0.00 C ATOM 400 C ILE A 25 101.823 -0.215 -3.109 1.00 0.00 C ATOM 401 O ILE A 25 101.625 0.708 -2.340 1.00 0.00 O ATOM 402 CB ILE A 25 103.521 0.568 -4.827 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.769 0.718 -6.333 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.557 -0.399 -4.231 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.015 1.576 -6.565 1.00 0.00 C ATOM 0 H ILE A 25 101.623 2.054 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 25 101.928 -0.906 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 25 103.624 1.534 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.900 -0.263 -6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.904 1.178 -6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.560 -0.009 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.386 -0.500 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.460 -1.375 -4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.190 1.682 -7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.866 2.561 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.878 1.097 -6.102 1.00 0.00 H new ATOM 417 N THR A 26 101.816 -1.465 -2.703 1.00 0.00 N ATOM 418 CA THR A 26 101.546 -1.791 -1.269 1.00 0.00 C ATOM 419 C THR A 26 102.669 -2.645 -0.665 1.00 0.00 C ATOM 420 O THR A 26 103.008 -2.484 0.494 1.00 0.00 O ATOM 421 CB THR A 26 100.230 -2.571 -1.276 1.00 0.00 C ATOM 422 OG1 THR A 26 100.324 -3.650 -2.195 1.00 0.00 O ATOM 423 CG2 THR A 26 99.084 -1.644 -1.687 1.00 0.00 C ATOM 0 H THR A 26 101.986 -2.271 -3.305 1.00 0.00 H new ATOM 0 HA THR A 26 101.491 -0.887 -0.662 1.00 0.00 H new ATOM 0 HB THR A 26 100.035 -2.961 -0.277 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.436 -3.298 -3.103 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.148 -2.202 -1.691 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.011 -0.819 -0.978 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.275 -1.249 -2.685 1.00 0.00 H new ATOM 431 N ASN A 27 103.254 -3.548 -1.426 1.00 0.00 N ATOM 432 CA ASN A 27 104.242 -4.496 -0.821 1.00 0.00 C ATOM 433 C ASN A 27 105.450 -4.695 -1.741 1.00 0.00 C ATOM 434 O ASN A 27 105.338 -4.628 -2.950 1.00 0.00 O ATOM 435 CB ASN A 27 103.476 -5.810 -0.657 1.00 0.00 C ATOM 436 CG ASN A 27 104.296 -6.777 0.201 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.875 -7.715 -0.308 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.368 -6.585 1.489 1.00 0.00 N ATOM 0 H ASN A 27 103.090 -3.666 -2.426 1.00 0.00 H new ATOM 0 HA ASN A 27 104.634 -4.121 0.125 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.509 -5.623 -0.190 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.278 -6.252 -1.634 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.911 -7.223 2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.881 -5.797 1.915 1.00 0.00 H new ATOM 445 N PHE A 28 106.601 -4.935 -1.163 1.00 0.00 N ATOM 446 CA PHE A 28 107.807 -5.291 -1.971 1.00 0.00 C ATOM 447 C PHE A 28 108.715 -6.218 -1.158 1.00 0.00 C ATOM 448 O PHE A 28 109.027 -5.943 -0.014 1.00 0.00 O ATOM 449 CB PHE A 28 108.505 -3.963 -2.257 1.00 0.00 C ATOM 450 CG PHE A 28 109.629 -4.080 -3.261 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.336 -4.342 -4.621 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.972 -3.927 -2.842 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.387 -4.452 -5.563 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.024 -4.037 -3.784 1.00 0.00 C ATOM 455 CZ PHE A 28 111.732 -4.299 -5.145 1.00 0.00 C ATOM 0 H PHE A 28 106.757 -4.899 -0.156 1.00 0.00 H new ATOM 0 HA PHE A 28 107.554 -5.815 -2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.771 -3.247 -2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.901 -3.561 -1.324 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.311 -4.458 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.195 -3.726 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.163 -4.653 -6.600 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.049 -3.921 -3.464 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.534 -4.382 -5.864 1.00 0.00 H new ATOM 465 N ASP A 29 109.138 -7.311 -1.742 1.00 0.00 N ATOM 466 CA ASP A 29 109.966 -8.302 -0.992 1.00 0.00 C ATOM 467 C ASP A 29 111.305 -8.510 -1.702 1.00 0.00 C ATOM 468 O ASP A 29 111.346 -8.886 -2.857 1.00 0.00 O ATOM 469 CB ASP A 29 109.146 -9.593 -1.004 1.00 0.00 C ATOM 470 CG ASP A 29 109.790 -10.622 -0.070 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.179 -10.241 1.022 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.885 -11.772 -0.465 1.00 0.00 O ATOM 0 H ASP A 29 108.944 -7.560 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 29 110.190 -7.972 0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.124 -9.389 -0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.091 -9.991 -2.017 1.00 0.00 H new ATOM 477 N SER A 30 112.395 -8.267 -1.016 1.00 0.00 N ATOM 478 CA SER A 30 113.743 -8.428 -1.650 1.00 0.00 C ATOM 479 C SER A 30 114.068 -9.911 -1.875 1.00 0.00 C ATOM 480 O SER A 30 114.833 -10.254 -2.758 1.00 0.00 O ATOM 481 CB SER A 30 114.734 -7.811 -0.661 1.00 0.00 C ATOM 482 OG SER A 30 114.782 -8.609 0.515 1.00 0.00 O ATOM 0 H SER A 30 112.410 -7.963 -0.042 1.00 0.00 H new ATOM 0 HA SER A 30 113.786 -7.946 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.724 -7.748 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.432 -6.794 -0.412 1.00 0.00 H new ATOM 0 HG SER A 30 115.417 -8.218 1.150 1.00 0.00 H new ATOM 488 N SER A 31 113.493 -10.791 -1.086 1.00 0.00 N ATOM 489 CA SER A 31 113.822 -12.253 -1.207 1.00 0.00 C ATOM 490 C SER A 31 113.440 -12.783 -2.594 1.00 0.00 C ATOM 491 O SER A 31 114.225 -13.447 -3.248 1.00 0.00 O ATOM 492 CB SER A 31 112.993 -12.947 -0.126 1.00 0.00 C ATOM 493 OG SER A 31 113.267 -12.348 1.134 1.00 0.00 O ATOM 0 H SER A 31 112.810 -10.562 -0.364 1.00 0.00 H new ATOM 0 HA SER A 31 114.889 -12.436 -1.083 1.00 0.00 H new ATOM 0 HB2 SER A 31 111.931 -12.865 -0.357 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.231 -14.010 -0.096 1.00 0.00 H new ATOM 0 HG SER A 31 112.736 -12.790 1.829 1.00 0.00 H new ATOM 499 N ASN A 32 112.243 -12.496 -3.045 1.00 0.00 N ATOM 500 CA ASN A 32 111.803 -12.975 -4.395 1.00 0.00 C ATOM 501 C ASN A 32 111.350 -11.803 -5.282 1.00 0.00 C ATOM 502 O ASN A 32 110.800 -12.011 -6.348 1.00 0.00 O ATOM 503 CB ASN A 32 110.628 -13.914 -4.116 1.00 0.00 C ATOM 504 CG ASN A 32 111.131 -15.164 -3.391 1.00 0.00 C ATOM 505 OD1 ASN A 32 110.623 -15.521 -2.347 1.00 0.00 O ATOM 506 ND2 ASN A 32 112.114 -15.850 -3.906 1.00 0.00 N ATOM 0 H ASN A 32 111.549 -11.949 -2.535 1.00 0.00 H new ATOM 0 HA ASN A 32 112.615 -13.469 -4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.879 -13.405 -3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.143 -14.194 -5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 32 112.456 -16.686 -3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 32 112.541 -15.550 -4.783 1.00 0.00 H new ATOM 513 N SER A 33 111.578 -10.572 -4.858 1.00 0.00 N ATOM 514 CA SER A 33 111.140 -9.375 -5.659 1.00 0.00 C ATOM 515 C SER A 33 109.655 -9.485 -6.048 1.00 0.00 C ATOM 516 O SER A 33 109.312 -9.625 -7.209 1.00 0.00 O ATOM 517 CB SER A 33 112.035 -9.366 -6.904 1.00 0.00 C ATOM 518 OG SER A 33 113.386 -9.582 -6.513 1.00 0.00 O ATOM 0 H SER A 33 112.053 -10.347 -3.984 1.00 0.00 H new ATOM 0 HA SER A 33 111.237 -8.452 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.717 -10.142 -7.600 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.943 -8.413 -7.425 1.00 0.00 H new ATOM 0 HG SER A 33 113.961 -9.579 -7.307 1.00 0.00 H new ATOM 524 N ILE A 34 108.775 -9.421 -5.076 1.00 0.00 N ATOM 525 CA ILE A 34 107.311 -9.534 -5.370 1.00 0.00 C ATOM 526 C ILE A 34 106.612 -8.214 -5.022 1.00 0.00 C ATOM 527 O ILE A 34 106.824 -7.653 -3.963 1.00 0.00 O ATOM 528 CB ILE A 34 106.793 -10.679 -4.479 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.606 -11.971 -4.725 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.311 -10.940 -4.777 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.484 -12.442 -6.186 1.00 0.00 C ATOM 0 H ILE A 34 109.008 -9.295 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 34 107.116 -9.737 -6.423 1.00 0.00 H new ATOM 0 HB ILE A 34 106.909 -10.385 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.654 -11.794 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.254 -12.757 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.950 -11.751 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.735 -10.037 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.194 -11.218 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.067 -13.352 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.438 -12.643 -6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.860 -11.665 -6.851 1.00 0.00 H new ATOM 543 N LEU A 35 105.782 -7.722 -5.908 1.00 0.00 N ATOM 544 CA LEU A 35 105.158 -6.377 -5.706 1.00 0.00 C ATOM 545 C LEU A 35 103.633 -6.486 -5.766 1.00 0.00 C ATOM 546 O LEU A 35 103.076 -6.947 -6.744 1.00 0.00 O ATOM 547 CB LEU A 35 105.685 -5.535 -6.871 1.00 0.00 C ATOM 548 CG LEU A 35 105.221 -4.082 -6.722 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.204 -3.314 -5.837 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.161 -3.427 -8.105 1.00 0.00 C ATOM 0 H LEU A 35 105.508 -8.197 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 35 105.402 -5.942 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.774 -5.576 -6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.328 -5.944 -7.816 1.00 0.00 H new ATOM 0 HG LEU A 35 104.233 -4.062 -6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.870 -2.281 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.249 -3.781 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.194 -3.332 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.831 -2.393 -8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.151 -3.449 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.458 -3.972 -8.735 1.00 0.00 H new ATOM 562 N GLN A 36 102.963 -6.063 -4.725 1.00 0.00 N ATOM 563 CA GLN A 36 101.471 -6.025 -4.753 1.00 0.00 C ATOM 564 C GLN A 36 100.996 -4.611 -5.091 1.00 0.00 C ATOM 565 O GLN A 36 101.418 -3.645 -4.479 1.00 0.00 O ATOM 566 CB GLN A 36 101.032 -6.418 -3.342 1.00 0.00 C ATOM 567 CG GLN A 36 101.327 -7.900 -3.112 1.00 0.00 C ATOM 568 CD GLN A 36 100.881 -8.298 -1.702 1.00 0.00 C ATOM 569 OE1 GLN A 36 99.870 -7.831 -1.217 1.00 0.00 O ATOM 570 NE2 GLN A 36 101.599 -9.149 -1.021 1.00 0.00 N ATOM 0 H GLN A 36 103.387 -5.742 -3.855 1.00 0.00 H new ATOM 0 HA GLN A 36 101.052 -6.694 -5.504 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.558 -5.813 -2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.967 -6.224 -3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.805 -8.505 -3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.393 -8.093 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 36 102.448 -9.541 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 36 101.311 -9.422 -0.081 1.00 0.00 H new ATOM 579 N LEU A 37 100.123 -4.489 -6.062 1.00 0.00 N ATOM 580 CA LEU A 37 99.569 -3.149 -6.417 1.00 0.00 C ATOM 581 C LEU A 37 98.089 -3.080 -6.033 1.00 0.00 C ATOM 582 O LEU A 37 97.280 -3.851 -6.515 1.00 0.00 O ATOM 583 CB LEU A 37 99.729 -3.033 -7.935 1.00 0.00 C ATOM 584 CG LEU A 37 101.214 -2.961 -8.297 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.387 -3.241 -9.791 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.752 -1.563 -7.979 1.00 0.00 C ATOM 0 H LEU A 37 99.771 -5.264 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 37 100.080 -2.341 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.267 -3.890 -8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.214 -2.143 -8.297 1.00 0.00 H new ATOM 0 HG LEU A 37 101.764 -3.703 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.444 -3.190 -10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.004 -4.235 -10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.836 -2.497 -10.367 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.810 -1.513 -8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.202 -0.821 -8.558 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.628 -1.359 -6.916 1.00 0.00 H new ATOM 598 N ARG A 38 97.737 -2.161 -5.171 1.00 0.00 N ATOM 599 CA ARG A 38 96.300 -1.984 -4.801 1.00 0.00 C ATOM 600 C ARG A 38 95.687 -0.855 -5.635 1.00 0.00 C ATOM 601 O ARG A 38 96.189 0.253 -5.655 1.00 0.00 O ATOM 602 CB ARG A 38 96.311 -1.616 -3.315 1.00 0.00 C ATOM 603 CG ARG A 38 94.877 -1.583 -2.782 1.00 0.00 C ATOM 604 CD ARG A 38 94.883 -1.115 -1.324 1.00 0.00 C ATOM 605 NE ARG A 38 93.457 -1.201 -0.871 1.00 0.00 N ATOM 606 CZ ARG A 38 93.038 -0.570 0.208 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.852 0.155 0.944 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.785 -0.671 0.559 1.00 0.00 N ATOM 0 H ARG A 38 98.384 -1.524 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 38 95.707 -2.880 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.901 -2.342 -2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.784 -0.644 -3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.268 -0.912 -3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.428 -2.574 -2.855 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.528 -1.745 -0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.261 -0.096 -1.240 1.00 0.00 H new ATOM 0 HE ARG A 38 92.796 -1.760 -1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.835 0.240 0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.500 0.632 1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.143 -1.233 0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.448 -0.188 1.392 1.00 0.00 H new ATOM 622 N LEU A 39 94.607 -1.133 -6.322 1.00 0.00 N ATOM 623 CA LEU A 39 94.025 -0.125 -7.259 1.00 0.00 C ATOM 624 C LEU A 39 92.804 0.560 -6.634 1.00 0.00 C ATOM 625 O LEU A 39 92.112 -0.012 -5.808 1.00 0.00 O ATOM 626 CB LEU A 39 93.633 -0.931 -8.502 1.00 0.00 C ATOM 627 CG LEU A 39 93.275 0.008 -9.665 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.470 0.898 -10.018 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.917 -0.835 -10.886 1.00 0.00 C ATOM 0 H LEU A 39 94.102 -2.018 -6.274 1.00 0.00 H new ATOM 0 HA LEU A 39 94.727 0.674 -7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.456 -1.583 -8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.784 -1.574 -8.272 1.00 0.00 H new ATOM 0 HG LEU A 39 92.435 0.636 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.201 1.557 -10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.747 1.497 -9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.314 0.274 -10.312 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.661 -0.179 -11.718 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.769 -1.456 -11.162 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.065 -1.473 -10.651 1.00 0.00 H new ATOM 641 N ALA A 40 92.540 1.783 -7.037 1.00 0.00 N ATOM 642 CA ALA A 40 91.460 2.598 -6.381 1.00 0.00 C ATOM 643 C ALA A 40 90.070 1.965 -6.569 1.00 0.00 C ATOM 644 O ALA A 40 89.109 2.400 -5.962 1.00 0.00 O ATOM 645 CB ALA A 40 91.514 3.964 -7.070 1.00 0.00 C ATOM 0 H ALA A 40 93.029 2.256 -7.797 1.00 0.00 H new ATOM 0 HA ALA A 40 91.620 2.663 -5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.752 4.617 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.498 4.408 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.330 3.841 -8.137 1.00 0.00 H new ATOM 651 N ASN A 41 89.948 0.951 -7.397 1.00 0.00 N ATOM 652 CA ASN A 41 88.636 0.239 -7.537 1.00 0.00 C ATOM 653 C ASN A 41 88.478 -0.850 -6.457 1.00 0.00 C ATOM 654 O ASN A 41 87.842 -1.861 -6.691 1.00 0.00 O ATOM 655 CB ASN A 41 88.680 -0.399 -8.929 1.00 0.00 C ATOM 656 CG ASN A 41 87.264 -0.784 -9.360 1.00 0.00 C ATOM 657 OD1 ASN A 41 86.320 -0.066 -9.099 1.00 0.00 O ATOM 658 ND2 ASN A 41 87.074 -1.896 -10.016 1.00 0.00 N ATOM 0 H ASN A 41 90.701 0.587 -7.981 1.00 0.00 H new ATOM 0 HA ASN A 41 87.794 0.920 -7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.113 0.298 -9.646 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.320 -1.281 -8.916 1.00 0.00 H new ATOM 0 HD21 ASN A 41 86.134 -2.161 -10.309 1.00 0.00 H new ATOM 0 HD22 ASN A 41 87.866 -2.500 -10.236 1.00 0.00 H new ATOM 665 N ASP A 42 89.054 -0.662 -5.276 1.00 0.00 N ATOM 666 CA ASP A 42 88.885 -1.653 -4.156 1.00 0.00 C ATOM 667 C ASP A 42 89.368 -3.042 -4.592 1.00 0.00 C ATOM 668 O ASP A 42 88.878 -4.050 -4.115 1.00 0.00 O ATOM 669 CB ASP A 42 87.382 -1.681 -3.829 1.00 0.00 C ATOM 670 CG ASP A 42 86.936 -0.303 -3.330 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.669 0.295 -2.560 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.865 0.129 -3.726 1.00 0.00 O ATOM 0 H ASP A 42 89.636 0.143 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 42 89.473 -1.369 -3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.812 -1.959 -4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.179 -2.436 -3.070 1.00 0.00 H new ATOM 677 N SER A 43 90.324 -3.103 -5.496 1.00 0.00 N ATOM 678 CA SER A 43 90.867 -4.427 -5.929 1.00 0.00 C ATOM 679 C SER A 43 92.380 -4.476 -5.697 1.00 0.00 C ATOM 680 O SER A 43 93.083 -3.514 -5.941 1.00 0.00 O ATOM 681 CB SER A 43 90.548 -4.519 -7.420 1.00 0.00 C ATOM 682 OG SER A 43 89.138 -4.483 -7.602 1.00 0.00 O ATOM 0 H SER A 43 90.747 -2.293 -5.949 1.00 0.00 H new ATOM 0 HA SER A 43 90.432 -5.256 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.017 -3.693 -7.955 1.00 0.00 H new ATOM 0 HB3 SER A 43 90.956 -5.441 -7.835 1.00 0.00 H new ATOM 0 HG SER A 43 88.806 -3.581 -7.411 1.00 0.00 H new ATOM 688 N THR A 44 92.881 -5.593 -5.228 1.00 0.00 N ATOM 689 CA THR A 44 94.351 -5.723 -4.982 1.00 0.00 C ATOM 690 C THR A 44 94.883 -7.010 -5.624 1.00 0.00 C ATOM 691 O THR A 44 94.229 -8.038 -5.602 1.00 0.00 O ATOM 692 CB THR A 44 94.507 -5.758 -3.452 1.00 0.00 C ATOM 693 OG1 THR A 44 95.885 -5.867 -3.122 1.00 0.00 O ATOM 694 CG2 THR A 44 93.742 -6.950 -2.858 1.00 0.00 C ATOM 0 H THR A 44 92.333 -6.423 -5.004 1.00 0.00 H new ATOM 0 HA THR A 44 94.918 -4.901 -5.419 1.00 0.00 H new ATOM 0 HB THR A 44 94.097 -4.838 -3.036 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.987 -5.888 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.864 -6.958 -1.775 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.684 -6.862 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.134 -7.878 -3.274 1.00 0.00 H new ATOM 702 N LYS A 45 96.062 -6.957 -6.192 1.00 0.00 N ATOM 703 CA LYS A 45 96.631 -8.164 -6.867 1.00 0.00 C ATOM 704 C LYS A 45 98.146 -8.225 -6.659 1.00 0.00 C ATOM 705 O LYS A 45 98.822 -7.212 -6.672 1.00 0.00 O ATOM 706 CB LYS A 45 96.297 -7.981 -8.348 1.00 0.00 C ATOM 707 CG LYS A 45 96.541 -9.297 -9.092 1.00 0.00 C ATOM 708 CD LYS A 45 96.017 -9.179 -10.524 1.00 0.00 C ATOM 709 CE LYS A 45 96.965 -8.303 -11.348 1.00 0.00 C ATOM 710 NZ LYS A 45 98.015 -9.234 -11.844 1.00 0.00 N ATOM 0 H LYS A 45 96.656 -6.128 -6.217 1.00 0.00 H new ATOM 0 HA LYS A 45 96.222 -9.092 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.258 -7.673 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 45 96.912 -7.189 -8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 45 97.606 -9.530 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.040 -10.117 -8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.936 -10.168 -10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.016 -8.747 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 45 96.441 -7.823 -12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 45 97.397 -7.508 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 98.731 -8.699 -12.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 98.467 -9.709 -11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 97.582 -9.946 -12.467 1.00 0.00 H new ATOM 724 N SER A 46 98.680 -9.407 -6.467 1.00 0.00 N ATOM 725 CA SER A 46 100.153 -9.548 -6.260 1.00 0.00 C ATOM 726 C SER A 46 100.838 -9.931 -7.574 1.00 0.00 C ATOM 727 O SER A 46 100.465 -10.894 -8.218 1.00 0.00 O ATOM 728 CB SER A 46 100.303 -10.668 -5.231 1.00 0.00 C ATOM 729 OG SER A 46 99.883 -11.897 -5.809 1.00 0.00 O ATOM 0 H SER A 46 98.156 -10.282 -6.445 1.00 0.00 H new ATOM 0 HA SER A 46 100.613 -8.619 -5.922 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.341 -10.742 -4.906 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.706 -10.447 -4.346 1.00 0.00 H new ATOM 0 HG SER A 46 99.704 -11.765 -6.764 1.00 0.00 H new ATOM 735 N ILE A 47 101.837 -9.180 -7.974 1.00 0.00 N ATOM 736 CA ILE A 47 102.571 -9.500 -9.238 1.00 0.00 C ATOM 737 C ILE A 47 104.077 -9.535 -8.957 1.00 0.00 C ATOM 738 O ILE A 47 104.614 -8.649 -8.319 1.00 0.00 O ATOM 739 CB ILE A 47 102.222 -8.363 -10.214 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.705 -8.322 -10.446 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.924 -8.598 -11.557 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.331 -7.025 -11.167 1.00 0.00 C ATOM 0 H ILE A 47 102.176 -8.356 -7.477 1.00 0.00 H new ATOM 0 HA ILE A 47 102.294 -10.471 -9.649 1.00 0.00 H new ATOM 0 HB ILE A 47 102.554 -7.417 -9.785 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.394 -9.182 -11.039 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.179 -8.385 -9.493 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.674 -7.790 -12.245 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.003 -8.623 -11.404 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.595 -9.548 -11.978 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.254 -6.997 -11.331 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.627 -6.171 -10.557 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.845 -6.981 -12.127 1.00 0.00 H new ATOM 754 N VAL A 48 104.756 -10.551 -9.428 1.00 0.00 N ATOM 755 CA VAL A 48 106.235 -10.630 -9.213 1.00 0.00 C ATOM 756 C VAL A 48 106.939 -9.675 -10.184 1.00 0.00 C ATOM 757 O VAL A 48 106.593 -9.597 -11.346 1.00 0.00 O ATOM 758 CB VAL A 48 106.634 -12.090 -9.492 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.123 -12.289 -9.173 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.785 -13.048 -8.633 1.00 0.00 C ATOM 0 H VAL A 48 104.352 -11.328 -9.951 1.00 0.00 H new ATOM 0 HA VAL A 48 106.520 -10.342 -8.201 1.00 0.00 H new ATOM 0 HB VAL A 48 106.456 -12.310 -10.545 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.403 -13.324 -9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.721 -11.625 -9.798 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.304 -12.059 -8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.077 -14.078 -8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.947 -12.830 -7.577 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.730 -12.915 -8.874 1.00 0.00 H new ATOM 770 N THR A 49 107.921 -8.952 -9.711 1.00 0.00 N ATOM 771 CA THR A 49 108.550 -7.877 -10.548 1.00 0.00 C ATOM 772 C THR A 49 109.248 -8.465 -11.780 1.00 0.00 C ATOM 773 O THR A 49 109.423 -7.787 -12.776 1.00 0.00 O ATOM 774 CB THR A 49 109.566 -7.179 -9.637 1.00 0.00 C ATOM 775 OG1 THR A 49 110.500 -8.134 -9.155 1.00 0.00 O ATOM 776 CG2 THR A 49 108.843 -6.526 -8.457 1.00 0.00 C ATOM 0 H THR A 49 108.319 -9.058 -8.778 1.00 0.00 H new ATOM 0 HA THR A 49 107.798 -7.183 -10.923 1.00 0.00 H new ATOM 0 HB THR A 49 110.090 -6.409 -10.204 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.122 -8.599 -8.380 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.570 -6.032 -7.813 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.129 -5.791 -8.829 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.314 -7.290 -7.887 1.00 0.00 H new ATOM 784 N LYS A 50 109.651 -9.712 -11.726 1.00 0.00 N ATOM 785 CA LYS A 50 110.434 -10.305 -12.864 1.00 0.00 C ATOM 786 C LYS A 50 109.640 -10.226 -14.174 1.00 0.00 C ATOM 787 O LYS A 50 110.212 -10.215 -15.248 1.00 0.00 O ATOM 788 CB LYS A 50 110.686 -11.773 -12.482 1.00 0.00 C ATOM 789 CG LYS A 50 111.555 -11.859 -11.218 1.00 0.00 C ATOM 790 CD LYS A 50 111.656 -13.318 -10.769 1.00 0.00 C ATOM 791 CE LYS A 50 112.401 -13.393 -9.435 1.00 0.00 C ATOM 792 NZ LYS A 50 113.844 -13.325 -9.797 1.00 0.00 N ATOM 0 H LYS A 50 109.474 -10.346 -10.947 1.00 0.00 H new ATOM 0 HA LYS A 50 111.366 -9.763 -13.025 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.736 -12.279 -12.312 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.179 -12.290 -13.305 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.549 -11.459 -11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.122 -11.252 -10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 50 110.659 -13.747 -10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 50 112.179 -13.906 -11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.119 -12.570 -8.778 1.00 0.00 H new ATOM 0 HE3 LYS A 50 112.170 -14.317 -8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 114.293 -14.244 -9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.938 -13.095 -10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 114.310 -12.588 -9.230 1.00 0.00 H new ATOM 806 N ASP A 51 108.331 -10.170 -14.094 1.00 0.00 N ATOM 807 CA ASP A 51 107.514 -10.001 -15.339 1.00 0.00 C ATOM 808 C ASP A 51 107.334 -8.511 -15.693 1.00 0.00 C ATOM 809 O ASP A 51 106.564 -8.177 -16.575 1.00 0.00 O ATOM 810 CB ASP A 51 106.158 -10.673 -15.055 1.00 0.00 C ATOM 811 CG ASP A 51 105.460 -10.031 -13.847 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.354 -8.817 -13.817 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.038 -10.772 -12.974 1.00 0.00 O ATOM 0 H ASP A 51 107.796 -10.233 -13.228 1.00 0.00 H new ATOM 0 HA ASP A 51 108.008 -10.457 -16.197 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.518 -10.591 -15.933 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.309 -11.736 -14.868 1.00 0.00 H new ATOM 818 N ILE A 52 108.033 -7.617 -15.021 1.00 0.00 N ATOM 819 CA ILE A 52 107.979 -6.170 -15.418 1.00 0.00 C ATOM 820 C ILE A 52 108.849 -5.939 -16.658 1.00 0.00 C ATOM 821 O ILE A 52 110.059 -6.058 -16.606 1.00 0.00 O ATOM 822 CB ILE A 52 108.533 -5.385 -14.212 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.601 -5.575 -13.004 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.639 -3.885 -14.559 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.205 -4.898 -11.767 1.00 0.00 C ATOM 0 H ILE A 52 108.632 -7.826 -14.223 1.00 0.00 H new ATOM 0 HA ILE A 52 106.967 -5.851 -15.667 1.00 0.00 H new ATOM 0 HB ILE A 52 109.526 -5.761 -13.967 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.621 -5.150 -13.220 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.453 -6.638 -12.812 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.031 -3.340 -13.701 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.309 -3.755 -15.409 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.652 -3.500 -14.813 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.539 -5.037 -10.915 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.175 -5.343 -11.546 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.330 -3.833 -11.960 1.00 0.00 H new ATOM 837 N LYS A 53 108.235 -5.612 -17.768 1.00 0.00 N ATOM 838 CA LYS A 53 109.027 -5.187 -18.966 1.00 0.00 C ATOM 839 C LYS A 53 109.413 -3.711 -18.845 1.00 0.00 C ATOM 840 O LYS A 53 110.514 -3.322 -19.192 1.00 0.00 O ATOM 841 CB LYS A 53 108.106 -5.399 -20.168 1.00 0.00 C ATOM 842 CG LYS A 53 108.888 -5.172 -21.464 1.00 0.00 C ATOM 843 CD LYS A 53 107.950 -5.332 -22.662 1.00 0.00 C ATOM 844 CE LYS A 53 108.759 -5.245 -23.958 1.00 0.00 C ATOM 845 NZ LYS A 53 107.952 -5.988 -24.966 1.00 0.00 N ATOM 0 H LYS A 53 107.223 -5.620 -17.897 1.00 0.00 H new ATOM 0 HA LYS A 53 109.951 -5.757 -19.064 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.697 -6.409 -20.151 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.261 -4.712 -20.117 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.329 -4.175 -21.465 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.710 -5.884 -21.535 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.433 -6.290 -22.607 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.185 -4.555 -22.645 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.911 -4.209 -24.260 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.747 -5.690 -23.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.218 -5.676 -25.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 108.133 -7.008 -24.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.941 -5.799 -24.809 1.00 0.00 H new ATOM 859 N ASP A 54 108.515 -2.890 -18.354 1.00 0.00 N ATOM 860 CA ASP A 54 108.779 -1.410 -18.337 1.00 0.00 C ATOM 861 C ASP A 54 108.018 -0.734 -17.193 1.00 0.00 C ATOM 862 O ASP A 54 106.923 -1.132 -16.849 1.00 0.00 O ATOM 863 CB ASP A 54 108.274 -0.894 -19.685 1.00 0.00 C ATOM 864 CG ASP A 54 109.200 -1.376 -20.804 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.402 -1.237 -20.652 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.690 -1.876 -21.793 1.00 0.00 O ATOM 0 H ASP A 54 107.616 -3.175 -17.966 1.00 0.00 H new ATOM 0 HA ASP A 54 109.836 -1.193 -18.183 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.259 -1.248 -19.863 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.235 0.195 -19.676 1.00 0.00 H new ATOM 871 N LEU A 55 108.596 0.291 -16.610 1.00 0.00 N ATOM 872 CA LEU A 55 107.953 0.959 -15.435 1.00 0.00 C ATOM 873 C LEU A 55 107.822 2.470 -15.668 1.00 0.00 C ATOM 874 O LEU A 55 108.677 3.088 -16.274 1.00 0.00 O ATOM 875 CB LEU A 55 108.899 0.699 -14.261 1.00 0.00 C ATOM 876 CG LEU A 55 108.756 -0.748 -13.790 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.048 -1.193 -13.102 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.593 -0.848 -12.797 1.00 0.00 C ATOM 0 H LEU A 55 109.487 0.694 -16.899 1.00 0.00 H new ATOM 0 HA LEU A 55 106.949 0.574 -15.258 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.929 0.893 -14.562 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.673 1.382 -13.442 1.00 0.00 H new ATOM 0 HG LEU A 55 108.561 -1.390 -14.649 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.945 -2.225 -12.767 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.878 -1.121 -13.805 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.243 -0.550 -12.244 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.490 -1.880 -12.460 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.790 -0.204 -11.940 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.671 -0.531 -13.284 1.00 0.00 H new ATOM 890 N ARG A 56 106.752 3.060 -15.190 1.00 0.00 N ATOM 891 CA ARG A 56 106.630 4.550 -15.212 1.00 0.00 C ATOM 892 C ARG A 56 105.814 5.024 -13.999 1.00 0.00 C ATOM 893 O ARG A 56 105.067 4.262 -13.414 1.00 0.00 O ATOM 894 CB ARG A 56 105.915 4.879 -16.535 1.00 0.00 C ATOM 895 CG ARG A 56 104.449 4.408 -16.494 1.00 0.00 C ATOM 896 CD ARG A 56 103.995 3.953 -17.885 1.00 0.00 C ATOM 897 NE ARG A 56 104.102 5.169 -18.756 1.00 0.00 N ATOM 898 CZ ARG A 56 105.105 5.346 -19.600 1.00 0.00 C ATOM 899 NH1 ARG A 56 106.076 4.469 -19.728 1.00 0.00 N ATOM 900 NH2 ARG A 56 105.131 6.427 -20.329 1.00 0.00 N ATOM 0 H ARG A 56 105.955 2.570 -14.784 1.00 0.00 H new ATOM 0 HA ARG A 56 107.596 5.052 -15.153 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.952 5.953 -16.717 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.434 4.397 -17.364 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.344 3.588 -15.784 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.810 5.218 -16.143 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.624 3.145 -18.259 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.973 3.576 -17.861 1.00 0.00 H new ATOM 0 HE ARG A 56 103.377 5.884 -18.696 1.00 0.00 H new ATOM 0 HH11 ARG A 56 106.072 3.618 -19.166 1.00 0.00 H new ATOM 0 HH12 ARG A 56 106.833 4.640 -20.390 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.386 7.118 -20.243 1.00 0.00 H new ATOM 0 HH22 ARG A 56 105.896 6.581 -20.985 1.00 0.00 H new ATOM 914 N ILE A 57 105.954 6.271 -13.623 1.00 0.00 N ATOM 915 CA ILE A 57 105.140 6.815 -12.490 1.00 0.00 C ATOM 916 C ILE A 57 104.168 7.875 -13.021 1.00 0.00 C ATOM 917 O ILE A 57 104.558 8.780 -13.736 1.00 0.00 O ATOM 918 CB ILE A 57 106.154 7.434 -11.511 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.137 6.355 -11.029 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.411 8.010 -10.298 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.336 7.014 -10.337 1.00 0.00 C ATOM 0 H ILE A 57 106.597 6.937 -14.051 1.00 0.00 H new ATOM 0 HA ILE A 57 104.542 6.047 -11.999 1.00 0.00 H new ATOM 0 HB ILE A 57 106.702 8.227 -12.020 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.636 5.676 -10.339 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.477 5.757 -11.874 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.130 8.448 -9.605 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.713 8.778 -10.630 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.862 7.213 -9.796 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.029 6.244 -9.998 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.844 7.675 -11.040 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.989 7.593 -9.481 1.00 0.00 H new ATOM 933 N LEU A 58 102.907 7.766 -12.675 1.00 0.00 N ATOM 934 CA LEU A 58 101.887 8.714 -13.226 1.00 0.00 C ATOM 935 C LEU A 58 101.860 10.003 -12.388 1.00 0.00 C ATOM 936 O LEU A 58 102.240 9.986 -11.232 1.00 0.00 O ATOM 937 CB LEU A 58 100.541 7.983 -13.126 1.00 0.00 C ATOM 938 CG LEU A 58 100.580 6.689 -13.950 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.394 5.804 -13.563 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.501 7.021 -15.442 1.00 0.00 C ATOM 0 H LEU A 58 102.540 7.062 -12.035 1.00 0.00 H new ATOM 0 HA LEU A 58 102.111 8.999 -14.254 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.320 7.753 -12.084 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.740 8.629 -13.486 1.00 0.00 H new ATOM 0 HG LEU A 58 101.513 6.162 -13.748 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.420 4.884 -14.148 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.452 5.561 -12.502 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.463 6.335 -13.763 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.529 6.099 -16.022 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.571 7.551 -15.648 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.346 7.650 -15.720 1.00 0.00 H new