USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 ASN : amide:sc=-0.000846 X(o=-0.035,f=-0.0063) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.0343 X(o=-0.035,f=0) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.369 K(o=1.5,f=-7!) USER MOD Set 2.2: A 19 SER OG : rot -97:sc= 1.13 USER MOD Single : A 9 SER OG : rot 180:sc= -0.823 USER MOD Single : A 10 ASN : amide:sc= -0.366 K(o=-0.37,f=-3.8!) USER MOD Single : A 16 ASN : amide:sc= -1.25 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 -60:sc=-0.00315 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00738 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0641 X(o=-0.064,f=-0.29) USER MOD Single : A 43 SER OG : rot 68:sc= 0.042 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 18:sc= 0.971! USER MOD Single : A 49 THR OG1 : rot -82:sc= 0.039 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 103.314 2.430 -1.542 1.00 0.34 N ATOM 152 CA GLY A 8 102.060 3.234 -1.405 1.00 0.32 C ATOM 153 C GLY A 8 101.975 4.312 -2.499 1.00 0.26 C ATOM 154 O GLY A 8 101.047 5.101 -2.515 1.00 0.29 O ATOM 0 HA2 GLY A 8 101.193 2.576 -1.469 1.00 0.32 H new ATOM 0 HA3 GLY A 8 102.031 3.705 -0.422 1.00 0.32 H new ATOM 158 N SER A 9 102.925 4.360 -3.410 1.00 0.20 N ATOM 159 CA SER A 9 102.830 5.331 -4.545 1.00 0.16 C ATOM 160 C SER A 9 102.035 4.711 -5.699 1.00 0.15 C ATOM 161 O SER A 9 101.963 3.503 -5.831 1.00 0.15 O ATOM 162 CB SER A 9 104.275 5.602 -4.969 1.00 0.17 C ATOM 163 OG SER A 9 104.806 4.448 -5.608 1.00 1.15 O ATOM 0 H SER A 9 103.757 3.770 -3.413 1.00 0.20 H new ATOM 0 HA SER A 9 102.317 6.250 -4.260 1.00 0.16 H new ATOM 0 HB2 SER A 9 104.313 6.455 -5.646 1.00 0.17 H new ATOM 0 HB3 SER A 9 104.879 5.859 -4.098 1.00 0.17 H new ATOM 0 HG SER A 9 105.731 4.622 -5.881 1.00 1.15 H new ATOM 169 N ASN A 10 101.440 5.530 -6.532 1.00 0.16 N ATOM 170 CA ASN A 10 100.682 4.995 -7.706 1.00 0.16 C ATOM 171 C ASN A 10 101.564 5.015 -8.955 1.00 0.14 C ATOM 172 O ASN A 10 101.953 6.065 -9.438 1.00 0.15 O ATOM 173 CB ASN A 10 99.491 5.940 -7.875 1.00 0.21 C ATOM 174 CG ASN A 10 98.466 5.313 -8.824 1.00 0.97 C ATOM 175 OD1 ASN A 10 98.824 4.617 -9.754 1.00 1.99 O ATOM 176 ND2 ASN A 10 97.195 5.530 -8.626 1.00 1.06 N ATOM 0 H ASN A 10 101.447 6.547 -6.449 1.00 0.16 H new ATOM 0 HA ASN A 10 100.364 3.963 -7.557 1.00 0.16 H new ATOM 0 HB2 ASN A 10 99.031 6.138 -6.907 1.00 0.21 H new ATOM 0 HB3 ASN A 10 99.828 6.898 -8.270 1.00 0.21 H new ATOM 0 HD21 ASN A 10 96.503 5.116 -9.251 1.00 1.06 H new ATOM 0 HD22 ASN A 10 96.893 6.114 -7.846 1.00 1.06 H new ATOM 183 N VAL A 11 101.879 3.857 -9.476 1.00 0.12 N ATOM 184 CA VAL A 11 102.706 3.780 -10.720 1.00 0.12 C ATOM 185 C VAL A 11 102.042 2.829 -11.720 1.00 0.12 C ATOM 186 O VAL A 11 101.196 2.035 -11.352 1.00 0.13 O ATOM 187 CB VAL A 11 104.079 3.240 -10.277 1.00 0.13 C ATOM 188 CG1 VAL A 11 104.739 4.239 -9.325 1.00 0.15 C ATOM 189 CG2 VAL A 11 103.918 1.891 -9.561 1.00 0.14 C ATOM 0 H VAL A 11 101.597 2.955 -9.091 1.00 0.12 H new ATOM 0 HA VAL A 11 102.806 4.748 -11.211 1.00 0.12 H new ATOM 0 HB VAL A 11 104.702 3.102 -11.161 1.00 0.13 H new ATOM 0 HG11 VAL A 11 105.710 3.856 -9.012 1.00 0.15 H new ATOM 0 HG12 VAL A 11 104.872 5.193 -9.834 1.00 0.15 H new ATOM 0 HG13 VAL A 11 104.105 4.380 -8.449 1.00 0.15 H new ATOM 0 HG21 VAL A 11 104.897 1.523 -9.254 1.00 0.14 H new ATOM 0 HG22 VAL A 11 103.287 2.019 -8.682 1.00 0.14 H new ATOM 0 HG23 VAL A 11 103.456 1.173 -10.238 1.00 0.14 H new ATOM 199 N GLU A 12 102.416 2.901 -12.974 1.00 0.12 N ATOM 200 CA GLU A 12 101.906 1.907 -13.964 1.00 0.12 C ATOM 201 C GLU A 12 103.083 1.125 -14.553 1.00 0.11 C ATOM 202 O GLU A 12 104.163 1.651 -14.719 1.00 0.11 O ATOM 203 CB GLU A 12 101.206 2.742 -15.043 1.00 0.15 C ATOM 204 CG GLU A 12 100.588 1.820 -16.100 1.00 0.17 C ATOM 205 CD GLU A 12 99.929 2.664 -17.193 1.00 0.23 C ATOM 206 OE1 GLU A 12 100.608 2.991 -18.152 1.00 0.81 O ATOM 207 OE2 GLU A 12 98.756 2.969 -17.051 1.00 0.94 O ATOM 0 H GLU A 12 103.051 3.604 -13.352 1.00 0.12 H new ATOM 0 HA GLU A 12 101.226 1.179 -13.522 1.00 0.12 H new ATOM 0 HB2 GLU A 12 100.431 3.361 -14.590 1.00 0.15 H new ATOM 0 HB3 GLU A 12 101.921 3.419 -15.512 1.00 0.15 H new ATOM 0 HG2 GLU A 12 101.357 1.180 -16.534 1.00 0.17 H new ATOM 0 HG3 GLU A 12 99.850 1.164 -15.638 1.00 0.17 H new ATOM 214 N VAL A 13 102.878 -0.131 -14.859 1.00 0.11 N ATOM 215 CA VAL A 13 103.985 -0.958 -15.426 1.00 0.11 C ATOM 216 C VAL A 13 103.475 -1.758 -16.628 1.00 0.12 C ATOM 217 O VAL A 13 102.350 -2.224 -16.632 1.00 0.16 O ATOM 218 CB VAL A 13 104.420 -1.892 -14.281 1.00 0.13 C ATOM 219 CG1 VAL A 13 103.292 -2.867 -13.915 1.00 0.15 C ATOM 220 CG2 VAL A 13 105.647 -2.697 -14.715 1.00 0.15 C ATOM 0 H VAL A 13 101.991 -0.620 -14.740 1.00 0.11 H new ATOM 0 HA VAL A 13 104.819 -0.353 -15.782 1.00 0.11 H new ATOM 0 HB VAL A 13 104.658 -1.280 -13.411 1.00 0.13 H new ATOM 0 HG11 VAL A 13 103.622 -3.517 -13.104 1.00 0.15 H new ATOM 0 HG12 VAL A 13 102.415 -2.305 -13.596 1.00 0.15 H new ATOM 0 HG13 VAL A 13 103.038 -3.473 -14.785 1.00 0.15 H new ATOM 0 HG21 VAL A 13 105.954 -3.358 -13.904 1.00 0.15 H new ATOM 0 HG22 VAL A 13 105.399 -3.292 -15.594 1.00 0.15 H new ATOM 0 HG23 VAL A 13 106.463 -2.015 -14.956 1.00 0.15 H new ATOM 230 N LEU A 14 104.288 -1.918 -17.641 1.00 0.11 N ATOM 231 CA LEU A 14 103.933 -2.897 -18.712 1.00 0.11 C ATOM 232 C LEU A 14 104.566 -4.242 -18.397 1.00 0.11 C ATOM 233 O LEU A 14 105.719 -4.316 -18.012 1.00 0.13 O ATOM 234 CB LEU A 14 104.502 -2.368 -20.036 1.00 0.14 C ATOM 235 CG LEU A 14 104.014 -0.943 -20.371 1.00 0.16 C ATOM 236 CD1 LEU A 14 103.963 -0.795 -21.892 1.00 0.21 C ATOM 237 CD2 LEU A 14 102.611 -0.680 -19.813 1.00 0.21 C ATOM 0 H LEU A 14 105.169 -1.421 -17.772 1.00 0.11 H new ATOM 0 HA LEU A 14 102.852 -3.018 -18.777 1.00 0.11 H new ATOM 0 HB2 LEU A 14 105.591 -2.371 -19.985 1.00 0.14 H new ATOM 0 HB3 LEU A 14 104.218 -3.043 -20.843 1.00 0.14 H new ATOM 0 HG LEU A 14 104.703 -0.229 -19.920 1.00 0.16 H new ATOM 0 HD11 LEU A 14 103.620 0.207 -22.149 1.00 0.21 H new ATOM 0 HD12 LEU A 14 104.958 -0.955 -22.307 1.00 0.21 H new ATOM 0 HD13 LEU A 14 103.275 -1.532 -22.306 1.00 0.21 H new ATOM 0 HD21 LEU A 14 102.302 0.333 -20.069 1.00 0.21 H new ATOM 0 HD22 LEU A 14 101.909 -1.394 -20.244 1.00 0.21 H new ATOM 0 HD23 LEU A 14 102.624 -0.793 -18.729 1.00 0.21 H new ATOM 249 N LEU A 15 103.826 -5.302 -18.557 1.00 0.11 N ATOM 250 CA LEU A 15 104.421 -6.655 -18.360 1.00 0.12 C ATOM 251 C LEU A 15 105.078 -7.135 -19.658 1.00 0.14 C ATOM 252 O LEU A 15 104.979 -6.494 -20.689 1.00 0.16 O ATOM 253 CB LEU A 15 103.255 -7.567 -17.969 1.00 0.14 C ATOM 254 CG LEU A 15 102.686 -7.128 -16.617 1.00 0.13 C ATOM 255 CD1 LEU A 15 101.361 -7.849 -16.361 1.00 0.17 C ATOM 256 CD2 LEU A 15 103.679 -7.484 -15.506 1.00 0.12 C ATOM 0 H LEU A 15 102.839 -5.292 -18.815 1.00 0.11 H new ATOM 0 HA LEU A 15 105.196 -6.653 -17.593 1.00 0.12 H new ATOM 0 HB2 LEU A 15 102.478 -7.526 -18.732 1.00 0.14 H new ATOM 0 HB3 LEU A 15 103.593 -8.602 -17.913 1.00 0.14 H new ATOM 0 HG LEU A 15 102.519 -6.051 -16.627 1.00 0.13 H new ATOM 0 HD11 LEU A 15 100.957 -7.536 -15.398 1.00 0.17 H new ATOM 0 HD12 LEU A 15 100.652 -7.599 -17.151 1.00 0.17 H new ATOM 0 HD13 LEU A 15 101.529 -8.926 -16.351 1.00 0.17 H new ATOM 0 HD21 LEU A 15 103.275 -7.172 -14.543 1.00 0.12 H new ATOM 0 HD22 LEU A 15 103.845 -8.561 -15.498 1.00 0.12 H new ATOM 0 HD23 LEU A 15 104.625 -6.973 -15.686 1.00 0.12 H new ATOM 268 N ASN A 16 105.747 -8.262 -19.609 1.00 0.14 N ATOM 269 CA ASN A 16 106.505 -8.771 -20.808 1.00 0.16 C ATOM 270 C ASN A 16 105.590 -8.922 -22.034 1.00 0.19 C ATOM 271 O ASN A 16 106.052 -8.930 -23.160 1.00 0.22 O ATOM 272 CB ASN A 16 107.075 -10.137 -20.386 1.00 0.16 C ATOM 273 CG ASN A 16 105.943 -11.088 -19.976 1.00 0.22 C ATOM 274 OD1 ASN A 16 105.058 -11.373 -20.759 1.00 0.66 O ATOM 275 ND2 ASN A 16 105.936 -11.592 -18.772 1.00 0.36 N ATOM 0 H ASN A 16 105.804 -8.860 -18.785 1.00 0.14 H new ATOM 0 HA ASN A 16 107.289 -8.073 -21.101 1.00 0.16 H new ATOM 0 HB2 ASN A 16 107.642 -10.571 -21.209 1.00 0.16 H new ATOM 0 HB3 ASN A 16 107.768 -10.007 -19.555 1.00 0.16 H new ATOM 0 HD21 ASN A 16 105.188 -12.225 -18.488 1.00 0.36 H new ATOM 0 HD22 ASN A 16 106.679 -11.353 -18.115 1.00 0.36 H new ATOM 282 N ASN A 17 104.302 -9.042 -21.821 1.00 0.19 N ATOM 283 CA ASN A 17 103.361 -9.225 -22.970 1.00 0.21 C ATOM 284 C ASN A 17 102.759 -7.878 -23.409 1.00 0.19 C ATOM 285 O ASN A 17 101.689 -7.836 -23.986 1.00 0.22 O ATOM 286 CB ASN A 17 102.270 -10.180 -22.452 1.00 0.26 C ATOM 287 CG ASN A 17 101.500 -9.553 -21.279 1.00 0.27 C ATOM 288 OD1 ASN A 17 101.956 -8.607 -20.666 1.00 0.77 O ATOM 289 ND2 ASN A 17 100.341 -10.049 -20.939 1.00 0.95 N ATOM 0 H ASN A 17 103.862 -9.021 -20.901 1.00 0.19 H new ATOM 0 HA ASN A 17 103.865 -9.629 -23.848 1.00 0.21 H new ATOM 0 HB2 ASN A 17 101.578 -10.419 -23.259 1.00 0.26 H new ATOM 0 HB3 ASN A 17 102.724 -11.118 -22.133 1.00 0.26 H new ATOM 0 HD21 ASN A 17 99.821 -9.643 -20.161 1.00 0.95 H new ATOM 0 HD22 ASN A 17 99.956 -10.842 -21.451 1.00 0.95 H new ATOM 296 N ASP A 18 103.438 -6.774 -23.135 1.00 0.17 N ATOM 297 CA ASP A 18 102.978 -5.429 -23.629 1.00 0.18 C ATOM 298 C ASP A 18 101.562 -5.119 -23.124 1.00 0.19 C ATOM 299 O ASP A 18 100.829 -4.367 -23.740 1.00 0.23 O ATOM 300 CB ASP A 18 103.001 -5.505 -25.163 1.00 0.21 C ATOM 301 CG ASP A 18 104.449 -5.597 -25.651 1.00 0.34 C ATOM 302 OD1 ASP A 18 105.206 -6.351 -25.064 1.00 1.07 O ATOM 303 OD2 ASP A 18 104.775 -4.909 -26.605 1.00 0.94 O ATOM 0 H ASP A 18 104.297 -6.753 -22.586 1.00 0.17 H new ATOM 0 HA ASP A 18 103.625 -4.632 -23.262 1.00 0.18 H new ATOM 0 HB2 ASP A 18 102.436 -6.373 -25.503 1.00 0.21 H new ATOM 0 HB3 ASP A 18 102.519 -4.625 -25.588 1.00 0.21 H new ATOM 308 N SER A 19 101.173 -5.693 -22.006 1.00 0.19 N ATOM 309 CA SER A 19 99.905 -5.272 -21.345 1.00 0.23 C ATOM 310 C SER A 19 100.227 -4.265 -20.240 1.00 0.21 C ATOM 311 O SER A 19 101.219 -4.399 -19.547 1.00 0.23 O ATOM 312 CB SER A 19 99.308 -6.555 -20.760 1.00 0.27 C ATOM 313 OG SER A 19 100.039 -6.935 -19.600 1.00 0.27 O ATOM 0 H SER A 19 101.684 -6.435 -21.527 1.00 0.19 H new ATOM 0 HA SER A 19 99.208 -4.792 -22.032 1.00 0.23 H new ATOM 0 HB2 SER A 19 98.260 -6.398 -20.506 1.00 0.27 H new ATOM 0 HB3 SER A 19 99.340 -7.354 -21.501 1.00 0.27 H new ATOM 0 HG SER A 19 100.701 -7.617 -19.839 1.00 0.27 H new ATOM 319 N LYS A 20 99.401 -3.266 -20.068 1.00 0.19 N ATOM 320 CA LYS A 20 99.715 -2.197 -19.071 1.00 0.16 C ATOM 321 C LYS A 20 98.766 -2.279 -17.869 1.00 0.17 C ATOM 322 O LYS A 20 97.581 -2.515 -18.017 1.00 0.20 O ATOM 323 CB LYS A 20 99.542 -0.863 -19.824 1.00 0.19 C ATOM 324 CG LYS A 20 98.094 -0.694 -20.314 1.00 1.11 C ATOM 325 CD LYS A 20 97.932 0.684 -20.958 1.00 1.26 C ATOM 326 CE LYS A 20 97.924 1.761 -19.870 1.00 2.02 C ATOM 327 NZ LYS A 20 97.108 2.872 -20.435 1.00 2.26 N ATOM 0 H LYS A 20 98.524 -3.143 -20.573 1.00 0.19 H new ATOM 0 HA LYS A 20 100.724 -2.301 -18.673 1.00 0.16 H new ATOM 0 HB2 LYS A 20 99.808 -0.034 -19.169 1.00 0.19 H new ATOM 0 HB3 LYS A 20 100.224 -0.829 -20.674 1.00 0.19 H new ATOM 0 HG2 LYS A 20 97.849 -1.475 -21.034 1.00 1.11 H new ATOM 0 HG3 LYS A 20 97.401 -0.801 -19.479 1.00 1.11 H new ATOM 0 HD2 LYS A 20 98.746 0.867 -21.659 1.00 1.26 H new ATOM 0 HD3 LYS A 20 97.005 0.723 -21.529 1.00 1.26 H new ATOM 0 HE2 LYS A 20 97.490 1.384 -18.944 1.00 2.02 H new ATOM 0 HE3 LYS A 20 98.935 2.093 -19.636 1.00 2.02 H new ATOM 0 HZ1 LYS A 20 97.056 3.650 -19.746 1.00 2.26 H new ATOM 0 HZ2 LYS A 20 97.549 3.215 -21.312 1.00 2.26 H new ATOM 0 HZ3 LYS A 20 96.149 2.528 -20.642 1.00 2.26 H new ATOM 341 N ALA A 21 99.288 -2.087 -16.683 1.00 0.16 N ATOM 342 CA ALA A 21 98.420 -2.046 -15.466 1.00 0.18 C ATOM 343 C ALA A 21 98.933 -0.982 -14.492 1.00 0.16 C ATOM 344 O ALA A 21 100.122 -0.727 -14.415 1.00 0.15 O ATOM 345 CB ALA A 21 98.535 -3.439 -14.848 1.00 0.24 C ATOM 0 H ALA A 21 100.284 -1.956 -16.505 1.00 0.16 H new ATOM 0 HA ALA A 21 97.387 -1.792 -15.702 1.00 0.18 H new ATOM 0 HB1 ALA A 21 97.924 -3.489 -13.947 1.00 0.24 H new ATOM 0 HB2 ALA A 21 98.188 -4.184 -15.564 1.00 0.24 H new ATOM 0 HB3 ALA A 21 99.576 -3.639 -14.592 1.00 0.24 H new ATOM 351 N ARG A 22 98.049 -0.361 -13.748 1.00 0.19 N ATOM 352 CA ARG A 22 98.479 0.701 -12.787 1.00 0.21 C ATOM 353 C ARG A 22 97.774 0.521 -11.443 1.00 0.25 C ATOM 354 O ARG A 22 96.691 -0.030 -11.373 1.00 0.36 O ATOM 355 CB ARG A 22 98.086 2.037 -13.442 1.00 0.33 C ATOM 356 CG ARG A 22 96.569 2.096 -13.680 1.00 0.41 C ATOM 357 CD ARG A 22 96.229 3.340 -14.505 1.00 0.42 C ATOM 358 NE ARG A 22 94.734 3.380 -14.552 1.00 1.08 N ATOM 359 CZ ARG A 22 94.044 2.577 -15.339 1.00 1.54 C ATOM 360 NH1 ARG A 22 94.634 1.692 -16.112 1.00 2.11 N ATOM 361 NH2 ARG A 22 92.742 2.658 -15.347 1.00 2.08 N ATOM 0 H ARG A 22 97.046 -0.545 -13.766 1.00 0.19 H new ATOM 0 HA ARG A 22 99.549 0.658 -12.586 1.00 0.21 H new ATOM 0 HB2 ARG A 22 98.392 2.865 -12.803 1.00 0.33 H new ATOM 0 HB3 ARG A 22 98.613 2.153 -14.389 1.00 0.33 H new ATOM 0 HG2 ARG A 22 96.237 1.199 -14.202 1.00 0.41 H new ATOM 0 HG3 ARG A 22 96.041 2.124 -12.727 1.00 0.41 H new ATOM 0 HD2 ARG A 22 96.633 4.241 -14.044 1.00 0.42 H new ATOM 0 HD3 ARG A 22 96.653 3.277 -15.507 1.00 0.42 H new ATOM 0 HE ARG A 22 94.236 4.045 -13.961 1.00 1.08 H new ATOM 0 HH11 ARG A 22 95.651 1.613 -16.113 1.00 2.11 H new ATOM 0 HH12 ARG A 22 94.075 1.084 -16.710 1.00 2.11 H new ATOM 0 HH21 ARG A 22 92.270 3.336 -14.749 1.00 2.08 H new ATOM 0 HH22 ARG A 22 92.196 2.043 -15.951 1.00 2.08 H new ATOM 375 N GLY A 23 98.387 0.979 -10.380 1.00 0.20 N ATOM 376 CA GLY A 23 97.728 0.910 -9.044 1.00 0.24 C ATOM 377 C GLY A 23 98.668 1.478 -7.982 1.00 0.18 C ATOM 378 O GLY A 23 99.766 1.910 -8.284 1.00 0.17 O ATOM 0 H GLY A 23 99.317 1.398 -10.382 1.00 0.20 H new ATOM 0 HA2 GLY A 23 96.795 1.473 -9.058 1.00 0.24 H new ATOM 0 HA3 GLY A 23 97.474 -0.123 -8.805 1.00 0.24 H new ATOM 382 N VAL A 24 98.245 1.480 -6.742 1.00 0.16 N ATOM 383 CA VAL A 24 99.131 1.970 -5.641 1.00 0.14 C ATOM 384 C VAL A 24 99.891 0.786 -5.035 1.00 0.17 C ATOM 385 O VAL A 24 99.315 -0.246 -4.745 1.00 0.28 O ATOM 386 CB VAL A 24 98.191 2.605 -4.603 1.00 0.12 C ATOM 387 CG1 VAL A 24 99.013 3.182 -3.445 1.00 0.15 C ATOM 388 CG2 VAL A 24 97.385 3.736 -5.253 1.00 0.14 C ATOM 0 H VAL A 24 97.322 1.163 -6.444 1.00 0.16 H new ATOM 0 HA VAL A 24 99.871 2.689 -5.991 1.00 0.14 H new ATOM 0 HB VAL A 24 97.512 1.839 -4.228 1.00 0.12 H new ATOM 0 HG11 VAL A 24 98.343 3.631 -2.712 1.00 0.15 H new ATOM 0 HG12 VAL A 24 99.586 2.384 -2.972 1.00 0.15 H new ATOM 0 HG13 VAL A 24 99.695 3.942 -3.826 1.00 0.15 H new ATOM 0 HG21 VAL A 24 96.721 4.182 -4.512 1.00 0.14 H new ATOM 0 HG22 VAL A 24 98.067 4.497 -5.633 1.00 0.14 H new ATOM 0 HG23 VAL A 24 96.793 3.335 -6.076 1.00 0.14 H new ATOM 398 N ILE A 25 101.179 0.931 -4.842 1.00 0.16 N ATOM 399 CA ILE A 25 101.997 -0.203 -4.303 1.00 0.18 C ATOM 400 C ILE A 25 101.571 -0.529 -2.862 1.00 0.21 C ATOM 401 O ILE A 25 101.356 0.355 -2.053 1.00 0.25 O ATOM 402 CB ILE A 25 103.457 0.286 -4.367 1.00 0.25 C ATOM 403 CG1 ILE A 25 103.920 0.284 -5.828 1.00 0.29 C ATOM 404 CG2 ILE A 25 104.377 -0.628 -3.544 1.00 0.30 C ATOM 405 CD1 ILE A 25 105.158 1.170 -5.977 1.00 0.33 C ATOM 0 H ILE A 25 101.701 1.786 -5.034 1.00 0.16 H new ATOM 0 HA ILE A 25 101.864 -1.122 -4.874 1.00 0.18 H new ATOM 0 HB ILE A 25 103.508 1.293 -3.953 1.00 0.25 H new ATOM 0 HG12 ILE A 25 104.148 -0.733 -6.146 1.00 0.29 H new ATOM 0 HG13 ILE A 25 103.121 0.648 -6.474 1.00 0.29 H new ATOM 0 HG21 ILE A 25 105.402 -0.262 -3.605 1.00 0.30 H new ATOM 0 HG22 ILE A 25 104.053 -0.628 -2.503 1.00 0.30 H new ATOM 0 HG23 ILE A 25 104.330 -1.643 -3.939 1.00 0.30 H new ATOM 0 HD11 ILE A 25 105.485 1.167 -7.017 1.00 0.33 H new ATOM 0 HD12 ILE A 25 104.914 2.189 -5.677 1.00 0.33 H new ATOM 0 HD13 ILE A 25 105.958 0.787 -5.344 1.00 0.33 H new ATOM 417 N THR A 26 101.452 -1.798 -2.552 1.00 0.23 N ATOM 418 CA THR A 26 101.012 -2.210 -1.186 1.00 0.29 C ATOM 419 C THR A 26 102.017 -3.174 -0.536 1.00 0.36 C ATOM 420 O THR A 26 101.977 -3.376 0.662 1.00 0.56 O ATOM 421 CB THR A 26 99.665 -2.903 -1.393 1.00 0.29 C ATOM 422 OG1 THR A 26 99.798 -3.915 -2.381 1.00 0.28 O ATOM 423 CG2 THR A 26 98.624 -1.877 -1.846 1.00 0.25 C ATOM 0 H THR A 26 101.643 -2.569 -3.192 1.00 0.23 H new ATOM 0 HA THR A 26 100.940 -1.352 -0.517 1.00 0.29 H new ATOM 0 HB THR A 26 99.342 -3.354 -0.455 1.00 0.29 H new ATOM 0 HG1 THR A 26 100.096 -3.513 -3.223 1.00 0.28 H new ATOM 0 HG21 THR A 26 97.664 -2.373 -1.993 1.00 0.25 H new ATOM 0 HG22 THR A 26 98.520 -1.104 -1.085 1.00 0.25 H new ATOM 0 HG23 THR A 26 98.945 -1.423 -2.783 1.00 0.25 H new ATOM 431 N ASN A 27 102.911 -3.777 -1.298 1.00 0.21 N ATOM 432 CA ASN A 27 103.975 -4.618 -0.659 1.00 0.20 C ATOM 433 C ASN A 27 105.181 -4.781 -1.587 1.00 0.21 C ATOM 434 O ASN A 27 105.059 -4.729 -2.796 1.00 0.20 O ATOM 435 CB ASN A 27 103.309 -5.971 -0.407 1.00 0.21 C ATOM 436 CG ASN A 27 104.172 -6.796 0.549 1.00 0.23 C ATOM 437 OD1 ASN A 27 104.378 -6.414 1.684 1.00 1.08 O ATOM 438 ND2 ASN A 27 104.691 -7.919 0.135 1.00 1.13 N ATOM 0 H ASN A 27 102.947 -3.722 -2.316 1.00 0.21 H new ATOM 0 HA ASN A 27 104.352 -4.164 0.257 1.00 0.20 H new ATOM 0 HB2 ASN A 27 102.315 -5.826 0.017 1.00 0.21 H new ATOM 0 HB3 ASN A 27 103.179 -6.505 -1.348 1.00 0.21 H new ATOM 0 HD21 ASN A 27 105.269 -8.476 0.764 1.00 1.13 H new ATOM 0 HD22 ASN A 27 104.518 -8.240 -0.818 1.00 1.13 H new ATOM 445 N PHE A 28 106.346 -4.974 -1.015 1.00 0.25 N ATOM 446 CA PHE A 28 107.564 -5.264 -1.830 1.00 0.27 C ATOM 447 C PHE A 28 108.514 -6.158 -1.031 1.00 0.31 C ATOM 448 O PHE A 28 108.783 -5.909 0.129 1.00 0.38 O ATOM 449 CB PHE A 28 108.200 -3.901 -2.099 1.00 0.30 C ATOM 450 CG PHE A 28 109.371 -3.963 -3.050 1.00 0.34 C ATOM 451 CD1 PHE A 28 109.154 -4.242 -4.422 1.00 0.31 C ATOM 452 CD2 PHE A 28 110.686 -3.740 -2.572 1.00 0.42 C ATOM 453 CE1 PHE A 28 110.253 -4.299 -5.315 1.00 0.36 C ATOM 454 CE2 PHE A 28 111.783 -3.797 -3.465 1.00 0.46 C ATOM 455 CZ PHE A 28 111.567 -4.076 -4.836 1.00 0.43 C ATOM 0 H PHE A 28 106.504 -4.942 -0.008 1.00 0.25 H new ATOM 0 HA PHE A 28 107.333 -5.786 -2.758 1.00 0.27 H new ATOM 0 HB2 PHE A 28 107.444 -3.230 -2.508 1.00 0.30 H new ATOM 0 HB3 PHE A 28 108.531 -3.470 -1.154 1.00 0.30 H new ATOM 0 HD1 PHE A 28 108.152 -4.411 -4.787 1.00 0.31 H new ATOM 0 HD2 PHE A 28 110.851 -3.527 -1.526 1.00 0.42 H new ATOM 0 HE1 PHE A 28 110.088 -4.512 -6.361 1.00 0.36 H new ATOM 0 HE2 PHE A 28 112.785 -3.628 -3.100 1.00 0.46 H new ATOM 0 HZ PHE A 28 112.404 -4.119 -5.517 1.00 0.43 H new ATOM 465 N ASP A 29 109.023 -7.195 -1.647 1.00 0.27 N ATOM 466 CA ASP A 29 109.894 -8.164 -0.914 1.00 0.32 C ATOM 467 C ASP A 29 111.261 -8.253 -1.595 1.00 0.32 C ATOM 468 O ASP A 29 111.354 -8.564 -2.766 1.00 0.29 O ATOM 469 CB ASP A 29 109.159 -9.502 -1.002 1.00 0.32 C ATOM 470 CG ASP A 29 109.846 -10.525 -0.098 1.00 0.39 C ATOM 471 OD1 ASP A 29 110.739 -11.204 -0.577 1.00 0.95 O ATOM 472 OD2 ASP A 29 109.467 -10.614 1.059 1.00 1.04 O ATOM 0 H ASP A 29 108.872 -7.413 -2.632 1.00 0.27 H new ATOM 0 HA ASP A 29 110.071 -7.867 0.120 1.00 0.32 H new ATOM 0 HB2 ASP A 29 108.119 -9.377 -0.702 1.00 0.32 H new ATOM 0 HB3 ASP A 29 109.153 -9.858 -2.032 1.00 0.32 H new ATOM 477 N SER A 30 112.317 -7.983 -0.867 1.00 0.37 N ATOM 478 CA SER A 30 113.684 -7.988 -1.481 1.00 0.39 C ATOM 479 C SER A 30 114.151 -9.423 -1.758 1.00 0.39 C ATOM 480 O SER A 30 114.912 -9.664 -2.676 1.00 0.41 O ATOM 481 CB SER A 30 114.594 -7.321 -0.449 1.00 0.46 C ATOM 482 OG SER A 30 114.697 -8.158 0.696 1.00 1.31 O ATOM 0 H SER A 30 112.292 -7.759 0.128 1.00 0.37 H new ATOM 0 HA SER A 30 113.697 -7.464 -2.437 1.00 0.39 H new ATOM 0 HB2 SER A 30 115.581 -7.147 -0.876 1.00 0.46 H new ATOM 0 HB3 SER A 30 114.192 -6.348 -0.167 1.00 0.46 H new ATOM 0 HG SER A 30 115.281 -7.735 1.359 1.00 1.31 H new ATOM 488 N SER A 31 113.701 -10.374 -0.971 1.00 0.40 N ATOM 489 CA SER A 31 114.188 -11.786 -1.133 1.00 0.43 C ATOM 490 C SER A 31 113.782 -12.348 -2.500 1.00 0.39 C ATOM 491 O SER A 31 114.574 -12.979 -3.177 1.00 0.42 O ATOM 492 CB SER A 31 113.516 -12.581 -0.011 1.00 0.49 C ATOM 493 OG SER A 31 113.710 -11.904 1.225 1.00 1.13 O ATOM 0 H SER A 31 113.019 -10.235 -0.225 1.00 0.40 H new ATOM 0 HA SER A 31 115.275 -11.843 -1.079 1.00 0.43 H new ATOM 0 HB2 SER A 31 112.451 -12.691 -0.215 1.00 0.49 H new ATOM 0 HB3 SER A 31 113.936 -13.585 0.041 1.00 0.49 H new ATOM 0 HG SER A 31 113.279 -12.409 1.946 1.00 1.13 H new ATOM 499 N ASN A 32 112.556 -12.124 -2.909 1.00 0.35 N ATOM 500 CA ASN A 32 112.086 -12.657 -4.229 1.00 0.34 C ATOM 501 C ASN A 32 111.548 -11.530 -5.130 1.00 0.28 C ATOM 502 O ASN A 32 111.011 -11.791 -6.191 1.00 0.27 O ATOM 503 CB ASN A 32 110.965 -13.638 -3.881 1.00 0.39 C ATOM 504 CG ASN A 32 111.545 -14.840 -3.130 1.00 1.02 C ATOM 505 OD1 ASN A 32 112.638 -15.284 -3.423 1.00 1.68 O ATOM 506 ND2 ASN A 32 110.855 -15.388 -2.167 1.00 1.68 N ATOM 0 H ASN A 32 111.859 -11.594 -2.385 1.00 0.35 H new ATOM 0 HA ASN A 32 112.899 -13.129 -4.782 1.00 0.34 H new ATOM 0 HB2 ASN A 32 110.213 -13.142 -3.268 1.00 0.39 H new ATOM 0 HB3 ASN A 32 110.466 -13.972 -4.790 1.00 0.39 H new ATOM 0 HD21 ASN A 32 111.233 -16.189 -1.660 1.00 1.68 H new ATOM 0 HD22 ASN A 32 109.938 -15.016 -1.921 1.00 1.68 H new ATOM 513 N SER A 33 111.689 -10.281 -4.721 1.00 0.27 N ATOM 514 CA SER A 33 111.189 -9.126 -5.549 1.00 0.24 C ATOM 515 C SER A 33 109.716 -9.328 -5.947 1.00 0.19 C ATOM 516 O SER A 33 109.392 -9.511 -7.107 1.00 0.19 O ATOM 517 CB SER A 33 112.093 -9.089 -6.789 1.00 0.26 C ATOM 518 OG SER A 33 113.449 -9.261 -6.391 1.00 0.98 O ATOM 0 H SER A 33 112.133 -10.013 -3.842 1.00 0.27 H new ATOM 0 HA SER A 33 111.228 -8.188 -4.994 1.00 0.24 H new ATOM 0 HB2 SER A 33 111.805 -9.875 -7.486 1.00 0.26 H new ATOM 0 HB3 SER A 33 111.973 -8.140 -7.312 1.00 0.26 H new ATOM 0 HG SER A 33 114.027 -9.239 -7.182 1.00 0.98 H new ATOM 524 N ILE A 34 108.827 -9.296 -4.983 1.00 0.18 N ATOM 525 CA ILE A 34 107.371 -9.484 -5.284 1.00 0.15 C ATOM 526 C ILE A 34 106.604 -8.207 -4.920 1.00 0.14 C ATOM 527 O ILE A 34 106.774 -7.659 -3.849 1.00 0.20 O ATOM 528 CB ILE A 34 106.914 -10.664 -4.407 1.00 0.20 C ATOM 529 CG1 ILE A 34 107.796 -11.907 -4.662 1.00 0.23 C ATOM 530 CG2 ILE A 34 105.450 -11.002 -4.714 1.00 0.20 C ATOM 531 CD1 ILE A 34 107.706 -12.369 -6.129 1.00 0.21 C ATOM 0 H ILE A 34 109.047 -9.147 -3.998 1.00 0.18 H new ATOM 0 HA ILE A 34 107.188 -9.685 -6.340 1.00 0.15 H new ATOM 0 HB ILE A 34 107.011 -10.375 -3.361 1.00 0.20 H new ATOM 0 HG12 ILE A 34 108.832 -11.677 -4.414 1.00 0.23 H new ATOM 0 HG13 ILE A 34 107.484 -12.718 -4.004 1.00 0.23 H new ATOM 0 HG21 ILE A 34 105.131 -11.838 -4.091 1.00 0.20 H new ATOM 0 HG22 ILE A 34 104.825 -10.134 -4.505 1.00 0.20 H new ATOM 0 HG23 ILE A 34 105.352 -11.275 -5.765 1.00 0.20 H new ATOM 0 HD11 ILE A 34 108.338 -13.245 -6.274 1.00 0.21 H new ATOM 0 HD12 ILE A 34 106.673 -12.623 -6.368 1.00 0.21 H new ATOM 0 HD13 ILE A 34 108.043 -11.566 -6.785 1.00 0.21 H new ATOM 543 N LEU A 35 105.761 -7.738 -5.808 1.00 0.10 N ATOM 544 CA LEU A 35 105.083 -6.421 -5.594 1.00 0.11 C ATOM 545 C LEU A 35 103.564 -6.586 -5.677 1.00 0.10 C ATOM 546 O LEU A 35 103.038 -7.072 -6.660 1.00 0.08 O ATOM 547 CB LEU A 35 105.594 -5.538 -6.735 1.00 0.13 C ATOM 548 CG LEU A 35 105.072 -4.108 -6.567 1.00 0.17 C ATOM 549 CD1 LEU A 35 105.978 -3.341 -5.601 1.00 0.21 C ATOM 550 CD2 LEU A 35 105.070 -3.409 -7.928 1.00 0.19 C ATOM 0 H LEU A 35 105.512 -8.213 -6.676 1.00 0.10 H new ATOM 0 HA LEU A 35 105.297 -5.994 -4.614 1.00 0.11 H new ATOM 0 HB2 LEU A 35 106.684 -5.537 -6.744 1.00 0.13 H new ATOM 0 HB3 LEU A 35 105.267 -5.943 -7.693 1.00 0.13 H new ATOM 0 HG LEU A 35 104.059 -4.134 -6.167 1.00 0.17 H new ATOM 0 HD11 LEU A 35 105.605 -2.324 -5.483 1.00 0.21 H new ATOM 0 HD12 LEU A 35 105.983 -3.841 -4.632 1.00 0.21 H new ATOM 0 HD13 LEU A 35 106.992 -3.312 -5.999 1.00 0.21 H new ATOM 0 HD21 LEU A 35 104.699 -2.390 -7.813 1.00 0.19 H new ATOM 0 HD22 LEU A 35 106.085 -3.383 -8.325 1.00 0.19 H new ATOM 0 HD23 LEU A 35 104.425 -3.955 -8.616 1.00 0.19 H new ATOM 562 N GLN A 36 102.864 -6.180 -4.649 1.00 0.12 N ATOM 563 CA GLN A 36 101.374 -6.156 -4.711 1.00 0.12 C ATOM 564 C GLN A 36 100.901 -4.749 -5.068 1.00 0.11 C ATOM 565 O GLN A 36 101.284 -3.785 -4.434 1.00 0.12 O ATOM 566 CB GLN A 36 100.908 -6.541 -3.307 1.00 0.13 C ATOM 567 CG GLN A 36 101.093 -8.044 -3.101 1.00 0.14 C ATOM 568 CD GLN A 36 100.580 -8.438 -1.715 1.00 0.16 C ATOM 569 OE1 GLN A 36 99.395 -8.614 -1.520 1.00 0.93 O ATOM 570 NE2 GLN A 36 101.431 -8.585 -0.736 1.00 0.87 N ATOM 0 H GLN A 36 103.264 -5.863 -3.766 1.00 0.12 H new ATOM 0 HA GLN A 36 100.975 -6.835 -5.465 1.00 0.12 H new ATOM 0 HB2 GLN A 36 101.477 -5.988 -2.559 1.00 0.13 H new ATOM 0 HB3 GLN A 36 99.860 -6.271 -3.174 1.00 0.13 H new ATOM 0 HG2 GLN A 36 100.553 -8.596 -3.870 1.00 0.14 H new ATOM 0 HG3 GLN A 36 102.146 -8.308 -3.199 1.00 0.14 H new ATOM 0 HE21 GLN A 36 102.427 -8.437 -0.899 1.00 0.87 H new ATOM 0 HE22 GLN A 36 101.100 -8.848 0.192 1.00 0.87 H new ATOM 579 N LEU A 37 100.075 -4.627 -6.079 1.00 0.11 N ATOM 580 CA LEU A 37 99.551 -3.285 -6.473 1.00 0.10 C ATOM 581 C LEU A 37 98.056 -3.192 -6.161 1.00 0.12 C ATOM 582 O LEU A 37 97.274 -4.017 -6.597 1.00 0.13 O ATOM 583 CB LEU A 37 99.785 -3.184 -7.983 1.00 0.12 C ATOM 584 CG LEU A 37 101.288 -3.190 -8.284 1.00 0.23 C ATOM 585 CD1 LEU A 37 101.504 -3.318 -9.793 1.00 0.24 C ATOM 586 CD2 LEU A 37 101.915 -1.882 -7.793 1.00 0.36 C ATOM 0 H LEU A 37 99.741 -5.404 -6.650 1.00 0.11 H new ATOM 0 HA LEU A 37 100.046 -2.479 -5.931 1.00 0.10 H new ATOM 0 HB2 LEU A 37 99.301 -4.018 -8.491 1.00 0.12 H new ATOM 0 HB3 LEU A 37 99.332 -2.271 -8.369 1.00 0.12 H new ATOM 0 HG LEU A 37 101.755 -4.032 -7.774 1.00 0.23 H new ATOM 0 HD11 LEU A 37 102.572 -3.322 -10.009 1.00 0.24 H new ATOM 0 HD12 LEU A 37 101.059 -4.248 -10.147 1.00 0.24 H new ATOM 0 HD13 LEU A 37 101.035 -2.475 -10.300 1.00 0.24 H new ATOM 0 HD21 LEU A 37 102.984 -1.888 -8.008 1.00 0.36 H new ATOM 0 HD22 LEU A 37 101.447 -1.040 -8.303 1.00 0.36 H new ATOM 0 HD23 LEU A 37 101.761 -1.786 -6.718 1.00 0.36 H new ATOM 598 N ARG A 38 97.659 -2.195 -5.410 1.00 0.14 N ATOM 599 CA ARG A 38 96.203 -2.000 -5.121 1.00 0.17 C ATOM 600 C ARG A 38 95.699 -0.725 -5.808 1.00 0.13 C ATOM 601 O ARG A 38 96.180 0.360 -5.547 1.00 0.10 O ATOM 602 CB ARG A 38 96.112 -1.869 -3.599 1.00 0.20 C ATOM 603 CG ARG A 38 94.643 -1.818 -3.170 1.00 0.77 C ATOM 604 CD ARG A 38 94.561 -1.668 -1.647 1.00 0.92 C ATOM 605 NE ARG A 38 93.100 -1.746 -1.319 1.00 1.56 N ATOM 606 CZ ARG A 38 92.683 -1.990 -0.090 1.00 2.22 C ATOM 607 NH1 ARG A 38 93.526 -2.169 0.902 1.00 2.92 N ATOM 608 NH2 ARG A 38 91.401 -2.052 0.146 1.00 2.63 N ATOM 0 H ARG A 38 98.280 -1.507 -4.984 1.00 0.14 H new ATOM 0 HA ARG A 38 95.592 -2.823 -5.491 1.00 0.17 H new ATOM 0 HB2 ARG A 38 96.611 -2.713 -3.122 1.00 0.20 H new ATOM 0 HB3 ARG A 38 96.628 -0.967 -3.271 1.00 0.20 H new ATOM 0 HG2 ARG A 38 94.140 -0.982 -3.656 1.00 0.77 H new ATOM 0 HG3 ARG A 38 94.129 -2.726 -3.485 1.00 0.77 H new ATOM 0 HD2 ARG A 38 95.120 -2.457 -1.144 1.00 0.92 H new ATOM 0 HD3 ARG A 38 94.987 -0.719 -1.322 1.00 0.92 H new ATOM 0 HE ARG A 38 92.414 -1.608 -2.061 1.00 1.56 H new ATOM 0 HH11 ARG A 38 94.531 -2.121 0.732 1.00 2.92 H new ATOM 0 HH12 ARG A 38 93.176 -2.356 1.842 1.00 2.92 H new ATOM 0 HH21 ARG A 38 90.735 -1.913 -0.614 1.00 2.63 H new ATOM 0 HH22 ARG A 38 91.065 -2.240 1.091 1.00 2.63 H new ATOM 622 N LEU A 39 94.730 -0.858 -6.680 1.00 0.22 N ATOM 623 CA LEU A 39 94.270 0.309 -7.492 1.00 0.25 C ATOM 624 C LEU A 39 92.961 0.878 -6.924 1.00 0.22 C ATOM 625 O LEU A 39 92.228 0.203 -6.219 1.00 0.23 O ATOM 626 CB LEU A 39 94.074 -0.262 -8.905 1.00 0.39 C ATOM 627 CG LEU A 39 93.526 0.803 -9.868 1.00 0.37 C ATOM 628 CD1 LEU A 39 94.533 1.946 -10.040 1.00 0.44 C ATOM 629 CD2 LEU A 39 93.282 0.154 -11.229 1.00 0.48 C ATOM 0 H LEU A 39 94.235 -1.731 -6.865 1.00 0.22 H new ATOM 0 HA LEU A 39 94.980 1.136 -7.485 1.00 0.25 H new ATOM 0 HB2 LEU A 39 95.024 -0.641 -9.281 1.00 0.39 H new ATOM 0 HB3 LEU A 39 93.387 -1.107 -8.866 1.00 0.39 H new ATOM 0 HG LEU A 39 92.600 1.207 -9.459 1.00 0.37 H new ATOM 0 HD11 LEU A 39 94.126 2.689 -10.725 1.00 0.44 H new ATOM 0 HD12 LEU A 39 94.725 2.411 -9.073 1.00 0.44 H new ATOM 0 HD13 LEU A 39 95.465 1.552 -10.444 1.00 0.44 H new ATOM 0 HD21 LEU A 39 92.893 0.899 -11.923 1.00 0.48 H new ATOM 0 HD22 LEU A 39 94.220 -0.246 -11.615 1.00 0.48 H new ATOM 0 HD23 LEU A 39 92.559 -0.655 -11.122 1.00 0.48 H new ATOM 641 N ALA A 40 92.669 2.121 -7.240 1.00 0.21 N ATOM 642 CA ALA A 40 91.525 2.839 -6.581 1.00 0.19 C ATOM 643 C ALA A 40 90.160 2.265 -7.002 1.00 0.23 C ATOM 644 O ALA A 40 89.131 2.725 -6.538 1.00 0.27 O ATOM 645 CB ALA A 40 91.648 4.295 -7.040 1.00 0.20 C ATOM 0 H ALA A 40 93.178 2.673 -7.931 1.00 0.21 H new ATOM 0 HA ALA A 40 91.573 2.732 -5.497 1.00 0.19 H new ATOM 0 HB1 ALA A 40 90.844 4.885 -6.599 1.00 0.20 H new ATOM 0 HB2 ALA A 40 92.610 4.697 -6.722 1.00 0.20 H new ATOM 0 HB3 ALA A 40 91.577 4.341 -8.127 1.00 0.20 H new ATOM 651 N ASN A 41 90.132 1.276 -7.867 1.00 0.25 N ATOM 652 CA ASN A 41 88.839 0.591 -8.190 1.00 0.29 C ATOM 653 C ASN A 41 88.568 -0.559 -7.204 1.00 0.30 C ATOM 654 O ASN A 41 87.883 -1.508 -7.537 1.00 0.34 O ATOM 655 CB ASN A 41 89.023 0.040 -9.607 1.00 0.33 C ATOM 656 CG ASN A 41 89.134 1.200 -10.599 1.00 1.21 C ATOM 657 OD1 ASN A 41 90.072 1.268 -11.370 1.00 1.86 O ATOM 658 ND2 ASN A 41 88.210 2.121 -10.612 1.00 1.89 N ATOM 0 H ASN A 41 90.948 0.915 -8.362 1.00 0.25 H new ATOM 0 HA ASN A 41 87.992 1.273 -8.118 1.00 0.29 H new ATOM 0 HB2 ASN A 41 89.919 -0.579 -9.654 1.00 0.33 H new ATOM 0 HB3 ASN A 41 88.180 -0.599 -9.872 1.00 0.33 H new ATOM 0 HD21 ASN A 41 88.274 2.899 -11.269 1.00 1.89 H new ATOM 0 HD22 ASN A 41 87.423 2.063 -9.965 1.00 1.89 H new ATOM 665 N ASP A 42 89.098 -0.489 -5.991 1.00 0.28 N ATOM 666 CA ASP A 42 88.859 -1.569 -4.972 1.00 0.32 C ATOM 667 C ASP A 42 89.402 -2.913 -5.477 1.00 0.33 C ATOM 668 O ASP A 42 88.910 -3.961 -5.104 1.00 0.37 O ATOM 669 CB ASP A 42 87.337 -1.645 -4.782 1.00 0.36 C ATOM 670 CG ASP A 42 87.022 -2.339 -3.455 1.00 1.03 C ATOM 671 OD1 ASP A 42 86.888 -3.552 -3.462 1.00 1.95 O ATOM 672 OD2 ASP A 42 86.920 -1.647 -2.457 1.00 1.33 O ATOM 0 H ASP A 42 89.689 0.277 -5.667 1.00 0.28 H new ATOM 0 HA ASP A 42 89.368 -1.349 -4.033 1.00 0.32 H new ATOM 0 HB2 ASP A 42 86.908 -0.643 -4.791 1.00 0.36 H new ATOM 0 HB3 ASP A 42 86.884 -2.193 -5.608 1.00 0.36 H new ATOM 677 N SER A 43 90.413 -2.890 -6.324 1.00 0.31 N ATOM 678 CA SER A 43 90.991 -4.170 -6.839 1.00 0.33 C ATOM 679 C SER A 43 92.485 -4.245 -6.511 1.00 0.30 C ATOM 680 O SER A 43 93.207 -3.273 -6.648 1.00 0.30 O ATOM 681 CB SER A 43 90.771 -4.125 -8.350 1.00 0.34 C ATOM 682 OG SER A 43 89.378 -4.204 -8.624 1.00 0.36 O ATOM 0 H SER A 43 90.857 -2.042 -6.676 1.00 0.31 H new ATOM 0 HA SER A 43 90.525 -5.046 -6.388 1.00 0.33 H new ATOM 0 HB2 SER A 43 91.183 -3.204 -8.762 1.00 0.34 H new ATOM 0 HB3 SER A 43 91.295 -4.951 -8.830 1.00 0.34 H new ATOM 0 HG SER A 43 88.936 -3.388 -8.309 1.00 0.36 H new ATOM 688 N THR A 44 92.948 -5.393 -6.080 1.00 0.30 N ATOM 689 CA THR A 44 94.397 -5.552 -5.745 1.00 0.28 C ATOM 690 C THR A 44 94.955 -6.822 -6.397 1.00 0.25 C ATOM 691 O THR A 44 94.259 -7.810 -6.539 1.00 0.29 O ATOM 692 CB THR A 44 94.453 -5.647 -4.211 1.00 0.33 C ATOM 693 OG1 THR A 44 95.804 -5.793 -3.799 1.00 0.34 O ATOM 694 CG2 THR A 44 93.637 -6.849 -3.715 1.00 0.36 C ATOM 0 H THR A 44 92.381 -6.230 -5.945 1.00 0.30 H new ATOM 0 HA THR A 44 94.999 -4.721 -6.114 1.00 0.28 H new ATOM 0 HB THR A 44 94.029 -4.737 -3.787 1.00 0.33 H new ATOM 0 HG1 THR A 44 95.843 -5.852 -2.822 1.00 0.34 H new ATOM 0 HG21 THR A 44 93.688 -6.900 -2.627 1.00 0.36 H new ATOM 0 HG22 THR A 44 92.598 -6.736 -4.024 1.00 0.36 H new ATOM 0 HG23 THR A 44 94.044 -7.766 -4.141 1.00 0.36 H new ATOM 702 N LYS A 45 96.204 -6.797 -6.793 1.00 0.21 N ATOM 703 CA LYS A 45 96.806 -7.988 -7.468 1.00 0.21 C ATOM 704 C LYS A 45 98.272 -8.151 -7.060 1.00 0.16 C ATOM 705 O LYS A 45 99.006 -7.184 -6.961 1.00 0.20 O ATOM 706 CB LYS A 45 96.692 -7.692 -8.964 1.00 0.29 C ATOM 707 CG LYS A 45 97.053 -8.948 -9.762 1.00 1.04 C ATOM 708 CD LYS A 45 96.941 -8.652 -11.259 1.00 1.02 C ATOM 709 CE LYS A 45 97.159 -9.941 -12.053 1.00 1.85 C ATOM 710 NZ LYS A 45 97.524 -9.491 -13.426 1.00 2.29 N ATOM 0 H LYS A 45 96.833 -6.002 -6.678 1.00 0.21 H new ATOM 0 HA LYS A 45 96.302 -8.915 -7.195 1.00 0.21 H new ATOM 0 HB2 LYS A 45 95.678 -7.373 -9.206 1.00 0.29 H new ATOM 0 HB3 LYS A 45 97.357 -6.872 -9.235 1.00 0.29 H new ATOM 0 HG2 LYS A 45 98.066 -9.268 -9.519 1.00 1.04 H new ATOM 0 HG3 LYS A 45 96.387 -9.767 -9.492 1.00 1.04 H new ATOM 0 HD2 LYS A 45 95.960 -8.235 -11.485 1.00 1.02 H new ATOM 0 HD3 LYS A 45 97.680 -7.905 -11.549 1.00 1.02 H new ATOM 0 HE2 LYS A 45 97.951 -10.547 -11.613 1.00 1.85 H new ATOM 0 HE3 LYS A 45 96.258 -10.554 -12.065 1.00 1.85 H new ATOM 0 HZ1 LYS A 45 97.689 -10.321 -14.031 1.00 2.29 H new ATOM 0 HZ2 LYS A 45 96.749 -8.922 -13.823 1.00 2.29 H new ATOM 0 HZ3 LYS A 45 98.389 -8.915 -13.384 1.00 2.29 H new ATOM 724 N SER A 46 98.699 -9.367 -6.823 1.00 0.14 N ATOM 725 CA SER A 46 100.132 -9.614 -6.474 1.00 0.11 C ATOM 726 C SER A 46 100.912 -10.022 -7.725 1.00 0.12 C ATOM 727 O SER A 46 100.611 -11.021 -8.354 1.00 0.16 O ATOM 728 CB SER A 46 100.102 -10.758 -5.461 1.00 0.14 C ATOM 729 OG SER A 46 99.661 -11.946 -6.106 1.00 0.17 O ATOM 0 H SER A 46 98.114 -10.202 -6.856 1.00 0.14 H new ATOM 0 HA SER A 46 100.620 -8.727 -6.069 1.00 0.11 H new ATOM 0 HB2 SER A 46 101.094 -10.908 -5.036 1.00 0.14 H new ATOM 0 HB3 SER A 46 99.435 -10.510 -4.635 1.00 0.14 H new ATOM 0 HG SER A 46 99.758 -11.847 -7.076 1.00 0.17 H new ATOM 735 N ILE A 47 101.914 -9.257 -8.088 1.00 0.11 N ATOM 736 CA ILE A 47 102.700 -9.568 -9.322 1.00 0.14 C ATOM 737 C ILE A 47 104.195 -9.557 -8.992 1.00 0.13 C ATOM 738 O ILE A 47 104.695 -8.627 -8.385 1.00 0.12 O ATOM 739 CB ILE A 47 102.355 -8.453 -10.323 1.00 0.17 C ATOM 740 CG1 ILE A 47 100.843 -8.441 -10.596 1.00 0.20 C ATOM 741 CG2 ILE A 47 103.096 -8.693 -11.643 1.00 0.21 C ATOM 742 CD1 ILE A 47 100.468 -7.167 -11.359 1.00 0.25 C ATOM 0 H ILE A 47 102.222 -8.428 -7.580 1.00 0.11 H new ATOM 0 HA ILE A 47 102.463 -10.551 -9.729 1.00 0.14 H new ATOM 0 HB ILE A 47 102.658 -7.496 -9.898 1.00 0.17 H new ATOM 0 HG12 ILE A 47 100.561 -9.320 -11.175 1.00 0.20 H new ATOM 0 HG13 ILE A 47 100.293 -8.489 -9.656 1.00 0.20 H new ATOM 0 HG21 ILE A 47 102.848 -7.900 -12.349 1.00 0.21 H new ATOM 0 HG22 ILE A 47 104.171 -8.695 -11.462 1.00 0.21 H new ATOM 0 HG23 ILE A 47 102.797 -9.655 -12.058 1.00 0.21 H new ATOM 0 HD11 ILE A 47 99.395 -7.161 -11.552 1.00 0.25 H new ATOM 0 HD12 ILE A 47 100.735 -6.294 -10.763 1.00 0.25 H new ATOM 0 HD13 ILE A 47 101.007 -7.138 -12.306 1.00 0.25 H new ATOM 754 N VAL A 48 104.909 -10.583 -9.385 1.00 0.16 N ATOM 755 CA VAL A 48 106.388 -10.600 -9.153 1.00 0.15 C ATOM 756 C VAL A 48 107.058 -9.611 -10.113 1.00 0.15 C ATOM 757 O VAL A 48 106.731 -9.553 -11.281 1.00 0.17 O ATOM 758 CB VAL A 48 106.851 -12.041 -9.434 1.00 0.20 C ATOM 759 CG1 VAL A 48 108.347 -12.176 -9.111 1.00 0.21 C ATOM 760 CG2 VAL A 48 106.042 -13.038 -8.582 1.00 0.23 C ATOM 0 H VAL A 48 104.534 -11.407 -9.855 1.00 0.16 H new ATOM 0 HA VAL A 48 106.651 -10.306 -8.137 1.00 0.15 H new ATOM 0 HB VAL A 48 106.686 -12.265 -10.488 1.00 0.20 H new ATOM 0 HG11 VAL A 48 108.672 -13.197 -9.311 1.00 0.21 H new ATOM 0 HG12 VAL A 48 108.917 -11.486 -9.733 1.00 0.21 H new ATOM 0 HG13 VAL A 48 108.515 -11.941 -8.060 1.00 0.21 H new ATOM 0 HG21 VAL A 48 106.380 -14.053 -8.791 1.00 0.23 H new ATOM 0 HG22 VAL A 48 106.190 -12.817 -7.525 1.00 0.23 H new ATOM 0 HG23 VAL A 48 104.983 -12.950 -8.827 1.00 0.23 H new ATOM 770 N THR A 49 107.993 -8.837 -9.623 1.00 0.13 N ATOM 771 CA THR A 49 108.588 -7.741 -10.457 1.00 0.13 C ATOM 772 C THR A 49 109.319 -8.304 -11.682 1.00 0.15 C ATOM 773 O THR A 49 109.475 -7.624 -12.679 1.00 0.17 O ATOM 774 CB THR A 49 109.569 -7.005 -9.538 1.00 0.15 C ATOM 775 OG1 THR A 49 110.525 -7.928 -9.039 1.00 0.18 O ATOM 776 CG2 THR A 49 108.810 -6.368 -8.372 1.00 0.17 C ATOM 0 H THR A 49 108.373 -8.915 -8.680 1.00 0.13 H new ATOM 0 HA THR A 49 107.813 -7.077 -10.841 1.00 0.13 H new ATOM 0 HB THR A 49 110.076 -6.222 -10.101 1.00 0.15 H new ATOM 0 HG1 THR A 49 110.146 -8.410 -8.275 1.00 0.18 H new ATOM 0 HG21 THR A 49 109.513 -5.846 -7.722 1.00 0.17 H new ATOM 0 HG22 THR A 49 108.078 -5.659 -8.758 1.00 0.17 H new ATOM 0 HG23 THR A 49 108.298 -7.144 -7.804 1.00 0.17 H new ATOM 784 N LYS A 50 109.768 -9.535 -11.618 1.00 0.17 N ATOM 785 CA LYS A 50 110.576 -10.105 -12.749 1.00 0.21 C ATOM 786 C LYS A 50 109.778 -10.069 -14.059 1.00 0.21 C ATOM 787 O LYS A 50 110.349 -10.041 -15.134 1.00 0.23 O ATOM 788 CB LYS A 50 110.887 -11.558 -12.353 1.00 0.23 C ATOM 789 CG LYS A 50 111.752 -11.597 -11.084 1.00 1.23 C ATOM 790 CD LYS A 50 111.909 -13.047 -10.621 1.00 1.67 C ATOM 791 CE LYS A 50 112.639 -13.076 -9.276 1.00 2.45 C ATOM 792 NZ LYS A 50 112.563 -14.495 -8.830 1.00 2.93 N ATOM 0 H LYS A 50 109.612 -10.170 -10.835 1.00 0.17 H new ATOM 0 HA LYS A 50 111.486 -9.529 -12.916 1.00 0.21 H new ATOM 0 HB2 LYS A 50 109.958 -12.102 -12.183 1.00 0.23 H new ATOM 0 HB3 LYS A 50 111.406 -12.060 -13.169 1.00 0.23 H new ATOM 0 HG2 LYS A 50 112.730 -11.159 -11.284 1.00 1.23 H new ATOM 0 HG3 LYS A 50 111.290 -11.000 -10.297 1.00 1.23 H new ATOM 0 HD2 LYS A 50 110.931 -13.518 -10.526 1.00 1.67 H new ATOM 0 HD3 LYS A 50 112.467 -13.619 -11.362 1.00 1.67 H new ATOM 0 HE2 LYS A 50 113.674 -12.750 -9.381 1.00 2.45 H new ATOM 0 HE3 LYS A 50 112.166 -12.409 -8.555 1.00 2.45 H new ATOM 0 HZ1 LYS A 50 113.042 -14.597 -7.913 1.00 2.93 H new ATOM 0 HZ2 LYS A 50 111.566 -14.775 -8.733 1.00 2.93 H new ATOM 0 HZ3 LYS A 50 113.027 -15.105 -9.533 1.00 2.93 H new ATOM 806 N ASP A 51 108.468 -10.069 -13.979 1.00 0.18 N ATOM 807 CA ASP A 51 107.646 -9.940 -15.224 1.00 0.20 C ATOM 808 C ASP A 51 107.359 -8.462 -15.554 1.00 0.16 C ATOM 809 O ASP A 51 106.517 -8.168 -16.383 1.00 0.17 O ATOM 810 CB ASP A 51 106.344 -10.717 -14.959 1.00 0.21 C ATOM 811 CG ASP A 51 105.589 -10.138 -13.755 1.00 0.18 C ATOM 812 OD1 ASP A 51 105.325 -8.946 -13.755 1.00 0.17 O ATOM 813 OD2 ASP A 51 105.280 -10.902 -12.856 1.00 0.23 O ATOM 0 H ASP A 51 107.936 -10.152 -13.113 1.00 0.18 H new ATOM 0 HA ASP A 51 108.175 -10.343 -16.088 1.00 0.20 H new ATOM 0 HB2 ASP A 51 105.708 -10.679 -15.843 1.00 0.21 H new ATOM 0 HB3 ASP A 51 106.574 -11.767 -14.777 1.00 0.21 H new ATOM 818 N ILE A 52 108.045 -7.532 -14.918 1.00 0.14 N ATOM 819 CA ILE A 52 107.914 -6.095 -15.328 1.00 0.12 C ATOM 820 C ILE A 52 108.720 -5.848 -16.608 1.00 0.13 C ATOM 821 O ILE A 52 109.935 -5.917 -16.608 1.00 0.15 O ATOM 822 CB ILE A 52 108.483 -5.269 -14.159 1.00 0.13 C ATOM 823 CG1 ILE A 52 107.603 -5.470 -12.914 1.00 0.14 C ATOM 824 CG2 ILE A 52 108.517 -3.774 -14.534 1.00 0.13 C ATOM 825 CD1 ILE A 52 108.254 -4.791 -11.703 1.00 0.16 C ATOM 0 H ILE A 52 108.683 -7.707 -14.141 1.00 0.14 H new ATOM 0 HA ILE A 52 106.880 -5.821 -15.535 1.00 0.12 H new ATOM 0 HB ILE A 52 109.498 -5.603 -13.946 1.00 0.13 H new ATOM 0 HG12 ILE A 52 106.611 -5.052 -13.087 1.00 0.14 H new ATOM 0 HG13 ILE A 52 107.471 -6.534 -12.719 1.00 0.14 H new ATOM 0 HG21 ILE A 52 108.921 -3.199 -13.701 1.00 0.13 H new ATOM 0 HG22 ILE A 52 109.148 -3.633 -15.412 1.00 0.13 H new ATOM 0 HG23 ILE A 52 107.506 -3.431 -14.755 1.00 0.13 H new ATOM 0 HD11 ILE A 52 107.627 -4.936 -10.824 1.00 0.16 H new ATOM 0 HD12 ILE A 52 109.236 -5.229 -11.525 1.00 0.16 H new ATOM 0 HD13 ILE A 52 108.363 -3.724 -11.899 1.00 0.16 H new ATOM 837 N LYS A 53 108.045 -5.562 -17.694 1.00 0.12 N ATOM 838 CA LYS A 53 108.764 -5.135 -18.933 1.00 0.15 C ATOM 839 C LYS A 53 109.148 -3.656 -18.833 1.00 0.14 C ATOM 840 O LYS A 53 110.228 -3.262 -19.236 1.00 0.17 O ATOM 841 CB LYS A 53 107.777 -5.362 -20.081 1.00 0.16 C ATOM 842 CG LYS A 53 108.461 -5.076 -21.422 1.00 0.22 C ATOM 843 CD LYS A 53 109.472 -6.184 -21.730 1.00 1.03 C ATOM 844 CE LYS A 53 110.088 -5.945 -23.110 1.00 1.18 C ATOM 845 NZ LYS A 53 111.167 -6.965 -23.231 1.00 1.92 N ATOM 0 H LYS A 53 107.029 -5.606 -17.776 1.00 0.12 H new ATOM 0 HA LYS A 53 109.686 -5.696 -19.085 1.00 0.15 H new ATOM 0 HB2 LYS A 53 107.412 -6.389 -20.061 1.00 0.16 H new ATOM 0 HB3 LYS A 53 106.910 -4.713 -19.960 1.00 0.16 H new ATOM 0 HG2 LYS A 53 107.717 -5.018 -22.216 1.00 0.22 H new ATOM 0 HG3 LYS A 53 108.965 -4.110 -21.386 1.00 0.22 H new ATOM 0 HD2 LYS A 53 110.253 -6.200 -20.970 1.00 1.03 H new ATOM 0 HD3 LYS A 53 108.981 -7.157 -21.703 1.00 1.03 H new ATOM 0 HE2 LYS A 53 109.345 -6.060 -23.899 1.00 1.18 H new ATOM 0 HE3 LYS A 53 110.488 -4.935 -23.194 1.00 1.18 H new ATOM 0 HZ1 LYS A 53 111.637 -6.865 -24.153 1.00 1.92 H new ATOM 0 HZ2 LYS A 53 111.863 -6.826 -22.471 1.00 1.92 H new ATOM 0 HZ3 LYS A 53 110.755 -7.917 -23.154 1.00 1.92 H new ATOM 859 N ASP A 54 108.271 -2.838 -18.298 1.00 0.13 N ATOM 860 CA ASP A 54 108.545 -1.359 -18.265 1.00 0.14 C ATOM 861 C ASP A 54 107.800 -0.692 -17.105 1.00 0.13 C ATOM 862 O ASP A 54 106.738 -1.130 -16.711 1.00 0.14 O ATOM 863 CB ASP A 54 108.028 -0.812 -19.599 1.00 0.15 C ATOM 864 CG ASP A 54 108.938 -1.279 -20.739 1.00 0.17 C ATOM 865 OD1 ASP A 54 110.141 -1.119 -20.614 1.00 0.66 O ATOM 866 OD2 ASP A 54 108.415 -1.787 -21.717 1.00 0.62 O ATOM 0 H ASP A 54 107.383 -3.125 -17.885 1.00 0.13 H new ATOM 0 HA ASP A 54 109.607 -1.158 -18.122 1.00 0.14 H new ATOM 0 HB2 ASP A 54 107.008 -1.155 -19.772 1.00 0.15 H new ATOM 0 HB3 ASP A 54 107.998 0.277 -19.569 1.00 0.15 H new ATOM 871 N LEU A 55 108.354 0.369 -16.564 1.00 0.16 N ATOM 872 CA LEU A 55 107.726 1.033 -15.378 1.00 0.15 C ATOM 873 C LEU A 55 107.554 2.537 -15.618 1.00 0.16 C ATOM 874 O LEU A 55 108.378 3.172 -16.250 1.00 0.18 O ATOM 875 CB LEU A 55 108.707 0.803 -14.226 1.00 0.16 C ATOM 876 CG LEU A 55 108.591 -0.639 -13.729 1.00 0.18 C ATOM 877 CD1 LEU A 55 109.907 -1.063 -13.075 1.00 0.21 C ATOM 878 CD2 LEU A 55 107.461 -0.734 -12.701 1.00 0.21 C ATOM 0 H LEU A 55 109.216 0.804 -16.894 1.00 0.16 H new ATOM 0 HA LEU A 55 106.735 0.628 -15.173 1.00 0.15 H new ATOM 0 HB2 LEU A 55 109.726 1.002 -14.558 1.00 0.16 H new ATOM 0 HB3 LEU A 55 108.496 1.496 -13.412 1.00 0.16 H new ATOM 0 HG LEU A 55 108.376 -1.296 -14.572 1.00 0.18 H new ATOM 0 HD11 LEU A 55 109.823 -2.091 -12.721 1.00 0.21 H new ATOM 0 HD12 LEU A 55 110.714 -0.995 -13.804 1.00 0.21 H new ATOM 0 HD13 LEU A 55 110.123 -0.406 -12.233 1.00 0.21 H new ATOM 0 HD21 LEU A 55 107.377 -1.761 -12.346 1.00 0.21 H new ATOM 0 HD22 LEU A 55 107.678 -0.076 -11.860 1.00 0.21 H new ATOM 0 HD23 LEU A 55 106.521 -0.433 -13.164 1.00 0.21 H new ATOM 890 N ARG A 56 106.483 3.104 -15.116 1.00 0.16 N ATOM 891 CA ARG A 56 106.322 4.590 -15.140 1.00 0.17 C ATOM 892 C ARG A 56 105.548 5.050 -13.896 1.00 0.18 C ATOM 893 O ARG A 56 104.846 4.273 -13.276 1.00 0.16 O ATOM 894 CB ARG A 56 105.541 4.898 -16.428 1.00 0.17 C ATOM 895 CG ARG A 56 104.135 4.284 -16.366 1.00 0.18 C ATOM 896 CD ARG A 56 103.344 4.663 -17.622 1.00 0.35 C ATOM 897 NE ARG A 56 103.951 3.859 -18.730 1.00 0.88 N ATOM 898 CZ ARG A 56 104.902 4.343 -19.510 1.00 1.05 C ATOM 899 NH1 ARG A 56 105.401 5.548 -19.337 1.00 1.20 N ATOM 900 NH2 ARG A 56 105.368 3.599 -20.476 1.00 1.47 N ATOM 0 H ARG A 56 105.709 2.596 -14.688 1.00 0.16 H new ATOM 0 HA ARG A 56 107.278 5.113 -15.128 1.00 0.17 H new ATOM 0 HB2 ARG A 56 105.467 5.977 -16.566 1.00 0.17 H new ATOM 0 HB3 ARG A 56 106.079 4.503 -17.290 1.00 0.17 H new ATOM 0 HG2 ARG A 56 104.206 3.199 -16.284 1.00 0.18 H new ATOM 0 HG3 ARG A 56 103.613 4.638 -15.477 1.00 0.18 H new ATOM 0 HD2 ARG A 56 102.285 4.433 -17.504 1.00 0.35 H new ATOM 0 HD3 ARG A 56 103.418 5.731 -17.826 1.00 0.35 H new ATOM 0 HE ARG A 56 103.620 2.907 -18.888 1.00 0.88 H new ATOM 0 HH11 ARG A 56 105.054 6.140 -18.582 1.00 1.20 H new ATOM 0 HH12 ARG A 56 106.135 5.890 -19.958 1.00 1.20 H new ATOM 0 HH21 ARG A 56 104.998 2.659 -20.620 1.00 1.47 H new ATOM 0 HH22 ARG A 56 106.102 3.957 -21.087 1.00 1.47 H new ATOM 914 N ILE A 57 105.673 6.302 -13.534 1.00 0.21 N ATOM 915 CA ILE A 57 104.891 6.833 -12.371 1.00 0.22 C ATOM 916 C ILE A 57 103.875 7.867 -12.872 1.00 0.27 C ATOM 917 O ILE A 57 104.216 8.776 -13.607 1.00 0.32 O ATOM 918 CB ILE A 57 105.925 7.486 -11.438 1.00 0.27 C ATOM 919 CG1 ILE A 57 106.971 6.448 -11.005 1.00 0.26 C ATOM 920 CG2 ILE A 57 105.218 8.028 -10.192 1.00 0.29 C ATOM 921 CD1 ILE A 57 108.193 7.160 -10.419 1.00 0.34 C ATOM 0 H ILE A 57 106.282 6.980 -13.992 1.00 0.21 H new ATOM 0 HA ILE A 57 104.334 6.053 -11.851 1.00 0.22 H new ATOM 0 HB ILE A 57 106.418 8.299 -11.971 1.00 0.27 H new ATOM 0 HG12 ILE A 57 106.542 5.772 -10.265 1.00 0.26 H new ATOM 0 HG13 ILE A 57 107.268 5.839 -11.859 1.00 0.26 H new ATOM 0 HG21 ILE A 57 105.950 8.491 -9.531 1.00 0.29 H new ATOM 0 HG22 ILE A 57 104.477 8.770 -10.488 1.00 0.29 H new ATOM 0 HG23 ILE A 57 104.723 7.209 -9.669 1.00 0.29 H new ATOM 0 HD11 ILE A 57 108.933 6.420 -10.113 1.00 0.34 H new ATOM 0 HD12 ILE A 57 108.627 7.817 -11.172 1.00 0.34 H new ATOM 0 HD13 ILE A 57 107.890 7.750 -9.554 1.00 0.34 H new ATOM 933 N LEU A 58 102.631 7.733 -12.477 1.00 0.27 N ATOM 934 CA LEU A 58 101.573 8.659 -12.992 1.00 0.35 C ATOM 935 C LEU A 58 101.504 9.919 -12.112 1.00 0.44 C ATOM 936 O LEU A 58 101.745 9.841 -10.922 1.00 0.47 O ATOM 937 CB LEU A 58 100.258 7.874 -12.907 1.00 0.37 C ATOM 938 CG LEU A 58 100.341 6.608 -13.771 1.00 0.40 C ATOM 939 CD1 LEU A 58 99.133 5.715 -13.485 1.00 0.52 C ATOM 940 CD2 LEU A 58 100.349 6.991 -15.252 1.00 0.48 C ATOM 0 H LEU A 58 102.303 7.024 -11.821 1.00 0.27 H new ATOM 0 HA LEU A 58 101.778 8.986 -14.011 1.00 0.35 H new ATOM 0 HB2 LEU A 58 100.053 7.604 -11.871 1.00 0.37 H new ATOM 0 HB3 LEU A 58 99.430 8.499 -13.243 1.00 0.37 H new ATOM 0 HG LEU A 58 101.259 6.071 -13.532 1.00 0.40 H new ATOM 0 HD11 LEU A 58 99.192 4.816 -14.098 1.00 0.52 H new ATOM 0 HD12 LEU A 58 99.128 5.436 -12.431 1.00 0.52 H new ATOM 0 HD13 LEU A 58 98.217 6.256 -13.721 1.00 0.52 H new ATOM 0 HD21 LEU A 58 100.408 6.089 -15.861 1.00 0.48 H new ATOM 0 HD22 LEU A 58 99.434 7.532 -15.493 1.00 0.48 H new ATOM 0 HD23 LEU A 58 101.211 7.625 -15.459 1.00 0.48 H new