USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 366 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 33 ASN : amide:sc= 1.07 K(o=2.2,f=-4.4) USER MOD Set 1.2: A 36 LYS NZ :NH3+ 175:sc= 1.14 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -155:sc= -0.309 (180deg=-1.18!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= -0.0623 (180deg=-0.219) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -9.17! C(o=-9.2!,f=-16!) USER MOD Single : A 26 SER OG : rot 75:sc= 1.12 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -5.57! C(o=-5.6!,f=-7.8!) USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.114) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -32.573 6.559 -0.235 1.00 0.00 N ATOM 2 CA ALA A 1 -31.157 6.323 0.152 1.00 0.00 C ATOM 3 C ALA A 1 -30.907 4.848 0.445 1.00 0.00 C ATOM 4 O ALA A 1 -30.715 4.457 1.597 1.00 0.00 O ATOM 5 CB ALA A 1 -30.795 7.170 1.362 1.00 0.00 C ATOM 0 H1 ALA A 1 -32.716 7.571 -0.429 1.00 0.00 H new ATOM 0 H2 ALA A 1 -32.796 6.008 -1.088 1.00 0.00 H new ATOM 0 H3 ALA A 1 -33.199 6.264 0.541 1.00 0.00 H new ATOM 0 HA ALA A 1 -30.523 6.613 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -29.756 6.988 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -30.928 8.225 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -31.442 6.905 2.198 1.00 0.00 H new ATOM 13 N LYS A 2 -30.907 4.033 -0.605 1.00 0.00 N ATOM 14 CA LYS A 2 -30.677 2.600 -0.464 1.00 0.00 C ATOM 15 C LYS A 2 -29.353 2.199 -1.102 1.00 0.00 C ATOM 16 O LYS A 2 -28.757 1.185 -0.739 1.00 0.00 O ATOM 17 CB LYS A 2 -31.820 1.812 -1.108 1.00 0.00 C ATOM 18 CG LYS A 2 -33.149 2.549 -1.099 1.00 0.00 C ATOM 19 CD LYS A 2 -33.420 3.226 -2.433 1.00 0.00 C ATOM 20 CE LYS A 2 -33.488 2.215 -3.567 1.00 0.00 C ATOM 21 NZ LYS A 2 -34.125 2.787 -4.786 1.00 0.00 N ATOM 0 H LYS A 2 -31.064 4.341 -1.564 1.00 0.00 H new ATOM 0 HA LYS A 2 -30.637 2.367 0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -31.552 1.576 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -31.937 0.864 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -33.953 1.848 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -33.147 3.296 -0.305 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -34.359 3.777 -2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -32.635 3.953 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -32.482 1.874 -3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -34.051 1.341 -3.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -34.152 2.066 -5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -35.095 3.089 -4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -33.574 3.606 -5.114 1.00 0.00 H new ATOM 35 N ILE A 3 -28.900 3.000 -2.060 1.00 0.00 N ATOM 36 CA ILE A 3 -27.649 2.729 -2.755 1.00 0.00 C ATOM 37 C ILE A 3 -26.458 3.317 -2.007 1.00 0.00 C ATOM 38 O ILE A 3 -25.423 2.666 -1.859 1.00 0.00 O ATOM 39 CB ILE A 3 -27.673 3.294 -4.188 1.00 0.00 C ATOM 40 CG1 ILE A 3 -28.979 2.913 -4.888 1.00 0.00 C ATOM 41 CG2 ILE A 3 -26.477 2.790 -4.979 1.00 0.00 C ATOM 42 CD1 ILE A 3 -29.928 4.076 -5.075 1.00 0.00 C ATOM 0 H ILE A 3 -29.382 3.843 -2.373 1.00 0.00 H new ATOM 0 HA ILE A 3 -27.541 1.645 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 3 -27.614 4.381 -4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -28.747 2.484 -5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -29.479 2.137 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -26.510 3.199 -5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -25.557 3.108 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -26.505 1.701 -5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -30.832 3.731 -5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -30.190 4.492 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -29.447 4.844 -5.680 1.00 0.00 H new ATOM 54 N PRO A 4 -26.587 4.564 -1.531 1.00 0.00 N ATOM 55 CA PRO A 4 -25.517 5.248 -0.799 1.00 0.00 C ATOM 56 C PRO A 4 -24.909 4.381 0.298 1.00 0.00 C ATOM 57 O PRO A 4 -23.716 4.475 0.585 1.00 0.00 O ATOM 58 CB PRO A 4 -26.226 6.463 -0.201 1.00 0.00 C ATOM 59 CG PRO A 4 -27.336 6.748 -1.152 1.00 0.00 C ATOM 60 CD PRO A 4 -27.788 5.409 -1.673 1.00 0.00 C ATOM 0 HA PRO A 4 -24.677 5.502 -1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -26.604 6.250 0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -25.550 7.314 -0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -28.153 7.269 -0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -26.998 7.390 -1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -28.626 5.016 -1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -28.115 5.471 -2.711 1.00 0.00 H new ATOM 68 N ILE A 5 -25.732 3.535 0.906 1.00 0.00 N ATOM 69 CA ILE A 5 -25.263 2.652 1.966 1.00 0.00 C ATOM 70 C ILE A 5 -24.400 1.536 1.397 1.00 0.00 C ATOM 71 O ILE A 5 -23.306 1.267 1.892 1.00 0.00 O ATOM 72 CB ILE A 5 -26.435 2.031 2.748 1.00 0.00 C ATOM 73 CG1 ILE A 5 -25.910 1.252 3.955 1.00 0.00 C ATOM 74 CG2 ILE A 5 -27.254 1.124 1.842 1.00 0.00 C ATOM 75 CD1 ILE A 5 -25.232 -0.049 3.584 1.00 0.00 C ATOM 0 H ILE A 5 -26.723 3.442 0.684 1.00 0.00 H new ATOM 0 HA ILE A 5 -24.671 3.262 2.648 1.00 0.00 H new ATOM 0 HB ILE A 5 -27.081 2.832 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -25.205 1.877 4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -26.739 1.041 4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -28.079 0.692 2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -27.651 1.704 1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -26.620 0.325 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -24.884 -0.549 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -25.941 -0.693 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -24.382 0.156 2.933 1.00 0.00 H new ATOM 87 N LYS A 6 -24.897 0.896 0.348 1.00 0.00 N ATOM 88 CA LYS A 6 -24.169 -0.185 -0.299 1.00 0.00 C ATOM 89 C LYS A 6 -22.975 0.371 -1.065 1.00 0.00 C ATOM 90 O LYS A 6 -22.040 -0.358 -1.397 1.00 0.00 O ATOM 91 CB LYS A 6 -25.090 -0.958 -1.245 1.00 0.00 C ATOM 92 CG LYS A 6 -24.878 -2.464 -1.208 1.00 0.00 C ATOM 93 CD LYS A 6 -25.394 -3.067 0.089 1.00 0.00 C ATOM 94 CE LYS A 6 -25.545 -4.576 -0.020 1.00 0.00 C ATOM 95 NZ LYS A 6 -26.313 -4.972 -1.232 1.00 0.00 N ATOM 0 H LYS A 6 -25.802 1.107 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 6 -23.807 -0.869 0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -26.127 -0.739 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -24.932 -0.602 -2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -25.388 -2.925 -2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -23.816 -2.686 -1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -24.708 -2.827 0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -26.356 -2.621 0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -24.558 -5.038 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -26.049 -4.955 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -26.755 -5.900 -1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -27.051 -4.264 -1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -25.670 -5.028 -2.047 1.00 0.00 H new ATOM 109 N ALA A 7 -23.014 1.674 -1.337 1.00 0.00 N ATOM 110 CA ALA A 7 -21.936 2.337 -2.057 1.00 0.00 C ATOM 111 C ALA A 7 -20.755 2.609 -1.135 1.00 0.00 C ATOM 112 O ALA A 7 -19.598 2.451 -1.529 1.00 0.00 O ATOM 113 CB ALA A 7 -22.435 3.633 -2.680 1.00 0.00 C ATOM 0 H ALA A 7 -23.782 2.289 -1.068 1.00 0.00 H new ATOM 0 HA ALA A 7 -21.598 1.674 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -21.618 4.118 -3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -23.245 3.414 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -22.800 4.297 -1.896 1.00 0.00 H new ATOM 119 N ILE A 8 -21.052 3.011 0.096 1.00 0.00 N ATOM 120 CA ILE A 8 -20.011 3.294 1.075 1.00 0.00 C ATOM 121 C ILE A 8 -19.287 2.012 1.464 1.00 0.00 C ATOM 122 O ILE A 8 -18.074 2.008 1.677 1.00 0.00 O ATOM 123 CB ILE A 8 -20.584 3.957 2.342 1.00 0.00 C ATOM 124 CG1 ILE A 8 -19.536 3.976 3.455 1.00 0.00 C ATOM 125 CG2 ILE A 8 -21.836 3.228 2.802 1.00 0.00 C ATOM 126 CD1 ILE A 8 -19.431 2.668 4.211 1.00 0.00 C ATOM 0 H ILE A 8 -22.003 3.148 0.438 1.00 0.00 H new ATOM 0 HA ILE A 8 -19.311 3.988 0.610 1.00 0.00 H new ATOM 0 HB ILE A 8 -20.852 4.986 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -18.564 4.216 3.024 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -19.778 4.774 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -22.228 3.709 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -22.587 3.262 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -21.591 2.190 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -18.668 2.755 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -20.391 2.436 4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -19.158 1.870 3.521 1.00 0.00 H new ATOM 138 N LYS A 9 -20.044 0.924 1.545 1.00 0.00 N ATOM 139 CA LYS A 9 -19.483 -0.373 1.896 1.00 0.00 C ATOM 140 C LYS A 9 -18.492 -0.829 0.833 1.00 0.00 C ATOM 141 O LYS A 9 -17.396 -1.294 1.148 1.00 0.00 O ATOM 142 CB LYS A 9 -20.595 -1.411 2.053 1.00 0.00 C ATOM 143 CG LYS A 9 -21.622 -1.050 3.113 1.00 0.00 C ATOM 144 CD LYS A 9 -21.197 -1.541 4.488 1.00 0.00 C ATOM 145 CE LYS A 9 -22.045 -0.920 5.587 1.00 0.00 C ATOM 146 NZ LYS A 9 -21.270 -0.724 6.843 1.00 0.00 N ATOM 0 H LYS A 9 -21.049 0.915 1.372 1.00 0.00 H new ATOM 0 HA LYS A 9 -18.958 -0.274 2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -21.102 -1.535 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -20.149 -2.373 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -21.757 0.031 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -22.586 -1.486 2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -21.282 -2.627 4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -20.148 -1.297 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -22.434 0.040 5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -22.905 -1.559 5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -21.884 -0.299 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.920 -1.643 7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -20.464 -0.093 6.659 1.00 0.00 H new ATOM 160 N THR A 10 -18.883 -0.683 -0.428 1.00 0.00 N ATOM 161 CA THR A 10 -18.025 -1.073 -1.540 1.00 0.00 C ATOM 162 C THR A 10 -16.681 -0.363 -1.446 1.00 0.00 C ATOM 163 O THR A 10 -15.635 -0.954 -1.715 1.00 0.00 O ATOM 164 CB THR A 10 -18.697 -0.755 -2.875 1.00 0.00 C ATOM 165 OG1 THR A 10 -20.014 -1.276 -2.910 1.00 0.00 O ATOM 166 CG2 THR A 10 -17.952 -1.314 -4.068 1.00 0.00 C ATOM 0 H THR A 10 -19.786 -0.298 -0.705 1.00 0.00 H new ATOM 0 HA THR A 10 -17.858 -2.149 -1.484 1.00 0.00 H new ATOM 0 HB THR A 10 -18.700 0.333 -2.945 1.00 0.00 H new ATOM 0 HG1 THR A 10 -20.617 -0.674 -2.426 1.00 0.00 H new ATOM 0 HG21 THR A 10 -18.483 -1.052 -4.984 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.947 -0.894 -4.099 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.890 -2.399 -3.982 1.00 0.00 H new ATOM 174 N VAL A 11 -16.716 0.906 -1.051 1.00 0.00 N ATOM 175 CA VAL A 11 -15.496 1.688 -0.907 1.00 0.00 C ATOM 176 C VAL A 11 -14.582 1.054 0.132 1.00 0.00 C ATOM 177 O VAL A 11 -13.395 0.839 -0.115 1.00 0.00 O ATOM 178 CB VAL A 11 -15.795 3.145 -0.502 1.00 0.00 C ATOM 179 CG1 VAL A 11 -14.528 3.844 -0.034 1.00 0.00 C ATOM 180 CG2 VAL A 11 -16.429 3.902 -1.660 1.00 0.00 C ATOM 0 H VAL A 11 -17.573 1.412 -0.826 1.00 0.00 H new ATOM 0 HA VAL A 11 -15.001 1.698 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 11 -16.502 3.131 0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.762 4.871 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.118 3.316 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.795 3.846 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.633 4.929 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -15.747 3.904 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.362 3.416 -1.945 1.00 0.00 H new ATOM 190 N GLY A 12 -15.148 0.745 1.292 1.00 0.00 N ATOM 191 CA GLY A 12 -14.372 0.124 2.346 1.00 0.00 C ATOM 192 C GLY A 12 -13.591 -1.067 1.834 1.00 0.00 C ATOM 193 O GLY A 12 -12.476 -1.331 2.285 1.00 0.00 O ATOM 0 H GLY A 12 -16.128 0.913 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.685 0.855 2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.037 -0.194 3.149 1.00 0.00 H new ATOM 197 N LYS A 13 -14.178 -1.781 0.878 1.00 0.00 N ATOM 198 CA LYS A 13 -13.530 -2.945 0.289 1.00 0.00 C ATOM 199 C LYS A 13 -12.343 -2.516 -0.565 1.00 0.00 C ATOM 200 O LYS A 13 -11.292 -3.157 -0.553 1.00 0.00 O ATOM 201 CB LYS A 13 -14.526 -3.739 -0.559 1.00 0.00 C ATOM 202 CG LYS A 13 -15.878 -3.930 0.108 1.00 0.00 C ATOM 203 CD LYS A 13 -15.735 -4.501 1.511 1.00 0.00 C ATOM 204 CE LYS A 13 -15.989 -6.000 1.530 1.00 0.00 C ATOM 205 NZ LYS A 13 -15.061 -6.731 0.625 1.00 0.00 N ATOM 0 H LYS A 13 -15.101 -1.573 0.496 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.170 -3.583 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.669 -3.227 -1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.100 -4.717 -0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.399 -2.974 0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.491 -4.598 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.733 -4.296 1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.436 -4.003 2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.875 -6.375 2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.018 -6.198 1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.149 -7.754 0.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.301 -6.518 -0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.083 -6.432 0.816 1.00 0.00 H new ATOM 219 N ALA A 14 -12.514 -1.418 -1.297 1.00 0.00 N ATOM 220 CA ALA A 14 -11.451 -0.896 -2.146 1.00 0.00 C ATOM 221 C ALA A 14 -10.279 -0.427 -1.297 1.00 0.00 C ATOM 222 O ALA A 14 -9.136 -0.821 -1.523 1.00 0.00 O ATOM 223 CB ALA A 14 -11.967 0.238 -3.018 1.00 0.00 C ATOM 0 H ALA A 14 -13.377 -0.875 -1.318 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.107 -1.698 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.157 0.613 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.775 -0.129 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.339 1.043 -2.385 1.00 0.00 H new ATOM 229 N VAL A 15 -10.576 0.403 -0.305 1.00 0.00 N ATOM 230 CA VAL A 15 -9.548 0.909 0.592 1.00 0.00 C ATOM 231 C VAL A 15 -8.839 -0.251 1.279 1.00 0.00 C ATOM 232 O VAL A 15 -7.671 -0.149 1.653 1.00 0.00 O ATOM 233 CB VAL A 15 -10.140 1.845 1.663 1.00 0.00 C ATOM 234 CG1 VAL A 15 -9.034 2.599 2.386 1.00 0.00 C ATOM 235 CG2 VAL A 15 -11.132 2.814 1.037 1.00 0.00 C ATOM 0 H VAL A 15 -11.518 0.739 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.839 1.478 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.672 1.237 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.472 3.255 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.365 1.888 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.471 3.196 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.539 3.467 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.626 3.416 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.942 2.254 0.570 1.00 0.00 H new ATOM 245 N GLY A 16 -9.558 -1.362 1.428 1.00 0.00 N ATOM 246 CA GLY A 16 -8.987 -2.539 2.054 1.00 0.00 C ATOM 247 C GLY A 16 -7.941 -3.191 1.175 1.00 0.00 C ATOM 248 O GLY A 16 -6.793 -3.361 1.587 1.00 0.00 O ATOM 0 H GLY A 16 -10.527 -1.466 1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.539 -2.262 3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.779 -3.256 2.270 1.00 0.00 H new ATOM 252 N LYS A 17 -8.331 -3.542 -0.048 1.00 0.00 N ATOM 253 CA LYS A 17 -7.405 -4.158 -0.985 1.00 0.00 C ATOM 254 C LYS A 17 -6.260 -3.197 -1.276 1.00 0.00 C ATOM 255 O LYS A 17 -5.141 -3.616 -1.574 1.00 0.00 O ATOM 256 CB LYS A 17 -8.120 -4.545 -2.282 1.00 0.00 C ATOM 257 CG LYS A 17 -8.357 -3.378 -3.226 1.00 0.00 C ATOM 258 CD LYS A 17 -7.103 -3.035 -4.014 1.00 0.00 C ATOM 259 CE LYS A 17 -7.322 -3.203 -5.508 1.00 0.00 C ATOM 260 NZ LYS A 17 -7.268 -4.633 -5.920 1.00 0.00 N ATOM 0 H LYS A 17 -9.276 -3.410 -0.408 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.005 -5.068 -0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.531 -5.303 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.079 -5.000 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.165 -3.624 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.679 -2.507 -2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.808 -2.007 -3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.282 -3.675 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.289 -2.782 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.564 -2.640 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.422 -4.705 -6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.336 -5.028 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.008 -5.166 -5.421 1.00 0.00 H new ATOM 274 N GLY A 18 -6.548 -1.903 -1.166 1.00 0.00 N ATOM 275 CA GLY A 18 -5.533 -0.895 -1.396 1.00 0.00 C ATOM 276 C GLY A 18 -4.507 -0.877 -0.283 1.00 0.00 C ATOM 277 O GLY A 18 -3.350 -0.518 -0.498 1.00 0.00 O ATOM 0 H GLY A 18 -7.468 -1.536 -0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.036 -1.088 -2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.003 0.085 -1.475 1.00 0.00 H new ATOM 281 N LEU A 19 -4.935 -1.283 0.910 1.00 0.00 N ATOM 282 CA LEU A 19 -4.049 -1.333 2.064 1.00 0.00 C ATOM 283 C LEU A 19 -3.024 -2.440 1.870 1.00 0.00 C ATOM 284 O LEU A 19 -1.822 -2.231 2.035 1.00 0.00 O ATOM 285 CB LEU A 19 -4.854 -1.557 3.353 1.00 0.00 C ATOM 286 CG LEU A 19 -4.716 -2.944 3.993 1.00 0.00 C ATOM 287 CD1 LEU A 19 -3.322 -3.128 4.576 1.00 0.00 C ATOM 288 CD2 LEU A 19 -5.774 -3.142 5.067 1.00 0.00 C ATOM 0 H LEU A 19 -5.892 -1.582 1.100 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.528 -0.380 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.549 -0.808 4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.908 -1.381 3.136 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.866 -3.697 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.243 -4.118 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.580 -3.029 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.143 -2.369 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.661 -4.131 5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.655 -2.382 5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.765 -3.055 4.622 1.00 0.00 H new ATOM 300 N ARG A 20 -3.516 -3.615 1.500 1.00 0.00 N ATOM 301 CA ARG A 20 -2.652 -4.758 1.259 1.00 0.00 C ATOM 302 C ARG A 20 -1.502 -4.341 0.355 1.00 0.00 C ATOM 303 O ARG A 20 -0.332 -4.469 0.715 1.00 0.00 O ATOM 304 CB ARG A 20 -3.455 -5.906 0.629 1.00 0.00 C ATOM 305 CG ARG A 20 -2.685 -6.720 -0.404 1.00 0.00 C ATOM 306 CD ARG A 20 -1.387 -7.268 0.169 1.00 0.00 C ATOM 307 NE ARG A 20 -1.564 -7.788 1.522 1.00 0.00 N ATOM 308 CZ ARG A 20 -1.887 -9.048 1.795 1.00 0.00 C ATOM 309 NH1 ARG A 20 -2.058 -9.923 0.813 1.00 0.00 N ATOM 310 NH2 ARG A 20 -2.038 -9.436 3.053 1.00 0.00 N ATOM 0 H ARG A 20 -4.509 -3.799 1.361 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.244 -5.112 2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.793 -6.574 1.421 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.347 -5.493 0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.306 -7.545 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.466 -6.096 -1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.011 -8.061 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.634 -6.480 0.179 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.432 -7.146 2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.942 -9.630 -0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.306 -10.889 1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.906 -8.768 3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.286 -10.403 3.262 1.00 0.00 H new ATOM 324 N ALA A 21 -1.847 -3.831 -0.818 1.00 0.00 N ATOM 325 CA ALA A 21 -0.848 -3.383 -1.775 1.00 0.00 C ATOM 326 C ALA A 21 0.151 -2.450 -1.108 1.00 0.00 C ATOM 327 O ALA A 21 1.344 -2.485 -1.404 1.00 0.00 O ATOM 328 CB ALA A 21 -1.520 -2.692 -2.950 1.00 0.00 C ATOM 0 H ALA A 21 -2.812 -3.717 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.307 -4.254 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.762 -2.361 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.198 -3.389 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.083 -1.830 -2.592 1.00 0.00 H new ATOM 334 N ILE A 22 -0.342 -1.628 -0.192 1.00 0.00 N ATOM 335 CA ILE A 22 0.511 -0.703 0.533 1.00 0.00 C ATOM 336 C ILE A 22 1.416 -1.469 1.485 1.00 0.00 C ATOM 337 O ILE A 22 2.399 -0.934 1.998 1.00 0.00 O ATOM 338 CB ILE A 22 -0.320 0.320 1.331 1.00 0.00 C ATOM 339 CG1 ILE A 22 -1.012 1.299 0.382 1.00 0.00 C ATOM 340 CG2 ILE A 22 0.562 1.065 2.320 1.00 0.00 C ATOM 341 CD1 ILE A 22 -2.263 1.922 0.962 1.00 0.00 C ATOM 0 H ILE A 22 -1.328 -1.584 0.065 1.00 0.00 H new ATOM 0 HA ILE A 22 1.113 -0.163 -0.198 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.086 -0.216 1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.312 2.091 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.269 0.778 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.041 1.784 2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.011 0.355 3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.349 1.592 1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.701 2.605 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.982 1.139 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.009 2.472 1.868 1.00 0.00 H new ATOM 353 N ASN A 23 1.074 -2.732 1.713 1.00 0.00 N ATOM 354 CA ASN A 23 1.845 -3.588 2.595 1.00 0.00 C ATOM 355 C ASN A 23 3.084 -4.102 1.884 1.00 0.00 C ATOM 356 O ASN A 23 4.211 -3.782 2.262 1.00 0.00 O ATOM 357 CB ASN A 23 0.964 -4.738 3.096 1.00 0.00 C ATOM 358 CG ASN A 23 1.365 -6.112 2.586 1.00 0.00 C ATOM 359 OD1 ASN A 23 0.657 -6.723 1.787 1.00 0.00 O ATOM 360 ND2 ASN A 23 2.507 -6.603 3.049 1.00 0.00 N ATOM 0 H ASN A 23 0.261 -3.184 1.294 1.00 0.00 H new ATOM 0 HA ASN A 23 2.179 -3.013 3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.988 -4.748 4.186 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.067 -4.543 2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.829 -7.521 2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.064 -6.062 3.711 1.00 0.00 H new ATOM 367 N ILE A 24 2.866 -4.880 0.836 1.00 0.00 N ATOM 368 CA ILE A 24 3.970 -5.408 0.063 1.00 0.00 C ATOM 369 C ILE A 24 4.745 -4.243 -0.522 1.00 0.00 C ATOM 370 O ILE A 24 5.931 -4.354 -0.838 1.00 0.00 O ATOM 371 CB ILE A 24 3.494 -6.378 -1.045 1.00 0.00 C ATOM 372 CG1 ILE A 24 3.190 -5.645 -2.356 1.00 0.00 C ATOM 373 CG2 ILE A 24 2.266 -7.146 -0.577 1.00 0.00 C ATOM 374 CD1 ILE A 24 1.900 -4.861 -2.319 1.00 0.00 C ATOM 0 H ILE A 24 1.941 -5.156 0.506 1.00 0.00 H new ATOM 0 HA ILE A 24 4.616 -5.992 0.718 1.00 0.00 H new ATOM 0 HB ILE A 24 4.307 -7.078 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.012 -4.967 -2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.142 -6.371 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.940 -7.825 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.514 -7.719 0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.464 -6.445 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.747 -4.367 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.068 -5.538 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.952 -4.111 -1.530 1.00 0.00 H new ATOM 386 N ALA A 25 4.060 -3.106 -0.625 1.00 0.00 N ATOM 387 CA ALA A 25 4.668 -1.895 -1.127 1.00 0.00 C ATOM 388 C ALA A 25 5.387 -1.178 0.007 1.00 0.00 C ATOM 389 O ALA A 25 6.334 -0.425 -0.219 1.00 0.00 O ATOM 390 CB ALA A 25 3.620 -0.987 -1.754 1.00 0.00 C ATOM 0 H ALA A 25 3.079 -3.007 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 25 5.391 -2.156 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.099 -0.081 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.136 -1.507 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.873 -0.722 -1.005 1.00 0.00 H new ATOM 396 N SER A 26 4.933 -1.432 1.237 1.00 0.00 N ATOM 397 CA SER A 26 5.541 -0.819 2.413 1.00 0.00 C ATOM 398 C SER A 26 6.864 -1.496 2.740 1.00 0.00 C ATOM 399 O SER A 26 7.762 -0.885 3.320 1.00 0.00 O ATOM 400 CB SER A 26 4.596 -0.903 3.614 1.00 0.00 C ATOM 401 OG SER A 26 3.825 0.279 3.741 1.00 0.00 O ATOM 0 H SER A 26 4.151 -2.055 1.440 1.00 0.00 H new ATOM 0 HA SER A 26 5.729 0.232 2.192 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.934 -1.762 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.174 -1.064 4.524 1.00 0.00 H new ATOM 0 HG SER A 26 3.123 0.287 3.057 1.00 0.00 H new ATOM 407 N THR A 27 6.982 -2.760 2.350 1.00 0.00 N ATOM 408 CA THR A 27 8.200 -3.520 2.584 1.00 0.00 C ATOM 409 C THR A 27 9.159 -3.326 1.417 1.00 0.00 C ATOM 410 O THR A 27 10.375 -3.446 1.566 1.00 0.00 O ATOM 411 CB THR A 27 7.876 -5.005 2.760 1.00 0.00 C ATOM 412 OG1 THR A 27 7.282 -5.242 4.024 1.00 0.00 O ATOM 413 CG2 THR A 27 9.090 -5.902 2.649 1.00 0.00 C ATOM 0 H THR A 27 6.247 -3.279 1.870 1.00 0.00 H new ATOM 0 HA THR A 27 8.672 -3.159 3.498 1.00 0.00 H new ATOM 0 HB THR A 27 7.190 -5.248 1.948 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.081 -6.197 4.117 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.788 -6.941 2.784 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.543 -5.780 1.665 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.814 -5.632 3.418 1.00 0.00 H new ATOM 421 N ALA A 28 8.593 -3.017 0.255 1.00 0.00 N ATOM 422 CA ALA A 28 9.382 -2.795 -0.947 1.00 0.00 C ATOM 423 C ALA A 28 10.055 -1.427 -0.915 1.00 0.00 C ATOM 424 O ALA A 28 11.124 -1.240 -1.496 1.00 0.00 O ATOM 425 CB ALA A 28 8.505 -2.926 -2.183 1.00 0.00 C ATOM 0 H ALA A 28 7.587 -2.915 0.122 1.00 0.00 H new ATOM 0 HA ALA A 28 10.163 -3.554 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.107 -2.758 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.074 -3.927 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.704 -2.188 -2.141 1.00 0.00 H new ATOM 431 N ASN A 29 9.429 -0.469 -0.231 1.00 0.00 N ATOM 432 CA ASN A 29 9.990 0.874 -0.135 1.00 0.00 C ATOM 433 C ASN A 29 11.225 0.872 0.759 1.00 0.00 C ATOM 434 O ASN A 29 12.247 1.475 0.428 1.00 0.00 O ATOM 435 CB ASN A 29 8.945 1.865 0.391 1.00 0.00 C ATOM 436 CG ASN A 29 8.894 1.925 1.906 1.00 0.00 C ATOM 437 OD1 ASN A 29 9.908 2.148 2.567 1.00 0.00 O ATOM 438 ND2 ASN A 29 7.703 1.737 2.463 1.00 0.00 N ATOM 0 H ASN A 29 8.544 -0.598 0.259 1.00 0.00 H new ATOM 0 HA ASN A 29 10.286 1.193 -1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.166 2.859 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.963 1.584 0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.603 1.775 3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.889 1.555 1.876 1.00 0.00 H new ATOM 445 N ASP A 30 11.129 0.175 1.884 1.00 0.00 N ATOM 446 CA ASP A 30 12.244 0.079 2.817 1.00 0.00 C ATOM 447 C ASP A 30 13.398 -0.669 2.167 1.00 0.00 C ATOM 448 O ASP A 30 14.560 -0.281 2.295 1.00 0.00 O ATOM 449 CB ASP A 30 11.808 -0.633 4.100 1.00 0.00 C ATOM 450 CG ASP A 30 12.943 -0.793 5.091 1.00 0.00 C ATOM 451 OD1 ASP A 30 13.202 0.160 5.857 1.00 0.00 O ATOM 452 OD2 ASP A 30 13.571 -1.872 5.106 1.00 0.00 O ATOM 0 H ASP A 30 10.292 -0.331 2.172 1.00 0.00 H new ATOM 0 HA ASP A 30 12.573 1.085 3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.999 -0.070 4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.409 -1.616 3.848 1.00 0.00 H new ATOM 457 N VAL A 31 13.060 -1.734 1.451 1.00 0.00 N ATOM 458 CA VAL A 31 14.051 -2.537 0.753 1.00 0.00 C ATOM 459 C VAL A 31 14.739 -1.702 -0.315 1.00 0.00 C ATOM 460 O VAL A 31 15.966 -1.679 -0.419 1.00 0.00 O ATOM 461 CB VAL A 31 13.398 -3.764 0.088 1.00 0.00 C ATOM 462 CG1 VAL A 31 14.348 -4.414 -0.905 1.00 0.00 C ATOM 463 CG2 VAL A 31 12.949 -4.761 1.141 1.00 0.00 C ATOM 0 H VAL A 31 12.101 -2.062 1.339 1.00 0.00 H new ATOM 0 HA VAL A 31 14.782 -2.879 1.486 1.00 0.00 H new ATOM 0 HB VAL A 31 12.519 -3.428 -0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.863 -5.278 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 31 14.612 -3.695 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 31 15.251 -4.736 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 31 12.490 -5.622 0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.811 -5.089 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.223 -4.289 1.803 1.00 0.00 H new ATOM 473 N PHE A 32 13.925 -1.011 -1.101 1.00 0.00 N ATOM 474 CA PHE A 32 14.422 -0.154 -2.169 1.00 0.00 C ATOM 475 C PHE A 32 15.572 0.715 -1.677 1.00 0.00 C ATOM 476 O PHE A 32 16.568 0.900 -2.375 1.00 0.00 O ATOM 477 CB PHE A 32 13.292 0.733 -2.695 1.00 0.00 C ATOM 478 CG PHE A 32 13.245 0.827 -4.192 1.00 0.00 C ATOM 479 CD1 PHE A 32 14.414 0.892 -4.931 1.00 0.00 C ATOM 480 CD2 PHE A 32 12.031 0.852 -4.858 1.00 0.00 C ATOM 481 CE1 PHE A 32 14.373 0.980 -6.310 1.00 0.00 C ATOM 482 CE2 PHE A 32 11.983 0.940 -6.236 1.00 0.00 C ATOM 483 CZ PHE A 32 13.156 1.004 -6.963 1.00 0.00 C ATOM 0 H PHE A 32 12.909 -1.028 -1.018 1.00 0.00 H new ATOM 0 HA PHE A 32 14.789 -0.790 -2.975 1.00 0.00 H new ATOM 0 HB2 PHE A 32 12.340 0.345 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 32 13.405 1.735 -2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.368 0.874 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.111 0.802 -4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 32 15.291 1.030 -6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.030 0.959 -6.744 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.122 1.073 -8.040 1.00 0.00 H new ATOM 493 N ASN A 33 15.422 1.250 -0.471 1.00 0.00 N ATOM 494 CA ASN A 33 16.445 2.105 0.119 1.00 0.00 C ATOM 495 C ASN A 33 17.532 1.276 0.796 1.00 0.00 C ATOM 496 O ASN A 33 18.699 1.668 0.820 1.00 0.00 O ATOM 497 CB ASN A 33 15.815 3.062 1.133 1.00 0.00 C ATOM 498 CG ASN A 33 15.990 4.517 0.744 1.00 0.00 C ATOM 499 OD1 ASN A 33 16.870 5.207 1.258 1.00 0.00 O ATOM 500 ND2 ASN A 33 15.148 4.991 -0.167 1.00 0.00 N ATOM 0 H ASN A 33 14.601 1.107 0.118 1.00 0.00 H new ATOM 0 HA ASN A 33 16.904 2.682 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 33 14.752 2.839 1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.263 2.895 2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.216 5.963 -0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 33 14.433 4.383 -0.567 1.00 0.00 H new ATOM 507 N PHE A 34 17.142 0.133 1.352 1.00 0.00 N ATOM 508 CA PHE A 34 18.085 -0.746 2.036 1.00 0.00 C ATOM 509 C PHE A 34 19.202 -1.199 1.100 1.00 0.00 C ATOM 510 O PHE A 34 20.239 -1.686 1.550 1.00 0.00 O ATOM 511 CB PHE A 34 17.360 -1.963 2.612 1.00 0.00 C ATOM 512 CG PHE A 34 17.428 -2.043 4.111 1.00 0.00 C ATOM 513 CD1 PHE A 34 16.562 -1.300 4.896 1.00 0.00 C ATOM 514 CD2 PHE A 34 18.361 -2.856 4.733 1.00 0.00 C ATOM 515 CE1 PHE A 34 16.624 -1.368 6.276 1.00 0.00 C ATOM 516 CE2 PHE A 34 18.429 -2.928 6.112 1.00 0.00 C ATOM 517 CZ PHE A 34 17.559 -2.183 6.884 1.00 0.00 C ATOM 0 H PHE A 34 16.180 -0.206 1.342 1.00 0.00 H new ATOM 0 HA PHE A 34 18.534 -0.179 2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 34 16.315 -1.934 2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 34 17.792 -2.869 2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 34 15.830 -0.660 4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 34 19.043 -3.441 4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 34 15.942 -0.785 6.877 1.00 0.00 H new ATOM 0 HE2 PHE A 34 19.161 -3.566 6.585 1.00 0.00 H new ATOM 0 HZ PHE A 34 17.610 -2.238 7.961 1.00 0.00 H new ATOM 527 N LEU A 35 18.986 -1.039 -0.202 1.00 0.00 N ATOM 528 CA LEU A 35 19.984 -1.437 -1.191 1.00 0.00 C ATOM 529 C LEU A 35 19.712 -0.781 -2.540 1.00 0.00 C ATOM 530 O LEU A 35 18.974 -1.319 -3.365 1.00 0.00 O ATOM 531 CB LEU A 35 19.997 -2.958 -1.348 1.00 0.00 C ATOM 532 CG LEU A 35 18.644 -3.584 -1.685 1.00 0.00 C ATOM 533 CD1 LEU A 35 18.656 -4.160 -3.092 1.00 0.00 C ATOM 534 CD2 LEU A 35 18.288 -4.659 -0.669 1.00 0.00 C ATOM 0 H LEU A 35 18.134 -0.639 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 35 20.959 -1.103 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 35 20.708 -3.221 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 35 20.365 -3.401 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 35 17.884 -2.804 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.684 -4.601 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 35 18.865 -3.366 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 35 19.427 -4.927 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.322 -5.095 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 35 19.051 -5.437 -0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 35 18.236 -4.216 0.326 1.00 0.00 H new ATOM 546 N LYS A 36 20.312 0.385 -2.758 1.00 0.00 N ATOM 547 CA LYS A 36 20.132 1.111 -4.009 1.00 0.00 C ATOM 548 C LYS A 36 21.470 1.392 -4.687 1.00 0.00 C ATOM 549 O LYS A 36 21.744 0.867 -5.767 1.00 0.00 O ATOM 550 CB LYS A 36 19.372 2.417 -3.765 1.00 0.00 C ATOM 551 CG LYS A 36 19.090 2.693 -2.296 1.00 0.00 C ATOM 552 CD LYS A 36 18.728 4.149 -2.062 1.00 0.00 C ATOM 553 CE LYS A 36 19.726 4.830 -1.141 1.00 0.00 C ATOM 554 NZ LYS A 36 19.067 5.822 -0.248 1.00 0.00 N ATOM 0 H LYS A 36 20.926 0.846 -2.086 1.00 0.00 H new ATOM 0 HA LYS A 36 19.544 0.482 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.948 3.245 -4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 36 18.427 2.385 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.275 2.055 -1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 36 19.966 2.435 -1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.695 4.675 -3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.730 4.212 -1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 36 20.234 4.079 -0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 36 20.489 5.329 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.765 6.203 0.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.676 6.598 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.299 5.359 0.278 1.00 0.00 H new ATOM 568 N PRO A 37 22.322 2.227 -4.074 1.00 0.00 N ATOM 569 CA PRO A 37 23.625 2.568 -4.638 1.00 0.00 C ATOM 570 C PRO A 37 24.704 1.555 -4.271 1.00 0.00 C ATOM 571 O PRO A 37 24.416 0.508 -3.692 1.00 0.00 O ATOM 572 CB PRO A 37 23.910 3.915 -3.989 1.00 0.00 C ATOM 573 CG PRO A 37 23.305 3.799 -2.633 1.00 0.00 C ATOM 574 CD PRO A 37 22.090 2.917 -2.788 1.00 0.00 C ATOM 0 HA PRO A 37 23.622 2.581 -5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 37 24.981 4.112 -3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 37 23.465 4.733 -4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 37 24.013 3.366 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 37 23.028 4.779 -2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 37 22.001 2.209 -1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 37 21.170 3.502 -2.807 1.00 0.00 H new ATOM 582 N LYS A 38 25.947 1.876 -4.611 1.00 0.00 N ATOM 583 CA LYS A 38 27.072 0.996 -4.316 1.00 0.00 C ATOM 584 C LYS A 38 28.122 1.716 -3.475 1.00 0.00 C ATOM 585 O LYS A 38 29.198 1.177 -3.215 1.00 0.00 O ATOM 586 CB LYS A 38 27.705 0.492 -5.615 1.00 0.00 C ATOM 587 CG LYS A 38 28.031 1.601 -6.602 1.00 0.00 C ATOM 588 CD LYS A 38 27.044 1.626 -7.757 1.00 0.00 C ATOM 589 CE LYS A 38 26.854 3.034 -8.298 1.00 0.00 C ATOM 590 NZ LYS A 38 28.152 3.682 -8.637 1.00 0.00 N ATOM 0 H LYS A 38 26.201 2.739 -5.091 1.00 0.00 H new ATOM 0 HA LYS A 38 26.696 0.146 -3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 38 28.619 -0.052 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 38 27.026 -0.217 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 38 28.016 2.562 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 38 29.041 1.461 -6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 38 27.399 0.974 -8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 38 26.084 1.230 -7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 38 26.223 2.999 -9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 38 26.329 3.639 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 27.974 4.574 -9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 28.681 3.878 -7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 28.709 3.047 -9.244 1.00 0.00 H new ATOM 604 N LYS A 39 27.804 2.935 -3.053 1.00 0.00 N ATOM 605 CA LYS A 39 28.723 3.726 -2.243 1.00 0.00 C ATOM 606 C LYS A 39 28.987 3.048 -0.904 1.00 0.00 C ATOM 607 O LYS A 39 30.058 2.481 -0.684 1.00 0.00 O ATOM 608 CB LYS A 39 28.158 5.129 -2.018 1.00 0.00 C ATOM 609 CG LYS A 39 27.917 5.900 -3.305 1.00 0.00 C ATOM 610 CD LYS A 39 27.185 7.206 -3.042 1.00 0.00 C ATOM 611 CE LYS A 39 25.879 6.971 -2.302 1.00 0.00 C ATOM 612 NZ LYS A 39 24.837 7.965 -2.684 1.00 0.00 N ATOM 0 H LYS A 39 26.918 3.396 -3.258 1.00 0.00 H new ATOM 0 HA LYS A 39 29.668 3.806 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 39 27.219 5.050 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 39 28.847 5.693 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 39 28.871 6.107 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 39 27.335 5.288 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 39 27.822 7.870 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 39 26.983 7.709 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 39 25.517 5.965 -2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 39 26.056 7.025 -1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 23.962 7.770 -2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 25.172 8.923 -2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 24.649 7.896 -3.705 1.00 0.00 H new ATOM 626 N ARG A 40 28.006 3.109 -0.011 1.00 0.00 N ATOM 627 CA ARG A 40 28.134 2.499 1.307 1.00 0.00 C ATOM 628 C ARG A 40 29.079 3.308 2.190 1.00 0.00 C ATOM 629 O ARG A 40 30.145 3.735 1.748 1.00 0.00 O ATOM 630 CB ARG A 40 28.643 1.062 1.179 1.00 0.00 C ATOM 631 CG ARG A 40 28.506 0.251 2.458 1.00 0.00 C ATOM 632 CD ARG A 40 28.138 -1.194 2.163 1.00 0.00 C ATOM 633 NE ARG A 40 26.695 -1.411 2.209 1.00 0.00 N ATOM 634 CZ ARG A 40 26.093 -2.469 1.677 1.00 0.00 C ATOM 635 NH1 ARG A 40 26.808 -3.407 1.070 1.00 0.00 N ATOM 636 NH2 ARG A 40 24.775 -2.592 1.751 1.00 0.00 N ATOM 0 H ARG A 40 27.113 3.575 -0.176 1.00 0.00 H new ATOM 0 HA ARG A 40 27.149 2.488 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 40 28.095 0.561 0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.692 1.082 0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.444 0.283 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 40 27.743 0.699 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 40 28.515 -1.470 1.178 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.626 -1.847 2.886 1.00 0.00 H new ATOM 0 HE ARG A 40 26.117 -0.712 2.675 1.00 0.00 H new ATOM 0 HH11 ARG A 40 27.822 -3.317 1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.344 -4.218 0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 40 24.221 -1.873 2.217 1.00 0.00 H new ATOM 0 HH22 ARG A 40 24.315 -3.405 1.342 1.00 0.00 H new ATOM 650 N LYS A 41 28.680 3.515 3.440 1.00 0.00 N ATOM 651 CA LYS A 41 29.490 4.273 4.385 1.00 0.00 C ATOM 652 C LYS A 41 30.795 3.545 4.693 1.00 0.00 C ATOM 653 O LYS A 41 31.750 4.145 5.186 1.00 0.00 O ATOM 654 CB LYS A 41 28.709 4.514 5.679 1.00 0.00 C ATOM 655 CG LYS A 41 28.931 5.895 6.274 1.00 0.00 C ATOM 656 CD LYS A 41 27.675 6.746 6.192 1.00 0.00 C ATOM 657 CE LYS A 41 27.923 8.154 6.711 1.00 0.00 C ATOM 658 NZ LYS A 41 28.013 9.147 5.605 1.00 0.00 N ATOM 0 H LYS A 41 27.800 3.168 3.822 1.00 0.00 H new ATOM 0 HA LYS A 41 29.731 5.233 3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 41 27.645 4.379 5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 41 28.996 3.761 6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 41 29.239 5.798 7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 41 29.744 6.393 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 41 27.332 6.793 5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 41 26.879 6.278 6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 41 27.118 8.438 7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 41 28.847 8.170 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 28.182 10.094 6.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 28.797 8.891 4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.122 9.151 5.068 1.00 0.00 H new ATOM 672 N ALA A 42 30.828 2.249 4.400 1.00 0.00 N ATOM 673 CA ALA A 42 32.018 1.442 4.647 1.00 0.00 C ATOM 674 C ALA A 42 33.233 2.023 3.935 1.00 0.00 C ATOM 675 O ALA A 42 33.114 2.353 2.736 1.00 0.00 O ATOM 676 CB ALA A 42 31.785 0.006 4.203 1.00 0.00 C ATOM 677 OXT ALA A 42 34.295 2.143 4.581 1.00 0.00 O ATOM 0 H ALA A 42 30.046 1.736 3.992 1.00 0.00 H new ATOM 0 HA ALA A 42 32.216 1.453 5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 42 32.682 -0.584 4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 42 30.948 -0.416 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 42 31.558 -0.013 3.137 1.00 0.00 H new TER 683 ALA A 42