USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 482 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 47 GLN : amide:sc= 0.0926 X(o=0.36,f=0.24) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -112:sc= 0.272 (180deg=0) USER MOD Single : A 1 THR N :NH3+ 143:sc= -0.0093 (180deg=-0.885) USER MOD Single : A 1 THR OG1 : rot -68:sc= 0.0688 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 8:sc= 0.404 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 17 THR OG1 : rot -13:sc= 0.456 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 94:sc= 0.118 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 136:sc= 0.154 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -176:sc= 0 (180deg=-0.0187) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 176:sc= 0.289 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -46.334 -7.359 -15.589 1.00 0.00 N ATOM 2 CA THR A 1 -45.730 -7.025 -16.904 1.00 0.00 C ATOM 3 C THR A 1 -44.652 -5.889 -16.749 1.00 0.00 C ATOM 4 O THR A 1 -44.944 -4.745 -17.114 1.00 0.00 O ATOM 5 CB THR A 1 -46.847 -6.793 -17.963 1.00 0.00 C ATOM 6 OG1 THR A 1 -46.256 -6.544 -19.236 1.00 0.00 O ATOM 7 CG2 THR A 1 -47.844 -5.661 -17.655 1.00 0.00 C ATOM 0 H1 THR A 1 -47.345 -7.567 -15.714 1.00 0.00 H new ATOM 0 H2 THR A 1 -45.856 -8.192 -15.189 1.00 0.00 H new ATOM 0 H3 THR A 1 -46.224 -6.553 -14.942 1.00 0.00 H new ATOM 0 HA THR A 1 -45.159 -7.865 -17.299 1.00 0.00 H new ATOM 0 HB THR A 1 -47.432 -7.712 -17.948 1.00 0.00 H new ATOM 0 HG1 THR A 1 -45.800 -5.676 -19.221 1.00 0.00 H new ATOM 0 HG21 THR A 1 -48.575 -5.591 -18.460 1.00 0.00 H new ATOM 0 HG22 THR A 1 -48.356 -5.873 -16.717 1.00 0.00 H new ATOM 0 HG23 THR A 1 -47.307 -4.716 -17.570 1.00 0.00 H new ATOM 17 N PRO A 2 -43.402 -6.133 -16.242 1.00 0.00 N ATOM 18 CA PRO A 2 -42.405 -5.056 -15.998 1.00 0.00 C ATOM 19 C PRO A 2 -41.557 -4.789 -17.278 1.00 0.00 C ATOM 20 O PRO A 2 -40.608 -5.521 -17.584 1.00 0.00 O ATOM 21 CB PRO A 2 -41.607 -5.630 -14.796 1.00 0.00 C ATOM 22 CG PRO A 2 -41.670 -7.151 -14.954 1.00 0.00 C ATOM 23 CD PRO A 2 -43.018 -7.419 -15.630 1.00 0.00 C ATOM 0 HA PRO A 2 -42.819 -4.073 -15.773 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -40.576 -5.277 -14.805 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -42.044 -5.315 -13.848 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -40.843 -7.520 -15.561 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -41.605 -7.652 -13.988 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -42.933 -8.204 -16.382 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -43.763 -7.750 -14.907 1.00 0.00 H new ATOM 31 N ASP A 3 -41.945 -3.744 -18.032 1.00 0.00 N ATOM 32 CA ASP A 3 -41.368 -3.448 -19.371 1.00 0.00 C ATOM 33 C ASP A 3 -40.216 -2.423 -19.217 1.00 0.00 C ATOM 34 O ASP A 3 -40.424 -1.289 -18.766 1.00 0.00 O ATOM 35 CB ASP A 3 -42.463 -2.931 -20.343 1.00 0.00 C ATOM 36 CG ASP A 3 -43.532 -3.967 -20.727 1.00 0.00 C ATOM 37 OD1 ASP A 3 -43.283 -4.786 -21.639 1.00 0.00 O ATOM 38 OD2 ASP A 3 -44.621 -3.969 -20.110 1.00 0.00 O ATOM 0 H ASP A 3 -42.662 -3.081 -17.739 1.00 0.00 H new ATOM 0 HA ASP A 3 -40.965 -4.365 -19.801 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -42.957 -2.073 -19.887 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -41.981 -2.574 -21.253 1.00 0.00 H new ATOM 43 N VAL A 4 -38.997 -2.866 -19.570 1.00 0.00 N ATOM 44 CA VAL A 4 -37.748 -2.111 -19.299 1.00 0.00 C ATOM 45 C VAL A 4 -36.850 -2.222 -20.567 1.00 0.00 C ATOM 46 O VAL A 4 -37.186 -1.632 -21.599 1.00 0.00 O ATOM 47 CB VAL A 4 -37.198 -2.480 -17.865 1.00 0.00 C ATOM 48 CG1 VAL A 4 -36.752 -3.945 -17.623 1.00 0.00 C ATOM 49 CG2 VAL A 4 -36.103 -1.497 -17.410 1.00 0.00 C ATOM 0 H VAL A 4 -38.843 -3.753 -20.050 1.00 0.00 H new ATOM 0 HA VAL A 4 -37.858 -1.033 -19.181 1.00 0.00 H new ATOM 0 HB VAL A 4 -38.087 -2.380 -17.242 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -36.398 -4.053 -16.598 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -37.596 -4.614 -17.788 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -35.948 -4.199 -18.313 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -35.748 -1.781 -16.420 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -35.273 -1.525 -18.115 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -36.513 -0.488 -17.373 1.00 0.00 H new ATOM 59 N SER A 5 -35.696 -2.908 -20.477 1.00 0.00 N ATOM 60 CA SER A 5 -34.580 -2.823 -21.474 1.00 0.00 C ATOM 61 C SER A 5 -34.114 -1.371 -21.844 1.00 0.00 C ATOM 62 O SER A 5 -33.942 -1.027 -23.018 1.00 0.00 O ATOM 63 CB SER A 5 -34.857 -3.729 -22.703 1.00 0.00 C ATOM 64 OG SER A 5 -35.035 -5.089 -22.320 1.00 0.00 O ATOM 0 H SER A 5 -35.497 -3.547 -19.707 1.00 0.00 H new ATOM 0 HA SER A 5 -33.702 -3.222 -20.966 1.00 0.00 H new ATOM 0 HB2 SER A 5 -35.748 -3.377 -23.222 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.028 -3.654 -23.406 1.00 0.00 H new ATOM 0 HG SER A 5 -35.209 -5.633 -23.116 1.00 0.00 H new ATOM 70 N SER A 6 -33.921 -0.529 -20.810 1.00 0.00 N ATOM 71 CA SER A 6 -33.598 0.918 -20.947 1.00 0.00 C ATOM 72 C SER A 6 -32.917 1.403 -19.634 1.00 0.00 C ATOM 73 O SER A 6 -31.737 1.764 -19.671 1.00 0.00 O ATOM 74 CB SER A 6 -34.820 1.789 -21.322 1.00 0.00 C ATOM 75 OG SER A 6 -35.315 1.482 -22.620 1.00 0.00 O ATOM 0 H SER A 6 -33.985 -0.833 -19.838 1.00 0.00 H new ATOM 0 HA SER A 6 -32.910 1.035 -21.784 1.00 0.00 H new ATOM 0 HB2 SER A 6 -35.611 1.639 -20.587 1.00 0.00 H new ATOM 0 HB3 SER A 6 -34.541 2.842 -21.280 1.00 0.00 H new ATOM 0 HG SER A 6 -34.852 0.691 -22.968 1.00 0.00 H new ATOM 81 N ALA A 7 -33.615 1.360 -18.470 1.00 0.00 N ATOM 82 CA ALA A 7 -32.944 1.382 -17.137 1.00 0.00 C ATOM 83 C ALA A 7 -32.072 0.118 -16.837 1.00 0.00 C ATOM 84 O ALA A 7 -30.937 0.265 -16.382 1.00 0.00 O ATOM 85 CB ALA A 7 -33.998 1.615 -16.039 1.00 0.00 C ATOM 0 H ALA A 7 -34.633 1.310 -18.423 1.00 0.00 H new ATOM 0 HA ALA A 7 -32.234 2.209 -17.151 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -33.510 1.631 -15.064 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -34.498 2.568 -16.211 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -34.733 0.810 -16.063 1.00 0.00 H new ATOM 91 N LEU A 8 -32.576 -1.095 -17.151 1.00 0.00 N ATOM 92 CA LEU A 8 -31.764 -2.344 -17.244 1.00 0.00 C ATOM 93 C LEU A 8 -30.628 -2.332 -18.312 1.00 0.00 C ATOM 94 O LEU A 8 -29.553 -2.863 -18.028 1.00 0.00 O ATOM 95 CB LEU A 8 -32.770 -3.524 -17.418 1.00 0.00 C ATOM 96 CG LEU A 8 -32.300 -5.006 -17.325 1.00 0.00 C ATOM 97 CD1 LEU A 8 -31.659 -5.542 -18.621 1.00 0.00 C ATOM 98 CD2 LEU A 8 -31.421 -5.308 -16.096 1.00 0.00 C ATOM 0 H LEU A 8 -33.565 -1.244 -17.350 1.00 0.00 H new ATOM 0 HA LEU A 8 -31.188 -2.454 -16.325 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -33.550 -3.390 -16.669 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -33.240 -3.400 -18.393 1.00 0.00 H new ATOM 0 HG LEU A 8 -33.229 -5.560 -17.186 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -31.358 -6.580 -18.476 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -32.381 -5.484 -19.435 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -30.784 -4.942 -18.869 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -31.135 -6.360 -16.103 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -30.525 -4.688 -16.128 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -31.980 -5.090 -15.186 1.00 0.00 H new ATOM 110 N ASP A 9 -30.834 -1.704 -19.490 1.00 0.00 N ATOM 111 CA ASP A 9 -29.747 -1.416 -20.474 1.00 0.00 C ATOM 112 C ASP A 9 -28.508 -0.672 -19.871 1.00 0.00 C ATOM 113 O ASP A 9 -27.384 -1.159 -20.028 1.00 0.00 O ATOM 114 CB ASP A 9 -30.330 -0.659 -21.702 1.00 0.00 C ATOM 115 CG ASP A 9 -29.484 -0.779 -22.976 1.00 0.00 C ATOM 116 OD1 ASP A 9 -29.687 -1.743 -23.747 1.00 0.00 O ATOM 117 OD2 ASP A 9 -28.611 0.088 -23.206 1.00 0.00 O ATOM 0 H ASP A 9 -31.753 -1.380 -19.793 1.00 0.00 H new ATOM 0 HA ASP A 9 -29.356 -2.382 -20.794 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -31.331 -1.039 -21.907 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -30.436 0.396 -21.448 1.00 0.00 H new ATOM 122 N LYS A 10 -28.729 0.449 -19.149 1.00 0.00 N ATOM 123 CA LYS A 10 -27.682 1.086 -18.305 1.00 0.00 C ATOM 124 C LYS A 10 -27.771 0.606 -16.817 1.00 0.00 C ATOM 125 O LYS A 10 -27.985 1.397 -15.893 1.00 0.00 O ATOM 126 CB LYS A 10 -27.751 2.631 -18.462 1.00 0.00 C ATOM 127 CG LYS A 10 -27.282 3.164 -19.835 1.00 0.00 C ATOM 128 CD LYS A 10 -27.307 4.705 -19.922 1.00 0.00 C ATOM 129 CE LYS A 10 -26.806 5.281 -21.261 1.00 0.00 C ATOM 130 NZ LYS A 10 -27.730 5.032 -22.387 1.00 0.00 N ATOM 0 H LYS A 10 -29.625 0.936 -19.131 1.00 0.00 H new ATOM 0 HA LYS A 10 -26.698 0.769 -18.650 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -28.779 2.954 -18.294 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -27.142 3.089 -17.683 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -26.269 2.811 -20.030 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -27.920 2.751 -20.617 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -28.327 5.049 -19.753 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -26.696 5.111 -19.116 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -26.657 6.355 -21.153 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -25.834 4.846 -21.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -27.336 5.444 -23.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -27.854 4.007 -22.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -28.651 5.470 -22.183 1.00 0.00 H new ATOM 144 N LEU A 11 -27.538 -0.703 -16.601 1.00 0.00 N ATOM 145 CA LEU A 11 -27.328 -1.309 -15.262 1.00 0.00 C ATOM 146 C LEU A 11 -26.120 -2.285 -15.369 1.00 0.00 C ATOM 147 O LEU A 11 -25.058 -1.982 -14.817 1.00 0.00 O ATOM 148 CB LEU A 11 -28.647 -1.929 -14.712 1.00 0.00 C ATOM 149 CG LEU A 11 -28.613 -2.471 -13.255 1.00 0.00 C ATOM 150 CD1 LEU A 11 -28.419 -1.362 -12.201 1.00 0.00 C ATOM 151 CD2 LEU A 11 -29.896 -3.269 -12.947 1.00 0.00 C ATOM 0 H LEU A 11 -27.489 -1.383 -17.360 1.00 0.00 H new ATOM 0 HA LEU A 11 -27.071 -0.561 -14.513 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -29.430 -1.173 -14.775 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -28.939 -2.746 -15.372 1.00 0.00 H new ATOM 0 HG LEU A 11 -27.745 -3.127 -13.191 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -28.404 -1.805 -11.205 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -27.476 -0.848 -12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -29.240 -0.648 -12.268 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -29.856 -3.641 -11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -30.764 -2.621 -13.064 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -29.976 -4.110 -13.636 1.00 0.00 H new ATOM 163 N LYS A 12 -26.253 -3.415 -16.106 1.00 0.00 N ATOM 164 CA LYS A 12 -25.106 -4.296 -16.472 1.00 0.00 C ATOM 165 C LYS A 12 -24.018 -3.620 -17.368 1.00 0.00 C ATOM 166 O LYS A 12 -22.834 -3.692 -17.024 1.00 0.00 O ATOM 167 CB LYS A 12 -25.598 -5.681 -16.996 1.00 0.00 C ATOM 168 CG LYS A 12 -26.102 -5.832 -18.455 1.00 0.00 C ATOM 169 CD LYS A 12 -27.377 -5.038 -18.818 1.00 0.00 C ATOM 170 CE LYS A 12 -27.863 -5.212 -20.270 1.00 0.00 C ATOM 171 NZ LYS A 12 -26.997 -4.537 -21.257 1.00 0.00 N ATOM 0 H LYS A 12 -27.150 -3.744 -16.463 1.00 0.00 H new ATOM 0 HA LYS A 12 -24.564 -4.485 -15.545 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -24.777 -6.386 -16.864 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -26.406 -6.006 -16.340 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -25.302 -5.524 -19.128 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -26.290 -6.889 -18.646 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -28.179 -5.340 -18.144 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -27.191 -3.979 -18.638 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -27.911 -6.275 -20.505 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -28.876 -4.820 -20.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -27.376 -4.690 -22.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -26.970 -3.517 -21.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -26.035 -4.927 -21.199 1.00 0.00 H new ATOM 185 N GLU A 13 -24.416 -2.942 -18.471 1.00 0.00 N ATOM 186 CA GLU A 13 -23.500 -2.112 -19.293 1.00 0.00 C ATOM 187 C GLU A 13 -23.600 -0.626 -18.832 1.00 0.00 C ATOM 188 O GLU A 13 -24.239 0.212 -19.475 1.00 0.00 O ATOM 189 CB GLU A 13 -23.839 -2.362 -20.796 1.00 0.00 C ATOM 190 CG GLU A 13 -22.901 -1.731 -21.854 1.00 0.00 C ATOM 191 CD GLU A 13 -21.469 -2.279 -21.832 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.235 -3.384 -22.367 1.00 0.00 O ATOM 193 OE2 GLU A 13 -20.572 -1.608 -21.275 1.00 0.00 O ATOM 0 H GLU A 13 -25.376 -2.954 -18.815 1.00 0.00 H new ATOM 0 HA GLU A 13 -22.453 -2.385 -19.161 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -23.857 -3.439 -20.962 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -24.849 -1.994 -20.979 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -23.326 -1.896 -22.844 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -22.868 -0.653 -21.697 1.00 0.00 H new ATOM 200 N PHE A 14 -22.950 -0.330 -17.690 1.00 0.00 N ATOM 201 CA PHE A 14 -22.884 1.030 -17.089 1.00 0.00 C ATOM 202 C PHE A 14 -21.628 1.131 -16.165 1.00 0.00 C ATOM 203 O PHE A 14 -20.821 2.038 -16.382 1.00 0.00 O ATOM 204 CB PHE A 14 -24.229 1.470 -16.435 1.00 0.00 C ATOM 205 CG PHE A 14 -24.284 2.926 -15.947 1.00 0.00 C ATOM 206 CD1 PHE A 14 -24.450 3.971 -16.865 1.00 0.00 C ATOM 207 CD2 PHE A 14 -24.173 3.222 -14.584 1.00 0.00 C ATOM 208 CE1 PHE A 14 -24.505 5.291 -16.424 1.00 0.00 C ATOM 209 CE2 PHE A 14 -24.226 4.543 -14.146 1.00 0.00 C ATOM 210 CZ PHE A 14 -24.393 5.576 -15.066 1.00 0.00 C ATOM 0 H PHE A 14 -22.448 -1.032 -17.147 1.00 0.00 H new ATOM 0 HA PHE A 14 -22.749 1.768 -17.880 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -25.031 1.317 -17.157 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.433 0.814 -15.589 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -24.536 3.752 -17.919 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.046 2.423 -13.869 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -24.635 6.093 -17.135 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.138 4.767 -13.093 1.00 0.00 H new ATOM 0 HZ PHE A 14 -24.436 6.600 -14.725 1.00 0.00 H new ATOM 220 N GLY A 15 -21.414 0.207 -15.193 1.00 0.00 N ATOM 221 CA GLY A 15 -20.061 -0.023 -14.608 1.00 0.00 C ATOM 222 C GLY A 15 -19.011 -0.627 -15.582 1.00 0.00 C ATOM 223 O GLY A 15 -17.875 -0.147 -15.618 1.00 0.00 O ATOM 0 H GLY A 15 -22.147 -0.384 -14.801 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.680 0.926 -14.232 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.162 -0.688 -13.751 1.00 0.00 H new ATOM 227 N ASN A 16 -19.408 -1.627 -16.399 1.00 0.00 N ATOM 228 CA ASN A 16 -18.619 -2.087 -17.577 1.00 0.00 C ATOM 229 C ASN A 16 -18.314 -1.012 -18.684 1.00 0.00 C ATOM 230 O ASN A 16 -17.288 -1.143 -19.358 1.00 0.00 O ATOM 231 CB ASN A 16 -19.335 -3.338 -18.166 1.00 0.00 C ATOM 232 CG ASN A 16 -18.530 -4.147 -19.206 1.00 0.00 C ATOM 233 OD1 ASN A 16 -18.687 -3.967 -20.413 1.00 0.00 O ATOM 234 ND2 ASN A 16 -17.658 -5.039 -18.764 1.00 0.00 N ATOM 0 H ASN A 16 -20.280 -2.140 -16.267 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.620 -2.324 -17.211 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -19.600 -4.002 -17.343 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -20.268 -3.015 -18.628 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -17.108 -5.586 -19.426 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -17.536 -5.180 -17.761 1.00 0.00 H new ATOM 241 N THR A 17 -19.163 0.029 -18.872 1.00 0.00 N ATOM 242 CA THR A 17 -18.936 1.121 -19.860 1.00 0.00 C ATOM 243 C THR A 17 -17.646 1.951 -19.562 1.00 0.00 C ATOM 244 O THR A 17 -16.749 1.955 -20.410 1.00 0.00 O ATOM 245 CB THR A 17 -20.238 1.971 -19.988 1.00 0.00 C ATOM 246 OG1 THR A 17 -21.343 1.144 -20.340 1.00 0.00 O ATOM 247 CG2 THR A 17 -20.171 3.076 -21.050 1.00 0.00 C ATOM 0 H THR A 17 -20.028 0.138 -18.342 1.00 0.00 H new ATOM 0 HA THR A 17 -18.731 0.686 -20.838 1.00 0.00 H new ATOM 0 HB THR A 17 -20.355 2.434 -19.008 1.00 0.00 H new ATOM 0 HG1 THR A 17 -21.016 0.269 -20.635 1.00 0.00 H new ATOM 0 HG21 THR A 17 -21.117 3.617 -21.072 1.00 0.00 H new ATOM 0 HG22 THR A 17 -19.363 3.766 -20.806 1.00 0.00 H new ATOM 0 HG23 THR A 17 -19.985 2.631 -22.027 1.00 0.00 H new ATOM 255 N LEU A 18 -17.527 2.599 -18.378 1.00 0.00 N ATOM 256 CA LEU A 18 -16.254 3.262 -17.947 1.00 0.00 C ATOM 257 C LEU A 18 -15.071 2.367 -17.439 1.00 0.00 C ATOM 258 O LEU A 18 -14.008 2.894 -17.097 1.00 0.00 O ATOM 259 CB LEU A 18 -16.549 4.487 -17.033 1.00 0.00 C ATOM 260 CG LEU A 18 -16.862 4.258 -15.524 1.00 0.00 C ATOM 261 CD1 LEU A 18 -16.841 5.600 -14.762 1.00 0.00 C ATOM 262 CD2 LEU A 18 -18.203 3.545 -15.269 1.00 0.00 C ATOM 0 H LEU A 18 -18.287 2.681 -17.702 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.824 3.604 -18.889 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.688 5.153 -17.091 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -17.395 5.021 -17.465 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.078 3.597 -15.155 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.061 5.424 -13.709 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -15.855 6.056 -14.855 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.591 6.269 -15.183 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.351 3.421 -14.196 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.017 4.142 -15.681 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.192 2.566 -15.749 1.00 0.00 H new ATOM 274 N GLU A 19 -15.230 1.034 -17.467 1.00 0.00 N ATOM 275 CA GLU A 19 -14.114 0.058 -17.356 1.00 0.00 C ATOM 276 C GLU A 19 -13.345 -0.069 -18.704 1.00 0.00 C ATOM 277 O GLU A 19 -12.140 0.186 -18.727 1.00 0.00 O ATOM 278 CB GLU A 19 -14.656 -1.288 -16.805 1.00 0.00 C ATOM 279 CG GLU A 19 -13.624 -2.336 -16.329 1.00 0.00 C ATOM 280 CD GLU A 19 -12.863 -3.067 -17.445 1.00 0.00 C ATOM 281 OE1 GLU A 19 -13.476 -3.900 -18.149 1.00 0.00 O ATOM 282 OE2 GLU A 19 -11.655 -2.802 -17.629 1.00 0.00 O ATOM 0 H GLU A 19 -16.143 0.591 -17.568 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.373 0.415 -16.641 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.319 -1.066 -15.969 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.267 -1.747 -17.582 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.899 -1.840 -15.683 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.140 -3.077 -15.719 1.00 0.00 H new ATOM 289 N ASP A 20 -14.032 -0.446 -19.808 1.00 0.00 N ATOM 290 CA ASP A 20 -13.435 -0.498 -21.170 1.00 0.00 C ATOM 291 C ASP A 20 -12.923 0.872 -21.716 1.00 0.00 C ATOM 292 O ASP A 20 -11.819 0.906 -22.258 1.00 0.00 O ATOM 293 CB ASP A 20 -14.449 -1.188 -22.122 1.00 0.00 C ATOM 294 CG ASP A 20 -13.918 -1.533 -23.525 1.00 0.00 C ATOM 295 OD1 ASP A 20 -12.888 -2.234 -23.633 1.00 0.00 O ATOM 296 OD2 ASP A 20 -14.531 -1.097 -24.524 1.00 0.00 O ATOM 0 H ASP A 20 -15.013 -0.723 -19.783 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.520 -1.088 -21.110 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.797 -2.106 -21.649 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.317 -0.538 -22.232 1.00 0.00 H new ATOM 301 N LYS A 21 -13.675 1.981 -21.553 1.00 0.00 N ATOM 302 CA LYS A 21 -13.207 3.354 -21.872 1.00 0.00 C ATOM 303 C LYS A 21 -11.880 3.794 -21.169 1.00 0.00 C ATOM 304 O LYS A 21 -10.965 4.242 -21.861 1.00 0.00 O ATOM 305 CB LYS A 21 -14.401 4.283 -21.540 1.00 0.00 C ATOM 306 CG LYS A 21 -14.358 5.679 -22.183 1.00 0.00 C ATOM 307 CD LYS A 21 -15.651 6.473 -21.903 1.00 0.00 C ATOM 308 CE LYS A 21 -15.833 7.028 -20.474 1.00 0.00 C ATOM 309 NZ LYS A 21 -14.861 8.082 -20.125 1.00 0.00 N ATOM 0 H LYS A 21 -14.630 1.953 -21.195 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.922 3.406 -22.923 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.321 3.788 -21.852 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.454 4.403 -20.458 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.501 6.231 -21.798 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.217 5.580 -23.259 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.693 7.310 -22.600 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.501 5.828 -22.127 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.842 7.427 -20.373 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.742 6.209 -19.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.039 8.410 -19.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.896 7.700 -20.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.962 8.880 -20.784 1.00 0.00 H new ATOM 323 N ALA A 22 -11.758 3.628 -19.834 1.00 0.00 N ATOM 324 CA ALA A 22 -10.486 3.868 -19.096 1.00 0.00 C ATOM 325 C ALA A 22 -9.292 2.927 -19.444 1.00 0.00 C ATOM 326 O ALA A 22 -8.164 3.409 -19.563 1.00 0.00 O ATOM 327 CB ALA A 22 -10.788 3.800 -17.591 1.00 0.00 C ATOM 0 H ALA A 22 -12.528 3.327 -19.237 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.140 4.852 -19.414 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.871 3.973 -17.028 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.522 4.563 -17.332 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.186 2.816 -17.344 1.00 0.00 H new ATOM 333 N ARG A 23 -9.540 1.615 -19.628 1.00 0.00 N ATOM 334 CA ARG A 23 -8.550 0.640 -20.169 1.00 0.00 C ATOM 335 C ARG A 23 -7.993 0.983 -21.591 1.00 0.00 C ATOM 336 O ARG A 23 -6.778 0.932 -21.787 1.00 0.00 O ATOM 337 CB ARG A 23 -9.219 -0.756 -20.067 1.00 0.00 C ATOM 338 CG ARG A 23 -8.328 -1.968 -20.430 1.00 0.00 C ATOM 339 CD ARG A 23 -8.973 -3.338 -20.140 1.00 0.00 C ATOM 340 NE ARG A 23 -10.167 -3.589 -20.985 1.00 0.00 N ATOM 341 CZ ARG A 23 -11.065 -4.570 -20.768 1.00 0.00 C ATOM 342 NH1 ARG A 23 -10.957 -5.478 -19.800 1.00 0.00 N ATOM 343 NH2 ARG A 23 -12.115 -4.638 -21.564 1.00 0.00 N ATOM 0 H ARG A 23 -10.440 1.190 -19.405 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.636 0.673 -19.576 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.580 -0.889 -19.047 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.093 -0.766 -20.718 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.076 -1.915 -21.489 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.392 -1.895 -19.876 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.239 -4.126 -20.309 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.258 -3.388 -19.089 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.318 -2.976 -21.786 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.157 -5.456 -19.167 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.674 -6.195 -19.691 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.229 -3.960 -22.317 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.813 -5.369 -21.426 1.00 0.00 H new ATOM 357 N GLU A 24 -8.862 1.368 -22.547 1.00 0.00 N ATOM 358 CA GLU A 24 -8.456 1.924 -23.871 1.00 0.00 C ATOM 359 C GLU A 24 -7.651 3.262 -23.810 1.00 0.00 C ATOM 360 O GLU A 24 -6.666 3.387 -24.542 1.00 0.00 O ATOM 361 CB GLU A 24 -9.713 2.099 -24.770 1.00 0.00 C ATOM 362 CG GLU A 24 -10.386 0.788 -25.238 1.00 0.00 C ATOM 363 CD GLU A 24 -11.720 1.037 -25.945 1.00 0.00 C ATOM 364 OE1 GLU A 24 -12.734 1.279 -25.252 1.00 0.00 O ATOM 365 OE2 GLU A 24 -11.762 0.993 -27.194 1.00 0.00 O ATOM 0 H GLU A 24 -9.873 1.305 -22.430 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.766 1.196 -24.296 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.449 2.690 -24.224 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.431 2.676 -25.651 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.714 0.258 -25.913 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.550 0.139 -24.377 1.00 0.00 H new ATOM 372 N LEU A 25 -8.044 4.238 -22.958 1.00 0.00 N ATOM 373 CA LEU A 25 -7.303 5.520 -22.785 1.00 0.00 C ATOM 374 C LEU A 25 -5.896 5.347 -22.131 1.00 0.00 C ATOM 375 O LEU A 25 -4.916 5.815 -22.708 1.00 0.00 O ATOM 376 CB LEU A 25 -8.189 6.563 -22.033 1.00 0.00 C ATOM 377 CG LEU A 25 -9.033 7.530 -22.914 1.00 0.00 C ATOM 378 CD1 LEU A 25 -10.094 6.845 -23.799 1.00 0.00 C ATOM 379 CD2 LEU A 25 -9.708 8.609 -22.044 1.00 0.00 C ATOM 0 H LEU A 25 -8.876 4.165 -22.373 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.095 5.905 -23.783 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.869 6.021 -21.376 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.540 7.163 -21.395 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.314 7.980 -23.599 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.630 7.600 -24.375 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.605 6.148 -24.480 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.798 6.302 -23.169 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.293 9.275 -22.679 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.364 8.132 -21.316 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.944 9.185 -21.521 1.00 0.00 H new ATOM 391 N ILE A 26 -5.791 4.672 -20.968 1.00 0.00 N ATOM 392 CA ILE A 26 -4.504 4.444 -20.238 1.00 0.00 C ATOM 393 C ILE A 26 -3.488 3.562 -21.046 1.00 0.00 C ATOM 394 O ILE A 26 -2.325 3.957 -21.134 1.00 0.00 O ATOM 395 CB ILE A 26 -4.812 3.953 -18.776 1.00 0.00 C ATOM 396 CG1 ILE A 26 -5.481 5.085 -17.933 1.00 0.00 C ATOM 397 CG2 ILE A 26 -3.574 3.409 -18.012 1.00 0.00 C ATOM 398 CD1 ILE A 26 -6.208 4.620 -16.670 1.00 0.00 C ATOM 0 H ILE A 26 -6.597 4.262 -20.496 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.970 5.389 -20.143 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.500 3.117 -18.900 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.713 5.803 -17.646 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.192 5.615 -18.567 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.873 3.092 -17.013 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.157 2.559 -18.553 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.821 4.194 -17.933 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.636 5.482 -16.158 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.004 3.927 -16.943 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.502 4.119 -16.008 1.00 0.00 H new ATOM 410 N SER A 27 -3.900 2.412 -21.626 1.00 0.00 N ATOM 411 CA SER A 27 -3.024 1.573 -22.502 1.00 0.00 C ATOM 412 C SER A 27 -2.466 2.261 -23.791 1.00 0.00 C ATOM 413 O SER A 27 -1.294 2.056 -24.122 1.00 0.00 O ATOM 414 CB SER A 27 -3.746 0.257 -22.868 1.00 0.00 C ATOM 415 OG SER A 27 -4.062 -0.507 -21.707 1.00 0.00 O ATOM 0 H SER A 27 -4.840 2.034 -21.507 1.00 0.00 H new ATOM 0 HA SER A 27 -2.138 1.383 -21.896 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.661 0.483 -23.416 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.114 -0.333 -23.532 1.00 0.00 H new ATOM 0 HG SER A 27 -4.974 -0.297 -21.415 1.00 0.00 H new ATOM 421 N ARG A 28 -3.278 3.083 -24.485 1.00 0.00 N ATOM 422 CA ARG A 28 -2.809 3.966 -25.595 1.00 0.00 C ATOM 423 C ARG A 28 -1.841 5.119 -25.152 1.00 0.00 C ATOM 424 O ARG A 28 -0.876 5.407 -25.864 1.00 0.00 O ATOM 425 CB ARG A 28 -4.076 4.499 -26.319 1.00 0.00 C ATOM 426 CG ARG A 28 -3.830 5.259 -27.644 1.00 0.00 C ATOM 427 CD ARG A 28 -5.113 5.735 -28.357 1.00 0.00 C ATOM 428 NE ARG A 28 -5.802 6.848 -27.648 1.00 0.00 N ATOM 429 CZ ARG A 28 -6.956 6.738 -26.959 1.00 0.00 C ATOM 430 NH1 ARG A 28 -7.644 5.606 -26.826 1.00 0.00 N ATOM 431 NH2 ARG A 28 -7.432 7.823 -26.379 1.00 0.00 N ATOM 0 H ARG A 28 -4.278 3.161 -24.300 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.189 3.377 -26.271 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.735 3.655 -26.524 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.609 5.161 -25.637 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.201 6.125 -27.440 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.272 4.612 -28.321 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.861 6.058 -29.367 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.800 4.894 -28.453 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.366 7.769 -27.687 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.304 4.748 -27.261 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.511 5.596 -26.289 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.930 8.707 -26.460 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.303 7.778 -25.849 1.00 0.00 H new ATOM 445 N ILE A 29 -2.102 5.756 -23.992 1.00 0.00 N ATOM 446 CA ILE A 29 -1.274 6.850 -23.414 1.00 0.00 C ATOM 447 C ILE A 29 0.055 6.249 -22.860 1.00 0.00 C ATOM 448 O ILE A 29 1.051 6.229 -23.590 1.00 0.00 O ATOM 449 CB ILE A 29 -2.196 7.713 -22.471 1.00 0.00 C ATOM 450 CG1 ILE A 29 -3.271 8.538 -23.247 1.00 0.00 C ATOM 451 CG2 ILE A 29 -1.472 8.643 -21.468 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.766 9.667 -24.160 1.00 0.00 C ATOM 0 H ILE A 29 -2.910 5.524 -23.414 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.905 7.580 -24.135 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.681 6.939 -21.876 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.853 7.846 -23.856 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.954 8.973 -22.518 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.210 9.184 -20.876 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.843 8.046 -20.807 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.852 9.355 -22.014 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.615 10.157 -24.637 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.213 10.395 -23.566 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.111 9.251 -24.925 1.00 0.00 H new ATOM 464 N LYS A 30 0.076 5.789 -21.595 1.00 0.00 N ATOM 465 CA LYS A 30 1.325 5.405 -20.853 1.00 0.00 C ATOM 466 C LYS A 30 2.514 6.440 -20.785 1.00 0.00 C ATOM 467 O LYS A 30 3.643 6.069 -20.450 1.00 0.00 O ATOM 468 CB LYS A 30 1.814 3.983 -21.273 1.00 0.00 C ATOM 469 CG LYS A 30 0.873 2.782 -21.015 1.00 0.00 C ATOM 470 CD LYS A 30 0.568 2.516 -19.524 1.00 0.00 C ATOM 471 CE LYS A 30 -0.298 1.264 -19.300 1.00 0.00 C ATOM 472 NZ LYS A 30 -0.526 1.021 -17.864 1.00 0.00 N ATOM 0 H LYS A 30 -0.772 5.667 -21.041 1.00 0.00 H new ATOM 0 HA LYS A 30 0.986 5.404 -19.817 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.037 4.009 -22.340 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.753 3.787 -20.756 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.067 2.954 -21.540 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.320 1.887 -21.447 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.507 2.403 -18.982 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.059 3.383 -19.103 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.255 1.386 -19.807 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.190 0.397 -19.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.113 0.171 -17.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.387 0.881 -17.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.014 1.839 -17.447 1.00 0.00 H new ATOM 486 N GLN A 31 2.274 7.724 -21.111 1.00 0.00 N ATOM 487 CA GLN A 31 3.335 8.711 -21.473 1.00 0.00 C ATOM 488 C GLN A 31 2.987 10.179 -21.096 1.00 0.00 C ATOM 489 O GLN A 31 3.869 10.931 -20.671 1.00 0.00 O ATOM 490 CB GLN A 31 3.737 8.646 -22.974 1.00 0.00 C ATOM 491 CG GLN A 31 4.490 7.372 -23.416 1.00 0.00 C ATOM 492 CD GLN A 31 4.842 7.363 -24.911 1.00 0.00 C ATOM 493 OE1 GLN A 31 5.875 7.888 -25.326 1.00 0.00 O ATOM 494 NE2 GLN A 31 4.001 6.770 -25.746 1.00 0.00 N ATOM 0 H GLN A 31 1.334 8.119 -21.134 1.00 0.00 H new ATOM 0 HA GLN A 31 4.188 8.406 -20.867 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.833 8.738 -23.577 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.361 9.511 -23.201 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.407 7.279 -22.833 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.878 6.499 -23.189 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.148 6.338 -25.390 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.207 6.745 -26.745 1.00 0.00 H new ATOM 503 N SER A 32 1.728 10.578 -21.313 1.00 0.00 N ATOM 504 CA SER A 32 1.260 11.980 -21.147 1.00 0.00 C ATOM 505 C SER A 32 0.030 12.007 -20.208 1.00 0.00 C ATOM 506 O SER A 32 -1.078 11.632 -20.601 1.00 0.00 O ATOM 507 CB SER A 32 0.946 12.609 -22.524 1.00 0.00 C ATOM 508 OG SER A 32 2.122 12.720 -23.319 1.00 0.00 O ATOM 0 H SER A 32 0.991 9.939 -21.612 1.00 0.00 H new ATOM 0 HA SER A 32 2.049 12.578 -20.690 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.208 12.000 -23.045 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.504 13.595 -22.384 1.00 0.00 H new ATOM 0 HG SER A 32 1.895 13.119 -24.185 1.00 0.00 H new ATOM 514 N GLU A 33 0.248 12.464 -18.958 1.00 0.00 N ATOM 515 CA GLU A 33 -0.795 12.525 -17.887 1.00 0.00 C ATOM 516 C GLU A 33 -1.151 11.193 -17.147 1.00 0.00 C ATOM 517 O GLU A 33 -1.597 11.254 -15.996 1.00 0.00 O ATOM 518 CB GLU A 33 -2.022 13.407 -18.264 1.00 0.00 C ATOM 519 CG GLU A 33 -2.818 14.005 -17.084 1.00 0.00 C ATOM 520 CD GLU A 33 -3.968 14.904 -17.547 1.00 0.00 C ATOM 521 OE1 GLU A 33 -5.089 14.389 -17.763 1.00 0.00 O ATOM 522 OE2 GLU A 33 -3.758 16.127 -17.697 1.00 0.00 O ATOM 0 H GLU A 33 1.158 12.807 -18.650 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.274 13.059 -17.092 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.675 14.226 -18.894 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.703 12.807 -18.868 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.217 13.196 -16.472 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.144 14.581 -16.450 1.00 0.00 H new ATOM 529 N LEU A 34 -0.872 10.007 -17.727 1.00 0.00 N ATOM 530 CA LEU A 34 -0.568 8.788 -16.917 1.00 0.00 C ATOM 531 C LEU A 34 0.819 8.920 -16.219 1.00 0.00 C ATOM 532 O LEU A 34 0.927 8.677 -15.013 1.00 0.00 O ATOM 533 CB LEU A 34 -0.679 7.509 -17.806 1.00 0.00 C ATOM 534 CG LEU A 34 -0.478 6.097 -17.173 1.00 0.00 C ATOM 535 CD1 LEU A 34 0.992 5.711 -16.898 1.00 0.00 C ATOM 536 CD2 LEU A 34 -1.338 5.849 -15.918 1.00 0.00 C ATOM 0 H LEU A 34 -0.849 9.859 -18.736 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.307 8.691 -16.121 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.667 7.520 -18.267 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.049 7.610 -18.611 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.834 5.433 -17.961 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.030 4.714 -16.459 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.551 5.717 -17.834 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.434 6.429 -16.207 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.143 4.847 -15.536 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.087 6.584 -15.154 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.393 5.940 -16.176 1.00 0.00 H new ATOM 548 N SER A 35 1.854 9.301 -16.992 1.00 0.00 N ATOM 549 CA SER A 35 3.230 9.481 -16.493 1.00 0.00 C ATOM 550 C SER A 35 3.397 10.927 -15.936 1.00 0.00 C ATOM 551 O SER A 35 2.852 11.189 -14.860 1.00 0.00 O ATOM 552 CB SER A 35 4.182 9.029 -17.625 1.00 0.00 C ATOM 553 OG SER A 35 4.098 7.628 -17.866 1.00 0.00 O ATOM 0 H SER A 35 1.757 9.494 -17.989 1.00 0.00 H new ATOM 0 HA SER A 35 3.484 8.861 -15.633 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.939 9.569 -18.540 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.207 9.291 -17.363 1.00 0.00 H new ATOM 0 HG SER A 35 4.070 7.463 -18.832 1.00 0.00 H new ATOM 559 N ALA A 36 4.139 11.836 -16.616 1.00 0.00 N ATOM 560 CA ALA A 36 4.554 13.177 -16.071 1.00 0.00 C ATOM 561 C ALA A 36 5.597 13.095 -14.913 1.00 0.00 C ATOM 562 O ALA A 36 6.756 13.476 -15.101 1.00 0.00 O ATOM 563 CB ALA A 36 3.365 14.126 -15.804 1.00 0.00 C ATOM 0 H ALA A 36 4.474 11.669 -17.565 1.00 0.00 H new ATOM 0 HA ALA A 36 5.105 13.657 -16.879 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.736 15.073 -15.413 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.826 14.304 -16.734 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.693 13.671 -15.076 1.00 0.00 H new ATOM 569 N LYS A 37 5.195 12.562 -13.742 1.00 0.00 N ATOM 570 CA LYS A 37 6.135 12.145 -12.662 1.00 0.00 C ATOM 571 C LYS A 37 6.926 10.834 -12.970 1.00 0.00 C ATOM 572 O LYS A 37 8.110 10.775 -12.625 1.00 0.00 O ATOM 573 CB LYS A 37 5.400 12.038 -11.298 1.00 0.00 C ATOM 574 CG LYS A 37 4.717 13.309 -10.729 1.00 0.00 C ATOM 575 CD LYS A 37 5.641 14.494 -10.359 1.00 0.00 C ATOM 576 CE LYS A 37 5.863 15.520 -11.491 1.00 0.00 C ATOM 577 NZ LYS A 37 6.741 16.620 -11.055 1.00 0.00 N ATOM 0 H LYS A 37 4.214 12.405 -13.511 1.00 0.00 H new ATOM 0 HA LYS A 37 6.885 12.934 -12.608 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.638 11.264 -11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.121 11.688 -10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.991 13.661 -11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.158 13.024 -9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.218 15.011 -9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.609 14.099 -10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.303 15.022 -12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.903 15.924 -11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.870 17.292 -11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.308 17.110 -10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.665 16.235 -10.773 1.00 0.00 H new ATOM 591 N MET A 38 6.327 9.820 -13.641 1.00 0.00 N ATOM 592 CA MET A 38 7.094 8.695 -14.253 1.00 0.00 C ATOM 593 C MET A 38 8.094 9.119 -15.379 1.00 0.00 C ATOM 594 O MET A 38 9.171 8.529 -15.429 1.00 0.00 O ATOM 595 CB MET A 38 6.179 7.560 -14.779 1.00 0.00 C ATOM 596 CG MET A 38 5.249 6.864 -13.771 1.00 0.00 C ATOM 597 SD MET A 38 6.157 6.256 -12.324 1.00 0.00 S ATOM 598 CE MET A 38 7.197 4.946 -13.013 1.00 0.00 C ATOM 0 H MET A 38 5.318 9.754 -13.775 1.00 0.00 H new ATOM 0 HA MET A 38 7.690 8.320 -13.421 1.00 0.00 H new ATOM 0 HB2 MET A 38 5.561 7.971 -15.577 1.00 0.00 H new ATOM 0 HB3 MET A 38 6.815 6.798 -15.229 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.476 7.562 -13.448 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.743 6.031 -14.259 1.00 0.00 H new ATOM 0 HE1 MET A 38 7.744 4.455 -12.208 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.571 4.215 -13.525 1.00 0.00 H new ATOM 0 HE3 MET A 38 7.904 5.378 -13.722 1.00 0.00 H new ATOM 608 N ARG A 39 7.796 10.129 -16.233 1.00 0.00 N ATOM 609 CA ARG A 39 8.795 10.732 -17.175 1.00 0.00 C ATOM 610 C ARG A 39 10.103 11.258 -16.493 1.00 0.00 C ATOM 611 O ARG A 39 11.200 10.916 -16.945 1.00 0.00 O ATOM 612 CB ARG A 39 8.171 11.873 -18.032 1.00 0.00 C ATOM 613 CG ARG A 39 6.973 11.556 -18.958 1.00 0.00 C ATOM 614 CD ARG A 39 7.244 10.608 -20.140 1.00 0.00 C ATOM 615 NE ARG A 39 7.084 9.179 -19.774 1.00 0.00 N ATOM 616 CZ ARG A 39 7.349 8.150 -20.600 1.00 0.00 C ATOM 617 NH1 ARG A 39 7.896 8.285 -21.806 1.00 0.00 N ATOM 618 NH2 ARG A 39 7.048 6.932 -20.190 1.00 0.00 N ATOM 0 H ARG A 39 6.869 10.551 -16.295 1.00 0.00 H new ATOM 0 HA ARG A 39 9.084 9.900 -17.816 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.857 12.662 -17.348 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.965 12.287 -18.654 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.178 11.123 -18.350 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.593 12.497 -19.357 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.564 10.848 -20.957 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.256 10.774 -20.509 1.00 0.00 H new ATOM 0 HE ARG A 39 6.751 8.962 -18.834 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.141 9.212 -22.154 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.070 7.461 -22.382 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.627 6.793 -19.271 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.236 6.130 -20.792 1.00 0.00 H new ATOM 632 N GLU A 40 9.981 12.040 -15.398 1.00 0.00 N ATOM 633 CA GLU A 40 11.129 12.435 -14.530 1.00 0.00 C ATOM 634 C GLU A 40 11.878 11.250 -13.838 1.00 0.00 C ATOM 635 O GLU A 40 13.112 11.257 -13.810 1.00 0.00 O ATOM 636 CB GLU A 40 10.680 13.484 -13.476 1.00 0.00 C ATOM 637 CG GLU A 40 10.138 14.834 -14.002 1.00 0.00 C ATOM 638 CD GLU A 40 11.181 15.699 -14.718 1.00 0.00 C ATOM 639 OE1 GLU A 40 11.922 16.443 -14.037 1.00 0.00 O ATOM 640 OE2 GLU A 40 11.264 15.638 -15.965 1.00 0.00 O ATOM 0 H GLU A 40 9.087 12.419 -15.085 1.00 0.00 H new ATOM 0 HA GLU A 40 11.859 12.873 -15.210 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.907 13.029 -12.856 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.529 13.692 -12.825 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.314 14.638 -14.688 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.729 15.399 -13.164 1.00 0.00 H new ATOM 647 N TRP A 41 11.150 10.242 -13.313 1.00 0.00 N ATOM 648 CA TRP A 41 11.739 8.998 -12.749 1.00 0.00 C ATOM 649 C TRP A 41 12.496 8.088 -13.778 1.00 0.00 C ATOM 650 O TRP A 41 13.529 7.532 -13.402 1.00 0.00 O ATOM 651 CB TRP A 41 10.612 8.240 -11.991 1.00 0.00 C ATOM 652 CG TRP A 41 11.054 7.008 -11.189 1.00 0.00 C ATOM 653 CD1 TRP A 41 11.385 6.977 -9.819 1.00 0.00 C ATOM 654 CD2 TRP A 41 11.235 5.713 -11.646 1.00 0.00 C ATOM 655 NE1 TRP A 41 11.765 5.688 -9.403 1.00 0.00 N ATOM 656 CE2 TRP A 41 11.667 4.920 -10.553 1.00 0.00 C ATOM 657 CE3 TRP A 41 11.121 5.150 -12.944 1.00 0.00 C ATOM 658 CZ2 TRP A 41 11.978 3.553 -10.749 1.00 0.00 C ATOM 659 CZ3 TRP A 41 11.435 3.800 -13.110 1.00 0.00 C ATOM 660 CH2 TRP A 41 11.851 3.013 -12.030 1.00 0.00 C ATOM 0 H TRP A 41 10.131 10.263 -13.266 1.00 0.00 H new ATOM 0 HA TRP A 41 12.536 9.287 -12.064 1.00 0.00 H new ATOM 0 HB2 TRP A 41 10.126 8.938 -11.309 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.860 7.927 -12.716 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.351 7.838 -9.168 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.048 5.388 -8.470 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.799 5.751 -13.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.307 2.940 -9.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 11.355 3.354 -14.091 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.078 1.969 -12.191 1.00 0.00 H new ATOM 671 N PHE A 42 12.000 7.894 -15.022 1.00 0.00 N ATOM 672 CA PHE A 42 12.723 7.108 -16.076 1.00 0.00 C ATOM 673 C PHE A 42 14.066 7.752 -16.553 1.00 0.00 C ATOM 674 O PHE A 42 14.996 7.017 -16.891 1.00 0.00 O ATOM 675 CB PHE A 42 11.815 6.822 -17.312 1.00 0.00 C ATOM 676 CG PHE A 42 10.656 5.819 -17.130 1.00 0.00 C ATOM 677 CD1 PHE A 42 10.908 4.493 -16.753 1.00 0.00 C ATOM 678 CD2 PHE A 42 9.338 6.206 -17.403 1.00 0.00 C ATOM 679 CE1 PHE A 42 9.857 3.593 -16.595 1.00 0.00 C ATOM 680 CE2 PHE A 42 8.289 5.306 -17.241 1.00 0.00 C ATOM 681 CZ PHE A 42 8.548 4.002 -16.833 1.00 0.00 C ATOM 0 H PHE A 42 11.102 8.267 -15.331 1.00 0.00 H new ATOM 0 HA PHE A 42 12.979 6.170 -15.584 1.00 0.00 H new ATOM 0 HB2 PHE A 42 11.390 7.770 -17.643 1.00 0.00 H new ATOM 0 HB3 PHE A 42 12.451 6.458 -18.119 1.00 0.00 H new ATOM 0 HD1 PHE A 42 11.924 4.167 -16.584 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.134 7.211 -17.742 1.00 0.00 H new ATOM 0 HE1 PHE A 42 10.058 2.577 -16.288 1.00 0.00 H new ATOM 0 HE2 PHE A 42 7.274 5.620 -17.432 1.00 0.00 H new ATOM 0 HZ PHE A 42 7.733 3.306 -16.701 1.00 0.00 H new ATOM 691 N SER A 43 14.176 9.096 -16.542 1.00 0.00 N ATOM 692 CA SER A 43 15.477 9.813 -16.667 1.00 0.00 C ATOM 693 C SER A 43 16.435 9.601 -15.449 1.00 0.00 C ATOM 694 O SER A 43 17.599 9.248 -15.654 1.00 0.00 O ATOM 695 CB SER A 43 15.226 11.315 -16.935 1.00 0.00 C ATOM 696 OG SER A 43 14.519 11.516 -18.155 1.00 0.00 O ATOM 0 H SER A 43 13.374 9.719 -16.447 1.00 0.00 H new ATOM 0 HA SER A 43 15.999 9.375 -17.518 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.658 11.743 -16.109 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.179 11.843 -16.974 1.00 0.00 H new ATOM 0 HG SER A 43 14.374 12.475 -18.295 1.00 0.00 H new ATOM 702 N GLU A 44 15.933 9.774 -14.206 1.00 0.00 N ATOM 703 CA GLU A 44 16.659 9.451 -12.942 1.00 0.00 C ATOM 704 C GLU A 44 17.224 7.995 -12.811 1.00 0.00 C ATOM 705 O GLU A 44 18.344 7.826 -12.325 1.00 0.00 O ATOM 706 CB GLU A 44 15.688 9.779 -11.771 1.00 0.00 C ATOM 707 CG GLU A 44 16.344 9.933 -10.388 1.00 0.00 C ATOM 708 CD GLU A 44 15.309 10.042 -9.263 1.00 0.00 C ATOM 709 OE1 GLU A 44 14.804 8.995 -8.803 1.00 0.00 O ATOM 710 OE2 GLU A 44 14.993 11.176 -8.841 1.00 0.00 O ATOM 0 H GLU A 44 14.998 10.147 -14.043 1.00 0.00 H new ATOM 0 HA GLU A 44 17.565 10.057 -12.929 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.160 10.703 -12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.938 8.990 -11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.994 9.079 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.976 10.821 -10.385 1.00 0.00 H new ATOM 717 N THR A 45 16.452 6.971 -13.217 1.00 0.00 N ATOM 718 CA THR A 45 16.852 5.538 -13.138 1.00 0.00 C ATOM 719 C THR A 45 17.728 5.089 -14.347 1.00 0.00 C ATOM 720 O THR A 45 18.758 4.451 -14.110 1.00 0.00 O ATOM 721 CB THR A 45 15.578 4.668 -12.914 1.00 0.00 C ATOM 722 OG1 THR A 45 14.861 5.117 -11.766 1.00 0.00 O ATOM 723 CG2 THR A 45 15.838 3.164 -12.715 1.00 0.00 C ATOM 0 H THR A 45 15.522 7.107 -13.614 1.00 0.00 H new ATOM 0 HA THR A 45 17.508 5.393 -12.280 1.00 0.00 H new ATOM 0 HB THR A 45 15.013 4.790 -13.838 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.033 4.601 -11.675 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.890 2.647 -12.567 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.337 2.761 -13.596 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.471 3.017 -11.840 1.00 0.00 H new ATOM 731 N PHE A 46 17.345 5.399 -15.609 1.00 0.00 N ATOM 732 CA PHE A 46 18.122 4.998 -16.812 1.00 0.00 C ATOM 733 C PHE A 46 19.306 5.983 -17.021 1.00 0.00 C ATOM 734 O PHE A 46 19.187 7.142 -17.430 1.00 0.00 O ATOM 735 CB PHE A 46 17.207 4.888 -18.045 1.00 0.00 C ATOM 736 CG PHE A 46 17.751 4.070 -19.231 1.00 0.00 C ATOM 737 CD1 PHE A 46 17.696 2.672 -19.194 1.00 0.00 C ATOM 738 CD2 PHE A 46 18.271 4.705 -20.363 1.00 0.00 C ATOM 739 CE1 PHE A 46 18.187 1.921 -20.258 1.00 0.00 C ATOM 740 CE2 PHE A 46 18.754 3.950 -21.431 1.00 0.00 C ATOM 741 CZ PHE A 46 18.718 2.559 -21.375 1.00 0.00 C ATOM 0 H PHE A 46 16.499 5.928 -15.823 1.00 0.00 H new ATOM 0 HA PHE A 46 18.546 4.005 -16.661 1.00 0.00 H new ATOM 0 HB2 PHE A 46 16.262 4.446 -17.730 1.00 0.00 H new ATOM 0 HB3 PHE A 46 16.986 5.896 -18.398 1.00 0.00 H new ATOM 0 HD1 PHE A 46 17.270 2.174 -18.336 1.00 0.00 H new ATOM 0 HD2 PHE A 46 18.299 5.784 -20.410 1.00 0.00 H new ATOM 0 HE1 PHE A 46 18.156 0.842 -20.217 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.157 4.444 -22.303 1.00 0.00 H new ATOM 0 HZ PHE A 46 19.102 1.975 -22.198 1.00 0.00 H new ATOM 751 N GLN A 47 20.425 5.411 -16.614 1.00 0.00 N ATOM 752 CA GLN A 47 21.697 6.082 -16.225 1.00 0.00 C ATOM 753 C GLN A 47 22.535 5.069 -15.386 1.00 0.00 C ATOM 754 O GLN A 47 23.627 4.695 -15.823 1.00 0.00 O ATOM 755 CB GLN A 47 21.665 7.516 -15.620 1.00 0.00 C ATOM 756 CG GLN A 47 20.788 7.773 -14.374 1.00 0.00 C ATOM 757 CD GLN A 47 21.012 9.165 -13.762 1.00 0.00 C ATOM 758 OE1 GLN A 47 21.858 9.346 -12.888 1.00 0.00 O ATOM 759 NE2 GLN A 47 20.268 10.172 -14.195 1.00 0.00 N ATOM 0 H GLN A 47 20.496 4.397 -16.534 1.00 0.00 H new ATOM 0 HA GLN A 47 22.176 6.336 -17.171 1.00 0.00 H new ATOM 0 HB2 GLN A 47 22.689 7.792 -15.367 1.00 0.00 H new ATOM 0 HB3 GLN A 47 21.336 8.199 -16.403 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.738 7.666 -14.647 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.001 7.013 -13.623 1.00 0.00 H new ATOM 0 HE21 GLN A 47 19.568 10.014 -14.920 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.395 11.105 -13.803 1.00 0.00 H new ATOM 768 N LYS A 48 22.019 4.571 -14.234 1.00 0.00 N ATOM 769 CA LYS A 48 22.540 3.332 -13.582 1.00 0.00 C ATOM 770 C LYS A 48 22.260 2.037 -14.417 1.00 0.00 C ATOM 771 O LYS A 48 23.187 1.248 -14.618 1.00 0.00 O ATOM 772 CB LYS A 48 22.005 3.186 -12.127 1.00 0.00 C ATOM 773 CG LYS A 48 22.694 4.044 -11.038 1.00 0.00 C ATOM 774 CD LYS A 48 22.386 5.556 -10.996 1.00 0.00 C ATOM 775 CE LYS A 48 20.927 5.902 -10.641 1.00 0.00 C ATOM 776 NZ LYS A 48 20.762 7.346 -10.406 1.00 0.00 N ATOM 0 H LYS A 48 21.243 5.005 -13.734 1.00 0.00 H new ATOM 0 HA LYS A 48 23.623 3.445 -13.538 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.943 3.431 -12.130 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.090 2.139 -11.838 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.431 3.624 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.771 3.927 -11.154 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.045 6.028 -10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.623 5.989 -11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.269 5.585 -11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.626 5.350 -9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.551 7.512 -9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.639 7.842 -10.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.978 7.705 -10.988 1.00 0.00 H new ATOM 790 N VAL A 49 21.023 1.846 -14.932 1.00 0.00 N ATOM 791 CA VAL A 49 20.695 0.786 -15.940 1.00 0.00 C ATOM 792 C VAL A 49 21.500 0.934 -17.273 1.00 0.00 C ATOM 793 O VAL A 49 21.972 -0.081 -17.788 1.00 0.00 O ATOM 794 CB VAL A 49 19.163 0.713 -16.273 1.00 0.00 C ATOM 795 CG1 VAL A 49 18.765 -0.550 -17.078 1.00 0.00 C ATOM 796 CG2 VAL A 49 18.203 0.809 -15.062 1.00 0.00 C ATOM 0 H VAL A 49 20.219 2.416 -14.667 1.00 0.00 H new ATOM 0 HA VAL A 49 20.994 -0.144 -15.457 1.00 0.00 H new ATOM 0 HB VAL A 49 19.037 1.612 -16.877 1.00 0.00 H new ATOM 0 HG11 VAL A 49 17.693 -0.534 -17.273 1.00 0.00 H new ATOM 0 HG12 VAL A 49 19.305 -0.563 -18.025 1.00 0.00 H new ATOM 0 HG13 VAL A 49 19.017 -1.442 -16.504 1.00 0.00 H new ATOM 0 HG21 VAL A 49 17.172 0.748 -15.409 1.00 0.00 H new ATOM 0 HG22 VAL A 49 18.403 -0.012 -14.373 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.357 1.759 -14.550 1.00 0.00 H new ATOM 806 N LYS A 50 21.627 2.154 -17.841 1.00 0.00 N ATOM 807 CA LYS A 50 22.326 2.400 -19.119 1.00 0.00 C ATOM 808 C LYS A 50 23.840 2.004 -19.111 1.00 0.00 C ATOM 809 O LYS A 50 24.270 1.229 -19.969 1.00 0.00 O ATOM 810 CB LYS A 50 22.069 3.899 -19.412 1.00 0.00 C ATOM 811 CG LYS A 50 22.643 4.477 -20.719 1.00 0.00 C ATOM 812 CD LYS A 50 22.726 6.018 -20.680 1.00 0.00 C ATOM 813 CE LYS A 50 21.419 6.799 -20.920 1.00 0.00 C ATOM 814 NZ LYS A 50 20.960 6.740 -22.320 1.00 0.00 N ATOM 0 H LYS A 50 21.244 3.001 -17.421 1.00 0.00 H new ATOM 0 HA LYS A 50 21.943 1.760 -19.914 1.00 0.00 H new ATOM 0 HB2 LYS A 50 20.991 4.061 -19.418 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.474 4.478 -18.582 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.637 4.064 -20.893 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.019 4.168 -21.557 1.00 0.00 H new ATOM 0 HD2 LYS A 50 23.121 6.311 -19.707 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.452 6.336 -21.428 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.640 6.400 -20.271 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.568 7.841 -20.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.078 7.283 -22.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.688 7.146 -22.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.789 5.750 -22.588 1.00 0.00 H new ATOM 828 N GLU A 51 24.613 2.500 -18.122 1.00 0.00 N ATOM 829 CA GLU A 51 26.004 2.033 -17.841 1.00 0.00 C ATOM 830 C GLU A 51 26.178 0.517 -17.481 1.00 0.00 C ATOM 831 O GLU A 51 27.268 -0.022 -17.694 1.00 0.00 O ATOM 832 CB GLU A 51 26.605 2.908 -16.703 1.00 0.00 C ATOM 833 CG GLU A 51 26.840 4.396 -17.053 1.00 0.00 C ATOM 834 CD GLU A 51 27.333 5.211 -15.854 1.00 0.00 C ATOM 835 OE1 GLU A 51 26.490 5.723 -15.084 1.00 0.00 O ATOM 836 OE2 GLU A 51 28.564 5.343 -15.677 1.00 0.00 O ATOM 0 H GLU A 51 24.298 3.236 -17.490 1.00 0.00 H new ATOM 0 HA GLU A 51 26.535 2.146 -18.786 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.940 2.857 -15.841 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.556 2.471 -16.398 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.570 4.465 -17.860 1.00 0.00 H new ATOM 0 HG3 GLU A 51 25.912 4.829 -17.425 1.00 0.00 H new ATOM 843 N LYS A 52 25.134 -0.161 -16.955 1.00 0.00 N ATOM 844 CA LYS A 52 25.156 -1.619 -16.667 1.00 0.00 C ATOM 845 C LYS A 52 24.971 -2.477 -17.959 1.00 0.00 C ATOM 846 O LYS A 52 25.847 -3.285 -18.277 1.00 0.00 O ATOM 847 CB LYS A 52 24.101 -1.888 -15.553 1.00 0.00 C ATOM 848 CG LYS A 52 24.026 -3.338 -15.034 1.00 0.00 C ATOM 849 CD LYS A 52 22.951 -3.525 -13.941 1.00 0.00 C ATOM 850 CE LYS A 52 22.771 -4.975 -13.453 1.00 0.00 C ATOM 851 NZ LYS A 52 23.911 -5.470 -12.656 1.00 0.00 N ATOM 0 H LYS A 52 24.248 0.285 -16.716 1.00 0.00 H new ATOM 0 HA LYS A 52 26.133 -1.931 -16.298 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.315 -1.231 -14.710 1.00 0.00 H new ATOM 0 HB3 LYS A 52 23.119 -1.607 -15.934 1.00 0.00 H new ATOM 0 HG2 LYS A 52 23.811 -4.007 -15.867 1.00 0.00 H new ATOM 0 HG3 LYS A 52 24.998 -3.627 -14.635 1.00 0.00 H new ATOM 0 HD2 LYS A 52 23.209 -2.898 -13.087 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.997 -3.164 -14.325 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.863 -5.039 -12.854 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.630 -5.626 -14.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.727 -6.450 -12.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.777 -5.439 -13.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 24.033 -4.870 -11.815 1.00 0.00 H new ATOM 865 N LEU A 53 23.835 -2.319 -18.667 1.00 0.00 N ATOM 866 CA LEU A 53 23.445 -3.175 -19.822 1.00 0.00 C ATOM 867 C LEU A 53 22.648 -2.437 -20.947 1.00 0.00 C ATOM 868 O LEU A 53 22.807 -2.807 -22.114 1.00 0.00 O ATOM 869 CB LEU A 53 22.820 -4.524 -19.355 1.00 0.00 C ATOM 870 CG LEU A 53 21.320 -4.543 -18.983 1.00 0.00 C ATOM 871 CD1 LEU A 53 20.802 -5.986 -18.829 1.00 0.00 C ATOM 872 CD2 LEU A 53 20.954 -3.716 -17.733 1.00 0.00 C ATOM 0 H LEU A 53 23.153 -1.590 -18.458 1.00 0.00 H new ATOM 0 HA LEU A 53 24.373 -3.434 -20.331 1.00 0.00 H new ATOM 0 HB2 LEU A 53 22.976 -5.255 -20.148 1.00 0.00 H new ATOM 0 HB3 LEU A 53 23.383 -4.869 -18.488 1.00 0.00 H new ATOM 0 HG LEU A 53 20.822 -4.057 -19.822 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.744 -5.967 -18.567 1.00 0.00 H new ATOM 0 HD12 LEU A 53 20.934 -6.522 -19.769 1.00 0.00 H new ATOM 0 HD13 LEU A 53 21.361 -6.491 -18.042 1.00 0.00 H new ATOM 0 HD21 LEU A 53 19.882 -3.789 -17.550 1.00 0.00 H new ATOM 0 HD22 LEU A 53 21.497 -4.102 -16.870 1.00 0.00 H new ATOM 0 HD23 LEU A 53 21.224 -2.673 -17.895 1.00 0.00 H new ATOM 884 N LYS A 54 21.761 -1.469 -20.609 1.00 0.00 N ATOM 885 CA LYS A 54 20.736 -0.889 -21.526 1.00 0.00 C ATOM 886 C LYS A 54 19.507 -1.838 -21.640 1.00 0.00 C ATOM 887 O LYS A 54 18.495 -1.606 -20.973 1.00 0.00 O ATOM 888 CB LYS A 54 21.216 -0.291 -22.886 1.00 0.00 C ATOM 889 CG LYS A 54 22.238 0.864 -22.781 1.00 0.00 C ATOM 890 CD LYS A 54 22.651 1.494 -24.126 1.00 0.00 C ATOM 891 CE LYS A 54 23.536 0.591 -25.007 1.00 0.00 C ATOM 892 NZ LYS A 54 23.939 1.277 -26.247 1.00 0.00 N ATOM 0 H LYS A 54 21.734 -1.059 -19.676 1.00 0.00 H new ATOM 0 HA LYS A 54 20.429 0.033 -21.032 1.00 0.00 H new ATOM 0 HB2 LYS A 54 21.658 -1.091 -23.479 1.00 0.00 H new ATOM 0 HB3 LYS A 54 20.344 0.067 -23.434 1.00 0.00 H new ATOM 0 HG2 LYS A 54 21.818 1.644 -22.146 1.00 0.00 H new ATOM 0 HG3 LYS A 54 23.133 0.493 -22.281 1.00 0.00 H new ATOM 0 HD2 LYS A 54 21.751 1.754 -24.683 1.00 0.00 H new ATOM 0 HD3 LYS A 54 23.184 2.424 -23.929 1.00 0.00 H new ATOM 0 HE2 LYS A 54 24.424 0.294 -24.449 1.00 0.00 H new ATOM 0 HE3 LYS A 54 22.994 -0.322 -25.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 24.534 0.642 -26.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 23.092 1.539 -26.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 24.477 2.135 -26.010 1.00 0.00 H new ATOM 906 N ILE A 55 19.612 -2.904 -22.458 1.00 0.00 N ATOM 907 CA ILE A 55 18.552 -3.940 -22.618 1.00 0.00 C ATOM 908 C ILE A 55 19.180 -5.368 -22.560 1.00 0.00 C ATOM 909 O ILE A 55 18.877 -6.113 -21.623 1.00 0.00 O ATOM 910 CB ILE A 55 17.518 -3.694 -23.788 1.00 0.00 C ATOM 911 CG1 ILE A 55 18.006 -2.949 -25.066 1.00 0.00 C ATOM 912 CG2 ILE A 55 16.255 -2.961 -23.270 1.00 0.00 C ATOM 913 CD1 ILE A 55 19.171 -3.605 -25.807 1.00 0.00 C ATOM 0 H ILE A 55 20.436 -3.079 -23.033 1.00 0.00 H new ATOM 0 HA ILE A 55 17.889 -3.847 -21.758 1.00 0.00 H new ATOM 0 HB ILE A 55 17.322 -4.716 -24.114 1.00 0.00 H new ATOM 0 HG12 ILE A 55 17.166 -2.857 -25.755 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.300 -1.938 -24.786 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.561 -2.805 -24.096 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.774 -3.565 -22.501 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.541 -1.997 -22.849 1.00 0.00 H new ATOM 0 HD11 ILE A 55 19.431 -3.006 -26.680 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.033 -3.672 -25.143 1.00 0.00 H new ATOM 0 HD13 ILE A 55 18.881 -4.606 -26.127 1.00 0.00 H new ATOM 925 N ASP A 56 20.035 -5.750 -23.530 1.00 0.00 N ATOM 926 CA ASP A 56 20.661 -7.101 -23.595 1.00 0.00 C ATOM 927 C ASP A 56 22.160 -6.970 -23.198 1.00 0.00 C ATOM 928 O ASP A 56 22.457 -7.073 -22.005 1.00 0.00 O ATOM 929 CB ASP A 56 20.367 -7.775 -24.968 1.00 0.00 C ATOM 930 CG ASP A 56 18.903 -8.180 -25.195 1.00 0.00 C ATOM 931 OD1 ASP A 56 18.513 -9.296 -24.785 1.00 0.00 O ATOM 932 OD2 ASP A 56 18.137 -7.381 -25.777 1.00 0.00 O ATOM 0 H ASP A 56 20.316 -5.136 -24.294 1.00 0.00 H new ATOM 0 HA ASP A 56 20.223 -7.791 -22.874 1.00 0.00 H new ATOM 0 HB2 ASP A 56 20.666 -7.091 -25.762 1.00 0.00 H new ATOM 0 HB3 ASP A 56 20.992 -8.663 -25.060 1.00 0.00 H new ATOM 937 N SER A 57 23.093 -6.741 -24.157 1.00 0.00 N ATOM 938 CA SER A 57 24.551 -6.573 -23.901 1.00 0.00 C ATOM 939 C SER A 57 25.223 -7.864 -23.372 1.00 0.00 C ATOM 940 O SER A 57 25.225 -8.104 -22.143 1.00 0.00 O ATOM 941 CB SER A 57 24.887 -5.294 -23.093 1.00 0.00 C ATOM 942 OG SER A 57 26.288 -5.052 -23.073 1.00 0.00 O ATOM 943 OXT SER A 57 25.750 -8.645 -24.197 1.00 0.00 O ATOM 0 H SER A 57 22.852 -6.666 -25.145 1.00 0.00 H new ATOM 0 HA SER A 57 25.012 -6.403 -24.874 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.374 -4.438 -23.532 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.519 -5.398 -22.072 1.00 0.00 H new ATOM 0 HG SER A 57 26.472 -4.239 -22.558 1.00 0.00 H new TER 949 SER A 57