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 Single : A 1 THR N :NH3+ -116:sc= 0.00572 (180deg=0) USER MOD Single : A 1 THR OG1 : rot -141:sc= 0.424 USER MOD Single : A 5 SER OG : rot 76:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 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) USER MOD Single : A 17 THR OG1 : rot 89:sc= 0.342 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -7:sc= 0.165 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=0.24) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -179:sc= 0 (180deg=-0.00344) USER MOD Single : A 43 SER OG : rot -15:sc= 0.185 USER MOD Single : A 45 THR OG1 : rot 165:sc= 0.489 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -132:sc= 0 (180deg=-0.578) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -41.231 -3.847 -11.572 1.00 0.00 N ATOM 2 CA THR A 1 -41.518 -2.949 -12.717 1.00 0.00 C ATOM 3 C THR A 1 -42.647 -3.551 -13.637 1.00 0.00 C ATOM 4 O THR A 1 -42.646 -4.775 -13.823 1.00 0.00 O ATOM 5 CB THR A 1 -40.203 -2.586 -13.469 1.00 0.00 C ATOM 6 OG1 THR A 1 -40.411 -1.434 -14.276 1.00 0.00 O ATOM 7 CG2 THR A 1 -39.625 -3.686 -14.372 1.00 0.00 C ATOM 0 H1 THR A 1 -41.478 -3.366 -10.683 1.00 0.00 H new ATOM 0 H2 THR A 1 -41.794 -4.717 -11.663 1.00 0.00 H new ATOM 0 H3 THR A 1 -40.219 -4.089 -11.565 1.00 0.00 H new ATOM 0 HA THR A 1 -41.920 -2.005 -12.349 1.00 0.00 H new ATOM 0 HB THR A 1 -39.476 -2.422 -12.673 1.00 0.00 H new ATOM 0 HG1 THR A 1 -39.937 -1.541 -15.127 1.00 0.00 H new ATOM 0 HG21 THR A 1 -38.712 -3.326 -14.845 1.00 0.00 H new ATOM 0 HG22 THR A 1 -39.399 -4.568 -13.772 1.00 0.00 H new ATOM 0 HG23 THR A 1 -40.353 -3.946 -15.140 1.00 0.00 H new ATOM 17 N PRO A 2 -43.576 -2.779 -14.284 1.00 0.00 N ATOM 18 CA PRO A 2 -44.606 -3.345 -15.197 1.00 0.00 C ATOM 19 C PRO A 2 -44.000 -3.648 -16.603 1.00 0.00 C ATOM 20 O PRO A 2 -43.733 -2.731 -17.386 1.00 0.00 O ATOM 21 CB PRO A 2 -45.675 -2.219 -15.205 1.00 0.00 C ATOM 22 CG PRO A 2 -44.891 -0.923 -14.989 1.00 0.00 C ATOM 23 CD PRO A 2 -43.738 -1.328 -14.068 1.00 0.00 C ATOM 0 HA PRO A 2 -45.019 -4.305 -14.889 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -46.218 -2.198 -16.150 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -46.412 -2.370 -14.416 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -44.524 -0.518 -15.932 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -45.513 -0.153 -14.533 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -42.825 -0.787 -14.316 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -43.967 -1.106 -13.026 1.00 0.00 H new ATOM 31 N ASP A 3 -43.740 -4.947 -16.875 1.00 0.00 N ATOM 32 CA ASP A 3 -42.981 -5.418 -18.074 1.00 0.00 C ATOM 33 C ASP A 3 -41.473 -5.065 -17.951 1.00 0.00 C ATOM 34 O ASP A 3 -40.717 -5.839 -17.353 1.00 0.00 O ATOM 35 CB ASP A 3 -43.650 -5.117 -19.453 1.00 0.00 C ATOM 36 CG ASP A 3 -44.987 -5.830 -19.696 1.00 0.00 C ATOM 37 OD1 ASP A 3 -44.978 -6.981 -20.187 1.00 0.00 O ATOM 38 OD2 ASP A 3 -46.049 -5.243 -19.395 1.00 0.00 O ATOM 0 H ASP A 3 -44.049 -5.708 -16.271 1.00 0.00 H new ATOM 0 HA ASP A 3 -43.032 -6.507 -18.071 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -43.809 -4.042 -19.536 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -42.956 -5.398 -20.245 1.00 0.00 H new ATOM 43 N VAL A 4 -41.056 -3.906 -18.490 1.00 0.00 N ATOM 44 CA VAL A 4 -39.647 -3.429 -18.422 1.00 0.00 C ATOM 45 C VAL A 4 -39.605 -1.944 -17.958 1.00 0.00 C ATOM 46 O VAL A 4 -39.011 -1.640 -16.921 1.00 0.00 O ATOM 47 CB VAL A 4 -38.868 -3.814 -19.734 1.00 0.00 C ATOM 48 CG1 VAL A 4 -38.975 -2.866 -20.954 1.00 0.00 C ATOM 49 CG2 VAL A 4 -37.387 -4.123 -19.440 1.00 0.00 C ATOM 0 H VAL A 4 -41.678 -3.268 -18.986 1.00 0.00 H new ATOM 0 HA VAL A 4 -39.082 -3.948 -17.648 1.00 0.00 H new ATOM 0 HB VAL A 4 -39.407 -4.705 -20.056 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -38.385 -3.266 -21.778 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -40.018 -2.784 -21.261 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -38.598 -1.880 -20.683 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -36.879 -4.385 -20.368 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -36.912 -3.245 -19.002 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -37.321 -4.958 -18.742 1.00 0.00 H new ATOM 59 N SER A 5 -40.228 -1.034 -18.736 1.00 0.00 N ATOM 60 CA SER A 5 -40.209 0.444 -18.502 1.00 0.00 C ATOM 61 C SER A 5 -38.780 1.073 -18.373 1.00 0.00 C ATOM 62 O SER A 5 -38.472 1.768 -17.398 1.00 0.00 O ATOM 63 CB SER A 5 -41.180 0.841 -17.356 1.00 0.00 C ATOM 64 OG SER A 5 -42.511 0.410 -17.621 1.00 0.00 O ATOM 0 H SER A 5 -40.769 -1.299 -19.559 1.00 0.00 H new ATOM 0 HA SER A 5 -40.587 0.900 -19.417 1.00 0.00 H new ATOM 0 HB2 SER A 5 -40.835 0.403 -16.419 1.00 0.00 H new ATOM 0 HB3 SER A 5 -41.167 1.923 -17.226 1.00 0.00 H new ATOM 0 HG SER A 5 -42.578 -0.556 -17.472 1.00 0.00 H new ATOM 70 N SER A 6 -37.900 0.779 -19.357 1.00 0.00 N ATOM 71 CA SER A 6 -36.436 1.054 -19.290 1.00 0.00 C ATOM 72 C SER A 6 -35.715 0.505 -18.012 1.00 0.00 C ATOM 73 O SER A 6 -35.164 1.277 -17.220 1.00 0.00 O ATOM 74 CB SER A 6 -36.131 2.534 -19.633 1.00 0.00 C ATOM 75 OG SER A 6 -34.732 2.747 -19.791 1.00 0.00 O ATOM 0 H SER A 6 -38.184 0.339 -20.232 1.00 0.00 H new ATOM 0 HA SER A 6 -35.973 0.455 -20.074 1.00 0.00 H new ATOM 0 HB2 SER A 6 -36.650 2.812 -20.550 1.00 0.00 H new ATOM 0 HB3 SER A 6 -36.513 3.180 -18.842 1.00 0.00 H new ATOM 0 HG SER A 6 -34.567 3.688 -20.008 1.00 0.00 H new ATOM 81 N ALA A 7 -35.724 -0.831 -17.833 1.00 0.00 N ATOM 82 CA ALA A 7 -34.930 -1.529 -16.786 1.00 0.00 C ATOM 83 C ALA A 7 -33.662 -2.173 -17.413 1.00 0.00 C ATOM 84 O ALA A 7 -32.549 -1.765 -17.072 1.00 0.00 O ATOM 85 CB ALA A 7 -35.821 -2.528 -16.019 1.00 0.00 C ATOM 0 H ALA A 7 -36.281 -1.463 -18.408 1.00 0.00 H new ATOM 0 HA ALA A 7 -34.572 -0.811 -16.048 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -35.228 -3.032 -15.256 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -36.643 -1.992 -15.545 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -36.222 -3.266 -16.714 1.00 0.00 H new ATOM 91 N LEU A 8 -33.822 -3.127 -18.355 1.00 0.00 N ATOM 92 CA LEU A 8 -32.718 -3.654 -19.192 1.00 0.00 C ATOM 93 C LEU A 8 -32.122 -2.662 -20.245 1.00 0.00 C ATOM 94 O LEU A 8 -30.939 -2.803 -20.567 1.00 0.00 O ATOM 95 CB LEU A 8 -33.241 -4.961 -19.863 1.00 0.00 C ATOM 96 CG LEU A 8 -33.141 -6.304 -19.083 1.00 0.00 C ATOM 97 CD1 LEU A 8 -31.687 -6.729 -18.792 1.00 0.00 C ATOM 98 CD2 LEU A 8 -34.000 -6.357 -17.805 1.00 0.00 C ATOM 0 H LEU A 8 -34.724 -3.557 -18.559 1.00 0.00 H new ATOM 0 HA LEU A 8 -31.867 -3.838 -18.536 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -34.290 -4.804 -20.114 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -32.703 -5.086 -20.803 1.00 0.00 H new ATOM 0 HG LEU A 8 -33.566 -7.037 -19.768 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -31.686 -7.672 -18.246 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -31.149 -6.853 -19.732 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -31.197 -5.962 -18.192 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -33.873 -7.326 -17.321 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -33.686 -5.567 -17.123 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -35.049 -6.216 -18.066 1.00 0.00 H new ATOM 110 N ASP A 9 -32.895 -1.678 -20.761 1.00 0.00 N ATOM 111 CA ASP A 9 -32.385 -0.628 -21.688 1.00 0.00 C ATOM 112 C ASP A 9 -31.297 0.302 -21.063 1.00 0.00 C ATOM 113 O ASP A 9 -30.219 0.428 -21.648 1.00 0.00 O ATOM 114 CB ASP A 9 -33.575 0.167 -22.292 1.00 0.00 C ATOM 115 CG ASP A 9 -33.223 0.967 -23.555 1.00 0.00 C ATOM 116 OD1 ASP A 9 -33.280 0.397 -24.666 1.00 0.00 O ATOM 117 OD2 ASP A 9 -32.879 2.164 -23.438 1.00 0.00 O ATOM 0 H ASP A 9 -33.889 -1.585 -20.550 1.00 0.00 H new ATOM 0 HA ASP A 9 -31.861 -1.141 -22.494 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -34.379 -0.529 -22.529 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -33.960 0.853 -21.537 1.00 0.00 H new ATOM 122 N LYS A 10 -31.553 0.908 -19.883 1.00 0.00 N ATOM 123 CA LYS A 10 -30.514 1.655 -19.111 1.00 0.00 C ATOM 124 C LYS A 10 -29.251 0.851 -18.652 1.00 0.00 C ATOM 125 O LYS A 10 -28.175 1.445 -18.554 1.00 0.00 O ATOM 126 CB LYS A 10 -31.168 2.445 -17.943 1.00 0.00 C ATOM 127 CG LYS A 10 -31.755 1.620 -16.773 1.00 0.00 C ATOM 128 CD LYS A 10 -32.370 2.499 -15.668 1.00 0.00 C ATOM 129 CE LYS A 10 -32.916 1.671 -14.491 1.00 0.00 C ATOM 130 NZ LYS A 10 -33.500 2.533 -13.450 1.00 0.00 N ATOM 0 H LYS A 10 -32.470 0.899 -19.437 1.00 0.00 H new ATOM 0 HA LYS A 10 -30.089 2.349 -19.836 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -30.421 3.125 -17.535 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -31.967 3.060 -18.357 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -32.518 0.944 -17.159 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -30.969 1.000 -16.342 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -31.616 3.194 -15.300 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -33.176 3.098 -16.091 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -33.672 0.975 -14.854 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -32.112 1.073 -14.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -33.858 1.943 -12.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -32.772 3.181 -13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -34.283 3.085 -13.855 1.00 0.00 H new ATOM 144 N LEU A 11 -29.368 -0.468 -18.389 1.00 0.00 N ATOM 145 CA LEU A 11 -28.210 -1.349 -18.055 1.00 0.00 C ATOM 146 C LEU A 11 -27.272 -1.683 -19.256 1.00 0.00 C ATOM 147 O LEU A 11 -26.053 -1.650 -19.072 1.00 0.00 O ATOM 148 CB LEU A 11 -28.712 -2.650 -17.367 1.00 0.00 C ATOM 149 CG LEU A 11 -29.375 -2.494 -15.968 1.00 0.00 C ATOM 150 CD1 LEU A 11 -30.077 -3.801 -15.555 1.00 0.00 C ATOM 151 CD2 LEU A 11 -28.377 -2.051 -14.877 1.00 0.00 C ATOM 0 H LEU A 11 -30.262 -0.959 -18.400 1.00 0.00 H new ATOM 0 HA LEU A 11 -27.590 -0.774 -17.367 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -29.430 -3.130 -18.032 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -27.866 -3.330 -17.268 1.00 0.00 H new ATOM 0 HG LEU A 11 -30.115 -1.699 -16.059 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -30.535 -3.674 -14.574 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -30.847 -4.047 -16.286 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -29.346 -4.609 -15.512 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -28.897 -1.959 -13.924 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -27.583 -2.793 -14.787 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -27.945 -1.088 -15.149 1.00 0.00 H new ATOM 163 N LYS A 12 -27.801 -1.987 -20.461 1.00 0.00 N ATOM 164 CA LYS A 12 -26.969 -2.115 -21.696 1.00 0.00 C ATOM 165 C LYS A 12 -26.346 -0.798 -22.256 1.00 0.00 C ATOM 166 O LYS A 12 -25.273 -0.868 -22.856 1.00 0.00 O ATOM 167 CB LYS A 12 -27.716 -2.924 -22.795 1.00 0.00 C ATOM 168 CG LYS A 12 -28.940 -2.248 -23.460 1.00 0.00 C ATOM 169 CD LYS A 12 -29.563 -3.089 -24.594 1.00 0.00 C ATOM 170 CE LYS A 12 -30.800 -2.461 -25.268 1.00 0.00 C ATOM 171 NZ LYS A 12 -30.498 -1.235 -26.033 1.00 0.00 N ATOM 0 H LYS A 12 -28.796 -2.149 -20.613 1.00 0.00 H new ATOM 0 HA LYS A 12 -26.094 -2.677 -21.368 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -27.000 -3.172 -23.578 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -28.047 -3.865 -22.356 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -29.698 -2.058 -22.700 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -28.639 -1.280 -23.859 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -28.803 -3.264 -25.355 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -29.842 -4.063 -24.192 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -31.251 -3.195 -25.937 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -31.541 -2.229 -24.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -31.373 -0.867 -26.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -30.095 -0.519 -25.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -29.813 -1.455 -26.784 1.00 0.00 H new ATOM 185 N GLU A 13 -26.987 0.375 -22.074 1.00 0.00 N ATOM 186 CA GLU A 13 -26.400 1.688 -22.460 1.00 0.00 C ATOM 187 C GLU A 13 -25.340 2.200 -21.435 1.00 0.00 C ATOM 188 O GLU A 13 -24.235 2.549 -21.859 1.00 0.00 O ATOM 189 CB GLU A 13 -27.511 2.747 -22.728 1.00 0.00 C ATOM 190 CG GLU A 13 -28.528 2.457 -23.862 1.00 0.00 C ATOM 191 CD GLU A 13 -27.911 2.309 -25.257 1.00 0.00 C ATOM 192 OE1 GLU A 13 -27.682 3.337 -25.931 1.00 0.00 O ATOM 193 OE2 GLU A 13 -27.653 1.161 -25.682 1.00 0.00 O ATOM 0 H GLU A 13 -27.917 0.446 -21.660 1.00 0.00 H new ATOM 0 HA GLU A 13 -25.862 1.530 -23.395 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -28.071 2.886 -21.803 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -27.023 3.696 -22.951 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -29.069 1.542 -23.620 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -29.261 3.263 -23.888 1.00 0.00 H new ATOM 200 N PHE A 14 -25.636 2.189 -20.113 1.00 0.00 N ATOM 201 CA PHE A 14 -24.598 2.314 -19.050 1.00 0.00 C ATOM 202 C PHE A 14 -23.974 0.907 -18.771 1.00 0.00 C ATOM 203 O PHE A 14 -24.323 0.212 -17.811 1.00 0.00 O ATOM 204 CB PHE A 14 -25.244 2.991 -17.804 1.00 0.00 C ATOM 205 CG PHE A 14 -24.247 3.434 -16.716 1.00 0.00 C ATOM 206 CD1 PHE A 14 -23.543 4.636 -16.856 1.00 0.00 C ATOM 207 CD2 PHE A 14 -24.035 2.643 -15.581 1.00 0.00 C ATOM 208 CE1 PHE A 14 -22.634 5.035 -15.879 1.00 0.00 C ATOM 209 CE2 PHE A 14 -23.122 3.043 -14.608 1.00 0.00 C ATOM 210 CZ PHE A 14 -22.423 4.237 -14.757 1.00 0.00 C ATOM 0 H PHE A 14 -26.585 2.095 -19.752 1.00 0.00 H new ATOM 0 HA PHE A 14 -23.770 2.952 -19.358 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -25.809 3.862 -18.134 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -25.958 2.297 -17.361 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -23.705 5.256 -17.725 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.581 1.719 -15.459 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -22.093 5.963 -15.991 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -22.956 2.426 -13.737 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.716 4.545 -14.001 1.00 0.00 H new ATOM 220 N GLY A 15 -23.058 0.509 -19.663 1.00 0.00 N ATOM 221 CA GLY A 15 -22.554 -0.876 -19.756 1.00 0.00 C ATOM 222 C GLY A 15 -21.657 -1.001 -21.005 1.00 0.00 C ATOM 223 O GLY A 15 -20.442 -1.160 -20.872 1.00 0.00 O ATOM 0 H GLY A 15 -22.640 1.140 -20.347 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.989 -1.132 -18.860 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -23.387 -1.576 -19.819 1.00 0.00 H new ATOM 227 N ASN A 16 -22.260 -0.866 -22.205 1.00 0.00 N ATOM 228 CA ASN A 16 -21.527 -0.635 -23.483 1.00 0.00 C ATOM 229 C ASN A 16 -20.638 0.655 -23.533 1.00 0.00 C ATOM 230 O ASN A 16 -19.541 0.593 -24.098 1.00 0.00 O ATOM 231 CB ASN A 16 -22.569 -0.641 -24.641 1.00 0.00 C ATOM 232 CG ASN A 16 -21.979 -0.805 -26.056 1.00 0.00 C ATOM 233 OD1 ASN A 16 -21.677 0.173 -26.739 1.00 0.00 O ATOM 234 ND2 ASN A 16 -21.802 -2.033 -26.521 1.00 0.00 N ATOM 0 H ASN A 16 -23.272 -0.913 -22.323 1.00 0.00 H new ATOM 0 HA ASN A 16 -20.804 -1.445 -23.583 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -23.279 -1.449 -24.465 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -23.132 0.291 -24.606 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -21.412 -2.174 -27.453 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -22.056 -2.837 -25.947 1.00 0.00 H new ATOM 241 N THR A 17 -21.085 1.794 -22.952 1.00 0.00 N ATOM 242 CA THR A 17 -20.265 3.037 -22.825 1.00 0.00 C ATOM 243 C THR A 17 -18.972 2.803 -21.977 1.00 0.00 C ATOM 244 O THR A 17 -17.880 2.970 -22.523 1.00 0.00 O ATOM 245 CB THR A 17 -21.140 4.232 -22.331 1.00 0.00 C ATOM 246 OG1 THR A 17 -22.252 4.416 -23.205 1.00 0.00 O ATOM 247 CG2 THR A 17 -20.401 5.583 -22.260 1.00 0.00 C ATOM 0 H THR A 17 -22.021 1.884 -22.557 1.00 0.00 H new ATOM 0 HA THR A 17 -19.904 3.313 -23.815 1.00 0.00 H new ATOM 0 HB THR A 17 -21.438 3.957 -21.319 1.00 0.00 H new ATOM 0 HG1 THR A 17 -23.002 3.863 -22.901 1.00 0.00 H new ATOM 0 HG21 THR A 17 -21.086 6.354 -21.907 1.00 0.00 H new ATOM 0 HG22 THR A 17 -19.560 5.502 -21.571 1.00 0.00 H new ATOM 0 HG23 THR A 17 -20.034 5.849 -23.251 1.00 0.00 H new ATOM 255 N LEU A 18 -19.089 2.364 -20.705 1.00 0.00 N ATOM 256 CA LEU A 18 -17.922 1.909 -19.887 1.00 0.00 C ATOM 257 C LEU A 18 -17.407 0.445 -20.135 1.00 0.00 C ATOM 258 O LEU A 18 -16.843 -0.184 -19.236 1.00 0.00 O ATOM 259 CB LEU A 18 -18.176 2.237 -18.388 1.00 0.00 C ATOM 260 CG LEU A 18 -19.354 1.493 -17.687 1.00 0.00 C ATOM 261 CD1 LEU A 18 -19.011 1.151 -16.225 1.00 0.00 C ATOM 262 CD2 LEU A 18 -20.665 2.303 -17.735 1.00 0.00 C ATOM 0 H LEU A 18 -19.981 2.312 -20.212 1.00 0.00 H new ATOM 0 HA LEU A 18 -17.069 2.486 -20.246 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -17.262 2.020 -17.835 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -18.354 3.309 -18.302 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.505 0.568 -18.243 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.853 0.633 -15.765 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.131 0.508 -16.199 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.806 2.069 -15.675 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -21.456 1.745 -17.235 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.521 3.259 -17.231 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.946 2.479 -18.773 1.00 0.00 H new ATOM 274 N GLU A 19 -17.513 -0.049 -21.380 1.00 0.00 N ATOM 275 CA GLU A 19 -16.699 -1.173 -21.908 1.00 0.00 C ATOM 276 C GLU A 19 -15.421 -0.591 -22.586 1.00 0.00 C ATOM 277 O GLU A 19 -14.322 -0.795 -22.064 1.00 0.00 O ATOM 278 CB GLU A 19 -17.592 -2.084 -22.793 1.00 0.00 C ATOM 279 CG GLU A 19 -17.032 -3.468 -23.188 1.00 0.00 C ATOM 280 CD GLU A 19 -15.881 -3.458 -24.202 1.00 0.00 C ATOM 281 OE1 GLU A 19 -16.096 -3.042 -25.362 1.00 0.00 O ATOM 282 OE2 GLU A 19 -14.756 -3.864 -23.840 1.00 0.00 O ATOM 0 H GLU A 19 -18.174 0.322 -22.063 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.331 -1.832 -21.121 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.535 -2.240 -22.270 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.822 -1.541 -23.709 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.690 -3.972 -22.284 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.847 -4.065 -23.598 1.00 0.00 H new ATOM 289 N ASP A 20 -15.570 0.158 -23.703 1.00 0.00 N ATOM 290 CA ASP A 20 -14.454 0.919 -24.331 1.00 0.00 C ATOM 291 C ASP A 20 -13.916 2.115 -23.476 1.00 0.00 C ATOM 292 O ASP A 20 -12.699 2.295 -23.434 1.00 0.00 O ATOM 293 CB ASP A 20 -14.885 1.351 -25.758 1.00 0.00 C ATOM 294 CG ASP A 20 -13.729 1.826 -26.653 1.00 0.00 C ATOM 295 OD1 ASP A 20 -13.049 0.974 -27.267 1.00 0.00 O ATOM 296 OD2 ASP A 20 -13.492 3.052 -26.734 1.00 0.00 O ATOM 0 H ASP A 20 -16.458 0.255 -24.195 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.595 0.251 -24.392 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -15.383 0.512 -26.244 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.618 2.153 -25.676 1.00 0.00 H new ATOM 301 N LYS A 21 -14.779 2.905 -22.800 1.00 0.00 N ATOM 302 CA LYS A 21 -14.338 3.976 -21.857 1.00 0.00 C ATOM 303 C LYS A 21 -13.559 3.478 -20.597 1.00 0.00 C ATOM 304 O LYS A 21 -12.601 4.148 -20.209 1.00 0.00 O ATOM 305 CB LYS A 21 -15.543 4.881 -21.471 1.00 0.00 C ATOM 306 CG LYS A 21 -15.220 6.283 -20.909 1.00 0.00 C ATOM 307 CD LYS A 21 -14.602 7.257 -21.932 1.00 0.00 C ATOM 308 CE LYS A 21 -14.518 8.692 -21.388 1.00 0.00 C ATOM 309 NZ LYS A 21 -13.896 9.605 -22.364 1.00 0.00 N ATOM 0 H LYS A 21 -15.792 2.826 -22.886 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.600 4.563 -22.404 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.168 5.007 -22.355 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.141 4.350 -20.731 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.137 6.723 -20.516 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.533 6.174 -20.070 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.603 6.913 -22.202 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.198 7.250 -22.844 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.518 9.048 -21.142 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.941 8.698 -20.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.855 10.564 -21.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.932 9.278 -22.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.461 9.617 -23.237 1.00 0.00 H new ATOM 323 N ALA A 22 -13.911 2.317 -19.990 1.00 0.00 N ATOM 324 CA ALA A 22 -13.047 1.656 -18.969 1.00 0.00 C ATOM 325 C ALA A 22 -11.641 1.214 -19.480 1.00 0.00 C ATOM 326 O ALA A 22 -10.651 1.505 -18.807 1.00 0.00 O ATOM 327 CB ALA A 22 -13.804 0.479 -18.336 1.00 0.00 C ATOM 0 H ALA A 22 -14.780 1.819 -20.185 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.833 2.416 -18.218 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.171 -0.002 -17.591 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.713 0.846 -17.858 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.067 -0.243 -19.109 1.00 0.00 H new ATOM 333 N ARG A 23 -11.550 0.586 -20.674 1.00 0.00 N ATOM 334 CA ARG A 23 -10.268 0.368 -21.413 1.00 0.00 C ATOM 335 C ARG A 23 -9.396 1.638 -21.708 1.00 0.00 C ATOM 336 O ARG A 23 -8.168 1.517 -21.699 1.00 0.00 O ATOM 337 CB ARG A 23 -10.572 -0.380 -22.741 1.00 0.00 C ATOM 338 CG ARG A 23 -10.984 -1.868 -22.604 1.00 0.00 C ATOM 339 CD ARG A 23 -11.755 -2.442 -23.810 1.00 0.00 C ATOM 340 NE ARG A 23 -11.000 -2.391 -25.088 1.00 0.00 N ATOM 341 CZ ARG A 23 -11.565 -2.359 -26.311 1.00 0.00 C ATOM 342 NH1 ARG A 23 -12.878 -2.403 -26.529 1.00 0.00 N ATOM 343 NH2 ARG A 23 -10.768 -2.279 -27.359 1.00 0.00 N ATOM 0 H ARG A 23 -12.364 0.211 -21.162 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.652 -0.220 -20.733 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.370 0.151 -23.259 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.688 -0.325 -23.376 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.086 -2.466 -22.448 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.600 -1.979 -21.712 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.022 -3.477 -23.598 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.688 -1.890 -23.928 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.981 -2.379 -25.036 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.524 -2.465 -25.742 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.238 -2.375 -27.483 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.757 -2.243 -27.229 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.163 -2.253 -28.299 1.00 0.00 H new ATOM 357 N GLU A 24 -9.994 2.832 -21.927 1.00 0.00 N ATOM 358 CA GLU A 24 -9.249 4.128 -21.947 1.00 0.00 C ATOM 359 C GLU A 24 -8.561 4.509 -20.595 1.00 0.00 C ATOM 360 O GLU A 24 -7.428 4.996 -20.631 1.00 0.00 O ATOM 361 CB GLU A 24 -10.145 5.304 -22.440 1.00 0.00 C ATOM 362 CG GLU A 24 -10.714 5.221 -23.875 1.00 0.00 C ATOM 363 CD GLU A 24 -9.656 5.200 -24.985 1.00 0.00 C ATOM 364 OE1 GLU A 24 -9.175 6.283 -25.385 1.00 0.00 O ATOM 365 OE2 GLU A 24 -9.301 4.097 -25.458 1.00 0.00 O ATOM 0 H GLU A 24 -10.995 2.932 -22.094 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.443 3.961 -22.661 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.985 5.398 -21.751 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.565 6.223 -22.362 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.325 4.322 -23.957 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.375 6.072 -24.039 1.00 0.00 H new ATOM 372 N LEU A 25 -9.198 4.263 -19.426 1.00 0.00 N ATOM 373 CA LEU A 25 -8.520 4.349 -18.100 1.00 0.00 C ATOM 374 C LEU A 25 -7.415 3.267 -17.842 1.00 0.00 C ATOM 375 O LEU A 25 -6.441 3.596 -17.161 1.00 0.00 O ATOM 376 CB LEU A 25 -9.546 4.370 -16.925 1.00 0.00 C ATOM 377 CG LEU A 25 -10.402 5.645 -16.665 1.00 0.00 C ATOM 378 CD1 LEU A 25 -9.567 6.928 -16.471 1.00 0.00 C ATOM 379 CD2 LEU A 25 -11.531 5.869 -17.688 1.00 0.00 C ATOM 0 H LEU A 25 -10.183 4.002 -19.369 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.991 5.302 -18.137 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.237 3.542 -17.082 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.995 4.156 -16.009 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.885 5.431 -15.712 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.233 7.773 -16.295 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.904 6.804 -15.615 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.973 7.115 -17.366 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.077 6.777 -17.434 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.103 5.970 -18.686 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.212 5.018 -17.670 1.00 0.00 H new ATOM 391 N ILE A 26 -7.519 2.026 -18.373 1.00 0.00 N ATOM 392 CA ILE A 26 -6.425 1.001 -18.302 1.00 0.00 C ATOM 393 C ILE A 26 -5.151 1.444 -19.103 1.00 0.00 C ATOM 394 O ILE A 26 -4.061 1.424 -18.527 1.00 0.00 O ATOM 395 CB ILE A 26 -6.921 -0.443 -18.700 1.00 0.00 C ATOM 396 CG1 ILE A 26 -8.244 -0.935 -18.035 1.00 0.00 C ATOM 397 CG2 ILE A 26 -5.831 -1.531 -18.514 1.00 0.00 C ATOM 398 CD1 ILE A 26 -8.309 -0.933 -16.500 1.00 0.00 C ATOM 0 H ILE A 26 -8.353 1.699 -18.861 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.126 0.936 -17.256 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.145 -0.308 -19.758 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.059 -0.314 -18.407 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.436 -1.952 -18.379 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.233 -2.502 -18.804 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.970 -1.293 -19.138 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.524 -1.563 -17.469 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.284 -1.298 -16.177 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.528 -1.581 -16.102 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.161 0.082 -16.131 1.00 0.00 H new ATOM 410 N SER A 27 -5.284 1.858 -20.384 1.00 0.00 N ATOM 411 CA SER A 27 -4.173 2.468 -21.175 1.00 0.00 C ATOM 412 C SER A 27 -3.511 3.748 -20.565 1.00 0.00 C ATOM 413 O SER A 27 -2.281 3.834 -20.542 1.00 0.00 O ATOM 414 CB SER A 27 -4.635 2.687 -22.634 1.00 0.00 C ATOM 415 OG SER A 27 -5.695 3.635 -22.733 1.00 0.00 O ATOM 0 H SER A 27 -6.159 1.782 -20.903 1.00 0.00 H new ATOM 0 HA SER A 27 -3.359 1.744 -21.143 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.790 3.027 -23.232 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.961 1.736 -23.055 1.00 0.00 H new ATOM 0 HG SER A 27 -6.004 3.875 -21.835 1.00 0.00 H new ATOM 421 N ARG A 28 -4.311 4.695 -20.029 1.00 0.00 N ATOM 422 CA ARG A 28 -3.819 5.836 -19.200 1.00 0.00 C ATOM 423 C ARG A 28 -3.000 5.440 -17.924 1.00 0.00 C ATOM 424 O ARG A 28 -1.979 6.073 -17.652 1.00 0.00 O ATOM 425 CB ARG A 28 -5.057 6.713 -18.854 1.00 0.00 C ATOM 426 CG ARG A 28 -4.760 8.071 -18.181 1.00 0.00 C ATOM 427 CD ARG A 28 -6.052 8.828 -17.819 1.00 0.00 C ATOM 428 NE ARG A 28 -5.745 10.110 -17.143 1.00 0.00 N ATOM 429 CZ ARG A 28 -6.676 10.941 -16.632 1.00 0.00 C ATOM 430 NH1 ARG A 28 -7.987 10.708 -16.676 1.00 0.00 N ATOM 431 NH2 ARG A 28 -6.262 12.052 -16.052 1.00 0.00 N ATOM 0 H ARG A 28 -5.323 4.697 -20.155 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.085 6.388 -19.787 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.613 6.900 -19.773 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.711 6.140 -18.197 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.170 7.908 -17.279 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.156 8.683 -18.850 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.631 9.019 -18.723 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.670 8.209 -17.169 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.766 10.382 -17.059 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.339 9.858 -17.116 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.638 11.380 -16.269 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.265 12.260 -16.001 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.939 12.703 -15.655 1.00 0.00 H new ATOM 445 N ILE A 29 -3.435 4.411 -17.169 1.00 0.00 N ATOM 446 CA ILE A 29 -2.703 3.851 -15.992 1.00 0.00 C ATOM 447 C ILE A 29 -1.305 3.272 -16.364 1.00 0.00 C ATOM 448 O ILE A 29 -0.285 3.781 -15.895 1.00 0.00 O ATOM 449 CB ILE A 29 -3.673 2.882 -15.211 1.00 0.00 C ATOM 450 CG1 ILE A 29 -4.703 3.649 -14.333 1.00 0.00 C ATOM 451 CG2 ILE A 29 -3.008 1.746 -14.383 1.00 0.00 C ATOM 452 CD1 ILE A 29 -4.118 4.422 -13.142 1.00 0.00 C ATOM 0 H ILE A 29 -4.316 3.932 -17.354 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.433 4.648 -15.299 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.188 2.372 -16.026 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.243 4.351 -14.968 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.434 2.934 -13.955 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.780 1.151 -13.895 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.423 1.108 -15.045 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.354 2.181 -13.628 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.923 4.918 -12.600 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.605 3.729 -12.475 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.411 5.168 -13.504 1.00 0.00 H new ATOM 464 N LYS A 30 -1.280 2.227 -17.204 1.00 0.00 N ATOM 465 CA LYS A 30 -0.016 1.565 -17.663 1.00 0.00 C ATOM 466 C LYS A 30 0.992 2.357 -18.564 1.00 0.00 C ATOM 467 O LYS A 30 2.071 1.848 -18.882 1.00 0.00 O ATOM 468 CB LYS A 30 -0.376 0.174 -18.253 1.00 0.00 C ATOM 469 CG LYS A 30 -1.077 0.188 -19.636 1.00 0.00 C ATOM 470 CD LYS A 30 -1.810 -1.118 -20.003 1.00 0.00 C ATOM 471 CE LYS A 30 -0.927 -2.353 -20.277 1.00 0.00 C ATOM 472 NZ LYS A 30 -0.123 -2.232 -21.508 1.00 0.00 N ATOM 0 H LYS A 30 -2.124 1.806 -17.592 1.00 0.00 H new ATOM 0 HA LYS A 30 0.587 1.493 -16.758 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.539 -0.412 -18.337 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.022 -0.344 -17.544 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.794 1.008 -19.656 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.332 0.398 -20.403 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.496 -1.363 -19.192 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.417 -0.930 -20.888 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.260 -2.510 -19.429 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.562 -3.236 -20.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.447 -3.092 -21.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.755 -2.111 -22.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.506 -1.407 -21.432 1.00 0.00 H new ATOM 486 N GLN A 31 0.631 3.591 -18.931 1.00 0.00 N ATOM 487 CA GLN A 31 1.507 4.560 -19.656 1.00 0.00 C ATOM 488 C GLN A 31 1.872 5.864 -18.875 1.00 0.00 C ATOM 489 O GLN A 31 2.834 6.538 -19.251 1.00 0.00 O ATOM 490 CB GLN A 31 0.896 4.913 -21.037 1.00 0.00 C ATOM 491 CG GLN A 31 0.823 3.744 -22.048 1.00 0.00 C ATOM 492 CD GLN A 31 0.072 4.110 -23.338 1.00 0.00 C ATOM 493 OE1 GLN A 31 -1.155 4.044 -23.403 1.00 0.00 O ATOM 494 NE2 GLN A 31 0.784 4.496 -24.387 1.00 0.00 N ATOM 0 H GLN A 31 -0.297 3.967 -18.735 1.00 0.00 H new ATOM 0 HA GLN A 31 2.455 4.036 -19.776 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.111 5.300 -20.882 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.482 5.718 -21.480 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.835 3.426 -22.301 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.330 2.894 -21.576 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.801 4.547 -24.322 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.315 4.742 -25.259 1.00 0.00 H new ATOM 503 N SER A 32 1.110 6.224 -17.830 1.00 0.00 N ATOM 504 CA SER A 32 1.303 7.453 -17.019 1.00 0.00 C ATOM 505 C SER A 32 0.859 7.144 -15.561 1.00 0.00 C ATOM 506 O SER A 32 -0.201 6.554 -15.335 1.00 0.00 O ATOM 507 CB SER A 32 0.492 8.621 -17.632 1.00 0.00 C ATOM 508 OG SER A 32 0.709 9.828 -16.914 1.00 0.00 O ATOM 0 H SER A 32 0.322 5.660 -17.512 1.00 0.00 H new ATOM 0 HA SER A 32 2.350 7.756 -17.014 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.778 8.758 -18.675 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.570 8.375 -17.623 1.00 0.00 H new ATOM 0 HG SER A 32 0.187 10.550 -17.322 1.00 0.00 H new ATOM 514 N GLU A 33 1.692 7.546 -14.583 1.00 0.00 N ATOM 515 CA GLU A 33 1.523 7.222 -13.130 1.00 0.00 C ATOM 516 C GLU A 33 1.805 5.763 -12.635 1.00 0.00 C ATOM 517 O GLU A 33 2.190 5.595 -11.475 1.00 0.00 O ATOM 518 CB GLU A 33 0.367 7.952 -12.384 1.00 0.00 C ATOM 519 CG GLU A 33 -1.057 7.367 -12.511 1.00 0.00 C ATOM 520 CD GLU A 33 -2.047 7.972 -11.515 1.00 0.00 C ATOM 521 OE1 GLU A 33 -2.659 9.017 -11.826 1.00 0.00 O ATOM 522 OE2 GLU A 33 -2.218 7.403 -10.413 1.00 0.00 O ATOM 0 H GLU A 33 2.518 8.114 -14.770 1.00 0.00 H new ATOM 0 HA GLU A 33 2.427 7.718 -12.778 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.621 7.986 -11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.338 8.982 -12.738 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.423 7.534 -13.524 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.014 6.288 -12.362 1.00 0.00 H new ATOM 529 N LEU A 34 1.720 4.733 -13.503 1.00 0.00 N ATOM 530 CA LEU A 34 2.638 3.560 -13.415 1.00 0.00 C ATOM 531 C LEU A 34 4.074 3.941 -13.892 1.00 0.00 C ATOM 532 O LEU A 34 5.045 3.581 -13.221 1.00 0.00 O ATOM 533 CB LEU A 34 2.100 2.342 -14.223 1.00 0.00 C ATOM 534 CG LEU A 34 2.949 1.033 -14.146 1.00 0.00 C ATOM 535 CD1 LEU A 34 2.900 0.357 -12.763 1.00 0.00 C ATOM 536 CD2 LEU A 34 2.571 0.034 -15.252 1.00 0.00 C ATOM 0 H LEU A 34 1.041 4.682 -14.262 1.00 0.00 H new ATOM 0 HA LEU A 34 2.686 3.265 -12.367 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.092 2.118 -13.874 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.017 2.635 -15.270 1.00 0.00 H new ATOM 0 HG LEU A 34 3.980 1.348 -14.308 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.510 -0.546 -12.778 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.285 1.043 -12.009 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.870 0.095 -12.522 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.186 -0.861 -15.160 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.520 -0.237 -15.154 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.739 0.491 -16.227 1.00 0.00 H new ATOM 548 N SER A 35 4.191 4.644 -15.041 1.00 0.00 N ATOM 549 CA SER A 35 5.482 5.084 -15.601 1.00 0.00 C ATOM 550 C SER A 35 6.014 6.309 -14.801 1.00 0.00 C ATOM 551 O SER A 35 6.380 6.113 -13.638 1.00 0.00 O ATOM 552 CB SER A 35 5.310 5.253 -17.131 1.00 0.00 C ATOM 553 OG SER A 35 4.953 4.032 -17.773 1.00 0.00 O ATOM 0 H SER A 35 3.388 4.921 -15.605 1.00 0.00 H new ATOM 0 HA SER A 35 6.277 4.347 -15.485 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.543 6.002 -17.328 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.239 5.628 -17.560 1.00 0.00 H new ATOM 0 HG SER A 35 4.853 4.186 -18.736 1.00 0.00 H new ATOM 559 N ALA A 36 6.082 7.528 -15.386 1.00 0.00 N ATOM 560 CA ALA A 36 6.761 8.724 -14.772 1.00 0.00 C ATOM 561 C ALA A 36 8.312 8.589 -14.626 1.00 0.00 C ATOM 562 O ALA A 36 9.061 9.309 -15.289 1.00 0.00 O ATOM 563 CB ALA A 36 6.048 9.224 -13.497 1.00 0.00 C ATOM 0 H ALA A 36 5.671 7.724 -16.299 1.00 0.00 H new ATOM 0 HA ALA A 36 6.647 9.522 -15.506 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.580 10.087 -13.097 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.025 9.510 -13.741 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.035 8.429 -12.752 1.00 0.00 H new ATOM 569 N LYS A 37 8.784 7.639 -13.796 1.00 0.00 N ATOM 570 CA LYS A 37 10.178 7.119 -13.834 1.00 0.00 C ATOM 571 C LYS A 37 10.494 6.289 -15.123 1.00 0.00 C ATOM 572 O LYS A 37 11.573 6.467 -15.693 1.00 0.00 O ATOM 573 CB LYS A 37 10.496 6.285 -12.560 1.00 0.00 C ATOM 574 CG LYS A 37 10.694 7.052 -11.226 1.00 0.00 C ATOM 575 CD LYS A 37 9.472 7.759 -10.595 1.00 0.00 C ATOM 576 CE LYS A 37 8.294 6.827 -10.249 1.00 0.00 C ATOM 577 NZ LYS A 37 7.181 7.572 -9.634 1.00 0.00 N ATOM 0 H LYS A 37 8.211 7.204 -13.073 1.00 0.00 H new ATOM 0 HA LYS A 37 10.826 7.995 -13.860 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.687 5.568 -12.418 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.401 5.709 -12.753 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.085 6.347 -10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.466 7.804 -11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.794 8.268 -9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.119 8.527 -11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.945 6.329 -11.153 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.633 6.048 -9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.404 6.916 -9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.510 8.027 -8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.842 8.299 -10.296 1.00 0.00 H new ATOM 591 N MET A 38 9.573 5.427 -15.612 1.00 0.00 N ATOM 592 CA MET A 38 9.699 4.783 -16.954 1.00 0.00 C ATOM 593 C MET A 38 9.475 5.708 -18.210 1.00 0.00 C ATOM 594 O MET A 38 9.500 5.191 -19.332 1.00 0.00 O ATOM 595 CB MET A 38 8.701 3.591 -17.064 1.00 0.00 C ATOM 596 CG MET A 38 8.722 2.475 -16.004 1.00 0.00 C ATOM 597 SD MET A 38 10.387 1.803 -15.761 1.00 0.00 S ATOM 598 CE MET A 38 10.700 0.934 -17.313 1.00 0.00 C ATOM 0 H MET A 38 8.732 5.157 -15.102 1.00 0.00 H new ATOM 0 HA MET A 38 10.745 4.478 -16.991 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.695 4.010 -17.075 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.862 3.121 -18.034 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.347 2.866 -15.058 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.048 1.674 -16.307 1.00 0.00 H new ATOM 0 HE1 MET A 38 11.684 0.466 -17.276 1.00 0.00 H new ATOM 0 HE2 MET A 38 9.939 0.168 -17.461 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.667 1.643 -18.140 1.00 0.00 H new ATOM 608 N ARG A 39 9.290 7.040 -18.062 1.00 0.00 N ATOM 609 CA ARG A 39 8.898 7.942 -19.179 1.00 0.00 C ATOM 610 C ARG A 39 9.755 9.242 -19.165 1.00 0.00 C ATOM 611 O ARG A 39 10.605 9.405 -20.046 1.00 0.00 O ATOM 612 CB ARG A 39 7.358 8.106 -19.081 1.00 0.00 C ATOM 613 CG ARG A 39 6.662 9.093 -20.044 1.00 0.00 C ATOM 614 CD ARG A 39 5.117 9.039 -19.981 1.00 0.00 C ATOM 615 NE ARG A 39 4.565 9.163 -18.598 1.00 0.00 N ATOM 616 CZ ARG A 39 4.210 10.324 -18.011 1.00 0.00 C ATOM 617 NH1 ARG A 39 4.163 11.494 -18.642 1.00 0.00 N ATOM 618 NH2 ARG A 39 3.890 10.298 -16.730 1.00 0.00 N ATOM 0 H ARG A 39 9.407 7.522 -17.171 1.00 0.00 H new ATOM 0 HA ARG A 39 9.113 7.540 -20.169 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.909 7.124 -19.231 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.121 8.413 -18.062 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.991 10.106 -19.812 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.983 8.879 -21.064 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.709 9.840 -20.598 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.778 8.098 -20.415 1.00 0.00 H new ATOM 0 HE ARG A 39 4.448 8.306 -18.058 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.405 11.550 -19.631 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.885 12.335 -18.136 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.916 9.418 -16.216 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.617 11.158 -16.255 1.00 0.00 H new ATOM 632 N GLU A 40 9.549 10.152 -18.188 1.00 0.00 N ATOM 633 CA GLU A 40 10.329 11.418 -18.061 1.00 0.00 C ATOM 634 C GLU A 40 11.831 11.198 -17.692 1.00 0.00 C ATOM 635 O GLU A 40 12.705 11.662 -18.430 1.00 0.00 O ATOM 636 CB GLU A 40 9.577 12.376 -17.102 1.00 0.00 C ATOM 637 CG GLU A 40 10.082 13.834 -17.121 1.00 0.00 C ATOM 638 CD GLU A 40 9.346 14.725 -16.119 1.00 0.00 C ATOM 639 OE1 GLU A 40 9.793 14.825 -14.954 1.00 0.00 O ATOM 640 OE2 GLU A 40 8.314 15.329 -16.489 1.00 0.00 O ATOM 0 H GLU A 40 8.841 10.037 -17.463 1.00 0.00 H new ATOM 0 HA GLU A 40 10.388 11.891 -19.041 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.518 12.369 -17.360 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.660 11.990 -16.086 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.149 13.848 -16.898 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.960 14.244 -18.124 1.00 0.00 H new ATOM 647 N TRP A 41 12.124 10.457 -16.603 1.00 0.00 N ATOM 648 CA TRP A 41 13.490 9.932 -16.314 1.00 0.00 C ATOM 649 C TRP A 41 14.066 8.960 -17.395 1.00 0.00 C ATOM 650 O TRP A 41 15.281 8.999 -17.603 1.00 0.00 O ATOM 651 CB TRP A 41 13.459 9.295 -14.896 1.00 0.00 C ATOM 652 CG TRP A 41 14.765 8.708 -14.336 1.00 0.00 C ATOM 653 CD1 TRP A 41 15.618 9.333 -13.403 1.00 0.00 C ATOM 654 CD2 TRP A 41 15.310 7.448 -14.551 1.00 0.00 C ATOM 655 NE1 TRP A 41 16.682 8.494 -13.026 1.00 0.00 N ATOM 656 CE2 TRP A 41 16.469 7.330 -13.746 1.00 0.00 C ATOM 657 CE3 TRP A 41 14.914 6.379 -15.399 1.00 0.00 C ATOM 658 CZ2 TRP A 41 17.232 6.136 -13.770 1.00 0.00 C ATOM 659 CZ3 TRP A 41 15.687 5.219 -15.416 1.00 0.00 C ATOM 660 CH2 TRP A 41 16.826 5.097 -14.610 1.00 0.00 C ATOM 0 H TRP A 41 11.431 10.203 -15.899 1.00 0.00 H new ATOM 0 HA TRP A 41 14.188 10.768 -16.347 1.00 0.00 H new ATOM 0 HB2 TRP A 41 13.108 10.054 -14.197 1.00 0.00 H new ATOM 0 HB3 TRP A 41 12.713 8.500 -14.904 1.00 0.00 H new ATOM 0 HD1 TRP A 41 15.472 10.334 -13.024 1.00 0.00 H new ATOM 0 HE1 TRP A 41 17.438 8.696 -12.372 1.00 0.00 H new ATOM 0 HE3 TRP A 41 14.033 6.463 -16.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 18.111 6.032 -13.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.403 4.401 -16.061 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.401 4.183 -14.639 1.00 0.00 H new ATOM 671 N PHE A 42 13.258 8.090 -18.051 1.00 0.00 N ATOM 672 CA PHE A 42 13.766 7.156 -19.106 1.00 0.00 C ATOM 673 C PHE A 42 14.413 7.873 -20.335 1.00 0.00 C ATOM 674 O PHE A 42 15.492 7.483 -20.782 1.00 0.00 O ATOM 675 CB PHE A 42 12.672 6.160 -19.583 1.00 0.00 C ATOM 676 CG PHE A 42 13.212 4.835 -20.148 1.00 0.00 C ATOM 677 CD1 PHE A 42 13.525 3.783 -19.278 1.00 0.00 C ATOM 678 CD2 PHE A 42 13.403 4.666 -21.524 1.00 0.00 C ATOM 679 CE1 PHE A 42 14.023 2.582 -19.778 1.00 0.00 C ATOM 680 CE2 PHE A 42 13.899 3.464 -22.021 1.00 0.00 C ATOM 681 CZ PHE A 42 14.208 2.423 -21.149 1.00 0.00 C ATOM 0 H PHE A 42 12.257 8.010 -17.875 1.00 0.00 H new ATOM 0 HA PHE A 42 14.562 6.597 -18.614 1.00 0.00 H new ATOM 0 HB2 PHE A 42 12.010 5.939 -18.745 1.00 0.00 H new ATOM 0 HB3 PHE A 42 12.066 6.646 -20.348 1.00 0.00 H new ATOM 0 HD1 PHE A 42 13.380 3.903 -18.215 1.00 0.00 H new ATOM 0 HD2 PHE A 42 13.165 5.471 -22.203 1.00 0.00 H new ATOM 0 HE1 PHE A 42 14.265 1.775 -19.103 1.00 0.00 H new ATOM 0 HE2 PHE A 42 14.044 3.339 -23.084 1.00 0.00 H new ATOM 0 HZ PHE A 42 14.592 1.491 -21.537 1.00 0.00 H new ATOM 691 N SER A 43 13.751 8.930 -20.840 1.00 0.00 N ATOM 692 CA SER A 43 14.314 9.834 -21.883 1.00 0.00 C ATOM 693 C SER A 43 15.585 10.646 -21.469 1.00 0.00 C ATOM 694 O SER A 43 16.516 10.758 -22.272 1.00 0.00 O ATOM 695 CB SER A 43 13.193 10.747 -22.435 1.00 0.00 C ATOM 696 OG SER A 43 12.666 11.622 -21.442 1.00 0.00 O ATOM 0 H SER A 43 12.810 9.189 -20.542 1.00 0.00 H new ATOM 0 HA SER A 43 14.690 9.182 -22.671 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.584 11.337 -23.264 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.389 10.129 -22.834 1.00 0.00 H new ATOM 0 HG SER A 43 12.950 11.318 -20.554 1.00 0.00 H new ATOM 702 N GLU A 44 15.632 11.172 -20.228 1.00 0.00 N ATOM 703 CA GLU A 44 16.839 11.824 -19.645 1.00 0.00 C ATOM 704 C GLU A 44 18.083 10.895 -19.447 1.00 0.00 C ATOM 705 O GLU A 44 19.204 11.320 -19.743 1.00 0.00 O ATOM 706 CB GLU A 44 16.442 12.497 -18.296 1.00 0.00 C ATOM 707 CG GLU A 44 15.510 13.729 -18.384 1.00 0.00 C ATOM 708 CD GLU A 44 16.168 14.975 -18.985 1.00 0.00 C ATOM 709 OE1 GLU A 44 16.853 15.715 -18.244 1.00 0.00 O ATOM 710 OE2 GLU A 44 16.001 15.221 -20.200 1.00 0.00 O ATOM 0 H GLU A 44 14.834 11.160 -19.593 1.00 0.00 H new ATOM 0 HA GLU A 44 17.169 12.558 -20.380 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.957 11.747 -17.671 1.00 0.00 H new ATOM 0 HB3 GLU A 44 17.356 12.797 -17.783 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.638 13.468 -18.983 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.149 13.969 -17.384 1.00 0.00 H new ATOM 717 N THR A 45 17.893 9.665 -18.931 1.00 0.00 N ATOM 718 CA THR A 45 18.996 8.763 -18.498 1.00 0.00 C ATOM 719 C THR A 45 19.503 7.850 -19.661 1.00 0.00 C ATOM 720 O THR A 45 20.688 7.932 -19.977 1.00 0.00 O ATOM 721 CB THR A 45 18.572 8.018 -17.194 1.00 0.00 C ATOM 722 OG1 THR A 45 18.095 8.938 -16.213 1.00 0.00 O ATOM 723 CG2 THR A 45 19.695 7.216 -16.521 1.00 0.00 C ATOM 0 H THR A 45 16.966 9.260 -18.799 1.00 0.00 H new ATOM 0 HA THR A 45 19.879 9.348 -18.242 1.00 0.00 H new ATOM 0 HB THR A 45 17.800 7.326 -17.529 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.610 8.450 -15.515 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.309 6.732 -15.623 1.00 0.00 H new ATOM 0 HG22 THR A 45 20.065 6.458 -17.211 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.510 7.888 -16.250 1.00 0.00 H new ATOM 731 N PHE A 46 18.635 7.015 -20.278 1.00 0.00 N ATOM 732 CA PHE A 46 18.973 5.891 -21.189 1.00 0.00 C ATOM 733 C PHE A 46 20.096 6.169 -22.227 1.00 0.00 C ATOM 734 O PHE A 46 20.060 7.137 -22.989 1.00 0.00 O ATOM 735 CB PHE A 46 17.646 5.423 -21.849 1.00 0.00 C ATOM 736 CG PHE A 46 17.620 4.046 -22.536 1.00 0.00 C ATOM 737 CD1 PHE A 46 17.820 2.880 -21.789 1.00 0.00 C ATOM 738 CD2 PHE A 46 17.267 3.940 -23.887 1.00 0.00 C ATOM 739 CE1 PHE A 46 17.686 1.629 -22.385 1.00 0.00 C ATOM 740 CE2 PHE A 46 17.117 2.687 -24.478 1.00 0.00 C ATOM 741 CZ PHE A 46 17.327 1.533 -23.727 1.00 0.00 C ATOM 0 H PHE A 46 17.628 7.110 -20.149 1.00 0.00 H new ATOM 0 HA PHE A 46 19.421 5.098 -20.590 1.00 0.00 H new ATOM 0 HB2 PHE A 46 16.873 5.426 -21.080 1.00 0.00 H new ATOM 0 HB3 PHE A 46 17.362 6.170 -22.590 1.00 0.00 H new ATOM 0 HD1 PHE A 46 18.080 2.951 -20.743 1.00 0.00 H new ATOM 0 HD2 PHE A 46 17.110 4.833 -24.473 1.00 0.00 H new ATOM 0 HE1 PHE A 46 17.860 0.734 -21.807 1.00 0.00 H new ATOM 0 HE2 PHE A 46 16.838 2.611 -25.519 1.00 0.00 H new ATOM 0 HZ PHE A 46 17.211 0.562 -24.186 1.00 0.00 H new ATOM 751 N GLN A 47 21.094 5.292 -22.095 1.00 0.00 N ATOM 752 CA GLN A 47 22.536 5.521 -22.443 1.00 0.00 C ATOM 753 C GLN A 47 23.405 5.486 -21.145 1.00 0.00 C ATOM 754 O GLN A 47 24.347 4.692 -21.080 1.00 0.00 O ATOM 755 CB GLN A 47 22.958 6.695 -23.380 1.00 0.00 C ATOM 756 CG GLN A 47 22.533 6.563 -24.865 1.00 0.00 C ATOM 757 CD GLN A 47 22.946 7.780 -25.708 1.00 0.00 C ATOM 758 OE1 GLN A 47 24.064 7.856 -26.216 1.00 0.00 O ATOM 759 NE2 GLN A 47 22.059 8.750 -25.877 1.00 0.00 N ATOM 0 H GLN A 47 20.933 4.354 -21.728 1.00 0.00 H new ATOM 0 HA GLN A 47 22.730 4.684 -23.113 1.00 0.00 H new ATOM 0 HB2 GLN A 47 22.539 7.620 -22.983 1.00 0.00 H new ATOM 0 HB3 GLN A 47 24.043 6.794 -23.340 1.00 0.00 H new ATOM 0 HG2 GLN A 47 22.980 5.664 -25.289 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.452 6.438 -24.920 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.135 8.676 -25.451 1.00 0.00 H new ATOM 0 HE22 GLN A 47 22.300 9.570 -26.433 1.00 0.00 H new ATOM 768 N LYS A 48 23.085 6.292 -20.108 1.00 0.00 N ATOM 769 CA LYS A 48 23.590 6.074 -18.721 1.00 0.00 C ATOM 770 C LYS A 48 23.056 4.779 -18.022 1.00 0.00 C ATOM 771 O LYS A 48 23.829 4.158 -17.288 1.00 0.00 O ATOM 772 CB LYS A 48 23.322 7.316 -17.827 1.00 0.00 C ATOM 773 CG LYS A 48 23.973 8.662 -18.237 1.00 0.00 C ATOM 774 CD LYS A 48 25.509 8.683 -18.391 1.00 0.00 C ATOM 775 CE LYS A 48 26.295 8.321 -17.115 1.00 0.00 C ATOM 776 NZ LYS A 48 27.750 8.396 -17.338 1.00 0.00 N ATOM 0 H LYS A 48 22.476 7.105 -20.200 1.00 0.00 H new ATOM 0 HA LYS A 48 24.663 5.925 -18.837 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.244 7.467 -17.780 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.655 7.078 -16.817 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.534 8.975 -19.184 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.697 9.411 -17.495 1.00 0.00 H new ATOM 0 HD2 LYS A 48 25.790 7.988 -19.182 1.00 0.00 H new ATOM 0 HD3 LYS A 48 25.813 9.677 -18.718 1.00 0.00 H new ATOM 0 HE2 LYS A 48 26.014 8.998 -16.309 1.00 0.00 H new ATOM 0 HE3 LYS A 48 26.026 7.315 -16.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 28.249 8.147 -16.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 28.021 7.731 -18.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 28.009 9.363 -17.620 1.00 0.00 H new ATOM 790 N VAL A 49 21.796 4.338 -18.267 1.00 0.00 N ATOM 791 CA VAL A 49 21.337 2.944 -17.951 1.00 0.00 C ATOM 792 C VAL A 49 22.098 1.843 -18.761 1.00 0.00 C ATOM 793 O VAL A 49 22.295 0.753 -18.224 1.00 0.00 O ATOM 794 CB VAL A 49 19.798 2.701 -18.155 1.00 0.00 C ATOM 795 CG1 VAL A 49 19.275 1.435 -17.427 1.00 0.00 C ATOM 796 CG2 VAL A 49 18.858 3.861 -17.744 1.00 0.00 C ATOM 0 H VAL A 49 21.072 4.923 -18.683 1.00 0.00 H new ATOM 0 HA VAL A 49 21.569 2.857 -16.889 1.00 0.00 H new ATOM 0 HB VAL A 49 19.754 2.591 -19.239 1.00 0.00 H new ATOM 0 HG11 VAL A 49 18.206 1.326 -17.609 1.00 0.00 H new ATOM 0 HG12 VAL A 49 19.799 0.556 -17.804 1.00 0.00 H new ATOM 0 HG13 VAL A 49 19.453 1.532 -16.356 1.00 0.00 H new ATOM 0 HG21 VAL A 49 17.823 3.575 -17.932 1.00 0.00 H new ATOM 0 HG22 VAL A 49 18.988 4.077 -16.684 1.00 0.00 H new ATOM 0 HG23 VAL A 49 19.100 4.749 -18.327 1.00 0.00 H new ATOM 806 N LYS A 50 22.480 2.076 -20.035 1.00 0.00 N ATOM 807 CA LYS A 50 23.243 1.074 -20.829 1.00 0.00 C ATOM 808 C LYS A 50 24.702 0.835 -20.336 1.00 0.00 C ATOM 809 O LYS A 50 25.126 -0.320 -20.252 1.00 0.00 O ATOM 810 CB LYS A 50 23.254 1.401 -22.345 1.00 0.00 C ATOM 811 CG LYS A 50 21.878 1.429 -23.041 1.00 0.00 C ATOM 812 CD LYS A 50 21.981 1.918 -24.500 1.00 0.00 C ATOM 813 CE LYS A 50 20.610 2.143 -25.153 1.00 0.00 C ATOM 814 NZ LYS A 50 20.737 2.614 -26.543 1.00 0.00 N ATOM 0 H LYS A 50 22.277 2.940 -20.537 1.00 0.00 H new ATOM 0 HA LYS A 50 22.696 0.146 -20.667 1.00 0.00 H new ATOM 0 HB2 LYS A 50 23.729 2.372 -22.483 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.880 0.665 -22.851 1.00 0.00 H new ATOM 0 HG2 LYS A 50 21.442 0.430 -23.023 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.204 2.082 -22.486 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.548 2.849 -24.527 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.540 1.187 -25.084 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.042 1.213 -25.135 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.046 2.873 -24.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.790 2.754 -26.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.257 3.514 -26.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.253 1.906 -27.104 1.00 0.00 H new ATOM 828 N GLU A 51 25.434 1.902 -19.956 1.00 0.00 N ATOM 829 CA GLU A 51 26.622 1.802 -19.062 1.00 0.00 C ATOM 830 C GLU A 51 26.352 1.120 -17.678 1.00 0.00 C ATOM 831 O GLU A 51 27.200 0.350 -17.223 1.00 0.00 O ATOM 832 CB GLU A 51 27.218 3.221 -18.837 1.00 0.00 C ATOM 833 CG GLU A 51 27.841 3.896 -20.079 1.00 0.00 C ATOM 834 CD GLU A 51 28.314 5.322 -19.787 1.00 0.00 C ATOM 835 OE1 GLU A 51 29.405 5.492 -19.200 1.00 0.00 O ATOM 836 OE2 GLU A 51 27.593 6.281 -20.142 1.00 0.00 O ATOM 0 H GLU A 51 25.226 2.855 -20.254 1.00 0.00 H new ATOM 0 HA GLU A 51 27.326 1.149 -19.577 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.430 3.868 -18.453 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.982 3.154 -18.062 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.684 3.300 -20.430 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.108 3.916 -20.885 1.00 0.00 H new ATOM 843 N LYS A 52 25.198 1.400 -17.031 1.00 0.00 N ATOM 844 CA LYS A 52 24.824 0.833 -15.711 1.00 0.00 C ATOM 845 C LYS A 52 23.702 -0.247 -15.856 1.00 0.00 C ATOM 846 O LYS A 52 22.596 -0.080 -15.331 1.00 0.00 O ATOM 847 CB LYS A 52 24.417 2.056 -14.840 1.00 0.00 C ATOM 848 CG LYS A 52 24.239 1.768 -13.340 1.00 0.00 C ATOM 849 CD LYS A 52 23.659 2.976 -12.587 1.00 0.00 C ATOM 850 CE LYS A 52 23.519 2.710 -11.078 1.00 0.00 C ATOM 851 NZ LYS A 52 22.960 3.877 -10.376 1.00 0.00 N ATOM 0 H LYS A 52 24.493 2.031 -17.412 1.00 0.00 H new ATOM 0 HA LYS A 52 25.644 0.295 -15.235 1.00 0.00 H new ATOM 0 HB2 LYS A 52 25.174 2.831 -14.956 1.00 0.00 H new ATOM 0 HB3 LYS A 52 23.483 2.462 -15.228 1.00 0.00 H new ATOM 0 HG2 LYS A 52 23.579 0.910 -13.211 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.202 1.498 -12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.302 3.842 -12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 52 22.682 3.226 -13.002 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.876 1.845 -10.918 1.00 0.00 H new ATOM 0 HE3 LYS A 52 24.494 2.464 -10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.878 3.665 -9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.587 4.696 -10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.019 4.096 -10.761 1.00 0.00 H new ATOM 865 N LEU A 53 23.991 -1.361 -16.569 1.00 0.00 N ATOM 866 CA LEU A 53 23.050 -2.516 -16.730 1.00 0.00 C ATOM 867 C LEU A 53 22.363 -3.032 -15.420 1.00 0.00 C ATOM 868 O LEU A 53 21.132 -3.096 -15.374 1.00 0.00 O ATOM 869 CB LEU A 53 23.691 -3.707 -17.501 1.00 0.00 C ATOM 870 CG LEU A 53 24.306 -3.438 -18.909 1.00 0.00 C ATOM 871 CD1 LEU A 53 25.803 -3.059 -18.837 1.00 0.00 C ATOM 872 CD2 LEU A 53 24.137 -4.654 -19.843 1.00 0.00 C ATOM 0 H LEU A 53 24.880 -1.493 -17.052 1.00 0.00 H new ATOM 0 HA LEU A 53 22.248 -2.084 -17.328 1.00 0.00 H new ATOM 0 HB2 LEU A 53 24.476 -4.126 -16.871 1.00 0.00 H new ATOM 0 HB3 LEU A 53 22.928 -4.477 -17.614 1.00 0.00 H new ATOM 0 HG LEU A 53 23.756 -2.590 -19.316 1.00 0.00 H new ATOM 0 HD11 LEU A 53 26.182 -2.882 -19.843 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.921 -2.154 -18.241 1.00 0.00 H new ATOM 0 HD13 LEU A 53 26.363 -3.873 -18.376 1.00 0.00 H new ATOM 0 HD21 LEU A 53 24.577 -4.430 -20.815 1.00 0.00 H new ATOM 0 HD22 LEU A 53 24.638 -5.519 -19.408 1.00 0.00 H new ATOM 0 HD23 LEU A 53 23.076 -4.873 -19.967 1.00 0.00 H new ATOM 884 N LYS A 54 23.153 -3.337 -14.368 1.00 0.00 N ATOM 885 CA LYS A 54 22.644 -3.488 -12.981 1.00 0.00 C ATOM 886 C LYS A 54 23.294 -2.361 -12.127 1.00 0.00 C ATOM 887 O LYS A 54 22.647 -1.330 -11.912 1.00 0.00 O ATOM 888 CB LYS A 54 22.830 -4.936 -12.435 1.00 0.00 C ATOM 889 CG LYS A 54 21.990 -6.054 -13.100 1.00 0.00 C ATOM 890 CD LYS A 54 20.448 -5.944 -13.023 1.00 0.00 C ATOM 891 CE LYS A 54 19.803 -6.108 -11.630 1.00 0.00 C ATOM 892 NZ LYS A 54 19.873 -4.890 -10.799 1.00 0.00 N ATOM 0 H LYS A 54 24.159 -3.486 -14.452 1.00 0.00 H new ATOM 0 HA LYS A 54 21.562 -3.361 -12.938 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.883 -5.201 -12.531 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.600 -4.928 -11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.270 -6.101 -14.152 1.00 0.00 H new ATOM 0 HG3 LYS A 54 22.280 -7.003 -12.650 1.00 0.00 H new ATOM 0 HD2 LYS A 54 20.158 -4.971 -13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 54 20.021 -6.697 -13.685 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.758 -6.394 -11.754 1.00 0.00 H new ATOM 0 HE3 LYS A 54 20.297 -6.925 -11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 20.216 -5.137 -9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 20.525 -4.208 -11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.927 -4.465 -10.725 1.00 0.00 H new ATOM 906 N ILE A 55 24.555 -2.532 -11.677 1.00 0.00 N ATOM 907 CA ILE A 55 25.334 -1.484 -10.965 1.00 0.00 C ATOM 908 C ILE A 55 26.766 -1.510 -11.578 1.00 0.00 C ATOM 909 O ILE A 55 27.542 -2.443 -11.342 1.00 0.00 O ATOM 910 CB ILE A 55 25.299 -1.556 -9.398 1.00 0.00 C ATOM 911 CG1 ILE A 55 25.858 -2.826 -8.688 1.00 0.00 C ATOM 912 CG2 ILE A 55 23.921 -1.149 -8.818 1.00 0.00 C ATOM 913 CD1 ILE A 55 25.150 -4.158 -8.976 1.00 0.00 C ATOM 0 H ILE A 55 25.069 -3.405 -11.796 1.00 0.00 H new ATOM 0 HA ILE A 55 24.862 -0.514 -11.125 1.00 0.00 H new ATOM 0 HB ILE A 55 26.051 -0.807 -9.148 1.00 0.00 H new ATOM 0 HG12 ILE A 55 26.907 -2.934 -8.964 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.828 -2.653 -7.612 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.950 -1.216 -7.730 1.00 0.00 H new ATOM 0 HG22 ILE A 55 23.690 -0.125 -9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.152 -1.819 -9.202 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.639 -4.958 -8.420 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.106 -4.089 -8.670 1.00 0.00 H new ATOM 0 HD13 ILE A 55 25.202 -4.374 -10.043 1.00 0.00 H new ATOM 925 N ASP A 56 27.086 -0.493 -12.401 1.00 0.00 N ATOM 926 CA ASP A 56 28.381 -0.407 -13.130 1.00 0.00 C ATOM 927 C ASP A 56 28.720 1.099 -13.353 1.00 0.00 C ATOM 928 O ASP A 56 29.412 1.672 -12.505 1.00 0.00 O ATOM 929 CB ASP A 56 28.376 -1.333 -14.386 1.00 0.00 C ATOM 930 CG ASP A 56 29.716 -1.420 -15.129 1.00 0.00 C ATOM 931 OD1 ASP A 56 30.587 -2.214 -14.712 1.00 0.00 O ATOM 932 OD2 ASP A 56 29.901 -0.693 -16.129 1.00 0.00 O ATOM 0 H ASP A 56 26.462 0.293 -12.584 1.00 0.00 H new ATOM 0 HA ASP A 56 29.213 -0.806 -12.549 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.082 -2.336 -14.079 1.00 0.00 H new ATOM 0 HB3 ASP A 56 27.615 -0.976 -15.080 1.00 0.00 H new ATOM 937 N SER A 57 28.265 1.730 -14.463 1.00 0.00 N ATOM 938 CA SER A 57 28.577 3.140 -14.831 1.00 0.00 C ATOM 939 C SER A 57 30.007 3.272 -15.400 1.00 0.00 C ATOM 940 O SER A 57 30.989 3.186 -14.627 1.00 0.00 O ATOM 941 CB SER A 57 28.260 4.227 -13.772 1.00 0.00 C ATOM 942 OG SER A 57 26.907 4.149 -13.342 1.00 0.00 O ATOM 943 OXT SER A 57 30.153 3.463 -16.628 1.00 0.00 O ATOM 0 H SER A 57 27.660 1.268 -15.142 1.00 0.00 H new ATOM 0 HA SER A 57 27.858 3.364 -15.619 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.924 4.108 -12.916 1.00 0.00 H new ATOM 0 HB3 SER A 57 28.454 5.214 -14.191 1.00 0.00 H new ATOM 0 HG SER A 57 26.736 4.845 -12.673 1.00 0.00 H new TER 949 SER A 57