USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=15 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+ -156:sc= -0.357 (180deg=-1.06) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -28:sc= 0.333 USER MOD Single : A 6 SER OG : rot 58:sc= 0.0383 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -147:sc= 0 (180deg=-1.39) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 17 THR OG1 : rot -8:sc= 0.516 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -12:sc= 0.244 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=-0.043) USER MOD Single : A 32 SER OG : rot 4:sc= 0.113 USER MOD Single : A 35 SER OG : rot 50:sc= 0.279 USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00923) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -19:sc= 0.295 USER MOD Single : A 45 THR OG1 : rot 158:sc= 0.497 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.356) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00678) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -41.980 -0.667 -14.378 1.00 0.00 N ATOM 2 CA THR A 1 -42.823 -1.649 -15.103 1.00 0.00 C ATOM 3 C THR A 1 -42.189 -2.370 -16.350 1.00 0.00 C ATOM 4 O THR A 1 -42.498 -3.560 -16.476 1.00 0.00 O ATOM 5 CB THR A 1 -44.281 -1.134 -15.297 1.00 0.00 C ATOM 6 OG1 THR A 1 -45.125 -2.221 -15.665 1.00 0.00 O ATOM 7 CG2 THR A 1 -44.487 -0.005 -16.323 1.00 0.00 C ATOM 0 H1 THR A 1 -42.319 -0.574 -13.399 1.00 0.00 H new ATOM 0 H2 THR A 1 -40.993 -0.994 -14.373 1.00 0.00 H new ATOM 0 H3 THR A 1 -42.036 0.256 -14.853 1.00 0.00 H new ATOM 0 HA THR A 1 -42.880 -2.498 -14.422 1.00 0.00 H new ATOM 0 HB THR A 1 -44.534 -0.699 -14.330 1.00 0.00 H new ATOM 0 HG1 THR A 1 -46.042 -1.897 -15.785 1.00 0.00 H new ATOM 0 HG21 THR A 1 -45.543 0.262 -16.363 1.00 0.00 H new ATOM 0 HG22 THR A 1 -43.903 0.867 -16.027 1.00 0.00 H new ATOM 0 HG23 THR A 1 -44.161 -0.343 -17.306 1.00 0.00 H new ATOM 17 N PRO A 2 -41.352 -1.796 -17.273 1.00 0.00 N ATOM 18 CA PRO A 2 -40.745 -2.553 -18.406 1.00 0.00 C ATOM 19 C PRO A 2 -39.791 -3.713 -17.981 1.00 0.00 C ATOM 20 O PRO A 2 -39.097 -3.625 -16.962 1.00 0.00 O ATOM 21 CB PRO A 2 -39.980 -1.454 -19.200 1.00 0.00 C ATOM 22 CG PRO A 2 -40.379 -0.088 -18.632 1.00 0.00 C ATOM 23 CD PRO A 2 -40.967 -0.377 -17.254 1.00 0.00 C ATOM 0 HA PRO A 2 -41.512 -3.071 -18.981 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -38.904 -1.602 -19.113 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -40.225 -1.511 -20.261 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -39.516 0.574 -18.560 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -41.108 0.407 -19.274 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -40.238 -0.180 -16.468 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -41.829 0.260 -17.055 1.00 0.00 H new ATOM 31 N ASP A 3 -39.777 -4.796 -18.780 1.00 0.00 N ATOM 32 CA ASP A 3 -39.039 -6.043 -18.445 1.00 0.00 C ATOM 33 C ASP A 3 -37.523 -5.900 -18.752 1.00 0.00 C ATOM 34 O ASP A 3 -37.114 -5.647 -19.890 1.00 0.00 O ATOM 35 CB ASP A 3 -39.701 -7.219 -19.212 1.00 0.00 C ATOM 36 CG ASP A 3 -39.177 -8.613 -18.836 1.00 0.00 C ATOM 37 OD1 ASP A 3 -39.685 -9.209 -17.859 1.00 0.00 O ATOM 38 OD2 ASP A 3 -38.249 -9.112 -19.511 1.00 0.00 O ATOM 0 H ASP A 3 -40.271 -4.839 -19.671 1.00 0.00 H new ATOM 0 HA ASP A 3 -39.101 -6.245 -17.376 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -40.776 -7.191 -19.034 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -39.551 -7.067 -20.281 1.00 0.00 H new ATOM 43 N VAL A 4 -36.712 -6.107 -17.701 1.00 0.00 N ATOM 44 CA VAL A 4 -35.231 -5.966 -17.764 1.00 0.00 C ATOM 45 C VAL A 4 -34.551 -7.174 -18.489 1.00 0.00 C ATOM 46 O VAL A 4 -35.176 -8.172 -18.865 1.00 0.00 O ATOM 47 CB VAL A 4 -34.687 -5.615 -16.330 1.00 0.00 C ATOM 48 CG1 VAL A 4 -34.843 -6.736 -15.273 1.00 0.00 C ATOM 49 CG2 VAL A 4 -33.241 -5.074 -16.293 1.00 0.00 C ATOM 0 H VAL A 4 -37.056 -6.377 -16.780 1.00 0.00 H new ATOM 0 HA VAL A 4 -34.952 -5.128 -18.402 1.00 0.00 H new ATOM 0 HB VAL A 4 -35.355 -4.801 -16.050 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -34.438 -6.396 -14.320 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -35.899 -6.979 -15.153 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -34.302 -7.623 -15.601 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -32.958 -4.862 -15.262 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -32.563 -5.819 -16.709 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -33.180 -4.159 -16.882 1.00 0.00 H new ATOM 59 N SER A 5 -33.256 -6.978 -18.772 1.00 0.00 N ATOM 60 CA SER A 5 -32.510 -7.688 -19.853 1.00 0.00 C ATOM 61 C SER A 5 -32.863 -7.358 -21.342 1.00 0.00 C ATOM 62 O SER A 5 -32.088 -7.708 -22.237 1.00 0.00 O ATOM 63 CB SER A 5 -32.318 -9.199 -19.565 1.00 0.00 C ATOM 64 OG SER A 5 -31.254 -9.743 -20.338 1.00 0.00 O ATOM 0 H SER A 5 -32.677 -6.315 -18.257 1.00 0.00 H new ATOM 0 HA SER A 5 -31.529 -7.218 -19.786 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.112 -9.346 -18.505 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.242 -9.734 -19.787 1.00 0.00 H new ATOM 0 HG SER A 5 -31.158 -9.231 -21.168 1.00 0.00 H new ATOM 70 N SER A 6 -33.965 -6.630 -21.590 1.00 0.00 N ATOM 71 CA SER A 6 -34.251 -5.976 -22.901 1.00 0.00 C ATOM 72 C SER A 6 -35.326 -4.841 -22.779 1.00 0.00 C ATOM 73 O SER A 6 -36.343 -4.850 -23.481 1.00 0.00 O ATOM 74 CB SER A 6 -34.627 -7.040 -23.989 1.00 0.00 C ATOM 75 OG SER A 6 -35.800 -7.763 -23.628 1.00 0.00 O ATOM 0 H SER A 6 -34.692 -6.471 -20.892 1.00 0.00 H new ATOM 0 HA SER A 6 -33.334 -5.485 -23.228 1.00 0.00 H new ATOM 0 HB2 SER A 6 -34.785 -6.543 -24.946 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.797 -7.734 -24.123 1.00 0.00 H new ATOM 0 HG SER A 6 -36.545 -7.138 -23.505 1.00 0.00 H new ATOM 81 N ALA A 7 -35.070 -3.830 -21.922 1.00 0.00 N ATOM 82 CA ALA A 7 -35.881 -2.581 -21.819 1.00 0.00 C ATOM 83 C ALA A 7 -35.120 -1.603 -20.882 1.00 0.00 C ATOM 84 O ALA A 7 -34.557 -0.616 -21.365 1.00 0.00 O ATOM 85 CB ALA A 7 -37.361 -2.763 -21.403 1.00 0.00 C ATOM 0 H ALA A 7 -34.286 -3.851 -21.270 1.00 0.00 H new ATOM 0 HA ALA A 7 -35.978 -2.174 -22.825 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -37.850 -1.790 -21.361 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -37.869 -3.393 -22.133 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -37.408 -3.235 -20.421 1.00 0.00 H new ATOM 91 N LEU A 8 -35.033 -1.913 -19.567 1.00 0.00 N ATOM 92 CA LEU A 8 -34.021 -1.324 -18.652 1.00 0.00 C ATOM 93 C LEU A 8 -32.527 -1.758 -18.887 1.00 0.00 C ATOM 94 O LEU A 8 -31.649 -1.196 -18.229 1.00 0.00 O ATOM 95 CB LEU A 8 -34.490 -1.653 -17.198 1.00 0.00 C ATOM 96 CG LEU A 8 -35.452 -0.670 -16.469 1.00 0.00 C ATOM 97 CD1 LEU A 8 -34.847 0.731 -16.253 1.00 0.00 C ATOM 98 CD2 LEU A 8 -36.849 -0.580 -17.112 1.00 0.00 C ATOM 0 H LEU A 8 -35.659 -2.576 -19.110 1.00 0.00 H new ATOM 0 HA LEU A 8 -33.983 -0.253 -18.853 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -34.975 -2.629 -17.223 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -33.597 -1.756 -16.581 1.00 0.00 H new ATOM 0 HG LEU A 8 -35.589 -1.114 -15.483 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -35.571 1.365 -15.740 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -33.944 0.648 -15.648 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -34.598 1.172 -17.218 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -37.463 0.123 -16.550 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -36.754 -0.237 -18.142 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -37.319 -1.563 -17.099 1.00 0.00 H new ATOM 110 N ASP A 9 -32.224 -2.687 -19.824 1.00 0.00 N ATOM 111 CA ASP A 9 -30.842 -3.020 -20.271 1.00 0.00 C ATOM 112 C ASP A 9 -30.004 -1.820 -20.819 1.00 0.00 C ATOM 113 O ASP A 9 -28.860 -1.645 -20.397 1.00 0.00 O ATOM 114 CB ASP A 9 -30.950 -4.185 -21.294 1.00 0.00 C ATOM 115 CG ASP A 9 -29.634 -4.915 -21.592 1.00 0.00 C ATOM 116 OD1 ASP A 9 -29.301 -5.882 -20.872 1.00 0.00 O ATOM 117 OD2 ASP A 9 -28.929 -4.521 -22.547 1.00 0.00 O ATOM 0 H ASP A 9 -32.940 -3.236 -20.300 1.00 0.00 H new ATOM 0 HA ASP A 9 -30.271 -3.320 -19.392 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -31.673 -4.910 -20.920 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -31.348 -3.791 -22.229 1.00 0.00 H new ATOM 122 N LYS A 10 -30.582 -1.001 -21.721 1.00 0.00 N ATOM 123 CA LYS A 10 -29.961 0.267 -22.201 1.00 0.00 C ATOM 124 C LYS A 10 -29.759 1.350 -21.090 1.00 0.00 C ATOM 125 O LYS A 10 -28.700 1.983 -21.069 1.00 0.00 O ATOM 126 CB LYS A 10 -30.783 0.846 -23.391 1.00 0.00 C ATOM 127 CG LYS A 10 -30.648 0.145 -24.768 1.00 0.00 C ATOM 128 CD LYS A 10 -31.201 -1.290 -24.927 1.00 0.00 C ATOM 129 CE LYS A 10 -32.715 -1.436 -24.670 1.00 0.00 C ATOM 130 NZ LYS A 10 -33.168 -2.815 -24.918 1.00 0.00 N ATOM 0 H LYS A 10 -31.491 -1.193 -22.141 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.956 0.004 -22.532 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -31.836 0.833 -23.109 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.500 1.891 -23.517 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -31.142 0.774 -25.509 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -29.589 0.122 -25.025 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -30.984 -1.637 -25.937 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -30.666 -1.948 -24.242 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -32.940 -1.156 -23.641 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -33.264 -0.749 -25.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -34.190 -2.883 -24.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -32.974 -3.072 -25.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -32.661 -3.466 -24.285 1.00 0.00 H new ATOM 144 N LEU A 11 -30.736 1.548 -20.178 1.00 0.00 N ATOM 145 CA LEU A 11 -30.621 2.497 -19.034 1.00 0.00 C ATOM 146 C LEU A 11 -29.510 2.123 -18.001 1.00 0.00 C ATOM 147 O LEU A 11 -28.685 2.986 -17.686 1.00 0.00 O ATOM 148 CB LEU A 11 -32.001 2.690 -18.332 1.00 0.00 C ATOM 149 CG LEU A 11 -33.136 3.487 -19.043 1.00 0.00 C ATOM 150 CD1 LEU A 11 -32.743 4.938 -19.384 1.00 0.00 C ATOM 151 CD2 LEU A 11 -33.751 2.779 -20.267 1.00 0.00 C ATOM 0 H LEU A 11 -31.630 1.057 -20.209 1.00 0.00 H new ATOM 0 HA LEU A 11 -30.305 3.446 -19.468 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -32.393 1.697 -18.110 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -31.812 3.179 -17.376 1.00 0.00 H new ATOM 0 HG LEU A 11 -33.923 3.526 -18.290 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -33.579 5.435 -19.877 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -32.493 5.472 -18.467 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -31.879 4.934 -20.049 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -34.531 3.407 -20.697 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -32.976 2.602 -21.013 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -34.181 1.826 -19.958 1.00 0.00 H new ATOM 163 N LYS A 12 -29.466 0.867 -17.495 1.00 0.00 N ATOM 164 CA LYS A 12 -28.386 0.399 -16.575 1.00 0.00 C ATOM 165 C LYS A 12 -26.951 0.344 -17.192 1.00 0.00 C ATOM 166 O LYS A 12 -26.003 0.770 -16.524 1.00 0.00 O ATOM 167 CB LYS A 12 -28.800 -0.896 -15.818 1.00 0.00 C ATOM 168 CG LYS A 12 -28.748 -2.245 -16.578 1.00 0.00 C ATOM 169 CD LYS A 12 -29.216 -3.434 -15.707 1.00 0.00 C ATOM 170 CE LYS A 12 -28.923 -4.834 -16.284 1.00 0.00 C ATOM 171 NZ LYS A 12 -29.770 -5.194 -17.435 1.00 0.00 N ATOM 0 H LYS A 12 -30.165 0.154 -17.705 1.00 0.00 H new ATOM 0 HA LYS A 12 -28.285 1.187 -15.829 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -28.161 -0.985 -14.940 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -29.819 -0.758 -15.457 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -29.375 -2.182 -17.467 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -27.729 -2.427 -16.919 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -28.740 -3.356 -14.730 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -30.290 -3.344 -15.546 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -27.877 -4.880 -16.587 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -29.060 -5.576 -15.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -29.950 -6.218 -17.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -30.674 -4.683 -17.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -29.285 -4.935 -18.318 1.00 0.00 H new ATOM 185 N GLU A 13 -26.797 -0.139 -18.446 1.00 0.00 N ATOM 186 CA GLU A 13 -25.509 -0.094 -19.186 1.00 0.00 C ATOM 187 C GLU A 13 -25.427 1.224 -20.020 1.00 0.00 C ATOM 188 O GLU A 13 -25.638 1.240 -21.237 1.00 0.00 O ATOM 189 CB GLU A 13 -25.393 -1.410 -20.015 1.00 0.00 C ATOM 190 CG GLU A 13 -24.044 -1.709 -20.712 1.00 0.00 C ATOM 191 CD GLU A 13 -22.866 -1.918 -19.750 1.00 0.00 C ATOM 192 OE1 GLU A 13 -22.825 -2.963 -19.063 1.00 0.00 O ATOM 193 OE2 GLU A 13 -21.979 -1.041 -19.678 1.00 0.00 O ATOM 0 H GLU A 13 -27.556 -0.569 -18.974 1.00 0.00 H new ATOM 0 HA GLU A 13 -24.645 -0.059 -18.523 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -25.619 -2.245 -19.351 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -26.169 -1.393 -20.781 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -24.157 -2.601 -21.328 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -23.806 -0.885 -21.385 1.00 0.00 H new ATOM 200 N PHE A 14 -25.126 2.331 -19.316 1.00 0.00 N ATOM 201 CA PHE A 14 -24.969 3.694 -19.897 1.00 0.00 C ATOM 202 C PHE A 14 -24.086 4.554 -18.935 1.00 0.00 C ATOM 203 O PHE A 14 -23.072 5.088 -19.394 1.00 0.00 O ATOM 204 CB PHE A 14 -26.326 4.345 -20.314 1.00 0.00 C ATOM 205 CG PHE A 14 -26.215 5.738 -20.961 1.00 0.00 C ATOM 206 CD1 PHE A 14 -25.844 5.867 -22.305 1.00 0.00 C ATOM 207 CD2 PHE A 14 -26.459 6.889 -20.204 1.00 0.00 C ATOM 208 CE1 PHE A 14 -25.715 7.129 -22.879 1.00 0.00 C ATOM 209 CE2 PHE A 14 -26.328 8.150 -20.781 1.00 0.00 C ATOM 210 CZ PHE A 14 -25.957 8.270 -22.116 1.00 0.00 C ATOM 0 H PHE A 14 -24.981 2.312 -18.307 1.00 0.00 H new ATOM 0 HA PHE A 14 -24.441 3.627 -20.848 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -26.831 3.677 -21.012 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -26.960 4.422 -19.431 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -25.657 4.984 -22.899 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -26.750 6.799 -19.168 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -25.427 7.224 -23.916 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -26.515 9.035 -20.191 1.00 0.00 H new ATOM 0 HZ PHE A 14 -25.856 9.248 -22.562 1.00 0.00 H new ATOM 220 N GLY A 15 -24.416 4.664 -17.622 1.00 0.00 N ATOM 221 CA GLY A 15 -23.423 5.074 -16.588 1.00 0.00 C ATOM 222 C GLY A 15 -22.255 4.077 -16.361 1.00 0.00 C ATOM 223 O GLY A 15 -21.101 4.505 -16.302 1.00 0.00 O ATOM 0 H GLY A 15 -25.349 4.478 -17.255 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -23.005 6.040 -16.872 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -23.946 5.218 -15.642 1.00 0.00 H new ATOM 227 N ASN A 16 -22.553 2.760 -16.291 1.00 0.00 N ATOM 228 CA ASN A 16 -21.532 1.678 -16.384 1.00 0.00 C ATOM 229 C ASN A 16 -20.698 1.638 -17.712 1.00 0.00 C ATOM 230 O ASN A 16 -19.510 1.313 -17.638 1.00 0.00 O ATOM 231 CB ASN A 16 -22.240 0.322 -16.097 1.00 0.00 C ATOM 232 CG ASN A 16 -21.304 -0.881 -15.861 1.00 0.00 C ATOM 233 OD1 ASN A 16 -20.982 -1.630 -16.783 1.00 0.00 O ATOM 234 ND2 ASN A 16 -20.847 -1.087 -14.635 1.00 0.00 N ATOM 0 H ASN A 16 -23.504 2.412 -16.169 1.00 0.00 H new ATOM 0 HA ASN A 16 -20.771 1.892 -15.634 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -22.875 0.443 -15.220 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -22.896 0.090 -16.936 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -20.223 -1.872 -14.449 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -21.119 -0.461 -13.877 1.00 0.00 H new ATOM 241 N THR A 17 -21.271 1.980 -18.892 1.00 0.00 N ATOM 242 CA THR A 17 -20.508 2.169 -20.158 1.00 0.00 C ATOM 243 C THR A 17 -19.421 3.288 -20.045 1.00 0.00 C ATOM 244 O THR A 17 -18.250 2.995 -20.293 1.00 0.00 O ATOM 245 CB THR A 17 -21.505 2.390 -21.338 1.00 0.00 C ATOM 246 OG1 THR A 17 -22.444 1.322 -21.411 1.00 0.00 O ATOM 247 CG2 THR A 17 -20.838 2.482 -22.716 1.00 0.00 C ATOM 0 H THR A 17 -22.274 2.133 -18.997 1.00 0.00 H new ATOM 0 HA THR A 17 -19.941 1.261 -20.364 1.00 0.00 H new ATOM 0 HB THR A 17 -21.981 3.345 -21.116 1.00 0.00 H new ATOM 0 HG1 THR A 17 -22.185 0.615 -20.783 1.00 0.00 H new ATOM 0 HG21 THR A 17 -21.600 2.636 -23.480 1.00 0.00 H new ATOM 0 HG22 THR A 17 -20.140 3.319 -22.727 1.00 0.00 H new ATOM 0 HG23 THR A 17 -20.299 1.557 -22.922 1.00 0.00 H new ATOM 255 N LEU A 18 -19.794 4.521 -19.635 1.00 0.00 N ATOM 256 CA LEU A 18 -18.810 5.608 -19.326 1.00 0.00 C ATOM 257 C LEU A 18 -17.935 5.503 -18.032 1.00 0.00 C ATOM 258 O LEU A 18 -17.092 6.371 -17.791 1.00 0.00 O ATOM 259 CB LEU A 18 -19.452 7.009 -19.562 1.00 0.00 C ATOM 260 CG LEU A 18 -20.546 7.549 -18.587 1.00 0.00 C ATOM 261 CD1 LEU A 18 -19.986 8.034 -17.234 1.00 0.00 C ATOM 262 CD2 LEU A 18 -21.327 8.697 -19.257 1.00 0.00 C ATOM 0 H LEU A 18 -20.767 4.798 -19.507 1.00 0.00 H new ATOM 0 HA LEU A 18 -18.017 5.443 -20.056 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.641 7.738 -19.573 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.886 7.001 -20.562 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.204 6.707 -18.372 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.804 8.395 -16.610 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -19.483 7.208 -16.731 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.275 8.843 -17.403 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -22.088 9.068 -18.571 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.641 9.505 -19.509 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.805 8.330 -20.165 1.00 0.00 H new ATOM 274 N GLU A 19 -18.091 4.422 -17.252 1.00 0.00 N ATOM 275 CA GLU A 19 -17.161 4.034 -16.160 1.00 0.00 C ATOM 276 C GLU A 19 -15.905 3.309 -16.734 1.00 0.00 C ATOM 277 O GLU A 19 -14.789 3.800 -16.539 1.00 0.00 O ATOM 278 CB GLU A 19 -17.947 3.241 -15.080 1.00 0.00 C ATOM 279 CG GLU A 19 -17.244 2.989 -13.728 1.00 0.00 C ATOM 280 CD GLU A 19 -16.146 1.918 -13.746 1.00 0.00 C ATOM 281 OE1 GLU A 19 -16.475 0.715 -13.844 1.00 0.00 O ATOM 282 OE2 GLU A 19 -14.949 2.276 -13.669 1.00 0.00 O ATOM 0 H GLU A 19 -18.875 3.778 -17.357 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.759 4.914 -15.658 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.877 3.774 -14.881 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.218 2.274 -15.504 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.807 3.927 -13.385 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.997 2.701 -12.995 1.00 0.00 H new ATOM 289 N ASP A 20 -16.087 2.180 -17.456 1.00 0.00 N ATOM 290 CA ASP A 20 -14.995 1.508 -18.221 1.00 0.00 C ATOM 291 C ASP A 20 -14.322 2.365 -19.339 1.00 0.00 C ATOM 292 O ASP A 20 -13.093 2.387 -19.422 1.00 0.00 O ATOM 293 CB ASP A 20 -15.463 0.112 -18.722 1.00 0.00 C ATOM 294 CG ASP A 20 -16.571 0.051 -19.792 1.00 0.00 C ATOM 295 OD1 ASP A 20 -16.256 0.166 -20.998 1.00 0.00 O ATOM 296 OD2 ASP A 20 -17.755 -0.117 -19.429 1.00 0.00 O ATOM 0 H ASP A 20 -16.987 1.706 -17.529 1.00 0.00 H new ATOM 0 HA ASP A 20 -14.181 1.371 -17.509 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.591 -0.408 -19.117 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.806 -0.454 -17.856 1.00 0.00 H new ATOM 301 N LYS A 21 -15.116 3.088 -20.154 1.00 0.00 N ATOM 302 CA LYS A 21 -14.608 4.040 -21.184 1.00 0.00 C ATOM 303 C LYS A 21 -13.676 5.169 -20.633 1.00 0.00 C ATOM 304 O LYS A 21 -12.602 5.375 -21.200 1.00 0.00 O ATOM 305 CB LYS A 21 -15.810 4.628 -21.973 1.00 0.00 C ATOM 306 CG LYS A 21 -15.449 5.245 -23.340 1.00 0.00 C ATOM 307 CD LYS A 21 -16.683 5.821 -24.067 1.00 0.00 C ATOM 308 CE LYS A 21 -16.382 6.438 -25.446 1.00 0.00 C ATOM 309 NZ LYS A 21 -15.648 7.716 -25.367 1.00 0.00 N ATOM 0 H LYS A 21 -16.134 3.034 -20.123 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.963 3.465 -21.849 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.545 3.838 -22.130 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.289 5.392 -21.361 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.713 6.036 -23.196 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.982 4.485 -23.967 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.419 5.027 -24.191 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.139 6.582 -23.434 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.800 5.729 -26.034 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.320 6.598 -25.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.477 8.078 -26.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.211 8.407 -24.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.738 7.565 -24.887 1.00 0.00 H new ATOM 323 N ALA A 22 -14.067 5.860 -19.539 1.00 0.00 N ATOM 324 CA ALA A 22 -13.196 6.847 -18.845 1.00 0.00 C ATOM 325 C ALA A 22 -11.896 6.269 -18.210 1.00 0.00 C ATOM 326 O ALA A 22 -10.835 6.858 -18.417 1.00 0.00 O ATOM 327 CB ALA A 22 -14.032 7.597 -17.794 1.00 0.00 C ATOM 0 H ALA A 22 -14.987 5.754 -19.112 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.832 7.524 -19.618 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.403 8.323 -17.279 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.856 8.115 -18.286 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.431 6.885 -17.071 1.00 0.00 H new ATOM 333 N ARG A 23 -11.964 5.133 -17.481 1.00 0.00 N ATOM 334 CA ARG A 23 -10.774 4.439 -16.905 1.00 0.00 C ATOM 335 C ARG A 23 -9.713 3.978 -17.958 1.00 0.00 C ATOM 336 O ARG A 23 -8.531 4.292 -17.790 1.00 0.00 O ATOM 337 CB ARG A 23 -11.284 3.299 -15.974 1.00 0.00 C ATOM 338 CG ARG A 23 -10.240 2.652 -15.030 1.00 0.00 C ATOM 339 CD ARG A 23 -9.465 1.469 -15.644 1.00 0.00 C ATOM 340 NE ARG A 23 -8.434 0.939 -14.720 1.00 0.00 N ATOM 341 CZ ARG A 23 -7.544 -0.018 -15.046 1.00 0.00 C ATOM 342 NH1 ARG A 23 -7.489 -0.611 -16.239 1.00 0.00 N ATOM 343 NH2 ARG A 23 -6.672 -0.394 -14.129 1.00 0.00 N ATOM 0 H ARG A 23 -12.845 4.664 -17.271 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.204 5.157 -16.316 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.095 3.696 -15.363 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.710 2.514 -16.599 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.526 3.416 -14.721 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.748 2.308 -14.129 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.164 0.673 -15.902 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.990 1.789 -16.571 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.396 1.324 -13.776 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.148 -0.346 -16.971 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.788 -1.330 -16.419 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.685 0.038 -13.205 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.985 -1.116 -14.344 1.00 0.00 H new ATOM 357 N GLU A 24 -10.128 3.282 -19.039 1.00 0.00 N ATOM 358 CA GLU A 24 -9.249 2.990 -20.211 1.00 0.00 C ATOM 359 C GLU A 24 -8.728 4.239 -21.001 1.00 0.00 C ATOM 360 O GLU A 24 -7.628 4.162 -21.554 1.00 0.00 O ATOM 361 CB GLU A 24 -9.935 1.980 -21.179 1.00 0.00 C ATOM 362 CG GLU A 24 -9.903 0.489 -20.765 1.00 0.00 C ATOM 363 CD GLU A 24 -10.914 0.072 -19.694 1.00 0.00 C ATOM 364 OE1 GLU A 24 -12.048 -0.318 -20.052 1.00 0.00 O ATOM 365 OE2 GLU A 24 -10.581 0.125 -18.490 1.00 0.00 O ATOM 0 H GLU A 24 -11.072 2.906 -19.132 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.354 2.548 -19.773 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.977 2.278 -21.299 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.463 2.072 -22.157 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.073 -0.119 -21.654 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.902 0.253 -20.404 1.00 0.00 H new ATOM 372 N LEU A 25 -9.464 5.373 -21.036 1.00 0.00 N ATOM 373 CA LEU A 25 -8.944 6.669 -21.559 1.00 0.00 C ATOM 374 C LEU A 25 -7.776 7.291 -20.722 1.00 0.00 C ATOM 375 O LEU A 25 -6.847 7.819 -21.333 1.00 0.00 O ATOM 376 CB LEU A 25 -10.139 7.649 -21.749 1.00 0.00 C ATOM 377 CG LEU A 25 -9.888 8.921 -22.607 1.00 0.00 C ATOM 378 CD1 LEU A 25 -9.670 8.601 -24.103 1.00 0.00 C ATOM 379 CD2 LEU A 25 -11.058 9.913 -22.455 1.00 0.00 C ATOM 0 H LEU A 25 -10.428 5.422 -20.707 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.476 6.470 -22.523 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.962 7.094 -22.200 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.474 7.968 -20.762 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.969 9.371 -22.232 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.500 9.527 -24.652 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.803 7.949 -24.213 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.553 8.101 -24.500 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.866 10.798 -23.062 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.982 9.439 -22.786 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.154 10.205 -21.409 1.00 0.00 H new ATOM 391 N ILE A 26 -7.776 7.205 -19.369 1.00 0.00 N ATOM 392 CA ILE A 26 -6.619 7.631 -18.514 1.00 0.00 C ATOM 393 C ILE A 26 -5.323 6.800 -18.811 1.00 0.00 C ATOM 394 O ILE A 26 -4.275 7.411 -19.031 1.00 0.00 O ATOM 395 CB ILE A 26 -6.943 7.661 -16.970 1.00 0.00 C ATOM 396 CG1 ILE A 26 -8.334 8.211 -16.532 1.00 0.00 C ATOM 397 CG2 ILE A 26 -5.836 8.379 -16.153 1.00 0.00 C ATOM 398 CD1 ILE A 26 -8.735 9.607 -17.037 1.00 0.00 C ATOM 0 H ILE A 26 -8.566 6.843 -18.835 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.424 8.665 -18.799 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.978 6.596 -16.741 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.095 7.503 -16.861 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.362 8.226 -15.442 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.103 8.375 -15.096 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.888 7.859 -16.290 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.739 9.408 -16.498 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.724 9.862 -16.656 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.011 10.343 -16.687 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.755 9.608 -18.127 1.00 0.00 H new ATOM 410 N SER A 27 -5.389 5.449 -18.846 1.00 0.00 N ATOM 411 CA SER A 27 -4.251 4.589 -19.280 1.00 0.00 C ATOM 412 C SER A 27 -3.699 4.855 -20.716 1.00 0.00 C ATOM 413 O SER A 27 -2.483 4.959 -20.868 1.00 0.00 O ATOM 414 CB SER A 27 -4.581 3.099 -19.039 1.00 0.00 C ATOM 415 OG SER A 27 -5.656 2.643 -19.855 1.00 0.00 O ATOM 0 H SER A 27 -6.221 4.924 -18.578 1.00 0.00 H new ATOM 0 HA SER A 27 -3.414 4.881 -18.645 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.695 2.496 -19.239 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.837 2.951 -17.990 1.00 0.00 H new ATOM 0 HG SER A 27 -6.099 3.411 -20.272 1.00 0.00 H new ATOM 421 N ARG A 28 -4.567 5.025 -21.736 1.00 0.00 N ATOM 422 CA ARG A 28 -4.170 5.471 -23.106 1.00 0.00 C ATOM 423 C ARG A 28 -3.376 6.823 -23.156 1.00 0.00 C ATOM 424 O ARG A 28 -2.282 6.864 -23.724 1.00 0.00 O ATOM 425 CB ARG A 28 -5.467 5.482 -23.966 1.00 0.00 C ATOM 426 CG ARG A 28 -5.281 5.791 -25.467 1.00 0.00 C ATOM 427 CD ARG A 28 -6.619 5.788 -26.234 1.00 0.00 C ATOM 428 NE ARG A 28 -6.447 6.177 -27.656 1.00 0.00 N ATOM 429 CZ ARG A 28 -6.557 7.435 -28.133 1.00 0.00 C ATOM 430 NH1 ARG A 28 -6.824 8.500 -27.378 1.00 0.00 N ATOM 431 NH2 ARG A 28 -6.387 7.624 -29.428 1.00 0.00 N ATOM 0 H ARG A 28 -5.569 4.858 -21.641 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.442 4.770 -23.514 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.949 4.509 -23.873 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.152 6.219 -23.546 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.802 6.764 -25.579 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.610 5.053 -25.907 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.064 4.795 -26.181 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.314 6.475 -25.752 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.229 5.437 -28.324 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.959 8.392 -26.373 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.893 9.424 -27.805 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.179 6.832 -30.036 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.463 8.562 -29.821 1.00 0.00 H new ATOM 445 N ILE A 29 -3.917 7.894 -22.542 1.00 0.00 N ATOM 446 CA ILE A 29 -3.268 9.234 -22.434 1.00 0.00 C ATOM 447 C ILE A 29 -1.905 9.199 -21.661 1.00 0.00 C ATOM 448 O ILE A 29 -0.889 9.619 -22.218 1.00 0.00 O ATOM 449 CB ILE A 29 -4.371 10.248 -21.929 1.00 0.00 C ATOM 450 CG1 ILE A 29 -5.214 10.872 -23.083 1.00 0.00 C ATOM 451 CG2 ILE A 29 -3.845 11.411 -21.050 1.00 0.00 C ATOM 452 CD1 ILE A 29 -6.032 9.908 -23.955 1.00 0.00 C ATOM 0 H ILE A 29 -4.834 7.861 -22.096 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.924 9.598 -23.402 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.997 9.606 -21.309 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.900 11.597 -22.646 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.538 11.426 -23.734 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.678 12.050 -20.755 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.365 11.006 -20.159 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.121 11.997 -21.617 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.569 10.473 -24.717 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.362 9.196 -24.437 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.746 9.370 -23.331 1.00 0.00 H new ATOM 464 N LYS A 30 -1.889 8.689 -20.415 1.00 0.00 N ATOM 465 CA LYS A 30 -0.641 8.522 -19.604 1.00 0.00 C ATOM 466 C LYS A 30 0.457 7.528 -20.108 1.00 0.00 C ATOM 467 O LYS A 30 1.597 7.582 -19.643 1.00 0.00 O ATOM 468 CB LYS A 30 -1.023 8.165 -18.139 1.00 0.00 C ATOM 469 CG LYS A 30 -1.938 9.141 -17.356 1.00 0.00 C ATOM 470 CD LYS A 30 -1.285 10.463 -16.913 1.00 0.00 C ATOM 471 CE LYS A 30 -0.345 10.320 -15.701 1.00 0.00 C ATOM 472 NZ LYS A 30 0.164 11.630 -15.259 1.00 0.00 N ATOM 0 H LYS A 30 -2.732 8.378 -19.932 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.155 9.493 -19.705 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.511 7.190 -18.151 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.098 8.051 -17.573 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.803 9.375 -17.977 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.311 8.627 -16.470 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.722 10.877 -17.750 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.069 11.180 -16.670 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.877 9.839 -14.880 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.492 9.672 -15.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.794 11.500 -14.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.692 12.077 -16.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.634 12.239 -14.988 1.00 0.00 H new ATOM 486 N GLN A 31 0.114 6.682 -21.082 1.00 0.00 N ATOM 487 CA GLN A 31 1.096 5.858 -21.852 1.00 0.00 C ATOM 488 C GLN A 31 1.836 6.565 -23.036 1.00 0.00 C ATOM 489 O GLN A 31 2.794 5.993 -23.566 1.00 0.00 O ATOM 490 CB GLN A 31 0.448 4.520 -22.294 1.00 0.00 C ATOM 491 CG GLN A 31 0.304 3.472 -21.162 1.00 0.00 C ATOM 492 CD GLN A 31 -0.462 2.212 -21.598 1.00 0.00 C ATOM 493 OE1 GLN A 31 -1.692 2.164 -21.559 1.00 0.00 O ATOM 494 NE2 GLN A 31 0.239 1.168 -22.014 1.00 0.00 N ATOM 0 H GLN A 31 -0.853 6.536 -21.373 1.00 0.00 H new ATOM 0 HA GLN A 31 1.904 5.670 -21.145 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.539 4.728 -22.707 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.046 4.089 -23.097 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.296 3.184 -20.814 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.211 3.928 -20.316 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.257 1.216 -22.043 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.240 0.316 -22.305 1.00 0.00 H new ATOM 503 N SER A 32 1.441 7.791 -23.422 1.00 0.00 N ATOM 504 CA SER A 32 2.266 8.705 -24.252 1.00 0.00 C ATOM 505 C SER A 32 2.170 10.148 -23.666 1.00 0.00 C ATOM 506 O SER A 32 1.431 10.999 -24.174 1.00 0.00 O ATOM 507 CB SER A 32 1.819 8.630 -25.730 1.00 0.00 C ATOM 508 OG SER A 32 2.078 7.349 -26.293 1.00 0.00 O ATOM 0 H SER A 32 0.535 8.184 -23.168 1.00 0.00 H new ATOM 0 HA SER A 32 3.313 8.404 -24.227 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.754 8.850 -25.800 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.340 9.394 -26.307 1.00 0.00 H new ATOM 0 HG SER A 32 2.428 6.752 -25.600 1.00 0.00 H new ATOM 514 N GLU A 33 2.943 10.410 -22.595 1.00 0.00 N ATOM 515 CA GLU A 33 3.174 11.772 -22.035 1.00 0.00 C ATOM 516 C GLU A 33 4.668 11.880 -21.601 1.00 0.00 C ATOM 517 O GLU A 33 4.988 12.043 -20.420 1.00 0.00 O ATOM 518 CB GLU A 33 2.128 12.151 -20.952 1.00 0.00 C ATOM 519 CG GLU A 33 0.786 12.701 -21.481 1.00 0.00 C ATOM 520 CD GLU A 33 -0.170 13.087 -20.353 1.00 0.00 C ATOM 521 OE1 GLU A 33 -0.948 12.219 -19.902 1.00 0.00 O ATOM 522 OE2 GLU A 33 -0.149 14.257 -19.912 1.00 0.00 O ATOM 0 H GLU A 33 3.435 9.678 -22.082 1.00 0.00 H new ATOM 0 HA GLU A 33 3.010 12.534 -22.797 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.924 11.269 -20.345 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.570 12.897 -20.291 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.975 13.573 -22.108 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.313 11.950 -22.114 1.00 0.00 H new ATOM 529 N LEU A 34 5.598 11.717 -22.581 1.00 0.00 N ATOM 530 CA LEU A 34 7.006 11.267 -22.353 1.00 0.00 C ATOM 531 C LEU A 34 7.134 10.030 -21.398 1.00 0.00 C ATOM 532 O LEU A 34 7.881 9.951 -20.426 1.00 0.00 O ATOM 533 CB LEU A 34 7.832 12.568 -22.261 1.00 0.00 C ATOM 534 CG LEU A 34 9.223 12.676 -21.590 1.00 0.00 C ATOM 535 CD1 LEU A 34 9.082 12.845 -20.068 1.00 0.00 C ATOM 536 CD2 LEU A 34 10.240 11.594 -22.005 1.00 0.00 C ATOM 0 H LEU A 34 5.392 11.896 -23.564 1.00 0.00 H new ATOM 0 HA LEU A 34 7.508 10.719 -23.151 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.963 12.916 -23.286 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.196 13.295 -21.756 1.00 0.00 H new ATOM 0 HG LEU A 34 9.677 13.585 -21.984 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.072 12.919 -19.617 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.517 13.752 -19.853 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.558 11.984 -19.653 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.181 11.758 -21.480 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.849 10.609 -21.749 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.410 11.648 -23.080 1.00 0.00 H new ATOM 548 N SER A 35 6.272 9.072 -21.747 1.00 0.00 N ATOM 549 CA SER A 35 5.305 8.436 -20.815 1.00 0.00 C ATOM 550 C SER A 35 5.311 8.784 -19.290 1.00 0.00 C ATOM 551 O SER A 35 6.297 8.659 -18.560 1.00 0.00 O ATOM 552 CB SER A 35 5.113 6.971 -21.213 1.00 0.00 C ATOM 553 OG SER A 35 4.296 6.245 -20.301 1.00 0.00 O ATOM 0 H SER A 35 6.216 8.703 -22.696 1.00 0.00 H new ATOM 0 HA SER A 35 4.372 8.977 -20.970 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.666 6.927 -22.206 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.088 6.489 -21.281 1.00 0.00 H new ATOM 0 HG SER A 35 3.470 6.744 -20.133 1.00 0.00 H new ATOM 559 N ALA A 36 4.145 9.266 -18.866 1.00 0.00 N ATOM 560 CA ALA A 36 3.896 9.791 -17.511 1.00 0.00 C ATOM 561 C ALA A 36 3.526 8.713 -16.443 1.00 0.00 C ATOM 562 O ALA A 36 3.941 8.855 -15.290 1.00 0.00 O ATOM 563 CB ALA A 36 2.845 10.880 -17.766 1.00 0.00 C ATOM 0 H ALA A 36 3.321 9.307 -19.466 1.00 0.00 H new ATOM 0 HA ALA A 36 4.791 10.191 -17.034 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.573 11.352 -16.822 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.255 11.630 -18.442 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.959 10.432 -18.216 1.00 0.00 H new ATOM 569 N LYS A 37 2.846 7.605 -16.824 1.00 0.00 N ATOM 570 CA LYS A 37 2.890 6.316 -16.074 1.00 0.00 C ATOM 571 C LYS A 37 4.305 5.653 -15.984 1.00 0.00 C ATOM 572 O LYS A 37 4.640 5.171 -14.897 1.00 0.00 O ATOM 573 CB LYS A 37 1.842 5.318 -16.652 1.00 0.00 C ATOM 574 CG LYS A 37 0.449 5.403 -15.991 1.00 0.00 C ATOM 575 CD LYS A 37 -0.611 4.513 -16.680 1.00 0.00 C ATOM 576 CE LYS A 37 -1.954 4.403 -15.932 1.00 0.00 C ATOM 577 NZ LYS A 37 -2.725 5.660 -15.897 1.00 0.00 N ATOM 0 H LYS A 37 2.254 7.574 -17.654 1.00 0.00 H new ATOM 0 HA LYS A 37 2.635 6.568 -15.045 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.735 5.501 -17.721 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.223 4.303 -16.539 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.533 5.111 -14.944 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.110 6.439 -16.007 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.800 4.906 -17.679 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.198 3.512 -16.804 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.560 3.630 -16.405 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.763 4.077 -14.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.636 5.495 -15.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.188 6.382 -15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.895 5.990 -16.868 1.00 0.00 H new ATOM 591 N MET A 38 5.136 5.636 -17.058 1.00 0.00 N ATOM 592 CA MET A 38 6.550 5.151 -16.969 1.00 0.00 C ATOM 593 C MET A 38 7.538 6.025 -16.126 1.00 0.00 C ATOM 594 O MET A 38 8.633 5.530 -15.869 1.00 0.00 O ATOM 595 CB MET A 38 7.130 4.801 -18.395 1.00 0.00 C ATOM 596 CG MET A 38 7.895 5.886 -19.182 1.00 0.00 C ATOM 597 SD MET A 38 8.627 5.154 -20.661 1.00 0.00 S ATOM 598 CE MET A 38 9.616 6.538 -21.263 1.00 0.00 C ATOM 0 H MET A 38 4.861 5.948 -17.989 1.00 0.00 H new ATOM 0 HA MET A 38 6.475 4.236 -16.381 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.798 3.948 -18.277 1.00 0.00 H new ATOM 0 HB3 MET A 38 6.297 4.470 -19.016 1.00 0.00 H new ATOM 0 HG2 MET A 38 7.218 6.694 -19.460 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.673 6.323 -18.556 1.00 0.00 H new ATOM 0 HE1 MET A 38 10.134 6.245 -22.176 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.965 7.387 -21.471 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.348 6.819 -20.506 1.00 0.00 H new ATOM 608 N ARG A 39 7.212 7.278 -15.729 1.00 0.00 N ATOM 609 CA ARG A 39 8.207 8.244 -15.172 1.00 0.00 C ATOM 610 C ARG A 39 8.862 7.854 -13.806 1.00 0.00 C ATOM 611 O ARG A 39 10.088 7.943 -13.689 1.00 0.00 O ATOM 612 CB ARG A 39 7.625 9.692 -15.140 1.00 0.00 C ATOM 613 CG ARG A 39 8.691 10.818 -15.181 1.00 0.00 C ATOM 614 CD ARG A 39 9.032 11.379 -16.581 1.00 0.00 C ATOM 615 NE ARG A 39 9.476 10.360 -17.579 1.00 0.00 N ATOM 616 CZ ARG A 39 10.755 10.110 -17.915 1.00 0.00 C ATOM 617 NH1 ARG A 39 11.807 10.685 -17.338 1.00 0.00 N ATOM 618 NH2 ARG A 39 10.974 9.237 -18.879 1.00 0.00 N ATOM 0 H ARG A 39 6.264 7.651 -15.782 1.00 0.00 H new ATOM 0 HA ARG A 39 9.041 8.201 -15.873 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.951 9.817 -15.987 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.027 9.809 -14.236 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.345 11.641 -14.556 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.608 10.439 -14.730 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.154 11.892 -16.974 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.817 12.127 -16.474 1.00 0.00 H new ATOM 0 HE ARG A 39 8.753 9.810 -18.042 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.670 11.364 -16.589 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.750 10.447 -17.645 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.188 8.779 -19.340 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.929 9.020 -19.163 1.00 0.00 H new ATOM 632 N GLU A 40 8.074 7.415 -12.801 1.00 0.00 N ATOM 633 CA GLU A 40 8.612 6.889 -11.506 1.00 0.00 C ATOM 634 C GLU A 40 9.483 5.597 -11.642 1.00 0.00 C ATOM 635 O GLU A 40 10.580 5.546 -11.081 1.00 0.00 O ATOM 636 CB GLU A 40 7.478 6.688 -10.469 1.00 0.00 C ATOM 637 CG GLU A 40 6.778 7.980 -9.991 1.00 0.00 C ATOM 638 CD GLU A 40 5.667 7.707 -8.975 1.00 0.00 C ATOM 639 OE1 GLU A 40 4.506 7.499 -9.390 1.00 0.00 O ATOM 640 OE2 GLU A 40 5.949 7.698 -7.756 1.00 0.00 O ATOM 0 H GLU A 40 7.055 7.411 -12.853 1.00 0.00 H new ATOM 0 HA GLU A 40 9.293 7.660 -11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.727 6.027 -10.901 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.891 6.176 -9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.517 8.645 -9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.358 8.501 -10.852 1.00 0.00 H new ATOM 647 N TRP A 41 9.023 4.597 -12.421 1.00 0.00 N ATOM 648 CA TRP A 41 9.865 3.458 -12.886 1.00 0.00 C ATOM 649 C TRP A 41 11.130 3.849 -13.727 1.00 0.00 C ATOM 650 O TRP A 41 12.142 3.159 -13.595 1.00 0.00 O ATOM 651 CB TRP A 41 8.911 2.482 -13.637 1.00 0.00 C ATOM 652 CG TRP A 41 9.526 1.177 -14.165 1.00 0.00 C ATOM 653 CD1 TRP A 41 9.513 -0.083 -13.533 1.00 0.00 C ATOM 654 CD2 TRP A 41 10.190 0.982 -15.364 1.00 0.00 C ATOM 655 NE1 TRP A 41 10.152 -1.065 -14.316 1.00 0.00 N ATOM 656 CE2 TRP A 41 10.565 -0.379 -15.448 1.00 0.00 C ATOM 657 CE3 TRP A 41 10.547 1.893 -16.390 1.00 0.00 C ATOM 658 CZ2 TRP A 41 11.297 -0.843 -16.569 1.00 0.00 C ATOM 659 CZ3 TRP A 41 11.274 1.417 -17.480 1.00 0.00 C ATOM 660 CH2 TRP A 41 11.640 0.068 -17.571 1.00 0.00 C ATOM 0 H TRP A 41 8.059 4.549 -12.750 1.00 0.00 H new ATOM 0 HA TRP A 41 10.321 2.982 -12.018 1.00 0.00 H new ATOM 0 HB2 TRP A 41 8.093 2.224 -12.965 1.00 0.00 H new ATOM 0 HB3 TRP A 41 8.474 3.017 -14.480 1.00 0.00 H new ATOM 0 HD1 TRP A 41 9.068 -0.272 -12.567 1.00 0.00 H new ATOM 0 HE1 TRP A 41 10.281 -2.053 -14.100 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.262 2.933 -16.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 11.584 -1.881 -16.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 11.560 2.099 -18.267 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.197 -0.274 -18.431 1.00 0.00 H new ATOM 671 N PHE A 42 11.089 4.891 -14.593 1.00 0.00 N ATOM 672 CA PHE A 42 12.257 5.326 -15.417 1.00 0.00 C ATOM 673 C PHE A 42 13.477 5.792 -14.563 1.00 0.00 C ATOM 674 O PHE A 42 14.606 5.389 -14.837 1.00 0.00 O ATOM 675 CB PHE A 42 11.868 6.433 -16.448 1.00 0.00 C ATOM 676 CG PHE A 42 12.831 6.522 -17.647 1.00 0.00 C ATOM 677 CD1 PHE A 42 12.660 5.674 -18.747 1.00 0.00 C ATOM 678 CD2 PHE A 42 13.897 7.430 -17.640 1.00 0.00 C ATOM 679 CE1 PHE A 42 13.542 5.732 -19.822 1.00 0.00 C ATOM 680 CE2 PHE A 42 14.778 7.487 -18.717 1.00 0.00 C ATOM 681 CZ PHE A 42 14.600 6.639 -19.807 1.00 0.00 C ATOM 0 H PHE A 42 10.252 5.455 -14.744 1.00 0.00 H new ATOM 0 HA PHE A 42 12.567 4.435 -15.963 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.860 6.238 -16.815 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.842 7.398 -15.941 1.00 0.00 H new ATOM 0 HD1 PHE A 42 11.840 4.971 -18.762 1.00 0.00 H new ATOM 0 HD2 PHE A 42 14.037 8.089 -16.796 1.00 0.00 H new ATOM 0 HE1 PHE A 42 13.407 5.074 -20.668 1.00 0.00 H new ATOM 0 HE2 PHE A 42 15.599 8.189 -18.707 1.00 0.00 H new ATOM 0 HZ PHE A 42 15.283 6.684 -20.642 1.00 0.00 H new ATOM 691 N SER A 43 13.224 6.608 -13.524 1.00 0.00 N ATOM 692 CA SER A 43 14.247 6.968 -12.500 1.00 0.00 C ATOM 693 C SER A 43 14.823 5.780 -11.661 1.00 0.00 C ATOM 694 O SER A 43 16.028 5.755 -11.403 1.00 0.00 O ATOM 695 CB SER A 43 13.710 8.108 -11.604 1.00 0.00 C ATOM 696 OG SER A 43 12.577 7.711 -10.838 1.00 0.00 O ATOM 0 H SER A 43 12.314 7.039 -13.362 1.00 0.00 H new ATOM 0 HA SER A 43 15.116 7.312 -13.061 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.501 8.441 -10.932 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.442 8.961 -12.228 1.00 0.00 H new ATOM 0 HG SER A 43 12.179 6.908 -11.235 1.00 0.00 H new ATOM 702 N GLU A 44 13.979 4.800 -11.278 1.00 0.00 N ATOM 703 CA GLU A 44 14.408 3.536 -10.614 1.00 0.00 C ATOM 704 C GLU A 44 15.301 2.599 -11.496 1.00 0.00 C ATOM 705 O GLU A 44 16.355 2.162 -11.029 1.00 0.00 O ATOM 706 CB GLU A 44 13.138 2.785 -10.117 1.00 0.00 C ATOM 707 CG GLU A 44 12.393 3.449 -8.936 1.00 0.00 C ATOM 708 CD GLU A 44 11.077 2.743 -8.600 1.00 0.00 C ATOM 709 OE1 GLU A 44 10.028 3.115 -9.172 1.00 0.00 O ATOM 710 OE2 GLU A 44 11.086 1.812 -7.766 1.00 0.00 O ATOM 0 H GLU A 44 12.970 4.857 -11.419 1.00 0.00 H new ATOM 0 HA GLU A 44 15.052 3.817 -9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.445 2.687 -10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.426 1.776 -9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.037 3.446 -8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.190 4.492 -9.179 1.00 0.00 H new ATOM 717 N THR A 45 14.876 2.287 -12.738 1.00 0.00 N ATOM 718 CA THR A 45 15.541 1.288 -13.626 1.00 0.00 C ATOM 719 C THR A 45 16.747 1.858 -14.438 1.00 0.00 C ATOM 720 O THR A 45 17.791 1.203 -14.486 1.00 0.00 O ATOM 721 CB THR A 45 14.465 0.604 -14.523 1.00 0.00 C ATOM 722 OG1 THR A 45 13.418 0.055 -13.724 1.00 0.00 O ATOM 723 CG2 THR A 45 14.990 -0.540 -15.411 1.00 0.00 C ATOM 0 H THR A 45 14.056 2.720 -13.164 1.00 0.00 H new ATOM 0 HA THR A 45 16.002 0.532 -12.991 1.00 0.00 H new ATOM 0 HB THR A 45 14.119 1.406 -15.174 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.611 -0.050 -14.270 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.168 -0.952 -15.997 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.758 -0.156 -16.083 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.416 -1.322 -14.783 1.00 0.00 H new ATOM 731 N PHE A 46 16.596 3.028 -15.095 1.00 0.00 N ATOM 732 CA PHE A 46 17.619 3.606 -16.014 1.00 0.00 C ATOM 733 C PHE A 46 19.014 3.932 -15.399 1.00 0.00 C ATOM 734 O PHE A 46 20.015 3.749 -16.091 1.00 0.00 O ATOM 735 CB PHE A 46 17.005 4.845 -16.724 1.00 0.00 C ATOM 736 CG PHE A 46 17.800 5.369 -17.930 1.00 0.00 C ATOM 737 CD1 PHE A 46 17.804 4.651 -19.129 1.00 0.00 C ATOM 738 CD2 PHE A 46 18.549 6.546 -17.827 1.00 0.00 C ATOM 739 CE1 PHE A 46 18.537 5.114 -20.220 1.00 0.00 C ATOM 740 CE2 PHE A 46 19.277 7.010 -18.921 1.00 0.00 C ATOM 741 CZ PHE A 46 19.271 6.293 -20.116 1.00 0.00 C ATOM 0 H PHE A 46 15.760 3.606 -15.007 1.00 0.00 H new ATOM 0 HA PHE A 46 17.857 2.813 -16.723 1.00 0.00 H new ATOM 0 HB2 PHE A 46 15.998 4.592 -17.055 1.00 0.00 H new ATOM 0 HB3 PHE A 46 16.908 5.650 -15.996 1.00 0.00 H new ATOM 0 HD1 PHE A 46 17.238 3.735 -19.210 1.00 0.00 H new ATOM 0 HD2 PHE A 46 18.563 7.096 -16.898 1.00 0.00 H new ATOM 0 HE1 PHE A 46 18.536 4.559 -21.146 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.846 7.925 -18.843 1.00 0.00 H new ATOM 0 HZ PHE A 46 19.837 6.652 -20.963 1.00 0.00 H new ATOM 751 N GLN A 47 19.085 4.382 -14.134 1.00 0.00 N ATOM 752 CA GLN A 47 20.357 4.454 -13.352 1.00 0.00 C ATOM 753 C GLN A 47 21.263 3.173 -13.343 1.00 0.00 C ATOM 754 O GLN A 47 22.476 3.312 -13.513 1.00 0.00 O ATOM 755 CB GLN A 47 20.080 4.999 -11.923 1.00 0.00 C ATOM 756 CG GLN A 47 19.105 4.175 -11.047 1.00 0.00 C ATOM 757 CD GLN A 47 18.920 4.738 -9.630 1.00 0.00 C ATOM 758 OE1 GLN A 47 18.203 5.713 -9.415 1.00 0.00 O ATOM 759 NE2 GLN A 47 19.554 4.136 -8.634 1.00 0.00 N ATOM 0 H GLN A 47 18.270 4.708 -13.615 1.00 0.00 H new ATOM 0 HA GLN A 47 20.977 5.160 -13.904 1.00 0.00 H new ATOM 0 HB2 GLN A 47 21.031 5.075 -11.396 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.685 6.011 -12.014 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.134 4.133 -11.541 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.471 3.151 -10.976 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.147 3.328 -8.822 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.449 4.481 -7.680 1.00 0.00 H new ATOM 768 N LYS A 48 20.688 1.954 -13.204 1.00 0.00 N ATOM 769 CA LYS A 48 21.432 0.671 -13.392 1.00 0.00 C ATOM 770 C LYS A 48 21.903 0.393 -14.859 1.00 0.00 C ATOM 771 O LYS A 48 23.035 -0.064 -15.041 1.00 0.00 O ATOM 772 CB LYS A 48 20.635 -0.550 -12.851 1.00 0.00 C ATOM 773 CG LYS A 48 20.354 -0.580 -11.326 1.00 0.00 C ATOM 774 CD LYS A 48 18.959 -0.072 -10.886 1.00 0.00 C ATOM 775 CE LYS A 48 17.767 -1.016 -11.209 1.00 0.00 C ATOM 776 NZ LYS A 48 17.770 -2.241 -10.387 1.00 0.00 N ATOM 0 H LYS A 48 19.706 1.826 -12.961 1.00 0.00 H new ATOM 0 HA LYS A 48 22.338 0.804 -12.800 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.679 -0.591 -13.374 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.181 -1.456 -13.114 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.474 -1.605 -10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.113 0.020 -10.824 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.979 0.104 -9.810 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.776 0.891 -11.363 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.831 -0.480 -11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.802 -1.291 -12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.955 -2.833 -10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.649 -2.770 -10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.708 -1.984 -9.381 1.00 0.00 H new ATOM 790 N VAL A 49 21.069 0.680 -15.885 1.00 0.00 N ATOM 791 CA VAL A 49 21.470 0.625 -17.330 1.00 0.00 C ATOM 792 C VAL A 49 22.662 1.581 -17.675 1.00 0.00 C ATOM 793 O VAL A 49 23.610 1.150 -18.333 1.00 0.00 O ATOM 794 CB VAL A 49 20.270 0.881 -18.311 1.00 0.00 C ATOM 795 CG1 VAL A 49 20.602 0.520 -19.780 1.00 0.00 C ATOM 796 CG2 VAL A 49 18.942 0.164 -17.952 1.00 0.00 C ATOM 0 H VAL A 49 20.097 0.957 -15.746 1.00 0.00 H new ATOM 0 HA VAL A 49 21.812 -0.399 -17.480 1.00 0.00 H new ATOM 0 HB VAL A 49 20.117 1.954 -18.195 1.00 0.00 H new ATOM 0 HG11 VAL A 49 19.734 0.719 -20.409 1.00 0.00 H new ATOM 0 HG12 VAL A 49 21.443 1.123 -20.122 1.00 0.00 H new ATOM 0 HG13 VAL A 49 20.863 -0.536 -19.845 1.00 0.00 H new ATOM 0 HG21 VAL A 49 18.183 0.411 -18.695 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.102 -0.914 -17.941 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.606 0.491 -16.968 1.00 0.00 H new ATOM 806 N LYS A 50 22.586 2.861 -17.259 1.00 0.00 N ATOM 807 CA LYS A 50 23.556 3.916 -17.607 1.00 0.00 C ATOM 808 C LYS A 50 24.989 3.721 -17.019 1.00 0.00 C ATOM 809 O LYS A 50 25.958 3.791 -17.779 1.00 0.00 O ATOM 810 CB LYS A 50 22.861 5.231 -17.165 1.00 0.00 C ATOM 811 CG LYS A 50 23.532 6.530 -17.636 1.00 0.00 C ATOM 812 CD LYS A 50 22.771 7.795 -17.185 1.00 0.00 C ATOM 813 CE LYS A 50 23.141 8.369 -15.801 1.00 0.00 C ATOM 814 NZ LYS A 50 22.601 7.596 -14.666 1.00 0.00 N ATOM 0 H LYS A 50 21.832 3.196 -16.659 1.00 0.00 H new ATOM 0 HA LYS A 50 23.779 3.907 -18.674 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.835 5.220 -17.533 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.809 5.245 -16.076 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.551 6.568 -17.250 1.00 0.00 H new ATOM 0 HG3 LYS A 50 23.603 6.523 -18.724 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.933 8.573 -17.931 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.705 7.569 -17.186 1.00 0.00 H new ATOM 0 HE2 LYS A 50 24.227 8.411 -15.715 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.777 9.394 -15.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.636 8.176 -13.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.616 7.330 -14.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.171 6.737 -14.529 1.00 0.00 H new ATOM 828 N GLU A 51 25.116 3.435 -15.705 1.00 0.00 N ATOM 829 CA GLU A 51 26.396 2.965 -15.087 1.00 0.00 C ATOM 830 C GLU A 51 27.031 1.652 -15.666 1.00 0.00 C ATOM 831 O GLU A 51 28.255 1.504 -15.623 1.00 0.00 O ATOM 832 CB GLU A 51 26.245 2.915 -13.538 1.00 0.00 C ATOM 833 CG GLU A 51 25.418 1.748 -12.944 1.00 0.00 C ATOM 834 CD GLU A 51 25.145 1.896 -11.446 1.00 0.00 C ATOM 835 OE1 GLU A 51 26.017 1.520 -10.632 1.00 0.00 O ATOM 836 OE2 GLU A 51 24.056 2.389 -11.075 1.00 0.00 O ATOM 0 H GLU A 51 24.347 3.519 -15.040 1.00 0.00 H new ATOM 0 HA GLU A 51 27.134 3.714 -15.374 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.243 2.877 -13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.791 3.851 -13.213 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.468 1.680 -13.474 1.00 0.00 H new ATOM 0 HG3 GLU A 51 25.948 0.812 -13.118 1.00 0.00 H new ATOM 843 N LYS A 52 26.208 0.726 -16.200 1.00 0.00 N ATOM 844 CA LYS A 52 26.682 -0.495 -16.906 1.00 0.00 C ATOM 845 C LYS A 52 27.190 -0.232 -18.360 1.00 0.00 C ATOM 846 O LYS A 52 28.199 -0.829 -18.741 1.00 0.00 O ATOM 847 CB LYS A 52 25.540 -1.552 -16.849 1.00 0.00 C ATOM 848 CG LYS A 52 25.842 -2.957 -17.415 1.00 0.00 C ATOM 849 CD LYS A 52 26.918 -3.754 -16.645 1.00 0.00 C ATOM 850 CE LYS A 52 27.196 -5.162 -17.208 1.00 0.00 C ATOM 851 NZ LYS A 52 26.088 -6.112 -16.986 1.00 0.00 N ATOM 0 H LYS A 52 25.192 0.799 -16.157 1.00 0.00 H new ATOM 0 HA LYS A 52 27.568 -0.873 -16.395 1.00 0.00 H new ATOM 0 HB2 LYS A 52 25.239 -1.666 -15.808 1.00 0.00 H new ATOM 0 HB3 LYS A 52 24.682 -1.150 -17.387 1.00 0.00 H new ATOM 0 HG2 LYS A 52 24.918 -3.536 -17.422 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.161 -2.853 -18.452 1.00 0.00 H new ATOM 0 HD2 LYS A 52 27.847 -3.184 -16.650 1.00 0.00 H new ATOM 0 HD3 LYS A 52 26.608 -3.847 -15.604 1.00 0.00 H new ATOM 0 HE2 LYS A 52 27.390 -5.086 -18.278 1.00 0.00 H new ATOM 0 HE3 LYS A 52 28.101 -5.557 -16.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.339 -7.038 -17.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 25.916 -6.213 -15.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.227 -5.756 -17.448 1.00 0.00 H new ATOM 865 N LEU A 53 26.485 0.612 -19.153 1.00 0.00 N ATOM 866 CA LEU A 53 26.779 0.876 -20.604 1.00 0.00 C ATOM 867 C LEU A 53 26.036 -0.107 -21.556 1.00 0.00 C ATOM 868 O LEU A 53 25.359 0.358 -22.477 1.00 0.00 O ATOM 869 CB LEU A 53 28.264 1.103 -21.026 1.00 0.00 C ATOM 870 CG LEU A 53 29.070 2.171 -20.230 1.00 0.00 C ATOM 871 CD1 LEU A 53 30.564 2.111 -20.597 1.00 0.00 C ATOM 872 CD2 LEU A 53 28.530 3.604 -20.416 1.00 0.00 C ATOM 0 H LEU A 53 25.684 1.141 -18.809 1.00 0.00 H new ATOM 0 HA LEU A 53 26.358 1.874 -20.729 1.00 0.00 H new ATOM 0 HB2 LEU A 53 28.789 0.151 -20.943 1.00 0.00 H new ATOM 0 HB3 LEU A 53 28.278 1.384 -22.079 1.00 0.00 H new ATOM 0 HG LEU A 53 28.946 1.924 -19.176 1.00 0.00 H new ATOM 0 HD11 LEU A 53 31.109 2.866 -20.029 1.00 0.00 H new ATOM 0 HD12 LEU A 53 30.958 1.123 -20.358 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.685 2.302 -21.663 1.00 0.00 H new ATOM 0 HD21 LEU A 53 29.136 4.299 -19.835 1.00 0.00 H new ATOM 0 HD22 LEU A 53 28.576 3.876 -21.470 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.496 3.650 -20.074 1.00 0.00 H new ATOM 884 N LYS A 54 26.175 -1.438 -21.357 1.00 0.00 N ATOM 885 CA LYS A 54 25.578 -2.498 -22.226 1.00 0.00 C ATOM 886 C LYS A 54 26.394 -2.591 -23.547 1.00 0.00 C ATOM 887 O LYS A 54 26.075 -1.916 -24.531 1.00 0.00 O ATOM 888 CB LYS A 54 24.034 -2.431 -22.458 1.00 0.00 C ATOM 889 CG LYS A 54 23.114 -2.325 -21.217 1.00 0.00 C ATOM 890 CD LYS A 54 23.141 -3.544 -20.273 1.00 0.00 C ATOM 891 CE LYS A 54 22.211 -3.364 -19.060 1.00 0.00 C ATOM 892 NZ LYS A 54 22.223 -4.551 -18.187 1.00 0.00 N ATOM 0 H LYS A 54 26.712 -1.819 -20.578 1.00 0.00 H new ATOM 0 HA LYS A 54 25.664 -3.429 -21.666 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.830 -1.573 -23.099 1.00 0.00 H new ATOM 0 HB3 LYS A 54 23.742 -3.321 -23.015 1.00 0.00 H new ATOM 0 HG2 LYS A 54 23.398 -1.439 -20.649 1.00 0.00 H new ATOM 0 HG3 LYS A 54 22.090 -2.171 -21.556 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.845 -4.436 -20.826 1.00 0.00 H new ATOM 0 HD3 LYS A 54 24.161 -3.709 -19.925 1.00 0.00 H new ATOM 0 HE2 LYS A 54 22.521 -2.489 -18.489 1.00 0.00 H new ATOM 0 HE3 LYS A 54 21.194 -3.175 -19.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.639 -4.369 -17.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.839 -5.367 -18.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 23.199 -4.756 -17.893 1.00 0.00 H new ATOM 906 N ILE A 55 27.501 -3.367 -23.514 1.00 0.00 N ATOM 907 CA ILE A 55 28.590 -3.331 -24.540 1.00 0.00 C ATOM 908 C ILE A 55 29.378 -1.995 -24.354 1.00 0.00 C ATOM 909 O ILE A 55 28.963 -0.951 -24.870 1.00 0.00 O ATOM 910 CB ILE A 55 28.195 -3.697 -26.018 1.00 0.00 C ATOM 911 CG1 ILE A 55 27.526 -5.104 -26.090 1.00 0.00 C ATOM 912 CG2 ILE A 55 29.413 -3.632 -26.981 1.00 0.00 C ATOM 913 CD1 ILE A 55 26.884 -5.466 -27.431 1.00 0.00 C ATOM 0 H ILE A 55 27.673 -4.045 -22.771 1.00 0.00 H new ATOM 0 HA ILE A 55 29.257 -4.172 -24.350 1.00 0.00 H new ATOM 0 HB ILE A 55 27.473 -2.949 -26.344 1.00 0.00 H new ATOM 0 HG12 ILE A 55 28.279 -5.856 -25.854 1.00 0.00 H new ATOM 0 HG13 ILE A 55 26.762 -5.163 -25.315 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.093 -3.892 -27.990 1.00 0.00 H new ATOM 0 HG22 ILE A 55 29.824 -2.623 -26.980 1.00 0.00 H new ATOM 0 HG23 ILE A 55 30.177 -4.336 -26.650 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.450 -6.464 -27.369 1.00 0.00 H new ATOM 0 HD12 ILE A 55 26.102 -4.744 -27.667 1.00 0.00 H new ATOM 0 HD13 ILE A 55 27.642 -5.448 -28.214 1.00 0.00 H new ATOM 925 N ASP A 56 30.502 -2.046 -23.613 1.00 0.00 N ATOM 926 CA ASP A 56 31.326 -0.843 -23.295 1.00 0.00 C ATOM 927 C ASP A 56 32.012 -0.162 -24.524 1.00 0.00 C ATOM 928 O ASP A 56 31.740 1.017 -24.774 1.00 0.00 O ATOM 929 CB ASP A 56 32.272 -1.102 -22.087 1.00 0.00 C ATOM 930 CG ASP A 56 33.373 -2.168 -22.247 1.00 0.00 C ATOM 931 OD1 ASP A 56 33.088 -3.368 -22.041 1.00 0.00 O ATOM 932 OD2 ASP A 56 34.522 -1.805 -22.582 1.00 0.00 O ATOM 0 H ASP A 56 30.870 -2.911 -23.216 1.00 0.00 H new ATOM 0 HA ASP A 56 30.620 -0.076 -22.977 1.00 0.00 H new ATOM 0 HB2 ASP A 56 32.755 -0.159 -21.833 1.00 0.00 H new ATOM 0 HB3 ASP A 56 31.655 -1.384 -21.234 1.00 0.00 H new ATOM 937 N SER A 57 32.855 -0.887 -25.290 1.00 0.00 N ATOM 938 CA SER A 57 33.495 -0.358 -26.521 1.00 0.00 C ATOM 939 C SER A 57 32.609 -0.687 -27.743 1.00 0.00 C ATOM 940 O SER A 57 32.481 -1.875 -28.122 1.00 0.00 O ATOM 941 CB SER A 57 34.923 -0.936 -26.634 1.00 0.00 C ATOM 942 OG SER A 57 35.612 -0.368 -27.743 1.00 0.00 O ATOM 943 OXT SER A 57 32.029 0.256 -28.328 1.00 0.00 O ATOM 0 H SER A 57 33.112 -1.851 -25.077 1.00 0.00 H new ATOM 0 HA SER A 57 33.587 0.727 -26.481 1.00 0.00 H new ATOM 0 HB2 SER A 57 35.475 -0.736 -25.716 1.00 0.00 H new ATOM 0 HB3 SER A 57 34.874 -2.019 -26.746 1.00 0.00 H new ATOM 0 HG SER A 57 36.515 -0.746 -27.796 1.00 0.00 H new TER 949 SER A 57