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+ 141:sc= -0.0927 (180deg=-1.43!) USER MOD Single : A 1 THR OG1 : rot 172:sc= 0.0118 USER MOD Single : A 5 SER OG : rot 180: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 78:sc= 0.15 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.665) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -176:sc= 0 (180deg=-0.0287) USER MOD Single : A 43 SER OG : rot -8:sc= 0.182 USER MOD Single : A 45 THR OG1 : rot 82:sc= 0.432 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+ -170:sc= 0 (180deg=-0.0782) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.012) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -32.294 1.951 -16.716 1.00 0.00 N ATOM 2 CA THR A 1 -32.559 0.789 -17.602 1.00 0.00 C ATOM 3 C THR A 1 -33.639 -0.183 -16.993 1.00 0.00 C ATOM 4 O THR A 1 -33.285 -1.313 -16.642 1.00 0.00 O ATOM 5 CB THR A 1 -31.197 0.156 -18.021 1.00 0.00 C ATOM 6 OG1 THR A 1 -31.422 -0.897 -18.949 1.00 0.00 O ATOM 7 CG2 THR A 1 -30.313 -0.384 -16.882 1.00 0.00 C ATOM 0 H1 THR A 1 -31.278 2.171 -16.726 1.00 0.00 H new ATOM 0 H2 THR A 1 -32.830 2.775 -17.055 1.00 0.00 H new ATOM 0 H3 THR A 1 -32.589 1.722 -15.745 1.00 0.00 H new ATOM 0 HA THR A 1 -33.036 1.102 -18.531 1.00 0.00 H new ATOM 0 HB THR A 1 -30.641 0.988 -18.453 1.00 0.00 H new ATOM 0 HG1 THR A 1 -30.564 -1.203 -19.311 1.00 0.00 H new ATOM 0 HG21 THR A 1 -29.395 -0.798 -17.299 1.00 0.00 H new ATOM 0 HG22 THR A 1 -30.067 0.427 -16.197 1.00 0.00 H new ATOM 0 HG23 THR A 1 -30.851 -1.164 -16.343 1.00 0.00 H new ATOM 17 N PRO A 2 -34.959 0.171 -16.871 1.00 0.00 N ATOM 18 CA PRO A 2 -35.972 -0.694 -16.207 1.00 0.00 C ATOM 19 C PRO A 2 -36.625 -1.714 -17.190 1.00 0.00 C ATOM 20 O PRO A 2 -37.070 -1.336 -18.279 1.00 0.00 O ATOM 21 CB PRO A 2 -36.989 0.356 -15.684 1.00 0.00 C ATOM 22 CG PRO A 2 -36.926 1.508 -16.690 1.00 0.00 C ATOM 23 CD PRO A 2 -35.465 1.532 -17.141 1.00 0.00 C ATOM 0 HA PRO A 2 -35.557 -1.331 -15.426 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -37.994 -0.063 -15.627 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -36.727 0.693 -14.681 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -37.600 1.340 -17.530 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -37.217 2.453 -16.232 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -35.383 1.781 -18.199 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -34.895 2.281 -16.592 1.00 0.00 H new ATOM 31 N ASP A 3 -36.692 -2.997 -16.772 1.00 0.00 N ATOM 32 CA ASP A 3 -37.403 -4.087 -17.500 1.00 0.00 C ATOM 33 C ASP A 3 -36.838 -4.378 -18.916 1.00 0.00 C ATOM 34 O ASP A 3 -35.862 -5.127 -19.026 1.00 0.00 O ATOM 35 CB ASP A 3 -38.942 -3.955 -17.305 1.00 0.00 C ATOM 36 CG ASP A 3 -39.753 -5.207 -17.669 1.00 0.00 C ATOM 37 OD1 ASP A 3 -39.844 -6.132 -16.833 1.00 0.00 O ATOM 38 OD2 ASP A 3 -40.299 -5.269 -18.793 1.00 0.00 O ATOM 0 H ASP A 3 -36.250 -3.315 -15.909 1.00 0.00 H new ATOM 0 HA ASP A 3 -37.177 -5.050 -17.042 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -39.141 -3.702 -16.263 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -39.299 -3.121 -17.909 1.00 0.00 H new ATOM 43 N VAL A 4 -37.441 -3.805 -19.974 1.00 0.00 N ATOM 44 CA VAL A 4 -36.984 -4.028 -21.368 1.00 0.00 C ATOM 45 C VAL A 4 -36.987 -2.664 -22.117 1.00 0.00 C ATOM 46 O VAL A 4 -36.370 -1.701 -21.645 1.00 0.00 O ATOM 47 CB VAL A 4 -37.667 -5.319 -21.959 1.00 0.00 C ATOM 48 CG1 VAL A 4 -39.176 -5.222 -22.298 1.00 0.00 C ATOM 49 CG2 VAL A 4 -36.861 -5.912 -23.130 1.00 0.00 C ATOM 0 H VAL A 4 -38.246 -3.184 -19.895 1.00 0.00 H new ATOM 0 HA VAL A 4 -35.940 -4.319 -21.485 1.00 0.00 H new ATOM 0 HB VAL A 4 -37.643 -6.011 -21.118 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -39.522 -6.176 -22.696 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -39.737 -4.981 -21.395 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -39.332 -4.441 -23.042 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -37.367 -6.800 -23.507 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -36.781 -5.173 -23.928 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -35.863 -6.182 -22.785 1.00 0.00 H new ATOM 59 N SER A 5 -37.580 -2.608 -23.323 1.00 0.00 N ATOM 60 CA SER A 5 -37.308 -1.552 -24.348 1.00 0.00 C ATOM 61 C SER A 5 -35.789 -1.375 -24.690 1.00 0.00 C ATOM 62 O SER A 5 -35.239 -0.271 -24.603 1.00 0.00 O ATOM 63 CB SER A 5 -38.048 -0.228 -24.023 1.00 0.00 C ATOM 64 OG SER A 5 -39.454 -0.424 -23.930 1.00 0.00 O ATOM 0 H SER A 5 -38.270 -3.295 -23.628 1.00 0.00 H new ATOM 0 HA SER A 5 -37.737 -1.913 -25.283 1.00 0.00 H new ATOM 0 HB2 SER A 5 -37.674 0.178 -23.083 1.00 0.00 H new ATOM 0 HB3 SER A 5 -37.833 0.509 -24.797 1.00 0.00 H new ATOM 0 HG SER A 5 -39.890 0.429 -23.723 1.00 0.00 H new ATOM 70 N SER A 6 -35.114 -2.496 -25.038 1.00 0.00 N ATOM 71 CA SER A 6 -33.627 -2.569 -25.183 1.00 0.00 C ATOM 72 C SER A 6 -32.851 -2.255 -23.860 1.00 0.00 C ATOM 73 O SER A 6 -32.054 -1.313 -23.801 1.00 0.00 O ATOM 74 CB SER A 6 -33.118 -1.796 -26.430 1.00 0.00 C ATOM 75 OG SER A 6 -33.749 -2.249 -27.622 1.00 0.00 O ATOM 0 H SER A 6 -35.581 -3.383 -25.228 1.00 0.00 H new ATOM 0 HA SER A 6 -33.388 -3.615 -25.378 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.307 -0.730 -26.300 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.039 -1.920 -26.520 1.00 0.00 H new ATOM 0 HG SER A 6 -33.407 -1.741 -28.387 1.00 0.00 H new ATOM 81 N ALA A 7 -33.087 -3.063 -22.802 1.00 0.00 N ATOM 82 CA ALA A 7 -32.390 -2.915 -21.492 1.00 0.00 C ATOM 83 C ALA A 7 -30.964 -3.533 -21.427 1.00 0.00 C ATOM 84 O ALA A 7 -30.075 -2.905 -20.850 1.00 0.00 O ATOM 85 CB ALA A 7 -33.276 -3.469 -20.361 1.00 0.00 C ATOM 0 H ALA A 7 -33.758 -3.831 -22.825 1.00 0.00 H new ATOM 0 HA ALA A 7 -32.232 -1.844 -21.364 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -32.760 -3.358 -19.407 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -34.216 -2.918 -20.332 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -33.480 -4.524 -20.542 1.00 0.00 H new ATOM 91 N LEU A 8 -30.729 -4.724 -22.020 1.00 0.00 N ATOM 92 CA LEU A 8 -29.369 -5.291 -22.225 1.00 0.00 C ATOM 93 C LEU A 8 -28.422 -4.468 -23.160 1.00 0.00 C ATOM 94 O LEU A 8 -27.217 -4.440 -22.902 1.00 0.00 O ATOM 95 CB LEU A 8 -29.547 -6.762 -22.711 1.00 0.00 C ATOM 96 CG LEU A 8 -29.659 -7.892 -21.647 1.00 0.00 C ATOM 97 CD1 LEU A 8 -28.369 -8.075 -20.820 1.00 0.00 C ATOM 98 CD2 LEU A 8 -30.893 -7.770 -20.729 1.00 0.00 C ATOM 0 H LEU A 8 -31.475 -5.324 -22.372 1.00 0.00 H new ATOM 0 HA LEU A 8 -28.845 -5.246 -21.270 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -30.444 -6.800 -23.329 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -28.703 -7.000 -23.359 1.00 0.00 H new ATOM 0 HG LEU A 8 -29.802 -8.798 -22.237 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -28.512 -8.877 -20.096 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -27.543 -8.329 -21.485 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -28.139 -7.148 -20.294 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -30.899 -8.594 -20.016 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -30.853 -6.824 -20.190 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -31.800 -7.806 -21.332 1.00 0.00 H new ATOM 110 N ASP A 9 -28.956 -3.779 -24.192 1.00 0.00 N ATOM 111 CA ASP A 9 -28.219 -2.730 -24.955 1.00 0.00 C ATOM 112 C ASP A 9 -27.748 -1.509 -24.091 1.00 0.00 C ATOM 113 O ASP A 9 -26.588 -1.105 -24.198 1.00 0.00 O ATOM 114 CB ASP A 9 -29.106 -2.288 -26.152 1.00 0.00 C ATOM 115 CG ASP A 9 -28.359 -1.517 -27.249 1.00 0.00 C ATOM 116 OD1 ASP A 9 -27.740 -2.161 -28.125 1.00 0.00 O ATOM 117 OD2 ASP A 9 -28.384 -0.266 -27.233 1.00 0.00 O ATOM 0 H ASP A 9 -29.909 -3.929 -24.525 1.00 0.00 H new ATOM 0 HA ASP A 9 -27.287 -3.169 -25.311 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -29.563 -3.173 -26.595 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -29.917 -1.665 -25.776 1.00 0.00 H new ATOM 122 N LYS A 10 -28.631 -0.952 -23.235 1.00 0.00 N ATOM 123 CA LYS A 10 -28.270 0.087 -22.225 1.00 0.00 C ATOM 124 C LYS A 10 -27.285 -0.363 -21.093 1.00 0.00 C ATOM 125 O LYS A 10 -26.539 0.483 -20.597 1.00 0.00 O ATOM 126 CB LYS A 10 -29.571 0.667 -21.600 1.00 0.00 C ATOM 127 CG LYS A 10 -30.471 1.484 -22.559 1.00 0.00 C ATOM 128 CD LYS A 10 -31.841 1.889 -21.968 1.00 0.00 C ATOM 129 CE LYS A 10 -31.826 2.960 -20.858 1.00 0.00 C ATOM 130 NZ LYS A 10 -31.438 4.298 -21.343 1.00 0.00 N ATOM 0 H LYS A 10 -29.619 -1.205 -23.218 1.00 0.00 H new ATOM 0 HA LYS A 10 -27.714 0.842 -22.780 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -30.157 -0.158 -21.196 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -29.296 1.304 -20.759 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -29.937 2.387 -22.856 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -30.639 0.900 -23.464 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -32.469 2.251 -22.782 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -32.319 0.993 -21.571 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -32.816 3.018 -20.406 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -31.135 2.651 -20.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -31.447 4.971 -20.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -30.482 4.256 -21.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -32.111 4.612 -22.071 1.00 0.00 H new ATOM 144 N LEU A 11 -27.266 -1.652 -20.690 1.00 0.00 N ATOM 145 CA LEU A 11 -26.271 -2.208 -19.726 1.00 0.00 C ATOM 146 C LEU A 11 -24.838 -2.411 -20.311 1.00 0.00 C ATOM 147 O LEU A 11 -23.871 -2.102 -19.612 1.00 0.00 O ATOM 148 CB LEU A 11 -26.804 -3.545 -19.131 1.00 0.00 C ATOM 149 CG LEU A 11 -27.980 -3.430 -18.119 1.00 0.00 C ATOM 150 CD1 LEU A 11 -28.692 -4.784 -17.943 1.00 0.00 C ATOM 151 CD2 LEU A 11 -27.515 -2.894 -16.749 1.00 0.00 C ATOM 0 H LEU A 11 -27.939 -2.344 -21.020 1.00 0.00 H new ATOM 0 HA LEU A 11 -26.160 -1.455 -18.946 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -27.123 -4.183 -19.955 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -25.976 -4.053 -18.637 1.00 0.00 H new ATOM 0 HG LEU A 11 -28.686 -2.712 -18.536 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -29.510 -4.675 -17.230 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -29.089 -5.114 -18.903 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -27.982 -5.523 -17.571 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -28.369 -2.830 -16.074 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -26.770 -3.569 -16.328 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -27.078 -1.904 -16.875 1.00 0.00 H new ATOM 163 N LYS A 12 -24.678 -2.909 -21.555 1.00 0.00 N ATOM 164 CA LYS A 12 -23.359 -2.911 -22.261 1.00 0.00 C ATOM 165 C LYS A 12 -22.802 -1.519 -22.701 1.00 0.00 C ATOM 166 O LYS A 12 -21.581 -1.356 -22.741 1.00 0.00 O ATOM 167 CB LYS A 12 -23.337 -3.956 -23.402 1.00 0.00 C ATOM 168 CG LYS A 12 -24.245 -3.674 -24.618 1.00 0.00 C ATOM 169 CD LYS A 12 -24.341 -4.850 -25.600 1.00 0.00 C ATOM 170 CE LYS A 12 -23.097 -5.042 -26.490 1.00 0.00 C ATOM 171 NZ LYS A 12 -23.277 -6.161 -27.431 1.00 0.00 N ATOM 0 H LYS A 12 -25.439 -3.317 -22.099 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.644 -3.214 -21.496 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -22.311 -4.050 -23.758 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -23.619 -4.922 -22.984 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -25.245 -3.425 -24.264 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -23.867 -2.799 -25.148 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -24.513 -5.766 -25.035 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -25.211 -4.703 -26.240 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -22.900 -4.125 -27.046 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -22.225 -5.228 -25.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -22.423 -6.264 -28.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -23.440 -7.039 -26.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -24.095 -5.971 -28.044 1.00 0.00 H new ATOM 185 N GLU A 13 -23.670 -0.530 -23.002 1.00 0.00 N ATOM 186 CA GLU A 13 -23.253 0.883 -23.212 1.00 0.00 C ATOM 187 C GLU A 13 -22.870 1.596 -21.876 1.00 0.00 C ATOM 188 O GLU A 13 -21.757 2.124 -21.797 1.00 0.00 O ATOM 189 CB GLU A 13 -24.358 1.618 -24.027 1.00 0.00 C ATOM 190 CG GLU A 13 -24.068 3.077 -24.453 1.00 0.00 C ATOM 191 CD GLU A 13 -22.873 3.238 -25.399 1.00 0.00 C ATOM 192 OE1 GLU A 13 -23.051 3.102 -26.630 1.00 0.00 O ATOM 193 OE2 GLU A 13 -21.749 3.496 -24.914 1.00 0.00 O ATOM 0 H GLU A 13 -24.673 -0.681 -23.107 1.00 0.00 H new ATOM 0 HA GLU A 13 -22.333 0.909 -23.796 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -24.558 1.036 -24.927 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -25.273 1.614 -23.435 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -24.956 3.484 -24.937 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -23.890 3.675 -23.559 1.00 0.00 H new ATOM 200 N PHE A 14 -23.742 1.576 -20.840 1.00 0.00 N ATOM 201 CA PHE A 14 -23.360 1.978 -19.459 1.00 0.00 C ATOM 202 C PHE A 14 -22.753 0.757 -18.698 1.00 0.00 C ATOM 203 O PHE A 14 -23.415 0.081 -17.902 1.00 0.00 O ATOM 204 CB PHE A 14 -24.568 2.638 -18.734 1.00 0.00 C ATOM 205 CG PHE A 14 -24.184 3.355 -17.422 1.00 0.00 C ATOM 206 CD1 PHE A 14 -23.499 4.577 -17.462 1.00 0.00 C ATOM 207 CD2 PHE A 14 -24.459 2.765 -16.184 1.00 0.00 C ATOM 208 CE1 PHE A 14 -23.082 5.188 -16.282 1.00 0.00 C ATOM 209 CE2 PHE A 14 -24.044 3.381 -15.004 1.00 0.00 C ATOM 210 CZ PHE A 14 -23.356 4.590 -15.055 1.00 0.00 C ATOM 0 H PHE A 14 -24.716 1.286 -20.931 1.00 0.00 H new ATOM 0 HA PHE A 14 -22.580 2.738 -19.490 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -25.037 3.356 -19.407 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -25.313 1.872 -18.516 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -23.294 5.047 -18.412 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.995 1.828 -16.142 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -22.546 6.125 -16.319 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.256 2.920 -14.051 1.00 0.00 H new ATOM 0 HZ PHE A 14 -23.034 5.065 -14.140 1.00 0.00 H new ATOM 220 N GLY A 15 -21.475 0.500 -18.989 1.00 0.00 N ATOM 221 CA GLY A 15 -20.747 -0.705 -18.532 1.00 0.00 C ATOM 222 C GLY A 15 -19.404 -0.910 -19.273 1.00 0.00 C ATOM 223 O GLY A 15 -18.388 -1.110 -18.606 1.00 0.00 O ATOM 0 H GLY A 15 -20.902 1.126 -19.555 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.558 -0.626 -17.461 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.376 -1.582 -18.680 1.00 0.00 H new ATOM 227 N ASN A 16 -19.350 -0.738 -20.612 1.00 0.00 N ATOM 228 CA ASN A 16 -18.177 -0.097 -21.280 1.00 0.00 C ATOM 229 C ASN A 16 -17.816 1.338 -20.750 1.00 0.00 C ATOM 230 O ASN A 16 -16.631 1.644 -20.612 1.00 0.00 O ATOM 231 CB ASN A 16 -18.425 -0.088 -22.816 1.00 0.00 C ATOM 232 CG ASN A 16 -17.160 0.145 -23.667 1.00 0.00 C ATOM 233 OD1 ASN A 16 -16.284 -0.716 -23.759 1.00 0.00 O ATOM 234 ND2 ASN A 16 -17.034 1.302 -24.299 1.00 0.00 N ATOM 0 H ASN A 16 -20.090 -1.027 -21.251 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.302 -0.697 -21.031 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -18.871 -1.040 -23.105 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -19.153 0.689 -23.049 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -16.207 1.485 -24.867 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -17.764 2.010 -24.218 1.00 0.00 H new ATOM 241 N THR A 17 -18.808 2.180 -20.377 1.00 0.00 N ATOM 242 CA THR A 17 -18.604 3.277 -19.385 1.00 0.00 C ATOM 243 C THR A 17 -18.293 2.655 -17.980 1.00 0.00 C ATOM 244 O THR A 17 -18.838 1.618 -17.593 1.00 0.00 O ATOM 245 CB THR A 17 -19.850 4.216 -19.358 1.00 0.00 C ATOM 246 OG1 THR A 17 -20.201 4.632 -20.675 1.00 0.00 O ATOM 247 CG2 THR A 17 -19.673 5.498 -18.525 1.00 0.00 C ATOM 0 H THR A 17 -19.758 2.126 -20.744 1.00 0.00 H new ATOM 0 HA THR A 17 -17.751 3.891 -19.674 1.00 0.00 H new ATOM 0 HB THR A 17 -20.626 3.608 -18.893 1.00 0.00 H new ATOM 0 HG1 THR A 17 -20.682 3.909 -21.129 1.00 0.00 H new ATOM 0 HG21 THR A 17 -20.589 6.087 -18.565 1.00 0.00 H new ATOM 0 HG22 THR A 17 -19.457 5.233 -17.490 1.00 0.00 H new ATOM 0 HG23 THR A 17 -18.847 6.083 -18.929 1.00 0.00 H new ATOM 255 N LEU A 18 -17.382 3.296 -17.236 1.00 0.00 N ATOM 256 CA LEU A 18 -16.802 2.764 -15.945 1.00 0.00 C ATOM 257 C LEU A 18 -15.681 1.689 -16.034 1.00 0.00 C ATOM 258 O LEU A 18 -14.819 1.597 -15.154 1.00 0.00 O ATOM 259 CB LEU A 18 -17.821 2.407 -14.822 1.00 0.00 C ATOM 260 CG LEU A 18 -19.151 3.202 -14.717 1.00 0.00 C ATOM 261 CD1 LEU A 18 -20.092 2.581 -13.667 1.00 0.00 C ATOM 262 CD2 LEU A 18 -18.948 4.703 -14.431 1.00 0.00 C ATOM 0 H LEU A 18 -17.008 4.209 -17.495 1.00 0.00 H new ATOM 0 HA LEU A 18 -16.292 3.678 -15.639 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.078 1.354 -14.936 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -17.304 2.507 -13.868 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.615 3.130 -15.701 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -21.014 3.160 -13.617 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -20.323 1.554 -13.948 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.605 2.589 -12.692 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.918 5.196 -14.371 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.419 4.825 -13.486 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.363 5.151 -15.234 1.00 0.00 H new ATOM 274 N GLU A 19 -15.727 0.899 -17.099 1.00 0.00 N ATOM 275 CA GLU A 19 -14.681 -0.091 -17.465 1.00 0.00 C ATOM 276 C GLU A 19 -13.607 0.525 -18.408 1.00 0.00 C ATOM 277 O GLU A 19 -12.497 0.809 -17.952 1.00 0.00 O ATOM 278 CB GLU A 19 -15.335 -1.405 -17.973 1.00 0.00 C ATOM 279 CG GLU A 19 -14.399 -2.622 -18.147 1.00 0.00 C ATOM 280 CD GLU A 19 -13.841 -3.184 -16.835 1.00 0.00 C ATOM 281 OE1 GLU A 19 -14.484 -4.072 -16.234 1.00 0.00 O ATOM 282 OE2 GLU A 19 -12.757 -2.738 -16.400 1.00 0.00 O ATOM 0 H GLU A 19 -16.505 0.917 -17.758 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.117 -0.371 -16.575 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.128 -1.682 -17.278 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.810 -1.200 -18.933 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.943 -3.412 -18.664 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.566 -2.335 -18.789 1.00 0.00 H new ATOM 289 N ASP A 20 -13.942 0.742 -19.696 1.00 0.00 N ATOM 290 CA ASP A 20 -13.076 1.474 -20.662 1.00 0.00 C ATOM 291 C ASP A 20 -12.909 2.999 -20.358 1.00 0.00 C ATOM 292 O ASP A 20 -11.801 3.509 -20.531 1.00 0.00 O ATOM 293 CB ASP A 20 -13.609 1.210 -22.097 1.00 0.00 C ATOM 294 CG ASP A 20 -12.644 1.603 -23.226 1.00 0.00 C ATOM 295 OD1 ASP A 20 -11.733 0.809 -23.547 1.00 0.00 O ATOM 296 OD2 ASP A 20 -12.791 2.711 -23.788 1.00 0.00 O ATOM 0 H ASP A 20 -14.819 0.417 -20.103 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.063 1.085 -20.562 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.845 0.150 -22.192 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.542 1.757 -22.229 1.00 0.00 H new ATOM 301 N LYS A 21 -13.963 3.710 -19.893 1.00 0.00 N ATOM 302 CA LYS A 21 -13.843 5.109 -19.389 1.00 0.00 C ATOM 303 C LYS A 21 -12.908 5.297 -18.147 1.00 0.00 C ATOM 304 O LYS A 21 -12.189 6.300 -18.113 1.00 0.00 O ATOM 305 CB LYS A 21 -15.266 5.690 -19.160 1.00 0.00 C ATOM 306 CG LYS A 21 -15.378 7.198 -18.835 1.00 0.00 C ATOM 307 CD LYS A 21 -14.897 8.144 -19.955 1.00 0.00 C ATOM 308 CE LYS A 21 -15.059 9.626 -19.580 1.00 0.00 C ATOM 309 NZ LYS A 21 -14.581 10.510 -20.657 1.00 0.00 N ATOM 0 H LYS A 21 -14.913 3.340 -19.854 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.330 5.679 -20.163 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.857 5.494 -20.054 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.729 5.135 -18.344 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.419 7.429 -18.607 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.801 7.404 -17.933 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.849 7.940 -20.174 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.459 7.939 -20.866 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.108 9.838 -19.373 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.505 9.834 -18.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.704 11.503 -20.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.574 10.324 -20.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.127 10.328 -21.523 1.00 0.00 H new ATOM 323 N ALA A 22 -12.877 4.364 -17.168 1.00 0.00 N ATOM 324 CA ALA A 22 -11.815 4.350 -16.123 1.00 0.00 C ATOM 325 C ALA A 22 -10.393 3.948 -16.619 1.00 0.00 C ATOM 326 O ALA A 22 -9.420 4.551 -16.162 1.00 0.00 O ATOM 327 CB ALA A 22 -12.242 3.456 -14.952 1.00 0.00 C ATOM 0 H ALA A 22 -13.565 3.617 -17.076 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.717 5.387 -15.803 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.460 3.452 -14.193 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.166 3.840 -14.519 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.405 2.440 -15.311 1.00 0.00 H new ATOM 333 N ARG A 23 -10.265 2.972 -17.549 1.00 0.00 N ATOM 334 CA ARG A 23 -8.977 2.631 -18.217 1.00 0.00 C ATOM 335 C ARG A 23 -8.733 3.561 -19.455 1.00 0.00 C ATOM 336 O ARG A 23 -8.820 3.145 -20.613 1.00 0.00 O ATOM 337 CB ARG A 23 -9.044 1.117 -18.558 1.00 0.00 C ATOM 338 CG ARG A 23 -7.701 0.479 -18.985 1.00 0.00 C ATOM 339 CD ARG A 23 -7.809 -0.994 -19.433 1.00 0.00 C ATOM 340 NE ARG A 23 -8.175 -1.928 -18.334 1.00 0.00 N ATOM 341 CZ ARG A 23 -9.398 -2.468 -18.147 1.00 0.00 C ATOM 342 NH1 ARG A 23 -10.449 -2.234 -18.932 1.00 0.00 N ATOM 343 NH2 ARG A 23 -9.563 -3.279 -17.118 1.00 0.00 N ATOM 0 H ARG A 23 -11.048 2.397 -17.860 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.115 2.806 -17.573 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.422 0.581 -17.687 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.768 0.973 -19.360 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.278 1.064 -19.801 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.001 0.542 -18.152 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.554 -1.070 -20.225 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.856 -1.305 -19.860 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.444 -2.180 -17.669 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.357 -1.611 -19.735 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.345 -2.678 -18.730 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.780 -3.479 -16.496 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.473 -3.705 -16.946 1.00 0.00 H new ATOM 357 N GLU A 24 -8.470 4.845 -19.157 1.00 0.00 N ATOM 358 CA GLU A 24 -8.558 5.994 -20.105 1.00 0.00 C ATOM 359 C GLU A 24 -8.368 7.285 -19.251 1.00 0.00 C ATOM 360 O GLU A 24 -7.417 8.031 -19.502 1.00 0.00 O ATOM 361 CB GLU A 24 -9.847 6.063 -20.993 1.00 0.00 C ATOM 362 CG GLU A 24 -9.955 7.232 -21.998 1.00 0.00 C ATOM 363 CD GLU A 24 -8.879 7.230 -23.090 1.00 0.00 C ATOM 364 OE1 GLU A 24 -9.059 6.540 -24.118 1.00 0.00 O ATOM 365 OE2 GLU A 24 -7.847 7.917 -22.920 1.00 0.00 O ATOM 0 H GLU A 24 -8.180 5.132 -18.222 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.777 5.870 -20.855 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.922 5.130 -21.552 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.711 6.108 -20.330 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.936 7.198 -22.472 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.898 8.173 -21.450 1.00 0.00 H new ATOM 372 N LEU A 25 -9.249 7.546 -18.253 1.00 0.00 N ATOM 373 CA LEU A 25 -9.054 8.627 -17.249 1.00 0.00 C ATOM 374 C LEU A 25 -7.856 8.369 -16.280 1.00 0.00 C ATOM 375 O LEU A 25 -7.035 9.269 -16.105 1.00 0.00 O ATOM 376 CB LEU A 25 -10.406 8.858 -16.512 1.00 0.00 C ATOM 377 CG LEU A 25 -10.478 10.032 -15.495 1.00 0.00 C ATOM 378 CD1 LEU A 25 -10.239 11.414 -16.138 1.00 0.00 C ATOM 379 CD2 LEU A 25 -11.830 10.021 -14.754 1.00 0.00 C ATOM 0 H LEU A 25 -10.111 7.017 -18.120 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.767 9.543 -17.765 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.177 9.018 -17.266 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.663 7.940 -15.984 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.666 9.871 -14.786 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.303 12.187 -15.373 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.250 11.437 -16.595 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.995 11.596 -16.902 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.864 10.849 -14.046 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.641 10.127 -15.475 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.943 9.079 -14.217 1.00 0.00 H new ATOM 391 N ILE A 26 -7.738 7.161 -15.686 1.00 0.00 N ATOM 392 CA ILE A 26 -6.565 6.756 -14.849 1.00 0.00 C ATOM 393 C ILE A 26 -5.258 6.620 -15.706 1.00 0.00 C ATOM 394 O ILE A 26 -4.224 7.126 -15.268 1.00 0.00 O ATOM 395 CB ILE A 26 -6.904 5.502 -13.966 1.00 0.00 C ATOM 396 CG1 ILE A 26 -8.065 5.806 -12.968 1.00 0.00 C ATOM 397 CG2 ILE A 26 -5.680 4.957 -13.177 1.00 0.00 C ATOM 398 CD1 ILE A 26 -8.725 4.578 -12.344 1.00 0.00 C ATOM 0 H ILE A 26 -8.448 6.433 -15.767 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.348 7.556 -14.141 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.216 4.729 -14.669 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.679 6.437 -12.168 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.829 6.384 -13.489 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.983 4.091 -12.588 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.897 4.664 -13.877 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.300 5.733 -12.513 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.518 4.896 -11.667 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.148 3.953 -13.131 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.981 4.008 -11.789 1.00 0.00 H new ATOM 410 N SER A 27 -5.294 5.981 -16.898 1.00 0.00 N ATOM 411 CA SER A 27 -4.143 5.940 -17.853 1.00 0.00 C ATOM 412 C SER A 27 -3.559 7.318 -18.313 1.00 0.00 C ATOM 413 O SER A 27 -2.336 7.443 -18.435 1.00 0.00 O ATOM 414 CB SER A 27 -4.540 5.093 -19.087 1.00 0.00 C ATOM 415 OG SER A 27 -4.887 3.760 -18.725 1.00 0.00 O ATOM 0 H SER A 27 -6.116 5.478 -17.232 1.00 0.00 H new ATOM 0 HA SER A 27 -3.327 5.489 -17.288 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.383 5.563 -19.594 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.712 5.073 -19.796 1.00 0.00 H new ATOM 0 HG SER A 27 -5.133 3.256 -19.529 1.00 0.00 H new ATOM 421 N ARG A 28 -4.415 8.338 -18.528 1.00 0.00 N ATOM 422 CA ARG A 28 -3.985 9.753 -18.727 1.00 0.00 C ATOM 423 C ARG A 28 -3.400 10.430 -17.443 1.00 0.00 C ATOM 424 O ARG A 28 -2.407 11.156 -17.547 1.00 0.00 O ATOM 425 CB ARG A 28 -5.205 10.534 -19.291 1.00 0.00 C ATOM 426 CG ARG A 28 -4.916 11.980 -19.766 1.00 0.00 C ATOM 427 CD ARG A 28 -6.162 12.768 -20.212 1.00 0.00 C ATOM 428 NE ARG A 28 -7.042 13.124 -19.069 1.00 0.00 N ATOM 429 CZ ARG A 28 -8.122 13.921 -19.157 1.00 0.00 C ATOM 430 NH1 ARG A 28 -8.553 14.469 -20.292 1.00 0.00 N ATOM 431 NH2 ARG A 28 -8.796 14.177 -18.051 1.00 0.00 N ATOM 0 H ARG A 28 -5.426 8.212 -18.570 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.153 9.769 -19.431 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.617 9.972 -20.129 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.976 10.571 -18.522 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.428 12.524 -18.957 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.210 11.942 -20.595 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.850 13.678 -20.725 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.726 12.175 -20.931 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.811 12.737 -18.154 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.055 14.293 -21.165 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.381 15.065 -20.288 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.493 13.774 -17.164 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.620 14.778 -18.083 1.00 0.00 H new ATOM 445 N ILE A 29 -4.013 10.208 -16.262 1.00 0.00 N ATOM 446 CA ILE A 29 -3.599 10.812 -14.966 1.00 0.00 C ATOM 447 C ILE A 29 -2.287 10.122 -14.476 1.00 0.00 C ATOM 448 O ILE A 29 -1.202 10.631 -14.762 1.00 0.00 O ATOM 449 CB ILE A 29 -4.855 10.858 -14.013 1.00 0.00 C ATOM 450 CG1 ILE A 29 -5.951 11.862 -14.490 1.00 0.00 C ATOM 451 CG2 ILE A 29 -4.566 11.094 -12.508 1.00 0.00 C ATOM 452 CD1 ILE A 29 -5.612 13.360 -14.424 1.00 0.00 C ATOM 0 H ILE A 29 -4.823 9.595 -16.174 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.300 11.858 -15.027 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.229 9.837 -14.094 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.205 11.619 -15.522 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.847 11.692 -13.893 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.505 11.106 -11.955 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.932 10.293 -12.129 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.058 12.050 -12.381 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.461 13.941 -14.785 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.393 13.638 -13.393 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.741 13.564 -15.048 1.00 0.00 H new ATOM 464 N LYS A 30 -2.380 8.984 -13.762 1.00 0.00 N ATOM 465 CA LYS A 30 -1.221 8.293 -13.108 1.00 0.00 C ATOM 466 C LYS A 30 -0.398 9.230 -12.159 1.00 0.00 C ATOM 467 O LYS A 30 0.762 9.557 -12.428 1.00 0.00 O ATOM 468 CB LYS A 30 -0.315 7.513 -14.113 1.00 0.00 C ATOM 469 CG LYS A 30 -0.969 6.483 -15.063 1.00 0.00 C ATOM 470 CD LYS A 30 -1.692 5.276 -14.420 1.00 0.00 C ATOM 471 CE LYS A 30 -0.799 4.178 -13.806 1.00 0.00 C ATOM 472 NZ LYS A 30 -0.266 4.524 -12.475 1.00 0.00 N ATOM 0 H LYS A 30 -3.267 8.502 -13.614 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.671 7.536 -12.466 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.202 8.248 -14.729 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.446 6.990 -13.534 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.688 7.012 -15.688 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.194 6.097 -15.725 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.353 5.652 -13.639 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.324 4.815 -15.179 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.374 3.255 -13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.034 3.979 -14.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.084 3.653 -11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.621 5.055 -12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.959 5.108 -11.965 1.00 0.00 H new ATOM 486 N GLN A 31 -1.046 9.711 -11.076 1.00 0.00 N ATOM 487 CA GLN A 31 -0.552 10.824 -10.222 1.00 0.00 C ATOM 488 C GLN A 31 -0.316 12.171 -10.988 1.00 0.00 C ATOM 489 O GLN A 31 0.815 12.654 -11.093 1.00 0.00 O ATOM 490 CB GLN A 31 0.606 10.356 -9.302 1.00 0.00 C ATOM 491 CG GLN A 31 0.789 11.238 -8.053 1.00 0.00 C ATOM 492 CD GLN A 31 2.095 10.961 -7.293 1.00 0.00 C ATOM 493 OE1 GLN A 31 2.161 10.083 -6.433 1.00 0.00 O ATOM 494 NE2 GLN A 31 3.156 11.697 -7.591 1.00 0.00 N ATOM 0 H GLN A 31 -1.940 9.335 -10.762 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.363 11.098 -9.547 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.419 9.329 -8.988 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.534 10.350 -9.873 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.767 12.286 -8.352 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.054 11.081 -7.380 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.089 12.422 -8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.039 11.539 -7.106 1.00 0.00 H new ATOM 503 N SER A 32 -1.420 12.746 -11.516 1.00 0.00 N ATOM 504 CA SER A 32 -1.444 14.003 -12.337 1.00 0.00 C ATOM 505 C SER A 32 -1.043 13.717 -13.809 1.00 0.00 C ATOM 506 O SER A 32 -0.049 13.030 -14.053 1.00 0.00 O ATOM 507 CB SER A 32 -0.663 15.202 -11.736 1.00 0.00 C ATOM 508 OG SER A 32 -0.983 16.414 -12.412 1.00 0.00 O ATOM 0 H SER A 32 -2.350 12.347 -11.386 1.00 0.00 H new ATOM 0 HA SER A 32 -2.482 14.335 -12.318 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.900 15.300 -10.677 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.408 15.014 -11.807 1.00 0.00 H new ATOM 0 HG SER A 32 -0.479 17.154 -12.013 1.00 0.00 H new ATOM 514 N GLU A 33 -1.767 14.303 -14.788 1.00 0.00 N ATOM 515 CA GLU A 33 -1.347 14.278 -16.230 1.00 0.00 C ATOM 516 C GLU A 33 -0.151 15.217 -16.653 1.00 0.00 C ATOM 517 O GLU A 33 0.024 15.522 -17.837 1.00 0.00 O ATOM 518 CB GLU A 33 -2.606 14.421 -17.130 1.00 0.00 C ATOM 519 CG GLU A 33 -3.342 15.779 -17.097 1.00 0.00 C ATOM 520 CD GLU A 33 -4.646 15.760 -17.897 1.00 0.00 C ATOM 521 OE1 GLU A 33 -4.598 15.881 -19.141 1.00 0.00 O ATOM 522 OE2 GLU A 33 -5.727 15.618 -17.285 1.00 0.00 O ATOM 0 H GLU A 33 -2.642 14.800 -14.620 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.887 13.302 -16.387 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.310 14.221 -18.160 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.316 13.644 -16.845 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.558 16.046 -16.063 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.687 16.553 -17.496 1.00 0.00 H new ATOM 529 N LEU A 34 0.714 15.581 -15.688 1.00 0.00 N ATOM 530 CA LEU A 34 2.120 16.007 -15.922 1.00 0.00 C ATOM 531 C LEU A 34 3.056 14.761 -15.816 1.00 0.00 C ATOM 532 O LEU A 34 3.902 14.559 -16.690 1.00 0.00 O ATOM 533 CB LEU A 34 2.456 17.140 -14.907 1.00 0.00 C ATOM 534 CG LEU A 34 3.753 17.983 -15.086 1.00 0.00 C ATOM 535 CD1 LEU A 34 5.050 17.234 -14.724 1.00 0.00 C ATOM 536 CD2 LEU A 34 3.867 18.654 -16.470 1.00 0.00 C ATOM 0 H LEU A 34 0.457 15.590 -14.701 1.00 0.00 H new ATOM 0 HA LEU A 34 2.269 16.414 -16.922 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.615 17.834 -14.905 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.497 16.687 -13.917 1.00 0.00 H new ATOM 0 HG LEU A 34 3.642 18.779 -14.350 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.905 17.892 -14.877 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.012 16.925 -13.679 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.151 16.354 -15.359 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.795 19.224 -16.523 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.867 17.889 -17.246 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.020 19.324 -16.620 1.00 0.00 H new ATOM 548 N SER A 35 2.844 13.889 -14.804 1.00 0.00 N ATOM 549 CA SER A 35 3.121 12.437 -14.910 1.00 0.00 C ATOM 550 C SER A 35 2.164 11.707 -15.925 1.00 0.00 C ATOM 551 O SER A 35 1.635 12.313 -16.862 1.00 0.00 O ATOM 552 CB SER A 35 3.042 11.892 -13.463 1.00 0.00 C ATOM 553 OG SER A 35 3.776 10.681 -13.330 1.00 0.00 O ATOM 0 H SER A 35 2.478 14.170 -13.894 1.00 0.00 H new ATOM 0 HA SER A 35 4.108 12.246 -15.332 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.434 12.636 -12.769 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.000 11.721 -13.192 1.00 0.00 H new ATOM 0 HG SER A 35 3.711 10.359 -12.407 1.00 0.00 H new ATOM 559 N ALA A 36 2.049 10.373 -15.791 1.00 0.00 N ATOM 560 CA ALA A 36 1.787 9.417 -16.924 1.00 0.00 C ATOM 561 C ALA A 36 2.920 9.345 -17.992 1.00 0.00 C ATOM 562 O ALA A 36 3.415 8.257 -18.290 1.00 0.00 O ATOM 563 CB ALA A 36 0.397 9.552 -17.576 1.00 0.00 C ATOM 0 H ALA A 36 2.134 9.906 -14.888 1.00 0.00 H new ATOM 0 HA ALA A 36 1.788 8.452 -16.417 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.300 8.823 -18.381 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.375 9.371 -16.828 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.281 10.557 -17.981 1.00 0.00 H new ATOM 569 N LYS A 37 3.322 10.505 -18.540 1.00 0.00 N ATOM 570 CA LYS A 37 4.533 10.639 -19.400 1.00 0.00 C ATOM 571 C LYS A 37 5.893 10.506 -18.641 1.00 0.00 C ATOM 572 O LYS A 37 6.802 9.865 -19.172 1.00 0.00 O ATOM 573 CB LYS A 37 4.432 11.909 -20.290 1.00 0.00 C ATOM 574 CG LYS A 37 4.384 13.274 -19.562 1.00 0.00 C ATOM 575 CD LYS A 37 4.152 14.503 -20.463 1.00 0.00 C ATOM 576 CE LYS A 37 2.701 14.644 -20.966 1.00 0.00 C ATOM 577 NZ LYS A 37 2.525 15.869 -21.764 1.00 0.00 N ATOM 0 H LYS A 37 2.822 11.384 -18.405 1.00 0.00 H new ATOM 0 HA LYS A 37 4.542 9.772 -20.061 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.285 11.916 -20.968 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.537 11.821 -20.905 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.591 13.239 -18.815 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.322 13.412 -19.025 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.424 15.403 -19.911 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.820 14.443 -21.322 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.437 13.775 -21.568 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.020 14.661 -20.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.539 15.934 -22.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.754 16.699 -21.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.158 15.840 -22.589 1.00 0.00 H new ATOM 591 N MET A 38 6.022 11.045 -17.406 1.00 0.00 N ATOM 592 CA MET A 38 7.136 10.710 -16.476 1.00 0.00 C ATOM 593 C MET A 38 7.186 9.212 -16.048 1.00 0.00 C ATOM 594 O MET A 38 8.282 8.653 -16.060 1.00 0.00 O ATOM 595 CB MET A 38 7.105 11.611 -15.209 1.00 0.00 C ATOM 596 CG MET A 38 7.271 13.127 -15.434 1.00 0.00 C ATOM 597 SD MET A 38 8.807 13.511 -16.314 1.00 0.00 S ATOM 598 CE MET A 38 10.079 13.145 -15.083 1.00 0.00 C ATOM 0 H MET A 38 5.362 11.722 -17.024 1.00 0.00 H new ATOM 0 HA MET A 38 8.043 10.903 -17.049 1.00 0.00 H new ATOM 0 HB2 MET A 38 6.158 11.445 -14.696 1.00 0.00 H new ATOM 0 HB3 MET A 38 7.895 11.278 -14.535 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.422 13.505 -16.003 1.00 0.00 H new ATOM 0 HG3 MET A 38 7.265 13.640 -14.472 1.00 0.00 H new ATOM 0 HE1 MET A 38 11.058 13.409 -15.482 1.00 0.00 H new ATOM 0 HE2 MET A 38 9.887 13.723 -14.179 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.059 12.082 -14.845 1.00 0.00 H new ATOM 608 N ARG A 39 6.053 8.562 -15.688 1.00 0.00 N ATOM 609 CA ARG A 39 6.034 7.112 -15.312 1.00 0.00 C ATOM 610 C ARG A 39 6.312 6.109 -16.477 1.00 0.00 C ATOM 611 O ARG A 39 7.040 5.135 -16.263 1.00 0.00 O ATOM 612 CB ARG A 39 4.731 6.768 -14.539 1.00 0.00 C ATOM 613 CG ARG A 39 4.727 7.293 -13.085 1.00 0.00 C ATOM 614 CD ARG A 39 3.404 7.042 -12.345 1.00 0.00 C ATOM 615 NE ARG A 39 3.522 7.460 -10.927 1.00 0.00 N ATOM 616 CZ ARG A 39 2.592 7.230 -9.982 1.00 0.00 C ATOM 617 NH1 ARG A 39 1.410 6.666 -10.221 1.00 0.00 N ATOM 618 NH2 ARG A 39 2.869 7.587 -8.742 1.00 0.00 N ATOM 0 H ARG A 39 5.138 9.011 -15.648 1.00 0.00 H new ATOM 0 HA ARG A 39 6.891 6.974 -14.652 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.878 7.189 -15.072 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.598 5.686 -14.528 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.538 6.818 -12.534 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.932 8.364 -13.093 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.598 7.594 -12.828 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.143 5.985 -12.400 1.00 0.00 H new ATOM 0 HE ARG A 39 4.368 7.957 -10.648 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.164 6.379 -11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.750 6.521 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.765 8.023 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.187 7.427 -8.001 1.00 0.00 H new ATOM 632 N GLU A 40 5.798 6.360 -17.699 1.00 0.00 N ATOM 633 CA GLU A 40 6.262 5.673 -18.945 1.00 0.00 C ATOM 634 C GLU A 40 7.778 5.874 -19.285 1.00 0.00 C ATOM 635 O GLU A 40 8.435 4.909 -19.686 1.00 0.00 O ATOM 636 CB GLU A 40 5.373 6.088 -20.145 1.00 0.00 C ATOM 637 CG GLU A 40 3.932 5.531 -20.115 1.00 0.00 C ATOM 638 CD GLU A 40 3.044 6.132 -21.207 1.00 0.00 C ATOM 639 OE1 GLU A 40 2.427 7.195 -20.970 1.00 0.00 O ATOM 640 OE2 GLU A 40 2.960 5.546 -22.310 1.00 0.00 O ATOM 0 H GLU A 40 5.054 7.039 -17.860 1.00 0.00 H new ATOM 0 HA GLU A 40 6.157 4.606 -18.747 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.325 7.176 -20.183 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.855 5.758 -21.066 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.963 4.448 -20.233 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.489 5.733 -19.140 1.00 0.00 H new ATOM 647 N TRP A 41 8.328 7.093 -19.098 1.00 0.00 N ATOM 648 CA TRP A 41 9.787 7.365 -19.193 1.00 0.00 C ATOM 649 C TRP A 41 10.661 6.666 -18.098 1.00 0.00 C ATOM 650 O TRP A 41 11.736 6.182 -18.452 1.00 0.00 O ATOM 651 CB TRP A 41 9.981 8.909 -19.243 1.00 0.00 C ATOM 652 CG TRP A 41 11.418 9.397 -19.478 1.00 0.00 C ATOM 653 CD1 TRP A 41 11.991 9.726 -20.723 1.00 0.00 C ATOM 654 CD2 TRP A 41 12.422 9.582 -18.543 1.00 0.00 C ATOM 655 NE1 TRP A 41 13.338 10.113 -20.590 1.00 0.00 N ATOM 656 CE2 TRP A 41 13.585 10.014 -19.229 1.00 0.00 C ATOM 657 CE3 TRP A 41 12.455 9.352 -17.142 1.00 0.00 C ATOM 658 CZ2 TRP A 41 14.791 10.224 -18.519 1.00 0.00 C ATOM 659 CZ3 TRP A 41 13.657 9.568 -16.465 1.00 0.00 C ATOM 660 CH2 TRP A 41 14.804 9.999 -17.141 1.00 0.00 C ATOM 0 H TRP A 41 7.775 7.921 -18.876 1.00 0.00 H new ATOM 0 HA TRP A 41 10.161 6.910 -20.110 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.348 9.310 -20.034 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.623 9.331 -18.304 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.462 9.686 -21.664 1.00 0.00 H new ATOM 0 HE1 TRP A 41 13.984 10.400 -21.325 1.00 0.00 H new ATOM 0 HE3 TRP A 41 11.574 9.019 -16.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 15.683 10.552 -19.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 13.702 9.399 -15.399 1.00 0.00 H new ATOM 0 HH2 TRP A 41 15.717 10.161 -16.586 1.00 0.00 H new ATOM 671 N PHE A 42 10.261 6.630 -16.805 1.00 0.00 N ATOM 672 CA PHE A 42 11.040 5.935 -15.727 1.00 0.00 C ATOM 673 C PHE A 42 11.170 4.392 -15.928 1.00 0.00 C ATOM 674 O PHE A 42 12.238 3.834 -15.664 1.00 0.00 O ATOM 675 CB PHE A 42 10.458 6.222 -14.305 1.00 0.00 C ATOM 676 CG PHE A 42 10.657 7.632 -13.709 1.00 0.00 C ATOM 677 CD1 PHE A 42 11.944 8.146 -13.503 1.00 0.00 C ATOM 678 CD2 PHE A 42 9.553 8.381 -13.286 1.00 0.00 C ATOM 679 CE1 PHE A 42 12.117 9.409 -12.941 1.00 0.00 C ATOM 680 CE2 PHE A 42 9.726 9.644 -12.727 1.00 0.00 C ATOM 681 CZ PHE A 42 11.008 10.159 -12.559 1.00 0.00 C ATOM 0 H PHE A 42 9.404 7.072 -16.473 1.00 0.00 H new ATOM 0 HA PHE A 42 12.042 6.358 -15.805 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.387 6.021 -14.336 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.897 5.503 -13.614 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.807 7.560 -13.782 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.558 7.975 -13.394 1.00 0.00 H new ATOM 0 HE1 PHE A 42 13.112 9.806 -12.802 1.00 0.00 H new ATOM 0 HE2 PHE A 42 8.867 10.224 -12.424 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.143 11.142 -12.132 1.00 0.00 H new ATOM 691 N SER A 43 10.099 3.732 -16.412 1.00 0.00 N ATOM 692 CA SER A 43 10.143 2.313 -16.858 1.00 0.00 C ATOM 693 C SER A 43 11.021 2.037 -18.120 1.00 0.00 C ATOM 694 O SER A 43 11.807 1.089 -18.099 1.00 0.00 O ATOM 695 CB SER A 43 8.705 1.763 -17.007 1.00 0.00 C ATOM 696 OG SER A 43 7.963 2.439 -18.018 1.00 0.00 O ATOM 0 H SER A 43 9.178 4.161 -16.507 1.00 0.00 H new ATOM 0 HA SER A 43 10.660 1.764 -16.071 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.749 0.700 -17.243 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.183 1.857 -16.054 1.00 0.00 H new ATOM 0 HG SER A 43 8.472 3.215 -18.334 1.00 0.00 H new ATOM 702 N GLU A 44 10.914 2.861 -19.186 1.00 0.00 N ATOM 703 CA GLU A 44 11.784 2.760 -20.394 1.00 0.00 C ATOM 704 C GLU A 44 13.295 3.099 -20.171 1.00 0.00 C ATOM 705 O GLU A 44 14.141 2.413 -20.747 1.00 0.00 O ATOM 706 CB GLU A 44 11.137 3.602 -21.532 1.00 0.00 C ATOM 707 CG GLU A 44 11.754 3.453 -22.943 1.00 0.00 C ATOM 708 CD GLU A 44 11.657 2.043 -23.537 1.00 0.00 C ATOM 709 OE1 GLU A 44 10.622 1.717 -24.159 1.00 0.00 O ATOM 710 OE2 GLU A 44 12.615 1.252 -23.378 1.00 0.00 O ATOM 0 H GLU A 44 10.228 3.614 -19.240 1.00 0.00 H new ATOM 0 HA GLU A 44 11.826 1.708 -20.676 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.081 3.338 -21.593 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.187 4.653 -21.248 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.259 4.152 -23.617 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.804 3.743 -22.898 1.00 0.00 H new ATOM 717 N THR A 45 13.633 4.115 -19.352 1.00 0.00 N ATOM 718 CA THR A 45 15.033 4.411 -18.921 1.00 0.00 C ATOM 719 C THR A 45 15.675 3.281 -18.043 1.00 0.00 C ATOM 720 O THR A 45 16.835 2.936 -18.279 1.00 0.00 O ATOM 721 CB THR A 45 15.094 5.822 -18.262 1.00 0.00 C ATOM 722 OG1 THR A 45 14.554 6.806 -19.142 1.00 0.00 O ATOM 723 CG2 THR A 45 16.504 6.309 -17.879 1.00 0.00 C ATOM 0 H THR A 45 12.947 4.762 -18.964 1.00 0.00 H new ATOM 0 HA THR A 45 15.660 4.428 -19.812 1.00 0.00 H new ATOM 0 HB THR A 45 14.517 5.705 -17.345 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.576 6.801 -19.077 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.437 7.299 -17.429 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.947 5.615 -17.165 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.127 6.358 -18.772 1.00 0.00 H new ATOM 731 N PHE A 46 14.934 2.688 -17.080 1.00 0.00 N ATOM 732 CA PHE A 46 15.337 1.439 -16.369 1.00 0.00 C ATOM 733 C PHE A 46 15.635 0.213 -17.300 1.00 0.00 C ATOM 734 O PHE A 46 16.689 -0.410 -17.147 1.00 0.00 O ATOM 735 CB PHE A 46 14.244 1.157 -15.294 1.00 0.00 C ATOM 736 CG PHE A 46 14.482 -0.033 -14.347 1.00 0.00 C ATOM 737 CD1 PHE A 46 15.486 0.022 -13.374 1.00 0.00 C ATOM 738 CD2 PHE A 46 13.665 -1.167 -14.426 1.00 0.00 C ATOM 739 CE1 PHE A 46 15.671 -1.043 -12.495 1.00 0.00 C ATOM 740 CE2 PHE A 46 13.846 -2.227 -13.540 1.00 0.00 C ATOM 741 CZ PHE A 46 14.848 -2.164 -12.575 1.00 0.00 C ATOM 0 H PHE A 46 14.036 3.058 -16.768 1.00 0.00 H new ATOM 0 HA PHE A 46 16.307 1.595 -15.897 1.00 0.00 H new ATOM 0 HB2 PHE A 46 14.127 2.055 -14.687 1.00 0.00 H new ATOM 0 HB3 PHE A 46 13.297 0.995 -15.809 1.00 0.00 H new ATOM 0 HD1 PHE A 46 16.120 0.893 -13.304 1.00 0.00 H new ATOM 0 HD2 PHE A 46 12.891 -1.220 -15.177 1.00 0.00 H new ATOM 0 HE1 PHE A 46 16.453 -0.999 -11.751 1.00 0.00 H new ATOM 0 HE2 PHE A 46 13.209 -3.097 -13.602 1.00 0.00 H new ATOM 0 HZ PHE A 46 14.987 -2.985 -11.888 1.00 0.00 H new ATOM 751 N GLN A 47 14.749 -0.091 -18.272 1.00 0.00 N ATOM 752 CA GLN A 47 15.024 -1.071 -19.366 1.00 0.00 C ATOM 753 C GLN A 47 16.241 -0.737 -20.295 1.00 0.00 C ATOM 754 O GLN A 47 16.922 -1.667 -20.727 1.00 0.00 O ATOM 755 CB GLN A 47 13.749 -1.261 -20.235 1.00 0.00 C ATOM 756 CG GLN A 47 12.548 -1.945 -19.538 1.00 0.00 C ATOM 757 CD GLN A 47 11.306 -2.022 -20.440 1.00 0.00 C ATOM 758 OE1 GLN A 47 11.150 -2.948 -21.235 1.00 0.00 O ATOM 759 NE2 GLN A 47 10.400 -1.060 -20.340 1.00 0.00 N ATOM 0 H GLN A 47 13.822 0.331 -18.328 1.00 0.00 H new ATOM 0 HA GLN A 47 15.304 -1.989 -18.850 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.427 -0.282 -20.592 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.016 -1.848 -21.113 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.834 -2.952 -19.234 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.299 -1.396 -18.630 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.538 -0.296 -19.678 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.565 -1.083 -20.925 1.00 0.00 H new ATOM 768 N LYS A 48 16.521 0.550 -20.589 1.00 0.00 N ATOM 769 CA LYS A 48 17.719 0.992 -21.360 1.00 0.00 C ATOM 770 C LYS A 48 19.094 0.675 -20.684 1.00 0.00 C ATOM 771 O LYS A 48 19.994 0.201 -21.381 1.00 0.00 O ATOM 772 CB LYS A 48 17.532 2.498 -21.690 1.00 0.00 C ATOM 773 CG LYS A 48 18.544 3.096 -22.694 1.00 0.00 C ATOM 774 CD LYS A 48 18.256 4.559 -23.090 1.00 0.00 C ATOM 775 CE LYS A 48 18.454 5.583 -21.954 1.00 0.00 C ATOM 776 NZ LYS A 48 18.200 6.959 -22.415 1.00 0.00 N ATOM 0 H LYS A 48 15.922 1.323 -20.299 1.00 0.00 H new ATOM 0 HA LYS A 48 17.775 0.406 -22.277 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.527 2.642 -22.087 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.592 3.065 -20.761 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.543 3.039 -22.262 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.550 2.482 -23.595 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.904 4.830 -23.923 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.229 4.629 -23.449 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.783 5.346 -21.128 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.471 5.509 -21.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.342 7.621 -21.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.857 7.193 -23.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.221 7.035 -22.758 1.00 0.00 H new ATOM 790 N VAL A 49 19.251 0.887 -19.356 1.00 0.00 N ATOM 791 CA VAL A 49 20.422 0.372 -18.569 1.00 0.00 C ATOM 792 C VAL A 49 20.522 -1.186 -18.563 1.00 0.00 C ATOM 793 O VAL A 49 21.629 -1.710 -18.692 1.00 0.00 O ATOM 794 CB VAL A 49 20.471 0.882 -17.084 1.00 0.00 C ATOM 795 CG1 VAL A 49 21.853 0.664 -16.415 1.00 0.00 C ATOM 796 CG2 VAL A 49 20.092 2.367 -16.864 1.00 0.00 C ATOM 0 H VAL A 49 18.582 1.414 -18.794 1.00 0.00 H new ATOM 0 HA VAL A 49 21.279 0.786 -19.101 1.00 0.00 H new ATOM 0 HB VAL A 49 19.702 0.265 -16.619 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.824 1.036 -15.391 1.00 0.00 H new ATOM 0 HG12 VAL A 49 22.090 -0.400 -16.408 1.00 0.00 H new ATOM 0 HG13 VAL A 49 22.617 1.202 -16.975 1.00 0.00 H new ATOM 0 HG21 VAL A 49 20.161 2.607 -15.803 1.00 0.00 H new ATOM 0 HG22 VAL A 49 20.776 3.004 -17.425 1.00 0.00 H new ATOM 0 HG23 VAL A 49 19.072 2.537 -17.209 1.00 0.00 H new ATOM 806 N LYS A 50 19.401 -1.909 -18.375 1.00 0.00 N ATOM 807 CA LYS A 50 19.389 -3.395 -18.338 1.00 0.00 C ATOM 808 C LYS A 50 19.778 -4.086 -19.684 1.00 0.00 C ATOM 809 O LYS A 50 20.596 -5.009 -19.677 1.00 0.00 O ATOM 810 CB LYS A 50 18.006 -3.891 -17.834 1.00 0.00 C ATOM 811 CG LYS A 50 17.706 -3.629 -16.339 1.00 0.00 C ATOM 812 CD LYS A 50 16.217 -3.697 -15.933 1.00 0.00 C ATOM 813 CE LYS A 50 15.489 -5.045 -16.108 1.00 0.00 C ATOM 814 NZ LYS A 50 15.007 -5.277 -17.483 1.00 0.00 N ATOM 0 H LYS A 50 18.481 -1.488 -18.245 1.00 0.00 H new ATOM 0 HA LYS A 50 20.174 -3.690 -17.641 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.229 -3.413 -18.431 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.935 -4.963 -18.018 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.260 -4.355 -15.744 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.090 -2.643 -16.078 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.141 -3.408 -14.885 1.00 0.00 H new ATOM 0 HD3 LYS A 50 15.677 -2.946 -16.510 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.164 -5.853 -15.826 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.642 -5.084 -15.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.386 -6.111 -17.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.477 -4.444 -17.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.819 -5.440 -18.113 1.00 0.00 H new ATOM 828 N GLU A 51 19.243 -3.600 -20.821 1.00 0.00 N ATOM 829 CA GLU A 51 19.772 -3.890 -22.184 1.00 0.00 C ATOM 830 C GLU A 51 21.269 -3.500 -22.430 1.00 0.00 C ATOM 831 O GLU A 51 21.951 -4.221 -23.163 1.00 0.00 O ATOM 832 CB GLU A 51 18.873 -3.171 -23.232 1.00 0.00 C ATOM 833 CG GLU A 51 17.424 -3.698 -23.353 1.00 0.00 C ATOM 834 CD GLU A 51 16.545 -2.800 -24.228 1.00 0.00 C ATOM 835 OE1 GLU A 51 15.940 -1.843 -23.695 1.00 0.00 O ATOM 836 OE2 GLU A 51 16.455 -3.046 -25.451 1.00 0.00 O ATOM 0 H GLU A 51 18.426 -2.990 -20.828 1.00 0.00 H new ATOM 0 HA GLU A 51 19.744 -4.975 -22.285 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.834 -2.111 -22.982 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.351 -3.251 -24.208 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.440 -4.704 -23.772 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.984 -3.774 -22.359 1.00 0.00 H new ATOM 843 N LYS A 52 21.759 -2.382 -21.847 1.00 0.00 N ATOM 844 CA LYS A 52 23.170 -1.918 -22.015 1.00 0.00 C ATOM 845 C LYS A 52 23.989 -2.016 -20.682 1.00 0.00 C ATOM 846 O LYS A 52 24.672 -1.067 -20.283 1.00 0.00 O ATOM 847 CB LYS A 52 23.164 -0.473 -22.604 1.00 0.00 C ATOM 848 CG LYS A 52 22.458 -0.232 -23.961 1.00 0.00 C ATOM 849 CD LYS A 52 22.985 -1.031 -25.178 1.00 0.00 C ATOM 850 CE LYS A 52 24.447 -0.774 -25.599 1.00 0.00 C ATOM 851 NZ LYS A 52 24.674 0.586 -26.126 1.00 0.00 N ATOM 0 H LYS A 52 21.198 -1.775 -21.250 1.00 0.00 H new ATOM 0 HA LYS A 52 23.679 -2.580 -22.716 1.00 0.00 H new ATOM 0 HB2 LYS A 52 22.700 0.183 -21.868 1.00 0.00 H new ATOM 0 HB3 LYS A 52 24.201 -0.153 -22.708 1.00 0.00 H new ATOM 0 HG2 LYS A 52 21.399 -0.461 -23.838 1.00 0.00 H new ATOM 0 HG3 LYS A 52 22.529 0.830 -24.196 1.00 0.00 H new ATOM 0 HD2 LYS A 52 22.876 -2.093 -24.960 1.00 0.00 H new ATOM 0 HD3 LYS A 52 22.343 -0.813 -26.031 1.00 0.00 H new ATOM 0 HE2 LYS A 52 25.099 -0.937 -24.740 1.00 0.00 H new ATOM 0 HE3 LYS A 52 24.732 -1.502 -26.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.674 0.694 -26.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.076 0.738 -26.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 24.432 1.286 -25.396 1.00 0.00 H new ATOM 865 N LEU A 53 23.947 -3.185 -20.004 1.00 0.00 N ATOM 866 CA LEU A 53 24.614 -3.391 -18.688 1.00 0.00 C ATOM 867 C LEU A 53 26.160 -3.627 -18.791 1.00 0.00 C ATOM 868 O LEU A 53 26.680 -3.945 -19.868 1.00 0.00 O ATOM 869 CB LEU A 53 23.812 -4.447 -17.867 1.00 0.00 C ATOM 870 CG LEU A 53 24.161 -5.942 -18.066 1.00 0.00 C ATOM 871 CD1 LEU A 53 23.502 -6.822 -16.987 1.00 0.00 C ATOM 872 CD2 LEU A 53 23.844 -6.499 -19.470 1.00 0.00 C ATOM 0 H LEU A 53 23.455 -4.010 -20.346 1.00 0.00 H new ATOM 0 HA LEU A 53 24.581 -2.462 -18.118 1.00 0.00 H new ATOM 0 HB2 LEU A 53 23.937 -4.213 -16.810 1.00 0.00 H new ATOM 0 HB3 LEU A 53 22.755 -4.317 -18.099 1.00 0.00 H new ATOM 0 HG LEU A 53 25.245 -5.984 -17.964 1.00 0.00 H new ATOM 0 HD11 LEU A 53 23.768 -7.865 -17.156 1.00 0.00 H new ATOM 0 HD12 LEU A 53 23.852 -6.514 -16.002 1.00 0.00 H new ATOM 0 HD13 LEU A 53 22.419 -6.710 -17.038 1.00 0.00 H new ATOM 0 HD21 LEU A 53 24.122 -7.552 -19.515 1.00 0.00 H new ATOM 0 HD22 LEU A 53 22.777 -6.396 -19.670 1.00 0.00 H new ATOM 0 HD23 LEU A 53 24.409 -5.943 -20.218 1.00 0.00 H new ATOM 884 N LYS A 54 26.886 -3.500 -17.658 1.00 0.00 N ATOM 885 CA LYS A 54 28.348 -3.768 -17.598 1.00 0.00 C ATOM 886 C LYS A 54 28.570 -5.292 -17.391 1.00 0.00 C ATOM 887 O LYS A 54 28.255 -5.841 -16.329 1.00 0.00 O ATOM 888 CB LYS A 54 28.982 -2.887 -16.483 1.00 0.00 C ATOM 889 CG LYS A 54 30.526 -2.773 -16.474 1.00 0.00 C ATOM 890 CD LYS A 54 31.286 -3.960 -15.845 1.00 0.00 C ATOM 891 CE LYS A 54 32.804 -3.716 -15.762 1.00 0.00 C ATOM 892 NZ LYS A 54 33.496 -4.849 -15.122 1.00 0.00 N ATOM 0 H LYS A 54 26.484 -3.212 -16.766 1.00 0.00 H new ATOM 0 HA LYS A 54 28.846 -3.498 -18.529 1.00 0.00 H new ATOM 0 HB2 LYS A 54 28.568 -1.882 -16.568 1.00 0.00 H new ATOM 0 HB3 LYS A 54 28.665 -3.282 -15.518 1.00 0.00 H new ATOM 0 HG2 LYS A 54 30.868 -2.651 -17.502 1.00 0.00 H new ATOM 0 HG3 LYS A 54 30.801 -1.865 -15.937 1.00 0.00 H new ATOM 0 HD2 LYS A 54 30.897 -4.146 -14.844 1.00 0.00 H new ATOM 0 HD3 LYS A 54 31.098 -4.859 -16.432 1.00 0.00 H new ATOM 0 HE2 LYS A 54 33.205 -3.562 -16.764 1.00 0.00 H new ATOM 0 HE3 LYS A 54 32.997 -2.804 -15.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 34.522 -4.677 -15.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 33.166 -4.948 -14.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 33.289 -5.723 -15.646 1.00 0.00 H new ATOM 906 N ILE A 55 29.110 -5.951 -18.431 1.00 0.00 N ATOM 907 CA ILE A 55 29.390 -7.414 -18.424 1.00 0.00 C ATOM 908 C ILE A 55 30.801 -7.633 -19.050 1.00 0.00 C ATOM 909 O ILE A 55 30.942 -7.849 -20.257 1.00 0.00 O ATOM 910 CB ILE A 55 28.234 -8.307 -19.026 1.00 0.00 C ATOM 911 CG1 ILE A 55 27.406 -7.740 -20.219 1.00 0.00 C ATOM 912 CG2 ILE A 55 27.239 -8.747 -17.925 1.00 0.00 C ATOM 913 CD1 ILE A 55 28.213 -7.373 -21.465 1.00 0.00 C ATOM 0 H ILE A 55 29.368 -5.492 -19.305 1.00 0.00 H new ATOM 0 HA ILE A 55 29.409 -7.775 -17.396 1.00 0.00 H new ATOM 0 HB ILE A 55 28.803 -9.136 -19.447 1.00 0.00 H new ATOM 0 HG12 ILE A 55 26.653 -8.477 -20.499 1.00 0.00 H new ATOM 0 HG13 ILE A 55 26.872 -6.853 -19.879 1.00 0.00 H new ATOM 0 HG21 ILE A 55 26.454 -9.360 -18.368 1.00 0.00 H new ATOM 0 HG22 ILE A 55 27.767 -9.326 -17.167 1.00 0.00 H new ATOM 0 HG23 ILE A 55 26.794 -7.866 -17.464 1.00 0.00 H new ATOM 0 HD11 ILE A 55 27.542 -6.989 -22.233 1.00 0.00 H new ATOM 0 HD12 ILE A 55 28.948 -6.609 -21.211 1.00 0.00 H new ATOM 0 HD13 ILE A 55 28.726 -8.259 -21.840 1.00 0.00 H new ATOM 925 N ASP A 56 31.853 -7.564 -18.205 1.00 0.00 N ATOM 926 CA ASP A 56 33.265 -7.736 -18.643 1.00 0.00 C ATOM 927 C ASP A 56 34.015 -8.516 -17.522 1.00 0.00 C ATOM 928 O ASP A 56 33.988 -9.749 -17.547 1.00 0.00 O ATOM 929 CB ASP A 56 33.858 -6.369 -19.104 1.00 0.00 C ATOM 930 CG ASP A 56 35.241 -6.467 -19.761 1.00 0.00 C ATOM 931 OD1 ASP A 56 35.316 -6.772 -20.972 1.00 0.00 O ATOM 932 OD2 ASP A 56 36.258 -6.243 -19.067 1.00 0.00 O ATOM 0 H ASP A 56 31.754 -7.389 -17.205 1.00 0.00 H new ATOM 0 HA ASP A 56 33.374 -8.348 -19.538 1.00 0.00 H new ATOM 0 HB2 ASP A 56 33.167 -5.906 -19.808 1.00 0.00 H new ATOM 0 HB3 ASP A 56 33.925 -5.707 -18.241 1.00 0.00 H new ATOM 937 N SER A 57 34.667 -7.824 -16.556 1.00 0.00 N ATOM 938 CA SER A 57 35.399 -8.443 -15.414 1.00 0.00 C ATOM 939 C SER A 57 36.696 -9.153 -15.865 1.00 0.00 C ATOM 940 O SER A 57 36.641 -10.321 -16.315 1.00 0.00 O ATOM 941 CB SER A 57 34.525 -9.300 -14.462 1.00 0.00 C ATOM 942 OG SER A 57 33.438 -8.544 -13.943 1.00 0.00 O ATOM 943 OXT SER A 57 37.780 -8.534 -15.775 1.00 0.00 O ATOM 0 H SER A 57 34.702 -6.805 -16.545 1.00 0.00 H new ATOM 0 HA SER A 57 35.702 -7.603 -14.789 1.00 0.00 H new ATOM 0 HB2 SER A 57 34.144 -10.169 -14.998 1.00 0.00 H new ATOM 0 HB3 SER A 57 35.136 -9.674 -13.641 1.00 0.00 H new ATOM 0 HG SER A 57 32.902 -9.108 -13.347 1.00 0.00 H new TER 949 SER A 57