USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ 172:sc= 0.443 (180deg=0) USER MOD Set 1.2: A 88 THR OG1 : rot -92:sc= 1.65 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -38:sc= 1.11 USER MOD Single : A 28 SER OG : rot 170:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00643 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000816) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.85 K(o=0.85,f=-3.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.031 K(o=-0.031,f=-3.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0709 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc=-0.00212 X(o=-0.0021,f=-0.0021) USER MOD Single : A 84 THR OG1 : rot 93:sc= 1.22 USER MOD Single : A 87 ASN : amide:sc= -0.0513 K(o=-0.051,f=-1.1) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 25.940 38.814 19.850 1.00 0.00 N ATOM 45 CA ASP A 12 26.913 39.047 18.827 1.00 0.00 C ATOM 46 C ASP A 12 27.622 37.789 18.462 1.00 0.00 C ATOM 47 O ASP A 12 27.718 36.856 19.258 1.00 0.00 O ATOM 48 CB ASP A 12 27.875 40.143 19.317 1.00 0.00 C ATOM 49 CG ASP A 12 28.568 40.902 18.195 1.00 0.00 C ATOM 50 OD1 ASP A 12 28.358 40.562 17.000 1.00 0.00 O ATOM 51 OD2 ASP A 12 29.294 41.887 18.497 1.00 0.00 O ATOM 0 HA ASP A 12 26.425 39.389 17.914 1.00 0.00 H new ATOM 0 HB2 ASP A 12 27.320 40.851 19.933 1.00 0.00 H new ATOM 0 HB3 ASP A 12 28.632 39.689 19.957 1.00 0.00 H new ATOM 56 N THR A 13 28.120 37.675 17.217 1.00 0.00 N ATOM 57 CA THR A 13 28.759 36.506 16.700 1.00 0.00 C ATOM 58 C THR A 13 30.218 36.750 16.521 1.00 0.00 C ATOM 59 O THR A 13 30.635 37.799 16.033 1.00 0.00 O ATOM 60 CB THR A 13 28.219 36.002 15.394 1.00 0.00 C ATOM 61 OG1 THR A 13 27.272 36.878 14.803 1.00 0.00 O ATOM 62 CG2 THR A 13 27.497 34.665 15.631 1.00 0.00 C ATOM 0 H THR A 13 28.074 38.436 16.539 1.00 0.00 H new ATOM 0 HA THR A 13 28.555 35.739 17.447 1.00 0.00 H new ATOM 0 HB THR A 13 29.074 35.910 14.725 1.00 0.00 H new ATOM 0 HG1 THR A 13 26.958 36.497 13.956 1.00 0.00 H new ATOM 0 HG21 THR A 13 27.102 34.292 14.686 1.00 0.00 H new ATOM 0 HG22 THR A 13 28.200 33.940 16.042 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.677 34.814 16.334 1.00 0.00 H new ATOM 70 N PHE A 14 31.062 35.758 16.856 1.00 0.00 N ATOM 71 CA PHE A 14 32.466 35.851 16.606 1.00 0.00 C ATOM 72 C PHE A 14 33.025 34.506 16.289 1.00 0.00 C ATOM 73 O PHE A 14 32.505 33.457 16.668 1.00 0.00 O ATOM 74 CB PHE A 14 33.345 36.517 17.679 1.00 0.00 C ATOM 75 CG PHE A 14 32.621 37.023 18.877 1.00 0.00 C ATOM 76 CD1 PHE A 14 32.286 36.159 19.894 1.00 0.00 C ATOM 77 CD2 PHE A 14 32.339 38.361 19.019 1.00 0.00 C ATOM 78 CE1 PHE A 14 31.672 36.614 21.036 1.00 0.00 C ATOM 79 CE2 PHE A 14 31.740 38.831 20.164 1.00 0.00 C ATOM 80 CZ PHE A 14 31.414 37.957 21.174 1.00 0.00 C ATOM 0 H PHE A 14 30.770 34.888 17.302 1.00 0.00 H new ATOM 0 HA PHE A 14 32.512 36.537 15.760 1.00 0.00 H new ATOM 0 HB2 PHE A 14 34.096 35.798 18.007 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.880 37.349 17.221 1.00 0.00 H new ATOM 0 HD1 PHE A 14 32.509 35.107 19.793 1.00 0.00 H new ATOM 0 HD2 PHE A 14 32.590 39.049 18.225 1.00 0.00 H new ATOM 0 HE1 PHE A 14 31.395 35.923 21.818 1.00 0.00 H new ATOM 0 HE2 PHE A 14 31.526 39.884 20.270 1.00 0.00 H new ATOM 0 HZ PHE A 14 30.954 38.327 22.078 1.00 0.00 H new ATOM 90 N GLU A 15 34.147 34.516 15.549 1.00 0.00 N ATOM 91 CA GLU A 15 34.901 33.367 15.154 1.00 0.00 C ATOM 92 C GLU A 15 36.169 33.377 15.936 1.00 0.00 C ATOM 93 O GLU A 15 36.722 34.434 16.234 1.00 0.00 O ATOM 94 CB GLU A 15 35.143 33.348 13.635 1.00 0.00 C ATOM 95 CG GLU A 15 33.900 33.780 12.856 1.00 0.00 C ATOM 96 CD GLU A 15 33.838 33.355 11.396 1.00 0.00 C ATOM 97 OE1 GLU A 15 34.786 32.701 10.886 1.00 0.00 O ATOM 98 OE2 GLU A 15 32.810 33.671 10.741 1.00 0.00 O ATOM 0 H GLU A 15 34.554 35.385 15.204 1.00 0.00 H new ATOM 0 HA GLU A 15 34.349 32.452 15.368 1.00 0.00 H new ATOM 0 HB2 GLU A 15 35.973 34.011 13.391 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.435 32.344 13.326 1.00 0.00 H new ATOM 0 HG2 GLU A 15 33.022 33.383 13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.830 34.867 12.899 1.00 0.00 H new ATOM 105 N VAL A 16 36.651 32.196 16.363 1.00 0.00 N ATOM 106 CA VAL A 16 37.748 32.044 17.267 1.00 0.00 C ATOM 107 C VAL A 16 38.795 31.212 16.610 1.00 0.00 C ATOM 108 O VAL A 16 38.652 29.999 16.466 1.00 0.00 O ATOM 109 CB VAL A 16 37.272 31.448 18.559 1.00 0.00 C ATOM 110 CG1 VAL A 16 38.402 30.884 19.436 1.00 0.00 C ATOM 111 CG2 VAL A 16 36.520 32.533 19.346 1.00 0.00 C ATOM 0 H VAL A 16 36.256 31.305 16.063 1.00 0.00 H new ATOM 0 HA VAL A 16 38.184 33.013 17.509 1.00 0.00 H new ATOM 0 HB VAL A 16 36.628 30.606 18.306 1.00 0.00 H new ATOM 0 HG11 VAL A 16 37.980 30.471 20.352 1.00 0.00 H new ATOM 0 HG12 VAL A 16 38.927 30.099 18.892 1.00 0.00 H new ATOM 0 HG13 VAL A 16 39.101 31.682 19.686 1.00 0.00 H new ATOM 0 HG21 VAL A 16 36.166 32.118 20.290 1.00 0.00 H new ATOM 0 HG22 VAL A 16 37.191 33.368 19.546 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.669 32.883 18.761 1.00 0.00 H new ATOM 121 N GLU A 17 39.906 31.835 16.177 1.00 0.00 N ATOM 122 CA GLU A 17 41.078 31.150 15.729 1.00 0.00 C ATOM 123 C GLU A 17 42.042 31.034 16.859 1.00 0.00 C ATOM 124 O GLU A 17 42.764 31.975 17.187 1.00 0.00 O ATOM 125 CB GLU A 17 41.740 31.870 14.540 1.00 0.00 C ATOM 126 CG GLU A 17 41.038 31.546 13.219 1.00 0.00 C ATOM 127 CD GLU A 17 41.592 32.322 12.033 1.00 0.00 C ATOM 128 OE1 GLU A 17 42.234 33.389 12.220 1.00 0.00 O ATOM 129 OE2 GLU A 17 41.365 31.853 10.886 1.00 0.00 O ATOM 0 H GLU A 17 39.991 32.851 16.138 1.00 0.00 H new ATOM 0 HA GLU A 17 40.784 30.158 15.387 1.00 0.00 H new ATOM 0 HB2 GLU A 17 41.718 32.947 14.709 1.00 0.00 H new ATOM 0 HB3 GLU A 17 42.788 31.578 14.476 1.00 0.00 H new ATOM 0 HG2 GLU A 17 41.130 30.478 13.020 1.00 0.00 H new ATOM 0 HG3 GLU A 17 39.974 31.761 13.319 1.00 0.00 H new ATOM 136 N LEU A 18 42.044 29.867 17.527 1.00 0.00 N ATOM 137 CA LEU A 18 42.725 29.662 18.767 1.00 0.00 C ATOM 138 C LEU A 18 43.760 28.594 18.682 1.00 0.00 C ATOM 139 O LEU A 18 43.501 27.472 18.248 1.00 0.00 O ATOM 140 CB LEU A 18 41.685 29.235 19.817 1.00 0.00 C ATOM 141 CG LEU A 18 42.175 29.188 21.274 1.00 0.00 C ATOM 142 CD1 LEU A 18 42.495 30.603 21.786 1.00 0.00 C ATOM 143 CD2 LEU A 18 41.097 28.523 22.147 1.00 0.00 C ATOM 0 H LEU A 18 41.554 29.037 17.192 1.00 0.00 H new ATOM 0 HA LEU A 18 43.226 30.593 19.032 1.00 0.00 H new ATOM 0 HB2 LEU A 18 40.840 29.921 19.761 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.312 28.247 19.548 1.00 0.00 H new ATOM 0 HG LEU A 18 43.093 28.602 21.327 1.00 0.00 H new ATOM 0 HD11 LEU A 18 42.840 30.547 22.818 1.00 0.00 H new ATOM 0 HD12 LEU A 18 43.275 31.046 21.167 1.00 0.00 H new ATOM 0 HD13 LEU A 18 41.598 31.220 21.736 1.00 0.00 H new ATOM 0 HD21 LEU A 18 41.438 28.486 23.182 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.175 29.101 22.089 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.913 27.510 21.790 1.00 0.00 H new ATOM 155 N ALA A 19 44.991 28.877 19.143 1.00 0.00 N ATOM 156 CA ALA A 19 46.039 27.916 19.298 1.00 0.00 C ATOM 157 C ALA A 19 46.121 27.497 20.726 1.00 0.00 C ATOM 158 O ALA A 19 46.279 28.306 21.638 1.00 0.00 O ATOM 159 CB ALA A 19 47.402 28.446 18.820 1.00 0.00 C ATOM 0 H ALA A 19 45.269 29.818 19.420 1.00 0.00 H new ATOM 0 HA ALA A 19 45.796 27.059 18.670 1.00 0.00 H new ATOM 0 HB1 ALA A 19 48.161 27.677 18.960 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.341 28.707 17.763 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.671 29.331 19.397 1.00 0.00 H new ATOM 165 N LYS A 20 46.005 26.179 20.967 1.00 0.00 N ATOM 166 CA LYS A 20 45.995 25.569 22.260 1.00 0.00 C ATOM 167 C LYS A 20 47.316 25.627 22.946 1.00 0.00 C ATOM 168 O LYS A 20 48.288 25.028 22.489 1.00 0.00 O ATOM 169 CB LYS A 20 45.569 24.112 22.013 1.00 0.00 C ATOM 170 CG LYS A 20 45.333 23.235 23.244 1.00 0.00 C ATOM 171 CD LYS A 20 45.177 21.756 22.883 1.00 0.00 C ATOM 172 CE LYS A 20 43.919 21.399 22.091 1.00 0.00 C ATOM 173 NZ LYS A 20 43.963 19.985 21.654 1.00 0.00 N ATOM 0 H LYS A 20 45.913 25.499 20.213 1.00 0.00 H new ATOM 0 HA LYS A 20 45.315 26.100 22.926 1.00 0.00 H new ATOM 0 HB2 LYS A 20 44.651 24.123 21.425 1.00 0.00 H new ATOM 0 HB3 LYS A 20 46.334 23.635 21.400 1.00 0.00 H new ATOM 0 HG2 LYS A 20 46.167 23.352 23.936 1.00 0.00 H new ATOM 0 HG3 LYS A 20 44.438 23.576 23.764 1.00 0.00 H new ATOM 0 HD2 LYS A 20 46.048 21.448 22.305 1.00 0.00 H new ATOM 0 HD3 LYS A 20 45.183 21.173 23.804 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.035 21.568 22.706 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.832 22.051 21.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.047 19.722 21.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.714 19.864 20.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.159 19.375 22.473 1.00 0.00 H new ATOM 187 N THR A 21 47.433 26.351 24.075 1.00 0.00 N ATOM 188 CA THR A 21 48.666 26.565 24.767 1.00 0.00 C ATOM 189 C THR A 21 48.830 25.597 25.887 1.00 0.00 C ATOM 190 O THR A 21 47.924 25.388 26.692 1.00 0.00 O ATOM 191 CB THR A 21 48.889 27.975 25.228 1.00 0.00 C ATOM 192 OG1 THR A 21 50.181 28.171 25.781 1.00 0.00 O ATOM 193 CG2 THR A 21 47.868 28.446 26.277 1.00 0.00 C ATOM 0 H THR A 21 46.637 26.805 24.523 1.00 0.00 H new ATOM 0 HA THR A 21 49.444 26.384 24.025 1.00 0.00 H new ATOM 0 HB THR A 21 48.773 28.564 24.319 1.00 0.00 H new ATOM 0 HG1 THR A 21 50.277 29.104 26.064 1.00 0.00 H new ATOM 0 HG21 THR A 21 48.090 29.474 26.565 1.00 0.00 H new ATOM 0 HG22 THR A 21 46.864 28.396 25.856 1.00 0.00 H new ATOM 0 HG23 THR A 21 47.926 27.803 27.155 1.00 0.00 H new ATOM 201 N ASP A 22 49.996 24.928 25.947 1.00 0.00 N ATOM 202 CA ASP A 22 50.376 23.888 26.851 1.00 0.00 C ATOM 203 C ASP A 22 49.316 22.879 27.128 1.00 0.00 C ATOM 204 O ASP A 22 48.981 22.564 28.269 1.00 0.00 O ATOM 205 CB ASP A 22 51.023 24.484 28.113 1.00 0.00 C ATOM 206 CG ASP A 22 52.001 23.511 28.757 1.00 0.00 C ATOM 207 OD1 ASP A 22 53.101 23.289 28.186 1.00 0.00 O ATOM 208 OD2 ASP A 22 51.688 22.952 29.842 1.00 0.00 O ATOM 0 H ASP A 22 50.749 25.141 25.292 1.00 0.00 H new ATOM 0 HA ASP A 22 51.134 23.292 26.342 1.00 0.00 H new ATOM 0 HB2 ASP A 22 51.544 25.406 27.854 1.00 0.00 H new ATOM 0 HB3 ASP A 22 50.246 24.748 28.831 1.00 0.00 H new ATOM 213 N GLY A 23 48.693 22.348 26.060 1.00 0.00 N ATOM 214 CA GLY A 23 47.631 21.394 26.142 1.00 0.00 C ATOM 215 C GLY A 23 46.310 21.881 26.629 1.00 0.00 C ATOM 216 O GLY A 23 45.433 21.067 26.912 1.00 0.00 O ATOM 0 H GLY A 23 48.939 22.593 25.101 1.00 0.00 H new ATOM 0 HA2 GLY A 23 47.487 20.964 25.151 1.00 0.00 H new ATOM 0 HA3 GLY A 23 47.954 20.585 26.797 1.00 0.00 H new ATOM 220 N SER A 24 46.092 23.201 26.766 1.00 0.00 N ATOM 221 CA SER A 24 44.892 23.749 27.315 1.00 0.00 C ATOM 222 C SER A 24 44.163 24.661 26.388 1.00 0.00 C ATOM 223 O SER A 24 44.713 25.601 25.816 1.00 0.00 O ATOM 224 CB SER A 24 45.121 24.452 28.662 1.00 0.00 C ATOM 225 OG SER A 24 45.885 25.647 28.582 1.00 0.00 O ATOM 0 H SER A 24 46.772 23.908 26.486 1.00 0.00 H new ATOM 0 HA SER A 24 44.257 22.878 27.479 1.00 0.00 H new ATOM 0 HB2 SER A 24 44.153 24.684 29.105 1.00 0.00 H new ATOM 0 HB3 SER A 24 45.623 23.760 29.338 1.00 0.00 H new ATOM 0 HG SER A 24 46.595 25.537 27.916 1.00 0.00 H new ATOM 231 N LEU A 25 42.853 24.417 26.209 1.00 0.00 N ATOM 232 CA LEU A 25 41.951 25.317 25.559 1.00 0.00 C ATOM 233 C LEU A 25 41.411 26.321 26.519 1.00 0.00 C ATOM 234 O LEU A 25 41.589 27.524 26.332 1.00 0.00 O ATOM 235 CB LEU A 25 40.796 24.582 24.858 1.00 0.00 C ATOM 236 CG LEU A 25 41.229 23.781 23.618 1.00 0.00 C ATOM 237 CD1 LEU A 25 40.092 22.862 23.143 1.00 0.00 C ATOM 238 CD2 LEU A 25 41.679 24.690 22.462 1.00 0.00 C ATOM 0 H LEU A 25 42.404 23.559 26.530 1.00 0.00 H new ATOM 0 HA LEU A 25 42.527 25.834 24.792 1.00 0.00 H new ATOM 0 HB2 LEU A 25 40.324 23.904 25.570 1.00 0.00 H new ATOM 0 HB3 LEU A 25 40.041 25.310 24.563 1.00 0.00 H new ATOM 0 HG LEU A 25 42.085 23.177 23.917 1.00 0.00 H new ATOM 0 HD11 LEU A 25 40.418 22.304 22.265 1.00 0.00 H new ATOM 0 HD12 LEU A 25 39.831 22.165 23.939 1.00 0.00 H new ATOM 0 HD13 LEU A 25 39.220 23.464 22.887 1.00 0.00 H new ATOM 0 HD21 LEU A 25 41.975 24.077 21.611 1.00 0.00 H new ATOM 0 HD22 LEU A 25 40.856 25.343 22.171 1.00 0.00 H new ATOM 0 HD23 LEU A 25 42.526 25.296 22.784 1.00 0.00 H new ATOM 250 N GLY A 26 40.740 25.915 27.611 1.00 0.00 N ATOM 251 CA GLY A 26 40.249 26.783 28.636 1.00 0.00 C ATOM 252 C GLY A 26 38.763 26.784 28.756 1.00 0.00 C ATOM 253 O GLY A 26 38.201 27.745 29.278 1.00 0.00 O ATOM 0 H GLY A 26 40.529 24.933 27.788 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.682 26.485 29.591 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.590 27.799 28.434 1.00 0.00 H new ATOM 257 N ILE A 27 38.074 25.721 28.303 1.00 0.00 N ATOM 258 CA ILE A 27 36.644 25.671 28.262 1.00 0.00 C ATOM 259 C ILE A 27 36.071 24.530 29.029 1.00 0.00 C ATOM 260 O ILE A 27 36.561 23.402 29.021 1.00 0.00 O ATOM 261 CB ILE A 27 36.142 25.613 26.850 1.00 0.00 C ATOM 262 CG1 ILE A 27 36.886 24.580 25.985 1.00 0.00 C ATOM 263 CG2 ILE A 27 36.227 27.027 26.253 1.00 0.00 C ATOM 264 CD1 ILE A 27 36.155 24.252 24.683 1.00 0.00 C ATOM 0 H ILE A 27 38.523 24.873 27.956 1.00 0.00 H new ATOM 0 HA ILE A 27 36.309 26.593 28.738 1.00 0.00 H new ATOM 0 HB ILE A 27 35.107 25.272 26.861 1.00 0.00 H new ATOM 0 HG12 ILE A 27 37.881 24.960 25.751 1.00 0.00 H new ATOM 0 HG13 ILE A 27 37.022 23.664 26.560 1.00 0.00 H new ATOM 0 HG21 ILE A 27 35.867 27.010 25.224 1.00 0.00 H new ATOM 0 HG22 ILE A 27 35.612 27.708 26.842 1.00 0.00 H new ATOM 0 HG23 ILE A 27 37.262 27.367 26.269 1.00 0.00 H new ATOM 0 HD11 ILE A 27 36.730 23.518 24.118 1.00 0.00 H new ATOM 0 HD12 ILE A 27 35.170 23.844 24.911 1.00 0.00 H new ATOM 0 HD13 ILE A 27 36.043 25.160 24.090 1.00 0.00 H new ATOM 276 N SER A 28 34.941 24.794 29.711 1.00 0.00 N ATOM 277 CA SER A 28 34.006 23.810 30.158 1.00 0.00 C ATOM 278 C SER A 28 32.750 24.037 29.389 1.00 0.00 C ATOM 279 O SER A 28 32.249 25.160 29.350 1.00 0.00 O ATOM 280 CB SER A 28 33.712 23.919 31.663 1.00 0.00 C ATOM 281 OG SER A 28 32.754 22.969 32.106 1.00 0.00 O ATOM 0 H SER A 28 34.667 25.744 29.963 1.00 0.00 H new ATOM 0 HA SER A 28 34.420 22.815 29.994 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.638 23.781 32.221 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.352 24.923 31.887 1.00 0.00 H new ATOM 0 HG SER A 28 32.721 22.970 33.085 1.00 0.00 H new ATOM 287 N VAL A 29 32.218 22.995 28.727 1.00 0.00 N ATOM 288 CA VAL A 29 31.050 23.055 27.905 1.00 0.00 C ATOM 289 C VAL A 29 29.956 22.221 28.480 1.00 0.00 C ATOM 290 O VAL A 29 30.185 21.330 29.296 1.00 0.00 O ATOM 291 CB VAL A 29 31.292 22.654 26.480 1.00 0.00 C ATOM 292 CG1 VAL A 29 32.197 23.701 25.811 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.907 21.248 26.374 1.00 0.00 C ATOM 0 H VAL A 29 32.625 22.061 28.768 1.00 0.00 H new ATOM 0 HA VAL A 29 30.755 24.104 27.892 1.00 0.00 H new ATOM 0 HB VAL A 29 30.333 22.614 25.963 1.00 0.00 H new ATOM 0 HG11 VAL A 29 32.378 23.417 24.774 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.709 24.675 25.840 1.00 0.00 H new ATOM 0 HG13 VAL A 29 33.147 23.755 26.343 1.00 0.00 H new ATOM 0 HG21 VAL A 29 32.065 20.998 25.325 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.862 21.228 26.900 1.00 0.00 H new ATOM 0 HG23 VAL A 29 31.230 20.520 26.822 1.00 0.00 H new ATOM 303 N THR A 30 28.701 22.496 28.081 1.00 0.00 N ATOM 304 CA THR A 30 27.533 21.804 28.525 1.00 0.00 C ATOM 305 C THR A 30 26.532 21.763 27.422 1.00 0.00 C ATOM 306 O THR A 30 26.637 22.504 26.445 1.00 0.00 O ATOM 307 CB THR A 30 26.936 22.440 29.744 1.00 0.00 C ATOM 308 OG1 THR A 30 25.864 21.706 30.319 1.00 0.00 O ATOM 309 CG2 THR A 30 26.434 23.875 29.508 1.00 0.00 C ATOM 0 H THR A 30 28.492 23.239 27.415 1.00 0.00 H new ATOM 0 HA THR A 30 27.823 20.790 28.799 1.00 0.00 H new ATOM 0 HB THR A 30 27.777 22.450 30.437 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.529 22.181 31.108 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.015 24.271 30.433 1.00 0.00 H new ATOM 0 HG22 THR A 30 27.265 24.503 29.188 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.665 23.869 28.735 1.00 0.00 H new ATOM 317 N GLY A 31 25.485 20.925 27.525 1.00 0.00 N ATOM 318 CA GLY A 31 24.292 21.079 26.754 1.00 0.00 C ATOM 319 C GLY A 31 24.085 20.033 25.712 1.00 0.00 C ATOM 320 O GLY A 31 24.350 18.851 25.923 1.00 0.00 O ATOM 0 H GLY A 31 25.467 20.124 28.157 1.00 0.00 H new ATOM 0 HA2 GLY A 31 23.436 21.075 27.429 1.00 0.00 H new ATOM 0 HA3 GLY A 31 24.312 22.056 26.270 1.00 0.00 H new ATOM 324 N GLY A 32 23.542 20.436 24.550 1.00 0.00 N ATOM 325 CA GLY A 32 23.194 19.563 23.471 1.00 0.00 C ATOM 326 C GLY A 32 21.723 19.330 23.409 1.00 0.00 C ATOM 327 O GLY A 32 20.989 19.539 24.374 1.00 0.00 O ATOM 0 H GLY A 32 23.336 21.415 24.353 1.00 0.00 H new ATOM 0 HA2 GLY A 32 23.535 19.993 22.529 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.710 18.610 23.592 1.00 0.00 H new ATOM 331 N VAL A 33 21.218 18.857 22.256 1.00 0.00 N ATOM 332 CA VAL A 33 19.817 18.753 21.989 1.00 0.00 C ATOM 333 C VAL A 33 19.130 17.679 22.759 1.00 0.00 C ATOM 334 O VAL A 33 17.939 17.749 23.057 1.00 0.00 O ATOM 335 CB VAL A 33 19.566 18.653 20.514 1.00 0.00 C ATOM 336 CG1 VAL A 33 19.924 17.270 19.946 1.00 0.00 C ATOM 337 CG2 VAL A 33 18.113 19.030 20.180 1.00 0.00 C ATOM 0 H VAL A 33 21.803 18.537 21.485 1.00 0.00 H new ATOM 0 HA VAL A 33 19.364 19.676 22.350 1.00 0.00 H new ATOM 0 HB VAL A 33 20.230 19.369 20.030 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.723 17.253 18.875 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.981 17.068 20.120 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.323 16.507 20.440 1.00 0.00 H new ATOM 0 HG21 VAL A 33 17.954 18.950 19.105 1.00 0.00 H new ATOM 0 HG22 VAL A 33 17.433 18.354 20.698 1.00 0.00 H new ATOM 0 HG23 VAL A 33 17.920 20.054 20.500 1.00 0.00 H new ATOM 450 N GLY A 41 21.195 23.496 22.117 1.00 0.00 N ATOM 451 CA GLY A 41 22.549 23.697 21.704 1.00 0.00 C ATOM 452 C GLY A 41 23.555 23.458 22.777 1.00 0.00 C ATOM 453 O GLY A 41 23.218 23.210 23.934 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.764 23.034 20.866 1.00 0.00 H new ATOM 0 HA3 GLY A 41 22.658 24.718 21.339 1.00 0.00 H new ATOM 457 N ILE A 42 24.841 23.489 22.384 1.00 0.00 N ATOM 458 CA ILE A 42 25.982 23.396 23.240 1.00 0.00 C ATOM 459 C ILE A 42 26.306 24.751 23.770 1.00 0.00 C ATOM 460 O ILE A 42 26.382 25.719 23.014 1.00 0.00 O ATOM 461 CB ILE A 42 27.148 22.806 22.504 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.812 21.425 21.916 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.405 22.713 23.385 1.00 0.00 C ATOM 464 CD1 ILE A 42 26.707 20.308 22.953 1.00 0.00 C ATOM 0 H ILE A 42 25.100 23.586 21.402 1.00 0.00 H new ATOM 0 HA ILE A 42 25.758 22.734 24.077 1.00 0.00 H new ATOM 0 HB ILE A 42 27.363 23.488 21.681 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.868 21.493 21.376 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.577 21.157 21.187 1.00 0.00 H new ATOM 0 HG21 ILE A 42 29.222 22.280 22.808 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.688 23.710 23.722 1.00 0.00 H new ATOM 0 HG23 ILE A 42 28.197 22.083 24.250 1.00 0.00 H new ATOM 0 HD11 ILE A 42 26.468 19.369 22.454 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.657 20.208 23.477 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.921 20.549 23.669 1.00 0.00 H new ATOM 476 N TYR A 43 26.482 24.888 25.095 1.00 0.00 N ATOM 477 CA TYR A 43 26.708 26.144 25.741 1.00 0.00 C ATOM 478 C TYR A 43 27.990 26.084 26.498 1.00 0.00 C ATOM 479 O TYR A 43 28.400 25.032 26.985 1.00 0.00 O ATOM 480 CB TYR A 43 25.568 26.487 26.714 1.00 0.00 C ATOM 481 CG TYR A 43 24.425 27.147 26.024 1.00 0.00 C ATOM 482 CD1 TYR A 43 24.441 28.514 25.871 1.00 0.00 C ATOM 483 CD2 TYR A 43 23.335 26.442 25.569 1.00 0.00 C ATOM 484 CE1 TYR A 43 23.384 29.175 25.292 1.00 0.00 C ATOM 485 CE2 TYR A 43 22.270 27.094 24.993 1.00 0.00 C ATOM 486 CZ TYR A 43 22.291 28.463 24.860 1.00 0.00 C ATOM 487 OH TYR A 43 21.195 29.143 24.286 1.00 0.00 O ATOM 0 H TYR A 43 26.467 24.098 25.740 1.00 0.00 H new ATOM 0 HA TYR A 43 26.751 26.917 24.974 1.00 0.00 H new ATOM 0 HB2 TYR A 43 25.220 25.576 27.201 1.00 0.00 H new ATOM 0 HB3 TYR A 43 25.946 27.143 27.498 1.00 0.00 H new ATOM 0 HD1 TYR A 43 25.298 29.077 26.211 1.00 0.00 H new ATOM 0 HD2 TYR A 43 23.315 25.366 25.665 1.00 0.00 H new ATOM 0 HE1 TYR A 43 23.412 30.249 25.177 1.00 0.00 H new ATOM 0 HE2 TYR A 43 21.417 26.531 24.645 1.00 0.00 H new ATOM 0 HH TYR A 43 20.505 28.495 24.032 1.00 0.00 H new ATOM 497 N VAL A 44 28.685 27.224 26.656 1.00 0.00 N ATOM 498 CA VAL A 44 29.814 27.352 27.524 1.00 0.00 C ATOM 499 C VAL A 44 29.409 27.480 28.952 1.00 0.00 C ATOM 500 O VAL A 44 28.586 28.316 29.321 1.00 0.00 O ATOM 501 CB VAL A 44 30.733 28.463 27.111 1.00 0.00 C ATOM 502 CG1 VAL A 44 31.940 28.612 28.051 1.00 0.00 C ATOM 503 CG2 VAL A 44 31.227 28.131 25.692 1.00 0.00 C ATOM 0 H VAL A 44 28.453 28.086 26.163 1.00 0.00 H new ATOM 0 HA VAL A 44 30.379 26.425 27.428 1.00 0.00 H new ATOM 0 HB VAL A 44 30.191 29.408 27.150 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.572 29.430 27.705 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.590 28.825 29.061 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.515 27.686 28.054 1.00 0.00 H new ATOM 0 HG21 VAL A 44 31.902 28.915 25.349 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.755 27.178 25.704 1.00 0.00 H new ATOM 0 HG23 VAL A 44 30.374 28.064 25.016 1.00 0.00 H new ATOM 513 N LYS A 45 29.977 26.639 29.835 1.00 0.00 N ATOM 514 CA LYS A 45 29.690 26.624 31.235 1.00 0.00 C ATOM 515 C LYS A 45 30.668 27.441 32.008 1.00 0.00 C ATOM 516 O LYS A 45 30.287 28.207 32.892 1.00 0.00 O ATOM 517 CB LYS A 45 29.651 25.176 31.752 1.00 0.00 C ATOM 518 CG LYS A 45 28.963 25.033 33.111 1.00 0.00 C ATOM 519 CD LYS A 45 28.569 23.590 33.434 1.00 0.00 C ATOM 520 CE LYS A 45 29.662 22.719 34.058 1.00 0.00 C ATOM 521 NZ LYS A 45 29.892 23.110 35.466 1.00 0.00 N ATOM 0 H LYS A 45 30.666 25.939 29.560 1.00 0.00 H new ATOM 0 HA LYS A 45 28.709 27.076 31.382 1.00 0.00 H new ATOM 0 HB2 LYS A 45 29.133 24.552 31.024 1.00 0.00 H new ATOM 0 HB3 LYS A 45 30.670 24.798 31.828 1.00 0.00 H new ATOM 0 HG2 LYS A 45 29.629 25.405 33.890 1.00 0.00 H new ATOM 0 HG3 LYS A 45 28.071 25.660 33.128 1.00 0.00 H new ATOM 0 HD2 LYS A 45 27.717 23.611 34.113 1.00 0.00 H new ATOM 0 HD3 LYS A 45 28.232 23.112 32.514 1.00 0.00 H new ATOM 0 HE2 LYS A 45 29.372 21.669 34.008 1.00 0.00 H new ATOM 0 HE3 LYS A 45 30.586 22.822 33.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 30.624 22.499 35.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 30.205 24.101 35.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 29.008 23.005 36.004 1.00 0.00 H new ATOM 535 N ALA A 46 31.975 27.325 31.711 1.00 0.00 N ATOM 536 CA ALA A 46 32.969 28.067 32.422 1.00 0.00 C ATOM 537 C ALA A 46 34.192 28.324 31.611 1.00 0.00 C ATOM 538 O ALA A 46 34.518 27.552 30.710 1.00 0.00 O ATOM 539 CB ALA A 46 33.383 27.338 33.712 1.00 0.00 C ATOM 0 H ALA A 46 32.343 26.718 30.979 1.00 0.00 H new ATOM 0 HA ALA A 46 32.508 29.026 32.659 1.00 0.00 H new ATOM 0 HB1 ALA A 46 34.140 27.923 34.234 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.512 27.215 34.356 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.791 26.359 33.462 1.00 0.00 H new ATOM 545 N ILE A 47 34.920 29.408 31.932 1.00 0.00 N ATOM 546 CA ILE A 47 36.228 29.684 31.424 1.00 0.00 C ATOM 547 C ILE A 47 37.254 29.368 32.457 1.00 0.00 C ATOM 548 O ILE A 47 37.253 29.885 33.573 1.00 0.00 O ATOM 549 CB ILE A 47 36.356 31.020 30.755 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.847 30.843 29.308 1.00 0.00 C ATOM 551 CG2 ILE A 47 37.265 32.042 31.460 1.00 0.00 C ATOM 552 CD1 ILE A 47 35.845 30.142 28.392 1.00 0.00 C ATOM 0 H ILE A 47 34.582 30.124 32.575 1.00 0.00 H new ATOM 0 HA ILE A 47 36.423 29.011 30.589 1.00 0.00 H new ATOM 0 HB ILE A 47 35.350 31.437 30.799 1.00 0.00 H new ATOM 0 HG12 ILE A 47 37.080 31.823 28.892 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.776 30.272 29.318 1.00 0.00 H new ATOM 0 HG21 ILE A 47 37.282 32.970 30.888 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.882 32.240 32.461 1.00 0.00 H new ATOM 0 HG23 ILE A 47 38.276 31.641 31.531 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.266 30.056 27.390 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.630 29.147 28.782 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.923 30.722 28.349 1.00 0.00 H new ATOM 564 N ILE A 48 38.134 28.406 32.127 1.00 0.00 N ATOM 565 CA ILE A 48 39.121 27.827 32.985 1.00 0.00 C ATOM 566 C ILE A 48 40.293 28.724 33.187 1.00 0.00 C ATOM 567 O ILE A 48 40.909 29.078 32.182 1.00 0.00 O ATOM 568 CB ILE A 48 39.630 26.511 32.476 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.472 25.606 32.022 1.00 0.00 C ATOM 570 CG2 ILE A 48 40.510 25.808 33.524 1.00 0.00 C ATOM 571 CD1 ILE A 48 37.528 25.127 33.124 1.00 0.00 C ATOM 0 H ILE A 48 38.156 28.004 31.190 1.00 0.00 H new ATOM 0 HA ILE A 48 38.606 27.674 33.934 1.00 0.00 H new ATOM 0 HB ILE A 48 40.254 26.713 31.605 1.00 0.00 H new ATOM 0 HG12 ILE A 48 37.886 26.145 31.277 1.00 0.00 H new ATOM 0 HG13 ILE A 48 38.893 24.732 31.525 1.00 0.00 H new ATOM 0 HG21 ILE A 48 40.863 24.857 33.124 1.00 0.00 H new ATOM 0 HG22 ILE A 48 41.365 26.440 33.764 1.00 0.00 H new ATOM 0 HG23 ILE A 48 39.927 25.628 34.427 1.00 0.00 H new ATOM 0 HD11 ILE A 48 36.751 24.497 32.690 1.00 0.00 H new ATOM 0 HD12 ILE A 48 38.090 24.553 33.861 1.00 0.00 H new ATOM 0 HD13 ILE A 48 37.068 25.988 33.609 1.00 0.00 H new ATOM 583 N PRO A 49 40.697 29.097 34.366 1.00 0.00 N ATOM 584 CA PRO A 49 41.819 29.968 34.564 1.00 0.00 C ATOM 585 C PRO A 49 43.099 29.501 33.958 1.00 0.00 C ATOM 586 O PRO A 49 43.477 28.344 34.126 1.00 0.00 O ATOM 587 CB PRO A 49 41.937 30.103 36.080 1.00 0.00 C ATOM 588 CG PRO A 49 40.471 30.024 36.536 1.00 0.00 C ATOM 589 CD PRO A 49 39.912 28.954 35.584 1.00 0.00 C ATOM 0 HA PRO A 49 41.645 30.915 34.053 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.540 29.305 36.513 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.402 31.046 36.369 1.00 0.00 H new ATOM 0 HG2 PRO A 49 40.382 29.730 37.582 1.00 0.00 H new ATOM 0 HG3 PRO A 49 39.956 30.979 36.428 1.00 0.00 H new ATOM 0 HD2 PRO A 49 40.015 27.955 36.007 1.00 0.00 H new ATOM 0 HD3 PRO A 49 38.851 29.110 35.392 1.00 0.00 H new ATOM 597 N LYS A 50 43.756 30.398 33.200 1.00 0.00 N ATOM 598 CA LYS A 50 44.992 30.182 32.514 1.00 0.00 C ATOM 599 C LYS A 50 44.884 29.358 31.278 1.00 0.00 C ATOM 600 O LYS A 50 45.877 28.803 30.810 1.00 0.00 O ATOM 601 CB LYS A 50 46.127 29.738 33.452 1.00 0.00 C ATOM 602 CG LYS A 50 46.373 30.712 34.606 1.00 0.00 C ATOM 603 CD LYS A 50 47.128 30.124 35.800 1.00 0.00 C ATOM 604 CE LYS A 50 46.344 29.027 36.524 1.00 0.00 C ATOM 605 NZ LYS A 50 46.936 28.700 37.841 1.00 0.00 N ATOM 0 H LYS A 50 43.396 31.342 33.057 1.00 0.00 H new ATOM 0 HA LYS A 50 45.276 31.167 32.144 1.00 0.00 H new ATOM 0 HB2 LYS A 50 45.889 28.755 33.859 1.00 0.00 H new ATOM 0 HB3 LYS A 50 47.045 29.630 32.875 1.00 0.00 H new ATOM 0 HG2 LYS A 50 46.933 31.567 34.227 1.00 0.00 H new ATOM 0 HG3 LYS A 50 45.411 31.090 34.954 1.00 0.00 H new ATOM 0 HD2 LYS A 50 48.079 29.716 35.456 1.00 0.00 H new ATOM 0 HD3 LYS A 50 47.360 30.922 36.505 1.00 0.00 H new ATOM 0 HE2 LYS A 50 45.312 29.349 36.660 1.00 0.00 H new ATOM 0 HE3 LYS A 50 46.319 28.130 35.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 46.375 27.953 38.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 47.913 28.368 37.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 46.937 29.549 38.442 1.00 0.00 H new ATOM 619 N GLY A 51 43.704 29.260 30.642 1.00 0.00 N ATOM 620 CA GLY A 51 43.584 28.668 29.346 1.00 0.00 C ATOM 621 C GLY A 51 43.865 29.580 28.202 1.00 0.00 C ATOM 622 O GLY A 51 43.943 30.798 28.346 1.00 0.00 O ATOM 0 H GLY A 51 42.823 29.595 31.031 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.265 27.819 29.288 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.573 28.275 29.236 1.00 0.00 H new ATOM 626 N ALA A 52 44.027 29.026 26.986 1.00 0.00 N ATOM 627 CA ALA A 52 44.009 29.733 25.743 1.00 0.00 C ATOM 628 C ALA A 52 42.841 30.635 25.531 1.00 0.00 C ATOM 629 O ALA A 52 42.951 31.855 25.419 1.00 0.00 O ATOM 630 CB ALA A 52 44.147 28.722 24.592 1.00 0.00 C ATOM 0 H ALA A 52 44.180 28.025 26.865 1.00 0.00 H new ATOM 0 HA ALA A 52 44.859 30.415 25.770 1.00 0.00 H new ATOM 0 HB1 ALA A 52 44.134 29.251 23.639 1.00 0.00 H new ATOM 0 HB2 ALA A 52 45.088 28.181 24.694 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.317 28.016 24.626 1.00 0.00 H new ATOM 636 N ALA A 53 41.637 30.036 25.478 1.00 0.00 N ATOM 637 CA ALA A 53 40.353 30.613 25.224 1.00 0.00 C ATOM 638 C ALA A 53 39.941 31.590 26.271 1.00 0.00 C ATOM 639 O ALA A 53 39.410 32.659 25.975 1.00 0.00 O ATOM 640 CB ALA A 53 39.285 29.508 25.159 1.00 0.00 C ATOM 0 H ALA A 53 41.559 29.031 25.632 1.00 0.00 H new ATOM 0 HA ALA A 53 40.436 31.141 24.274 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.310 29.955 24.965 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.530 28.811 24.357 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.257 28.973 26.108 1.00 0.00 H new ATOM 646 N GLU A 54 40.218 31.226 27.536 1.00 0.00 N ATOM 647 CA GLU A 54 40.145 32.079 28.681 1.00 0.00 C ATOM 648 C GLU A 54 40.685 33.455 28.501 1.00 0.00 C ATOM 649 O GLU A 54 40.016 34.464 28.713 1.00 0.00 O ATOM 650 CB GLU A 54 40.890 31.377 29.829 1.00 0.00 C ATOM 651 CG GLU A 54 40.863 32.118 31.168 1.00 0.00 C ATOM 652 CD GLU A 54 42.189 32.678 31.663 1.00 0.00 C ATOM 653 OE1 GLU A 54 43.128 32.934 30.863 1.00 0.00 O ATOM 654 OE2 GLU A 54 42.304 32.870 32.903 1.00 0.00 O ATOM 0 H GLU A 54 40.511 30.278 27.773 1.00 0.00 H new ATOM 0 HA GLU A 54 39.086 32.231 28.888 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.457 30.387 29.970 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.929 31.232 29.532 1.00 0.00 H new ATOM 0 HG2 GLU A 54 40.154 32.942 31.087 1.00 0.00 H new ATOM 0 HG3 GLU A 54 40.476 31.437 31.926 1.00 0.00 H new ATOM 661 N SER A 55 41.960 33.537 28.076 1.00 0.00 N ATOM 662 CA SER A 55 42.631 34.778 27.845 1.00 0.00 C ATOM 663 C SER A 55 42.123 35.563 26.686 1.00 0.00 C ATOM 664 O SER A 55 42.017 36.785 26.763 1.00 0.00 O ATOM 665 CB SER A 55 44.139 34.560 27.628 1.00 0.00 C ATOM 666 OG SER A 55 44.884 35.730 27.929 1.00 0.00 O ATOM 0 H SER A 55 42.539 32.718 27.888 1.00 0.00 H new ATOM 0 HA SER A 55 42.429 35.353 28.748 1.00 0.00 H new ATOM 0 HB2 SER A 55 44.482 33.738 28.256 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.320 34.269 26.593 1.00 0.00 H new ATOM 0 HG SER A 55 45.837 35.557 27.782 1.00 0.00 H new ATOM 672 N ASP A 56 41.754 34.885 25.583 1.00 0.00 N ATOM 673 CA ASP A 56 41.197 35.451 24.394 1.00 0.00 C ATOM 674 C ASP A 56 39.959 36.233 24.670 1.00 0.00 C ATOM 675 O ASP A 56 39.828 37.405 24.324 1.00 0.00 O ATOM 676 CB ASP A 56 40.964 34.313 23.387 1.00 0.00 C ATOM 677 CG ASP A 56 40.702 34.805 21.970 1.00 0.00 C ATOM 678 OD1 ASP A 56 39.652 35.459 21.731 1.00 0.00 O ATOM 679 OD2 ASP A 56 41.551 34.540 21.078 1.00 0.00 O ATOM 0 H ASP A 56 41.852 33.872 25.520 1.00 0.00 H new ATOM 0 HA ASP A 56 41.895 36.171 23.968 1.00 0.00 H new ATOM 0 HB2 ASP A 56 41.836 33.658 23.381 1.00 0.00 H new ATOM 0 HB3 ASP A 56 40.117 33.713 23.718 1.00 0.00 H new ATOM 684 N GLY A 57 38.997 35.617 25.381 1.00 0.00 N ATOM 685 CA GLY A 57 37.989 36.356 26.076 1.00 0.00 C ATOM 686 C GLY A 57 36.753 36.608 25.283 1.00 0.00 C ATOM 687 O GLY A 57 35.808 37.217 25.783 1.00 0.00 O ATOM 0 H GLY A 57 38.917 34.604 25.475 1.00 0.00 H new ATOM 0 HA2 GLY A 57 37.720 35.815 26.983 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.407 37.313 26.388 1.00 0.00 H new ATOM 691 N ARG A 58 36.712 36.106 24.036 1.00 0.00 N ATOM 692 CA ARG A 58 35.537 35.992 23.229 1.00 0.00 C ATOM 693 C ARG A 58 34.605 34.981 23.804 1.00 0.00 C ATOM 694 O ARG A 58 33.403 35.217 23.922 1.00 0.00 O ATOM 695 CB ARG A 58 35.916 35.569 21.801 1.00 0.00 C ATOM 696 CG ARG A 58 36.612 36.691 21.028 1.00 0.00 C ATOM 697 CD ARG A 58 37.210 36.233 19.697 1.00 0.00 C ATOM 698 NE ARG A 58 37.680 37.462 18.997 1.00 0.00 N ATOM 699 CZ ARG A 58 38.871 38.086 19.230 1.00 0.00 C ATOM 700 NH1 ARG A 58 39.823 37.603 20.081 1.00 0.00 N ATOM 701 NH2 ARG A 58 39.093 39.278 18.604 1.00 0.00 N ATOM 0 H ARG A 58 37.548 35.760 23.564 1.00 0.00 H new ATOM 0 HA ARG A 58 35.044 36.964 23.206 1.00 0.00 H new ATOM 0 HB2 ARG A 58 36.572 34.700 21.844 1.00 0.00 H new ATOM 0 HB3 ARG A 58 35.018 35.264 21.264 1.00 0.00 H new ATOM 0 HG2 ARG A 58 35.896 37.491 20.840 1.00 0.00 H new ATOM 0 HG3 ARG A 58 37.404 37.112 21.648 1.00 0.00 H new ATOM 0 HD2 ARG A 58 38.036 35.541 19.861 1.00 0.00 H new ATOM 0 HD3 ARG A 58 36.466 35.707 19.099 1.00 0.00 H new ATOM 0 HE ARG A 58 37.065 37.867 18.291 1.00 0.00 H new ATOM 0 HH11 ARG A 58 39.662 36.730 20.584 1.00 0.00 H new ATOM 0 HH12 ARG A 58 40.695 38.115 20.214 1.00 0.00 H new ATOM 0 HH21 ARG A 58 38.381 39.671 17.988 1.00 0.00 H new ATOM 0 HH22 ARG A 58 39.971 39.776 18.752 1.00 0.00 H new ATOM 715 N ILE A 59 35.164 33.833 24.224 1.00 0.00 N ATOM 716 CA ILE A 59 34.463 32.733 24.810 1.00 0.00 C ATOM 717 C ILE A 59 34.312 32.954 26.276 1.00 0.00 C ATOM 718 O ILE A 59 35.271 33.287 26.971 1.00 0.00 O ATOM 719 CB ILE A 59 35.163 31.441 24.508 1.00 0.00 C ATOM 720 CG1 ILE A 59 35.318 31.316 22.984 1.00 0.00 C ATOM 721 CG2 ILE A 59 34.351 30.268 25.084 1.00 0.00 C ATOM 722 CD1 ILE A 59 35.931 30.001 22.503 1.00 0.00 C ATOM 0 H ILE A 59 36.167 33.663 24.150 1.00 0.00 H new ATOM 0 HA ILE A 59 33.465 32.667 24.376 1.00 0.00 H new ATOM 0 HB ILE A 59 36.151 31.422 24.968 1.00 0.00 H new ATOM 0 HG12 ILE A 59 34.337 31.432 22.523 1.00 0.00 H new ATOM 0 HG13 ILE A 59 35.937 32.140 22.628 1.00 0.00 H new ATOM 0 HG21 ILE A 59 34.861 29.330 24.864 1.00 0.00 H new ATOM 0 HG22 ILE A 59 34.258 30.386 26.164 1.00 0.00 H new ATOM 0 HG23 ILE A 59 33.359 30.256 24.633 1.00 0.00 H new ATOM 0 HD11 ILE A 59 35.999 30.008 21.415 1.00 0.00 H new ATOM 0 HD12 ILE A 59 36.928 29.887 22.928 1.00 0.00 H new ATOM 0 HD13 ILE A 59 35.303 29.169 22.822 1.00 0.00 H new ATOM 734 N HIS A 60 33.080 32.812 26.798 1.00 0.00 N ATOM 735 CA HIS A 60 32.730 33.154 28.142 1.00 0.00 C ATOM 736 C HIS A 60 31.488 32.449 28.565 1.00 0.00 C ATOM 737 O HIS A 60 30.742 31.901 27.754 1.00 0.00 O ATOM 738 CB HIS A 60 32.533 34.673 28.283 1.00 0.00 C ATOM 739 CG HIS A 60 33.567 35.357 29.126 1.00 0.00 C ATOM 740 ND1 HIS A 60 34.910 35.043 29.098 1.00 0.00 N ATOM 741 CD2 HIS A 60 33.452 36.395 29.998 1.00 0.00 C ATOM 742 CE1 HIS A 60 35.535 35.887 29.963 1.00 0.00 C ATOM 743 NE2 HIS A 60 34.686 36.733 30.515 1.00 0.00 N ATOM 0 H HIS A 60 32.295 32.443 26.261 1.00 0.00 H new ATOM 0 HA HIS A 60 33.550 32.839 28.787 1.00 0.00 H new ATOM 0 HB2 HIS A 60 32.538 35.121 27.289 1.00 0.00 H new ATOM 0 HB3 HIS A 60 31.549 34.861 28.713 1.00 0.00 H new ATOM 0 HD1 HIS A 60 35.351 34.316 28.535 1.00 0.00 H new ATOM 0 HD2 HIS A 60 32.524 36.886 30.250 1.00 0.00 H new ATOM 0 HE1 HIS A 60 36.594 35.867 30.172 1.00 0.00 H new ATOM 751 N LYS A 61 31.170 32.457 29.872 1.00 0.00 N ATOM 752 CA LYS A 61 30.025 31.808 30.432 1.00 0.00 C ATOM 753 C LYS A 61 28.724 32.107 29.771 1.00 0.00 C ATOM 754 O LYS A 61 28.292 33.252 29.648 1.00 0.00 O ATOM 755 CB LYS A 61 29.925 32.135 31.931 1.00 0.00 C ATOM 756 CG LYS A 61 28.635 31.735 32.651 1.00 0.00 C ATOM 757 CD LYS A 61 28.741 31.944 34.163 1.00 0.00 C ATOM 758 CE LYS A 61 27.378 32.010 34.857 1.00 0.00 C ATOM 759 NZ LYS A 61 26.905 33.406 34.985 1.00 0.00 N ATOM 0 H LYS A 61 31.737 32.938 30.570 1.00 0.00 H new ATOM 0 HA LYS A 61 30.194 30.745 30.261 1.00 0.00 H new ATOM 0 HB2 LYS A 61 30.759 31.650 32.439 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.060 33.210 32.052 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.804 32.322 32.260 1.00 0.00 H new ATOM 0 HG3 LYS A 61 28.412 30.688 32.443 1.00 0.00 H new ATOM 0 HD2 LYS A 61 29.324 31.131 34.596 1.00 0.00 H new ATOM 0 HD3 LYS A 61 29.287 32.867 34.359 1.00 0.00 H new ATOM 0 HE2 LYS A 61 26.651 31.428 34.290 1.00 0.00 H new ATOM 0 HE3 LYS A 61 27.449 31.556 35.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 25.979 33.417 35.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 27.588 33.954 35.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 26.815 33.830 34.040 1.00 0.00 H new ATOM 773 N GLY A 62 28.046 31.055 29.276 1.00 0.00 N ATOM 774 CA GLY A 62 26.750 31.152 28.682 1.00 0.00 C ATOM 775 C GLY A 62 26.730 31.395 27.212 1.00 0.00 C ATOM 776 O GLY A 62 25.642 31.605 26.678 1.00 0.00 O ATOM 0 H GLY A 62 28.414 30.104 29.290 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.207 30.230 28.887 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.205 31.959 29.173 1.00 0.00 H new ATOM 780 N ASP A 63 27.866 31.360 26.493 1.00 0.00 N ATOM 781 CA ASP A 63 27.825 31.493 25.070 1.00 0.00 C ATOM 782 C ASP A 63 27.395 30.241 24.386 1.00 0.00 C ATOM 783 O ASP A 63 27.534 29.144 24.925 1.00 0.00 O ATOM 784 CB ASP A 63 29.056 32.158 24.430 1.00 0.00 C ATOM 785 CG ASP A 63 30.330 31.328 24.351 1.00 0.00 C ATOM 786 OD1 ASP A 63 30.356 30.312 23.606 1.00 0.00 O ATOM 787 OD2 ASP A 63 31.340 31.766 24.965 1.00 0.00 O ATOM 0 H ASP A 63 28.799 31.242 26.889 1.00 0.00 H new ATOM 0 HA ASP A 63 27.036 32.225 24.894 1.00 0.00 H new ATOM 0 HB2 ASP A 63 28.788 32.463 23.419 1.00 0.00 H new ATOM 0 HB3 ASP A 63 29.278 33.067 24.989 1.00 0.00 H new ATOM 792 N ARG A 64 26.788 30.361 23.191 1.00 0.00 N ATOM 793 CA ARG A 64 26.256 29.255 22.458 1.00 0.00 C ATOM 794 C ARG A 64 27.210 28.912 21.366 1.00 0.00 C ATOM 795 O ARG A 64 27.503 29.718 20.485 1.00 0.00 O ATOM 796 CB ARG A 64 24.865 29.575 21.885 1.00 0.00 C ATOM 797 CG ARG A 64 23.980 28.389 21.496 1.00 0.00 C ATOM 798 CD ARG A 64 24.444 27.544 20.307 1.00 0.00 C ATOM 799 NE ARG A 64 23.276 26.806 19.750 1.00 0.00 N ATOM 800 CZ ARG A 64 23.339 26.092 18.589 1.00 0.00 C ATOM 801 NH1 ARG A 64 24.526 25.652 18.074 1.00 0.00 N ATOM 802 NH2 ARG A 64 22.179 25.834 17.918 1.00 0.00 N ATOM 0 H ARG A 64 26.664 31.257 22.720 1.00 0.00 H new ATOM 0 HA ARG A 64 26.134 28.405 23.129 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.326 30.172 22.620 1.00 0.00 H new ATOM 0 HB3 ARG A 64 24.999 30.201 21.003 1.00 0.00 H new ATOM 0 HG2 ARG A 64 23.888 27.735 22.363 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.982 28.768 21.275 1.00 0.00 H new ATOM 0 HD2 ARG A 64 24.886 28.182 19.542 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.217 26.843 20.622 1.00 0.00 H new ATOM 0 HE ARG A 64 22.392 26.836 20.258 1.00 0.00 H new ATOM 0 HH11 ARG A 64 25.399 25.855 18.560 1.00 0.00 H new ATOM 0 HH12 ARG A 64 24.538 25.120 17.204 1.00 0.00 H new ATOM 0 HH21 ARG A 64 21.290 26.173 18.287 1.00 0.00 H new ATOM 0 HH22 ARG A 64 22.201 25.302 17.048 1.00 0.00 H new ATOM 816 N VAL A 65 27.722 27.667 21.367 1.00 0.00 N ATOM 817 CA VAL A 65 28.695 27.228 20.416 1.00 0.00 C ATOM 818 C VAL A 65 28.016 26.805 19.159 1.00 0.00 C ATOM 819 O VAL A 65 27.052 26.043 19.169 1.00 0.00 O ATOM 820 CB VAL A 65 29.580 26.133 20.934 1.00 0.00 C ATOM 821 CG1 VAL A 65 30.816 26.021 20.024 1.00 0.00 C ATOM 822 CG2 VAL A 65 30.017 26.459 22.372 1.00 0.00 C ATOM 0 H VAL A 65 27.454 26.951 22.043 1.00 0.00 H new ATOM 0 HA VAL A 65 29.350 28.076 20.216 1.00 0.00 H new ATOM 0 HB VAL A 65 29.039 25.187 20.936 1.00 0.00 H new ATOM 0 HG11 VAL A 65 31.467 25.228 20.391 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.499 25.789 19.007 1.00 0.00 H new ATOM 0 HG13 VAL A 65 31.358 26.967 20.029 1.00 0.00 H new ATOM 0 HG21 VAL A 65 30.660 25.662 22.746 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.565 27.401 22.381 1.00 0.00 H new ATOM 0 HG23 VAL A 65 29.137 26.545 23.009 1.00 0.00 H new ATOM 832 N LEU A 66 28.461 27.326 18.001 1.00 0.00 N ATOM 833 CA LEU A 66 27.845 27.074 16.736 1.00 0.00 C ATOM 834 C LEU A 66 28.573 26.019 15.976 1.00 0.00 C ATOM 835 O LEU A 66 27.963 25.101 15.429 1.00 0.00 O ATOM 836 CB LEU A 66 27.745 28.366 15.907 1.00 0.00 C ATOM 837 CG LEU A 66 26.836 29.447 16.515 1.00 0.00 C ATOM 838 CD1 LEU A 66 26.983 30.775 15.753 1.00 0.00 C ATOM 839 CD2 LEU A 66 25.357 29.027 16.519 1.00 0.00 C ATOM 0 H LEU A 66 29.273 27.940 17.944 1.00 0.00 H new ATOM 0 HA LEU A 66 26.836 26.710 16.930 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.746 28.780 15.781 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.376 28.116 14.912 1.00 0.00 H new ATOM 0 HG LEU A 66 27.156 29.578 17.549 1.00 0.00 H new ATOM 0 HD11 LEU A 66 26.331 31.525 16.200 1.00 0.00 H new ATOM 0 HD12 LEU A 66 28.018 31.114 15.809 1.00 0.00 H new ATOM 0 HD13 LEU A 66 26.705 30.628 14.709 1.00 0.00 H new ATOM 0 HD21 LEU A 66 24.754 29.822 16.958 1.00 0.00 H new ATOM 0 HD22 LEU A 66 25.028 28.844 15.496 1.00 0.00 H new ATOM 0 HD23 LEU A 66 25.239 28.116 17.106 1.00 0.00 H new ATOM 851 N ALA A 67 29.915 26.080 15.920 1.00 0.00 N ATOM 852 CA ALA A 67 30.660 25.112 15.177 1.00 0.00 C ATOM 853 C ALA A 67 32.016 24.897 15.758 1.00 0.00 C ATOM 854 O ALA A 67 32.645 25.816 16.281 1.00 0.00 O ATOM 855 CB ALA A 67 30.798 25.527 13.703 1.00 0.00 C ATOM 0 H ALA A 67 30.480 26.792 16.384 1.00 0.00 H new ATOM 0 HA ALA A 67 30.103 24.177 15.234 1.00 0.00 H new ATOM 0 HB1 ALA A 67 31.369 24.771 13.164 1.00 0.00 H new ATOM 0 HB2 ALA A 67 29.808 25.620 13.257 1.00 0.00 H new ATOM 0 HB3 ALA A 67 31.315 26.485 13.641 1.00 0.00 H new ATOM 861 N VAL A 68 32.500 23.645 15.682 1.00 0.00 N ATOM 862 CA VAL A 68 33.827 23.275 16.065 1.00 0.00 C ATOM 863 C VAL A 68 34.599 22.874 14.855 1.00 0.00 C ATOM 864 O VAL A 68 34.378 21.812 14.275 1.00 0.00 O ATOM 865 CB VAL A 68 33.890 22.146 17.051 1.00 0.00 C ATOM 866 CG1 VAL A 68 35.345 21.878 17.468 1.00 0.00 C ATOM 867 CG2 VAL A 68 33.043 22.464 18.294 1.00 0.00 C ATOM 0 H VAL A 68 31.946 22.860 15.341 1.00 0.00 H new ATOM 0 HA VAL A 68 34.251 24.153 16.552 1.00 0.00 H new ATOM 0 HB VAL A 68 33.488 21.254 16.571 1.00 0.00 H new ATOM 0 HG11 VAL A 68 35.373 21.056 18.183 1.00 0.00 H new ATOM 0 HG12 VAL A 68 35.933 21.614 16.589 1.00 0.00 H new ATOM 0 HG13 VAL A 68 35.763 22.774 17.928 1.00 0.00 H new ATOM 0 HG21 VAL A 68 33.102 21.633 18.997 1.00 0.00 H new ATOM 0 HG22 VAL A 68 33.421 23.369 18.770 1.00 0.00 H new ATOM 0 HG23 VAL A 68 32.005 22.616 17.998 1.00 0.00 H new ATOM 877 N ASN A 69 35.564 23.708 14.426 1.00 0.00 N ATOM 878 CA ASN A 69 36.584 23.391 13.475 1.00 0.00 C ATOM 879 C ASN A 69 36.076 22.990 12.133 1.00 0.00 C ATOM 880 O ASN A 69 36.601 22.092 11.476 1.00 0.00 O ATOM 881 CB ASN A 69 37.578 22.401 14.105 1.00 0.00 C ATOM 882 CG ASN A 69 38.992 22.574 13.569 1.00 0.00 C ATOM 883 OD1 ASN A 69 39.451 23.694 13.348 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.741 21.448 13.421 1.00 0.00 N ATOM 0 H ASN A 69 35.635 24.667 14.767 1.00 0.00 H new ATOM 0 HA ASN A 69 37.125 24.308 13.244 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.584 22.536 15.187 1.00 0.00 H new ATOM 0 HB3 ASN A 69 37.242 21.382 13.913 1.00 0.00 H new ATOM 0 HD21 ASN A 69 40.713 21.518 13.119 1.00 0.00 H new ATOM 0 HD22 ASN A 69 39.331 20.534 13.612 1.00 0.00 H new ATOM 891 N GLY A 70 35.008 23.661 11.669 1.00 0.00 N ATOM 892 CA GLY A 70 34.340 23.398 10.432 1.00 0.00 C ATOM 893 C GLY A 70 33.111 22.568 10.566 1.00 0.00 C ATOM 894 O GLY A 70 32.298 22.506 9.645 1.00 0.00 O ATOM 0 H GLY A 70 34.586 24.432 12.187 1.00 0.00 H new ATOM 0 HA2 GLY A 70 34.075 24.347 9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.033 22.895 9.758 1.00 0.00 H new ATOM 898 N VAL A 71 32.920 21.880 11.707 1.00 0.00 N ATOM 899 CA VAL A 71 31.822 20.992 11.935 1.00 0.00 C ATOM 900 C VAL A 71 30.737 21.683 12.686 1.00 0.00 C ATOM 901 O VAL A 71 30.925 22.172 13.799 1.00 0.00 O ATOM 902 CB VAL A 71 32.231 19.738 12.651 1.00 0.00 C ATOM 903 CG1 VAL A 71 31.061 18.747 12.762 1.00 0.00 C ATOM 904 CG2 VAL A 71 33.407 19.080 11.910 1.00 0.00 C ATOM 0 H VAL A 71 33.556 21.945 12.502 1.00 0.00 H new ATOM 0 HA VAL A 71 31.450 20.695 10.954 1.00 0.00 H new ATOM 0 HB VAL A 71 32.537 20.008 13.662 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.392 17.850 13.286 1.00 0.00 H new ATOM 0 HG12 VAL A 71 30.244 19.209 13.315 1.00 0.00 H new ATOM 0 HG13 VAL A 71 30.716 18.478 11.764 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.702 18.170 12.432 1.00 0.00 H new ATOM 0 HG22 VAL A 71 33.104 18.833 10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 71 34.250 19.770 11.880 1.00 0.00 H new ATOM 914 N SER A 72 29.528 21.759 12.103 1.00 0.00 N ATOM 915 CA SER A 72 28.405 22.425 12.687 1.00 0.00 C ATOM 916 C SER A 72 27.801 21.632 13.794 1.00 0.00 C ATOM 917 O SER A 72 27.568 20.431 13.669 1.00 0.00 O ATOM 918 CB SER A 72 27.315 22.708 11.638 1.00 0.00 C ATOM 919 OG SER A 72 26.239 23.487 12.139 1.00 0.00 O ATOM 0 H SER A 72 29.325 21.343 11.194 1.00 0.00 H new ATOM 0 HA SER A 72 28.784 23.365 13.087 1.00 0.00 H new ATOM 0 HB2 SER A 72 27.763 23.224 10.789 1.00 0.00 H new ATOM 0 HB3 SER A 72 26.925 21.761 11.265 1.00 0.00 H new ATOM 0 HG SER A 72 25.582 23.634 11.427 1.00 0.00 H new ATOM 925 N LEU A 73 27.505 22.278 14.936 1.00 0.00 N ATOM 926 CA LEU A 73 26.990 21.612 16.093 1.00 0.00 C ATOM 927 C LEU A 73 25.503 21.504 16.108 1.00 0.00 C ATOM 928 O LEU A 73 24.909 21.140 17.122 1.00 0.00 O ATOM 929 CB LEU A 73 27.454 22.295 17.390 1.00 0.00 C ATOM 930 CG LEU A 73 28.957 22.167 17.690 1.00 0.00 C ATOM 931 CD1 LEU A 73 29.259 22.977 18.962 1.00 0.00 C ATOM 932 CD2 LEU A 73 29.407 20.708 17.878 1.00 0.00 C ATOM 0 H LEU A 73 27.626 23.283 15.059 1.00 0.00 H new ATOM 0 HA LEU A 73 27.395 20.602 16.039 1.00 0.00 H new ATOM 0 HB2 LEU A 73 27.198 23.353 17.337 1.00 0.00 H new ATOM 0 HB3 LEU A 73 26.895 21.873 18.225 1.00 0.00 H new ATOM 0 HG LEU A 73 29.511 22.551 16.834 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.321 22.903 19.197 1.00 0.00 H new ATOM 0 HD12 LEU A 73 28.996 24.022 18.799 1.00 0.00 H new ATOM 0 HD13 LEU A 73 28.675 22.581 19.793 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.476 20.681 18.087 1.00 0.00 H new ATOM 0 HD22 LEU A 73 28.863 20.264 18.712 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.201 20.144 16.969 1.00 0.00 H new ATOM 944 N GLU A 74 24.812 21.777 14.987 1.00 0.00 N ATOM 945 CA GLU A 74 23.401 21.581 14.855 1.00 0.00 C ATOM 946 C GLU A 74 23.016 20.144 14.945 1.00 0.00 C ATOM 947 O GLU A 74 23.572 19.276 14.274 1.00 0.00 O ATOM 948 CB GLU A 74 22.868 22.154 13.532 1.00 0.00 C ATOM 949 CG GLU A 74 22.809 23.683 13.492 1.00 0.00 C ATOM 950 CD GLU A 74 21.691 24.241 14.362 1.00 0.00 C ATOM 951 OE1 GLU A 74 20.501 24.042 14.000 1.00 0.00 O ATOM 952 OE2 GLU A 74 21.985 24.896 15.398 1.00 0.00 O ATOM 0 H GLU A 74 25.250 22.147 14.143 1.00 0.00 H new ATOM 0 HA GLU A 74 22.951 22.117 15.691 1.00 0.00 H new ATOM 0 HB2 GLU A 74 23.500 21.804 12.716 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.868 21.758 13.353 1.00 0.00 H new ATOM 0 HG2 GLU A 74 23.764 24.090 13.826 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.664 24.012 12.463 1.00 0.00 H new ATOM 959 N GLY A 75 22.044 19.837 15.821 1.00 0.00 N ATOM 960 CA GLY A 75 21.584 18.515 16.116 1.00 0.00 C ATOM 961 C GLY A 75 22.394 17.743 17.100 1.00 0.00 C ATOM 962 O GLY A 75 22.024 16.630 17.469 1.00 0.00 O ATOM 0 H GLY A 75 21.550 20.553 16.354 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.563 18.583 16.491 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.545 17.950 15.185 1.00 0.00 H new ATOM 966 N ALA A 76 23.554 18.263 17.540 1.00 0.00 N ATOM 967 CA ALA A 76 24.461 17.560 18.394 1.00 0.00 C ATOM 968 C ALA A 76 24.040 17.362 19.809 1.00 0.00 C ATOM 969 O ALA A 76 23.323 18.158 20.414 1.00 0.00 O ATOM 970 CB ALA A 76 25.856 18.205 18.345 1.00 0.00 C ATOM 0 H ALA A 76 23.871 19.201 17.294 1.00 0.00 H new ATOM 0 HA ALA A 76 24.473 16.553 17.978 1.00 0.00 H new ATOM 0 HB1 ALA A 76 26.533 17.658 19.001 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.236 18.174 17.324 1.00 0.00 H new ATOM 0 HB3 ALA A 76 25.789 19.241 18.676 1.00 0.00 H new ATOM 976 N THR A 77 24.500 16.251 20.414 1.00 0.00 N ATOM 977 CA THR A 77 24.366 15.941 21.804 1.00 0.00 C ATOM 978 C THR A 77 25.559 16.399 22.569 1.00 0.00 C ATOM 979 O THR A 77 26.494 16.963 22.004 1.00 0.00 O ATOM 980 CB THR A 77 24.079 14.490 22.056 1.00 0.00 C ATOM 981 OG1 THR A 77 25.184 13.643 21.776 1.00 0.00 O ATOM 982 CG2 THR A 77 22.930 14.019 21.149 1.00 0.00 C ATOM 0 H THR A 77 24.997 15.524 19.899 1.00 0.00 H new ATOM 0 HA THR A 77 23.495 16.489 22.163 1.00 0.00 H new ATOM 0 HB THR A 77 23.833 14.419 23.115 1.00 0.00 H new ATOM 0 HG1 THR A 77 24.938 12.712 21.960 1.00 0.00 H new ATOM 0 HG21 THR A 77 22.727 12.965 21.337 1.00 0.00 H new ATOM 0 HG22 THR A 77 22.035 14.604 21.361 1.00 0.00 H new ATOM 0 HG23 THR A 77 23.212 14.153 20.105 1.00 0.00 H new ATOM 990 N HIS A 78 25.596 16.176 23.895 1.00 0.00 N ATOM 991 CA HIS A 78 26.681 16.541 24.752 1.00 0.00 C ATOM 992 C HIS A 78 27.931 15.806 24.405 1.00 0.00 C ATOM 993 O HIS A 78 28.988 16.399 24.197 1.00 0.00 O ATOM 994 CB HIS A 78 26.351 16.252 26.226 1.00 0.00 C ATOM 995 CG HIS A 78 27.384 16.678 27.227 1.00 0.00 C ATOM 996 ND1 HIS A 78 27.538 16.068 28.455 1.00 0.00 N ATOM 997 CD2 HIS A 78 28.270 17.710 27.218 1.00 0.00 C ATOM 998 CE1 HIS A 78 28.513 16.743 29.121 1.00 0.00 C ATOM 999 NE2 HIS A 78 28.971 17.754 28.406 1.00 0.00 N ATOM 0 H HIS A 78 24.832 15.719 24.393 1.00 0.00 H new ATOM 0 HA HIS A 78 26.835 17.610 24.608 1.00 0.00 H new ATOM 0 HB2 HIS A 78 25.411 16.746 26.471 1.00 0.00 H new ATOM 0 HB3 HIS A 78 26.186 15.180 26.337 1.00 0.00 H new ATOM 0 HD2 HIS A 78 28.406 18.398 26.397 1.00 0.00 H new ATOM 0 HE1 HIS A 78 28.867 16.485 30.108 1.00 0.00 H new ATOM 0 HE2 HIS A 78 29.690 18.425 28.675 1.00 0.00 H new ATOM 1007 N LYS A 79 27.833 14.470 24.284 1.00 0.00 N ATOM 1008 CA LYS A 79 28.896 13.604 23.877 1.00 0.00 C ATOM 1009 C LYS A 79 29.503 13.933 22.557 1.00 0.00 C ATOM 1010 O LYS A 79 30.724 13.877 22.420 1.00 0.00 O ATOM 1011 CB LYS A 79 28.461 12.129 23.928 1.00 0.00 C ATOM 1012 CG LYS A 79 28.394 11.567 25.349 1.00 0.00 C ATOM 1013 CD LYS A 79 28.471 10.040 25.301 1.00 0.00 C ATOM 1014 CE LYS A 79 28.898 9.318 26.581 1.00 0.00 C ATOM 1015 NZ LYS A 79 27.802 9.232 27.573 1.00 0.00 N ATOM 0 H LYS A 79 26.967 13.968 24.480 1.00 0.00 H new ATOM 0 HA LYS A 79 29.689 13.774 24.606 1.00 0.00 H new ATOM 0 HB2 LYS A 79 27.482 12.030 23.459 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.158 11.531 23.341 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.214 11.964 25.947 1.00 0.00 H new ATOM 0 HG3 LYS A 79 27.468 11.880 25.831 1.00 0.00 H new ATOM 0 HD2 LYS A 79 27.491 9.662 25.012 1.00 0.00 H new ATOM 0 HD3 LYS A 79 29.166 9.762 24.509 1.00 0.00 H new ATOM 0 HE2 LYS A 79 29.238 8.313 26.332 1.00 0.00 H new ATOM 0 HE3 LYS A 79 29.745 9.841 27.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 28.140 8.735 28.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 27.493 10.190 27.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 27.002 8.710 27.162 1.00 0.00 H new ATOM 1029 N GLN A 80 28.716 14.333 21.542 1.00 0.00 N ATOM 1030 CA GLN A 80 29.214 14.711 20.255 1.00 0.00 C ATOM 1031 C GLN A 80 30.205 15.823 20.278 1.00 0.00 C ATOM 1032 O GLN A 80 31.317 15.702 19.767 1.00 0.00 O ATOM 1033 CB GLN A 80 28.088 15.127 19.294 1.00 0.00 C ATOM 1034 CG GLN A 80 27.111 14.014 18.910 1.00 0.00 C ATOM 1035 CD GLN A 80 27.729 12.921 18.048 1.00 0.00 C ATOM 1036 OE1 GLN A 80 27.773 13.009 16.822 1.00 0.00 O ATOM 1037 NE2 GLN A 80 28.228 11.835 18.697 1.00 0.00 N ATOM 0 H GLN A 80 27.701 14.395 21.619 1.00 0.00 H new ATOM 0 HA GLN A 80 29.713 13.807 19.907 1.00 0.00 H new ATOM 0 HB2 GLN A 80 27.525 15.940 19.751 1.00 0.00 H new ATOM 0 HB3 GLN A 80 28.538 15.523 18.384 1.00 0.00 H new ATOM 0 HG2 GLN A 80 26.712 13.564 19.819 1.00 0.00 H new ATOM 0 HG3 GLN A 80 26.268 14.452 18.375 1.00 0.00 H new ATOM 0 HE21 GLN A 80 28.181 11.783 19.715 1.00 0.00 H new ATOM 0 HE22 GLN A 80 28.649 11.073 18.166 1.00 0.00 H new ATOM 1046 N ALA A 81 29.846 16.966 20.891 1.00 0.00 N ATOM 1047 CA ALA A 81 30.677 18.123 21.003 1.00 0.00 C ATOM 1048 C ALA A 81 31.875 17.902 21.860 1.00 0.00 C ATOM 1049 O ALA A 81 32.964 18.377 21.540 1.00 0.00 O ATOM 1050 CB ALA A 81 29.853 19.289 21.574 1.00 0.00 C ATOM 0 H ALA A 81 28.933 17.088 21.329 1.00 0.00 H new ATOM 0 HA ALA A 81 31.038 18.354 20.001 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.485 20.173 21.660 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.017 19.504 20.908 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.472 19.018 22.559 1.00 0.00 H new ATOM 1056 N VAL A 82 31.756 17.112 22.942 1.00 0.00 N ATOM 1057 CA VAL A 82 32.857 16.732 23.773 1.00 0.00 C ATOM 1058 C VAL A 82 33.831 15.902 23.010 1.00 0.00 C ATOM 1059 O VAL A 82 35.012 16.243 22.964 1.00 0.00 O ATOM 1060 CB VAL A 82 32.434 16.053 25.043 1.00 0.00 C ATOM 1061 CG1 VAL A 82 33.640 15.487 25.811 1.00 0.00 C ATOM 1062 CG2 VAL A 82 31.721 17.092 25.923 1.00 0.00 C ATOM 0 H VAL A 82 30.864 16.725 23.249 1.00 0.00 H new ATOM 0 HA VAL A 82 33.350 17.655 24.079 1.00 0.00 H new ATOM 0 HB VAL A 82 31.775 15.221 24.796 1.00 0.00 H new ATOM 0 HG11 VAL A 82 33.295 15.003 26.725 1.00 0.00 H new ATOM 0 HG12 VAL A 82 34.159 14.758 25.188 1.00 0.00 H new ATOM 0 HG13 VAL A 82 34.322 16.298 26.066 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.403 16.623 26.854 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.405 17.912 26.145 1.00 0.00 H new ATOM 0 HG23 VAL A 82 30.849 17.479 25.395 1.00 0.00 H new ATOM 1072 N GLU A 83 33.401 14.830 22.321 1.00 0.00 N ATOM 1073 CA GLU A 83 34.281 14.018 21.538 1.00 0.00 C ATOM 1074 C GLU A 83 34.971 14.765 20.448 1.00 0.00 C ATOM 1075 O GLU A 83 36.146 14.533 20.167 1.00 0.00 O ATOM 1076 CB GLU A 83 33.578 12.800 20.916 1.00 0.00 C ATOM 1077 CG GLU A 83 33.207 11.714 21.929 1.00 0.00 C ATOM 1078 CD GLU A 83 32.556 10.489 21.303 1.00 0.00 C ATOM 1079 OE1 GLU A 83 31.538 10.599 20.569 1.00 0.00 O ATOM 1080 OE2 GLU A 83 33.045 9.358 21.565 1.00 0.00 O ATOM 0 H GLU A 83 32.429 14.522 22.307 1.00 0.00 H new ATOM 0 HA GLU A 83 35.026 13.680 22.258 1.00 0.00 H new ATOM 0 HB2 GLU A 83 32.673 13.135 20.409 1.00 0.00 H new ATOM 0 HB3 GLU A 83 34.228 12.367 20.155 1.00 0.00 H new ATOM 0 HG2 GLU A 83 34.106 11.404 22.462 1.00 0.00 H new ATOM 0 HG3 GLU A 83 32.528 12.137 22.669 1.00 0.00 H new ATOM 1087 N THR A 84 34.267 15.735 19.838 1.00 0.00 N ATOM 1088 CA THR A 84 34.755 16.662 18.865 1.00 0.00 C ATOM 1089 C THR A 84 35.821 17.556 19.400 1.00 0.00 C ATOM 1090 O THR A 84 36.903 17.652 18.825 1.00 0.00 O ATOM 1091 CB THR A 84 33.640 17.476 18.277 1.00 0.00 C ATOM 1092 OG1 THR A 84 32.663 16.638 17.677 1.00 0.00 O ATOM 1093 CG2 THR A 84 34.114 18.415 17.156 1.00 0.00 C ATOM 0 H THR A 84 33.278 15.881 20.043 1.00 0.00 H new ATOM 0 HA THR A 84 35.205 16.060 18.076 1.00 0.00 H new ATOM 0 HB THR A 84 33.240 18.050 19.113 1.00 0.00 H new ATOM 0 HG1 THR A 84 31.957 16.440 18.328 1.00 0.00 H new ATOM 0 HG21 THR A 84 33.264 18.978 16.769 1.00 0.00 H new ATOM 0 HG22 THR A 84 34.858 19.107 17.551 1.00 0.00 H new ATOM 0 HG23 THR A 84 34.556 17.827 16.352 1.00 0.00 H new ATOM 1101 N LEU A 85 35.609 18.224 20.547 1.00 0.00 N ATOM 1102 CA LEU A 85 36.579 19.054 21.191 1.00 0.00 C ATOM 1103 C LEU A 85 37.775 18.335 21.714 1.00 0.00 C ATOM 1104 O LEU A 85 38.889 18.857 21.734 1.00 0.00 O ATOM 1105 CB LEU A 85 35.952 19.809 22.375 1.00 0.00 C ATOM 1106 CG LEU A 85 34.970 20.919 21.963 1.00 0.00 C ATOM 1107 CD1 LEU A 85 34.175 21.370 23.200 1.00 0.00 C ATOM 1108 CD2 LEU A 85 35.687 22.113 21.312 1.00 0.00 C ATOM 0 H LEU A 85 34.722 18.184 21.048 1.00 0.00 H new ATOM 0 HA LEU A 85 36.913 19.727 20.402 1.00 0.00 H new ATOM 0 HB2 LEU A 85 35.430 19.095 23.012 1.00 0.00 H new ATOM 0 HB3 LEU A 85 36.749 20.248 22.975 1.00 0.00 H new ATOM 0 HG LEU A 85 34.290 20.516 21.213 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.476 22.157 22.916 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.622 20.523 23.606 1.00 0.00 H new ATOM 0 HD13 LEU A 85 34.862 21.750 23.956 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.954 22.872 21.038 1.00 0.00 H new ATOM 0 HD22 LEU A 85 36.402 22.537 22.017 1.00 0.00 H new ATOM 0 HD23 LEU A 85 36.214 21.778 20.419 1.00 0.00 H new ATOM 1120 N ARG A 86 37.604 17.073 22.150 1.00 0.00 N ATOM 1121 CA ARG A 86 38.662 16.197 22.548 1.00 0.00 C ATOM 1122 C ARG A 86 39.511 15.798 21.390 1.00 0.00 C ATOM 1123 O ARG A 86 40.714 15.584 21.524 1.00 0.00 O ATOM 1124 CB ARG A 86 38.073 14.982 23.282 1.00 0.00 C ATOM 1125 CG ARG A 86 37.387 15.331 24.605 1.00 0.00 C ATOM 1126 CD ARG A 86 38.309 15.484 25.816 1.00 0.00 C ATOM 1127 NE ARG A 86 38.457 14.140 26.443 1.00 0.00 N ATOM 1128 CZ ARG A 86 39.629 13.578 26.860 1.00 0.00 C ATOM 1129 NH1 ARG A 86 40.853 14.064 26.501 1.00 0.00 N ATOM 1130 NH2 ARG A 86 39.579 12.474 27.661 1.00 0.00 N ATOM 0 H ARG A 86 36.682 16.643 22.228 1.00 0.00 H new ATOM 0 HA ARG A 86 39.321 16.728 23.236 1.00 0.00 H new ATOM 0 HB2 ARG A 86 37.353 14.489 22.629 1.00 0.00 H new ATOM 0 HB3 ARG A 86 38.871 14.265 23.475 1.00 0.00 H new ATOM 0 HG2 ARG A 86 36.837 16.262 24.472 1.00 0.00 H new ATOM 0 HG3 ARG A 86 36.653 14.556 24.827 1.00 0.00 H new ATOM 0 HD2 ARG A 86 39.280 15.873 25.511 1.00 0.00 H new ATOM 0 HD3 ARG A 86 37.890 16.195 26.528 1.00 0.00 H new ATOM 0 HE ARG A 86 37.607 13.591 26.572 1.00 0.00 H new ATOM 0 HH11 ARG A 86 40.919 14.882 25.895 1.00 0.00 H new ATOM 0 HH12 ARG A 86 41.701 13.609 26.838 1.00 0.00 H new ATOM 0 HH21 ARG A 86 38.678 12.084 27.937 1.00 0.00 H new ATOM 0 HH22 ARG A 86 40.443 12.039 27.984 1.00 0.00 H new ATOM 1144 N ASN A 87 38.948 15.757 20.169 1.00 0.00 N ATOM 1145 CA ASN A 87 39.646 15.475 18.953 1.00 0.00 C ATOM 1146 C ASN A 87 40.115 16.710 18.264 1.00 0.00 C ATOM 1147 O ASN A 87 40.065 16.835 17.042 1.00 0.00 O ATOM 1148 CB ASN A 87 38.715 14.648 18.051 1.00 0.00 C ATOM 1149 CG ASN A 87 39.476 13.823 17.024 1.00 0.00 C ATOM 1150 OD1 ASN A 87 40.597 13.369 17.248 1.00 0.00 O ATOM 1151 ND2 ASN A 87 38.824 13.577 15.857 1.00 0.00 N ATOM 0 H ASN A 87 37.953 15.930 20.023 1.00 0.00 H new ATOM 0 HA ASN A 87 40.549 14.909 19.183 1.00 0.00 H new ATOM 0 HB2 ASN A 87 38.111 13.984 18.670 1.00 0.00 H new ATOM 0 HB3 ASN A 87 38.026 15.317 17.536 1.00 0.00 H new ATOM 0 HD21 ASN A 87 39.264 13.002 15.138 1.00 0.00 H new ATOM 0 HD22 ASN A 87 37.895 13.967 15.700 1.00 0.00 H new ATOM 1158 N THR A 88 40.645 17.687 19.022 1.00 0.00 N ATOM 1159 CA THR A 88 41.271 18.867 18.509 1.00 0.00 C ATOM 1160 C THR A 88 42.755 18.724 18.507 1.00 0.00 C ATOM 1161 O THR A 88 43.334 17.983 19.299 1.00 0.00 O ATOM 1162 CB THR A 88 40.942 20.135 19.240 1.00 0.00 C ATOM 1163 OG1 THR A 88 41.120 20.020 20.644 1.00 0.00 O ATOM 1164 CG2 THR A 88 39.476 20.514 18.972 1.00 0.00 C ATOM 0 H THR A 88 40.637 17.652 20.041 1.00 0.00 H new ATOM 0 HA THR A 88 40.867 18.957 17.501 1.00 0.00 H new ATOM 0 HB THR A 88 41.626 20.899 18.872 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.277 19.742 21.059 1.00 0.00 H new ATOM 0 HG21 THR A 88 39.236 21.435 19.503 1.00 0.00 H new ATOM 0 HG22 THR A 88 39.328 20.662 17.902 1.00 0.00 H new ATOM 0 HG23 THR A 88 38.824 19.714 19.321 1.00 0.00 H new ATOM 1172 N GLY A 89 43.428 19.459 17.604 1.00 0.00 N ATOM 1173 CA GLY A 89 44.852 19.552 17.527 1.00 0.00 C ATOM 1174 C GLY A 89 45.323 20.878 18.016 1.00 0.00 C ATOM 1175 O GLY A 89 44.845 21.397 19.023 1.00 0.00 O ATOM 0 H GLY A 89 42.955 20.016 16.892 1.00 0.00 H new ATOM 0 HA2 GLY A 89 45.305 18.758 18.121 1.00 0.00 H new ATOM 0 HA3 GLY A 89 45.175 19.403 16.497 1.00 0.00 H new ATOM 1179 N GLN A 90 46.304 21.469 17.310 1.00 0.00 N ATOM 1180 CA GLN A 90 46.927 22.711 17.648 1.00 0.00 C ATOM 1181 C GLN A 90 46.060 23.913 17.482 1.00 0.00 C ATOM 1182 O GLN A 90 45.724 24.582 18.459 1.00 0.00 O ATOM 1183 CB GLN A 90 48.219 22.902 16.837 1.00 0.00 C ATOM 1184 CG GLN A 90 49.246 21.799 17.105 1.00 0.00 C ATOM 1185 CD GLN A 90 50.507 22.036 16.285 1.00 0.00 C ATOM 1186 OE1 GLN A 90 50.603 21.657 15.119 1.00 0.00 O ATOM 1187 NE2 GLN A 90 51.518 22.695 16.913 1.00 0.00 N ATOM 0 H GLN A 90 46.683 21.057 16.457 1.00 0.00 H new ATOM 0 HA GLN A 90 47.142 22.636 18.714 1.00 0.00 H new ATOM 0 HB2 GLN A 90 47.978 22.920 15.774 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.658 23.870 17.080 1.00 0.00 H new ATOM 0 HG2 GLN A 90 49.494 21.775 18.166 1.00 0.00 H new ATOM 0 HG3 GLN A 90 48.819 20.828 16.855 1.00 0.00 H new ATOM 0 HE21 GLN A 90 51.407 22.996 17.881 1.00 0.00 H new ATOM 0 HE22 GLN A 90 52.387 22.888 16.416 1.00 0.00 H new ATOM 1196 N VAL A 91 45.692 24.253 16.234 1.00 0.00 N ATOM 1197 CA VAL A 91 44.913 25.413 15.927 1.00 0.00 C ATOM 1198 C VAL A 91 43.490 25.014 15.741 1.00 0.00 C ATOM 1199 O VAL A 91 43.143 24.194 14.892 1.00 0.00 O ATOM 1200 CB VAL A 91 45.390 26.176 14.727 1.00 0.00 C ATOM 1201 CG1 VAL A 91 44.545 27.442 14.504 1.00 0.00 C ATOM 1202 CG2 VAL A 91 46.861 26.572 14.933 1.00 0.00 C ATOM 0 H VAL A 91 45.944 23.704 15.412 1.00 0.00 H new ATOM 0 HA VAL A 91 45.023 26.092 16.773 1.00 0.00 H new ATOM 0 HB VAL A 91 45.290 25.539 13.848 1.00 0.00 H new ATOM 0 HG11 VAL A 91 44.913 27.975 13.628 1.00 0.00 H new ATOM 0 HG12 VAL A 91 43.504 27.161 14.347 1.00 0.00 H new ATOM 0 HG13 VAL A 91 44.619 28.088 15.379 1.00 0.00 H new ATOM 0 HG21 VAL A 91 47.214 27.127 14.064 1.00 0.00 H new ATOM 0 HG22 VAL A 91 46.949 27.196 15.822 1.00 0.00 H new ATOM 0 HG23 VAL A 91 47.465 25.674 15.059 1.00 0.00 H new ATOM 1212 N VAL A 92 42.615 25.603 16.576 1.00 0.00 N ATOM 1213 CA VAL A 92 41.245 25.268 16.811 1.00 0.00 C ATOM 1214 C VAL A 92 40.384 26.391 16.341 1.00 0.00 C ATOM 1215 O VAL A 92 40.503 27.525 16.802 1.00 0.00 O ATOM 1216 CB VAL A 92 41.097 25.044 18.286 1.00 0.00 C ATOM 1217 CG1 VAL A 92 39.627 24.827 18.684 1.00 0.00 C ATOM 1218 CG2 VAL A 92 41.893 23.775 18.634 1.00 0.00 C ATOM 0 H VAL A 92 42.902 26.399 17.146 1.00 0.00 H new ATOM 0 HA VAL A 92 40.943 24.371 16.271 1.00 0.00 H new ATOM 0 HB VAL A 92 41.461 25.921 18.821 1.00 0.00 H new ATOM 0 HG11 VAL A 92 39.561 24.668 19.760 1.00 0.00 H new ATOM 0 HG12 VAL A 92 39.043 25.705 18.410 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.234 23.953 18.164 1.00 0.00 H new ATOM 0 HG21 VAL A 92 41.811 23.576 19.702 1.00 0.00 H new ATOM 0 HG22 VAL A 92 41.492 22.929 18.075 1.00 0.00 H new ATOM 0 HG23 VAL A 92 42.941 23.919 18.371 1.00 0.00 H new ATOM 1228 N HIS A 93 39.489 26.134 15.371 1.00 0.00 N ATOM 1229 CA HIS A 93 38.691 27.145 14.751 1.00 0.00 C ATOM 1230 C HIS A 93 37.258 27.100 15.162 1.00 0.00 C ATOM 1231 O HIS A 93 36.435 26.440 14.530 1.00 0.00 O ATOM 1232 CB HIS A 93 38.799 26.984 13.226 1.00 0.00 C ATOM 1233 CG HIS A 93 38.239 28.112 12.412 1.00 0.00 C ATOM 1234 ND1 HIS A 93 37.999 28.016 11.057 1.00 0.00 N ATOM 1235 CD2 HIS A 93 38.025 29.416 12.737 1.00 0.00 C ATOM 1236 CE1 HIS A 93 37.646 29.257 10.627 1.00 0.00 C ATOM 1237 NE2 HIS A 93 37.657 30.131 11.616 1.00 0.00 N ATOM 0 H HIS A 93 39.316 25.197 15.008 1.00 0.00 H new ATOM 0 HA HIS A 93 39.073 28.113 15.076 1.00 0.00 H new ATOM 0 HB2 HIS A 93 39.850 26.859 12.966 1.00 0.00 H new ATOM 0 HB3 HIS A 93 38.288 26.065 12.939 1.00 0.00 H new ATOM 0 HD2 HIS A 93 38.128 29.831 13.729 1.00 0.00 H new ATOM 0 HE1 HIS A 93 37.389 29.497 9.606 1.00 0.00 H new ATOM 0 HE2 HIS A 93 37.439 31.126 11.563 1.00 0.00 H new ATOM 1245 N LEU A 94 36.869 27.792 16.246 1.00 0.00 N ATOM 1246 CA LEU A 94 35.525 27.791 16.735 1.00 0.00 C ATOM 1247 C LEU A 94 34.686 28.898 16.195 1.00 0.00 C ATOM 1248 O LEU A 94 35.180 29.944 15.777 1.00 0.00 O ATOM 1249 CB LEU A 94 35.439 27.846 18.270 1.00 0.00 C ATOM 1250 CG LEU A 94 36.386 26.876 18.995 1.00 0.00 C ATOM 1251 CD1 LEU A 94 36.242 26.997 20.522 1.00 0.00 C ATOM 1252 CD2 LEU A 94 36.133 25.418 18.575 1.00 0.00 C ATOM 0 H LEU A 94 37.505 28.368 16.798 1.00 0.00 H new ATOM 0 HA LEU A 94 35.133 26.839 16.376 1.00 0.00 H new ATOM 0 HB2 LEU A 94 35.659 28.862 18.598 1.00 0.00 H new ATOM 0 HB3 LEU A 94 34.415 27.628 18.572 1.00 0.00 H new ATOM 0 HG LEU A 94 37.400 27.152 18.707 1.00 0.00 H new ATOM 0 HD11 LEU A 94 36.924 26.299 21.008 1.00 0.00 H new ATOM 0 HD12 LEU A 94 36.483 28.014 20.831 1.00 0.00 H new ATOM 0 HD13 LEU A 94 35.217 26.763 20.810 1.00 0.00 H new ATOM 0 HD21 LEU A 94 36.821 24.761 19.108 1.00 0.00 H new ATOM 0 HD22 LEU A 94 35.107 25.142 18.818 1.00 0.00 H new ATOM 0 HD23 LEU A 94 36.292 25.316 17.502 1.00 0.00 H new ATOM 1264 N LEU A 95 33.354 28.714 16.209 1.00 0.00 N ATOM 1265 CA LEU A 95 32.388 29.729 15.923 1.00 0.00 C ATOM 1266 C LEU A 95 31.412 29.772 17.048 1.00 0.00 C ATOM 1267 O LEU A 95 30.878 28.732 17.428 1.00 0.00 O ATOM 1268 CB LEU A 95 31.673 29.396 14.603 1.00 0.00 C ATOM 1269 CG LEU A 95 30.512 30.314 14.187 1.00 0.00 C ATOM 1270 CD1 LEU A 95 30.958 31.748 13.860 1.00 0.00 C ATOM 1271 CD2 LEU A 95 29.754 29.716 12.989 1.00 0.00 C ATOM 0 H LEU A 95 32.930 27.813 16.431 1.00 0.00 H new ATOM 0 HA LEU A 95 32.870 30.701 15.818 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.415 29.405 13.804 1.00 0.00 H new ATOM 0 HB3 LEU A 95 31.291 28.377 14.672 1.00 0.00 H new ATOM 0 HG LEU A 95 29.850 30.377 15.051 1.00 0.00 H new ATOM 0 HD11 LEU A 95 30.090 32.343 13.574 1.00 0.00 H new ATOM 0 HD12 LEU A 95 31.429 32.192 14.737 1.00 0.00 H new ATOM 0 HD13 LEU A 95 31.672 31.728 13.036 1.00 0.00 H new ATOM 0 HD21 LEU A 95 28.936 30.379 12.708 1.00 0.00 H new ATOM 0 HD22 LEU A 95 30.436 29.604 12.146 1.00 0.00 H new ATOM 0 HD23 LEU A 95 29.353 28.740 13.263 1.00 0.00 H new ATOM 1283 N LEU A 96 31.135 30.952 17.631 1.00 0.00 N ATOM 1284 CA LEU A 96 30.201 31.069 18.707 1.00 0.00 C ATOM 1285 C LEU A 96 29.377 32.309 18.653 1.00 0.00 C ATOM 1286 O LEU A 96 29.698 33.282 17.974 1.00 0.00 O ATOM 1287 CB LEU A 96 30.811 30.848 20.102 1.00 0.00 C ATOM 1288 CG LEU A 96 31.781 31.864 20.729 1.00 0.00 C ATOM 1289 CD1 LEU A 96 33.043 32.160 19.901 1.00 0.00 C ATOM 1290 CD2 LEU A 96 31.102 33.154 21.219 1.00 0.00 C ATOM 0 H LEU A 96 31.564 31.835 17.353 1.00 0.00 H new ATOM 0 HA LEU A 96 29.518 30.235 18.545 1.00 0.00 H new ATOM 0 HB2 LEU A 96 29.979 30.735 20.797 1.00 0.00 H new ATOM 0 HB3 LEU A 96 31.332 29.891 20.071 1.00 0.00 H new ATOM 0 HG LEU A 96 32.137 31.340 21.616 1.00 0.00 H new ATOM 0 HD11 LEU A 96 33.661 32.887 20.428 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.608 31.239 19.757 1.00 0.00 H new ATOM 0 HD13 LEU A 96 32.755 32.564 18.930 1.00 0.00 H new ATOM 0 HD21 LEU A 96 31.851 33.819 21.648 1.00 0.00 H new ATOM 0 HD22 LEU A 96 30.614 33.650 20.380 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.358 32.908 21.977 1.00 0.00 H new ATOM 1302 N GLU A 97 28.246 32.301 19.384 1.00 0.00 N ATOM 1303 CA GLU A 97 27.360 33.412 19.540 1.00 0.00 C ATOM 1304 C GLU A 97 27.256 33.771 20.982 1.00 0.00 C ATOM 1305 O GLU A 97 27.054 32.914 21.841 1.00 0.00 O ATOM 1306 CB GLU A 97 25.969 33.081 18.974 1.00 0.00 C ATOM 1307 CG GLU A 97 25.016 34.277 18.919 1.00 0.00 C ATOM 1308 CD GLU A 97 23.731 33.914 18.187 1.00 0.00 C ATOM 1309 OE1 GLU A 97 22.870 33.215 18.786 1.00 0.00 O ATOM 1310 OE2 GLU A 97 23.580 34.321 17.004 1.00 0.00 O ATOM 0 H GLU A 97 27.935 31.474 19.893 1.00 0.00 H new ATOM 0 HA GLU A 97 27.761 34.261 18.986 1.00 0.00 H new ATOM 0 HB2 GLU A 97 26.085 32.676 17.969 1.00 0.00 H new ATOM 0 HB3 GLU A 97 25.518 32.298 19.583 1.00 0.00 H new ATOM 0 HG2 GLU A 97 24.782 34.608 19.931 1.00 0.00 H new ATOM 0 HG3 GLU A 97 25.503 35.112 18.415 1.00 0.00 H new ATOM 1317 N LYS A 98 27.388 35.066 21.319 1.00 0.00 N ATOM 1318 CA LYS A 98 27.624 35.534 22.650 1.00 0.00 C ATOM 1319 C LYS A 98 26.410 35.526 23.513 1.00 0.00 C ATOM 1320 O LYS A 98 25.325 35.956 23.125 1.00 0.00 O ATOM 1321 CB LYS A 98 28.196 36.961 22.604 1.00 0.00 C ATOM 1322 CG LYS A 98 28.689 37.527 23.936 1.00 0.00 C ATOM 1323 CD LYS A 98 29.860 36.744 24.531 1.00 0.00 C ATOM 1324 CE LYS A 98 30.025 36.923 26.041 1.00 0.00 C ATOM 1325 NZ LYS A 98 30.689 38.202 26.376 1.00 0.00 N ATOM 0 H LYS A 98 27.328 35.820 20.635 1.00 0.00 H new ATOM 0 HA LYS A 98 28.335 34.838 23.095 1.00 0.00 H new ATOM 0 HB2 LYS A 98 29.025 36.977 21.896 1.00 0.00 H new ATOM 0 HB3 LYS A 98 27.428 37.627 22.211 1.00 0.00 H new ATOM 0 HG2 LYS A 98 28.991 38.565 23.792 1.00 0.00 H new ATOM 0 HG3 LYS A 98 27.864 37.531 24.649 1.00 0.00 H new ATOM 0 HD2 LYS A 98 29.723 35.685 24.314 1.00 0.00 H new ATOM 0 HD3 LYS A 98 30.780 37.054 24.036 1.00 0.00 H new ATOM 0 HE2 LYS A 98 29.047 36.886 26.520 1.00 0.00 H new ATOM 0 HE3 LYS A 98 30.609 36.095 26.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 30.782 38.285 27.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 31.633 38.228 25.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 30.120 38.994 26.015 1.00 0.00 H new