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 Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.000857 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00469 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 143:sc= -0.0611 (180deg=-1.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.71 K(o=0.71,f=-2.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 87 ASN : amide:sc= -0.0915 X(o=-0.091,f=-0.33) USER MOD Single : A 88 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 93 HIS : no HE2:sc= -0.0821 K(o=-0.082,f=-2!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 25.035 38.248 18.352 1.00 0.00 N ATOM 45 CA ASP A 12 25.959 38.399 17.272 1.00 0.00 C ATOM 46 C ASP A 12 26.903 37.249 17.338 1.00 0.00 C ATOM 47 O ASP A 12 26.853 36.466 18.285 1.00 0.00 O ATOM 48 CB ASP A 12 26.661 39.757 17.433 1.00 0.00 C ATOM 49 CG ASP A 12 27.442 40.234 16.216 1.00 0.00 C ATOM 50 OD1 ASP A 12 27.430 39.567 15.147 1.00 0.00 O ATOM 51 OD2 ASP A 12 28.094 41.304 16.341 1.00 0.00 O ATOM 0 HA ASP A 12 25.479 38.393 16.294 1.00 0.00 H new ATOM 0 HB2 ASP A 12 25.911 40.508 17.680 1.00 0.00 H new ATOM 0 HB3 ASP A 12 27.343 39.697 18.281 1.00 0.00 H new ATOM 56 N THR A 13 27.797 37.057 16.351 1.00 0.00 N ATOM 57 CA THR A 13 28.716 35.961 16.333 1.00 0.00 C ATOM 58 C THR A 13 30.131 36.427 16.306 1.00 0.00 C ATOM 59 O THR A 13 30.431 37.574 15.982 1.00 0.00 O ATOM 60 CB THR A 13 28.503 34.969 15.228 1.00 0.00 C ATOM 61 OG1 THR A 13 28.447 35.571 13.944 1.00 0.00 O ATOM 62 CG2 THR A 13 27.164 34.243 15.437 1.00 0.00 C ATOM 0 H THR A 13 27.883 37.678 15.547 1.00 0.00 H new ATOM 0 HA THR A 13 28.508 35.436 17.265 1.00 0.00 H new ATOM 0 HB THR A 13 29.355 34.289 15.264 1.00 0.00 H new ATOM 0 HG1 THR A 13 28.309 34.879 13.264 1.00 0.00 H new ATOM 0 HG21 THR A 13 27.011 33.523 14.633 1.00 0.00 H new ATOM 0 HG22 THR A 13 27.179 33.721 16.394 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.352 34.970 15.432 1.00 0.00 H new ATOM 70 N PHE A 14 31.068 35.508 16.598 1.00 0.00 N ATOM 71 CA PHE A 14 32.457 35.697 16.319 1.00 0.00 C ATOM 72 C PHE A 14 33.087 34.386 15.998 1.00 0.00 C ATOM 73 O PHE A 14 32.771 33.352 16.585 1.00 0.00 O ATOM 74 CB PHE A 14 33.339 36.341 17.403 1.00 0.00 C ATOM 75 CG PHE A 14 32.621 37.000 18.531 1.00 0.00 C ATOM 76 CD1 PHE A 14 32.170 36.234 19.580 1.00 0.00 C ATOM 77 CD2 PHE A 14 32.563 38.371 18.619 1.00 0.00 C ATOM 78 CE1 PHE A 14 31.687 36.824 20.724 1.00 0.00 C ATOM 79 CE2 PHE A 14 32.091 38.967 19.765 1.00 0.00 C ATOM 80 CZ PHE A 14 31.665 38.196 20.819 1.00 0.00 C ATOM 0 H PHE A 14 30.855 34.613 17.038 1.00 0.00 H new ATOM 0 HA PHE A 14 32.428 36.411 15.496 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.991 35.571 17.815 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.981 37.082 16.927 1.00 0.00 H new ATOM 0 HD1 PHE A 14 32.195 35.157 19.504 1.00 0.00 H new ATOM 0 HD2 PHE A 14 32.888 38.980 17.788 1.00 0.00 H new ATOM 0 HE1 PHE A 14 31.328 36.216 21.541 1.00 0.00 H new ATOM 0 HE2 PHE A 14 32.055 40.044 19.836 1.00 0.00 H new ATOM 0 HZ PHE A 14 31.312 38.668 21.724 1.00 0.00 H new ATOM 90 N GLU A 15 34.051 34.414 15.061 1.00 0.00 N ATOM 91 CA GLU A 15 34.942 33.340 14.750 1.00 0.00 C ATOM 92 C GLU A 15 36.157 33.426 15.609 1.00 0.00 C ATOM 93 O GLU A 15 36.775 34.481 15.737 1.00 0.00 O ATOM 94 CB GLU A 15 35.359 33.353 13.269 1.00 0.00 C ATOM 95 CG GLU A 15 34.274 33.791 12.285 1.00 0.00 C ATOM 96 CD GLU A 15 34.238 35.301 12.093 1.00 0.00 C ATOM 97 OE1 GLU A 15 35.011 35.814 11.241 1.00 0.00 O ATOM 98 OE2 GLU A 15 33.447 36.000 12.780 1.00 0.00 O ATOM 0 H GLU A 15 34.218 35.239 14.485 1.00 0.00 H new ATOM 0 HA GLU A 15 34.413 32.407 14.943 1.00 0.00 H new ATOM 0 HB2 GLU A 15 36.217 34.016 13.157 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.692 32.352 12.994 1.00 0.00 H new ATOM 0 HG2 GLU A 15 34.445 33.309 11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.303 33.450 12.644 1.00 0.00 H new ATOM 105 N VAL A 16 36.534 32.307 16.254 1.00 0.00 N ATOM 106 CA VAL A 16 37.637 32.219 17.160 1.00 0.00 C ATOM 107 C VAL A 16 38.622 31.245 16.611 1.00 0.00 C ATOM 108 O VAL A 16 38.372 30.043 16.549 1.00 0.00 O ATOM 109 CB VAL A 16 37.196 31.799 18.532 1.00 0.00 C ATOM 110 CG1 VAL A 16 38.334 31.280 19.427 1.00 0.00 C ATOM 111 CG2 VAL A 16 36.520 32.999 19.216 1.00 0.00 C ATOM 0 H VAL A 16 36.045 31.420 16.137 1.00 0.00 H new ATOM 0 HA VAL A 16 38.093 33.204 17.259 1.00 0.00 H new ATOM 0 HB VAL A 16 36.509 30.963 18.402 1.00 0.00 H new ATOM 0 HG11 VAL A 16 37.932 30.998 20.400 1.00 0.00 H new ATOM 0 HG12 VAL A 16 38.797 30.411 18.960 1.00 0.00 H new ATOM 0 HG13 VAL A 16 39.081 32.063 19.557 1.00 0.00 H new ATOM 0 HG21 VAL A 16 36.193 32.711 20.215 1.00 0.00 H new ATOM 0 HG22 VAL A 16 37.230 33.823 19.290 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.658 33.314 18.629 1.00 0.00 H new ATOM 121 N GLU A 17 39.817 31.719 16.215 1.00 0.00 N ATOM 122 CA GLU A 17 40.937 30.869 15.951 1.00 0.00 C ATOM 123 C GLU A 17 41.760 30.812 17.192 1.00 0.00 C ATOM 124 O GLU A 17 42.375 31.796 17.602 1.00 0.00 O ATOM 125 CB GLU A 17 41.750 31.354 14.740 1.00 0.00 C ATOM 126 CG GLU A 17 41.119 30.898 13.422 1.00 0.00 C ATOM 127 CD GLU A 17 41.635 31.664 12.212 1.00 0.00 C ATOM 128 OE1 GLU A 17 42.850 31.570 11.892 1.00 0.00 O ATOM 129 OE2 GLU A 17 40.822 32.374 11.562 1.00 0.00 O ATOM 0 H GLU A 17 40.009 32.711 16.075 1.00 0.00 H new ATOM 0 HA GLU A 17 40.594 29.868 15.687 1.00 0.00 H new ATOM 0 HB2 GLU A 17 41.815 32.442 14.756 1.00 0.00 H new ATOM 0 HB3 GLU A 17 42.769 30.973 14.808 1.00 0.00 H new ATOM 0 HG2 GLU A 17 41.315 29.835 13.282 1.00 0.00 H new ATOM 0 HG3 GLU A 17 40.037 31.017 13.485 1.00 0.00 H new ATOM 136 N LEU A 18 41.745 29.659 17.883 1.00 0.00 N ATOM 137 CA LEU A 18 42.418 29.476 19.132 1.00 0.00 C ATOM 138 C LEU A 18 43.363 28.328 19.049 1.00 0.00 C ATOM 139 O LEU A 18 43.014 27.205 18.689 1.00 0.00 O ATOM 140 CB LEU A 18 41.401 29.184 20.249 1.00 0.00 C ATOM 141 CG LEU A 18 41.981 29.164 21.674 1.00 0.00 C ATOM 142 CD1 LEU A 18 42.318 30.584 22.158 1.00 0.00 C ATOM 143 CD2 LEU A 18 40.997 28.472 22.632 1.00 0.00 C ATOM 0 H LEU A 18 41.249 28.827 17.563 1.00 0.00 H new ATOM 0 HA LEU A 18 42.965 30.392 19.355 1.00 0.00 H new ATOM 0 HB2 LEU A 18 40.612 29.935 20.206 1.00 0.00 H new ATOM 0 HB3 LEU A 18 40.934 28.219 20.050 1.00 0.00 H new ATOM 0 HG LEU A 18 42.911 28.596 21.660 1.00 0.00 H new ATOM 0 HD11 LEU A 18 42.726 30.537 23.168 1.00 0.00 H new ATOM 0 HD12 LEU A 18 43.054 31.031 21.490 1.00 0.00 H new ATOM 0 HD13 LEU A 18 41.413 31.192 22.160 1.00 0.00 H new ATOM 0 HD21 LEU A 18 41.415 28.462 23.639 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.052 29.015 22.637 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.826 27.448 22.300 1.00 0.00 H new ATOM 155 N ALA A 19 44.631 28.538 19.445 1.00 0.00 N ATOM 156 CA ALA A 19 45.605 27.509 19.638 1.00 0.00 C ATOM 157 C ALA A 19 45.735 27.211 21.093 1.00 0.00 C ATOM 158 O ALA A 19 45.762 28.111 21.930 1.00 0.00 O ATOM 159 CB ALA A 19 46.964 27.927 19.054 1.00 0.00 C ATOM 0 H ALA A 19 44.994 29.471 19.640 1.00 0.00 H new ATOM 0 HA ALA A 19 45.276 26.611 19.115 1.00 0.00 H new ATOM 0 HB1 ALA A 19 47.689 27.129 19.213 1.00 0.00 H new ATOM 0 HB2 ALA A 19 46.859 28.115 17.985 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.309 28.834 19.549 1.00 0.00 H new ATOM 165 N LYS A 20 45.819 25.920 21.458 1.00 0.00 N ATOM 166 CA LYS A 20 46.009 25.525 22.819 1.00 0.00 C ATOM 167 C LYS A 20 47.363 25.862 23.342 1.00 0.00 C ATOM 168 O LYS A 20 48.379 25.701 22.669 1.00 0.00 O ATOM 169 CB LYS A 20 45.642 24.050 23.057 1.00 0.00 C ATOM 170 CG LYS A 20 46.388 22.997 22.235 1.00 0.00 C ATOM 171 CD LYS A 20 45.999 21.558 22.576 1.00 0.00 C ATOM 172 CE LYS A 20 44.529 21.215 22.321 1.00 0.00 C ATOM 173 NZ LYS A 20 44.243 19.786 22.575 1.00 0.00 N ATOM 0 H LYS A 20 45.754 25.141 20.802 1.00 0.00 H new ATOM 0 HA LYS A 20 45.307 26.121 23.402 1.00 0.00 H new ATOM 0 HB2 LYS A 20 45.802 23.829 24.112 1.00 0.00 H new ATOM 0 HB3 LYS A 20 44.575 23.933 22.865 1.00 0.00 H new ATOM 0 HG2 LYS A 20 46.197 23.174 21.176 1.00 0.00 H new ATOM 0 HG3 LYS A 20 47.460 23.120 22.391 1.00 0.00 H new ATOM 0 HD2 LYS A 20 46.623 20.880 21.993 1.00 0.00 H new ATOM 0 HD3 LYS A 20 46.224 21.375 23.627 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.897 21.831 22.960 1.00 0.00 H new ATOM 0 HE3 LYS A 20 44.273 21.459 21.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.237 19.595 22.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.828 19.198 21.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.463 19.559 23.566 1.00 0.00 H new ATOM 187 N THR A 21 47.440 26.396 24.574 1.00 0.00 N ATOM 188 CA THR A 21 48.640 26.921 25.145 1.00 0.00 C ATOM 189 C THR A 21 49.395 25.872 25.886 1.00 0.00 C ATOM 190 O THR A 21 49.150 25.599 27.060 1.00 0.00 O ATOM 191 CB THR A 21 48.439 28.107 26.043 1.00 0.00 C ATOM 192 OG1 THR A 21 47.352 27.957 26.944 1.00 0.00 O ATOM 193 CG2 THR A 21 48.118 29.345 25.190 1.00 0.00 C ATOM 0 H THR A 21 46.635 26.464 25.196 1.00 0.00 H new ATOM 0 HA THR A 21 49.216 27.268 24.287 1.00 0.00 H new ATOM 0 HB THR A 21 49.363 28.206 26.613 1.00 0.00 H new ATOM 0 HG1 THR A 21 47.275 28.760 27.500 1.00 0.00 H new ATOM 0 HG21 THR A 21 47.972 30.207 25.841 1.00 0.00 H new ATOM 0 HG22 THR A 21 48.945 29.541 24.508 1.00 0.00 H new ATOM 0 HG23 THR A 21 47.209 29.165 24.616 1.00 0.00 H new ATOM 201 N ASP A 22 50.347 25.209 25.204 1.00 0.00 N ATOM 202 CA ASP A 22 51.207 24.200 25.736 1.00 0.00 C ATOM 203 C ASP A 22 50.468 23.060 26.349 1.00 0.00 C ATOM 204 O ASP A 22 50.799 22.565 27.425 1.00 0.00 O ATOM 205 CB ASP A 22 52.267 24.862 26.634 1.00 0.00 C ATOM 206 CG ASP A 22 53.486 23.992 26.901 1.00 0.00 C ATOM 207 OD1 ASP A 22 54.037 23.404 25.932 1.00 0.00 O ATOM 208 OD2 ASP A 22 53.918 23.904 28.082 1.00 0.00 O ATOM 0 H ASP A 22 50.526 25.391 24.217 1.00 0.00 H new ATOM 0 HA ASP A 22 51.743 23.713 24.921 1.00 0.00 H new ATOM 0 HB2 ASP A 22 52.593 25.792 26.168 1.00 0.00 H new ATOM 0 HB3 ASP A 22 51.807 25.126 27.586 1.00 0.00 H new ATOM 213 N GLY A 23 49.388 22.619 25.679 1.00 0.00 N ATOM 214 CA GLY A 23 48.489 21.613 26.153 1.00 0.00 C ATOM 215 C GLY A 23 47.181 22.114 26.662 1.00 0.00 C ATOM 216 O GLY A 23 46.223 21.349 26.754 1.00 0.00 O ATOM 0 H GLY A 23 49.129 22.982 24.762 1.00 0.00 H new ATOM 0 HA2 GLY A 23 48.299 20.909 25.343 1.00 0.00 H new ATOM 0 HA3 GLY A 23 48.981 21.056 26.951 1.00 0.00 H new ATOM 220 N SER A 24 47.071 23.401 27.037 1.00 0.00 N ATOM 221 CA SER A 24 45.927 23.924 27.716 1.00 0.00 C ATOM 222 C SER A 24 44.909 24.534 26.815 1.00 0.00 C ATOM 223 O SER A 24 45.097 25.598 26.228 1.00 0.00 O ATOM 224 CB SER A 24 46.336 24.967 28.770 1.00 0.00 C ATOM 225 OG SER A 24 45.302 25.288 29.689 1.00 0.00 O ATOM 0 H SER A 24 47.797 24.096 26.863 1.00 0.00 H new ATOM 0 HA SER A 24 45.467 23.057 28.190 1.00 0.00 H new ATOM 0 HB2 SER A 24 47.198 24.593 29.323 1.00 0.00 H new ATOM 0 HB3 SER A 24 46.654 25.878 28.262 1.00 0.00 H new ATOM 0 HG SER A 24 45.629 25.953 30.330 1.00 0.00 H new ATOM 231 N LEU A 25 43.741 23.877 26.690 1.00 0.00 N ATOM 232 CA LEU A 25 42.566 24.380 26.050 1.00 0.00 C ATOM 233 C LEU A 25 41.472 24.261 27.054 1.00 0.00 C ATOM 234 O LEU A 25 40.546 23.461 26.925 1.00 0.00 O ATOM 235 CB LEU A 25 42.252 23.694 24.710 1.00 0.00 C ATOM 236 CG LEU A 25 41.628 24.641 23.672 1.00 0.00 C ATOM 237 CD1 LEU A 25 41.567 23.998 22.275 1.00 0.00 C ATOM 238 CD2 LEU A 25 40.229 25.132 24.082 1.00 0.00 C ATOM 0 H LEU A 25 43.611 22.935 27.060 1.00 0.00 H new ATOM 0 HA LEU A 25 42.704 25.420 25.753 1.00 0.00 H new ATOM 0 HB2 LEU A 25 43.171 23.273 24.301 1.00 0.00 H new ATOM 0 HB3 LEU A 25 41.571 22.861 24.887 1.00 0.00 H new ATOM 0 HG LEU A 25 42.287 25.508 23.631 1.00 0.00 H new ATOM 0 HD11 LEU A 25 41.120 24.699 21.571 1.00 0.00 H new ATOM 0 HD12 LEU A 25 42.575 23.747 21.946 1.00 0.00 H new ATOM 0 HD13 LEU A 25 40.963 23.092 22.318 1.00 0.00 H new ATOM 0 HD21 LEU A 25 39.837 25.797 23.313 1.00 0.00 H new ATOM 0 HD22 LEU A 25 39.563 24.277 24.197 1.00 0.00 H new ATOM 0 HD23 LEU A 25 40.295 25.670 25.028 1.00 0.00 H new ATOM 250 N GLY A 26 41.582 25.010 28.166 1.00 0.00 N ATOM 251 CA GLY A 26 40.846 24.851 29.380 1.00 0.00 C ATOM 252 C GLY A 26 39.505 25.494 29.287 1.00 0.00 C ATOM 253 O GLY A 26 39.239 26.567 29.827 1.00 0.00 O ATOM 0 H GLY A 26 42.239 25.788 28.218 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.729 23.790 29.601 1.00 0.00 H new ATOM 0 HA3 GLY A 26 41.405 25.289 30.207 1.00 0.00 H new ATOM 257 N ILE A 27 38.615 24.810 28.545 1.00 0.00 N ATOM 258 CA ILE A 27 37.216 25.092 28.464 1.00 0.00 C ATOM 259 C ILE A 27 36.430 24.162 29.321 1.00 0.00 C ATOM 260 O ILE A 27 36.843 23.044 29.626 1.00 0.00 O ATOM 261 CB ILE A 27 36.717 24.994 27.053 1.00 0.00 C ATOM 262 CG1 ILE A 27 37.052 23.650 26.384 1.00 0.00 C ATOM 263 CG2 ILE A 27 37.289 26.180 26.258 1.00 0.00 C ATOM 264 CD1 ILE A 27 36.337 23.439 25.050 1.00 0.00 C ATOM 0 H ILE A 27 38.889 24.014 27.969 1.00 0.00 H new ATOM 0 HA ILE A 27 37.080 26.113 28.819 1.00 0.00 H new ATOM 0 HB ILE A 27 35.628 25.038 27.066 1.00 0.00 H new ATOM 0 HG12 ILE A 27 38.129 23.591 26.224 1.00 0.00 H new ATOM 0 HG13 ILE A 27 36.786 22.839 27.062 1.00 0.00 H new ATOM 0 HG21 ILE A 27 36.939 26.130 25.227 1.00 0.00 H new ATOM 0 HG22 ILE A 27 36.956 27.115 26.709 1.00 0.00 H new ATOM 0 HG23 ILE A 27 38.378 26.137 26.274 1.00 0.00 H new ATOM 0 HD11 ILE A 27 36.620 22.472 24.635 1.00 0.00 H new ATOM 0 HD12 ILE A 27 35.259 23.466 25.207 1.00 0.00 H new ATOM 0 HD13 ILE A 27 36.622 24.229 24.355 1.00 0.00 H new ATOM 276 N SER A 28 35.217 24.570 29.735 1.00 0.00 N ATOM 277 CA SER A 28 34.204 23.658 30.169 1.00 0.00 C ATOM 278 C SER A 28 32.959 23.990 29.422 1.00 0.00 C ATOM 279 O SER A 28 32.535 25.145 29.382 1.00 0.00 O ATOM 280 CB SER A 28 33.959 23.694 31.686 1.00 0.00 C ATOM 281 OG SER A 28 32.960 22.780 32.112 1.00 0.00 O ATOM 0 H SER A 28 34.935 25.550 29.769 1.00 0.00 H new ATOM 0 HA SER A 28 34.535 22.641 29.960 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.892 23.470 32.204 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.667 24.703 31.977 1.00 0.00 H new ATOM 0 HG SER A 28 32.849 22.846 33.083 1.00 0.00 H new ATOM 287 N VAL A 29 32.340 22.988 28.772 1.00 0.00 N ATOM 288 CA VAL A 29 31.156 23.138 27.985 1.00 0.00 C ATOM 289 C VAL A 29 30.065 22.282 28.531 1.00 0.00 C ATOM 290 O VAL A 29 30.270 21.429 29.393 1.00 0.00 O ATOM 291 CB VAL A 29 31.363 22.843 26.529 1.00 0.00 C ATOM 292 CG1 VAL A 29 32.295 23.910 25.931 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.931 21.431 26.305 1.00 0.00 C ATOM 0 H VAL A 29 32.682 22.027 28.797 1.00 0.00 H new ATOM 0 HA VAL A 29 30.875 24.189 28.050 1.00 0.00 H new ATOM 0 HB VAL A 29 30.397 22.875 26.026 1.00 0.00 H new ATOM 0 HG11 VAL A 29 32.452 23.704 24.872 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.842 24.895 26.046 1.00 0.00 H new ATOM 0 HG13 VAL A 29 33.253 23.889 26.450 1.00 0.00 H new ATOM 0 HG21 VAL A 29 32.066 21.258 25.237 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.892 21.341 26.811 1.00 0.00 H new ATOM 0 HG23 VAL A 29 31.238 20.692 26.708 1.00 0.00 H new ATOM 303 N THR A 30 28.825 22.491 28.056 1.00 0.00 N ATOM 304 CA THR A 30 27.674 21.715 28.402 1.00 0.00 C ATOM 305 C THR A 30 26.753 21.730 27.231 1.00 0.00 C ATOM 306 O THR A 30 27.079 22.292 26.187 1.00 0.00 O ATOM 307 CB THR A 30 26.995 22.228 29.637 1.00 0.00 C ATOM 308 OG1 THR A 30 26.092 21.280 30.185 1.00 0.00 O ATOM 309 CG2 THR A 30 26.273 23.571 29.443 1.00 0.00 C ATOM 0 H THR A 30 28.614 23.240 27.396 1.00 0.00 H new ATOM 0 HA THR A 30 27.978 20.695 28.635 1.00 0.00 H new ATOM 0 HB THR A 30 27.810 22.398 30.340 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.673 21.654 30.988 1.00 0.00 H new ATOM 0 HG21 THR A 30 25.808 23.873 30.381 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.992 24.329 29.134 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.506 23.464 28.676 1.00 0.00 H new ATOM 317 N GLY A 31 25.549 21.142 27.352 1.00 0.00 N ATOM 318 CA GLY A 31 24.505 21.300 26.387 1.00 0.00 C ATOM 319 C GLY A 31 24.131 20.051 25.667 1.00 0.00 C ATOM 320 O GLY A 31 24.540 18.951 26.034 1.00 0.00 O ATOM 0 H GLY A 31 25.295 20.543 28.138 1.00 0.00 H new ATOM 0 HA2 GLY A 31 23.621 21.693 26.889 1.00 0.00 H new ATOM 0 HA3 GLY A 31 24.814 22.047 25.656 1.00 0.00 H new ATOM 324 N GLY A 32 23.329 20.209 24.599 1.00 0.00 N ATOM 325 CA GLY A 32 22.964 19.169 23.686 1.00 0.00 C ATOM 326 C GLY A 32 21.540 18.738 23.758 1.00 0.00 C ATOM 327 O GLY A 32 20.826 18.951 24.737 1.00 0.00 O ATOM 0 H GLY A 32 22.913 21.109 24.360 1.00 0.00 H new ATOM 0 HA2 GLY A 32 23.175 19.507 22.671 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.600 18.303 23.872 1.00 0.00 H new ATOM 331 N VAL A 33 21.078 18.062 22.691 1.00 0.00 N ATOM 332 CA VAL A 33 19.752 17.568 22.483 1.00 0.00 C ATOM 333 C VAL A 33 19.262 16.589 23.495 1.00 0.00 C ATOM 334 O VAL A 33 18.086 16.562 23.851 1.00 0.00 O ATOM 335 CB VAL A 33 19.674 16.996 21.098 1.00 0.00 C ATOM 336 CG1 VAL A 33 18.447 16.105 20.843 1.00 0.00 C ATOM 337 CG2 VAL A 33 19.650 18.173 20.109 1.00 0.00 C ATOM 0 H VAL A 33 21.689 17.842 21.904 1.00 0.00 H new ATOM 0 HA VAL A 33 19.081 18.418 22.604 1.00 0.00 H new ATOM 0 HB VAL A 33 20.542 16.350 20.968 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.472 15.736 19.818 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.460 15.261 21.533 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.537 16.686 20.997 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.593 17.791 19.090 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.781 18.800 20.310 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.558 18.764 20.225 1.00 0.00 H new ATOM 450 N GLY A 41 21.332 22.950 22.095 1.00 0.00 N ATOM 451 CA GLY A 41 22.405 23.888 21.972 1.00 0.00 C ATOM 452 C GLY A 41 23.550 23.512 22.849 1.00 0.00 C ATOM 453 O GLY A 41 23.365 22.971 23.937 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.737 23.932 20.935 1.00 0.00 H new ATOM 0 HA3 GLY A 41 22.053 24.885 22.236 1.00 0.00 H new ATOM 457 N ILE A 42 24.789 23.787 22.404 1.00 0.00 N ATOM 458 CA ILE A 42 25.987 23.541 23.145 1.00 0.00 C ATOM 459 C ILE A 42 26.414 24.827 23.765 1.00 0.00 C ATOM 460 O ILE A 42 26.531 25.828 23.060 1.00 0.00 O ATOM 461 CB ILE A 42 27.062 22.990 22.255 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.600 21.721 21.520 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.358 22.730 23.042 1.00 0.00 C ATOM 464 CD1 ILE A 42 26.271 20.529 22.419 1.00 0.00 C ATOM 0 H ILE A 42 24.963 24.199 21.487 1.00 0.00 H new ATOM 0 HA ILE A 42 25.803 22.797 23.920 1.00 0.00 H new ATOM 0 HB ILE A 42 27.272 23.746 21.499 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.717 21.964 20.929 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.380 21.422 20.819 1.00 0.00 H new ATOM 0 HG21 ILE A 42 29.118 22.331 22.370 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.713 23.664 23.477 1.00 0.00 H new ATOM 0 HG23 ILE A 42 28.163 22.010 23.837 1.00 0.00 H new ATOM 0 HD11 ILE A 42 25.956 19.686 21.804 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.156 20.250 22.992 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.467 20.800 23.103 1.00 0.00 H new ATOM 476 N TYR A 43 26.638 24.885 25.090 1.00 0.00 N ATOM 477 CA TYR A 43 26.851 26.120 25.779 1.00 0.00 C ATOM 478 C TYR A 43 28.107 26.083 26.581 1.00 0.00 C ATOM 479 O TYR A 43 28.552 25.027 27.029 1.00 0.00 O ATOM 480 CB TYR A 43 25.706 26.485 26.738 1.00 0.00 C ATOM 481 CG TYR A 43 24.392 26.550 26.038 1.00 0.00 C ATOM 482 CD1 TYR A 43 24.042 27.652 25.294 1.00 0.00 C ATOM 483 CD2 TYR A 43 23.512 25.499 26.134 1.00 0.00 C ATOM 484 CE1 TYR A 43 22.833 27.699 24.640 1.00 0.00 C ATOM 485 CE2 TYR A 43 22.303 25.535 25.478 1.00 0.00 C ATOM 486 CZ TYR A 43 21.970 26.632 24.719 1.00 0.00 C ATOM 487 OH TYR A 43 20.761 26.616 23.992 1.00 0.00 O ATOM 0 H TYR A 43 26.672 24.062 25.692 1.00 0.00 H new ATOM 0 HA TYR A 43 26.910 26.873 24.993 1.00 0.00 H new ATOM 0 HB2 TYR A 43 25.654 25.747 27.539 1.00 0.00 H new ATOM 0 HB3 TYR A 43 25.916 27.447 27.205 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.722 28.488 25.223 1.00 0.00 H new ATOM 0 HD2 TYR A 43 23.772 24.637 26.730 1.00 0.00 H new ATOM 0 HE1 TYR A 43 22.562 28.573 24.066 1.00 0.00 H new ATOM 0 HE2 TYR A 43 21.618 24.704 25.559 1.00 0.00 H new ATOM 0 HH TYR A 43 20.282 25.780 24.172 1.00 0.00 H new ATOM 497 N VAL A 44 28.740 27.246 26.816 1.00 0.00 N ATOM 498 CA VAL A 44 29.864 27.390 27.688 1.00 0.00 C ATOM 499 C VAL A 44 29.487 27.375 29.130 1.00 0.00 C ATOM 500 O VAL A 44 28.638 28.139 29.587 1.00 0.00 O ATOM 501 CB VAL A 44 30.702 28.588 27.350 1.00 0.00 C ATOM 502 CG1 VAL A 44 31.953 28.688 28.238 1.00 0.00 C ATOM 503 CG2 VAL A 44 31.131 28.435 25.881 1.00 0.00 C ATOM 0 H VAL A 44 28.456 28.123 26.380 1.00 0.00 H new ATOM 0 HA VAL A 44 30.481 26.507 27.518 1.00 0.00 H new ATOM 0 HB VAL A 44 30.120 29.495 27.516 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.529 29.570 27.957 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.652 28.768 29.283 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.566 27.797 28.105 1.00 0.00 H new ATOM 0 HG21 VAL A 44 31.745 29.288 25.591 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.706 27.517 25.764 1.00 0.00 H new ATOM 0 HG23 VAL A 44 30.246 28.392 25.246 1.00 0.00 H new ATOM 513 N LYS A 45 30.119 26.490 29.920 1.00 0.00 N ATOM 514 CA LYS A 45 29.829 26.265 31.303 1.00 0.00 C ATOM 515 C LYS A 45 30.766 27.007 32.193 1.00 0.00 C ATOM 516 O LYS A 45 30.353 27.568 33.206 1.00 0.00 O ATOM 517 CB LYS A 45 29.846 24.747 31.546 1.00 0.00 C ATOM 518 CG LYS A 45 29.484 24.251 32.948 1.00 0.00 C ATOM 519 CD LYS A 45 28.975 22.809 32.868 1.00 0.00 C ATOM 520 CE LYS A 45 29.020 21.962 34.141 1.00 0.00 C ATOM 521 NZ LYS A 45 28.281 22.593 35.258 1.00 0.00 N ATOM 0 H LYS A 45 30.875 25.898 29.575 1.00 0.00 H new ATOM 0 HA LYS A 45 28.841 26.654 31.551 1.00 0.00 H new ATOM 0 HB2 LYS A 45 29.158 24.285 30.838 1.00 0.00 H new ATOM 0 HB3 LYS A 45 30.844 24.379 31.306 1.00 0.00 H new ATOM 0 HG2 LYS A 45 30.356 24.304 33.600 1.00 0.00 H new ATOM 0 HG3 LYS A 45 28.720 24.893 33.386 1.00 0.00 H new ATOM 0 HD2 LYS A 45 27.942 22.838 32.522 1.00 0.00 H new ATOM 0 HD3 LYS A 45 29.553 22.292 32.102 1.00 0.00 H new ATOM 0 HE2 LYS A 45 28.596 20.979 33.937 1.00 0.00 H new ATOM 0 HE3 LYS A 45 30.058 21.807 34.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 28.338 21.985 36.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 28.701 23.520 35.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 27.284 22.718 34.988 1.00 0.00 H new ATOM 535 N ALA A 46 32.063 27.069 31.841 1.00 0.00 N ATOM 536 CA ALA A 46 33.032 27.856 32.540 1.00 0.00 C ATOM 537 C ALA A 46 34.229 28.081 31.684 1.00 0.00 C ATOM 538 O ALA A 46 34.523 27.281 30.796 1.00 0.00 O ATOM 539 CB ALA A 46 33.477 27.168 33.842 1.00 0.00 C ATOM 0 H ALA A 46 32.449 26.557 31.048 1.00 0.00 H new ATOM 0 HA ALA A 46 32.563 28.809 32.785 1.00 0.00 H new ATOM 0 HB1 ALA A 46 34.213 27.791 34.350 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.613 27.025 34.491 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.920 26.200 33.609 1.00 0.00 H new ATOM 545 N ILE A 47 34.984 29.169 31.922 1.00 0.00 N ATOM 546 CA ILE A 47 36.275 29.394 31.349 1.00 0.00 C ATOM 547 C ILE A 47 37.286 29.374 32.443 1.00 0.00 C ATOM 548 O ILE A 47 37.186 30.088 33.439 1.00 0.00 O ATOM 549 CB ILE A 47 36.302 30.580 30.431 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.966 30.230 29.087 1.00 0.00 C ATOM 551 CG2 ILE A 47 36.960 31.837 31.025 1.00 0.00 C ATOM 552 CD1 ILE A 47 36.072 29.392 28.175 1.00 0.00 C ATOM 0 H ILE A 47 34.682 29.923 32.539 1.00 0.00 H new ATOM 0 HA ILE A 47 36.543 28.587 30.668 1.00 0.00 H new ATOM 0 HB ILE A 47 35.253 30.830 30.275 1.00 0.00 H new ATOM 0 HG12 ILE A 47 37.237 31.152 28.572 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.892 29.687 29.277 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.934 32.643 30.291 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.418 32.143 31.920 1.00 0.00 H new ATOM 0 HG23 ILE A 47 37.995 31.617 31.286 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.599 29.180 27.245 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.821 28.455 28.672 1.00 0.00 H new ATOM 0 HD13 ILE A 47 35.157 29.943 27.956 1.00 0.00 H new ATOM 564 N ILE A 48 38.264 28.455 32.354 1.00 0.00 N ATOM 565 CA ILE A 48 39.199 28.132 33.387 1.00 0.00 C ATOM 566 C ILE A 48 40.288 29.134 33.553 1.00 0.00 C ATOM 567 O ILE A 48 40.964 29.388 32.556 1.00 0.00 O ATOM 568 CB ILE A 48 39.807 26.779 33.163 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.715 25.737 32.868 1.00 0.00 C ATOM 570 CG2 ILE A 48 40.686 26.346 34.348 1.00 0.00 C ATOM 571 CD1 ILE A 48 37.753 25.432 34.015 1.00 0.00 C ATOM 0 H ILE A 48 38.410 27.904 31.508 1.00 0.00 H new ATOM 0 HA ILE A 48 38.615 28.136 34.307 1.00 0.00 H new ATOM 0 HB ILE A 48 40.458 26.847 32.291 1.00 0.00 H new ATOM 0 HG12 ILE A 48 38.133 26.082 32.014 1.00 0.00 H new ATOM 0 HG13 ILE A 48 39.199 24.807 32.569 1.00 0.00 H new ATOM 0 HG21 ILE A 48 41.108 25.361 34.147 1.00 0.00 H new ATOM 0 HG22 ILE A 48 41.493 27.066 34.484 1.00 0.00 H new ATOM 0 HG23 ILE A 48 40.081 26.304 35.254 1.00 0.00 H new ATOM 0 HD11 ILE A 48 37.028 24.685 33.693 1.00 0.00 H new ATOM 0 HD12 ILE A 48 38.313 25.049 34.868 1.00 0.00 H new ATOM 0 HD13 ILE A 48 37.230 26.344 34.304 1.00 0.00 H new ATOM 583 N PRO A 49 40.592 29.696 34.685 1.00 0.00 N ATOM 584 CA PRO A 49 41.677 30.618 34.850 1.00 0.00 C ATOM 585 C PRO A 49 43.018 30.131 34.418 1.00 0.00 C ATOM 586 O PRO A 49 43.499 29.118 34.924 1.00 0.00 O ATOM 587 CB PRO A 49 41.669 30.959 36.338 1.00 0.00 C ATOM 588 CG PRO A 49 40.173 30.912 36.687 1.00 0.00 C ATOM 589 CD PRO A 49 39.687 29.737 35.824 1.00 0.00 C ATOM 0 HA PRO A 49 41.519 31.475 34.196 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.244 30.240 36.921 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.099 31.942 36.531 1.00 0.00 H new ATOM 0 HG2 PRO A 49 40.006 30.736 37.750 1.00 0.00 H new ATOM 0 HG3 PRO A 49 39.665 31.843 36.435 1.00 0.00 H new ATOM 0 HD2 PRO A 49 39.715 28.801 36.382 1.00 0.00 H new ATOM 0 HD3 PRO A 49 38.656 29.886 35.502 1.00 0.00 H new ATOM 597 N LYS A 50 43.617 30.843 33.446 1.00 0.00 N ATOM 598 CA LYS A 50 44.846 30.569 32.769 1.00 0.00 C ATOM 599 C LYS A 50 44.785 29.541 31.692 1.00 0.00 C ATOM 600 O LYS A 50 45.815 29.014 31.276 1.00 0.00 O ATOM 601 CB LYS A 50 46.092 30.433 33.660 1.00 0.00 C ATOM 602 CG LYS A 50 46.681 31.750 34.168 1.00 0.00 C ATOM 603 CD LYS A 50 47.136 32.773 33.125 1.00 0.00 C ATOM 604 CE LYS A 50 48.325 32.418 32.230 1.00 0.00 C ATOM 605 NZ LYS A 50 48.004 31.379 31.226 1.00 0.00 N ATOM 0 H LYS A 50 43.191 31.703 33.100 1.00 0.00 H new ATOM 0 HA LYS A 50 44.991 31.510 32.239 1.00 0.00 H new ATOM 0 HB2 LYS A 50 45.838 29.813 34.519 1.00 0.00 H new ATOM 0 HB3 LYS A 50 46.862 29.902 33.100 1.00 0.00 H new ATOM 0 HG2 LYS A 50 45.936 32.228 34.804 1.00 0.00 H new ATOM 0 HG3 LYS A 50 47.536 31.513 34.801 1.00 0.00 H new ATOM 0 HD2 LYS A 50 46.286 32.988 32.478 1.00 0.00 H new ATOM 0 HD3 LYS A 50 47.379 33.697 33.650 1.00 0.00 H new ATOM 0 HE2 LYS A 50 48.668 33.317 31.718 1.00 0.00 H new ATOM 0 HE3 LYS A 50 49.150 32.071 32.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 48.500 31.591 30.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 48.308 30.449 31.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 46.978 31.366 31.056 1.00 0.00 H new ATOM 619 N GLY A 51 43.602 29.290 31.102 1.00 0.00 N ATOM 620 CA GLY A 51 43.502 28.599 29.853 1.00 0.00 C ATOM 621 C GLY A 51 43.685 29.512 28.690 1.00 0.00 C ATOM 622 O GLY A 51 43.574 30.730 28.812 1.00 0.00 O ATOM 0 H GLY A 51 42.704 29.570 31.496 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.253 27.810 29.815 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.527 28.116 29.784 1.00 0.00 H new ATOM 626 N ALA A 52 43.932 28.951 27.492 1.00 0.00 N ATOM 627 CA ALA A 52 43.900 29.638 26.238 1.00 0.00 C ATOM 628 C ALA A 52 42.676 30.454 26.002 1.00 0.00 C ATOM 629 O ALA A 52 42.706 31.673 25.840 1.00 0.00 O ATOM 630 CB ALA A 52 44.102 28.612 25.111 1.00 0.00 C ATOM 0 H ALA A 52 44.167 27.963 27.394 1.00 0.00 H new ATOM 0 HA ALA A 52 44.711 30.366 26.256 1.00 0.00 H new ATOM 0 HB1 ALA A 52 44.080 29.121 24.147 1.00 0.00 H new ATOM 0 HB2 ALA A 52 45.065 28.117 25.238 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.305 27.870 25.147 1.00 0.00 H new ATOM 636 N ALA A 53 41.512 29.783 26.035 1.00 0.00 N ATOM 637 CA ALA A 53 40.212 30.328 25.796 1.00 0.00 C ATOM 638 C ALA A 53 39.774 31.345 26.792 1.00 0.00 C ATOM 639 O ALA A 53 38.981 32.237 26.495 1.00 0.00 O ATOM 640 CB ALA A 53 39.187 29.181 25.781 1.00 0.00 C ATOM 0 H ALA A 53 41.478 28.785 26.244 1.00 0.00 H new ATOM 0 HA ALA A 53 40.271 30.843 24.837 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.191 29.585 25.599 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.442 28.476 24.990 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.201 28.668 26.743 1.00 0.00 H new ATOM 646 N GLU A 54 40.303 31.252 28.025 1.00 0.00 N ATOM 647 CA GLU A 54 40.057 32.161 29.101 1.00 0.00 C ATOM 648 C GLU A 54 40.502 33.550 28.804 1.00 0.00 C ATOM 649 O GLU A 54 39.768 34.534 28.886 1.00 0.00 O ATOM 650 CB GLU A 54 40.808 31.686 30.357 1.00 0.00 C ATOM 651 CG GLU A 54 40.426 32.447 31.627 1.00 0.00 C ATOM 652 CD GLU A 54 41.414 33.467 32.176 1.00 0.00 C ATOM 653 OE1 GLU A 54 42.627 33.153 32.313 1.00 0.00 O ATOM 654 OE2 GLU A 54 40.968 34.588 32.538 1.00 0.00 O ATOM 0 H GLU A 54 40.939 30.498 28.285 1.00 0.00 H new ATOM 0 HA GLU A 54 38.978 32.174 29.254 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.611 30.624 30.507 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.880 31.791 30.190 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.485 32.963 31.436 1.00 0.00 H new ATOM 0 HG3 GLU A 54 40.234 31.714 32.410 1.00 0.00 H new ATOM 661 N SER A 55 41.789 33.645 28.427 1.00 0.00 N ATOM 662 CA SER A 55 42.489 34.864 28.160 1.00 0.00 C ATOM 663 C SER A 55 41.963 35.588 26.969 1.00 0.00 C ATOM 664 O SER A 55 41.789 36.805 27.006 1.00 0.00 O ATOM 665 CB SER A 55 43.980 34.591 27.894 1.00 0.00 C ATOM 666 OG SER A 55 44.771 35.767 27.814 1.00 0.00 O ATOM 0 H SER A 55 42.377 32.821 28.301 1.00 0.00 H new ATOM 0 HA SER A 55 42.346 35.479 29.049 1.00 0.00 H new ATOM 0 HB2 SER A 55 44.371 33.954 28.688 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.078 34.034 26.962 1.00 0.00 H new ATOM 0 HG SER A 55 45.705 35.522 27.646 1.00 0.00 H new ATOM 672 N ASP A 56 41.698 34.841 25.882 1.00 0.00 N ATOM 673 CA ASP A 56 41.328 35.283 24.573 1.00 0.00 C ATOM 674 C ASP A 56 40.290 36.350 24.506 1.00 0.00 C ATOM 675 O ASP A 56 40.542 37.413 23.943 1.00 0.00 O ATOM 676 CB ASP A 56 40.996 34.017 23.766 1.00 0.00 C ATOM 677 CG ASP A 56 40.853 34.297 22.276 1.00 0.00 C ATOM 678 OD1 ASP A 56 39.759 34.760 21.857 1.00 0.00 O ATOM 679 OD2 ASP A 56 41.844 34.068 21.531 1.00 0.00 O ATOM 0 H ASP A 56 41.749 33.823 25.928 1.00 0.00 H new ATOM 0 HA ASP A 56 42.168 35.818 24.129 1.00 0.00 H new ATOM 0 HB2 ASP A 56 41.780 33.276 23.920 1.00 0.00 H new ATOM 0 HB3 ASP A 56 40.069 33.583 24.142 1.00 0.00 H new ATOM 684 N GLY A 57 39.099 36.157 25.100 1.00 0.00 N ATOM 685 CA GLY A 57 38.224 37.252 25.391 1.00 0.00 C ATOM 686 C GLY A 57 37.013 37.395 24.535 1.00 0.00 C ATOM 687 O GLY A 57 36.270 38.367 24.659 1.00 0.00 O ATOM 0 H GLY A 57 38.741 35.244 25.379 1.00 0.00 H new ATOM 0 HA2 GLY A 57 37.898 37.159 26.427 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.800 38.174 25.320 1.00 0.00 H new ATOM 691 N ARG A 58 36.736 36.426 23.646 1.00 0.00 N ATOM 692 CA ARG A 58 35.486 36.325 22.958 1.00 0.00 C ATOM 693 C ARG A 58 34.551 35.481 23.754 1.00 0.00 C ATOM 694 O ARG A 58 33.409 35.861 24.008 1.00 0.00 O ATOM 695 CB ARG A 58 35.647 35.733 21.547 1.00 0.00 C ATOM 696 CG ARG A 58 36.433 36.600 20.562 1.00 0.00 C ATOM 697 CD ARG A 58 35.767 37.957 20.323 1.00 0.00 C ATOM 698 NE ARG A 58 36.435 38.663 19.193 1.00 0.00 N ATOM 699 CZ ARG A 58 36.163 39.978 18.946 1.00 0.00 C ATOM 700 NH1 ARG A 58 35.620 40.785 19.904 1.00 0.00 N ATOM 701 NH2 ARG A 58 36.427 40.498 17.711 1.00 0.00 N ATOM 0 H ARG A 58 37.399 35.692 23.398 1.00 0.00 H new ATOM 0 HA ARG A 58 35.085 37.332 22.846 1.00 0.00 H new ATOM 0 HB2 ARG A 58 36.143 34.766 21.631 1.00 0.00 H new ATOM 0 HB3 ARG A 58 34.656 35.548 21.133 1.00 0.00 H new ATOM 0 HG2 ARG A 58 37.442 36.755 20.943 1.00 0.00 H new ATOM 0 HG3 ARG A 58 36.528 36.072 19.613 1.00 0.00 H new ATOM 0 HD2 ARG A 58 34.709 37.818 20.100 1.00 0.00 H new ATOM 0 HD3 ARG A 58 35.825 38.564 21.227 1.00 0.00 H new ATOM 0 HE ARG A 58 37.098 38.162 18.602 1.00 0.00 H new ATOM 0 HH11 ARG A 58 35.409 40.409 20.828 1.00 0.00 H new ATOM 0 HH12 ARG A 58 35.426 41.764 19.696 1.00 0.00 H new ATOM 0 HH21 ARG A 58 36.824 39.905 16.982 1.00 0.00 H new ATOM 0 HH22 ARG A 58 36.227 41.479 17.517 1.00 0.00 H new ATOM 715 N ILE A 59 35.024 34.298 24.186 1.00 0.00 N ATOM 716 CA ILE A 59 34.246 33.275 24.813 1.00 0.00 C ATOM 717 C ILE A 59 33.989 33.564 26.252 1.00 0.00 C ATOM 718 O ILE A 59 34.888 33.874 27.032 1.00 0.00 O ATOM 719 CB ILE A 59 34.897 31.938 24.621 1.00 0.00 C ATOM 720 CG1 ILE A 59 35.002 31.649 23.114 1.00 0.00 C ATOM 721 CG2 ILE A 59 34.078 30.839 25.317 1.00 0.00 C ATOM 722 CD1 ILE A 59 35.797 30.396 22.748 1.00 0.00 C ATOM 0 H ILE A 59 36.007 34.041 24.092 1.00 0.00 H new ATOM 0 HA ILE A 59 33.269 33.254 24.329 1.00 0.00 H new ATOM 0 HB ILE A 59 35.893 31.950 25.063 1.00 0.00 H new ATOM 0 HG12 ILE A 59 33.995 31.553 22.707 1.00 0.00 H new ATOM 0 HG13 ILE A 59 35.463 32.508 22.626 1.00 0.00 H new ATOM 0 HG21 ILE A 59 34.563 29.874 25.169 1.00 0.00 H new ATOM 0 HG22 ILE A 59 34.015 31.053 26.384 1.00 0.00 H new ATOM 0 HG23 ILE A 59 33.074 30.809 24.893 1.00 0.00 H new ATOM 0 HD11 ILE A 59 35.813 30.279 21.664 1.00 0.00 H new ATOM 0 HD12 ILE A 59 36.818 30.492 23.118 1.00 0.00 H new ATOM 0 HD13 ILE A 59 35.328 29.522 23.200 1.00 0.00 H new ATOM 734 N HIS A 60 32.709 33.489 26.657 1.00 0.00 N ATOM 735 CA HIS A 60 32.231 33.756 27.978 1.00 0.00 C ATOM 736 C HIS A 60 31.304 32.685 28.438 1.00 0.00 C ATOM 737 O HIS A 60 30.618 32.021 27.663 1.00 0.00 O ATOM 738 CB HIS A 60 31.520 35.119 28.029 1.00 0.00 C ATOM 739 CG HIS A 60 31.228 35.674 29.392 1.00 0.00 C ATOM 740 ND1 HIS A 60 30.146 35.326 30.173 1.00 0.00 N ATOM 741 CD2 HIS A 60 31.934 36.576 30.124 1.00 0.00 C ATOM 742 CE1 HIS A 60 30.257 36.020 31.338 1.00 0.00 C ATOM 743 NE2 HIS A 60 31.327 36.793 31.344 1.00 0.00 N ATOM 0 H HIS A 60 31.959 33.224 26.019 1.00 0.00 H new ATOM 0 HA HIS A 60 33.092 33.779 28.646 1.00 0.00 H new ATOM 0 HB2 HIS A 60 32.132 35.843 27.490 1.00 0.00 H new ATOM 0 HB3 HIS A 60 30.578 35.032 27.488 1.00 0.00 H new ATOM 0 HD1 HIS A 60 29.403 34.672 29.924 1.00 0.00 H new ATOM 0 HD2 HIS A 60 32.844 37.056 29.796 1.00 0.00 H new ATOM 0 HE1 HIS A 60 29.556 35.947 32.157 1.00 0.00 H new ATOM 751 N LYS A 61 31.208 32.486 29.765 1.00 0.00 N ATOM 752 CA LYS A 61 30.250 31.655 30.426 1.00 0.00 C ATOM 753 C LYS A 61 28.840 31.931 30.029 1.00 0.00 C ATOM 754 O LYS A 61 28.355 33.060 30.100 1.00 0.00 O ATOM 755 CB LYS A 61 30.471 31.853 31.935 1.00 0.00 C ATOM 756 CG LYS A 61 29.696 30.968 32.913 1.00 0.00 C ATOM 757 CD LYS A 61 28.303 31.483 33.280 1.00 0.00 C ATOM 758 CE LYS A 61 27.900 31.064 34.695 1.00 0.00 C ATOM 759 NZ LYS A 61 26.506 31.451 35.005 1.00 0.00 N ATOM 0 H LYS A 61 31.845 32.938 30.421 1.00 0.00 H new ATOM 0 HA LYS A 61 30.404 30.616 30.133 1.00 0.00 H new ATOM 0 HB2 LYS A 61 31.534 31.714 32.134 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.235 32.891 32.170 1.00 0.00 H new ATOM 0 HG2 LYS A 61 29.597 29.973 32.480 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.281 30.862 33.827 1.00 0.00 H new ATOM 0 HD2 LYS A 61 28.285 32.570 33.203 1.00 0.00 H new ATOM 0 HD3 LYS A 61 27.574 31.101 32.566 1.00 0.00 H new ATOM 0 HE2 LYS A 61 28.010 29.985 34.800 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.574 31.525 35.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 26.269 31.150 35.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 26.407 32.484 34.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 25.860 30.991 34.332 1.00 0.00 H new ATOM 773 N GLY A 62 28.127 30.904 29.536 1.00 0.00 N ATOM 774 CA GLY A 62 26.776 30.998 29.078 1.00 0.00 C ATOM 775 C GLY A 62 26.599 31.259 27.622 1.00 0.00 C ATOM 776 O GLY A 62 25.458 31.360 27.175 1.00 0.00 O ATOM 0 H GLY A 62 28.511 29.963 29.453 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.263 30.069 29.326 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.279 31.794 29.633 1.00 0.00 H new ATOM 780 N ASP A 63 27.674 31.389 26.824 1.00 0.00 N ATOM 781 CA ASP A 63 27.546 31.556 25.410 1.00 0.00 C ATOM 782 C ASP A 63 27.346 30.280 24.666 1.00 0.00 C ATOM 783 O ASP A 63 27.606 29.194 25.180 1.00 0.00 O ATOM 784 CB ASP A 63 28.574 32.537 24.820 1.00 0.00 C ATOM 785 CG ASP A 63 30.008 32.088 24.580 1.00 0.00 C ATOM 786 OD1 ASP A 63 30.263 30.922 24.177 1.00 0.00 O ATOM 787 OD2 ASP A 63 30.886 32.982 24.719 1.00 0.00 O ATOM 0 H ASP A 63 28.637 31.378 27.161 1.00 0.00 H new ATOM 0 HA ASP A 63 26.597 32.066 25.248 1.00 0.00 H new ATOM 0 HB2 ASP A 63 28.179 32.883 23.865 1.00 0.00 H new ATOM 0 HB3 ASP A 63 28.612 33.402 25.482 1.00 0.00 H new ATOM 792 N ARG A 64 26.799 30.343 23.440 1.00 0.00 N ATOM 793 CA ARG A 64 26.497 29.192 22.648 1.00 0.00 C ATOM 794 C ARG A 64 27.524 28.926 21.601 1.00 0.00 C ATOM 795 O ARG A 64 27.874 29.787 20.796 1.00 0.00 O ATOM 796 CB ARG A 64 25.125 29.319 21.964 1.00 0.00 C ATOM 797 CG ARG A 64 24.665 28.045 21.251 1.00 0.00 C ATOM 798 CD ARG A 64 23.411 28.223 20.393 1.00 0.00 C ATOM 799 NE ARG A 64 23.267 26.957 19.620 1.00 0.00 N ATOM 800 CZ ARG A 64 22.463 26.810 18.528 1.00 0.00 C ATOM 801 NH1 ARG A 64 21.664 27.807 18.046 1.00 0.00 N ATOM 802 NH2 ARG A 64 22.491 25.628 17.845 1.00 0.00 N ATOM 0 H ARG A 64 26.559 31.224 22.985 1.00 0.00 H new ATOM 0 HA ARG A 64 26.487 28.356 23.347 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.381 29.593 22.712 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.165 30.134 21.241 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.476 27.683 20.618 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.474 27.273 21.997 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.534 28.404 21.015 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.511 29.079 19.726 1.00 0.00 H new ATOM 0 HE ARG A 64 23.805 26.147 19.928 1.00 0.00 H new ATOM 0 HH11 ARG A 64 21.649 28.717 18.507 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.082 27.642 17.225 1.00 0.00 H new ATOM 0 HH21 ARG A 64 23.106 24.875 18.154 1.00 0.00 H new ATOM 0 HH22 ARG A 64 21.897 25.498 17.026 1.00 0.00 H new ATOM 816 N VAL A 65 28.009 27.673 21.527 1.00 0.00 N ATOM 817 CA VAL A 65 28.936 27.211 20.542 1.00 0.00 C ATOM 818 C VAL A 65 28.205 26.779 19.316 1.00 0.00 C ATOM 819 O VAL A 65 27.289 25.960 19.363 1.00 0.00 O ATOM 820 CB VAL A 65 29.801 26.087 21.032 1.00 0.00 C ATOM 821 CG1 VAL A 65 31.026 25.942 20.114 1.00 0.00 C ATOM 822 CG2 VAL A 65 30.261 26.355 22.475 1.00 0.00 C ATOM 0 H VAL A 65 27.740 26.945 22.189 1.00 0.00 H new ATOM 0 HA VAL A 65 29.595 28.049 20.315 1.00 0.00 H new ATOM 0 HB VAL A 65 29.222 25.163 21.016 1.00 0.00 H new ATOM 0 HG11 VAL A 65 31.654 25.125 20.471 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.696 25.728 19.097 1.00 0.00 H new ATOM 0 HG13 VAL A 65 31.598 26.870 20.122 1.00 0.00 H new ATOM 0 HG21 VAL A 65 30.887 25.531 22.816 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.832 27.283 22.508 1.00 0.00 H new ATOM 0 HG23 VAL A 65 29.390 26.441 23.124 1.00 0.00 H new ATOM 832 N LEU A 66 28.570 27.337 18.148 1.00 0.00 N ATOM 833 CA LEU A 66 27.897 27.117 16.906 1.00 0.00 C ATOM 834 C LEU A 66 28.598 26.104 16.068 1.00 0.00 C ATOM 835 O LEU A 66 27.948 25.241 15.479 1.00 0.00 O ATOM 836 CB LEU A 66 27.734 28.434 16.127 1.00 0.00 C ATOM 837 CG LEU A 66 26.391 29.150 16.346 1.00 0.00 C ATOM 838 CD1 LEU A 66 26.051 29.395 17.827 1.00 0.00 C ATOM 839 CD2 LEU A 66 26.375 30.483 15.580 1.00 0.00 C ATOM 0 H LEU A 66 29.367 27.968 18.066 1.00 0.00 H new ATOM 0 HA LEU A 66 26.907 26.726 17.143 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.541 29.110 16.411 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.850 28.227 15.063 1.00 0.00 H new ATOM 0 HG LEU A 66 25.623 28.479 15.961 1.00 0.00 H new ATOM 0 HD11 LEU A 66 25.090 29.904 17.900 1.00 0.00 H new ATOM 0 HD12 LEU A 66 25.997 28.441 18.351 1.00 0.00 H new ATOM 0 HD13 LEU A 66 26.825 30.014 18.280 1.00 0.00 H new ATOM 0 HD21 LEU A 66 25.420 30.984 15.741 1.00 0.00 H new ATOM 0 HD22 LEU A 66 27.183 31.119 15.940 1.00 0.00 H new ATOM 0 HD23 LEU A 66 26.510 30.292 14.515 1.00 0.00 H new ATOM 851 N ALA A 67 29.939 26.139 15.972 1.00 0.00 N ATOM 852 CA ALA A 67 30.646 25.181 15.181 1.00 0.00 C ATOM 853 C ALA A 67 32.015 24.931 15.714 1.00 0.00 C ATOM 854 O ALA A 67 32.643 25.817 16.290 1.00 0.00 O ATOM 855 CB ALA A 67 30.774 25.620 13.712 1.00 0.00 C ATOM 0 H ALA A 67 30.531 26.826 16.439 1.00 0.00 H new ATOM 0 HA ALA A 67 30.057 24.266 15.232 1.00 0.00 H new ATOM 0 HB1 ALA A 67 31.318 24.860 13.151 1.00 0.00 H new ATOM 0 HB2 ALA A 67 29.780 25.746 13.282 1.00 0.00 H new ATOM 0 HB3 ALA A 67 31.314 26.565 13.661 1.00 0.00 H new ATOM 861 N VAL A 68 32.507 23.695 15.520 1.00 0.00 N ATOM 862 CA VAL A 68 33.864 23.334 15.798 1.00 0.00 C ATOM 863 C VAL A 68 34.495 22.890 14.523 1.00 0.00 C ATOM 864 O VAL A 68 34.182 21.822 13.999 1.00 0.00 O ATOM 865 CB VAL A 68 34.008 22.225 16.797 1.00 0.00 C ATOM 866 CG1 VAL A 68 35.486 22.073 17.198 1.00 0.00 C ATOM 867 CG2 VAL A 68 33.151 22.492 18.046 1.00 0.00 C ATOM 0 H VAL A 68 31.946 22.924 15.159 1.00 0.00 H new ATOM 0 HA VAL A 68 34.344 24.213 16.228 1.00 0.00 H new ATOM 0 HB VAL A 68 33.659 21.301 16.336 1.00 0.00 H new ATOM 0 HG11 VAL A 68 35.585 21.266 17.924 1.00 0.00 H new ATOM 0 HG12 VAL A 68 36.081 21.841 16.314 1.00 0.00 H new ATOM 0 HG13 VAL A 68 35.841 23.004 17.640 1.00 0.00 H new ATOM 0 HG21 VAL A 68 33.274 21.672 18.754 1.00 0.00 H new ATOM 0 HG22 VAL A 68 33.468 23.425 18.512 1.00 0.00 H new ATOM 0 HG23 VAL A 68 32.102 22.568 17.758 1.00 0.00 H new ATOM 877 N ASN A 69 35.424 23.687 13.965 1.00 0.00 N ATOM 878 CA ASN A 69 36.246 23.426 12.825 1.00 0.00 C ATOM 879 C ASN A 69 35.559 22.835 11.643 1.00 0.00 C ATOM 880 O ASN A 69 35.779 21.683 11.272 1.00 0.00 O ATOM 881 CB ASN A 69 37.496 22.641 13.257 1.00 0.00 C ATOM 882 CG ASN A 69 38.566 22.630 12.175 1.00 0.00 C ATOM 883 OD1 ASN A 69 38.578 23.456 11.265 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.500 21.645 12.273 1.00 0.00 N ATOM 0 H ASN A 69 35.617 24.609 14.356 1.00 0.00 H new ATOM 0 HA ASN A 69 36.547 24.401 12.442 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.905 23.082 14.166 1.00 0.00 H new ATOM 0 HB3 ASN A 69 37.215 21.616 13.499 1.00 0.00 H new ATOM 0 HD21 ASN A 69 40.242 21.575 11.577 1.00 0.00 H new ATOM 0 HD22 ASN A 69 39.458 20.977 13.043 1.00 0.00 H new ATOM 891 N GLY A 70 34.670 23.618 11.008 1.00 0.00 N ATOM 892 CA GLY A 70 33.914 23.209 9.865 1.00 0.00 C ATOM 893 C GLY A 70 32.624 22.546 10.210 1.00 0.00 C ATOM 894 O GLY A 70 31.659 22.608 9.449 1.00 0.00 O ATOM 0 H GLY A 70 34.469 24.574 11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 70 33.710 24.081 9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 70 34.516 22.525 9.267 1.00 0.00 H new ATOM 898 N VAL A 71 32.551 21.870 11.370 1.00 0.00 N ATOM 899 CA VAL A 71 31.437 21.053 11.738 1.00 0.00 C ATOM 900 C VAL A 71 30.495 21.857 12.566 1.00 0.00 C ATOM 901 O VAL A 71 30.781 22.230 13.702 1.00 0.00 O ATOM 902 CB VAL A 71 31.837 19.797 12.454 1.00 0.00 C ATOM 903 CG1 VAL A 71 30.612 18.919 12.759 1.00 0.00 C ATOM 904 CG2 VAL A 71 32.843 19.015 11.595 1.00 0.00 C ATOM 0 H VAL A 71 33.289 21.892 12.073 1.00 0.00 H new ATOM 0 HA VAL A 71 30.947 20.729 10.820 1.00 0.00 H new ATOM 0 HB VAL A 71 32.299 20.071 13.402 1.00 0.00 H new ATOM 0 HG11 VAL A 71 30.932 18.016 13.278 1.00 0.00 H new ATOM 0 HG12 VAL A 71 29.916 19.472 13.389 1.00 0.00 H new ATOM 0 HG13 VAL A 71 30.119 18.646 11.826 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.134 18.102 12.115 1.00 0.00 H new ATOM 0 HG22 VAL A 71 32.384 18.758 10.640 1.00 0.00 H new ATOM 0 HG23 VAL A 71 33.726 19.629 11.419 1.00 0.00 H new ATOM 914 N SER A 72 29.306 22.160 12.012 1.00 0.00 N ATOM 915 CA SER A 72 28.275 22.864 12.708 1.00 0.00 C ATOM 916 C SER A 72 27.687 22.008 13.777 1.00 0.00 C ATOM 917 O SER A 72 27.354 20.845 13.554 1.00 0.00 O ATOM 918 CB SER A 72 27.119 23.305 11.794 1.00 0.00 C ATOM 919 OG SER A 72 27.550 24.254 10.829 1.00 0.00 O ATOM 0 H SER A 72 29.056 21.909 11.056 1.00 0.00 H new ATOM 0 HA SER A 72 28.757 23.750 13.121 1.00 0.00 H new ATOM 0 HB2 SER A 72 26.702 22.434 11.288 1.00 0.00 H new ATOM 0 HB3 SER A 72 26.321 23.736 12.398 1.00 0.00 H new ATOM 0 HG SER A 72 26.793 24.512 10.263 1.00 0.00 H new ATOM 925 N LEU A 73 27.513 22.554 14.994 1.00 0.00 N ATOM 926 CA LEU A 73 26.992 21.846 16.122 1.00 0.00 C ATOM 927 C LEU A 73 25.502 21.892 16.142 1.00 0.00 C ATOM 928 O LEU A 73 24.874 22.236 17.142 1.00 0.00 O ATOM 929 CB LEU A 73 27.540 22.390 17.451 1.00 0.00 C ATOM 930 CG LEU A 73 29.057 22.242 17.648 1.00 0.00 C ATOM 931 CD1 LEU A 73 29.456 22.910 18.974 1.00 0.00 C ATOM 932 CD2 LEU A 73 29.522 20.776 17.628 1.00 0.00 C ATOM 0 H LEU A 73 27.744 23.526 15.200 1.00 0.00 H new ATOM 0 HA LEU A 73 27.319 20.812 16.017 1.00 0.00 H new ATOM 0 HB2 LEU A 73 27.282 23.446 17.526 1.00 0.00 H new ATOM 0 HB3 LEU A 73 27.033 21.880 18.270 1.00 0.00 H new ATOM 0 HG LEU A 73 29.551 22.733 16.810 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.531 22.810 19.123 1.00 0.00 H new ATOM 0 HD12 LEU A 73 29.191 23.967 18.943 1.00 0.00 H new ATOM 0 HD13 LEU A 73 28.930 22.427 19.797 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.602 20.735 17.772 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.028 20.227 18.429 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.266 20.326 16.669 1.00 0.00 H new ATOM 944 N GLU A 74 24.886 21.553 14.995 1.00 0.00 N ATOM 945 CA GLU A 74 23.480 21.476 14.750 1.00 0.00 C ATOM 946 C GLU A 74 22.989 20.105 15.066 1.00 0.00 C ATOM 947 O GLU A 74 23.613 19.100 14.728 1.00 0.00 O ATOM 948 CB GLU A 74 23.166 21.897 13.305 1.00 0.00 C ATOM 949 CG GLU A 74 23.959 21.150 12.230 1.00 0.00 C ATOM 950 CD GLU A 74 23.763 21.689 10.821 1.00 0.00 C ATOM 951 OE1 GLU A 74 23.667 22.931 10.628 1.00 0.00 O ATOM 952 OE2 GLU A 74 23.764 20.857 9.875 1.00 0.00 O ATOM 0 H GLU A 74 25.425 21.311 14.164 1.00 0.00 H new ATOM 0 HA GLU A 74 22.952 22.171 15.403 1.00 0.00 H new ATOM 0 HB2 GLU A 74 22.102 21.747 13.121 1.00 0.00 H new ATOM 0 HB3 GLU A 74 23.360 22.965 13.203 1.00 0.00 H new ATOM 0 HG2 GLU A 74 25.019 21.195 12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 74 23.672 20.099 12.248 1.00 0.00 H new ATOM 959 N GLY A 75 21.871 20.006 15.806 1.00 0.00 N ATOM 960 CA GLY A 75 21.261 18.778 16.213 1.00 0.00 C ATOM 961 C GLY A 75 22.017 17.927 17.173 1.00 0.00 C ATOM 962 O GLY A 75 21.613 16.812 17.502 1.00 0.00 O ATOM 0 H GLY A 75 21.365 20.827 16.138 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.294 19.013 16.659 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.065 18.186 15.319 1.00 0.00 H new ATOM 966 N ALA A 76 23.178 18.415 17.644 1.00 0.00 N ATOM 967 CA ALA A 76 24.133 17.684 18.419 1.00 0.00 C ATOM 968 C ALA A 76 23.730 17.382 19.821 1.00 0.00 C ATOM 969 O ALA A 76 23.033 18.146 20.485 1.00 0.00 O ATOM 970 CB ALA A 76 25.464 18.456 18.414 1.00 0.00 C ATOM 0 H ALA A 76 23.467 19.378 17.473 1.00 0.00 H new ATOM 0 HA ALA A 76 24.221 16.708 17.942 1.00 0.00 H new ATOM 0 HB1 ALA A 76 26.203 17.911 19.001 1.00 0.00 H new ATOM 0 HB2 ALA A 76 25.820 18.560 17.389 1.00 0.00 H new ATOM 0 HB3 ALA A 76 25.313 19.444 18.848 1.00 0.00 H new ATOM 976 N THR A 77 24.203 16.241 20.354 1.00 0.00 N ATOM 977 CA THR A 77 24.178 15.946 21.753 1.00 0.00 C ATOM 978 C THR A 77 25.426 16.428 22.410 1.00 0.00 C ATOM 979 O THR A 77 26.363 16.885 21.758 1.00 0.00 O ATOM 980 CB THR A 77 23.953 14.499 22.075 1.00 0.00 C ATOM 981 OG1 THR A 77 25.007 13.662 21.621 1.00 0.00 O ATOM 982 CG2 THR A 77 22.650 14.002 21.427 1.00 0.00 C ATOM 0 H THR A 77 24.617 15.498 19.791 1.00 0.00 H new ATOM 0 HA THR A 77 23.314 16.480 22.149 1.00 0.00 H new ATOM 0 HB THR A 77 23.902 14.439 23.162 1.00 0.00 H new ATOM 0 HG1 THR A 77 24.811 12.731 21.858 1.00 0.00 H new ATOM 0 HG21 THR A 77 22.501 12.950 21.670 1.00 0.00 H new ATOM 0 HG22 THR A 77 21.810 14.584 21.806 1.00 0.00 H new ATOM 0 HG23 THR A 77 22.714 14.119 20.345 1.00 0.00 H new ATOM 990 N HIS A 78 25.499 16.323 23.749 1.00 0.00 N ATOM 991 CA HIS A 78 26.639 16.626 24.559 1.00 0.00 C ATOM 992 C HIS A 78 27.884 15.932 24.125 1.00 0.00 C ATOM 993 O HIS A 78 28.925 16.548 23.901 1.00 0.00 O ATOM 994 CB HIS A 78 26.343 16.233 26.017 1.00 0.00 C ATOM 995 CG HIS A 78 27.349 16.685 27.032 1.00 0.00 C ATOM 996 ND1 HIS A 78 27.739 15.926 28.117 1.00 0.00 N ATOM 997 CD2 HIS A 78 27.938 17.899 27.204 1.00 0.00 C ATOM 998 CE1 HIS A 78 28.552 16.703 28.881 1.00 0.00 C ATOM 999 NE2 HIS A 78 28.680 17.913 28.367 1.00 0.00 N ATOM 0 H HIS A 78 24.705 16.004 24.304 1.00 0.00 H new ATOM 0 HA HIS A 78 26.815 17.697 24.456 1.00 0.00 H new ATOM 0 HB2 HIS A 78 25.370 16.639 26.292 1.00 0.00 H new ATOM 0 HB3 HIS A 78 26.263 15.147 26.072 1.00 0.00 H new ATOM 0 HD2 HIS A 78 27.839 18.734 26.526 1.00 0.00 H new ATOM 0 HE1 HIS A 78 29.031 16.373 29.791 1.00 0.00 H new ATOM 0 HE2 HIS A 78 29.215 18.693 28.749 1.00 0.00 H new ATOM 1007 N LYS A 79 27.804 14.597 23.980 1.00 0.00 N ATOM 1008 CA LYS A 79 28.868 13.728 23.585 1.00 0.00 C ATOM 1009 C LYS A 79 29.512 14.085 22.289 1.00 0.00 C ATOM 1010 O LYS A 79 30.736 14.061 22.162 1.00 0.00 O ATOM 1011 CB LYS A 79 28.374 12.272 23.601 1.00 0.00 C ATOM 1012 CG LYS A 79 29.503 11.240 23.578 1.00 0.00 C ATOM 1013 CD LYS A 79 29.154 9.977 24.371 1.00 0.00 C ATOM 1014 CE LYS A 79 28.015 9.145 23.776 1.00 0.00 C ATOM 1015 NZ LYS A 79 27.661 8.036 24.690 1.00 0.00 N ATOM 0 H LYS A 79 26.935 14.091 24.151 1.00 0.00 H new ATOM 0 HA LYS A 79 29.665 13.853 24.318 1.00 0.00 H new ATOM 0 HB2 LYS A 79 27.767 12.113 24.492 1.00 0.00 H new ATOM 0 HB3 LYS A 79 27.726 12.108 22.740 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.723 10.969 22.545 1.00 0.00 H new ATOM 0 HG3 LYS A 79 30.408 11.686 23.990 1.00 0.00 H new ATOM 0 HD2 LYS A 79 30.044 9.352 24.443 1.00 0.00 H new ATOM 0 HD3 LYS A 79 28.884 10.265 25.387 1.00 0.00 H new ATOM 0 HE2 LYS A 79 27.144 9.777 23.605 1.00 0.00 H new ATOM 0 HE3 LYS A 79 28.314 8.746 22.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 26.887 7.478 24.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 28.490 7.425 24.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 27.356 8.424 25.605 1.00 0.00 H new ATOM 1029 N GLN A 80 28.706 14.491 21.293 1.00 0.00 N ATOM 1030 CA GLN A 80 29.104 14.925 19.989 1.00 0.00 C ATOM 1031 C GLN A 80 30.092 16.040 20.019 1.00 0.00 C ATOM 1032 O GLN A 80 31.210 15.930 19.517 1.00 0.00 O ATOM 1033 CB GLN A 80 27.820 15.346 19.255 1.00 0.00 C ATOM 1034 CG GLN A 80 27.723 15.057 17.755 1.00 0.00 C ATOM 1035 CD GLN A 80 28.600 15.929 16.868 1.00 0.00 C ATOM 1036 OE1 GLN A 80 29.808 15.724 16.754 1.00 0.00 O ATOM 1037 NE2 GLN A 80 27.978 16.894 16.141 1.00 0.00 N ATOM 0 H GLN A 80 27.693 14.518 21.410 1.00 0.00 H new ATOM 0 HA GLN A 80 29.614 14.111 19.474 1.00 0.00 H new ATOM 0 HB2 GLN A 80 26.979 14.855 19.745 1.00 0.00 H new ATOM 0 HB3 GLN A 80 27.690 16.419 19.398 1.00 0.00 H new ATOM 0 HG2 GLN A 80 27.986 14.013 17.585 1.00 0.00 H new ATOM 0 HG3 GLN A 80 26.685 15.179 17.444 1.00 0.00 H new ATOM 0 HE21 GLN A 80 26.976 17.048 16.250 1.00 0.00 H new ATOM 0 HE22 GLN A 80 28.513 17.464 15.486 1.00 0.00 H new ATOM 1046 N ALA A 81 29.725 17.155 20.673 1.00 0.00 N ATOM 1047 CA ALA A 81 30.549 18.314 20.827 1.00 0.00 C ATOM 1048 C ALA A 81 31.741 18.094 21.694 1.00 0.00 C ATOM 1049 O ALA A 81 32.824 18.586 21.380 1.00 0.00 O ATOM 1050 CB ALA A 81 29.697 19.458 21.402 1.00 0.00 C ATOM 0 H ALA A 81 28.811 17.254 21.115 1.00 0.00 H new ATOM 0 HA ALA A 81 30.934 18.564 19.838 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.316 20.347 21.523 1.00 0.00 H new ATOM 0 HB2 ALA A 81 28.876 19.678 20.720 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.295 19.161 22.371 1.00 0.00 H new ATOM 1056 N VAL A 82 31.633 17.312 22.783 1.00 0.00 N ATOM 1057 CA VAL A 82 32.713 17.047 23.682 1.00 0.00 C ATOM 1058 C VAL A 82 33.757 16.213 23.021 1.00 0.00 C ATOM 1059 O VAL A 82 34.938 16.556 23.051 1.00 0.00 O ATOM 1060 CB VAL A 82 32.270 16.410 24.967 1.00 0.00 C ATOM 1061 CG1 VAL A 82 33.474 15.962 25.811 1.00 0.00 C ATOM 1062 CG2 VAL A 82 31.452 17.441 25.764 1.00 0.00 C ATOM 0 H VAL A 82 30.764 16.848 23.047 1.00 0.00 H new ATOM 0 HA VAL A 82 33.138 18.016 23.944 1.00 0.00 H new ATOM 0 HB VAL A 82 31.671 15.530 24.736 1.00 0.00 H new ATOM 0 HG11 VAL A 82 33.121 15.505 26.735 1.00 0.00 H new ATOM 0 HG12 VAL A 82 34.063 15.237 25.249 1.00 0.00 H new ATOM 0 HG13 VAL A 82 34.094 16.827 26.048 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.121 16.996 26.702 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.072 18.313 25.975 1.00 0.00 H new ATOM 0 HG23 VAL A 82 30.583 17.746 25.181 1.00 0.00 H new ATOM 1072 N GLU A 83 33.389 15.110 22.346 1.00 0.00 N ATOM 1073 CA GLU A 83 34.331 14.282 21.658 1.00 0.00 C ATOM 1074 C GLU A 83 34.963 14.967 20.496 1.00 0.00 C ATOM 1075 O GLU A 83 36.099 14.681 20.117 1.00 0.00 O ATOM 1076 CB GLU A 83 33.687 12.959 21.210 1.00 0.00 C ATOM 1077 CG GLU A 83 33.323 12.020 22.361 1.00 0.00 C ATOM 1078 CD GLU A 83 34.523 11.326 22.988 1.00 0.00 C ATOM 1079 OE1 GLU A 83 35.246 10.610 22.244 1.00 0.00 O ATOM 1080 OE2 GLU A 83 34.738 11.446 24.224 1.00 0.00 O ATOM 0 H GLU A 83 32.424 14.788 22.276 1.00 0.00 H new ATOM 0 HA GLU A 83 35.123 14.065 22.374 1.00 0.00 H new ATOM 0 HB2 GLU A 83 32.786 13.181 20.638 1.00 0.00 H new ATOM 0 HB3 GLU A 83 34.372 12.443 20.537 1.00 0.00 H new ATOM 0 HG2 GLU A 83 32.801 12.588 23.130 1.00 0.00 H new ATOM 0 HG3 GLU A 83 32.628 11.264 21.996 1.00 0.00 H new ATOM 1087 N THR A 84 34.268 15.946 19.893 1.00 0.00 N ATOM 1088 CA THR A 84 34.771 16.835 18.892 1.00 0.00 C ATOM 1089 C THR A 84 35.767 17.808 19.422 1.00 0.00 C ATOM 1090 O THR A 84 36.835 17.992 18.841 1.00 0.00 O ATOM 1091 CB THR A 84 33.653 17.552 18.196 1.00 0.00 C ATOM 1092 OG1 THR A 84 32.833 16.625 17.500 1.00 0.00 O ATOM 1093 CG2 THR A 84 34.131 18.549 17.128 1.00 0.00 C ATOM 0 H THR A 84 33.290 16.129 20.119 1.00 0.00 H new ATOM 0 HA THR A 84 35.296 16.211 18.168 1.00 0.00 H new ATOM 0 HB THR A 84 33.126 18.083 18.989 1.00 0.00 H new ATOM 0 HG1 THR A 84 32.067 16.380 18.061 1.00 0.00 H new ATOM 0 HG21 THR A 84 33.268 19.030 16.667 1.00 0.00 H new ATOM 0 HG22 THR A 84 34.762 19.306 17.593 1.00 0.00 H new ATOM 0 HG23 THR A 84 34.702 18.019 16.365 1.00 0.00 H new ATOM 1101 N LEU A 85 35.508 18.464 20.569 1.00 0.00 N ATOM 1102 CA LEU A 85 36.391 19.369 21.236 1.00 0.00 C ATOM 1103 C LEU A 85 37.557 18.726 21.906 1.00 0.00 C ATOM 1104 O LEU A 85 38.594 19.347 22.134 1.00 0.00 O ATOM 1105 CB LEU A 85 35.618 20.193 22.279 1.00 0.00 C ATOM 1106 CG LEU A 85 34.638 21.209 21.667 1.00 0.00 C ATOM 1107 CD1 LEU A 85 33.612 21.668 22.716 1.00 0.00 C ATOM 1108 CD2 LEU A 85 35.370 22.426 21.076 1.00 0.00 C ATOM 0 H LEU A 85 34.622 18.353 21.062 1.00 0.00 H new ATOM 0 HA LEU A 85 36.795 20.001 20.445 1.00 0.00 H new ATOM 0 HB2 LEU A 85 35.064 19.514 22.927 1.00 0.00 H new ATOM 0 HB3 LEU A 85 36.331 20.725 22.909 1.00 0.00 H new ATOM 0 HG LEU A 85 34.117 20.706 20.852 1.00 0.00 H new ATOM 0 HD11 LEU A 85 32.927 22.386 22.265 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.049 20.807 23.076 1.00 0.00 H new ATOM 0 HD13 LEU A 85 34.131 22.137 23.552 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.642 23.119 20.654 1.00 0.00 H new ATOM 0 HD22 LEU A 85 35.935 22.927 21.862 1.00 0.00 H new ATOM 0 HD23 LEU A 85 36.052 22.095 20.293 1.00 0.00 H new ATOM 1120 N ARG A 86 37.463 17.425 22.234 1.00 0.00 N ATOM 1121 CA ARG A 86 38.559 16.590 22.617 1.00 0.00 C ATOM 1122 C ARG A 86 39.476 16.349 21.467 1.00 0.00 C ATOM 1123 O ARG A 86 40.686 16.557 21.546 1.00 0.00 O ATOM 1124 CB ARG A 86 38.027 15.262 23.182 1.00 0.00 C ATOM 1125 CG ARG A 86 37.580 15.333 24.643 1.00 0.00 C ATOM 1126 CD ARG A 86 36.954 14.023 25.123 1.00 0.00 C ATOM 1127 NE ARG A 86 36.601 14.218 26.557 1.00 0.00 N ATOM 1128 CZ ARG A 86 35.568 13.605 27.204 1.00 0.00 C ATOM 1129 NH1 ARG A 86 34.759 12.673 26.621 1.00 0.00 N ATOM 1130 NH2 ARG A 86 35.272 14.007 28.475 1.00 0.00 N ATOM 0 H ARG A 86 36.572 16.929 22.232 1.00 0.00 H new ATOM 0 HA ARG A 86 39.132 17.099 23.392 1.00 0.00 H new ATOM 0 HB2 ARG A 86 37.185 14.933 22.573 1.00 0.00 H new ATOM 0 HB3 ARG A 86 38.804 14.504 23.089 1.00 0.00 H new ATOM 0 HG2 ARG A 86 38.437 15.575 25.271 1.00 0.00 H new ATOM 0 HG3 ARG A 86 36.859 16.142 24.761 1.00 0.00 H new ATOM 0 HD2 ARG A 86 36.068 13.779 24.536 1.00 0.00 H new ATOM 0 HD3 ARG A 86 37.652 13.194 25.005 1.00 0.00 H new ATOM 0 HE ARG A 86 37.178 14.862 27.099 1.00 0.00 H new ATOM 0 HH11 ARG A 86 34.912 12.401 25.650 1.00 0.00 H new ATOM 0 HH12 ARG A 86 34.002 12.249 27.156 1.00 0.00 H new ATOM 0 HH21 ARG A 86 35.818 14.747 28.916 1.00 0.00 H new ATOM 0 HH22 ARG A 86 34.505 13.567 28.984 1.00 0.00 H new ATOM 1144 N ASN A 87 38.930 15.926 20.313 1.00 0.00 N ATOM 1145 CA ASN A 87 39.661 15.531 19.150 1.00 0.00 C ATOM 1146 C ASN A 87 39.961 16.664 18.230 1.00 0.00 C ATOM 1147 O ASN A 87 39.591 16.672 17.057 1.00 0.00 O ATOM 1148 CB ASN A 87 38.838 14.431 18.459 1.00 0.00 C ATOM 1149 CG ASN A 87 39.592 13.718 17.346 1.00 0.00 C ATOM 1150 OD1 ASN A 87 40.783 13.427 17.445 1.00 0.00 O ATOM 1151 ND2 ASN A 87 38.861 13.413 16.240 1.00 0.00 N ATOM 0 H ASN A 87 37.920 15.856 20.185 1.00 0.00 H new ATOM 0 HA ASN A 87 40.642 15.158 19.444 1.00 0.00 H new ATOM 0 HB2 ASN A 87 38.527 13.698 19.204 1.00 0.00 H new ATOM 0 HB3 ASN A 87 37.930 14.872 18.048 1.00 0.00 H new ATOM 0 HD21 ASN A 87 39.299 12.927 15.457 1.00 0.00 H new ATOM 0 HD22 ASN A 87 37.875 13.670 16.193 1.00 0.00 H new ATOM 1158 N THR A 88 40.694 17.680 18.720 1.00 0.00 N ATOM 1159 CA THR A 88 41.219 18.757 17.940 1.00 0.00 C ATOM 1160 C THR A 88 42.599 18.445 17.471 1.00 0.00 C ATOM 1161 O THR A 88 43.140 17.370 17.724 1.00 0.00 O ATOM 1162 CB THR A 88 41.215 20.089 18.628 1.00 0.00 C ATOM 1163 OG1 THR A 88 42.100 20.165 19.735 1.00 0.00 O ATOM 1164 CG2 THR A 88 39.801 20.406 19.142 1.00 0.00 C ATOM 0 H THR A 88 40.932 17.753 19.709 1.00 0.00 H new ATOM 0 HA THR A 88 40.537 18.848 17.094 1.00 0.00 H new ATOM 0 HB THR A 88 41.550 20.807 17.880 1.00 0.00 H new ATOM 0 HG1 THR A 88 43.002 20.381 19.418 1.00 0.00 H new ATOM 0 HG21 THR A 88 39.804 21.375 19.641 1.00 0.00 H new ATOM 0 HG22 THR A 88 39.106 20.432 18.303 1.00 0.00 H new ATOM 0 HG23 THR A 88 39.489 19.636 19.847 1.00 0.00 H new ATOM 1172 N GLY A 89 43.246 19.411 16.795 1.00 0.00 N ATOM 1173 CA GLY A 89 44.668 19.495 16.665 1.00 0.00 C ATOM 1174 C GLY A 89 45.168 20.536 17.608 1.00 0.00 C ATOM 1175 O GLY A 89 44.575 20.783 18.657 1.00 0.00 O ATOM 0 H GLY A 89 42.756 20.168 16.318 1.00 0.00 H new ATOM 0 HA2 GLY A 89 45.126 18.531 16.887 1.00 0.00 H new ATOM 0 HA3 GLY A 89 44.940 19.749 15.641 1.00 0.00 H new ATOM 1179 N GLN A 90 46.292 21.189 17.261 1.00 0.00 N ATOM 1180 CA GLN A 90 46.853 22.288 17.984 1.00 0.00 C ATOM 1181 C GLN A 90 46.058 23.542 17.863 1.00 0.00 C ATOM 1182 O GLN A 90 45.708 24.173 18.859 1.00 0.00 O ATOM 1183 CB GLN A 90 48.306 22.518 17.535 1.00 0.00 C ATOM 1184 CG GLN A 90 49.093 23.504 18.402 1.00 0.00 C ATOM 1185 CD GLN A 90 50.577 23.470 18.068 1.00 0.00 C ATOM 1186 OE1 GLN A 90 51.051 22.707 17.228 1.00 0.00 O ATOM 1187 NE2 GLN A 90 51.370 24.315 18.779 1.00 0.00 N ATOM 0 H GLN A 90 46.836 20.938 16.436 1.00 0.00 H new ATOM 0 HA GLN A 90 46.830 22.020 19.040 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.827 21.561 17.532 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.302 22.881 16.507 1.00 0.00 H new ATOM 0 HG2 GLN A 90 48.707 24.512 18.252 1.00 0.00 H new ATOM 0 HG3 GLN A 90 48.949 23.261 19.455 1.00 0.00 H new ATOM 0 HE21 GLN A 90 50.957 24.940 19.471 1.00 0.00 H new ATOM 0 HE22 GLN A 90 52.378 24.324 18.620 1.00 0.00 H new ATOM 1196 N VAL A 91 45.760 23.956 16.619 1.00 0.00 N ATOM 1197 CA VAL A 91 45.062 25.167 16.318 1.00 0.00 C ATOM 1198 C VAL A 91 43.655 24.877 15.922 1.00 0.00 C ATOM 1199 O VAL A 91 43.376 24.160 14.962 1.00 0.00 O ATOM 1200 CB VAL A 91 45.722 25.983 15.246 1.00 0.00 C ATOM 1201 CG1 VAL A 91 45.060 27.368 15.145 1.00 0.00 C ATOM 1202 CG2 VAL A 91 47.221 26.139 15.551 1.00 0.00 C ATOM 0 H VAL A 91 46.016 23.424 15.787 1.00 0.00 H new ATOM 0 HA VAL A 91 45.081 25.759 17.233 1.00 0.00 H new ATOM 0 HB VAL A 91 45.604 25.468 14.293 1.00 0.00 H new ATOM 0 HG11 VAL A 91 45.549 27.949 14.363 1.00 0.00 H new ATOM 0 HG12 VAL A 91 44.004 27.250 14.902 1.00 0.00 H new ATOM 0 HG13 VAL A 91 45.157 27.888 16.098 1.00 0.00 H new ATOM 0 HG21 VAL A 91 47.692 26.733 14.767 1.00 0.00 H new ATOM 0 HG22 VAL A 91 47.347 26.640 16.511 1.00 0.00 H new ATOM 0 HG23 VAL A 91 47.688 25.155 15.591 1.00 0.00 H new ATOM 1212 N VAL A 92 42.697 25.437 16.682 1.00 0.00 N ATOM 1213 CA VAL A 92 41.293 25.167 16.656 1.00 0.00 C ATOM 1214 C VAL A 92 40.569 26.332 16.076 1.00 0.00 C ATOM 1215 O VAL A 92 40.890 27.486 16.358 1.00 0.00 O ATOM 1216 CB VAL A 92 40.839 24.936 18.067 1.00 0.00 C ATOM 1217 CG1 VAL A 92 39.336 24.616 18.137 1.00 0.00 C ATOM 1218 CG2 VAL A 92 41.611 23.721 18.610 1.00 0.00 C ATOM 0 H VAL A 92 42.929 26.145 17.379 1.00 0.00 H new ATOM 0 HA VAL A 92 41.086 24.289 16.044 1.00 0.00 H new ATOM 0 HB VAL A 92 41.024 25.840 18.648 1.00 0.00 H new ATOM 0 HG11 VAL A 92 39.046 24.455 19.175 1.00 0.00 H new ATOM 0 HG12 VAL A 92 38.767 25.450 17.726 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.128 23.716 17.559 1.00 0.00 H new ATOM 0 HG21 VAL A 92 41.304 23.525 19.637 1.00 0.00 H new ATOM 0 HG22 VAL A 92 41.396 22.848 17.994 1.00 0.00 H new ATOM 0 HG23 VAL A 92 42.681 23.928 18.584 1.00 0.00 H new ATOM 1228 N HIS A 93 39.547 26.100 15.235 1.00 0.00 N ATOM 1229 CA HIS A 93 38.708 27.135 14.716 1.00 0.00 C ATOM 1230 C HIS A 93 37.317 26.941 15.218 1.00 0.00 C ATOM 1231 O HIS A 93 36.655 25.958 14.892 1.00 0.00 O ATOM 1232 CB HIS A 93 38.723 27.146 13.178 1.00 0.00 C ATOM 1233 CG HIS A 93 38.092 28.347 12.539 1.00 0.00 C ATOM 1234 ND1 HIS A 93 37.982 28.499 11.172 1.00 0.00 N ATOM 1235 CD2 HIS A 93 37.585 29.490 13.077 1.00 0.00 C ATOM 1236 CE1 HIS A 93 37.402 29.710 10.954 1.00 0.00 C ATOM 1237 NE2 HIS A 93 37.155 30.345 12.084 1.00 0.00 N ATOM 0 H HIS A 93 39.297 25.167 14.906 1.00 0.00 H new ATOM 0 HA HIS A 93 39.090 28.097 15.057 1.00 0.00 H new ATOM 0 HB2 HIS A 93 39.757 27.077 12.841 1.00 0.00 H new ATOM 0 HB3 HIS A 93 38.211 26.253 12.820 1.00 0.00 H new ATOM 0 HD1 HIS A 93 38.279 27.831 10.461 1.00 0.00 H new ATOM 0 HD2 HIS A 93 37.527 29.698 14.135 1.00 0.00 H new ATOM 0 HE1 HIS A 93 37.172 30.104 9.975 1.00 0.00 H new ATOM 1245 N LEU A 94 36.820 27.857 16.068 1.00 0.00 N ATOM 1246 CA LEU A 94 35.488 27.863 16.590 1.00 0.00 C ATOM 1247 C LEU A 94 34.633 28.928 15.994 1.00 0.00 C ATOM 1248 O LEU A 94 35.112 29.963 15.533 1.00 0.00 O ATOM 1249 CB LEU A 94 35.445 28.134 18.104 1.00 0.00 C ATOM 1250 CG LEU A 94 36.439 27.306 18.936 1.00 0.00 C ATOM 1251 CD1 LEU A 94 36.469 27.809 20.389 1.00 0.00 C ATOM 1252 CD2 LEU A 94 36.086 25.810 18.869 1.00 0.00 C ATOM 0 H LEU A 94 37.380 28.638 16.410 1.00 0.00 H new ATOM 0 HA LEU A 94 35.118 26.868 16.344 1.00 0.00 H new ATOM 0 HB2 LEU A 94 35.643 29.192 18.275 1.00 0.00 H new ATOM 0 HB3 LEU A 94 34.436 27.936 18.466 1.00 0.00 H new ATOM 0 HG LEU A 94 37.437 27.431 18.516 1.00 0.00 H new ATOM 0 HD11 LEU A 94 37.177 27.214 20.966 1.00 0.00 H new ATOM 0 HD12 LEU A 94 36.776 28.855 20.406 1.00 0.00 H new ATOM 0 HD13 LEU A 94 35.475 27.716 20.827 1.00 0.00 H new ATOM 0 HD21 LEU A 94 36.800 25.241 19.464 1.00 0.00 H new ATOM 0 HD22 LEU A 94 35.081 25.655 19.263 1.00 0.00 H new ATOM 0 HD23 LEU A 94 36.126 25.473 17.833 1.00 0.00 H new ATOM 1264 N LEU A 95 33.304 28.737 16.075 1.00 0.00 N ATOM 1265 CA LEU A 95 32.335 29.766 15.866 1.00 0.00 C ATOM 1266 C LEU A 95 31.443 29.795 17.059 1.00 0.00 C ATOM 1267 O LEU A 95 30.948 28.752 17.483 1.00 0.00 O ATOM 1268 CB LEU A 95 31.507 29.476 14.602 1.00 0.00 C ATOM 1269 CG LEU A 95 30.386 30.477 14.273 1.00 0.00 C ATOM 1270 CD1 LEU A 95 30.929 31.885 13.974 1.00 0.00 C ATOM 1271 CD2 LEU A 95 29.557 29.972 13.080 1.00 0.00 C ATOM 0 H LEU A 95 32.889 27.831 16.294 1.00 0.00 H new ATOM 0 HA LEU A 95 32.831 30.727 15.730 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.187 29.433 13.751 1.00 0.00 H new ATOM 0 HB3 LEU A 95 31.062 28.486 14.705 1.00 0.00 H new ATOM 0 HG LEU A 95 29.752 30.551 15.157 1.00 0.00 H new ATOM 0 HD11 LEU A 95 30.099 32.555 13.748 1.00 0.00 H new ATOM 0 HD12 LEU A 95 31.470 32.259 14.843 1.00 0.00 H new ATOM 0 HD13 LEU A 95 31.603 31.841 13.119 1.00 0.00 H new ATOM 0 HD21 LEU A 95 28.767 30.689 12.857 1.00 0.00 H new ATOM 0 HD22 LEU A 95 30.203 29.861 12.209 1.00 0.00 H new ATOM 0 HD23 LEU A 95 29.113 29.008 13.328 1.00 0.00 H new ATOM 1283 N LEU A 96 31.195 30.974 17.656 1.00 0.00 N ATOM 1284 CA LEU A 96 30.262 31.105 18.733 1.00 0.00 C ATOM 1285 C LEU A 96 29.360 32.280 18.573 1.00 0.00 C ATOM 1286 O LEU A 96 29.643 33.220 17.833 1.00 0.00 O ATOM 1287 CB LEU A 96 30.882 31.006 20.137 1.00 0.00 C ATOM 1288 CG LEU A 96 31.760 32.121 20.730 1.00 0.00 C ATOM 1289 CD1 LEU A 96 33.010 32.464 19.903 1.00 0.00 C ATOM 1290 CD2 LEU A 96 30.967 33.361 21.172 1.00 0.00 C ATOM 0 H LEU A 96 31.647 31.848 17.389 1.00 0.00 H new ATOM 0 HA LEU A 96 29.632 30.219 18.659 1.00 0.00 H new ATOM 0 HB2 LEU A 96 30.057 30.855 20.833 1.00 0.00 H new ATOM 0 HB3 LEU A 96 31.481 30.096 20.150 1.00 0.00 H new ATOM 0 HG LEU A 96 32.155 31.682 21.646 1.00 0.00 H new ATOM 0 HD11 LEU A 96 33.567 33.260 20.398 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.642 31.580 19.815 1.00 0.00 H new ATOM 0 HD13 LEU A 96 32.709 32.796 18.909 1.00 0.00 H new ATOM 0 HD21 LEU A 96 31.652 34.105 21.580 1.00 0.00 H new ATOM 0 HD22 LEU A 96 30.443 33.782 20.314 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.243 33.077 21.936 1.00 0.00 H new ATOM 1302 N GLU A 97 28.209 32.242 19.269 1.00 0.00 N ATOM 1303 CA GLU A 97 27.240 33.289 19.353 1.00 0.00 C ATOM 1304 C GLU A 97 27.413 33.988 20.658 1.00 0.00 C ATOM 1305 O GLU A 97 27.554 33.344 21.696 1.00 0.00 O ATOM 1306 CB GLU A 97 25.818 32.707 19.289 1.00 0.00 C ATOM 1307 CG GLU A 97 24.675 33.703 19.493 1.00 0.00 C ATOM 1308 CD GLU A 97 23.327 33.017 19.653 1.00 0.00 C ATOM 1309 OE1 GLU A 97 23.198 32.114 20.522 1.00 0.00 O ATOM 1310 OE2 GLU A 97 22.367 33.378 18.921 1.00 0.00 O ATOM 0 H GLU A 97 27.938 31.421 19.810 1.00 0.00 H new ATOM 0 HA GLU A 97 27.380 33.979 18.521 1.00 0.00 H new ATOM 0 HB2 GLU A 97 25.687 32.227 18.319 1.00 0.00 H new ATOM 0 HB3 GLU A 97 25.732 31.926 20.045 1.00 0.00 H new ATOM 0 HG2 GLU A 97 24.878 34.308 20.376 1.00 0.00 H new ATOM 0 HG3 GLU A 97 24.634 34.384 18.643 1.00 0.00 H new ATOM 1317 N LYS A 98 27.356 35.331 20.688 1.00 0.00 N ATOM 1318 CA LYS A 98 27.669 36.137 21.828 1.00 0.00 C ATOM 1319 C LYS A 98 26.574 36.086 22.837 1.00 0.00 C ATOM 1320 O LYS A 98 25.449 36.527 22.609 1.00 0.00 O ATOM 1321 CB LYS A 98 27.920 37.587 21.382 1.00 0.00 C ATOM 1322 CG LYS A 98 28.032 38.660 22.465 1.00 0.00 C ATOM 1323 CD LYS A 98 29.140 38.430 23.495 1.00 0.00 C ATOM 1324 CE LYS A 98 28.636 38.514 24.937 1.00 0.00 C ATOM 1325 NZ LYS A 98 29.594 37.906 25.888 1.00 0.00 N ATOM 0 H LYS A 98 27.078 35.883 19.877 1.00 0.00 H new ATOM 0 HA LYS A 98 28.571 35.743 22.295 1.00 0.00 H new ATOM 0 HB2 LYS A 98 28.841 37.603 20.799 1.00 0.00 H new ATOM 0 HB3 LYS A 98 27.112 37.874 20.709 1.00 0.00 H new ATOM 0 HG2 LYS A 98 28.199 39.624 21.984 1.00 0.00 H new ATOM 0 HG3 LYS A 98 27.078 38.726 22.989 1.00 0.00 H new ATOM 0 HD2 LYS A 98 29.587 37.450 23.328 1.00 0.00 H new ATOM 0 HD3 LYS A 98 29.927 39.169 23.346 1.00 0.00 H new ATOM 0 HE2 LYS A 98 28.470 39.558 25.204 1.00 0.00 H new ATOM 0 HE3 LYS A 98 27.674 38.008 25.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 29.219 37.982 26.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 29.733 36.904 25.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 30.505 38.405 25.830 1.00 0.00 H new