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+ -177:sc= 1.09 (180deg=0) USER MOD Set 1.2: A 88 THR OG1 : rot -85:sc= 2.25 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.186 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.14 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-2.1!) USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0553) USER MOD Single : A 69 ASN : amide:sc= 0.149 K(o=0.15,f=-4.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0406 USER MOD Single : A 78 HIS : no HD1:sc= -0.0557 X(o=-0.056,f=-0.0056) USER MOD Single : A 79 LYS NZ :NH3+ -112:sc= 1.14 (180deg=-0.905) USER MOD Single : A 80 GLN : amide:sc=-0.00273 X(o=-0.0027,f=0) USER MOD Single : A 84 THR OG1 : rot 86:sc= 0.865 USER MOD Single : A 87 ASN : amide:sc= -0.0517 K(o=-0.052,f=-0.67) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 93 HIS : no HD1:sc= -0.0591 X(o=-0.059,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 26.032 38.724 19.155 1.00 0.00 N ATOM 45 CA ASP A 12 27.001 38.838 18.111 1.00 0.00 C ATOM 46 C ASP A 12 27.673 37.531 17.870 1.00 0.00 C ATOM 47 O ASP A 12 27.665 36.645 18.723 1.00 0.00 O ATOM 48 CB ASP A 12 27.985 39.969 18.456 1.00 0.00 C ATOM 49 CG ASP A 12 28.717 40.547 17.253 1.00 0.00 C ATOM 50 OD1 ASP A 12 28.431 40.138 16.096 1.00 0.00 O ATOM 51 OD2 ASP A 12 29.564 41.456 17.460 1.00 0.00 O ATOM 0 HA ASP A 12 26.513 39.101 17.173 1.00 0.00 H new ATOM 0 HB2 ASP A 12 27.440 40.770 18.955 1.00 0.00 H new ATOM 0 HB3 ASP A 12 28.720 39.592 19.168 1.00 0.00 H new ATOM 56 N THR A 13 28.251 37.334 16.670 1.00 0.00 N ATOM 57 CA THR A 13 28.845 36.111 16.227 1.00 0.00 C ATOM 58 C THR A 13 30.283 36.353 15.922 1.00 0.00 C ATOM 59 O THR A 13 30.647 37.341 15.285 1.00 0.00 O ATOM 60 CB THR A 13 28.223 35.483 15.015 1.00 0.00 C ATOM 61 OG1 THR A 13 27.723 36.442 14.095 1.00 0.00 O ATOM 62 CG2 THR A 13 27.041 34.603 15.455 1.00 0.00 C ATOM 0 H THR A 13 28.306 38.073 15.969 1.00 0.00 H new ATOM 0 HA THR A 13 28.687 35.411 17.048 1.00 0.00 H new ATOM 0 HB THR A 13 29.004 34.905 14.521 1.00 0.00 H new ATOM 0 HG1 THR A 13 27.330 35.982 13.324 1.00 0.00 H new ATOM 0 HG21 THR A 13 26.584 34.143 14.579 1.00 0.00 H new ATOM 0 HG22 THR A 13 27.398 33.824 16.129 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.302 35.217 15.970 1.00 0.00 H new ATOM 70 N PHE A 14 31.163 35.422 16.328 1.00 0.00 N ATOM 71 CA PHE A 14 32.573 35.604 16.176 1.00 0.00 C ATOM 72 C PHE A 14 33.221 34.294 15.883 1.00 0.00 C ATOM 73 O PHE A 14 32.877 33.245 16.423 1.00 0.00 O ATOM 74 CB PHE A 14 33.316 36.228 17.370 1.00 0.00 C ATOM 75 CG PHE A 14 32.450 36.825 18.426 1.00 0.00 C ATOM 76 CD1 PHE A 14 32.082 38.149 18.372 1.00 0.00 C ATOM 77 CD2 PHE A 14 32.095 36.076 19.522 1.00 0.00 C ATOM 78 CE1 PHE A 14 31.413 38.728 19.426 1.00 0.00 C ATOM 79 CE2 PHE A 14 31.399 36.634 20.569 1.00 0.00 C ATOM 80 CZ PHE A 14 31.087 37.973 20.528 1.00 0.00 C ATOM 0 H PHE A 14 30.897 34.539 16.764 1.00 0.00 H new ATOM 0 HA PHE A 14 32.655 36.320 15.358 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.940 35.461 17.828 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.986 37.001 16.994 1.00 0.00 H new ATOM 0 HD1 PHE A 14 32.319 38.737 17.498 1.00 0.00 H new ATOM 0 HD2 PHE A 14 32.367 35.032 19.562 1.00 0.00 H new ATOM 0 HE1 PHE A 14 31.145 39.773 19.388 1.00 0.00 H new ATOM 0 HE2 PHE A 14 31.101 36.029 21.412 1.00 0.00 H new ATOM 0 HZ PHE A 14 30.584 38.433 21.365 1.00 0.00 H new ATOM 90 N GLU A 15 34.213 34.340 14.976 1.00 0.00 N ATOM 91 CA GLU A 15 34.994 33.233 14.519 1.00 0.00 C ATOM 92 C GLU A 15 36.300 33.263 15.235 1.00 0.00 C ATOM 93 O GLU A 15 37.111 34.175 15.077 1.00 0.00 O ATOM 94 CB GLU A 15 35.206 33.305 12.997 1.00 0.00 C ATOM 95 CG GLU A 15 33.907 33.211 12.196 1.00 0.00 C ATOM 96 CD GLU A 15 34.110 33.616 10.743 1.00 0.00 C ATOM 97 OE1 GLU A 15 34.472 34.797 10.499 1.00 0.00 O ATOM 98 OE2 GLU A 15 33.891 32.778 9.828 1.00 0.00 O ATOM 0 H GLU A 15 34.488 35.215 14.530 1.00 0.00 H new ATOM 0 HA GLU A 15 34.474 32.298 14.729 1.00 0.00 H new ATOM 0 HB2 GLU A 15 35.708 34.241 12.752 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.871 32.497 12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 15 33.526 32.191 12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.152 33.853 12.650 1.00 0.00 H new ATOM 105 N VAL A 16 36.548 32.270 16.106 1.00 0.00 N ATOM 106 CA VAL A 16 37.681 32.232 16.980 1.00 0.00 C ATOM 107 C VAL A 16 38.673 31.262 16.437 1.00 0.00 C ATOM 108 O VAL A 16 38.532 30.049 16.586 1.00 0.00 O ATOM 109 CB VAL A 16 37.262 31.913 18.384 1.00 0.00 C ATOM 110 CG1 VAL A 16 38.416 31.443 19.284 1.00 0.00 C ATOM 111 CG2 VAL A 16 36.612 33.167 18.994 1.00 0.00 C ATOM 0 H VAL A 16 35.936 31.461 16.206 1.00 0.00 H new ATOM 0 HA VAL A 16 38.155 33.212 17.025 1.00 0.00 H new ATOM 0 HB VAL A 16 36.561 31.080 18.331 1.00 0.00 H new ATOM 0 HG11 VAL A 16 38.035 31.231 20.283 1.00 0.00 H new ATOM 0 HG12 VAL A 16 38.859 30.539 18.866 1.00 0.00 H new ATOM 0 HG13 VAL A 16 39.173 32.225 19.342 1.00 0.00 H new ATOM 0 HG21 VAL A 16 36.300 32.954 20.017 1.00 0.00 H new ATOM 0 HG22 VAL A 16 37.332 33.985 18.997 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.743 33.451 18.401 1.00 0.00 H new ATOM 121 N GLU A 17 39.741 31.763 15.789 1.00 0.00 N ATOM 122 CA GLU A 17 40.886 30.973 15.460 1.00 0.00 C ATOM 123 C GLU A 17 41.853 31.077 16.589 1.00 0.00 C ATOM 124 O GLU A 17 42.528 32.088 16.771 1.00 0.00 O ATOM 125 CB GLU A 17 41.554 31.396 14.140 1.00 0.00 C ATOM 126 CG GLU A 17 40.739 30.973 12.916 1.00 0.00 C ATOM 127 CD GLU A 17 41.408 31.354 11.604 1.00 0.00 C ATOM 128 OE1 GLU A 17 42.454 30.742 11.263 1.00 0.00 O ATOM 129 OE2 GLU A 17 40.892 32.257 10.892 1.00 0.00 O ATOM 0 H GLU A 17 39.810 32.735 15.488 1.00 0.00 H new ATOM 0 HA GLU A 17 40.562 29.943 15.311 1.00 0.00 H new ATOM 0 HB2 GLU A 17 41.684 32.478 14.131 1.00 0.00 H new ATOM 0 HB3 GLU A 17 42.549 30.955 14.081 1.00 0.00 H new ATOM 0 HG2 GLU A 17 40.587 29.894 12.941 1.00 0.00 H new ATOM 0 HG3 GLU A 17 39.753 31.435 12.964 1.00 0.00 H new ATOM 136 N LEU A 18 41.909 30.034 17.438 1.00 0.00 N ATOM 137 CA LEU A 18 42.660 30.014 18.654 1.00 0.00 C ATOM 138 C LEU A 18 43.667 28.917 18.613 1.00 0.00 C ATOM 139 O LEU A 18 43.388 27.797 18.186 1.00 0.00 O ATOM 140 CB LEU A 18 41.703 29.765 19.831 1.00 0.00 C ATOM 141 CG LEU A 18 42.323 29.723 21.238 1.00 0.00 C ATOM 142 CD1 LEU A 18 42.778 31.109 21.727 1.00 0.00 C ATOM 143 CD2 LEU A 18 41.302 29.125 22.220 1.00 0.00 C ATOM 0 H LEU A 18 41.406 29.163 17.267 1.00 0.00 H new ATOM 0 HA LEU A 18 43.170 30.970 18.776 1.00 0.00 H new ATOM 0 HB2 LEU A 18 40.942 30.545 19.819 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.192 28.818 19.658 1.00 0.00 H new ATOM 0 HG LEU A 18 43.215 29.099 21.190 1.00 0.00 H new ATOM 0 HD11 LEU A 18 43.208 31.020 22.725 1.00 0.00 H new ATOM 0 HD12 LEU A 18 43.528 31.508 21.044 1.00 0.00 H new ATOM 0 HD13 LEU A 18 41.922 31.783 21.760 1.00 0.00 H new ATOM 0 HD21 LEU A 18 41.735 29.092 23.220 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.405 29.744 22.233 1.00 0.00 H new ATOM 0 HD23 LEU A 18 41.042 28.115 21.904 1.00 0.00 H new ATOM 155 N ALA A 19 44.900 29.175 19.085 1.00 0.00 N ATOM 156 CA ALA A 19 45.924 28.188 19.234 1.00 0.00 C ATOM 157 C ALA A 19 46.013 27.776 20.663 1.00 0.00 C ATOM 158 O ALA A 19 46.204 28.590 21.565 1.00 0.00 O ATOM 159 CB ALA A 19 47.278 28.707 18.723 1.00 0.00 C ATOM 0 H ALA A 19 45.195 30.108 19.374 1.00 0.00 H new ATOM 0 HA ALA A 19 45.664 27.319 18.629 1.00 0.00 H new ATOM 0 HB1 ALA A 19 48.036 27.934 18.850 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.194 28.963 17.667 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.565 29.593 19.289 1.00 0.00 H new ATOM 165 N LYS A 20 45.844 26.472 20.950 1.00 0.00 N ATOM 166 CA LYS A 20 45.962 25.957 22.279 1.00 0.00 C ATOM 167 C LYS A 20 47.356 25.928 22.807 1.00 0.00 C ATOM 168 O LYS A 20 48.338 26.144 22.101 1.00 0.00 O ATOM 169 CB LYS A 20 45.344 24.552 22.371 1.00 0.00 C ATOM 170 CG LYS A 20 46.049 23.507 21.505 1.00 0.00 C ATOM 171 CD LYS A 20 45.597 22.063 21.732 1.00 0.00 C ATOM 172 CE LYS A 20 44.145 21.795 21.332 1.00 0.00 C ATOM 173 NZ LYS A 20 43.930 20.355 21.068 1.00 0.00 N ATOM 0 H LYS A 20 45.622 25.765 20.249 1.00 0.00 H new ATOM 0 HA LYS A 20 45.412 26.657 22.908 1.00 0.00 H new ATOM 0 HB2 LYS A 20 45.366 24.223 23.410 1.00 0.00 H new ATOM 0 HB3 LYS A 20 44.296 24.607 22.076 1.00 0.00 H new ATOM 0 HG2 LYS A 20 45.891 23.760 20.457 1.00 0.00 H new ATOM 0 HG3 LYS A 20 47.121 23.569 21.689 1.00 0.00 H new ATOM 0 HD2 LYS A 20 46.248 21.396 21.166 1.00 0.00 H new ATOM 0 HD3 LYS A 20 45.725 21.815 22.786 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.477 22.127 22.127 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.895 22.374 20.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.952 20.203 20.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.589 20.035 20.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.098 19.813 21.940 1.00 0.00 H new ATOM 187 N THR A 21 47.500 25.620 24.109 1.00 0.00 N ATOM 188 CA THR A 21 48.762 25.335 24.718 1.00 0.00 C ATOM 189 C THR A 21 48.935 23.856 24.765 1.00 0.00 C ATOM 190 O THR A 21 48.443 23.138 23.896 1.00 0.00 O ATOM 191 CB THR A 21 48.952 26.071 26.011 1.00 0.00 C ATOM 192 OG1 THR A 21 50.263 25.941 26.540 1.00 0.00 O ATOM 193 CG2 THR A 21 47.948 25.662 27.102 1.00 0.00 C ATOM 0 H THR A 21 46.714 25.568 24.757 1.00 0.00 H new ATOM 0 HA THR A 21 49.584 25.724 24.117 1.00 0.00 H new ATOM 0 HB THR A 21 48.775 27.112 25.741 1.00 0.00 H new ATOM 0 HG1 THR A 21 50.328 26.442 27.380 1.00 0.00 H new ATOM 0 HG21 THR A 21 48.144 26.234 28.009 1.00 0.00 H new ATOM 0 HG22 THR A 21 46.934 25.864 26.757 1.00 0.00 H new ATOM 0 HG23 THR A 21 48.054 24.598 27.314 1.00 0.00 H new ATOM 201 N ASP A 22 49.652 23.289 25.751 1.00 0.00 N ATOM 202 CA ASP A 22 49.955 21.896 25.856 1.00 0.00 C ATOM 203 C ASP A 22 48.793 21.092 26.329 1.00 0.00 C ATOM 204 O ASP A 22 48.709 20.658 27.477 1.00 0.00 O ATOM 205 CB ASP A 22 51.204 21.758 26.742 1.00 0.00 C ATOM 206 CG ASP A 22 51.885 20.404 26.606 1.00 0.00 C ATOM 207 OD1 ASP A 22 52.079 19.936 25.453 1.00 0.00 O ATOM 208 OD2 ASP A 22 52.275 19.828 27.657 1.00 0.00 O ATOM 0 H ASP A 22 50.043 23.835 26.519 1.00 0.00 H new ATOM 0 HA ASP A 22 50.170 21.482 24.871 1.00 0.00 H new ATOM 0 HB2 ASP A 22 51.914 22.543 26.483 1.00 0.00 H new ATOM 0 HB3 ASP A 22 50.923 21.914 27.783 1.00 0.00 H new ATOM 213 N GLY A 23 47.805 20.871 25.444 1.00 0.00 N ATOM 214 CA GLY A 23 46.663 20.039 25.664 1.00 0.00 C ATOM 215 C GLY A 23 45.458 20.732 26.201 1.00 0.00 C ATOM 216 O GLY A 23 44.402 20.117 26.347 1.00 0.00 O ATOM 0 H GLY A 23 47.804 21.300 24.518 1.00 0.00 H new ATOM 0 HA2 GLY A 23 46.396 19.562 24.721 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.942 19.244 26.356 1.00 0.00 H new ATOM 220 N SER A 24 45.555 22.033 26.527 1.00 0.00 N ATOM 221 CA SER A 24 44.506 22.758 27.174 1.00 0.00 C ATOM 222 C SER A 24 44.063 23.933 26.373 1.00 0.00 C ATOM 223 O SER A 24 44.874 24.676 25.823 1.00 0.00 O ATOM 224 CB SER A 24 44.903 23.191 28.595 1.00 0.00 C ATOM 225 OG SER A 24 43.769 23.469 29.404 1.00 0.00 O ATOM 0 H SER A 24 46.384 22.596 26.336 1.00 0.00 H new ATOM 0 HA SER A 24 43.662 22.073 27.254 1.00 0.00 H new ATOM 0 HB2 SER A 24 45.496 22.404 29.061 1.00 0.00 H new ATOM 0 HB3 SER A 24 45.535 24.077 28.540 1.00 0.00 H new ATOM 0 HG SER A 24 44.064 23.739 30.299 1.00 0.00 H new ATOM 231 N LEU A 25 42.737 24.132 26.267 1.00 0.00 N ATOM 232 CA LEU A 25 42.105 25.211 25.574 1.00 0.00 C ATOM 233 C LEU A 25 41.597 26.218 26.548 1.00 0.00 C ATOM 234 O LEU A 25 41.937 27.396 26.474 1.00 0.00 O ATOM 235 CB LEU A 25 40.951 24.693 24.698 1.00 0.00 C ATOM 236 CG LEU A 25 41.412 24.179 23.323 1.00 0.00 C ATOM 237 CD1 LEU A 25 40.388 23.205 22.715 1.00 0.00 C ATOM 238 CD2 LEU A 25 41.653 25.347 22.352 1.00 0.00 C ATOM 0 H LEU A 25 42.063 23.497 26.694 1.00 0.00 H new ATOM 0 HA LEU A 25 42.843 25.684 24.927 1.00 0.00 H new ATOM 0 HB2 LEU A 25 40.437 23.889 25.225 1.00 0.00 H new ATOM 0 HB3 LEU A 25 40.226 25.494 24.554 1.00 0.00 H new ATOM 0 HG LEU A 25 42.350 23.645 23.477 1.00 0.00 H new ATOM 0 HD11 LEU A 25 40.745 22.861 21.744 1.00 0.00 H new ATOM 0 HD12 LEU A 25 40.261 22.350 23.379 1.00 0.00 H new ATOM 0 HD13 LEU A 25 39.432 23.713 22.591 1.00 0.00 H new ATOM 0 HD21 LEU A 25 41.978 24.957 21.387 1.00 0.00 H new ATOM 0 HD22 LEU A 25 40.728 25.910 22.223 1.00 0.00 H new ATOM 0 HD23 LEU A 25 42.424 26.003 22.756 1.00 0.00 H new ATOM 250 N GLY A 26 40.761 25.807 27.519 1.00 0.00 N ATOM 251 CA GLY A 26 40.278 26.618 28.594 1.00 0.00 C ATOM 252 C GLY A 26 38.800 26.525 28.761 1.00 0.00 C ATOM 253 O GLY A 26 38.169 27.492 29.186 1.00 0.00 O ATOM 0 H GLY A 26 40.402 24.853 27.555 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.765 26.314 29.521 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.555 27.657 28.414 1.00 0.00 H new ATOM 257 N ILE A 27 38.185 25.378 28.422 1.00 0.00 N ATOM 258 CA ILE A 27 36.775 25.277 28.210 1.00 0.00 C ATOM 259 C ILE A 27 36.126 24.214 29.029 1.00 0.00 C ATOM 260 O ILE A 27 36.668 23.127 29.222 1.00 0.00 O ATOM 261 CB ILE A 27 36.516 25.038 26.753 1.00 0.00 C ATOM 262 CG1 ILE A 27 37.269 23.817 26.199 1.00 0.00 C ATOM 263 CG2 ILE A 27 36.855 26.327 25.983 1.00 0.00 C ATOM 264 CD1 ILE A 27 37.131 23.657 24.686 1.00 0.00 C ATOM 0 H ILE A 27 38.682 24.497 28.292 1.00 0.00 H new ATOM 0 HA ILE A 27 36.331 26.219 28.532 1.00 0.00 H new ATOM 0 HB ILE A 27 35.462 24.796 26.620 1.00 0.00 H new ATOM 0 HG12 ILE A 27 38.325 23.904 26.453 1.00 0.00 H new ATOM 0 HG13 ILE A 27 36.897 22.917 26.688 1.00 0.00 H new ATOM 0 HG21 ILE A 27 36.673 26.174 24.919 1.00 0.00 H new ATOM 0 HG22 ILE A 27 36.228 27.142 26.345 1.00 0.00 H new ATOM 0 HG23 ILE A 27 37.904 26.579 26.139 1.00 0.00 H new ATOM 0 HD11 ILE A 27 37.686 22.777 24.361 1.00 0.00 H new ATOM 0 HD12 ILE A 27 36.079 23.539 24.427 1.00 0.00 H new ATOM 0 HD13 ILE A 27 37.530 24.541 24.189 1.00 0.00 H new ATOM 276 N SER A 28 34.912 24.493 29.536 1.00 0.00 N ATOM 277 CA SER A 28 33.962 23.506 29.946 1.00 0.00 C ATOM 278 C SER A 28 32.646 23.808 29.316 1.00 0.00 C ATOM 279 O SER A 28 32.220 24.961 29.261 1.00 0.00 O ATOM 280 CB SER A 28 33.703 23.425 31.461 1.00 0.00 C ATOM 281 OG SER A 28 34.742 22.721 32.124 1.00 0.00 O ATOM 0 H SER A 28 34.578 25.448 29.666 1.00 0.00 H new ATOM 0 HA SER A 28 34.399 22.557 29.636 1.00 0.00 H new ATOM 0 HB2 SER A 28 33.622 24.431 31.873 1.00 0.00 H new ATOM 0 HB3 SER A 28 32.750 22.928 31.643 1.00 0.00 H new ATOM 0 HG SER A 28 34.552 22.686 33.085 1.00 0.00 H new ATOM 287 N VAL A 29 31.934 22.780 28.823 1.00 0.00 N ATOM 288 CA VAL A 29 30.712 22.906 28.094 1.00 0.00 C ATOM 289 C VAL A 29 29.568 22.242 28.780 1.00 0.00 C ATOM 290 O VAL A 29 29.721 21.526 29.770 1.00 0.00 O ATOM 291 CB VAL A 29 30.829 22.408 26.683 1.00 0.00 C ATOM 292 CG1 VAL A 29 31.712 23.381 25.884 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.402 20.982 26.637 1.00 0.00 C ATOM 0 H VAL A 29 32.227 21.810 28.940 1.00 0.00 H new ATOM 0 HA VAL A 29 30.507 23.976 28.056 1.00 0.00 H new ATOM 0 HB VAL A 29 29.836 22.366 26.236 1.00 0.00 H new ATOM 0 HG11 VAL A 29 31.804 23.029 24.857 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.258 24.372 25.889 1.00 0.00 H new ATOM 0 HG13 VAL A 29 32.701 23.433 26.340 1.00 0.00 H new ATOM 0 HG21 VAL A 29 31.474 20.652 25.601 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.393 20.973 27.090 1.00 0.00 H new ATOM 0 HG23 VAL A 29 30.746 20.308 27.188 1.00 0.00 H new ATOM 303 N THR A 30 28.338 22.483 28.292 1.00 0.00 N ATOM 304 CA THR A 30 27.133 21.834 28.705 1.00 0.00 C ATOM 305 C THR A 30 26.262 21.759 27.499 1.00 0.00 C ATOM 306 O THR A 30 26.561 22.392 26.488 1.00 0.00 O ATOM 307 CB THR A 30 26.429 22.556 29.816 1.00 0.00 C ATOM 308 OG1 THR A 30 25.360 21.813 30.380 1.00 0.00 O ATOM 309 CG2 THR A 30 25.887 23.934 29.397 1.00 0.00 C ATOM 0 H THR A 30 28.176 23.176 27.562 1.00 0.00 H new ATOM 0 HA THR A 30 27.368 20.847 29.104 1.00 0.00 H new ATOM 0 HB THR A 30 27.207 22.690 30.568 1.00 0.00 H new ATOM 0 HG1 THR A 30 24.943 22.334 31.098 1.00 0.00 H new ATOM 0 HG21 THR A 30 25.390 24.403 30.246 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.712 24.565 29.067 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.175 23.812 28.581 1.00 0.00 H new ATOM 317 N GLY A 31 25.141 21.014 27.534 1.00 0.00 N ATOM 318 CA GLY A 31 24.112 21.138 26.551 1.00 0.00 C ATOM 319 C GLY A 31 23.597 19.855 25.995 1.00 0.00 C ATOM 320 O GLY A 31 23.526 18.822 26.658 1.00 0.00 O ATOM 0 H GLY A 31 24.948 20.318 28.254 1.00 0.00 H new ATOM 0 HA2 GLY A 31 23.277 21.684 26.991 1.00 0.00 H new ATOM 0 HA3 GLY A 31 24.491 21.744 25.728 1.00 0.00 H new ATOM 324 N GLY A 32 23.191 19.899 24.713 1.00 0.00 N ATOM 325 CA GLY A 32 22.695 18.774 23.983 1.00 0.00 C ATOM 326 C GLY A 32 21.217 18.807 23.796 1.00 0.00 C ATOM 327 O GLY A 32 20.511 19.655 24.338 1.00 0.00 O ATOM 0 H GLY A 32 23.209 20.757 24.161 1.00 0.00 H new ATOM 0 HA2 GLY A 32 23.179 18.740 23.007 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.969 17.858 24.507 1.00 0.00 H new ATOM 331 N VAL A 33 20.711 17.863 22.980 1.00 0.00 N ATOM 332 CA VAL A 33 19.352 17.806 22.542 1.00 0.00 C ATOM 333 C VAL A 33 18.485 16.996 23.444 1.00 0.00 C ATOM 334 O VAL A 33 17.424 17.435 23.884 1.00 0.00 O ATOM 335 CB VAL A 33 19.245 17.252 21.153 1.00 0.00 C ATOM 336 CG1 VAL A 33 17.843 17.522 20.583 1.00 0.00 C ATOM 337 CG2 VAL A 33 20.307 17.900 20.248 1.00 0.00 C ATOM 0 H VAL A 33 21.280 17.102 22.608 1.00 0.00 H new ATOM 0 HA VAL A 33 19.000 18.837 22.559 1.00 0.00 H new ATOM 0 HB VAL A 33 19.412 16.176 21.189 1.00 0.00 H new ATOM 0 HG11 VAL A 33 17.776 17.116 19.574 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.095 17.046 21.216 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.663 18.597 20.554 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.224 17.493 19.240 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.150 18.978 20.218 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.300 17.688 20.644 1.00 0.00 H new ATOM 450 N GLY A 41 21.282 23.218 21.869 1.00 0.00 N ATOM 451 CA GLY A 41 22.651 23.533 21.603 1.00 0.00 C ATOM 452 C GLY A 41 23.617 23.216 22.694 1.00 0.00 C ATOM 453 O GLY A 41 23.259 22.775 23.785 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.959 22.998 20.705 1.00 0.00 H new ATOM 0 HA3 GLY A 41 22.722 24.597 21.380 1.00 0.00 H new ATOM 457 N ILE A 42 24.904 23.454 22.386 1.00 0.00 N ATOM 458 CA ILE A 42 26.030 23.334 23.258 1.00 0.00 C ATOM 459 C ILE A 42 26.371 24.698 23.753 1.00 0.00 C ATOM 460 O ILE A 42 26.491 25.639 22.970 1.00 0.00 O ATOM 461 CB ILE A 42 27.199 22.746 22.526 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.838 21.428 21.818 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.416 22.561 23.447 1.00 0.00 C ATOM 464 CD1 ILE A 42 26.361 20.309 22.742 1.00 0.00 C ATOM 0 H ILE A 42 25.177 23.755 21.450 1.00 0.00 H new ATOM 0 HA ILE A 42 25.790 22.674 24.091 1.00 0.00 H new ATOM 0 HB ILE A 42 27.473 23.465 21.754 1.00 0.00 H new ATOM 0 HG12 ILE A 42 26.058 21.629 21.083 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.711 21.077 21.268 1.00 0.00 H new ATOM 0 HG21 ILE A 42 29.241 22.133 22.878 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.717 23.528 23.851 1.00 0.00 H new ATOM 0 HG23 ILE A 42 28.154 21.891 24.266 1.00 0.00 H new ATOM 0 HD11 ILE A 42 26.131 19.422 22.151 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.145 20.072 23.461 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.466 20.633 23.274 1.00 0.00 H new ATOM 476 N TYR A 43 26.516 24.879 25.078 1.00 0.00 N ATOM 477 CA TYR A 43 26.723 26.165 25.669 1.00 0.00 C ATOM 478 C TYR A 43 27.937 26.127 26.531 1.00 0.00 C ATOM 479 O TYR A 43 28.365 25.076 27.004 1.00 0.00 O ATOM 480 CB TYR A 43 25.528 26.612 26.528 1.00 0.00 C ATOM 481 CG TYR A 43 24.342 26.983 25.705 1.00 0.00 C ATOM 482 CD1 TYR A 43 23.476 26.022 25.240 1.00 0.00 C ATOM 483 CD2 TYR A 43 24.071 28.305 25.446 1.00 0.00 C ATOM 484 CE1 TYR A 43 22.354 26.369 24.524 1.00 0.00 C ATOM 485 CE2 TYR A 43 22.940 28.668 24.752 1.00 0.00 C ATOM 486 CZ TYR A 43 22.079 27.698 24.295 1.00 0.00 C ATOM 487 OH TYR A 43 20.915 28.065 23.587 1.00 0.00 O ATOM 0 H TYR A 43 26.489 24.115 25.754 1.00 0.00 H new ATOM 0 HA TYR A 43 26.843 26.879 24.854 1.00 0.00 H new ATOM 0 HB2 TYR A 43 25.255 25.808 27.212 1.00 0.00 H new ATOM 0 HB3 TYR A 43 25.823 27.464 27.140 1.00 0.00 H new ATOM 0 HD1 TYR A 43 23.679 24.980 25.440 1.00 0.00 H new ATOM 0 HD2 TYR A 43 24.754 29.068 25.791 1.00 0.00 H new ATOM 0 HE1 TYR A 43 21.693 25.604 24.144 1.00 0.00 H new ATOM 0 HE2 TYR A 43 22.729 29.711 24.567 1.00 0.00 H new ATOM 0 HH TYR A 43 20.871 29.041 23.514 1.00 0.00 H new ATOM 497 N VAL A 44 28.538 27.302 26.795 1.00 0.00 N ATOM 498 CA VAL A 44 29.644 27.453 27.688 1.00 0.00 C ATOM 499 C VAL A 44 29.206 27.386 29.112 1.00 0.00 C ATOM 500 O VAL A 44 28.449 28.226 29.592 1.00 0.00 O ATOM 501 CB VAL A 44 30.398 28.727 27.450 1.00 0.00 C ATOM 502 CG1 VAL A 44 31.516 28.925 28.488 1.00 0.00 C ATOM 503 CG2 VAL A 44 30.994 28.696 26.032 1.00 0.00 C ATOM 0 H VAL A 44 28.241 28.180 26.369 1.00 0.00 H new ATOM 0 HA VAL A 44 30.317 26.620 27.484 1.00 0.00 H new ATOM 0 HB VAL A 44 29.707 29.564 27.550 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.041 29.858 28.284 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.082 28.964 29.487 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.218 28.094 28.429 1.00 0.00 H new ATOM 0 HG21 VAL A 44 31.545 29.619 25.849 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.670 27.846 25.940 1.00 0.00 H new ATOM 0 HG23 VAL A 44 30.190 28.602 25.302 1.00 0.00 H new ATOM 513 N LYS A 45 29.694 26.377 29.856 1.00 0.00 N ATOM 514 CA LYS A 45 29.388 26.156 31.236 1.00 0.00 C ATOM 515 C LYS A 45 30.333 26.901 32.114 1.00 0.00 C ATOM 516 O LYS A 45 29.931 27.577 33.061 1.00 0.00 O ATOM 517 CB LYS A 45 29.439 24.646 31.522 1.00 0.00 C ATOM 518 CG LYS A 45 29.249 24.212 32.977 1.00 0.00 C ATOM 519 CD LYS A 45 28.841 22.739 33.052 1.00 0.00 C ATOM 520 CE LYS A 45 29.274 21.959 34.294 1.00 0.00 C ATOM 521 NZ LYS A 45 28.807 22.595 35.546 1.00 0.00 N ATOM 0 H LYS A 45 30.334 25.680 29.476 1.00 0.00 H new ATOM 0 HA LYS A 45 28.386 26.528 31.451 1.00 0.00 H new ATOM 0 HB2 LYS A 45 28.671 24.160 30.920 1.00 0.00 H new ATOM 0 HB3 LYS A 45 30.401 24.267 31.178 1.00 0.00 H new ATOM 0 HG2 LYS A 45 30.174 24.367 33.532 1.00 0.00 H new ATOM 0 HG3 LYS A 45 28.486 24.831 33.450 1.00 0.00 H new ATOM 0 HD2 LYS A 45 27.755 22.685 32.980 1.00 0.00 H new ATOM 0 HD3 LYS A 45 29.244 22.231 32.176 1.00 0.00 H new ATOM 0 HE2 LYS A 45 28.883 20.943 34.237 1.00 0.00 H new ATOM 0 HE3 LYS A 45 30.361 21.882 34.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 29.124 22.032 36.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 29.200 23.555 35.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 27.768 22.646 35.543 1.00 0.00 H new ATOM 535 N ALA A 46 31.640 26.841 31.805 1.00 0.00 N ATOM 536 CA ALA A 46 32.613 27.631 32.494 1.00 0.00 C ATOM 537 C ALA A 46 33.748 27.915 31.572 1.00 0.00 C ATOM 538 O ALA A 46 33.908 27.266 30.539 1.00 0.00 O ATOM 539 CB ALA A 46 33.120 26.927 33.764 1.00 0.00 C ATOM 0 H ALA A 46 32.025 26.242 31.074 1.00 0.00 H new ATOM 0 HA ALA A 46 32.145 28.564 32.807 1.00 0.00 H new ATOM 0 HB1 ALA A 46 33.858 27.558 34.260 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.283 26.747 34.439 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.579 25.976 33.494 1.00 0.00 H new ATOM 545 N ILE A 47 34.573 28.917 31.925 1.00 0.00 N ATOM 546 CA ILE A 47 35.809 29.191 31.258 1.00 0.00 C ATOM 547 C ILE A 47 36.900 29.015 32.258 1.00 0.00 C ATOM 548 O ILE A 47 36.872 29.561 33.360 1.00 0.00 O ATOM 549 CB ILE A 47 35.780 30.487 30.503 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.465 30.350 29.133 1.00 0.00 C ATOM 551 CG2 ILE A 47 36.357 31.680 31.283 1.00 0.00 C ATOM 552 CD1 ILE A 47 35.655 29.535 28.125 1.00 0.00 C ATOM 0 H ILE A 47 34.375 29.555 32.696 1.00 0.00 H new ATOM 0 HA ILE A 47 36.001 28.485 30.450 1.00 0.00 H new ATOM 0 HB ILE A 47 34.724 30.710 30.353 1.00 0.00 H new ATOM 0 HG12 ILE A 47 36.644 31.344 28.724 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.440 29.881 29.268 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.300 32.578 30.669 1.00 0.00 H new ATOM 0 HG22 ILE A 47 35.783 31.829 32.198 1.00 0.00 H new ATOM 0 HG23 ILE A 47 37.398 31.480 31.537 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.198 29.480 27.182 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.498 28.529 28.513 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.690 30.015 27.960 1.00 0.00 H new ATOM 564 N ILE A 48 37.843 28.106 31.954 1.00 0.00 N ATOM 565 CA ILE A 48 38.806 27.558 32.857 1.00 0.00 C ATOM 566 C ILE A 48 39.935 28.481 33.163 1.00 0.00 C ATOM 567 O ILE A 48 40.606 28.870 32.208 1.00 0.00 O ATOM 568 CB ILE A 48 39.351 26.252 32.359 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.201 25.288 32.021 1.00 0.00 C ATOM 570 CG2 ILE A 48 40.330 25.612 33.356 1.00 0.00 C ATOM 571 CD1 ILE A 48 37.319 24.893 33.204 1.00 0.00 C ATOM 0 H ILE A 48 37.938 27.728 31.011 1.00 0.00 H new ATOM 0 HA ILE A 48 38.258 27.396 33.785 1.00 0.00 H new ATOM 0 HB ILE A 48 39.917 26.458 31.450 1.00 0.00 H new ATOM 0 HG12 ILE A 48 37.574 25.749 31.258 1.00 0.00 H new ATOM 0 HG13 ILE A 48 38.623 24.383 31.584 1.00 0.00 H new ATOM 0 HG21 ILE A 48 40.697 24.669 32.951 1.00 0.00 H new ATOM 0 HG22 ILE A 48 41.170 26.286 33.525 1.00 0.00 H new ATOM 0 HG23 ILE A 48 39.818 25.426 34.300 1.00 0.00 H new ATOM 0 HD11 ILE A 48 36.538 24.212 32.864 1.00 0.00 H new ATOM 0 HD12 ILE A 48 37.927 24.399 33.962 1.00 0.00 H new ATOM 0 HD13 ILE A 48 36.862 25.786 33.631 1.00 0.00 H new ATOM 583 N PRO A 49 40.258 28.836 34.370 1.00 0.00 N ATOM 584 CA PRO A 49 41.329 29.749 34.651 1.00 0.00 C ATOM 585 C PRO A 49 42.667 29.316 34.161 1.00 0.00 C ATOM 586 O PRO A 49 43.093 28.204 34.469 1.00 0.00 O ATOM 587 CB PRO A 49 41.331 29.897 36.170 1.00 0.00 C ATOM 588 CG PRO A 49 39.847 29.720 36.526 1.00 0.00 C ATOM 589 CD PRO A 49 39.418 28.622 35.539 1.00 0.00 C ATOM 0 HA PRO A 49 41.156 30.685 34.120 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.956 29.144 36.650 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.709 30.870 36.482 1.00 0.00 H new ATOM 0 HG2 PRO A 49 39.709 29.415 37.563 1.00 0.00 H new ATOM 0 HG3 PRO A 49 39.280 30.640 36.386 1.00 0.00 H new ATOM 0 HD2 PRO A 49 39.569 27.628 35.960 1.00 0.00 H new ATOM 0 HD3 PRO A 49 38.360 28.704 35.289 1.00 0.00 H new ATOM 597 N LYS A 50 43.329 30.210 33.403 1.00 0.00 N ATOM 598 CA LYS A 50 44.597 30.066 32.759 1.00 0.00 C ATOM 599 C LYS A 50 44.501 29.348 31.457 1.00 0.00 C ATOM 600 O LYS A 50 45.498 28.860 30.925 1.00 0.00 O ATOM 601 CB LYS A 50 45.748 29.553 33.643 1.00 0.00 C ATOM 602 CG LYS A 50 46.173 30.484 34.780 1.00 0.00 C ATOM 603 CD LYS A 50 45.242 30.509 35.994 1.00 0.00 C ATOM 604 CE LYS A 50 45.862 31.170 37.227 1.00 0.00 C ATOM 605 NZ LYS A 50 44.871 31.243 38.325 1.00 0.00 N ATOM 0 H LYS A 50 42.929 31.131 33.225 1.00 0.00 H new ATOM 0 HA LYS A 50 44.890 31.093 32.542 1.00 0.00 H new ATOM 0 HB2 LYS A 50 45.454 28.595 34.072 1.00 0.00 H new ATOM 0 HB3 LYS A 50 46.614 29.365 33.008 1.00 0.00 H new ATOM 0 HG2 LYS A 50 47.168 30.191 35.113 1.00 0.00 H new ATOM 0 HG3 LYS A 50 46.254 31.497 34.386 1.00 0.00 H new ATOM 0 HD2 LYS A 50 44.327 31.039 35.729 1.00 0.00 H new ATOM 0 HD3 LYS A 50 44.957 29.487 36.244 1.00 0.00 H new ATOM 0 HE2 LYS A 50 46.734 30.603 37.552 1.00 0.00 H new ATOM 0 HE3 LYS A 50 46.210 32.172 36.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 45.306 31.694 39.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 44.051 31.803 38.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 44.559 30.283 38.576 1.00 0.00 H new ATOM 619 N GLY A 51 43.317 29.316 30.821 1.00 0.00 N ATOM 620 CA GLY A 51 43.187 28.780 29.502 1.00 0.00 C ATOM 621 C GLY A 51 43.522 29.753 28.424 1.00 0.00 C ATOM 622 O GLY A 51 43.398 30.968 28.576 1.00 0.00 O ATOM 0 H GLY A 51 42.446 29.663 31.222 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.836 27.909 29.408 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.164 28.432 29.360 1.00 0.00 H new ATOM 626 N ALA A 52 43.960 29.255 27.254 1.00 0.00 N ATOM 627 CA ALA A 52 44.079 29.966 26.019 1.00 0.00 C ATOM 628 C ALA A 52 42.861 30.740 25.649 1.00 0.00 C ATOM 629 O ALA A 52 42.896 31.950 25.427 1.00 0.00 O ATOM 630 CB ALA A 52 44.459 28.988 24.895 1.00 0.00 C ATOM 0 H ALA A 52 44.253 28.282 27.166 1.00 0.00 H new ATOM 0 HA ALA A 52 44.867 30.706 26.159 1.00 0.00 H new ATOM 0 HB1 ALA A 52 44.549 29.532 23.955 1.00 0.00 H new ATOM 0 HB2 ALA A 52 45.411 28.513 25.132 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.687 28.225 24.800 1.00 0.00 H new ATOM 636 N ALA A 53 41.722 30.026 25.602 1.00 0.00 N ATOM 637 CA ALA A 53 40.402 30.507 25.339 1.00 0.00 C ATOM 638 C ALA A 53 39.942 31.484 26.366 1.00 0.00 C ATOM 639 O ALA A 53 39.549 32.600 26.035 1.00 0.00 O ATOM 640 CB ALA A 53 39.417 29.327 25.280 1.00 0.00 C ATOM 0 H ALA A 53 41.729 29.019 25.763 1.00 0.00 H new ATOM 0 HA ALA A 53 40.431 31.022 24.379 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.413 29.701 25.079 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.715 28.643 24.485 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.424 28.799 26.234 1.00 0.00 H new ATOM 646 N GLU A 54 40.007 31.065 27.643 1.00 0.00 N ATOM 647 CA GLU A 54 39.679 31.834 28.804 1.00 0.00 C ATOM 648 C GLU A 54 40.119 33.257 28.817 1.00 0.00 C ATOM 649 O GLU A 54 39.324 34.191 28.914 1.00 0.00 O ATOM 650 CB GLU A 54 40.273 31.161 30.053 1.00 0.00 C ATOM 651 CG GLU A 54 39.904 31.828 31.380 1.00 0.00 C ATOM 652 CD GLU A 54 41.013 32.483 32.190 1.00 0.00 C ATOM 653 OE1 GLU A 54 42.228 32.335 31.888 1.00 0.00 O ATOM 654 OE2 GLU A 54 40.661 33.161 33.192 1.00 0.00 O ATOM 0 H GLU A 54 40.311 30.121 27.880 1.00 0.00 H new ATOM 0 HA GLU A 54 38.589 31.858 28.793 1.00 0.00 H new ATOM 0 HB2 GLU A 54 39.943 30.123 30.080 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.359 31.148 29.959 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.151 32.588 31.172 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.432 31.075 32.011 1.00 0.00 H new ATOM 661 N SER A 55 41.445 33.458 28.709 1.00 0.00 N ATOM 662 CA SER A 55 42.067 34.741 28.822 1.00 0.00 C ATOM 663 C SER A 55 41.783 35.645 27.672 1.00 0.00 C ATOM 664 O SER A 55 41.721 36.863 27.836 1.00 0.00 O ATOM 665 CB SER A 55 43.583 34.572 29.015 1.00 0.00 C ATOM 666 OG SER A 55 44.229 35.792 29.347 1.00 0.00 O ATOM 0 H SER A 55 42.107 32.701 28.537 1.00 0.00 H new ATOM 0 HA SER A 55 41.632 35.224 29.697 1.00 0.00 H new ATOM 0 HB2 SER A 55 43.766 33.842 29.803 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.020 34.171 28.101 1.00 0.00 H new ATOM 0 HG SER A 55 45.189 35.633 29.461 1.00 0.00 H new ATOM 672 N ASP A 56 41.566 35.102 26.460 1.00 0.00 N ATOM 673 CA ASP A 56 41.439 35.849 25.248 1.00 0.00 C ATOM 674 C ASP A 56 40.227 36.713 25.209 1.00 0.00 C ATOM 675 O ASP A 56 40.314 37.920 24.988 1.00 0.00 O ATOM 676 CB ASP A 56 41.512 34.873 24.061 1.00 0.00 C ATOM 677 CG ASP A 56 41.859 35.598 22.769 1.00 0.00 C ATOM 678 OD1 ASP A 56 43.007 36.108 22.658 1.00 0.00 O ATOM 679 OD2 ASP A 56 40.988 35.690 21.863 1.00 0.00 O ATOM 0 H ASP A 56 41.475 34.096 26.320 1.00 0.00 H new ATOM 0 HA ASP A 56 42.268 36.554 25.187 1.00 0.00 H new ATOM 0 HB2 ASP A 56 42.261 34.107 24.263 1.00 0.00 H new ATOM 0 HB3 ASP A 56 40.556 34.362 23.948 1.00 0.00 H new ATOM 684 N GLY A 57 39.034 36.147 25.468 1.00 0.00 N ATOM 685 CA GLY A 57 37.896 36.903 25.888 1.00 0.00 C ATOM 686 C GLY A 57 36.863 37.159 24.846 1.00 0.00 C ATOM 687 O GLY A 57 36.037 38.060 24.991 1.00 0.00 O ATOM 0 H GLY A 57 38.857 35.146 25.384 1.00 0.00 H new ATOM 0 HA2 GLY A 57 37.423 36.380 26.719 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.243 37.863 26.271 1.00 0.00 H new ATOM 691 N ARG A 58 36.813 36.347 23.775 1.00 0.00 N ATOM 692 CA ARG A 58 35.693 36.294 22.887 1.00 0.00 C ATOM 693 C ARG A 58 34.671 35.356 23.429 1.00 0.00 C ATOM 694 O ARG A 58 33.471 35.597 23.311 1.00 0.00 O ATOM 695 CB ARG A 58 36.085 35.814 21.479 1.00 0.00 C ATOM 696 CG ARG A 58 36.670 36.886 20.557 1.00 0.00 C ATOM 697 CD ARG A 58 35.681 37.988 20.173 1.00 0.00 C ATOM 698 NE ARG A 58 36.193 38.615 18.923 1.00 0.00 N ATOM 699 CZ ARG A 58 35.536 39.596 18.237 1.00 0.00 C ATOM 700 NH1 ARG A 58 34.495 40.309 18.756 1.00 0.00 N ATOM 701 NH2 ARG A 58 35.955 39.863 16.965 1.00 0.00 N ATOM 0 H ARG A 58 37.569 35.712 23.520 1.00 0.00 H new ATOM 0 HA ARG A 58 35.299 37.307 22.809 1.00 0.00 H new ATOM 0 HB2 ARG A 58 36.812 35.008 21.578 1.00 0.00 H new ATOM 0 HB3 ARG A 58 35.203 35.390 21.000 1.00 0.00 H new ATOM 0 HG2 ARG A 58 37.531 37.340 21.047 1.00 0.00 H new ATOM 0 HG3 ARG A 58 37.036 36.408 19.648 1.00 0.00 H new ATOM 0 HD2 ARG A 58 34.684 37.575 20.017 1.00 0.00 H new ATOM 0 HD3 ARG A 58 35.599 38.727 20.970 1.00 0.00 H new ATOM 0 HE ARG A 58 37.089 38.292 18.557 1.00 0.00 H new ATOM 0 HH11 ARG A 58 34.170 40.120 19.704 1.00 0.00 H new ATOM 0 HH12 ARG A 58 34.042 41.031 18.196 1.00 0.00 H new ATOM 0 HH21 ARG A 58 36.731 39.337 16.563 1.00 0.00 H new ATOM 0 HH22 ARG A 58 35.492 40.588 16.417 1.00 0.00 H new ATOM 715 N ILE A 59 35.123 34.252 24.050 1.00 0.00 N ATOM 716 CA ILE A 59 34.313 33.198 24.576 1.00 0.00 C ATOM 717 C ILE A 59 34.182 33.373 26.050 1.00 0.00 C ATOM 718 O ILE A 59 35.176 33.456 26.770 1.00 0.00 O ATOM 719 CB ILE A 59 34.945 31.865 24.300 1.00 0.00 C ATOM 720 CG1 ILE A 59 35.256 31.706 22.803 1.00 0.00 C ATOM 721 CG2 ILE A 59 34.027 30.732 24.791 1.00 0.00 C ATOM 722 CD1 ILE A 59 36.169 30.523 22.486 1.00 0.00 C ATOM 0 H ILE A 59 36.119 34.086 24.193 1.00 0.00 H new ATOM 0 HA ILE A 59 33.333 33.234 24.100 1.00 0.00 H new ATOM 0 HB ILE A 59 35.888 31.809 24.844 1.00 0.00 H new ATOM 0 HG12 ILE A 59 34.320 31.587 22.257 1.00 0.00 H new ATOM 0 HG13 ILE A 59 35.723 32.621 22.439 1.00 0.00 H new ATOM 0 HG21 ILE A 59 34.495 29.769 24.586 1.00 0.00 H new ATOM 0 HG22 ILE A 59 33.864 30.835 25.864 1.00 0.00 H new ATOM 0 HG23 ILE A 59 33.070 30.788 24.272 1.00 0.00 H new ATOM 0 HD11 ILE A 59 36.343 30.476 21.411 1.00 0.00 H new ATOM 0 HD12 ILE A 59 37.121 30.649 23.002 1.00 0.00 H new ATOM 0 HD13 ILE A 59 35.696 29.599 22.818 1.00 0.00 H new ATOM 734 N HIS A 60 32.947 33.438 26.577 1.00 0.00 N ATOM 735 CA HIS A 60 32.725 33.538 27.986 1.00 0.00 C ATOM 736 C HIS A 60 31.539 32.752 28.428 1.00 0.00 C ATOM 737 O HIS A 60 30.917 31.997 27.682 1.00 0.00 O ATOM 738 CB HIS A 60 32.616 35.011 28.414 1.00 0.00 C ATOM 739 CG HIS A 60 32.979 35.244 29.850 1.00 0.00 C ATOM 740 ND1 HIS A 60 32.149 35.841 30.777 1.00 0.00 N ATOM 741 CD2 HIS A 60 34.139 34.977 30.509 1.00 0.00 C ATOM 742 CE1 HIS A 60 32.837 35.896 31.949 1.00 0.00 C ATOM 743 NE2 HIS A 60 34.047 35.381 31.825 1.00 0.00 N ATOM 0 H HIS A 60 32.093 33.421 26.020 1.00 0.00 H new ATOM 0 HA HIS A 60 33.590 33.100 28.485 1.00 0.00 H new ATOM 0 HB2 HIS A 60 33.266 35.614 27.780 1.00 0.00 H new ATOM 0 HB3 HIS A 60 31.596 35.356 28.245 1.00 0.00 H new ATOM 0 HD2 HIS A 60 35.008 34.515 30.065 1.00 0.00 H new ATOM 0 HE1 HIS A 60 32.443 36.309 32.866 1.00 0.00 H new ATOM 0 HE2 HIS A 60 34.761 35.299 32.548 1.00 0.00 H new ATOM 751 N LYS A 61 31.189 32.858 29.723 1.00 0.00 N ATOM 752 CA LYS A 61 30.209 32.025 30.347 1.00 0.00 C ATOM 753 C LYS A 61 28.823 32.282 29.864 1.00 0.00 C ATOM 754 O LYS A 61 28.324 33.406 29.914 1.00 0.00 O ATOM 755 CB LYS A 61 30.284 32.176 31.875 1.00 0.00 C ATOM 756 CG LYS A 61 29.486 31.127 32.653 1.00 0.00 C ATOM 757 CD LYS A 61 29.378 31.446 34.145 1.00 0.00 C ATOM 758 CE LYS A 61 28.390 32.562 34.491 1.00 0.00 C ATOM 759 NZ LYS A 61 26.996 32.119 34.268 1.00 0.00 N ATOM 0 H LYS A 61 31.601 33.545 30.355 1.00 0.00 H new ATOM 0 HA LYS A 61 30.445 30.998 30.066 1.00 0.00 H new ATOM 0 HB2 LYS A 61 31.328 32.122 32.183 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.922 33.167 32.148 1.00 0.00 H new ATOM 0 HG2 LYS A 61 28.484 31.052 32.229 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.958 30.153 32.528 1.00 0.00 H new ATOM 0 HD2 LYS A 61 29.083 30.541 34.676 1.00 0.00 H new ATOM 0 HD3 LYS A 61 30.364 31.725 34.515 1.00 0.00 H new ATOM 0 HE2 LYS A 61 28.520 32.859 35.532 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.599 33.441 33.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 26.340 32.830 34.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 26.827 32.005 33.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 26.839 31.210 34.749 1.00 0.00 H new ATOM 773 N GLY A 62 28.147 31.237 29.355 1.00 0.00 N ATOM 774 CA GLY A 62 26.822 31.334 28.827 1.00 0.00 C ATOM 775 C GLY A 62 26.758 31.535 27.352 1.00 0.00 C ATOM 776 O GLY A 62 25.664 31.692 26.810 1.00 0.00 O ATOM 0 H GLY A 62 28.535 30.295 29.309 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.276 30.426 29.081 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.309 32.162 29.316 1.00 0.00 H new ATOM 780 N ASP A 63 27.896 31.534 26.635 1.00 0.00 N ATOM 781 CA ASP A 63 27.904 31.708 25.215 1.00 0.00 C ATOM 782 C ASP A 63 27.532 30.453 24.503 1.00 0.00 C ATOM 783 O ASP A 63 27.636 29.351 25.040 1.00 0.00 O ATOM 784 CB ASP A 63 29.262 32.257 24.746 1.00 0.00 C ATOM 785 CG ASP A 63 29.530 33.671 25.241 1.00 0.00 C ATOM 786 OD1 ASP A 63 28.592 34.372 25.705 1.00 0.00 O ATOM 787 OD2 ASP A 63 30.705 34.116 25.148 1.00 0.00 O ATOM 0 H ASP A 63 28.822 31.411 27.045 1.00 0.00 H new ATOM 0 HA ASP A 63 27.142 32.445 24.960 1.00 0.00 H new ATOM 0 HB2 ASP A 63 30.056 31.598 25.097 1.00 0.00 H new ATOM 0 HB3 ASP A 63 29.297 32.246 23.657 1.00 0.00 H new ATOM 792 N ARG A 64 27.031 30.555 23.259 1.00 0.00 N ATOM 793 CA ARG A 64 26.512 29.464 22.493 1.00 0.00 C ATOM 794 C ARG A 64 27.502 29.030 21.469 1.00 0.00 C ATOM 795 O ARG A 64 27.918 29.811 20.614 1.00 0.00 O ATOM 796 CB ARG A 64 25.212 29.874 21.779 1.00 0.00 C ATOM 797 CG ARG A 64 24.680 28.935 20.694 1.00 0.00 C ATOM 798 CD ARG A 64 24.107 27.607 21.192 1.00 0.00 C ATOM 799 NE ARG A 64 24.236 26.587 20.113 1.00 0.00 N ATOM 800 CZ ARG A 64 23.398 26.417 19.049 1.00 0.00 C ATOM 801 NH1 ARG A 64 22.360 27.254 18.756 1.00 0.00 N ATOM 802 NH2 ARG A 64 23.592 25.337 18.237 1.00 0.00 N ATOM 0 H ARG A 64 26.986 31.445 22.762 1.00 0.00 H new ATOM 0 HA ARG A 64 26.308 28.642 23.180 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.435 29.991 22.534 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.369 30.854 21.329 1.00 0.00 H new ATOM 0 HG2 ARG A 64 23.904 29.458 20.135 1.00 0.00 H new ATOM 0 HG3 ARG A 64 25.489 28.722 19.995 1.00 0.00 H new ATOM 0 HD2 ARG A 64 24.639 27.279 22.085 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.060 27.730 21.471 1.00 0.00 H new ATOM 0 HE ARG A 64 25.031 25.951 20.176 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.174 28.063 19.349 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.770 27.070 17.944 1.00 0.00 H new ATOM 0 HH21 ARG A 64 24.348 24.681 18.432 1.00 0.00 H new ATOM 0 HH22 ARG A 64 22.980 25.186 17.435 1.00 0.00 H new ATOM 816 N VAL A 65 27.903 27.746 21.470 1.00 0.00 N ATOM 817 CA VAL A 65 28.849 27.239 20.525 1.00 0.00 C ATOM 818 C VAL A 65 28.161 26.751 19.297 1.00 0.00 C ATOM 819 O VAL A 65 27.329 25.846 19.342 1.00 0.00 O ATOM 820 CB VAL A 65 29.733 26.164 21.084 1.00 0.00 C ATOM 821 CG1 VAL A 65 30.905 25.937 20.114 1.00 0.00 C ATOM 822 CG2 VAL A 65 30.272 26.597 22.458 1.00 0.00 C ATOM 0 H VAL A 65 27.566 27.050 22.136 1.00 0.00 H new ATOM 0 HA VAL A 65 29.498 28.077 20.271 1.00 0.00 H new ATOM 0 HB VAL A 65 29.166 25.241 21.203 1.00 0.00 H new ATOM 0 HG11 VAL A 65 31.557 25.157 20.507 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.519 25.631 19.142 1.00 0.00 H new ATOM 0 HG13 VAL A 65 31.471 26.862 20.004 1.00 0.00 H new ATOM 0 HG21 VAL A 65 30.914 25.813 22.861 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.847 27.517 22.350 1.00 0.00 H new ATOM 0 HG23 VAL A 65 29.438 26.768 23.139 1.00 0.00 H new ATOM 832 N LEU A 66 28.474 27.347 18.133 1.00 0.00 N ATOM 833 CA LEU A 66 27.831 27.058 16.889 1.00 0.00 C ATOM 834 C LEU A 66 28.567 26.028 16.103 1.00 0.00 C ATOM 835 O LEU A 66 27.967 25.088 15.586 1.00 0.00 O ATOM 836 CB LEU A 66 27.673 28.328 16.035 1.00 0.00 C ATOM 837 CG LEU A 66 26.799 29.425 16.664 1.00 0.00 C ATOM 838 CD1 LEU A 66 26.761 30.665 15.754 1.00 0.00 C ATOM 839 CD2 LEU A 66 25.363 28.947 16.938 1.00 0.00 C ATOM 0 H LEU A 66 29.202 28.057 18.055 1.00 0.00 H new ATOM 0 HA LEU A 66 26.846 26.664 17.138 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.662 28.741 15.837 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.245 28.050 15.072 1.00 0.00 H new ATOM 0 HG LEU A 66 27.253 29.679 17.622 1.00 0.00 H new ATOM 0 HD11 LEU A 66 26.138 31.434 16.212 1.00 0.00 H new ATOM 0 HD12 LEU A 66 27.772 31.049 15.620 1.00 0.00 H new ATOM 0 HD13 LEU A 66 26.345 30.392 14.784 1.00 0.00 H new ATOM 0 HD21 LEU A 66 24.788 29.759 17.382 1.00 0.00 H new ATOM 0 HD22 LEU A 66 24.896 28.642 16.002 1.00 0.00 H new ATOM 0 HD23 LEU A 66 25.386 28.101 17.625 1.00 0.00 H new ATOM 851 N ALA A 67 29.900 26.148 15.977 1.00 0.00 N ATOM 852 CA ALA A 67 30.654 25.227 15.183 1.00 0.00 C ATOM 853 C ALA A 67 32.047 25.052 15.682 1.00 0.00 C ATOM 854 O ALA A 67 32.683 25.980 16.182 1.00 0.00 O ATOM 855 CB ALA A 67 30.698 25.660 13.708 1.00 0.00 C ATOM 0 H ALA A 67 30.455 26.879 16.422 1.00 0.00 H new ATOM 0 HA ALA A 67 30.137 24.271 15.265 1.00 0.00 H new ATOM 0 HB1 ALA A 67 31.279 24.938 13.134 1.00 0.00 H new ATOM 0 HB2 ALA A 67 29.684 25.707 13.312 1.00 0.00 H new ATOM 0 HB3 ALA A 67 31.163 26.643 13.631 1.00 0.00 H new ATOM 861 N VAL A 68 32.556 23.813 15.569 1.00 0.00 N ATOM 862 CA VAL A 68 33.864 23.403 15.975 1.00 0.00 C ATOM 863 C VAL A 68 34.725 23.018 14.821 1.00 0.00 C ATOM 864 O VAL A 68 34.515 22.012 14.146 1.00 0.00 O ATOM 865 CB VAL A 68 33.824 22.258 16.944 1.00 0.00 C ATOM 866 CG1 VAL A 68 32.949 21.092 16.453 1.00 0.00 C ATOM 867 CG2 VAL A 68 35.254 21.891 17.373 1.00 0.00 C ATOM 0 H VAL A 68 32.017 23.046 15.167 1.00 0.00 H new ATOM 0 HA VAL A 68 34.296 24.275 16.465 1.00 0.00 H new ATOM 0 HB VAL A 68 33.310 22.568 17.854 1.00 0.00 H new ATOM 0 HG11 VAL A 68 32.958 20.293 17.194 1.00 0.00 H new ATOM 0 HG12 VAL A 68 31.927 21.441 16.307 1.00 0.00 H new ATOM 0 HG13 VAL A 68 33.342 20.715 15.509 1.00 0.00 H new ATOM 0 HG21 VAL A 68 35.221 21.059 18.077 1.00 0.00 H new ATOM 0 HG22 VAL A 68 35.834 21.602 16.497 1.00 0.00 H new ATOM 0 HG23 VAL A 68 35.723 22.751 17.850 1.00 0.00 H new ATOM 877 N ASN A 69 35.771 23.812 14.529 1.00 0.00 N ATOM 878 CA ASN A 69 36.812 23.516 13.595 1.00 0.00 C ATOM 879 C ASN A 69 36.318 23.239 12.216 1.00 0.00 C ATOM 880 O ASN A 69 36.850 22.407 11.484 1.00 0.00 O ATOM 881 CB ASN A 69 37.763 22.452 14.169 1.00 0.00 C ATOM 882 CG ASN A 69 39.179 22.649 13.647 1.00 0.00 C ATOM 883 OD1 ASN A 69 39.657 23.777 13.535 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.899 21.535 13.351 1.00 0.00 N ATOM 0 H ASN A 69 35.897 24.720 14.976 1.00 0.00 H new ATOM 0 HA ASN A 69 37.407 24.419 13.458 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.762 22.507 15.258 1.00 0.00 H new ATOM 0 HB3 ASN A 69 37.407 21.458 13.900 1.00 0.00 H new ATOM 0 HD21 ASN A 69 40.862 21.622 13.026 1.00 0.00 H new ATOM 0 HD22 ASN A 69 39.476 20.612 13.453 1.00 0.00 H new ATOM 891 N GLY A 70 35.241 23.951 11.839 1.00 0.00 N ATOM 892 CA GLY A 70 34.502 23.755 10.630 1.00 0.00 C ATOM 893 C GLY A 70 33.175 23.103 10.820 1.00 0.00 C ATOM 894 O GLY A 70 32.280 23.326 10.007 1.00 0.00 O ATOM 0 H GLY A 70 34.865 24.707 12.411 1.00 0.00 H new ATOM 0 HA2 GLY A 70 34.353 24.721 10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.098 23.148 9.948 1.00 0.00 H new ATOM 898 N VAL A 71 32.976 22.260 11.848 1.00 0.00 N ATOM 899 CA VAL A 71 31.874 21.348 11.892 1.00 0.00 C ATOM 900 C VAL A 71 30.765 21.904 12.718 1.00 0.00 C ATOM 901 O VAL A 71 30.961 22.348 13.848 1.00 0.00 O ATOM 902 CB VAL A 71 32.263 19.984 12.378 1.00 0.00 C ATOM 903 CG1 VAL A 71 31.080 19.002 12.319 1.00 0.00 C ATOM 904 CG2 VAL A 71 33.397 19.452 11.487 1.00 0.00 C ATOM 0 H VAL A 71 33.589 22.210 12.662 1.00 0.00 H new ATOM 0 HA VAL A 71 31.528 21.226 10.865 1.00 0.00 H new ATOM 0 HB VAL A 71 32.583 20.066 13.417 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.400 18.024 12.679 1.00 0.00 H new ATOM 0 HG12 VAL A 71 30.269 19.372 12.946 1.00 0.00 H new ATOM 0 HG13 VAL A 71 30.732 18.913 11.290 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.692 18.459 11.827 1.00 0.00 H new ATOM 0 HG22 VAL A 71 33.052 19.394 10.455 1.00 0.00 H new ATOM 0 HG23 VAL A 71 34.252 20.125 11.546 1.00 0.00 H new ATOM 914 N SER A 72 29.527 21.917 12.192 1.00 0.00 N ATOM 915 CA SER A 72 28.397 22.477 12.866 1.00 0.00 C ATOM 916 C SER A 72 27.955 21.652 14.026 1.00 0.00 C ATOM 917 O SER A 72 27.811 20.434 13.947 1.00 0.00 O ATOM 918 CB SER A 72 27.219 22.751 11.916 1.00 0.00 C ATOM 919 OG SER A 72 26.872 21.621 11.129 1.00 0.00 O ATOM 0 H SER A 72 29.306 21.528 11.275 1.00 0.00 H new ATOM 0 HA SER A 72 28.738 23.437 13.255 1.00 0.00 H new ATOM 0 HB2 SER A 72 26.352 23.062 12.500 1.00 0.00 H new ATOM 0 HB3 SER A 72 27.474 23.582 11.258 1.00 0.00 H new ATOM 0 HG SER A 72 26.118 21.848 10.545 1.00 0.00 H new ATOM 925 N LEU A 73 27.724 22.293 15.186 1.00 0.00 N ATOM 926 CA LEU A 73 27.332 21.626 16.388 1.00 0.00 C ATOM 927 C LEU A 73 25.864 21.716 16.620 1.00 0.00 C ATOM 928 O LEU A 73 25.402 21.806 17.757 1.00 0.00 O ATOM 929 CB LEU A 73 28.102 22.151 17.612 1.00 0.00 C ATOM 930 CG LEU A 73 29.546 21.631 17.713 1.00 0.00 C ATOM 931 CD1 LEU A 73 30.296 22.385 18.823 1.00 0.00 C ATOM 932 CD2 LEU A 73 29.609 20.118 17.982 1.00 0.00 C ATOM 0 H LEU A 73 27.813 23.304 15.290 1.00 0.00 H new ATOM 0 HA LEU A 73 27.588 20.575 16.254 1.00 0.00 H new ATOM 0 HB2 LEU A 73 28.121 23.240 17.577 1.00 0.00 H new ATOM 0 HB3 LEU A 73 27.562 21.870 18.516 1.00 0.00 H new ATOM 0 HG LEU A 73 30.021 21.811 16.749 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.318 22.012 18.890 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.313 23.450 18.592 1.00 0.00 H new ATOM 0 HD13 LEU A 73 29.790 22.228 19.775 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.651 19.803 18.044 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.105 19.894 18.922 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.116 19.583 17.170 1.00 0.00 H new ATOM 944 N GLU A 74 25.051 21.670 15.550 1.00 0.00 N ATOM 945 CA GLU A 74 23.634 21.488 15.622 1.00 0.00 C ATOM 946 C GLU A 74 23.317 20.032 15.582 1.00 0.00 C ATOM 947 O GLU A 74 24.009 19.239 14.946 1.00 0.00 O ATOM 948 CB GLU A 74 22.903 22.227 14.488 1.00 0.00 C ATOM 949 CG GLU A 74 22.626 23.698 14.803 1.00 0.00 C ATOM 950 CD GLU A 74 21.409 23.861 15.702 1.00 0.00 C ATOM 951 OE1 GLU A 74 20.266 23.836 15.173 1.00 0.00 O ATOM 952 OE2 GLU A 74 21.587 23.994 16.943 1.00 0.00 O ATOM 0 H GLU A 74 25.395 21.764 14.594 1.00 0.00 H new ATOM 0 HA GLU A 74 23.284 21.914 16.562 1.00 0.00 H new ATOM 0 HB2 GLU A 74 23.500 22.164 13.579 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.959 21.722 14.285 1.00 0.00 H new ATOM 0 HG2 GLU A 74 23.498 24.137 15.288 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.468 24.246 13.874 1.00 0.00 H new ATOM 959 N GLY A 75 22.279 19.604 16.322 1.00 0.00 N ATOM 960 CA GLY A 75 21.882 18.236 16.449 1.00 0.00 C ATOM 961 C GLY A 75 22.686 17.440 17.418 1.00 0.00 C ATOM 962 O GLY A 75 22.181 16.510 18.044 1.00 0.00 O ATOM 0 H GLY A 75 21.689 20.241 16.857 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.836 18.203 16.753 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.945 17.762 15.470 1.00 0.00 H new ATOM 966 N ALA A 76 23.985 17.756 17.571 1.00 0.00 N ATOM 967 CA ALA A 76 24.909 17.032 18.386 1.00 0.00 C ATOM 968 C ALA A 76 24.685 17.175 19.852 1.00 0.00 C ATOM 969 O ALA A 76 24.160 18.170 20.347 1.00 0.00 O ATOM 970 CB ALA A 76 26.347 17.456 18.042 1.00 0.00 C ATOM 0 H ALA A 76 24.411 18.556 17.103 1.00 0.00 H new ATOM 0 HA ALA A 76 24.744 15.979 18.158 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.049 16.902 18.665 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.548 17.243 16.992 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.465 18.524 18.224 1.00 0.00 H new ATOM 976 N THR A 77 25.085 16.148 20.622 1.00 0.00 N ATOM 977 CA THR A 77 24.932 16.099 22.043 1.00 0.00 C ATOM 978 C THR A 77 26.126 16.638 22.752 1.00 0.00 C ATOM 979 O THR A 77 27.147 16.976 22.154 1.00 0.00 O ATOM 980 CB THR A 77 24.605 14.720 22.535 1.00 0.00 C ATOM 981 OG1 THR A 77 25.650 13.804 22.242 1.00 0.00 O ATOM 982 CG2 THR A 77 23.337 14.231 21.816 1.00 0.00 C ATOM 0 H THR A 77 25.534 15.316 20.238 1.00 0.00 H new ATOM 0 HA THR A 77 24.083 16.742 22.276 1.00 0.00 H new ATOM 0 HB THR A 77 24.466 14.767 23.615 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.409 12.915 22.576 1.00 0.00 H new ATOM 0 HG21 THR A 77 23.086 13.229 22.163 1.00 0.00 H new ATOM 0 HG22 THR A 77 22.511 14.908 22.034 1.00 0.00 H new ATOM 0 HG23 THR A 77 23.514 14.209 20.741 1.00 0.00 H new ATOM 990 N HIS A 78 26.052 16.729 24.092 1.00 0.00 N ATOM 991 CA HIS A 78 27.115 17.139 24.957 1.00 0.00 C ATOM 992 C HIS A 78 28.317 16.269 24.825 1.00 0.00 C ATOM 993 O HIS A 78 29.433 16.768 24.690 1.00 0.00 O ATOM 994 CB HIS A 78 26.580 17.182 26.399 1.00 0.00 C ATOM 995 CG HIS A 78 27.568 17.297 27.522 1.00 0.00 C ATOM 996 ND1 HIS A 78 27.330 16.728 28.757 1.00 0.00 N ATOM 997 CD2 HIS A 78 28.766 17.932 27.633 1.00 0.00 C ATOM 998 CE1 HIS A 78 28.396 17.035 29.544 1.00 0.00 C ATOM 999 NE2 HIS A 78 29.287 17.768 28.900 1.00 0.00 N ATOM 0 H HIS A 78 25.198 16.502 24.602 1.00 0.00 H new ATOM 0 HA HIS A 78 27.451 18.135 24.669 1.00 0.00 H new ATOM 0 HB2 HIS A 78 25.893 18.025 26.473 1.00 0.00 H new ATOM 0 HB3 HIS A 78 25.994 16.278 26.563 1.00 0.00 H new ATOM 0 HD2 HIS A 78 29.243 18.488 26.839 1.00 0.00 H new ATOM 0 HE1 HIS A 78 28.501 16.718 30.571 1.00 0.00 H new ATOM 0 HE2 HIS A 78 30.168 18.133 29.261 1.00 0.00 H new ATOM 1007 N LYS A 79 28.142 14.936 24.830 1.00 0.00 N ATOM 1008 CA LYS A 79 29.176 13.983 24.565 1.00 0.00 C ATOM 1009 C LYS A 79 29.900 14.162 23.277 1.00 0.00 C ATOM 1010 O LYS A 79 31.130 14.201 23.256 1.00 0.00 O ATOM 1011 CB LYS A 79 28.631 12.547 24.658 1.00 0.00 C ATOM 1012 CG LYS A 79 29.730 11.501 24.462 1.00 0.00 C ATOM 1013 CD LYS A 79 29.491 10.236 25.289 1.00 0.00 C ATOM 1014 CE LYS A 79 30.644 9.234 25.216 1.00 0.00 C ATOM 1015 NZ LYS A 79 31.868 9.808 25.817 1.00 0.00 N ATOM 0 H LYS A 79 27.240 14.503 25.027 1.00 0.00 H new ATOM 0 HA LYS A 79 29.917 14.167 25.343 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.161 12.400 25.630 1.00 0.00 H new ATOM 0 HB3 LYS A 79 27.856 12.404 23.905 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.790 11.235 23.407 1.00 0.00 H new ATOM 0 HG3 LYS A 79 30.692 11.934 24.736 1.00 0.00 H new ATOM 0 HD2 LYS A 79 29.329 10.517 26.330 1.00 0.00 H new ATOM 0 HD3 LYS A 79 28.577 9.753 24.943 1.00 0.00 H new ATOM 0 HE2 LYS A 79 30.371 8.317 25.739 1.00 0.00 H new ATOM 0 HE3 LYS A 79 30.834 8.964 24.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 32.578 9.968 25.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 31.638 10.712 26.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 32.250 9.148 26.524 1.00 0.00 H new ATOM 1029 N GLN A 80 29.167 14.348 22.164 1.00 0.00 N ATOM 1030 CA GLN A 80 29.710 14.550 20.857 1.00 0.00 C ATOM 1031 C GLN A 80 30.607 15.736 20.759 1.00 0.00 C ATOM 1032 O GLN A 80 31.720 15.670 20.240 1.00 0.00 O ATOM 1033 CB GLN A 80 28.578 14.777 19.841 1.00 0.00 C ATOM 1034 CG GLN A 80 27.697 13.553 19.580 1.00 0.00 C ATOM 1035 CD GLN A 80 28.405 12.463 18.789 1.00 0.00 C ATOM 1036 OE1 GLN A 80 28.610 11.345 19.260 1.00 0.00 O ATOM 1037 NE2 GLN A 80 28.772 12.790 17.521 1.00 0.00 N ATOM 0 H GLN A 80 28.147 14.358 22.177 1.00 0.00 H new ATOM 0 HA GLN A 80 30.287 13.650 20.646 1.00 0.00 H new ATOM 0 HB2 GLN A 80 27.948 15.592 20.196 1.00 0.00 H new ATOM 0 HB3 GLN A 80 29.016 15.101 18.897 1.00 0.00 H new ATOM 0 HG2 GLN A 80 27.364 13.143 20.533 1.00 0.00 H new ATOM 0 HG3 GLN A 80 26.804 13.865 19.038 1.00 0.00 H new ATOM 0 HE21 GLN A 80 28.587 13.727 17.162 1.00 0.00 H new ATOM 0 HE22 GLN A 80 29.232 12.099 16.929 1.00 0.00 H new ATOM 1046 N ALA A 81 30.157 16.885 21.295 1.00 0.00 N ATOM 1047 CA ALA A 81 30.894 18.107 21.384 1.00 0.00 C ATOM 1048 C ALA A 81 32.135 18.014 22.203 1.00 0.00 C ATOM 1049 O ALA A 81 33.159 18.578 21.821 1.00 0.00 O ATOM 1050 CB ALA A 81 29.973 19.196 21.962 1.00 0.00 C ATOM 0 H ALA A 81 29.220 16.964 21.690 1.00 0.00 H new ATOM 0 HA ALA A 81 31.223 18.352 20.374 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.522 20.135 22.036 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.112 19.330 21.307 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.632 18.896 22.953 1.00 0.00 H new ATOM 1056 N VAL A 82 32.131 17.277 23.328 1.00 0.00 N ATOM 1057 CA VAL A 82 33.262 17.080 24.180 1.00 0.00 C ATOM 1058 C VAL A 82 34.317 16.278 23.500 1.00 0.00 C ATOM 1059 O VAL A 82 35.487 16.658 23.469 1.00 0.00 O ATOM 1060 CB VAL A 82 32.898 16.428 25.481 1.00 0.00 C ATOM 1061 CG1 VAL A 82 34.123 15.904 26.249 1.00 0.00 C ATOM 1062 CG2 VAL A 82 32.168 17.468 26.349 1.00 0.00 C ATOM 0 H VAL A 82 31.296 16.794 23.660 1.00 0.00 H new ATOM 0 HA VAL A 82 33.650 18.075 24.401 1.00 0.00 H new ATOM 0 HB VAL A 82 32.266 15.567 25.262 1.00 0.00 H new ATOM 0 HG11 VAL A 82 33.798 15.443 27.182 1.00 0.00 H new ATOM 0 HG12 VAL A 82 34.645 15.165 25.641 1.00 0.00 H new ATOM 0 HG13 VAL A 82 34.796 16.733 26.469 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.892 17.017 27.302 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.825 18.319 26.527 1.00 0.00 H new ATOM 0 HG23 VAL A 82 31.269 17.805 25.834 1.00 0.00 H new ATOM 1072 N GLU A 83 33.948 15.137 22.892 1.00 0.00 N ATOM 1073 CA GLU A 83 34.897 14.309 22.213 1.00 0.00 C ATOM 1074 C GLU A 83 35.430 14.958 20.981 1.00 0.00 C ATOM 1075 O GLU A 83 36.594 14.796 20.622 1.00 0.00 O ATOM 1076 CB GLU A 83 34.344 12.897 21.950 1.00 0.00 C ATOM 1077 CG GLU A 83 34.179 12.110 23.251 1.00 0.00 C ATOM 1078 CD GLU A 83 33.846 10.633 23.103 1.00 0.00 C ATOM 1079 OE1 GLU A 83 33.489 10.151 21.994 1.00 0.00 O ATOM 1080 OE2 GLU A 83 33.929 9.924 24.141 1.00 0.00 O ATOM 0 H GLU A 83 32.990 14.787 22.870 1.00 0.00 H new ATOM 0 HA GLU A 83 35.749 14.185 22.882 1.00 0.00 H new ATOM 0 HB2 GLU A 83 33.382 12.970 21.443 1.00 0.00 H new ATOM 0 HB3 GLU A 83 35.017 12.360 21.281 1.00 0.00 H new ATOM 0 HG2 GLU A 83 35.102 12.198 23.824 1.00 0.00 H new ATOM 0 HG3 GLU A 83 33.392 12.582 23.840 1.00 0.00 H new ATOM 1087 N THR A 84 34.614 15.810 20.335 1.00 0.00 N ATOM 1088 CA THR A 84 35.014 16.705 19.294 1.00 0.00 C ATOM 1089 C THR A 84 35.979 17.759 19.716 1.00 0.00 C ATOM 1090 O THR A 84 36.966 18.003 19.024 1.00 0.00 O ATOM 1091 CB THR A 84 33.828 17.328 18.620 1.00 0.00 C ATOM 1092 OG1 THR A 84 33.119 16.317 17.921 1.00 0.00 O ATOM 1093 CG2 THR A 84 34.206 18.406 17.589 1.00 0.00 C ATOM 0 H THR A 84 33.620 15.878 20.552 1.00 0.00 H new ATOM 0 HA THR A 84 35.549 16.076 18.583 1.00 0.00 H new ATOM 0 HB THR A 84 33.237 17.799 19.405 1.00 0.00 H new ATOM 0 HG1 THR A 84 32.484 15.883 18.529 1.00 0.00 H new ATOM 0 HG21 THR A 84 33.300 18.814 17.140 1.00 0.00 H new ATOM 0 HG22 THR A 84 34.758 19.205 18.084 1.00 0.00 H new ATOM 0 HG23 THR A 84 34.828 17.963 16.811 1.00 0.00 H new ATOM 1101 N LEU A 85 35.793 18.410 20.878 1.00 0.00 N ATOM 1102 CA LEU A 85 36.733 19.337 21.427 1.00 0.00 C ATOM 1103 C LEU A 85 38.047 18.733 21.786 1.00 0.00 C ATOM 1104 O LEU A 85 39.101 19.334 21.585 1.00 0.00 O ATOM 1105 CB LEU A 85 36.156 20.022 22.677 1.00 0.00 C ATOM 1106 CG LEU A 85 35.076 21.071 22.365 1.00 0.00 C ATOM 1107 CD1 LEU A 85 34.384 21.493 23.673 1.00 0.00 C ATOM 1108 CD2 LEU A 85 35.679 22.268 21.611 1.00 0.00 C ATOM 0 H LEU A 85 34.961 18.287 21.455 1.00 0.00 H new ATOM 0 HA LEU A 85 36.912 20.060 20.631 1.00 0.00 H new ATOM 0 HB2 LEU A 85 35.733 19.262 23.334 1.00 0.00 H new ATOM 0 HB3 LEU A 85 36.967 20.501 23.225 1.00 0.00 H new ATOM 0 HG LEU A 85 34.322 20.638 21.707 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.618 22.237 23.456 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.923 20.622 24.138 1.00 0.00 H new ATOM 0 HD13 LEU A 85 35.121 21.920 24.353 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.897 22.997 21.401 1.00 0.00 H new ATOM 0 HD22 LEU A 85 36.452 22.732 22.223 1.00 0.00 H new ATOM 0 HD23 LEU A 85 36.116 21.925 20.673 1.00 0.00 H new ATOM 1120 N ARG A 86 38.056 17.490 22.299 1.00 0.00 N ATOM 1121 CA ARG A 86 39.252 16.731 22.492 1.00 0.00 C ATOM 1122 C ARG A 86 39.917 16.341 21.218 1.00 0.00 C ATOM 1123 O ARG A 86 41.144 16.304 21.134 1.00 0.00 O ATOM 1124 CB ARG A 86 38.979 15.540 23.427 1.00 0.00 C ATOM 1125 CG ARG A 86 39.262 15.888 24.890 1.00 0.00 C ATOM 1126 CD ARG A 86 38.936 14.745 25.854 1.00 0.00 C ATOM 1127 NE ARG A 86 39.522 15.076 27.183 1.00 0.00 N ATOM 1128 CZ ARG A 86 39.356 14.280 28.279 1.00 0.00 C ATOM 1129 NH1 ARG A 86 38.557 13.174 28.264 1.00 0.00 N ATOM 1130 NH2 ARG A 86 39.993 14.581 29.449 1.00 0.00 N ATOM 0 H ARG A 86 37.209 17.000 22.587 1.00 0.00 H new ATOM 0 HA ARG A 86 39.979 17.378 22.983 1.00 0.00 H new ATOM 0 HB2 ARG A 86 37.940 15.227 23.323 1.00 0.00 H new ATOM 0 HB3 ARG A 86 39.598 14.694 23.128 1.00 0.00 H new ATOM 0 HG2 ARG A 86 40.313 16.156 24.996 1.00 0.00 H new ATOM 0 HG3 ARG A 86 38.679 16.766 25.167 1.00 0.00 H new ATOM 0 HD2 ARG A 86 37.857 14.613 25.936 1.00 0.00 H new ATOM 0 HD3 ARG A 86 39.344 13.805 25.482 1.00 0.00 H new ATOM 0 HE ARG A 86 40.069 15.932 27.278 1.00 0.00 H new ATOM 0 HH11 ARG A 86 38.058 12.917 27.412 1.00 0.00 H new ATOM 0 HH12 ARG A 86 38.459 12.604 29.104 1.00 0.00 H new ATOM 0 HH21 ARG A 86 40.595 15.403 29.505 1.00 0.00 H new ATOM 0 HH22 ARG A 86 39.867 13.984 30.266 1.00 0.00 H new ATOM 1144 N ASN A 87 39.157 16.112 20.133 1.00 0.00 N ATOM 1145 CA ASN A 87 39.638 15.900 18.803 1.00 0.00 C ATOM 1146 C ASN A 87 39.868 17.182 18.079 1.00 0.00 C ATOM 1147 O ASN A 87 39.413 17.388 16.955 1.00 0.00 O ATOM 1148 CB ASN A 87 38.635 15.008 18.051 1.00 0.00 C ATOM 1149 CG ASN A 87 39.179 14.409 16.762 1.00 0.00 C ATOM 1150 OD1 ASN A 87 40.368 14.453 16.446 1.00 0.00 O ATOM 1151 ND2 ASN A 87 38.254 13.801 15.972 1.00 0.00 N ATOM 0 H ASN A 87 38.139 16.072 20.189 1.00 0.00 H new ATOM 0 HA ASN A 87 40.606 15.402 18.855 1.00 0.00 H new ATOM 0 HB2 ASN A 87 38.320 14.199 18.710 1.00 0.00 H new ATOM 0 HB3 ASN A 87 37.746 15.595 17.819 1.00 0.00 H new ATOM 0 HD21 ASN A 87 38.539 13.367 15.094 1.00 0.00 H new ATOM 0 HD22 ASN A 87 37.275 13.779 16.257 1.00 0.00 H new ATOM 1158 N THR A 88 40.613 18.118 18.695 1.00 0.00 N ATOM 1159 CA THR A 88 41.085 19.325 18.091 1.00 0.00 C ATOM 1160 C THR A 88 42.547 19.222 17.830 1.00 0.00 C ATOM 1161 O THR A 88 43.288 18.598 18.589 1.00 0.00 O ATOM 1162 CB THR A 88 40.857 20.564 18.905 1.00 0.00 C ATOM 1163 OG1 THR A 88 41.205 20.393 20.271 1.00 0.00 O ATOM 1164 CG2 THR A 88 39.375 20.967 18.835 1.00 0.00 C ATOM 0 H THR A 88 40.902 18.026 19.669 1.00 0.00 H new ATOM 0 HA THR A 88 40.505 19.426 17.174 1.00 0.00 H new ATOM 0 HB THR A 88 41.498 21.338 18.482 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.451 19.995 20.753 1.00 0.00 H new ATOM 0 HG21 THR A 88 39.214 21.867 19.428 1.00 0.00 H new ATOM 0 HG22 THR A 88 39.099 21.161 17.798 1.00 0.00 H new ATOM 0 HG23 THR A 88 38.759 20.159 19.229 1.00 0.00 H new ATOM 1172 N GLY A 89 43.021 19.886 16.760 1.00 0.00 N ATOM 1173 CA GLY A 89 44.413 20.086 16.501 1.00 0.00 C ATOM 1174 C GLY A 89 44.949 21.262 17.242 1.00 0.00 C ATOM 1175 O GLY A 89 44.326 21.760 18.179 1.00 0.00 O ATOM 0 H GLY A 89 42.414 20.298 16.051 1.00 0.00 H new ATOM 0 HA2 GLY A 89 44.968 19.192 16.786 1.00 0.00 H new ATOM 0 HA3 GLY A 89 44.567 20.229 15.431 1.00 0.00 H new ATOM 1179 N GLN A 90 46.136 21.767 16.860 1.00 0.00 N ATOM 1180 CA GLN A 90 46.767 22.860 17.532 1.00 0.00 C ATOM 1181 C GLN A 90 46.086 24.175 17.356 1.00 0.00 C ATOM 1182 O GLN A 90 45.876 24.904 18.323 1.00 0.00 O ATOM 1183 CB GLN A 90 48.252 22.967 17.150 1.00 0.00 C ATOM 1184 CG GLN A 90 49.054 23.897 18.065 1.00 0.00 C ATOM 1185 CD GLN A 90 50.536 23.864 17.720 1.00 0.00 C ATOM 1186 OE1 GLN A 90 50.931 23.753 16.561 1.00 0.00 O ATOM 1187 NE2 GLN A 90 51.416 23.973 18.752 1.00 0.00 N ATOM 0 H GLN A 90 46.668 21.408 16.067 1.00 0.00 H new ATOM 0 HA GLN A 90 46.681 22.623 18.592 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.698 21.973 17.175 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.330 23.325 16.123 1.00 0.00 H new ATOM 0 HG2 GLN A 90 48.679 24.916 17.971 1.00 0.00 H new ATOM 0 HG3 GLN A 90 48.913 23.600 19.104 1.00 0.00 H new ATOM 0 HE21 GLN A 90 51.072 24.064 19.708 1.00 0.00 H new ATOM 0 HE22 GLN A 90 52.420 23.963 18.570 1.00 0.00 H new ATOM 1196 N VAL A 91 45.701 24.533 16.118 1.00 0.00 N ATOM 1197 CA VAL A 91 44.978 25.730 15.822 1.00 0.00 C ATOM 1198 C VAL A 91 43.552 25.378 15.566 1.00 0.00 C ATOM 1199 O VAL A 91 43.212 24.623 14.657 1.00 0.00 O ATOM 1200 CB VAL A 91 45.527 26.509 14.664 1.00 0.00 C ATOM 1201 CG1 VAL A 91 44.744 27.816 14.460 1.00 0.00 C ATOM 1202 CG2 VAL A 91 47.006 26.832 14.934 1.00 0.00 C ATOM 0 H VAL A 91 45.901 23.968 15.293 1.00 0.00 H new ATOM 0 HA VAL A 91 45.078 26.382 16.689 1.00 0.00 H new ATOM 0 HB VAL A 91 45.431 25.909 13.759 1.00 0.00 H new ATOM 0 HG11 VAL A 91 45.162 28.362 13.614 1.00 0.00 H new ATOM 0 HG12 VAL A 91 43.697 27.586 14.262 1.00 0.00 H new ATOM 0 HG13 VAL A 91 44.817 28.428 15.359 1.00 0.00 H new ATOM 0 HG21 VAL A 91 47.413 27.399 14.097 1.00 0.00 H new ATOM 0 HG22 VAL A 91 47.089 27.423 15.846 1.00 0.00 H new ATOM 0 HG23 VAL A 91 47.566 25.904 15.051 1.00 0.00 H new ATOM 1212 N VAL A 92 42.660 25.928 16.407 1.00 0.00 N ATOM 1213 CA VAL A 92 41.292 25.558 16.603 1.00 0.00 C ATOM 1214 C VAL A 92 40.397 26.636 16.097 1.00 0.00 C ATOM 1215 O VAL A 92 40.449 27.772 16.567 1.00 0.00 O ATOM 1216 CB VAL A 92 41.098 25.367 18.079 1.00 0.00 C ATOM 1217 CG1 VAL A 92 39.632 25.050 18.420 1.00 0.00 C ATOM 1218 CG2 VAL A 92 41.974 24.180 18.514 1.00 0.00 C ATOM 0 H VAL A 92 42.924 26.708 17.008 1.00 0.00 H new ATOM 0 HA VAL A 92 41.050 24.644 16.061 1.00 0.00 H new ATOM 0 HB VAL A 92 41.373 26.286 18.596 1.00 0.00 H new ATOM 0 HG11 VAL A 92 39.529 24.918 19.497 1.00 0.00 H new ATOM 0 HG12 VAL A 92 38.996 25.873 18.093 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.330 24.134 17.912 1.00 0.00 H new ATOM 0 HG21 VAL A 92 41.856 24.014 19.585 1.00 0.00 H new ATOM 0 HG22 VAL A 92 41.669 23.285 17.972 1.00 0.00 H new ATOM 0 HG23 VAL A 92 43.019 24.399 18.294 1.00 0.00 H new ATOM 1228 N HIS A 93 39.540 26.341 15.104 1.00 0.00 N ATOM 1229 CA HIS A 93 38.699 27.313 14.475 1.00 0.00 C ATOM 1230 C HIS A 93 37.276 27.229 14.907 1.00 0.00 C ATOM 1231 O HIS A 93 36.472 26.498 14.332 1.00 0.00 O ATOM 1232 CB HIS A 93 38.757 27.115 12.951 1.00 0.00 C ATOM 1233 CG HIS A 93 38.187 28.233 12.129 1.00 0.00 C ATOM 1234 ND1 HIS A 93 38.161 28.198 10.749 1.00 0.00 N ATOM 1235 CD2 HIS A 93 37.665 29.438 12.479 1.00 0.00 C ATOM 1236 CE1 HIS A 93 37.628 29.380 10.336 1.00 0.00 C ATOM 1237 NE2 HIS A 93 37.310 30.156 11.355 1.00 0.00 N ATOM 0 H HIS A 93 39.428 25.400 14.727 1.00 0.00 H new ATOM 0 HA HIS A 93 39.073 28.293 14.771 1.00 0.00 H new ATOM 0 HB2 HIS A 93 39.798 26.969 12.661 1.00 0.00 H new ATOM 0 HB3 HIS A 93 38.225 26.197 12.702 1.00 0.00 H new ATOM 0 HD2 HIS A 93 37.545 29.785 13.495 1.00 0.00 H new ATOM 0 HE1 HIS A 93 37.483 29.650 9.300 1.00 0.00 H new ATOM 0 HE2 HIS A 93 36.892 31.086 11.320 1.00 0.00 H new ATOM 1245 N LEU A 94 36.855 27.974 15.945 1.00 0.00 N ATOM 1246 CA LEU A 94 35.499 27.958 16.400 1.00 0.00 C ATOM 1247 C LEU A 94 34.641 28.996 15.762 1.00 0.00 C ATOM 1248 O LEU A 94 35.117 30.016 15.269 1.00 0.00 O ATOM 1249 CB LEU A 94 35.376 28.195 17.915 1.00 0.00 C ATOM 1250 CG LEU A 94 36.341 27.373 18.786 1.00 0.00 C ATOM 1251 CD1 LEU A 94 36.091 27.741 20.258 1.00 0.00 C ATOM 1252 CD2 LEU A 94 36.172 25.862 18.558 1.00 0.00 C ATOM 0 H LEU A 94 37.464 28.596 16.476 1.00 0.00 H new ATOM 0 HA LEU A 94 35.160 26.959 16.124 1.00 0.00 H new ATOM 0 HB2 LEU A 94 35.542 29.253 18.116 1.00 0.00 H new ATOM 0 HB3 LEU A 94 34.354 27.969 18.220 1.00 0.00 H new ATOM 0 HG LEU A 94 37.368 27.612 18.509 1.00 0.00 H new ATOM 0 HD11 LEU A 94 36.765 27.169 20.896 1.00 0.00 H new ATOM 0 HD12 LEU A 94 36.271 28.806 20.402 1.00 0.00 H new ATOM 0 HD13 LEU A 94 35.059 27.509 20.521 1.00 0.00 H new ATOM 0 HD21 LEU A 94 36.872 25.318 19.192 1.00 0.00 H new ATOM 0 HD22 LEU A 94 35.152 25.568 18.807 1.00 0.00 H new ATOM 0 HD23 LEU A 94 36.372 25.627 17.512 1.00 0.00 H new ATOM 1264 N LEU A 95 33.311 28.796 15.826 1.00 0.00 N ATOM 1265 CA LEU A 95 32.345 29.831 15.627 1.00 0.00 C ATOM 1266 C LEU A 95 31.435 29.817 16.806 1.00 0.00 C ATOM 1267 O LEU A 95 30.900 28.772 17.174 1.00 0.00 O ATOM 1268 CB LEU A 95 31.553 29.619 14.326 1.00 0.00 C ATOM 1269 CG LEU A 95 30.373 30.568 14.058 1.00 0.00 C ATOM 1270 CD1 LEU A 95 30.774 32.050 13.964 1.00 0.00 C ATOM 1271 CD2 LEU A 95 29.635 30.149 12.776 1.00 0.00 C ATOM 0 H LEU A 95 32.896 27.885 16.022 1.00 0.00 H new ATOM 0 HA LEU A 95 32.844 30.796 15.533 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.248 29.700 13.490 1.00 0.00 H new ATOM 0 HB3 LEU A 95 31.172 28.598 14.325 1.00 0.00 H new ATOM 0 HG LEU A 95 29.715 30.479 14.923 1.00 0.00 H new ATOM 0 HD11 LEU A 95 29.888 32.655 13.774 1.00 0.00 H new ATOM 0 HD12 LEU A 95 31.233 32.363 14.902 1.00 0.00 H new ATOM 0 HD13 LEU A 95 31.486 32.183 13.150 1.00 0.00 H new ATOM 0 HD21 LEU A 95 28.802 30.829 12.597 1.00 0.00 H new ATOM 0 HD22 LEU A 95 30.323 30.188 11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 95 29.257 29.133 12.889 1.00 0.00 H new ATOM 1283 N LEU A 96 31.225 30.972 17.464 1.00 0.00 N ATOM 1284 CA LEU A 96 30.314 31.060 18.562 1.00 0.00 C ATOM 1285 C LEU A 96 29.461 32.280 18.490 1.00 0.00 C ATOM 1286 O LEU A 96 29.787 33.254 17.813 1.00 0.00 O ATOM 1287 CB LEU A 96 30.953 30.835 19.943 1.00 0.00 C ATOM 1288 CG LEU A 96 31.914 31.851 20.584 1.00 0.00 C ATOM 1289 CD1 LEU A 96 33.135 32.222 19.724 1.00 0.00 C ATOM 1290 CD2 LEU A 96 31.195 33.092 21.141 1.00 0.00 C ATOM 0 H LEU A 96 31.690 31.850 17.233 1.00 0.00 H new ATOM 0 HA LEU A 96 29.644 30.208 18.449 1.00 0.00 H new ATOM 0 HB2 LEU A 96 30.133 30.694 20.647 1.00 0.00 H new ATOM 0 HB3 LEU A 96 31.491 29.889 19.887 1.00 0.00 H new ATOM 0 HG LEU A 96 32.329 31.313 21.436 1.00 0.00 H new ATOM 0 HD11 LEU A 96 33.752 32.943 20.260 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.720 31.326 19.517 1.00 0.00 H new ATOM 0 HD13 LEU A 96 32.799 32.660 18.784 1.00 0.00 H new ATOM 0 HD21 LEU A 96 31.927 33.770 21.580 1.00 0.00 H new ATOM 0 HD22 LEU A 96 30.668 33.600 20.334 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.480 32.786 21.905 1.00 0.00 H new ATOM 1302 N GLU A 97 28.308 32.242 19.182 1.00 0.00 N ATOM 1303 CA GLU A 97 27.421 33.349 19.361 1.00 0.00 C ATOM 1304 C GLU A 97 27.479 33.782 20.785 1.00 0.00 C ATOM 1305 O GLU A 97 27.532 32.971 21.709 1.00 0.00 O ATOM 1306 CB GLU A 97 25.968 33.017 18.982 1.00 0.00 C ATOM 1307 CG GLU A 97 25.022 34.219 18.984 1.00 0.00 C ATOM 1308 CD GLU A 97 23.579 33.867 18.652 1.00 0.00 C ATOM 1309 OE1 GLU A 97 22.821 33.466 19.575 1.00 0.00 O ATOM 1310 OE2 GLU A 97 23.166 34.043 17.474 1.00 0.00 O ATOM 0 H GLU A 97 27.978 31.393 19.641 1.00 0.00 H new ATOM 0 HA GLU A 97 27.747 34.147 18.694 1.00 0.00 H new ATOM 0 HB2 GLU A 97 25.959 32.565 17.990 1.00 0.00 H new ATOM 0 HB3 GLU A 97 25.586 32.269 19.677 1.00 0.00 H new ATOM 0 HG2 GLU A 97 25.054 34.693 19.965 1.00 0.00 H new ATOM 0 HG3 GLU A 97 25.382 34.954 18.264 1.00 0.00 H new ATOM 1317 N LYS A 98 27.447 35.106 21.022 1.00 0.00 N ATOM 1318 CA LYS A 98 27.548 35.707 22.316 1.00 0.00 C ATOM 1319 C LYS A 98 26.272 35.582 23.077 1.00 0.00 C ATOM 1320 O LYS A 98 25.193 35.937 22.606 1.00 0.00 O ATOM 1321 CB LYS A 98 27.870 37.200 22.138 1.00 0.00 C ATOM 1322 CG LYS A 98 28.018 38.019 23.422 1.00 0.00 C ATOM 1323 CD LYS A 98 29.201 37.583 24.289 1.00 0.00 C ATOM 1324 CE LYS A 98 28.961 37.813 25.783 1.00 0.00 C ATOM 1325 NZ LYS A 98 28.913 39.259 26.093 1.00 0.00 N ATOM 0 H LYS A 98 27.346 35.791 20.273 1.00 0.00 H new ATOM 0 HA LYS A 98 28.333 35.196 22.874 1.00 0.00 H new ATOM 0 HB2 LYS A 98 28.796 37.285 21.569 1.00 0.00 H new ATOM 0 HB3 LYS A 98 27.082 37.650 21.534 1.00 0.00 H new ATOM 0 HG2 LYS A 98 28.136 39.071 23.161 1.00 0.00 H new ATOM 0 HG3 LYS A 98 27.100 37.936 24.005 1.00 0.00 H new ATOM 0 HD2 LYS A 98 29.401 36.525 24.117 1.00 0.00 H new ATOM 0 HD3 LYS A 98 30.092 38.130 23.981 1.00 0.00 H new ATOM 0 HE2 LYS A 98 28.025 37.342 26.082 1.00 0.00 H new ATOM 0 HE3 LYS A 98 29.755 37.339 26.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 28.749 39.390 27.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 29.816 39.701 25.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 28.140 39.703 25.558 1.00 0.00 H new