USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=13 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+ -138:sc= 0.732 (180deg=0.082) USER MOD Single : A 21 THR OG1 : rot 36:sc= 0.587 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= 0.00966 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 42:sc= 1.11 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.302 K(o=0.3,f=-3.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0267 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0479 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 79 LYS NZ :NH3+ 149:sc= 1.2 (180deg=1.04) USER MOD Single : A 80 GLN : amide:sc= -0.0211 X(o=-0.021,f=-0.021) USER MOD Single : A 84 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 87 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.27) USER MOD Single : A 88 THR OG1 : rot -99:sc= 1.21 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.409 X(o=-0.41,f=-0.03) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 25.527 38.046 18.577 1.00 0.00 N ATOM 45 CA ASP A 12 26.402 38.208 17.456 1.00 0.00 C ATOM 46 C ASP A 12 27.462 37.163 17.484 1.00 0.00 C ATOM 47 O ASP A 12 27.840 36.660 18.540 1.00 0.00 O ATOM 48 CB ASP A 12 26.993 39.627 17.425 1.00 0.00 C ATOM 49 CG ASP A 12 27.348 40.030 16.001 1.00 0.00 C ATOM 50 OD1 ASP A 12 26.442 39.955 15.129 1.00 0.00 O ATOM 51 OD2 ASP A 12 28.514 40.422 15.726 1.00 0.00 O ATOM 0 HA ASP A 12 25.831 38.081 16.536 1.00 0.00 H new ATOM 0 HB2 ASP A 12 26.275 40.334 17.840 1.00 0.00 H new ATOM 0 HB3 ASP A 12 27.883 39.670 18.053 1.00 0.00 H new ATOM 56 N THR A 13 27.952 36.753 16.300 1.00 0.00 N ATOM 57 CA THR A 13 28.913 35.705 16.144 1.00 0.00 C ATOM 58 C THR A 13 30.327 36.178 16.157 1.00 0.00 C ATOM 59 O THR A 13 30.625 37.343 15.901 1.00 0.00 O ATOM 60 CB THR A 13 28.711 34.856 14.925 1.00 0.00 C ATOM 61 OG1 THR A 13 28.576 35.619 13.736 1.00 0.00 O ATOM 62 CG2 THR A 13 27.447 33.988 15.059 1.00 0.00 C ATOM 0 H THR A 13 27.666 37.170 15.414 1.00 0.00 H new ATOM 0 HA THR A 13 28.733 35.091 17.027 1.00 0.00 H new ATOM 0 HB THR A 13 29.606 34.238 14.854 1.00 0.00 H new ATOM 0 HG1 THR A 13 28.449 35.017 12.973 1.00 0.00 H new ATOM 0 HG21 THR A 13 27.325 33.382 14.161 1.00 0.00 H new ATOM 0 HG22 THR A 13 27.544 33.335 15.926 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.576 34.631 15.185 1.00 0.00 H new ATOM 70 N PHE A 14 31.267 35.259 16.438 1.00 0.00 N ATOM 71 CA PHE A 14 32.675 35.509 16.433 1.00 0.00 C ATOM 72 C PHE A 14 33.338 34.274 15.925 1.00 0.00 C ATOM 73 O PHE A 14 32.968 33.164 16.301 1.00 0.00 O ATOM 74 CB PHE A 14 33.309 35.720 17.819 1.00 0.00 C ATOM 75 CG PHE A 14 32.548 36.595 18.753 1.00 0.00 C ATOM 76 CD1 PHE A 14 32.485 37.955 18.562 1.00 0.00 C ATOM 77 CD2 PHE A 14 31.992 36.056 19.890 1.00 0.00 C ATOM 78 CE1 PHE A 14 31.866 38.764 19.486 1.00 0.00 C ATOM 79 CE2 PHE A 14 31.379 36.855 20.826 1.00 0.00 C ATOM 80 CZ PHE A 14 31.316 38.212 20.620 1.00 0.00 C ATOM 0 H PHE A 14 31.034 34.296 16.680 1.00 0.00 H new ATOM 0 HA PHE A 14 32.809 36.416 15.843 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.441 34.746 18.290 1.00 0.00 H new ATOM 0 HB3 PHE A 14 34.303 36.145 17.682 1.00 0.00 H new ATOM 0 HD1 PHE A 14 32.926 38.392 17.678 1.00 0.00 H new ATOM 0 HD2 PHE A 14 32.038 34.989 20.050 1.00 0.00 H new ATOM 0 HE1 PHE A 14 31.812 39.830 19.322 1.00 0.00 H new ATOM 0 HE2 PHE A 14 30.950 36.419 21.716 1.00 0.00 H new ATOM 0 HZ PHE A 14 30.834 38.846 21.349 1.00 0.00 H new ATOM 90 N GLU A 15 34.369 34.400 15.071 1.00 0.00 N ATOM 91 CA GLU A 15 35.265 33.323 14.779 1.00 0.00 C ATOM 92 C GLU A 15 36.372 33.329 15.777 1.00 0.00 C ATOM 93 O GLU A 15 37.083 34.322 15.918 1.00 0.00 O ATOM 94 CB GLU A 15 35.901 33.437 13.384 1.00 0.00 C ATOM 95 CG GLU A 15 34.904 33.473 12.223 1.00 0.00 C ATOM 96 CD GLU A 15 35.586 33.956 10.951 1.00 0.00 C ATOM 97 OE1 GLU A 15 36.514 33.268 10.447 1.00 0.00 O ATOM 98 OE2 GLU A 15 35.199 35.051 10.463 1.00 0.00 O ATOM 0 H GLU A 15 34.585 35.264 14.574 1.00 0.00 H new ATOM 0 HA GLU A 15 34.679 32.405 14.816 1.00 0.00 H new ATOM 0 HB2 GLU A 15 36.509 34.341 13.350 1.00 0.00 H new ATOM 0 HB3 GLU A 15 36.576 32.594 13.238 1.00 0.00 H new ATOM 0 HG2 GLU A 15 34.486 32.479 12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 15 34.072 34.133 12.470 1.00 0.00 H new ATOM 105 N VAL A 16 36.568 32.215 16.505 1.00 0.00 N ATOM 106 CA VAL A 16 37.618 32.072 17.465 1.00 0.00 C ATOM 107 C VAL A 16 38.634 31.150 16.885 1.00 0.00 C ATOM 108 O VAL A 16 38.595 29.933 17.052 1.00 0.00 O ATOM 109 CB VAL A 16 37.110 31.728 18.834 1.00 0.00 C ATOM 110 CG1 VAL A 16 38.242 31.316 19.790 1.00 0.00 C ATOM 111 CG2 VAL A 16 36.375 32.954 19.400 1.00 0.00 C ATOM 0 H VAL A 16 35.977 31.388 16.423 1.00 0.00 H new ATOM 0 HA VAL A 16 38.115 33.024 17.653 1.00 0.00 H new ATOM 0 HB VAL A 16 36.438 30.874 18.747 1.00 0.00 H new ATOM 0 HG11 VAL A 16 37.824 31.077 20.768 1.00 0.00 H new ATOM 0 HG12 VAL A 16 38.755 30.441 19.391 1.00 0.00 H new ATOM 0 HG13 VAL A 16 38.951 32.138 19.890 1.00 0.00 H new ATOM 0 HG21 VAL A 16 35.997 32.724 20.396 1.00 0.00 H new ATOM 0 HG22 VAL A 16 37.064 33.796 19.459 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.541 33.212 18.747 1.00 0.00 H new ATOM 121 N GLU A 17 39.593 31.719 16.132 1.00 0.00 N ATOM 122 CA GLU A 17 40.689 31.041 15.512 1.00 0.00 C ATOM 123 C GLU A 17 41.875 31.171 16.403 1.00 0.00 C ATOM 124 O GLU A 17 42.656 32.119 16.324 1.00 0.00 O ATOM 125 CB GLU A 17 40.981 31.582 14.103 1.00 0.00 C ATOM 126 CG GLU A 17 40.268 30.787 13.007 1.00 0.00 C ATOM 127 CD GLU A 17 40.364 31.411 11.622 1.00 0.00 C ATOM 128 OE1 GLU A 17 40.883 32.549 11.465 1.00 0.00 O ATOM 129 OE2 GLU A 17 39.911 30.749 10.650 1.00 0.00 O ATOM 0 H GLU A 17 39.602 32.722 15.944 1.00 0.00 H new ATOM 0 HA GLU A 17 40.436 29.989 15.379 1.00 0.00 H new ATOM 0 HB2 GLU A 17 40.673 32.626 14.048 1.00 0.00 H new ATOM 0 HB3 GLU A 17 42.056 31.557 13.924 1.00 0.00 H new ATOM 0 HG2 GLU A 17 40.688 29.782 12.971 1.00 0.00 H new ATOM 0 HG3 GLU A 17 39.216 30.683 13.275 1.00 0.00 H new ATOM 136 N LEU A 18 42.005 30.200 17.325 1.00 0.00 N ATOM 137 CA LEU A 18 42.950 30.195 18.399 1.00 0.00 C ATOM 138 C LEU A 18 43.752 28.941 18.358 1.00 0.00 C ATOM 139 O LEU A 18 43.286 27.894 17.911 1.00 0.00 O ATOM 140 CB LEU A 18 42.160 30.270 19.717 1.00 0.00 C ATOM 141 CG LEU A 18 42.927 30.756 20.959 1.00 0.00 C ATOM 142 CD1 LEU A 18 43.258 32.256 20.875 1.00 0.00 C ATOM 143 CD2 LEU A 18 42.054 30.479 22.195 1.00 0.00 C ATOM 0 H LEU A 18 41.414 29.368 17.320 1.00 0.00 H new ATOM 0 HA LEU A 18 43.631 31.042 18.315 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.307 30.931 19.564 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.761 29.278 19.931 1.00 0.00 H new ATOM 0 HG LEU A 18 43.875 30.222 21.024 1.00 0.00 H new ATOM 0 HD11 LEU A 18 43.800 32.560 21.771 1.00 0.00 H new ATOM 0 HD12 LEU A 18 43.875 32.444 19.997 1.00 0.00 H new ATOM 0 HD13 LEU A 18 42.334 32.829 20.798 1.00 0.00 H new ATOM 0 HD21 LEU A 18 42.575 30.815 23.091 1.00 0.00 H new ATOM 0 HD22 LEU A 18 41.110 31.016 22.102 1.00 0.00 H new ATOM 0 HD23 LEU A 18 41.857 29.410 22.269 1.00 0.00 H new ATOM 155 N ALA A 19 45.003 28.968 18.853 1.00 0.00 N ATOM 156 CA ALA A 19 45.806 27.814 19.115 1.00 0.00 C ATOM 157 C ALA A 19 45.838 27.513 20.574 1.00 0.00 C ATOM 158 O ALA A 19 45.678 28.393 21.418 1.00 0.00 O ATOM 159 CB ALA A 19 47.238 28.012 18.589 1.00 0.00 C ATOM 0 H ALA A 19 45.478 29.841 19.082 1.00 0.00 H new ATOM 0 HA ALA A 19 45.356 26.970 18.593 1.00 0.00 H new ATOM 0 HB1 ALA A 19 47.830 27.121 18.800 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.210 28.183 17.513 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.691 28.873 19.081 1.00 0.00 H new ATOM 165 N LYS A 20 46.060 26.238 20.940 1.00 0.00 N ATOM 166 CA LYS A 20 46.106 25.813 22.305 1.00 0.00 C ATOM 167 C LYS A 20 47.256 26.333 23.097 1.00 0.00 C ATOM 168 O LYS A 20 48.315 26.658 22.562 1.00 0.00 O ATOM 169 CB LYS A 20 46.208 24.280 22.380 1.00 0.00 C ATOM 170 CG LYS A 20 45.019 23.497 21.822 1.00 0.00 C ATOM 171 CD LYS A 20 45.390 22.021 21.662 1.00 0.00 C ATOM 172 CE LYS A 20 44.219 21.100 21.313 1.00 0.00 C ATOM 173 NZ LYS A 20 44.749 19.775 20.923 1.00 0.00 N ATOM 0 H LYS A 20 46.211 25.483 20.271 1.00 0.00 H new ATOM 0 HA LYS A 20 45.186 26.213 22.732 1.00 0.00 H new ATOM 0 HB2 LYS A 20 47.105 23.970 21.844 1.00 0.00 H new ATOM 0 HB3 LYS A 20 46.346 23.996 23.423 1.00 0.00 H new ATOM 0 HG2 LYS A 20 44.163 23.595 22.490 1.00 0.00 H new ATOM 0 HG3 LYS A 20 44.720 23.911 20.859 1.00 0.00 H new ATOM 0 HD2 LYS A 20 46.148 21.934 20.883 1.00 0.00 H new ATOM 0 HD3 LYS A 20 45.844 21.672 22.589 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.550 21.001 22.168 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.634 21.527 20.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 44.226 19.421 20.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.757 19.861 20.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.637 19.110 21.714 1.00 0.00 H new ATOM 187 N THR A 21 47.112 26.392 24.433 1.00 0.00 N ATOM 188 CA THR A 21 48.183 26.658 25.341 1.00 0.00 C ATOM 189 C THR A 21 48.385 25.460 26.204 1.00 0.00 C ATOM 190 O THR A 21 47.506 25.111 26.990 1.00 0.00 O ATOM 191 CB THR A 21 48.001 27.842 26.244 1.00 0.00 C ATOM 192 OG1 THR A 21 46.823 27.771 27.034 1.00 0.00 O ATOM 193 CG2 THR A 21 47.914 29.130 25.409 1.00 0.00 C ATOM 0 H THR A 21 46.215 26.249 24.898 1.00 0.00 H new ATOM 0 HA THR A 21 49.038 26.891 24.706 1.00 0.00 H new ATOM 0 HB THR A 21 48.865 27.844 26.909 1.00 0.00 H new ATOM 0 HG1 THR A 21 46.663 26.841 27.300 1.00 0.00 H new ATOM 0 HG21 THR A 21 47.782 29.985 26.072 1.00 0.00 H new ATOM 0 HG22 THR A 21 48.832 29.254 24.835 1.00 0.00 H new ATOM 0 HG23 THR A 21 47.066 29.065 24.727 1.00 0.00 H new ATOM 201 N ASP A 22 49.543 24.784 26.087 1.00 0.00 N ATOM 202 CA ASP A 22 49.928 23.580 26.757 1.00 0.00 C ATOM 203 C ASP A 22 48.856 22.553 26.887 1.00 0.00 C ATOM 204 O ASP A 22 48.469 22.139 27.979 1.00 0.00 O ATOM 205 CB ASP A 22 50.642 23.920 28.076 1.00 0.00 C ATOM 206 CG ASP A 22 51.599 22.830 28.537 1.00 0.00 C ATOM 207 OD1 ASP A 22 51.743 21.782 27.854 1.00 0.00 O ATOM 208 OD2 ASP A 22 52.259 23.025 29.593 1.00 0.00 O ATOM 0 H ASP A 22 50.279 25.115 25.462 1.00 0.00 H new ATOM 0 HA ASP A 22 50.641 23.072 26.108 1.00 0.00 H new ATOM 0 HB2 ASP A 22 51.194 24.852 27.953 1.00 0.00 H new ATOM 0 HB3 ASP A 22 49.896 24.092 28.852 1.00 0.00 H new ATOM 213 N GLY A 23 48.294 22.146 25.736 1.00 0.00 N ATOM 214 CA GLY A 23 47.211 21.218 25.635 1.00 0.00 C ATOM 215 C GLY A 23 45.847 21.816 25.688 1.00 0.00 C ATOM 216 O GLY A 23 44.901 21.270 25.121 1.00 0.00 O ATOM 0 H GLY A 23 48.612 22.482 24.827 1.00 0.00 H new ATOM 0 HA2 GLY A 23 47.312 20.669 24.699 1.00 0.00 H new ATOM 0 HA3 GLY A 23 47.302 20.491 26.442 1.00 0.00 H new ATOM 220 N SER A 24 45.664 22.942 26.401 1.00 0.00 N ATOM 221 CA SER A 24 44.380 23.410 26.823 1.00 0.00 C ATOM 222 C SER A 24 43.829 24.535 26.016 1.00 0.00 C ATOM 223 O SER A 24 44.535 25.455 25.606 1.00 0.00 O ATOM 224 CB SER A 24 44.421 23.841 28.298 1.00 0.00 C ATOM 225 OG SER A 24 43.122 23.959 28.861 1.00 0.00 O ATOM 0 H SER A 24 46.433 23.545 26.693 1.00 0.00 H new ATOM 0 HA SER A 24 43.714 22.560 26.675 1.00 0.00 H new ATOM 0 HB2 SER A 24 44.998 23.115 28.871 1.00 0.00 H new ATOM 0 HB3 SER A 24 44.939 24.797 28.381 1.00 0.00 H new ATOM 0 HG SER A 24 43.196 24.233 29.799 1.00 0.00 H new ATOM 231 N LEU A 25 42.502 24.511 25.802 1.00 0.00 N ATOM 232 CA LEU A 25 41.721 25.616 25.338 1.00 0.00 C ATOM 233 C LEU A 25 41.155 26.311 26.528 1.00 0.00 C ATOM 234 O LEU A 25 41.452 27.477 26.785 1.00 0.00 O ATOM 235 CB LEU A 25 40.592 25.151 24.403 1.00 0.00 C ATOM 236 CG LEU A 25 41.090 24.517 23.093 1.00 0.00 C ATOM 237 CD1 LEU A 25 39.911 23.915 22.310 1.00 0.00 C ATOM 238 CD2 LEU A 25 41.851 25.529 22.220 1.00 0.00 C ATOM 0 H LEU A 25 41.942 23.673 25.962 1.00 0.00 H new ATOM 0 HA LEU A 25 42.354 26.293 24.764 1.00 0.00 H new ATOM 0 HB2 LEU A 25 39.970 24.429 24.932 1.00 0.00 H new ATOM 0 HB3 LEU A 25 39.957 26.004 24.164 1.00 0.00 H new ATOM 0 HG LEU A 25 41.788 23.722 23.357 1.00 0.00 H new ATOM 0 HD11 LEU A 25 40.278 23.470 21.385 1.00 0.00 H new ATOM 0 HD12 LEU A 25 39.426 23.148 22.915 1.00 0.00 H new ATOM 0 HD13 LEU A 25 39.192 24.700 22.075 1.00 0.00 H new ATOM 0 HD21 LEU A 25 42.185 25.041 21.305 1.00 0.00 H new ATOM 0 HD22 LEU A 25 41.192 26.360 21.968 1.00 0.00 H new ATOM 0 HD23 LEU A 25 42.715 25.904 22.768 1.00 0.00 H new ATOM 250 N GLY A 26 40.341 25.630 27.353 1.00 0.00 N ATOM 251 CA GLY A 26 39.927 26.079 28.646 1.00 0.00 C ATOM 252 C GLY A 26 38.450 26.245 28.746 1.00 0.00 C ATOM 253 O GLY A 26 37.975 27.154 29.424 1.00 0.00 O ATOM 0 H GLY A 26 39.952 24.720 27.106 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.261 25.365 29.399 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.412 27.029 28.870 1.00 0.00 H new ATOM 257 N ILE A 27 37.670 25.366 28.092 1.00 0.00 N ATOM 258 CA ILE A 27 36.246 25.463 28.007 1.00 0.00 C ATOM 259 C ILE A 27 35.588 24.278 28.625 1.00 0.00 C ATOM 260 O ILE A 27 35.813 23.127 28.254 1.00 0.00 O ATOM 261 CB ILE A 27 35.759 25.654 26.601 1.00 0.00 C ATOM 262 CG1 ILE A 27 36.669 24.983 25.557 1.00 0.00 C ATOM 263 CG2 ILE A 27 35.632 27.166 26.348 1.00 0.00 C ATOM 264 CD1 ILE A 27 36.130 25.074 24.130 1.00 0.00 C ATOM 0 H ILE A 27 38.047 24.555 27.602 1.00 0.00 H new ATOM 0 HA ILE A 27 35.968 26.355 28.568 1.00 0.00 H new ATOM 0 HB ILE A 27 34.790 25.166 26.491 1.00 0.00 H new ATOM 0 HG12 ILE A 27 37.655 25.446 25.595 1.00 0.00 H new ATOM 0 HG13 ILE A 27 36.800 23.934 25.821 1.00 0.00 H new ATOM 0 HG21 ILE A 27 35.279 27.336 25.331 1.00 0.00 H new ATOM 0 HG22 ILE A 27 34.922 27.595 27.055 1.00 0.00 H new ATOM 0 HG23 ILE A 27 36.605 27.640 26.478 1.00 0.00 H new ATOM 0 HD11 ILE A 27 36.822 24.580 23.448 1.00 0.00 H new ATOM 0 HD12 ILE A 27 35.157 24.585 24.077 1.00 0.00 H new ATOM 0 HD13 ILE A 27 36.026 26.121 23.847 1.00 0.00 H new ATOM 276 N SER A 28 34.692 24.527 29.597 1.00 0.00 N ATOM 277 CA SER A 28 33.744 23.564 30.064 1.00 0.00 C ATOM 278 C SER A 28 32.438 23.866 29.413 1.00 0.00 C ATOM 279 O SER A 28 31.948 24.990 29.503 1.00 0.00 O ATOM 280 CB SER A 28 33.495 23.630 31.580 1.00 0.00 C ATOM 281 OG SER A 28 34.633 23.182 32.301 1.00 0.00 O ATOM 0 H SER A 28 34.625 25.427 30.073 1.00 0.00 H new ATOM 0 HA SER A 28 34.146 22.579 29.826 1.00 0.00 H new ATOM 0 HB2 SER A 28 33.256 24.654 31.869 1.00 0.00 H new ATOM 0 HB3 SER A 28 32.632 23.016 31.838 1.00 0.00 H new ATOM 0 HG SER A 28 34.452 23.234 33.263 1.00 0.00 H new ATOM 287 N VAL A 29 31.829 22.881 28.729 1.00 0.00 N ATOM 288 CA VAL A 29 30.623 23.050 27.979 1.00 0.00 C ATOM 289 C VAL A 29 29.464 22.406 28.659 1.00 0.00 C ATOM 290 O VAL A 29 29.609 21.703 29.658 1.00 0.00 O ATOM 291 CB VAL A 29 30.761 22.582 26.560 1.00 0.00 C ATOM 292 CG1 VAL A 29 31.663 23.577 25.810 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.323 21.153 26.464 1.00 0.00 C ATOM 0 H VAL A 29 32.192 21.928 28.697 1.00 0.00 H new ATOM 0 HA VAL A 29 30.427 24.121 27.935 1.00 0.00 H new ATOM 0 HB VAL A 29 29.771 22.548 26.105 1.00 0.00 H new ATOM 0 HG11 VAL A 29 31.777 23.256 24.775 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.210 24.568 25.834 1.00 0.00 H new ATOM 0 HG13 VAL A 29 32.642 23.613 26.289 1.00 0.00 H new ATOM 0 HG21 VAL A 29 31.403 20.863 25.416 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.309 21.118 26.926 1.00 0.00 H new ATOM 0 HG23 VAL A 29 30.655 20.464 26.981 1.00 0.00 H new ATOM 303 N THR A 30 28.236 22.657 28.175 1.00 0.00 N ATOM 304 CA THR A 30 27.029 22.072 28.672 1.00 0.00 C ATOM 305 C THR A 30 26.034 22.048 27.563 1.00 0.00 C ATOM 306 O THR A 30 26.325 22.509 26.461 1.00 0.00 O ATOM 307 CB THR A 30 26.491 22.783 29.880 1.00 0.00 C ATOM 308 OG1 THR A 30 25.526 22.010 30.577 1.00 0.00 O ATOM 309 CG2 THR A 30 25.893 24.165 29.568 1.00 0.00 C ATOM 0 H THR A 30 28.076 23.299 27.399 1.00 0.00 H new ATOM 0 HA THR A 30 27.242 21.057 29.008 1.00 0.00 H new ATOM 0 HB THR A 30 27.365 22.930 30.515 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.206 22.511 31.356 1.00 0.00 H new ATOM 0 HG21 THR A 30 25.525 24.618 30.488 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.661 24.803 29.131 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.069 24.054 28.863 1.00 0.00 H new ATOM 317 N GLY A 31 24.822 21.513 27.796 1.00 0.00 N ATOM 318 CA GLY A 31 23.744 21.505 26.858 1.00 0.00 C ATOM 319 C GLY A 31 23.570 20.211 26.141 1.00 0.00 C ATOM 320 O GLY A 31 23.629 19.132 26.730 1.00 0.00 O ATOM 0 H GLY A 31 24.583 21.065 28.681 1.00 0.00 H new ATOM 0 HA2 GLY A 31 22.819 21.745 27.382 1.00 0.00 H new ATOM 0 HA3 GLY A 31 23.909 22.295 26.125 1.00 0.00 H new ATOM 324 N GLY A 32 23.304 20.293 24.826 1.00 0.00 N ATOM 325 CA GLY A 32 23.044 19.196 23.946 1.00 0.00 C ATOM 326 C GLY A 32 21.643 19.220 23.442 1.00 0.00 C ATOM 327 O GLY A 32 20.734 19.741 24.087 1.00 0.00 O ATOM 0 H GLY A 32 23.268 21.191 24.344 1.00 0.00 H new ATOM 0 HA2 GLY A 32 23.735 19.232 23.104 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.227 18.257 24.469 1.00 0.00 H new ATOM 331 N VAL A 33 21.397 18.654 22.246 1.00 0.00 N ATOM 332 CA VAL A 33 20.124 18.687 21.595 1.00 0.00 C ATOM 333 C VAL A 33 19.082 17.823 22.218 1.00 0.00 C ATOM 334 O VAL A 33 17.900 18.162 22.230 1.00 0.00 O ATOM 335 CB VAL A 33 20.271 18.417 20.127 1.00 0.00 C ATOM 336 CG1 VAL A 33 20.475 16.925 19.812 1.00 0.00 C ATOM 337 CG2 VAL A 33 19.064 18.976 19.356 1.00 0.00 C ATOM 0 H VAL A 33 22.110 18.156 21.714 1.00 0.00 H new ATOM 0 HA VAL A 33 19.750 19.702 21.732 1.00 0.00 H new ATOM 0 HB VAL A 33 21.175 18.930 19.799 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.575 16.791 18.735 1.00 0.00 H new ATOM 0 HG12 VAL A 33 21.378 16.569 20.308 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.616 16.357 20.170 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.186 18.772 18.292 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.151 18.500 19.715 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.998 20.052 19.514 1.00 0.00 H new ATOM 450 N GLY A 41 21.317 23.229 22.018 1.00 0.00 N ATOM 451 CA GLY A 41 22.583 23.830 21.732 1.00 0.00 C ATOM 452 C GLY A 41 23.611 23.450 22.740 1.00 0.00 C ATOM 453 O GLY A 41 23.296 22.867 23.777 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.915 23.525 20.740 1.00 0.00 H new ATOM 0 HA3 GLY A 41 22.475 24.914 21.712 1.00 0.00 H new ATOM 457 N ILE A 42 24.881 23.778 22.441 1.00 0.00 N ATOM 458 CA ILE A 42 25.998 23.601 23.315 1.00 0.00 C ATOM 459 C ILE A 42 26.315 24.954 23.850 1.00 0.00 C ATOM 460 O ILE A 42 26.362 25.928 23.100 1.00 0.00 O ATOM 461 CB ILE A 42 27.155 22.974 22.595 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.768 21.624 21.966 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.383 22.806 23.506 1.00 0.00 C ATOM 464 CD1 ILE A 42 26.450 20.515 22.967 1.00 0.00 C ATOM 0 H ILE A 42 25.141 24.187 21.544 1.00 0.00 H new ATOM 0 HA ILE A 42 25.772 22.916 24.132 1.00 0.00 H new ATOM 0 HB ILE A 42 27.426 23.661 21.793 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.900 21.774 21.325 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.584 21.291 21.325 1.00 0.00 H new ATOM 0 HG21 ILE A 42 29.195 22.348 22.941 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.701 23.782 23.872 1.00 0.00 H new ATOM 0 HG23 ILE A 42 28.124 22.168 24.351 1.00 0.00 H new ATOM 0 HD11 ILE A 42 26.189 19.604 22.429 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.322 20.329 23.594 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.612 20.820 23.593 1.00 0.00 H new ATOM 476 N TYR A 43 26.483 25.094 25.179 1.00 0.00 N ATOM 477 CA TYR A 43 26.648 26.364 25.813 1.00 0.00 C ATOM 478 C TYR A 43 27.864 26.335 26.674 1.00 0.00 C ATOM 479 O TYR A 43 28.291 25.275 27.128 1.00 0.00 O ATOM 480 CB TYR A 43 25.438 26.754 26.680 1.00 0.00 C ATOM 481 CG TYR A 43 24.181 26.785 25.879 1.00 0.00 C ATOM 482 CD1 TYR A 43 23.857 27.888 25.124 1.00 0.00 C ATOM 483 CD2 TYR A 43 23.331 25.705 25.881 1.00 0.00 C ATOM 484 CE1 TYR A 43 22.711 27.909 24.364 1.00 0.00 C ATOM 485 CE2 TYR A 43 22.182 25.719 25.125 1.00 0.00 C ATOM 486 CZ TYR A 43 21.873 26.819 24.362 1.00 0.00 C ATOM 487 OH TYR A 43 20.689 26.785 23.594 1.00 0.00 O ATOM 0 H TYR A 43 26.504 24.306 25.826 1.00 0.00 H new ATOM 0 HA TYR A 43 26.745 27.107 25.021 1.00 0.00 H new ATOM 0 HB2 TYR A 43 25.331 26.043 27.499 1.00 0.00 H new ATOM 0 HB3 TYR A 43 25.610 27.733 27.128 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.510 28.748 25.128 1.00 0.00 H new ATOM 0 HD2 TYR A 43 23.567 24.839 26.481 1.00 0.00 H new ATOM 0 HE1 TYR A 43 22.470 28.779 23.771 1.00 0.00 H new ATOM 0 HE2 TYR A 43 21.522 24.864 25.131 1.00 0.00 H new ATOM 0 HH TYR A 43 20.236 25.926 23.729 1.00 0.00 H new ATOM 497 N VAL A 44 28.493 27.493 26.945 1.00 0.00 N ATOM 498 CA VAL A 44 29.603 27.582 27.842 1.00 0.00 C ATOM 499 C VAL A 44 29.190 27.533 29.273 1.00 0.00 C ATOM 500 O VAL A 44 28.405 28.348 29.756 1.00 0.00 O ATOM 501 CB VAL A 44 30.520 28.734 27.559 1.00 0.00 C ATOM 502 CG1 VAL A 44 31.643 28.872 28.601 1.00 0.00 C ATOM 503 CG2 VAL A 44 31.170 28.468 26.190 1.00 0.00 C ATOM 0 H VAL A 44 28.225 28.386 26.532 1.00 0.00 H new ATOM 0 HA VAL A 44 30.192 26.685 27.650 1.00 0.00 H new ATOM 0 HB VAL A 44 29.936 29.654 27.584 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.275 29.722 28.344 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.207 29.029 29.588 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.244 27.963 28.610 1.00 0.00 H new ATOM 0 HG21 VAL A 44 31.848 29.285 25.944 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.728 27.533 26.228 1.00 0.00 H new ATOM 0 HG23 VAL A 44 30.395 28.397 25.427 1.00 0.00 H new ATOM 513 N LYS A 45 29.729 26.561 30.031 1.00 0.00 N ATOM 514 CA LYS A 45 29.469 26.374 31.425 1.00 0.00 C ATOM 515 C LYS A 45 30.455 27.090 32.282 1.00 0.00 C ATOM 516 O LYS A 45 30.070 27.784 33.222 1.00 0.00 O ATOM 517 CB LYS A 45 29.431 24.878 31.780 1.00 0.00 C ATOM 518 CG LYS A 45 28.900 24.602 33.188 1.00 0.00 C ATOM 519 CD LYS A 45 28.547 23.137 33.451 1.00 0.00 C ATOM 520 CE LYS A 45 29.736 22.174 33.435 1.00 0.00 C ATOM 521 NZ LYS A 45 29.298 20.810 33.806 1.00 0.00 N ATOM 0 H LYS A 45 30.378 25.871 29.652 1.00 0.00 H new ATOM 0 HA LYS A 45 28.489 26.806 31.627 1.00 0.00 H new ATOM 0 HB2 LYS A 45 28.807 24.356 31.055 1.00 0.00 H new ATOM 0 HB3 LYS A 45 30.436 24.465 31.691 1.00 0.00 H new ATOM 0 HG2 LYS A 45 29.648 24.920 33.915 1.00 0.00 H new ATOM 0 HG3 LYS A 45 28.013 25.213 33.356 1.00 0.00 H new ATOM 0 HD2 LYS A 45 28.054 23.066 34.420 1.00 0.00 H new ATOM 0 HD3 LYS A 45 27.825 22.812 32.702 1.00 0.00 H new ATOM 0 HE2 LYS A 45 30.188 22.161 32.443 1.00 0.00 H new ATOM 0 HE3 LYS A 45 30.501 22.519 34.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 30.115 20.167 33.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 28.887 20.825 34.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 28.584 20.478 33.127 1.00 0.00 H new ATOM 535 N ALA A 46 31.764 26.964 32.000 1.00 0.00 N ATOM 536 CA ALA A 46 32.776 27.613 32.775 1.00 0.00 C ATOM 537 C ALA A 46 34.038 27.743 31.994 1.00 0.00 C ATOM 538 O ALA A 46 34.229 27.054 30.993 1.00 0.00 O ATOM 539 CB ALA A 46 33.052 26.857 34.086 1.00 0.00 C ATOM 0 H ALA A 46 32.125 26.406 31.226 1.00 0.00 H new ATOM 0 HA ALA A 46 32.406 28.608 33.023 1.00 0.00 H new ATOM 0 HB1 ALA A 46 33.826 27.377 34.650 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.139 26.812 34.679 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.387 25.845 33.859 1.00 0.00 H new ATOM 545 N ILE A 47 34.941 28.641 32.426 1.00 0.00 N ATOM 546 CA ILE A 47 36.187 28.919 31.781 1.00 0.00 C ATOM 547 C ILE A 47 37.309 28.584 32.702 1.00 0.00 C ATOM 548 O ILE A 47 37.332 28.988 33.863 1.00 0.00 O ATOM 549 CB ILE A 47 36.214 30.306 31.212 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.753 30.302 29.771 1.00 0.00 C ATOM 551 CG2 ILE A 47 36.982 31.347 32.044 1.00 0.00 C ATOM 552 CD1 ILE A 47 35.813 29.656 28.754 1.00 0.00 C ATOM 0 H ILE A 47 34.795 29.201 33.266 1.00 0.00 H new ATOM 0 HA ILE A 47 36.314 28.279 30.908 1.00 0.00 H new ATOM 0 HB ILE A 47 35.171 30.621 31.232 1.00 0.00 H new ATOM 0 HG12 ILE A 47 36.950 31.330 29.466 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.707 29.775 29.753 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.940 32.315 31.544 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.529 31.429 33.032 1.00 0.00 H new ATOM 0 HG23 ILE A 47 38.022 31.036 32.146 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.267 29.694 27.764 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.635 28.617 29.032 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.866 30.195 28.740 1.00 0.00 H new ATOM 564 N ILE A 48 38.244 27.723 32.262 1.00 0.00 N ATOM 565 CA ILE A 48 39.334 27.211 33.033 1.00 0.00 C ATOM 566 C ILE A 48 40.464 28.166 33.214 1.00 0.00 C ATOM 567 O ILE A 48 41.035 28.539 32.191 1.00 0.00 O ATOM 568 CB ILE A 48 39.866 25.918 32.492 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.727 24.958 32.109 1.00 0.00 C ATOM 570 CG2 ILE A 48 40.815 25.261 33.508 1.00 0.00 C ATOM 571 CD1 ILE A 48 37.838 24.495 33.262 1.00 0.00 C ATOM 0 H ILE A 48 38.238 27.362 31.308 1.00 0.00 H new ATOM 0 HA ILE A 48 38.892 27.039 34.014 1.00 0.00 H new ATOM 0 HB ILE A 48 40.428 26.140 31.585 1.00 0.00 H new ATOM 0 HG12 ILE A 48 38.099 25.446 31.364 1.00 0.00 H new ATOM 0 HG13 ILE A 48 39.161 24.079 31.633 1.00 0.00 H new ATOM 0 HG21 ILE A 48 41.192 24.323 33.100 1.00 0.00 H new ATOM 0 HG22 ILE A 48 41.651 25.931 33.711 1.00 0.00 H new ATOM 0 HG23 ILE A 48 40.276 25.062 34.434 1.00 0.00 H new ATOM 0 HD11 ILE A 48 37.069 23.823 32.881 1.00 0.00 H new ATOM 0 HD12 ILE A 48 38.444 23.971 34.001 1.00 0.00 H new ATOM 0 HD13 ILE A 48 37.366 25.360 33.727 1.00 0.00 H new ATOM 583 N PRO A 49 40.901 28.578 34.368 1.00 0.00 N ATOM 584 CA PRO A 49 41.977 29.514 34.513 1.00 0.00 C ATOM 585 C PRO A 49 43.278 29.120 33.904 1.00 0.00 C ATOM 586 O PRO A 49 43.824 28.065 34.227 1.00 0.00 O ATOM 587 CB PRO A 49 42.129 29.706 36.020 1.00 0.00 C ATOM 588 CG PRO A 49 40.698 29.503 36.545 1.00 0.00 C ATOM 589 CD PRO A 49 40.198 28.378 35.625 1.00 0.00 C ATOM 0 HA PRO A 49 41.722 30.422 33.966 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.822 28.983 36.450 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.511 30.698 36.263 1.00 0.00 H new ATOM 0 HG2 PRO A 49 40.683 29.213 37.596 1.00 0.00 H new ATOM 0 HG3 PRO A 49 40.095 30.406 36.455 1.00 0.00 H new ATOM 0 HD2 PRO A 49 40.416 27.397 36.047 1.00 0.00 H new ATOM 0 HD3 PRO A 49 39.118 28.432 35.486 1.00 0.00 H new ATOM 597 N LYS A 50 43.794 29.969 32.998 1.00 0.00 N ATOM 598 CA LYS A 50 44.996 29.797 32.242 1.00 0.00 C ATOM 599 C LYS A 50 44.860 28.844 31.104 1.00 0.00 C ATOM 600 O LYS A 50 45.824 28.218 30.668 1.00 0.00 O ATOM 601 CB LYS A 50 46.279 29.597 33.066 1.00 0.00 C ATOM 602 CG LYS A 50 46.558 30.736 34.049 1.00 0.00 C ATOM 603 CD LYS A 50 46.839 32.063 33.341 1.00 0.00 C ATOM 604 CE LYS A 50 47.077 33.257 34.268 1.00 0.00 C ATOM 605 NZ LYS A 50 46.993 34.489 33.454 1.00 0.00 N ATOM 0 H LYS A 50 43.330 30.850 32.777 1.00 0.00 H new ATOM 0 HA LYS A 50 45.143 30.777 31.788 1.00 0.00 H new ATOM 0 HB2 LYS A 50 46.204 28.661 33.619 1.00 0.00 H new ATOM 0 HB3 LYS A 50 47.126 29.499 32.387 1.00 0.00 H new ATOM 0 HG2 LYS A 50 45.702 30.856 34.714 1.00 0.00 H new ATOM 0 HG3 LYS A 50 47.412 30.473 34.673 1.00 0.00 H new ATOM 0 HD2 LYS A 50 47.714 31.938 32.703 1.00 0.00 H new ATOM 0 HD3 LYS A 50 45.998 32.293 32.687 1.00 0.00 H new ATOM 0 HE2 LYS A 50 46.334 33.275 35.065 1.00 0.00 H new ATOM 0 HE3 LYS A 50 48.054 33.181 34.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 47.152 35.318 34.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 47.718 34.463 32.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 46.051 34.554 33.019 1.00 0.00 H new ATOM 619 N GLY A 51 43.655 28.772 30.513 1.00 0.00 N ATOM 620 CA GLY A 51 43.480 28.264 29.187 1.00 0.00 C ATOM 621 C GLY A 51 43.715 29.309 28.150 1.00 0.00 C ATOM 622 O GLY A 51 43.689 30.510 28.411 1.00 0.00 O ATOM 0 H GLY A 51 42.789 29.071 30.961 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.166 27.432 29.025 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.469 27.870 29.081 1.00 0.00 H new ATOM 626 N ALA A 52 43.932 28.882 26.893 1.00 0.00 N ATOM 627 CA ALA A 52 43.912 29.687 25.711 1.00 0.00 C ATOM 628 C ALA A 52 42.696 30.533 25.556 1.00 0.00 C ATOM 629 O ALA A 52 42.764 31.759 25.487 1.00 0.00 O ATOM 630 CB ALA A 52 44.109 28.785 24.480 1.00 0.00 C ATOM 0 H ALA A 52 44.136 27.904 26.689 1.00 0.00 H new ATOM 0 HA ALA A 52 44.735 30.396 25.806 1.00 0.00 H new ATOM 0 HB1 ALA A 52 44.094 29.394 23.576 1.00 0.00 H new ATOM 0 HB2 ALA A 52 45.067 28.271 24.555 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.305 28.050 24.435 1.00 0.00 H new ATOM 636 N ALA A 53 41.524 29.876 25.507 1.00 0.00 N ATOM 637 CA ALA A 53 40.204 30.388 25.302 1.00 0.00 C ATOM 638 C ALA A 53 39.807 31.337 26.381 1.00 0.00 C ATOM 639 O ALA A 53 39.372 32.456 26.116 1.00 0.00 O ATOM 640 CB ALA A 53 39.197 29.226 25.292 1.00 0.00 C ATOM 0 H ALA A 53 41.503 28.863 25.626 1.00 0.00 H new ATOM 0 HA ALA A 53 40.202 30.916 24.349 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.192 29.617 25.136 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.447 28.535 24.487 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.238 28.701 26.246 1.00 0.00 H new ATOM 646 N GLU A 54 40.009 30.896 27.636 1.00 0.00 N ATOM 647 CA GLU A 54 39.860 31.670 28.828 1.00 0.00 C ATOM 648 C GLU A 54 40.391 33.060 28.761 1.00 0.00 C ATOM 649 O GLU A 54 39.668 34.054 28.821 1.00 0.00 O ATOM 650 CB GLU A 54 40.549 30.931 29.988 1.00 0.00 C ATOM 651 CG GLU A 54 40.424 31.598 31.359 1.00 0.00 C ATOM 652 CD GLU A 54 41.522 32.574 31.758 1.00 0.00 C ATOM 653 OE1 GLU A 54 42.729 32.213 31.731 1.00 0.00 O ATOM 654 OE2 GLU A 54 41.183 33.724 32.145 1.00 0.00 O ATOM 0 H GLU A 54 40.295 29.936 27.829 1.00 0.00 H new ATOM 0 HA GLU A 54 38.785 31.775 28.976 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.134 29.925 30.053 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.607 30.824 29.750 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.472 32.128 31.392 1.00 0.00 H new ATOM 0 HG3 GLU A 54 40.378 30.813 32.114 1.00 0.00 H new ATOM 661 N SER A 55 41.726 33.162 28.636 1.00 0.00 N ATOM 662 CA SER A 55 42.429 34.407 28.631 1.00 0.00 C ATOM 663 C SER A 55 42.228 35.258 27.425 1.00 0.00 C ATOM 664 O SER A 55 42.655 36.412 27.404 1.00 0.00 O ATOM 665 CB SER A 55 43.940 34.174 28.801 1.00 0.00 C ATOM 666 OG SER A 55 44.257 33.807 30.135 1.00 0.00 O ATOM 0 H SER A 55 42.336 32.351 28.535 1.00 0.00 H new ATOM 0 HA SER A 55 41.999 34.952 29.472 1.00 0.00 H new ATOM 0 HB2 SER A 55 44.269 33.391 28.118 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.483 35.080 28.532 1.00 0.00 H new ATOM 0 HG SER A 55 43.592 33.168 30.465 1.00 0.00 H new ATOM 672 N ASP A 56 41.610 34.763 26.337 1.00 0.00 N ATOM 673 CA ASP A 56 41.334 35.535 25.166 1.00 0.00 C ATOM 674 C ASP A 56 40.185 36.460 25.385 1.00 0.00 C ATOM 675 O ASP A 56 40.322 37.675 25.263 1.00 0.00 O ATOM 676 CB ASP A 56 41.127 34.628 23.942 1.00 0.00 C ATOM 677 CG ASP A 56 41.001 35.458 22.673 1.00 0.00 C ATOM 678 OD1 ASP A 56 41.944 36.236 22.370 1.00 0.00 O ATOM 679 OD2 ASP A 56 39.936 35.361 22.005 1.00 0.00 O ATOM 0 H ASP A 56 41.293 33.796 26.271 1.00 0.00 H new ATOM 0 HA ASP A 56 42.204 36.158 24.958 1.00 0.00 H new ATOM 0 HB2 ASP A 56 41.965 33.937 23.849 1.00 0.00 H new ATOM 0 HB3 ASP A 56 40.230 34.024 24.078 1.00 0.00 H new ATOM 684 N GLY A 57 39.007 35.932 25.763 1.00 0.00 N ATOM 685 CA GLY A 57 37.919 36.755 26.191 1.00 0.00 C ATOM 686 C GLY A 57 36.854 36.985 25.176 1.00 0.00 C ATOM 687 O GLY A 57 35.854 37.642 25.458 1.00 0.00 O ATOM 0 H GLY A 57 38.808 34.932 25.772 1.00 0.00 H new ATOM 0 HA2 GLY A 57 37.466 36.300 27.072 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.317 37.721 26.501 1.00 0.00 H new ATOM 691 N ARG A 58 36.977 36.406 23.967 1.00 0.00 N ATOM 692 CA ARG A 58 35.872 36.269 23.070 1.00 0.00 C ATOM 693 C ARG A 58 34.857 35.326 23.616 1.00 0.00 C ATOM 694 O ARG A 58 33.653 35.510 23.438 1.00 0.00 O ATOM 695 CB ARG A 58 36.304 35.765 21.683 1.00 0.00 C ATOM 696 CG ARG A 58 37.112 36.750 20.833 1.00 0.00 C ATOM 697 CD ARG A 58 36.366 38.025 20.437 1.00 0.00 C ATOM 698 NE ARG A 58 37.113 38.706 19.342 1.00 0.00 N ATOM 699 CZ ARG A 58 38.325 39.320 19.477 1.00 0.00 C ATOM 700 NH1 ARG A 58 38.949 39.517 20.674 1.00 0.00 N ATOM 701 NH2 ARG A 58 38.988 39.800 18.384 1.00 0.00 N ATOM 0 H ARG A 58 37.854 36.029 23.608 1.00 0.00 H new ATOM 0 HA ARG A 58 35.443 37.266 22.964 1.00 0.00 H new ATOM 0 HB2 ARG A 58 36.896 34.859 21.815 1.00 0.00 H new ATOM 0 HB3 ARG A 58 35.410 35.483 21.126 1.00 0.00 H new ATOM 0 HG2 ARG A 58 38.011 37.029 21.383 1.00 0.00 H new ATOM 0 HG3 ARG A 58 37.438 36.241 19.926 1.00 0.00 H new ATOM 0 HD2 ARG A 58 35.355 37.783 20.109 1.00 0.00 H new ATOM 0 HD3 ARG A 58 36.272 38.688 21.297 1.00 0.00 H new ATOM 0 HE ARG A 58 36.684 38.714 18.417 1.00 0.00 H new ATOM 0 HH11 ARG A 58 38.509 39.198 21.537 1.00 0.00 H new ATOM 0 HH12 ARG A 58 39.856 39.984 20.706 1.00 0.00 H new ATOM 0 HH21 ARG A 58 38.578 39.702 17.455 1.00 0.00 H new ATOM 0 HH22 ARG A 58 39.893 40.257 18.496 1.00 0.00 H new ATOM 715 N ILE A 59 35.321 34.296 24.347 1.00 0.00 N ATOM 716 CA ILE A 59 34.532 33.263 24.941 1.00 0.00 C ATOM 717 C ILE A 59 34.126 33.639 26.324 1.00 0.00 C ATOM 718 O ILE A 59 34.948 33.770 27.229 1.00 0.00 O ATOM 719 CB ILE A 59 35.305 31.980 24.870 1.00 0.00 C ATOM 720 CG1 ILE A 59 35.460 31.597 23.388 1.00 0.00 C ATOM 721 CG2 ILE A 59 34.645 30.829 25.647 1.00 0.00 C ATOM 722 CD1 ILE A 59 36.314 30.358 23.124 1.00 0.00 C ATOM 0 H ILE A 59 36.317 34.179 24.535 1.00 0.00 H new ATOM 0 HA ILE A 59 33.599 33.123 24.395 1.00 0.00 H new ATOM 0 HB ILE A 59 36.274 32.143 25.341 1.00 0.00 H new ATOM 0 HG12 ILE A 59 34.469 31.432 22.966 1.00 0.00 H new ATOM 0 HG13 ILE A 59 35.897 32.441 22.855 1.00 0.00 H new ATOM 0 HG21 ILE A 59 35.255 29.931 25.554 1.00 0.00 H new ATOM 0 HG22 ILE A 59 34.559 31.102 26.699 1.00 0.00 H new ATOM 0 HG23 ILE A 59 33.652 30.637 25.239 1.00 0.00 H new ATOM 0 HD11 ILE A 59 36.362 30.171 22.051 1.00 0.00 H new ATOM 0 HD12 ILE A 59 37.320 30.521 23.510 1.00 0.00 H new ATOM 0 HD13 ILE A 59 35.869 29.497 23.623 1.00 0.00 H new ATOM 734 N HIS A 60 32.818 33.857 26.550 1.00 0.00 N ATOM 735 CA HIS A 60 32.243 34.212 27.811 1.00 0.00 C ATOM 736 C HIS A 60 31.366 33.143 28.364 1.00 0.00 C ATOM 737 O HIS A 60 30.819 32.286 27.673 1.00 0.00 O ATOM 738 CB HIS A 60 31.455 35.525 27.668 1.00 0.00 C ATOM 739 CG HIS A 60 31.841 36.598 28.642 1.00 0.00 C ATOM 740 ND1 HIS A 60 31.355 36.710 29.929 1.00 0.00 N ATOM 741 CD2 HIS A 60 32.669 37.663 28.470 1.00 0.00 C ATOM 742 CE1 HIS A 60 31.911 37.830 30.468 1.00 0.00 C ATOM 743 NE2 HIS A 60 32.710 38.437 29.610 1.00 0.00 N ATOM 0 H HIS A 60 32.121 33.781 25.809 1.00 0.00 H new ATOM 0 HA HIS A 60 33.062 34.344 28.518 1.00 0.00 H new ATOM 0 HB2 HIS A 60 31.591 35.906 26.656 1.00 0.00 H new ATOM 0 HB3 HIS A 60 30.393 35.310 27.787 1.00 0.00 H new ATOM 0 HD2 HIS A 60 33.219 37.873 27.565 1.00 0.00 H new ATOM 0 HE1 HIS A 60 31.722 38.178 31.473 1.00 0.00 H new ATOM 0 HE2 HIS A 60 33.243 39.294 29.759 1.00 0.00 H new ATOM 751 N LYS A 61 31.183 33.150 29.697 1.00 0.00 N ATOM 752 CA LYS A 61 30.375 32.193 30.388 1.00 0.00 C ATOM 753 C LYS A 61 28.925 32.370 30.093 1.00 0.00 C ATOM 754 O LYS A 61 28.376 33.467 30.181 1.00 0.00 O ATOM 755 CB LYS A 61 30.644 32.233 31.901 1.00 0.00 C ATOM 756 CG LYS A 61 29.979 31.102 32.688 1.00 0.00 C ATOM 757 CD LYS A 61 30.412 30.999 34.151 1.00 0.00 C ATOM 758 CE LYS A 61 29.853 32.088 35.070 1.00 0.00 C ATOM 759 NZ LYS A 61 30.135 31.760 36.485 1.00 0.00 N ATOM 0 H LYS A 61 31.610 33.842 30.312 1.00 0.00 H new ATOM 0 HA LYS A 61 30.658 31.207 30.020 1.00 0.00 H new ATOM 0 HB2 LYS A 61 31.720 32.192 32.068 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.296 33.188 32.295 1.00 0.00 H new ATOM 0 HG2 LYS A 61 28.898 31.240 32.652 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.196 30.156 32.192 1.00 0.00 H new ATOM 0 HD2 LYS A 61 30.106 30.027 34.537 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.501 31.031 34.195 1.00 0.00 H new ATOM 0 HE2 LYS A 61 30.298 33.050 34.817 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.778 32.184 34.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 29.750 32.507 37.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 29.690 30.851 36.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 31.163 31.691 36.627 1.00 0.00 H new ATOM 773 N GLY A 62 28.236 31.290 29.685 1.00 0.00 N ATOM 774 CA GLY A 62 26.856 31.340 29.314 1.00 0.00 C ATOM 775 C GLY A 62 26.612 31.640 27.876 1.00 0.00 C ATOM 776 O GLY A 62 25.462 31.826 27.481 1.00 0.00 O ATOM 0 H GLY A 62 28.648 30.360 29.611 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.393 30.383 29.556 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.358 32.097 29.919 1.00 0.00 H new ATOM 780 N ASP A 63 27.647 31.677 27.019 1.00 0.00 N ATOM 781 CA ASP A 63 27.421 31.871 25.619 1.00 0.00 C ATOM 782 C ASP A 63 26.997 30.630 24.912 1.00 0.00 C ATOM 783 O ASP A 63 26.992 29.533 25.467 1.00 0.00 O ATOM 784 CB ASP A 63 28.728 32.326 24.947 1.00 0.00 C ATOM 785 CG ASP A 63 29.177 33.732 25.314 1.00 0.00 C ATOM 786 OD1 ASP A 63 28.350 34.525 25.839 1.00 0.00 O ATOM 787 OD2 ASP A 63 30.368 34.033 25.036 1.00 0.00 O ATOM 0 H ASP A 63 28.626 31.575 27.288 1.00 0.00 H new ATOM 0 HA ASP A 63 26.625 32.612 25.545 1.00 0.00 H new ATOM 0 HB2 ASP A 63 29.520 31.626 25.213 1.00 0.00 H new ATOM 0 HB3 ASP A 63 28.603 32.270 23.866 1.00 0.00 H new ATOM 792 N ARG A 64 26.633 30.755 23.623 1.00 0.00 N ATOM 793 CA ARG A 64 26.297 29.667 22.758 1.00 0.00 C ATOM 794 C ARG A 64 27.435 29.345 21.853 1.00 0.00 C ATOM 795 O ARG A 64 28.163 30.204 21.357 1.00 0.00 O ATOM 796 CB ARG A 64 25.032 30.009 21.953 1.00 0.00 C ATOM 797 CG ARG A 64 24.575 28.954 20.944 1.00 0.00 C ATOM 798 CD ARG A 64 23.166 29.227 20.413 1.00 0.00 C ATOM 799 NE ARG A 64 22.928 28.345 19.235 1.00 0.00 N ATOM 800 CZ ARG A 64 22.851 28.796 17.949 1.00 0.00 C ATOM 801 NH1 ARG A 64 22.979 30.114 17.616 1.00 0.00 N ATOM 802 NH2 ARG A 64 22.628 27.914 16.932 1.00 0.00 N ATOM 0 H ARG A 64 26.570 31.662 23.161 1.00 0.00 H new ATOM 0 HA ARG A 64 26.094 28.784 23.364 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.217 30.190 22.654 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.207 30.943 21.419 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.276 28.926 20.110 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.599 27.971 21.414 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.424 29.033 21.188 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.064 30.274 20.129 1.00 0.00 H new ATOM 0 HE ARG A 64 22.816 27.345 19.400 1.00 0.00 H new ATOM 0 HH11 ARG A 64 23.140 30.811 18.344 1.00 0.00 H new ATOM 0 HH12 ARG A 64 22.914 30.402 16.640 1.00 0.00 H new ATOM 0 HH21 ARG A 64 22.519 26.920 17.134 1.00 0.00 H new ATOM 0 HH22 ARG A 64 22.570 28.249 15.970 1.00 0.00 H new ATOM 816 N VAL A 65 27.665 28.042 21.611 1.00 0.00 N ATOM 817 CA VAL A 65 28.695 27.548 20.750 1.00 0.00 C ATOM 818 C VAL A 65 28.064 27.214 19.442 1.00 0.00 C ATOM 819 O VAL A 65 26.988 26.618 19.406 1.00 0.00 O ATOM 820 CB VAL A 65 29.260 26.288 21.337 1.00 0.00 C ATOM 821 CG1 VAL A 65 30.496 25.852 20.531 1.00 0.00 C ATOM 822 CG2 VAL A 65 29.679 26.497 22.802 1.00 0.00 C ATOM 0 H VAL A 65 27.108 27.300 22.034 1.00 0.00 H new ATOM 0 HA VAL A 65 29.486 28.289 20.631 1.00 0.00 H new ATOM 0 HB VAL A 65 28.486 25.522 21.296 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.905 24.937 20.959 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.210 25.672 19.495 1.00 0.00 H new ATOM 0 HG13 VAL A 65 31.250 26.638 20.568 1.00 0.00 H new ATOM 0 HG21 VAL A 65 30.085 25.567 23.201 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.439 27.277 22.855 1.00 0.00 H new ATOM 0 HG23 VAL A 65 28.811 26.796 23.390 1.00 0.00 H new ATOM 832 N LEU A 66 28.672 27.572 18.296 1.00 0.00 N ATOM 833 CA LEU A 66 28.100 27.343 17.006 1.00 0.00 C ATOM 834 C LEU A 66 28.675 26.154 16.315 1.00 0.00 C ATOM 835 O LEU A 66 27.962 25.236 15.912 1.00 0.00 O ATOM 836 CB LEU A 66 28.273 28.581 16.111 1.00 0.00 C ATOM 837 CG LEU A 66 27.010 29.438 15.928 1.00 0.00 C ATOM 838 CD1 LEU A 66 25.992 28.775 14.985 1.00 0.00 C ATOM 839 CD2 LEU A 66 26.352 29.795 17.272 1.00 0.00 C ATOM 0 H LEU A 66 29.582 28.031 18.266 1.00 0.00 H new ATOM 0 HA LEU A 66 27.041 27.145 17.175 1.00 0.00 H new ATOM 0 HB2 LEU A 66 29.060 29.207 16.532 1.00 0.00 H new ATOM 0 HB3 LEU A 66 28.617 28.255 15.129 1.00 0.00 H new ATOM 0 HG LEU A 66 27.339 30.367 15.462 1.00 0.00 H new ATOM 0 HD11 LEU A 66 25.116 29.416 14.886 1.00 0.00 H new ATOM 0 HD12 LEU A 66 26.446 28.627 14.005 1.00 0.00 H new ATOM 0 HD13 LEU A 66 25.691 27.811 15.395 1.00 0.00 H new ATOM 0 HD21 LEU A 66 25.464 30.401 17.093 1.00 0.00 H new ATOM 0 HD22 LEU A 66 26.068 28.880 17.793 1.00 0.00 H new ATOM 0 HD23 LEU A 66 27.057 30.357 17.884 1.00 0.00 H new ATOM 851 N ALA A 67 30.004 26.132 16.113 1.00 0.00 N ATOM 852 CA ALA A 67 30.637 25.093 15.363 1.00 0.00 C ATOM 853 C ALA A 67 32.027 24.892 15.862 1.00 0.00 C ATOM 854 O ALA A 67 32.730 25.850 16.180 1.00 0.00 O ATOM 855 CB ALA A 67 30.692 25.418 13.860 1.00 0.00 C ATOM 0 H ALA A 67 30.645 26.840 16.472 1.00 0.00 H new ATOM 0 HA ALA A 67 30.045 24.188 15.495 1.00 0.00 H new ATOM 0 HB1 ALA A 67 31.181 24.601 13.329 1.00 0.00 H new ATOM 0 HB2 ALA A 67 29.679 25.544 13.478 1.00 0.00 H new ATOM 0 HB3 ALA A 67 31.255 26.339 13.707 1.00 0.00 H new ATOM 861 N VAL A 68 32.471 23.628 15.971 1.00 0.00 N ATOM 862 CA VAL A 68 33.792 23.310 16.418 1.00 0.00 C ATOM 863 C VAL A 68 34.579 22.770 15.273 1.00 0.00 C ATOM 864 O VAL A 68 34.305 21.692 14.747 1.00 0.00 O ATOM 865 CB VAL A 68 33.816 22.305 17.532 1.00 0.00 C ATOM 866 CG1 VAL A 68 35.260 22.035 17.989 1.00 0.00 C ATOM 867 CG2 VAL A 68 32.982 22.806 18.723 1.00 0.00 C ATOM 0 H VAL A 68 31.903 22.812 15.745 1.00 0.00 H new ATOM 0 HA VAL A 68 34.225 24.233 16.804 1.00 0.00 H new ATOM 0 HB VAL A 68 33.385 21.376 17.159 1.00 0.00 H new ATOM 0 HG11 VAL A 68 35.255 21.304 18.797 1.00 0.00 H new ATOM 0 HG12 VAL A 68 35.840 21.647 17.152 1.00 0.00 H new ATOM 0 HG13 VAL A 68 35.709 22.963 18.342 1.00 0.00 H new ATOM 0 HG21 VAL A 68 33.009 22.066 19.523 1.00 0.00 H new ATOM 0 HG22 VAL A 68 33.394 23.748 19.085 1.00 0.00 H new ATOM 0 HG23 VAL A 68 31.951 22.960 18.406 1.00 0.00 H new ATOM 877 N ASN A 69 35.610 23.511 14.829 1.00 0.00 N ATOM 878 CA ASN A 69 36.634 23.083 13.927 1.00 0.00 C ATOM 879 C ASN A 69 36.165 22.809 12.539 1.00 0.00 C ATOM 880 O ASN A 69 36.815 22.102 11.770 1.00 0.00 O ATOM 881 CB ASN A 69 37.465 21.954 14.556 1.00 0.00 C ATOM 882 CG ASN A 69 38.904 22.005 14.059 1.00 0.00 C ATOM 883 OD1 ASN A 69 39.586 23.006 14.271 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.375 20.911 13.404 1.00 0.00 N ATOM 0 H ASN A 69 35.736 24.480 15.123 1.00 0.00 H new ATOM 0 HA ASN A 69 37.304 23.930 13.778 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.447 22.044 15.642 1.00 0.00 H new ATOM 0 HB3 ASN A 69 37.023 20.989 14.308 1.00 0.00 H new ATOM 0 HD21 ASN A 69 40.336 20.895 13.063 1.00 0.00 H new ATOM 0 HD22 ASN A 69 38.767 20.106 13.254 1.00 0.00 H new ATOM 891 N GLY A 70 35.015 23.385 12.143 1.00 0.00 N ATOM 892 CA GLY A 70 34.379 23.149 10.885 1.00 0.00 C ATOM 893 C GLY A 70 33.151 22.312 11.007 1.00 0.00 C ATOM 894 O GLY A 70 32.355 22.224 10.073 1.00 0.00 O ATOM 0 H GLY A 70 34.505 24.047 12.729 1.00 0.00 H new ATOM 0 HA2 GLY A 70 34.118 24.104 10.430 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.083 22.658 10.213 1.00 0.00 H new ATOM 898 N VAL A 71 32.942 21.661 12.164 1.00 0.00 N ATOM 899 CA VAL A 71 31.845 20.773 12.399 1.00 0.00 C ATOM 900 C VAL A 71 30.731 21.527 13.040 1.00 0.00 C ATOM 901 O VAL A 71 30.858 22.054 14.145 1.00 0.00 O ATOM 902 CB VAL A 71 32.233 19.590 13.236 1.00 0.00 C ATOM 903 CG1 VAL A 71 31.054 18.618 13.413 1.00 0.00 C ATOM 904 CG2 VAL A 71 33.420 18.860 12.587 1.00 0.00 C ATOM 0 H VAL A 71 33.561 21.756 12.969 1.00 0.00 H new ATOM 0 HA VAL A 71 31.520 20.378 11.436 1.00 0.00 H new ATOM 0 HB VAL A 71 32.521 19.953 14.223 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.368 17.772 14.024 1.00 0.00 H new ATOM 0 HG12 VAL A 71 30.228 19.133 13.904 1.00 0.00 H new ATOM 0 HG13 VAL A 71 30.729 18.259 12.437 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.698 18.002 13.199 1.00 0.00 H new ATOM 0 HG22 VAL A 71 33.137 18.519 11.591 1.00 0.00 H new ATOM 0 HG23 VAL A 71 34.268 19.541 12.510 1.00 0.00 H new ATOM 914 N SER A 72 29.574 21.626 12.363 1.00 0.00 N ATOM 915 CA SER A 72 28.423 22.317 12.857 1.00 0.00 C ATOM 916 C SER A 72 27.735 21.542 13.927 1.00 0.00 C ATOM 917 O SER A 72 27.511 20.339 13.799 1.00 0.00 O ATOM 918 CB SER A 72 27.419 22.652 11.741 1.00 0.00 C ATOM 919 OG SER A 72 27.271 21.587 10.814 1.00 0.00 O ATOM 0 H SER A 72 29.434 21.212 11.441 1.00 0.00 H new ATOM 0 HA SER A 72 28.792 23.253 13.277 1.00 0.00 H new ATOM 0 HB2 SER A 72 26.450 22.883 12.184 1.00 0.00 H new ATOM 0 HB3 SER A 72 27.750 23.547 11.214 1.00 0.00 H new ATOM 0 HG SER A 72 26.624 21.842 10.124 1.00 0.00 H new ATOM 925 N LEU A 73 27.364 22.195 15.042 1.00 0.00 N ATOM 926 CA LEU A 73 26.834 21.532 16.193 1.00 0.00 C ATOM 927 C LEU A 73 25.360 21.325 16.134 1.00 0.00 C ATOM 928 O LEU A 73 24.691 21.114 17.144 1.00 0.00 O ATOM 929 CB LEU A 73 27.200 22.279 17.487 1.00 0.00 C ATOM 930 CG LEU A 73 28.707 22.315 17.791 1.00 0.00 C ATOM 931 CD1 LEU A 73 28.945 23.208 19.020 1.00 0.00 C ATOM 932 CD2 LEU A 73 29.309 20.920 18.034 1.00 0.00 C ATOM 0 H LEU A 73 27.434 23.207 15.147 1.00 0.00 H new ATOM 0 HA LEU A 73 27.298 20.546 16.197 1.00 0.00 H new ATOM 0 HB2 LEU A 73 26.830 23.302 17.419 1.00 0.00 H new ATOM 0 HB3 LEU A 73 26.683 21.808 18.323 1.00 0.00 H new ATOM 0 HG LEU A 73 29.209 22.719 16.912 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.011 23.241 19.245 1.00 0.00 H new ATOM 0 HD12 LEU A 73 28.587 24.216 18.812 1.00 0.00 H new ATOM 0 HD13 LEU A 73 28.406 22.801 19.875 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.375 21.015 18.243 1.00 0.00 H new ATOM 0 HD22 LEU A 73 28.813 20.453 18.884 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.167 20.303 17.147 1.00 0.00 H new ATOM 944 N GLU A 74 24.767 21.331 14.927 1.00 0.00 N ATOM 945 CA GLU A 74 23.390 21.029 14.690 1.00 0.00 C ATOM 946 C GLU A 74 23.081 19.596 14.950 1.00 0.00 C ATOM 947 O GLU A 74 23.672 18.692 14.359 1.00 0.00 O ATOM 948 CB GLU A 74 22.995 21.363 13.240 1.00 0.00 C ATOM 949 CG GLU A 74 22.889 22.861 12.953 1.00 0.00 C ATOM 950 CD GLU A 74 21.682 23.535 13.589 1.00 0.00 C ATOM 951 OE1 GLU A 74 20.864 22.890 14.298 1.00 0.00 O ATOM 952 OE2 GLU A 74 21.532 24.767 13.372 1.00 0.00 O ATOM 0 H GLU A 74 25.275 21.558 14.072 1.00 0.00 H new ATOM 0 HA GLU A 74 22.815 21.644 15.382 1.00 0.00 H new ATOM 0 HB2 GLU A 74 23.730 20.925 12.564 1.00 0.00 H new ATOM 0 HB3 GLU A 74 22.037 20.892 13.018 1.00 0.00 H new ATOM 0 HG2 GLU A 74 23.795 23.352 13.309 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.848 23.011 11.874 1.00 0.00 H new ATOM 959 N GLY A 75 22.167 19.327 15.900 1.00 0.00 N ATOM 960 CA GLY A 75 21.822 17.998 16.302 1.00 0.00 C ATOM 961 C GLY A 75 22.825 17.311 17.164 1.00 0.00 C ATOM 962 O GLY A 75 22.721 16.109 17.402 1.00 0.00 O ATOM 0 H GLY A 75 21.654 20.052 16.402 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.872 18.033 16.836 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.663 17.396 15.408 1.00 0.00 H new ATOM 966 N ALA A 76 23.865 18.017 17.642 1.00 0.00 N ATOM 967 CA ALA A 76 24.837 17.466 18.535 1.00 0.00 C ATOM 968 C ALA A 76 24.379 17.245 19.936 1.00 0.00 C ATOM 969 O ALA A 76 23.625 18.023 20.518 1.00 0.00 O ATOM 970 CB ALA A 76 26.136 18.289 18.531 1.00 0.00 C ATOM 0 H ALA A 76 24.035 18.994 17.402 1.00 0.00 H new ATOM 0 HA ALA A 76 25.020 16.470 18.131 1.00 0.00 H new ATOM 0 HB1 ALA A 76 26.852 17.842 19.221 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.558 18.299 17.526 1.00 0.00 H new ATOM 0 HB3 ALA A 76 25.920 19.311 18.844 1.00 0.00 H new ATOM 976 N THR A 77 24.868 16.165 20.569 1.00 0.00 N ATOM 977 CA THR A 77 24.735 15.918 21.972 1.00 0.00 C ATOM 978 C THR A 77 25.854 16.573 22.706 1.00 0.00 C ATOM 979 O THR A 77 26.758 17.156 22.110 1.00 0.00 O ATOM 980 CB THR A 77 24.678 14.459 22.311 1.00 0.00 C ATOM 981 OG1 THR A 77 25.872 13.768 21.976 1.00 0.00 O ATOM 982 CG2 THR A 77 23.529 13.795 21.532 1.00 0.00 C ATOM 0 H THR A 77 25.380 15.430 20.081 1.00 0.00 H new ATOM 0 HA THR A 77 23.781 16.345 22.282 1.00 0.00 H new ATOM 0 HB THR A 77 24.531 14.398 23.389 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.782 12.823 22.219 1.00 0.00 H new ATOM 0 HG21 THR A 77 23.488 12.734 21.779 1.00 0.00 H new ATOM 0 HG22 THR A 77 22.585 14.268 21.803 1.00 0.00 H new ATOM 0 HG23 THR A 77 23.699 13.912 20.462 1.00 0.00 H new ATOM 990 N HIS A 78 25.886 16.484 24.048 1.00 0.00 N ATOM 991 CA HIS A 78 27.001 16.921 24.829 1.00 0.00 C ATOM 992 C HIS A 78 28.236 16.146 24.526 1.00 0.00 C ATOM 993 O HIS A 78 29.296 16.714 24.265 1.00 0.00 O ATOM 994 CB HIS A 78 26.664 16.858 26.329 1.00 0.00 C ATOM 995 CG HIS A 78 27.800 17.070 27.284 1.00 0.00 C ATOM 996 ND1 HIS A 78 28.157 16.144 28.244 1.00 0.00 N ATOM 997 CD2 HIS A 78 28.633 18.128 27.470 1.00 0.00 C ATOM 998 CE1 HIS A 78 29.194 16.678 28.944 1.00 0.00 C ATOM 999 NE2 HIS A 78 29.498 17.891 28.519 1.00 0.00 N ATOM 0 H HIS A 78 25.120 16.100 24.602 1.00 0.00 H new ATOM 0 HA HIS A 78 27.204 17.958 24.560 1.00 0.00 H new ATOM 0 HB2 HIS A 78 25.900 17.607 26.538 1.00 0.00 H new ATOM 0 HB3 HIS A 78 26.221 15.884 26.538 1.00 0.00 H new ATOM 0 HD2 HIS A 78 28.620 19.031 26.878 1.00 0.00 H new ATOM 0 HE1 HIS A 78 29.706 16.172 29.749 1.00 0.00 H new ATOM 0 HE2 HIS A 78 30.216 18.516 28.886 1.00 0.00 H new ATOM 1007 N LYS A 79 28.129 14.806 24.473 1.00 0.00 N ATOM 1008 CA LYS A 79 29.154 13.883 24.097 1.00 0.00 C ATOM 1009 C LYS A 79 29.776 14.125 22.764 1.00 0.00 C ATOM 1010 O LYS A 79 30.997 14.073 22.632 1.00 0.00 O ATOM 1011 CB LYS A 79 28.570 12.465 24.219 1.00 0.00 C ATOM 1012 CG LYS A 79 29.577 11.314 24.286 1.00 0.00 C ATOM 1013 CD LYS A 79 29.758 10.588 22.951 1.00 0.00 C ATOM 1014 CE LYS A 79 30.322 9.173 23.096 1.00 0.00 C ATOM 1015 NZ LYS A 79 31.751 9.201 23.480 1.00 0.00 N ATOM 0 H LYS A 79 27.257 14.333 24.712 1.00 0.00 H new ATOM 0 HA LYS A 79 29.993 14.024 24.779 1.00 0.00 H new ATOM 0 HB2 LYS A 79 27.949 12.428 25.114 1.00 0.00 H new ATOM 0 HB3 LYS A 79 27.912 12.293 23.367 1.00 0.00 H new ATOM 0 HG2 LYS A 79 30.541 11.703 24.614 1.00 0.00 H new ATOM 0 HG3 LYS A 79 29.250 10.598 25.039 1.00 0.00 H new ATOM 0 HD2 LYS A 79 28.796 10.536 22.441 1.00 0.00 H new ATOM 0 HD3 LYS A 79 30.424 11.173 22.316 1.00 0.00 H new ATOM 0 HE2 LYS A 79 29.752 8.627 23.848 1.00 0.00 H new ATOM 0 HE3 LYS A 79 30.206 8.635 22.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 31.972 8.365 24.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 32.341 9.195 22.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 31.946 10.063 24.029 1.00 0.00 H new ATOM 1029 N GLN A 80 28.988 14.509 21.743 1.00 0.00 N ATOM 1030 CA GLN A 80 29.472 14.899 20.456 1.00 0.00 C ATOM 1031 C GLN A 80 30.415 16.054 20.473 1.00 0.00 C ATOM 1032 O GLN A 80 31.504 15.999 19.904 1.00 0.00 O ATOM 1033 CB GLN A 80 28.324 15.321 19.525 1.00 0.00 C ATOM 1034 CG GLN A 80 27.461 14.173 18.999 1.00 0.00 C ATOM 1035 CD GLN A 80 28.232 13.238 18.079 1.00 0.00 C ATOM 1036 OE1 GLN A 80 28.508 12.083 18.400 1.00 0.00 O ATOM 1037 NE2 GLN A 80 28.602 13.759 16.878 1.00 0.00 N ATOM 0 H GLN A 80 27.972 14.549 21.818 1.00 0.00 H new ATOM 0 HA GLN A 80 29.992 14.008 20.104 1.00 0.00 H new ATOM 0 HB2 GLN A 80 27.683 16.022 20.059 1.00 0.00 H new ATOM 0 HB3 GLN A 80 28.745 15.858 18.675 1.00 0.00 H new ATOM 0 HG2 GLN A 80 27.066 13.605 19.841 1.00 0.00 H new ATOM 0 HG3 GLN A 80 26.606 14.583 18.461 1.00 0.00 H new ATOM 0 HE21 GLN A 80 28.357 14.721 16.642 1.00 0.00 H new ATOM 0 HE22 GLN A 80 29.124 13.188 16.213 1.00 0.00 H new ATOM 1046 N ALA A 81 30.028 17.159 21.134 1.00 0.00 N ATOM 1047 CA ALA A 81 30.797 18.362 21.228 1.00 0.00 C ATOM 1048 C ALA A 81 32.047 18.193 22.021 1.00 0.00 C ATOM 1049 O ALA A 81 33.081 18.757 21.667 1.00 0.00 O ATOM 1050 CB ALA A 81 29.927 19.464 21.856 1.00 0.00 C ATOM 0 H ALA A 81 29.137 17.217 21.626 1.00 0.00 H new ATOM 0 HA ALA A 81 31.102 18.636 20.218 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.505 20.385 21.932 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.051 19.636 21.231 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.608 19.153 22.851 1.00 0.00 H new ATOM 1056 N VAL A 82 32.033 17.365 23.081 1.00 0.00 N ATOM 1057 CA VAL A 82 33.185 17.013 23.854 1.00 0.00 C ATOM 1058 C VAL A 82 34.160 16.244 23.032 1.00 0.00 C ATOM 1059 O VAL A 82 35.341 16.587 22.987 1.00 0.00 O ATOM 1060 CB VAL A 82 32.842 16.244 25.095 1.00 0.00 C ATOM 1061 CG1 VAL A 82 34.102 15.757 25.830 1.00 0.00 C ATOM 1062 CG2 VAL A 82 32.043 17.164 26.034 1.00 0.00 C ATOM 0 H VAL A 82 31.178 16.920 23.415 1.00 0.00 H new ATOM 0 HA VAL A 82 33.639 17.952 24.171 1.00 0.00 H new ATOM 0 HB VAL A 82 32.259 15.369 24.808 1.00 0.00 H new ATOM 0 HG11 VAL A 82 33.811 15.204 26.723 1.00 0.00 H new ATOM 0 HG12 VAL A 82 34.678 15.106 25.172 1.00 0.00 H new ATOM 0 HG13 VAL A 82 34.711 16.615 26.116 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.785 16.620 26.943 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.647 18.034 26.291 1.00 0.00 H new ATOM 0 HG23 VAL A 82 31.131 17.490 25.534 1.00 0.00 H new ATOM 1072 N GLU A 83 33.713 15.207 22.301 1.00 0.00 N ATOM 1073 CA GLU A 83 34.572 14.460 21.436 1.00 0.00 C ATOM 1074 C GLU A 83 35.219 15.294 20.385 1.00 0.00 C ATOM 1075 O GLU A 83 36.424 15.213 20.149 1.00 0.00 O ATOM 1076 CB GLU A 83 33.861 13.312 20.699 1.00 0.00 C ATOM 1077 CG GLU A 83 33.597 12.086 21.577 1.00 0.00 C ATOM 1078 CD GLU A 83 33.181 10.883 20.742 1.00 0.00 C ATOM 1079 OE1 GLU A 83 32.921 11.001 19.515 1.00 0.00 O ATOM 1080 OE2 GLU A 83 33.144 9.768 21.329 1.00 0.00 O ATOM 0 H GLU A 83 32.746 14.883 22.310 1.00 0.00 H new ATOM 0 HA GLU A 83 35.318 14.061 22.124 1.00 0.00 H new ATOM 0 HB2 GLU A 83 32.912 13.677 20.306 1.00 0.00 H new ATOM 0 HB3 GLU A 83 34.466 13.012 19.844 1.00 0.00 H new ATOM 0 HG2 GLU A 83 34.495 11.843 22.145 1.00 0.00 H new ATOM 0 HG3 GLU A 83 32.815 12.316 22.300 1.00 0.00 H new ATOM 1087 N THR A 84 34.404 16.155 19.751 1.00 0.00 N ATOM 1088 CA THR A 84 34.771 17.088 18.731 1.00 0.00 C ATOM 1089 C THR A 84 35.746 18.109 19.208 1.00 0.00 C ATOM 1090 O THR A 84 36.728 18.386 18.521 1.00 0.00 O ATOM 1091 CB THR A 84 33.550 17.748 18.163 1.00 0.00 C ATOM 1092 OG1 THR A 84 32.678 16.782 17.594 1.00 0.00 O ATOM 1093 CG2 THR A 84 33.881 18.731 17.028 1.00 0.00 C ATOM 0 H THR A 84 33.409 16.201 19.970 1.00 0.00 H new ATOM 0 HA THR A 84 35.271 16.521 17.946 1.00 0.00 H new ATOM 0 HB THR A 84 33.093 18.277 18.999 1.00 0.00 H new ATOM 0 HG1 THR A 84 32.237 16.277 18.309 1.00 0.00 H new ATOM 0 HG21 THR A 84 32.960 19.179 16.655 1.00 0.00 H new ATOM 0 HG22 THR A 84 34.539 19.514 17.405 1.00 0.00 H new ATOM 0 HG23 THR A 84 34.379 18.198 16.218 1.00 0.00 H new ATOM 1101 N LEU A 85 35.562 18.688 20.408 1.00 0.00 N ATOM 1102 CA LEU A 85 36.515 19.554 21.030 1.00 0.00 C ATOM 1103 C LEU A 85 37.829 18.913 21.321 1.00 0.00 C ATOM 1104 O LEU A 85 38.886 19.496 21.086 1.00 0.00 O ATOM 1105 CB LEU A 85 35.999 20.078 22.381 1.00 0.00 C ATOM 1106 CG LEU A 85 35.046 21.283 22.311 1.00 0.00 C ATOM 1107 CD1 LEU A 85 34.508 21.572 23.723 1.00 0.00 C ATOM 1108 CD2 LEU A 85 35.750 22.524 21.738 1.00 0.00 C ATOM 0 H LEU A 85 34.719 18.548 20.965 1.00 0.00 H new ATOM 0 HA LEU A 85 36.653 20.350 20.298 1.00 0.00 H new ATOM 0 HB2 LEU A 85 35.488 19.263 22.894 1.00 0.00 H new ATOM 0 HB3 LEU A 85 36.857 20.352 22.995 1.00 0.00 H new ATOM 0 HG LEU A 85 34.220 21.043 21.641 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.830 22.425 23.687 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.972 20.698 24.094 1.00 0.00 H new ATOM 0 HD13 LEU A 85 35.340 21.798 24.390 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.048 23.357 21.703 1.00 0.00 H new ATOM 0 HD22 LEU A 85 36.595 22.789 22.373 1.00 0.00 H new ATOM 0 HD23 LEU A 85 36.107 22.307 20.731 1.00 0.00 H new ATOM 1120 N ARG A 86 37.835 17.691 21.884 1.00 0.00 N ATOM 1121 CA ARG A 86 39.050 17.029 22.244 1.00 0.00 C ATOM 1122 C ARG A 86 39.824 16.512 21.081 1.00 0.00 C ATOM 1123 O ARG A 86 41.052 16.472 21.114 1.00 0.00 O ATOM 1124 CB ARG A 86 38.806 15.993 23.354 1.00 0.00 C ATOM 1125 CG ARG A 86 38.292 16.690 24.616 1.00 0.00 C ATOM 1126 CD ARG A 86 38.395 15.882 25.911 1.00 0.00 C ATOM 1127 NE ARG A 86 39.832 15.836 26.305 1.00 0.00 N ATOM 1128 CZ ARG A 86 40.480 16.816 27.000 1.00 0.00 C ATOM 1129 NH1 ARG A 86 39.884 17.976 27.403 1.00 0.00 N ATOM 1130 NH2 ARG A 86 41.804 16.631 27.277 1.00 0.00 N ATOM 0 H ARG A 86 36.990 17.158 22.091 1.00 0.00 H new ATOM 0 HA ARG A 86 39.713 17.785 22.665 1.00 0.00 H new ATOM 0 HB2 ARG A 86 38.082 15.251 23.018 1.00 0.00 H new ATOM 0 HB3 ARG A 86 39.730 15.459 23.574 1.00 0.00 H new ATOM 0 HG2 ARG A 86 38.845 17.620 24.745 1.00 0.00 H new ATOM 0 HG3 ARG A 86 37.247 16.959 24.460 1.00 0.00 H new ATOM 0 HD2 ARG A 86 37.798 16.343 26.698 1.00 0.00 H new ATOM 0 HD3 ARG A 86 38.006 14.874 25.765 1.00 0.00 H new ATOM 0 HE ARG A 86 40.370 15.012 26.036 1.00 0.00 H new ATOM 0 HH11 ARG A 86 38.902 18.147 27.187 1.00 0.00 H new ATOM 0 HH12 ARG A 86 40.421 18.672 27.920 1.00 0.00 H new ATOM 0 HH21 ARG A 86 42.276 15.782 26.967 1.00 0.00 H new ATOM 0 HH22 ARG A 86 42.321 17.342 27.794 1.00 0.00 H new ATOM 1144 N ASN A 87 39.168 16.180 19.955 1.00 0.00 N ATOM 1145 CA ASN A 87 39.790 15.828 18.716 1.00 0.00 C ATOM 1146 C ASN A 87 40.143 17.028 17.907 1.00 0.00 C ATOM 1147 O ASN A 87 39.844 17.135 16.719 1.00 0.00 O ATOM 1148 CB ASN A 87 38.834 14.865 17.991 1.00 0.00 C ATOM 1149 CG ASN A 87 39.379 14.264 16.703 1.00 0.00 C ATOM 1150 OD1 ASN A 87 40.539 13.882 16.569 1.00 0.00 O ATOM 1151 ND2 ASN A 87 38.473 14.164 15.692 1.00 0.00 N ATOM 0 H ASN A 87 38.149 16.156 19.907 1.00 0.00 H new ATOM 0 HA ASN A 87 40.745 15.332 18.889 1.00 0.00 H new ATOM 0 HB2 ASN A 87 38.575 14.054 18.671 1.00 0.00 H new ATOM 0 HB3 ASN A 87 37.910 15.397 17.763 1.00 0.00 H new ATOM 0 HD21 ASN A 87 38.751 13.764 14.796 1.00 0.00 H new ATOM 0 HD22 ASN A 87 37.516 14.489 15.831 1.00 0.00 H new ATOM 1158 N THR A 88 40.834 18.008 18.517 1.00 0.00 N ATOM 1159 CA THR A 88 41.357 19.188 17.901 1.00 0.00 C ATOM 1160 C THR A 88 42.839 19.082 17.774 1.00 0.00 C ATOM 1161 O THR A 88 43.506 18.454 18.593 1.00 0.00 O ATOM 1162 CB THR A 88 41.041 20.455 18.639 1.00 0.00 C ATOM 1163 OG1 THR A 88 41.207 20.326 20.043 1.00 0.00 O ATOM 1164 CG2 THR A 88 39.585 20.868 18.365 1.00 0.00 C ATOM 0 H THR A 88 41.042 17.971 19.515 1.00 0.00 H new ATOM 0 HA THR A 88 40.872 19.248 16.927 1.00 0.00 H new ATOM 0 HB THR A 88 41.741 21.209 18.279 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.334 20.180 20.464 1.00 0.00 H new ATOM 0 HG21 THR A 88 39.361 21.789 18.903 1.00 0.00 H new ATOM 0 HG22 THR A 88 39.448 21.030 17.296 1.00 0.00 H new ATOM 0 HG23 THR A 88 38.913 20.078 18.701 1.00 0.00 H new ATOM 1172 N GLY A 89 43.426 19.715 16.744 1.00 0.00 N ATOM 1173 CA GLY A 89 44.844 19.809 16.579 1.00 0.00 C ATOM 1174 C GLY A 89 45.430 20.956 17.327 1.00 0.00 C ATOM 1175 O GLY A 89 44.902 21.388 18.351 1.00 0.00 O ATOM 0 H GLY A 89 42.899 20.176 16.003 1.00 0.00 H new ATOM 0 HA2 GLY A 89 45.308 18.883 16.918 1.00 0.00 H new ATOM 0 HA3 GLY A 89 45.077 19.913 15.519 1.00 0.00 H new ATOM 1179 N GLN A 90 46.576 21.496 16.872 1.00 0.00 N ATOM 1180 CA GLN A 90 47.220 22.615 17.486 1.00 0.00 C ATOM 1181 C GLN A 90 46.460 23.889 17.351 1.00 0.00 C ATOM 1182 O GLN A 90 46.176 24.561 18.342 1.00 0.00 O ATOM 1183 CB GLN A 90 48.643 22.777 16.924 1.00 0.00 C ATOM 1184 CG GLN A 90 49.450 23.912 17.560 1.00 0.00 C ATOM 1185 CD GLN A 90 50.889 23.903 17.068 1.00 0.00 C ATOM 1186 OE1 GLN A 90 51.209 24.341 15.964 1.00 0.00 O ATOM 1187 NE2 GLN A 90 51.806 23.379 17.924 1.00 0.00 N ATOM 0 H GLN A 90 47.069 21.143 16.052 1.00 0.00 H new ATOM 0 HA GLN A 90 47.263 22.401 18.554 1.00 0.00 H new ATOM 0 HB2 GLN A 90 49.184 21.841 17.063 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.578 22.951 15.850 1.00 0.00 H new ATOM 0 HG2 GLN A 90 48.987 24.870 17.322 1.00 0.00 H new ATOM 0 HG3 GLN A 90 49.433 23.811 18.645 1.00 0.00 H new ATOM 0 HE21 GLN A 90 51.510 23.023 18.833 1.00 0.00 H new ATOM 0 HE22 GLN A 90 52.790 23.341 17.657 1.00 0.00 H new ATOM 1196 N VAL A 91 46.094 24.266 16.112 1.00 0.00 N ATOM 1197 CA VAL A 91 45.256 25.392 15.844 1.00 0.00 C ATOM 1198 C VAL A 91 43.846 24.917 15.767 1.00 0.00 C ATOM 1199 O VAL A 91 43.548 23.863 15.206 1.00 0.00 O ATOM 1200 CB VAL A 91 45.616 26.112 14.578 1.00 0.00 C ATOM 1201 CG1 VAL A 91 44.731 27.348 14.344 1.00 0.00 C ATOM 1202 CG2 VAL A 91 47.091 26.542 14.642 1.00 0.00 C ATOM 0 H VAL A 91 46.391 23.771 15.271 1.00 0.00 H new ATOM 0 HA VAL A 91 45.393 26.109 16.654 1.00 0.00 H new ATOM 0 HB VAL A 91 45.453 25.427 13.746 1.00 0.00 H new ATOM 0 HG11 VAL A 91 45.028 27.838 13.416 1.00 0.00 H new ATOM 0 HG12 VAL A 91 43.688 27.041 14.274 1.00 0.00 H new ATOM 0 HG13 VAL A 91 44.850 28.043 15.175 1.00 0.00 H new ATOM 0 HG21 VAL A 91 47.357 27.066 13.724 1.00 0.00 H new ATOM 0 HG22 VAL A 91 47.240 27.205 15.494 1.00 0.00 H new ATOM 0 HG23 VAL A 91 47.722 25.661 14.753 1.00 0.00 H new ATOM 1212 N VAL A 92 42.918 25.666 16.390 1.00 0.00 N ATOM 1213 CA VAL A 92 41.555 25.293 16.607 1.00 0.00 C ATOM 1214 C VAL A 92 40.663 26.338 16.033 1.00 0.00 C ATOM 1215 O VAL A 92 40.784 27.524 16.336 1.00 0.00 O ATOM 1216 CB VAL A 92 41.338 25.158 18.085 1.00 0.00 C ATOM 1217 CG1 VAL A 92 39.873 24.807 18.395 1.00 0.00 C ATOM 1218 CG2 VAL A 92 42.241 24.016 18.582 1.00 0.00 C ATOM 0 H VAL A 92 43.134 26.590 16.765 1.00 0.00 H new ATOM 0 HA VAL A 92 41.327 24.345 16.120 1.00 0.00 H new ATOM 0 HB VAL A 92 41.574 26.101 18.578 1.00 0.00 H new ATOM 0 HG11 VAL A 92 39.741 24.715 19.473 1.00 0.00 H new ATOM 0 HG12 VAL A 92 39.222 25.595 18.016 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.616 23.862 17.916 1.00 0.00 H new ATOM 0 HG21 VAL A 92 42.109 23.889 19.656 1.00 0.00 H new ATOM 0 HG22 VAL A 92 41.972 23.091 18.072 1.00 0.00 H new ATOM 0 HG23 VAL A 92 43.283 24.258 18.371 1.00 0.00 H new ATOM 1228 N HIS A 93 39.708 25.962 15.163 1.00 0.00 N ATOM 1229 CA HIS A 93 38.827 26.893 14.527 1.00 0.00 C ATOM 1230 C HIS A 93 37.446 26.874 15.085 1.00 0.00 C ATOM 1231 O HIS A 93 36.608 26.076 14.668 1.00 0.00 O ATOM 1232 CB HIS A 93 38.695 26.564 13.030 1.00 0.00 C ATOM 1233 CG HIS A 93 39.966 26.627 12.237 1.00 0.00 C ATOM 1234 ND1 HIS A 93 40.047 26.139 10.949 1.00 0.00 N ATOM 1235 CD2 HIS A 93 41.171 27.203 12.492 1.00 0.00 C ATOM 1236 CE1 HIS A 93 41.290 26.445 10.487 1.00 0.00 C ATOM 1237 NE2 HIS A 93 41.999 27.093 11.394 1.00 0.00 N ATOM 0 H HIS A 93 39.544 24.991 14.896 1.00 0.00 H new ATOM 0 HA HIS A 93 39.271 27.874 14.699 1.00 0.00 H new ATOM 0 HB2 HIS A 93 38.276 25.562 12.932 1.00 0.00 H new ATOM 0 HB3 HIS A 93 37.977 27.254 12.587 1.00 0.00 H new ATOM 0 HD2 HIS A 93 41.442 27.679 13.423 1.00 0.00 H new ATOM 0 HE1 HIS A 93 41.652 26.190 9.502 1.00 0.00 H new ATOM 0 HE2 HIS A 93 42.954 27.438 11.302 1.00 0.00 H new ATOM 1245 N LEU A 94 37.081 27.752 16.037 1.00 0.00 N ATOM 1246 CA LEU A 94 35.741 27.793 16.533 1.00 0.00 C ATOM 1247 C LEU A 94 34.885 28.793 15.836 1.00 0.00 C ATOM 1248 O LEU A 94 35.352 29.814 15.334 1.00 0.00 O ATOM 1249 CB LEU A 94 35.684 28.148 18.028 1.00 0.00 C ATOM 1250 CG LEU A 94 36.481 27.246 18.987 1.00 0.00 C ATOM 1251 CD1 LEU A 94 36.133 27.600 20.442 1.00 0.00 C ATOM 1252 CD2 LEU A 94 36.272 25.741 18.750 1.00 0.00 C ATOM 0 H LEU A 94 37.712 28.431 16.462 1.00 0.00 H new ATOM 0 HA LEU A 94 35.366 26.786 16.352 1.00 0.00 H new ATOM 0 HB2 LEU A 94 36.041 29.171 18.148 1.00 0.00 H new ATOM 0 HB3 LEU A 94 34.640 28.137 18.340 1.00 0.00 H new ATOM 0 HG LEU A 94 37.534 27.440 18.785 1.00 0.00 H new ATOM 0 HD11 LEU A 94 36.699 26.959 21.118 1.00 0.00 H new ATOM 0 HD12 LEU A 94 36.386 28.643 20.633 1.00 0.00 H new ATOM 0 HD13 LEU A 94 35.066 27.449 20.608 1.00 0.00 H new ATOM 0 HD21 LEU A 94 36.867 25.174 19.466 1.00 0.00 H new ATOM 0 HD22 LEU A 94 35.218 25.495 18.879 1.00 0.00 H new ATOM 0 HD23 LEU A 94 36.582 25.486 17.737 1.00 0.00 H new ATOM 1264 N LEU A 95 33.562 28.552 15.814 1.00 0.00 N ATOM 1265 CA LEU A 95 32.576 29.565 15.595 1.00 0.00 C ATOM 1266 C LEU A 95 31.746 29.667 16.828 1.00 0.00 C ATOM 1267 O LEU A 95 31.418 28.666 17.464 1.00 0.00 O ATOM 1268 CB LEU A 95 31.697 29.283 14.364 1.00 0.00 C ATOM 1269 CG LEU A 95 30.802 30.452 13.919 1.00 0.00 C ATOM 1270 CD1 LEU A 95 31.613 31.649 13.396 1.00 0.00 C ATOM 1271 CD2 LEU A 95 29.817 29.992 12.831 1.00 0.00 C ATOM 0 H LEU A 95 33.165 27.623 15.953 1.00 0.00 H new ATOM 0 HA LEU A 95 33.080 30.509 15.388 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.343 29.004 13.532 1.00 0.00 H new ATOM 0 HB3 LEU A 95 31.064 28.422 14.579 1.00 0.00 H new ATOM 0 HG LEU A 95 30.255 30.779 14.803 1.00 0.00 H new ATOM 0 HD11 LEU A 95 30.933 32.446 13.095 1.00 0.00 H new ATOM 0 HD12 LEU A 95 32.273 32.013 14.183 1.00 0.00 H new ATOM 0 HD13 LEU A 95 32.209 31.338 12.538 1.00 0.00 H new ATOM 0 HD21 LEU A 95 29.192 30.832 12.528 1.00 0.00 H new ATOM 0 HD22 LEU A 95 30.373 29.624 11.969 1.00 0.00 H new ATOM 0 HD23 LEU A 95 29.187 29.194 13.224 1.00 0.00 H new ATOM 1283 N LEU A 96 31.411 30.905 17.234 1.00 0.00 N ATOM 1284 CA LEU A 96 30.896 31.231 18.526 1.00 0.00 C ATOM 1285 C LEU A 96 29.785 32.214 18.395 1.00 0.00 C ATOM 1286 O LEU A 96 29.774 32.970 17.424 1.00 0.00 O ATOM 1287 CB LEU A 96 32.075 31.873 19.277 1.00 0.00 C ATOM 1288 CG LEU A 96 32.133 31.679 20.802 1.00 0.00 C ATOM 1289 CD1 LEU A 96 31.006 32.394 21.565 1.00 0.00 C ATOM 1290 CD2 LEU A 96 32.350 30.200 21.166 1.00 0.00 C ATOM 0 H LEU A 96 31.505 31.720 16.628 1.00 0.00 H new ATOM 0 HA LEU A 96 30.504 30.357 19.045 1.00 0.00 H new ATOM 0 HB2 LEU A 96 32.999 31.480 18.852 1.00 0.00 H new ATOM 0 HB3 LEU A 96 32.061 32.944 19.074 1.00 0.00 H new ATOM 0 HG LEU A 96 33.019 32.200 21.166 1.00 0.00 H new ATOM 0 HD11 LEU A 96 31.116 32.209 22.634 1.00 0.00 H new ATOM 0 HD12 LEU A 96 31.061 33.466 21.374 1.00 0.00 H new ATOM 0 HD13 LEU A 96 30.041 32.014 21.229 1.00 0.00 H new ATOM 0 HD21 LEU A 96 32.387 30.094 22.250 1.00 0.00 H new ATOM 0 HD22 LEU A 96 31.528 29.604 20.771 1.00 0.00 H new ATOM 0 HD23 LEU A 96 33.289 29.853 20.735 1.00 0.00 H new ATOM 1302 N GLU A 97 28.826 32.273 19.337 1.00 0.00 N ATOM 1303 CA GLU A 97 27.843 33.308 19.428 1.00 0.00 C ATOM 1304 C GLU A 97 27.722 33.810 20.826 1.00 0.00 C ATOM 1305 O GLU A 97 27.659 33.038 21.782 1.00 0.00 O ATOM 1306 CB GLU A 97 26.482 32.784 18.941 1.00 0.00 C ATOM 1307 CG GLU A 97 25.360 33.811 18.788 1.00 0.00 C ATOM 1308 CD GLU A 97 24.114 33.168 18.197 1.00 0.00 C ATOM 1309 OE1 GLU A 97 23.420 32.402 18.918 1.00 0.00 O ATOM 1310 OE2 GLU A 97 23.807 33.407 16.999 1.00 0.00 O ATOM 0 H GLU A 97 28.732 31.568 20.068 1.00 0.00 H new ATOM 0 HA GLU A 97 28.160 34.136 18.794 1.00 0.00 H new ATOM 0 HB2 GLU A 97 26.631 32.298 17.977 1.00 0.00 H new ATOM 0 HB3 GLU A 97 26.146 32.015 19.637 1.00 0.00 H new ATOM 0 HG2 GLU A 97 25.124 34.246 19.759 1.00 0.00 H new ATOM 0 HG3 GLU A 97 25.693 34.627 18.146 1.00 0.00 H new ATOM 1317 N LYS A 98 27.648 35.138 21.020 1.00 0.00 N ATOM 1318 CA LYS A 98 27.567 35.755 22.307 1.00 0.00 C ATOM 1319 C LYS A 98 26.204 35.620 22.894 1.00 0.00 C ATOM 1320 O LYS A 98 25.193 35.935 22.268 1.00 0.00 O ATOM 1321 CB LYS A 98 27.902 37.252 22.194 1.00 0.00 C ATOM 1322 CG LYS A 98 27.692 38.136 23.424 1.00 0.00 C ATOM 1323 CD LYS A 98 28.460 37.728 24.683 1.00 0.00 C ATOM 1324 CE LYS A 98 29.975 37.938 24.648 1.00 0.00 C ATOM 1325 NZ LYS A 98 30.324 39.331 25.005 1.00 0.00 N ATOM 0 H LYS A 98 27.644 35.808 20.251 1.00 0.00 H new ATOM 0 HA LYS A 98 28.283 35.250 22.956 1.00 0.00 H new ATOM 0 HB2 LYS A 98 28.947 37.337 21.898 1.00 0.00 H new ATOM 0 HB3 LYS A 98 27.305 37.666 21.381 1.00 0.00 H new ATOM 0 HG2 LYS A 98 27.974 39.157 23.165 1.00 0.00 H new ATOM 0 HG3 LYS A 98 26.628 38.149 23.660 1.00 0.00 H new ATOM 0 HD2 LYS A 98 28.056 38.287 25.527 1.00 0.00 H new ATOM 0 HD3 LYS A 98 28.265 36.673 24.877 1.00 0.00 H new ATOM 0 HE2 LYS A 98 30.458 37.249 25.341 1.00 0.00 H new ATOM 0 HE3 LYS A 98 30.355 37.707 23.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 31.357 39.449 24.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 29.881 39.984 24.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 29.980 39.540 25.964 1.00 0.00 H new