USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 416 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 25 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 30 ASN : amide:sc= 0.509 X(o=0.51,f=0.26) USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0.367 USER MOD Set 2.2: A 26 ASN : amide:sc= 0.287 X(o=0.65,f=0.7) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00638) USER MOD Single : A 19 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.00089) USER MOD Single : A 29 SER OG : rot -37:sc= 0.214 USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0282) USER MOD Single : A 33 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.738) USER MOD Single : A 37 TYR OH : rot -38:sc= 0.0482 USER MOD Single : A 43 ASN : amide:sc= -0.513 K(o=-0.51,f=-2.2) USER MOD Single : A 45 ASN : amide:sc= -2.34 K(o=-2.3,f=-5.2!) USER MOD Single : A 46 ASN : amide:sc= -0.0525 K(o=-0.052,f=-3.7!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.4!) USER MOD Single : A 56 THR OG1 : rot 78:sc= 0.273 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 27.760 32.598 41.250 1.00 0.00 N ATOM 16 CA ASP A 2 27.354 32.393 39.834 1.00 0.00 C ATOM 17 C ASP A 2 28.190 33.224 38.833 1.00 0.00 C ATOM 18 O ASP A 2 27.678 33.872 37.921 1.00 0.00 O ATOM 19 CB ASP A 2 25.860 32.705 39.689 1.00 0.00 C ATOM 20 CG ASP A 2 25.044 32.004 40.759 1.00 0.00 C ATOM 21 OD1 ASP A 2 24.922 32.640 41.835 1.00 0.00 O ATOM 22 OD2 ASP A 2 24.625 30.857 40.510 1.00 0.00 O ATOM 0 HA ASP A 2 27.545 31.349 39.584 1.00 0.00 H new ATOM 0 HB2 ASP A 2 25.703 33.782 39.756 1.00 0.00 H new ATOM 0 HB3 ASP A 2 25.515 32.393 38.703 1.00 0.00 H new ATOM 27 N ARG A 3 29.490 33.311 39.085 1.00 0.00 N ATOM 28 CA ARG A 3 30.477 34.146 38.364 1.00 0.00 C ATOM 29 C ARG A 3 31.454 33.202 37.635 1.00 0.00 C ATOM 30 O ARG A 3 31.237 31.989 37.636 1.00 0.00 O ATOM 31 CB ARG A 3 31.122 35.131 39.363 1.00 0.00 C ATOM 32 CG ARG A 3 30.191 35.729 40.423 1.00 0.00 C ATOM 33 CD ARG A 3 28.990 36.461 39.824 1.00 0.00 C ATOM 34 NE ARG A 3 28.060 36.898 40.876 1.00 0.00 N ATOM 35 CZ ARG A 3 26.854 37.374 40.659 1.00 0.00 C ATOM 36 NH1 ARG A 3 26.415 37.550 39.450 1.00 0.00 N ATOM 37 NH2 ARG A 3 26.076 37.682 41.651 1.00 0.00 N ATOM 0 H ARG A 3 29.921 32.775 39.838 1.00 0.00 H new ATOM 0 HA ARG A 3 30.029 34.773 37.594 1.00 0.00 H new ATOM 0 HB2 ARG A 3 31.936 34.617 39.874 1.00 0.00 H new ATOM 0 HB3 ARG A 3 31.567 35.950 38.797 1.00 0.00 H new ATOM 0 HG2 ARG A 3 29.834 34.932 41.076 1.00 0.00 H new ATOM 0 HG3 ARG A 3 30.757 36.422 41.046 1.00 0.00 H new ATOM 0 HD2 ARG A 3 29.333 37.325 39.255 1.00 0.00 H new ATOM 0 HD3 ARG A 3 28.471 35.805 39.125 1.00 0.00 H new ATOM 0 HE ARG A 3 28.373 36.827 41.844 1.00 0.00 H new ATOM 0 HH11 ARG A 3 27.008 37.318 38.653 1.00 0.00 H new ATOM 0 HH12 ARG A 3 25.477 37.920 39.297 1.00 0.00 H new ATOM 0 HH21 ARG A 3 26.398 37.555 42.610 1.00 0.00 H new ATOM 0 HH22 ARG A 3 25.142 38.051 41.471 1.00 0.00 H new ATOM 51 N PRO A 4 32.505 33.688 36.946 1.00 0.00 N ATOM 52 CA PRO A 4 33.371 32.772 36.208 1.00 0.00 C ATOM 53 C PRO A 4 34.215 31.908 37.140 1.00 0.00 C ATOM 54 O PRO A 4 34.686 32.371 38.174 1.00 0.00 O ATOM 55 CB PRO A 4 34.226 33.655 35.297 1.00 0.00 C ATOM 56 CG PRO A 4 34.265 35.011 36.007 1.00 0.00 C ATOM 57 CD PRO A 4 32.979 35.063 36.823 1.00 0.00 C ATOM 0 HA PRO A 4 32.790 32.058 35.625 1.00 0.00 H new ATOM 0 HB2 PRO A 4 35.228 33.244 35.171 1.00 0.00 H new ATOM 0 HB3 PRO A 4 33.789 33.740 34.302 1.00 0.00 H new ATOM 0 HG2 PRO A 4 35.143 35.097 36.647 1.00 0.00 H new ATOM 0 HG3 PRO A 4 34.312 35.831 35.290 1.00 0.00 H new ATOM 0 HD2 PRO A 4 33.161 35.499 37.805 1.00 0.00 H new ATOM 0 HD3 PRO A 4 32.233 35.687 36.331 1.00 0.00 H new ATOM 65 N LYS A 5 34.507 30.669 36.748 1.00 0.00 N ATOM 66 CA LYS A 5 35.332 29.744 37.550 1.00 0.00 C ATOM 67 C LYS A 5 36.798 30.161 37.639 1.00 0.00 C ATOM 68 O LYS A 5 37.487 29.785 38.578 1.00 0.00 O ATOM 69 CB LYS A 5 35.175 28.298 37.062 1.00 0.00 C ATOM 70 CG LYS A 5 35.942 27.947 35.770 1.00 0.00 C ATOM 71 CD LYS A 5 37.379 27.435 36.036 1.00 0.00 C ATOM 72 CE LYS A 5 38.066 27.033 34.726 1.00 0.00 C ATOM 73 NZ LYS A 5 39.453 26.560 34.962 1.00 0.00 N ATOM 0 H LYS A 5 34.182 30.271 35.867 1.00 0.00 H new ATOM 0 HA LYS A 5 34.952 29.798 38.570 1.00 0.00 H new ATOM 0 HB2 LYS A 5 35.507 27.627 37.855 1.00 0.00 H new ATOM 0 HB3 LYS A 5 34.115 28.100 36.900 1.00 0.00 H new ATOM 0 HG2 LYS A 5 35.388 27.186 35.221 1.00 0.00 H new ATOM 0 HG3 LYS A 5 35.990 28.829 35.132 1.00 0.00 H new ATOM 0 HD2 LYS A 5 37.960 28.212 36.533 1.00 0.00 H new ATOM 0 HD3 LYS A 5 37.346 26.580 36.712 1.00 0.00 H new ATOM 0 HE2 LYS A 5 37.490 26.246 34.239 1.00 0.00 H new ATOM 0 HE3 LYS A 5 38.082 27.885 34.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 39.889 26.296 34.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 40.008 27.320 35.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 39.435 25.732 35.591 1.00 0.00 H new ATOM 87 N PHE A 6 37.314 30.919 36.661 1.00 0.00 N ATOM 88 CA PHE A 6 38.699 31.395 36.720 1.00 0.00 C ATOM 89 C PHE A 6 38.905 32.356 37.901 1.00 0.00 C ATOM 90 O PHE A 6 40.036 32.512 38.334 1.00 0.00 O ATOM 91 CB PHE A 6 39.135 32.010 35.383 1.00 0.00 C ATOM 92 CG PHE A 6 38.319 33.198 34.918 1.00 0.00 C ATOM 93 CD1 PHE A 6 38.340 34.403 35.629 1.00 0.00 C ATOM 94 CD2 PHE A 6 37.574 33.110 33.723 1.00 0.00 C ATOM 95 CE1 PHE A 6 37.605 35.502 35.185 1.00 0.00 C ATOM 96 CE2 PHE A 6 36.859 34.229 33.258 1.00 0.00 C ATOM 97 CZ PHE A 6 36.870 35.425 33.989 1.00 0.00 C ATOM 0 H PHE A 6 36.799 31.212 35.831 1.00 0.00 H new ATOM 0 HA PHE A 6 39.345 30.535 36.895 1.00 0.00 H new ATOM 0 HB2 PHE A 6 40.178 32.317 35.466 1.00 0.00 H new ATOM 0 HB3 PHE A 6 39.091 31.237 34.615 1.00 0.00 H new ATOM 0 HD1 PHE A 6 38.931 34.483 36.530 1.00 0.00 H new ATOM 0 HD2 PHE A 6 37.553 32.185 33.166 1.00 0.00 H new ATOM 0 HE1 PHE A 6 37.600 36.415 35.762 1.00 0.00 H new ATOM 0 HE2 PHE A 6 36.300 34.166 32.336 1.00 0.00 H new ATOM 0 HZ PHE A 6 36.317 36.283 33.635 1.00 0.00 H new ATOM 107 N CYS A 7 37.822 32.908 38.463 1.00 0.00 N ATOM 108 CA CYS A 7 37.871 33.658 39.717 1.00 0.00 C ATOM 109 C CYS A 7 38.426 32.853 40.890 1.00 0.00 C ATOM 110 O CYS A 7 38.845 33.455 41.874 1.00 0.00 O ATOM 111 CB CYS A 7 36.476 34.215 40.041 1.00 0.00 C ATOM 112 SG CYS A 7 36.034 35.734 39.162 1.00 0.00 S ATOM 0 H CYS A 7 36.888 32.845 38.058 1.00 0.00 H new ATOM 0 HA CYS A 7 38.572 34.480 39.570 1.00 0.00 H new ATOM 0 HB2 CYS A 7 35.734 33.451 39.810 1.00 0.00 H new ATOM 0 HB3 CYS A 7 36.417 34.403 41.113 1.00 0.00 H new ATOM 117 N TYR A 8 38.450 31.523 40.810 1.00 0.00 N ATOM 118 CA TYR A 8 39.005 30.656 41.844 1.00 0.00 C ATOM 119 C TYR A 8 40.507 30.442 41.707 1.00 0.00 C ATOM 120 O TYR A 8 41.147 30.026 42.677 1.00 0.00 O ATOM 121 CB TYR A 8 38.280 29.308 41.838 1.00 0.00 C ATOM 122 CG TYR A 8 36.822 29.355 42.255 1.00 0.00 C ATOM 123 CD1 TYR A 8 35.860 29.999 41.466 1.00 0.00 C ATOM 124 CD2 TYR A 8 36.426 28.699 43.442 1.00 0.00 C ATOM 125 CE1 TYR A 8 34.502 29.996 41.833 1.00 0.00 C ATOM 126 CE2 TYR A 8 35.068 28.687 43.820 1.00 0.00 C ATOM 127 CZ TYR A 8 34.106 29.321 43.000 1.00 0.00 C ATOM 128 OH TYR A 8 32.788 29.288 43.308 1.00 0.00 O ATOM 0 H TYR A 8 38.077 31.011 40.010 1.00 0.00 H new ATOM 0 HA TYR A 8 38.848 31.163 42.796 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.341 28.886 40.835 1.00 0.00 H new ATOM 0 HB3 TYR A 8 38.810 28.626 42.503 1.00 0.00 H new ATOM 0 HD1 TYR A 8 36.166 30.505 40.562 1.00 0.00 H new ATOM 0 HD2 TYR A 8 37.163 28.207 44.059 1.00 0.00 H new ATOM 0 HE1 TYR A 8 33.771 30.507 41.224 1.00 0.00 H new ATOM 0 HE2 TYR A 8 34.763 28.196 44.732 1.00 0.00 H new ATOM 0 HH TYR A 8 32.659 28.787 44.140 1.00 0.00 H new ATOM 138 N LEU A 9 41.078 30.730 40.532 1.00 0.00 N ATOM 139 CA LEU A 9 42.508 30.614 40.305 1.00 0.00 C ATOM 140 C LEU A 9 43.210 31.698 41.123 1.00 0.00 C ATOM 141 O LEU A 9 42.896 32.872 40.866 1.00 0.00 O ATOM 142 CB LEU A 9 42.818 30.756 38.812 1.00 0.00 C ATOM 143 CG LEU A 9 42.195 29.653 37.934 1.00 0.00 C ATOM 144 CD1 LEU A 9 42.283 30.053 36.460 1.00 0.00 C ATOM 145 CD2 LEU A 9 42.911 28.312 38.120 1.00 0.00 C ATOM 0 H LEU A 9 40.555 31.049 39.717 1.00 0.00 H new ATOM 0 HA LEU A 9 42.867 29.634 40.620 1.00 0.00 H new ATOM 0 HB2 LEU A 9 42.459 31.726 38.468 1.00 0.00 H new ATOM 0 HB3 LEU A 9 43.899 30.749 38.674 1.00 0.00 H new ATOM 0 HG LEU A 9 41.155 29.539 38.239 1.00 0.00 H new ATOM 0 HD11 LEU A 9 41.841 29.270 35.844 1.00 0.00 H new ATOM 0 HD12 LEU A 9 41.742 30.986 36.303 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.328 30.188 36.181 1.00 0.00 H new ATOM 0 HD21 LEU A 9 42.444 27.559 37.485 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.960 28.419 37.845 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.839 28.003 39.163 1.00 0.00 H new ATOM 157 N PRO A 10 44.099 31.354 42.071 1.00 0.00 N ATOM 158 CA PRO A 10 44.873 32.309 42.860 1.00 0.00 C ATOM 159 C PRO A 10 45.587 33.330 41.968 1.00 0.00 C ATOM 160 O PRO A 10 45.723 33.113 40.759 1.00 0.00 O ATOM 161 CB PRO A 10 45.857 31.496 43.711 1.00 0.00 C ATOM 162 CG PRO A 10 45.928 30.152 43.010 1.00 0.00 C ATOM 163 CD PRO A 10 44.546 30.002 42.399 1.00 0.00 C ATOM 0 HA PRO A 10 44.218 32.896 43.504 1.00 0.00 H new ATOM 0 HB2 PRO A 10 46.835 31.975 43.756 1.00 0.00 H new ATOM 0 HB3 PRO A 10 45.505 31.392 44.738 1.00 0.00 H new ATOM 0 HG2 PRO A 10 46.708 30.136 42.249 1.00 0.00 H new ATOM 0 HG3 PRO A 10 46.148 29.345 43.709 1.00 0.00 H new ATOM 0 HD2 PRO A 10 44.580 29.376 41.508 1.00 0.00 H new ATOM 0 HD3 PRO A 10 43.860 29.524 43.099 1.00 0.00 H new ATOM 171 N ASP A 11 45.988 34.469 42.538 1.00 0.00 N ATOM 172 CA ASP A 11 46.702 35.491 41.776 1.00 0.00 C ATOM 173 C ASP A 11 47.906 34.860 41.084 1.00 0.00 C ATOM 174 O ASP A 11 48.717 34.173 41.705 1.00 0.00 O ATOM 175 CB ASP A 11 47.104 36.673 42.665 1.00 0.00 C ATOM 176 CG ASP A 11 47.935 36.281 43.893 1.00 0.00 C ATOM 177 OD1 ASP A 11 47.296 35.821 44.870 1.00 0.00 O ATOM 178 OD2 ASP A 11 49.152 36.564 43.885 1.00 0.00 O ATOM 0 H ASP A 11 45.831 34.704 43.518 1.00 0.00 H new ATOM 0 HA ASP A 11 46.038 35.894 41.012 1.00 0.00 H new ATOM 0 HB2 ASP A 11 47.673 37.386 42.068 1.00 0.00 H new ATOM 0 HB3 ASP A 11 46.202 37.185 42.999 1.00 0.00 H new ATOM 183 N ASP A 12 47.986 35.051 39.762 1.00 0.00 N ATOM 184 CA ASP A 12 49.028 34.456 38.931 1.00 0.00 C ATOM 185 C ASP A 12 49.752 35.589 38.189 1.00 0.00 C ATOM 186 O ASP A 12 49.472 35.847 37.018 1.00 0.00 O ATOM 187 CB ASP A 12 48.435 33.383 38.022 1.00 0.00 C ATOM 188 CG ASP A 12 49.550 32.570 37.342 1.00 0.00 C ATOM 189 OD1 ASP A 12 49.841 32.844 36.159 1.00 0.00 O ATOM 190 OD2 ASP A 12 50.094 31.671 38.016 1.00 0.00 O ATOM 0 H ASP A 12 47.325 35.626 39.240 1.00 0.00 H new ATOM 0 HA ASP A 12 49.773 33.934 39.532 1.00 0.00 H new ATOM 0 HB2 ASP A 12 47.797 32.718 38.604 1.00 0.00 H new ATOM 0 HB3 ASP A 12 47.804 33.849 37.265 1.00 0.00 H new ATOM 195 N PRO A 13 50.627 36.343 38.858 1.00 0.00 N ATOM 196 CA PRO A 13 51.503 37.318 38.196 1.00 0.00 C ATOM 197 C PRO A 13 52.454 36.741 37.145 1.00 0.00 C ATOM 198 O PRO A 13 53.071 37.512 36.406 1.00 0.00 O ATOM 199 CB PRO A 13 52.282 37.965 39.337 1.00 0.00 C ATOM 200 CG PRO A 13 52.169 37.013 40.525 1.00 0.00 C ATOM 201 CD PRO A 13 50.815 36.366 40.307 1.00 0.00 C ATOM 0 HA PRO A 13 50.898 38.015 37.617 1.00 0.00 H new ATOM 0 HB2 PRO A 13 53.325 38.118 39.059 1.00 0.00 H new ATOM 0 HB3 PRO A 13 51.871 38.944 39.583 1.00 0.00 H new ATOM 0 HG2 PRO A 13 52.973 36.277 40.532 1.00 0.00 H new ATOM 0 HG3 PRO A 13 52.215 37.544 41.476 1.00 0.00 H new ATOM 0 HD2 PRO A 13 50.789 35.359 40.723 1.00 0.00 H new ATOM 0 HD3 PRO A 13 50.024 36.934 40.797 1.00 0.00 H new ATOM 209 N GLY A 14 52.598 35.412 37.114 1.00 0.00 N ATOM 210 CA GLY A 14 53.521 34.686 36.255 1.00 0.00 C ATOM 211 C GLY A 14 54.839 34.376 36.970 1.00 0.00 C ATOM 212 O GLY A 14 54.888 34.155 38.172 1.00 0.00 O ATOM 0 H GLY A 14 52.050 34.794 37.713 1.00 0.00 H new ATOM 0 HA2 GLY A 14 53.057 33.755 35.928 1.00 0.00 H new ATOM 0 HA3 GLY A 14 53.723 35.274 35.359 1.00 0.00 H new ATOM 216 N VAL A 15 55.935 34.352 36.204 1.00 0.00 N ATOM 217 CA VAL A 15 57.262 33.950 36.690 1.00 0.00 C ATOM 218 C VAL A 15 58.290 35.082 36.706 1.00 0.00 C ATOM 219 O VAL A 15 59.245 35.049 37.501 1.00 0.00 O ATOM 220 CB VAL A 15 57.811 32.751 35.896 1.00 0.00 C ATOM 221 CG1 VAL A 15 56.895 31.531 36.040 1.00 0.00 C ATOM 222 CG2 VAL A 15 57.990 33.041 34.403 1.00 0.00 C ATOM 0 H VAL A 15 55.927 34.614 35.218 1.00 0.00 H new ATOM 0 HA VAL A 15 57.106 33.658 37.729 1.00 0.00 H new ATOM 0 HB VAL A 15 58.793 32.549 36.324 1.00 0.00 H new ATOM 0 HG11 VAL A 15 57.306 30.698 35.469 1.00 0.00 H new ATOM 0 HG12 VAL A 15 56.824 31.251 37.091 1.00 0.00 H new ATOM 0 HG13 VAL A 15 55.902 31.775 35.662 1.00 0.00 H new ATOM 0 HG21 VAL A 15 58.380 32.154 33.904 1.00 0.00 H new ATOM 0 HG22 VAL A 15 57.028 33.309 33.967 1.00 0.00 H new ATOM 0 HG23 VAL A 15 58.690 33.867 34.274 1.00 0.00 H new ATOM 232 N CYS A 16 58.124 36.094 35.849 1.00 0.00 N ATOM 233 CA CYS A 16 59.041 37.224 35.766 1.00 0.00 C ATOM 234 C CYS A 16 58.887 38.171 36.960 1.00 0.00 C ATOM 235 O CYS A 16 57.797 38.403 37.464 1.00 0.00 O ATOM 236 CB CYS A 16 58.876 37.972 34.441 1.00 0.00 C ATOM 237 SG CYS A 16 59.837 37.213 33.102 1.00 0.00 S ATOM 0 H CYS A 16 57.345 36.148 35.193 1.00 0.00 H new ATOM 0 HA CYS A 16 60.054 36.823 35.801 1.00 0.00 H new ATOM 0 HB2 CYS A 16 57.822 37.990 34.165 1.00 0.00 H new ATOM 0 HB3 CYS A 16 59.190 39.008 34.569 1.00 0.00 H new ATOM 242 N LYS A 17 60.003 38.767 37.399 1.00 0.00 N ATOM 243 CA LYS A 17 60.060 39.646 38.562 1.00 0.00 C ATOM 244 C LYS A 17 60.141 41.093 38.091 1.00 0.00 C ATOM 245 O LYS A 17 61.225 41.624 37.911 1.00 0.00 O ATOM 246 CB LYS A 17 61.239 39.276 39.489 1.00 0.00 C ATOM 247 CG LYS A 17 61.068 37.919 40.210 1.00 0.00 C ATOM 248 CD LYS A 17 61.487 36.707 39.357 1.00 0.00 C ATOM 249 CE LYS A 17 61.225 35.380 40.068 1.00 0.00 C ATOM 250 NZ LYS A 17 62.114 35.198 41.245 1.00 0.00 N ATOM 0 H LYS A 17 60.907 38.646 36.943 1.00 0.00 H new ATOM 0 HA LYS A 17 59.153 39.520 39.153 1.00 0.00 H new ATOM 0 HB2 LYS A 17 62.156 39.251 38.901 1.00 0.00 H new ATOM 0 HB3 LYS A 17 61.361 40.060 40.236 1.00 0.00 H new ATOM 0 HG2 LYS A 17 61.658 37.928 41.127 1.00 0.00 H new ATOM 0 HG3 LYS A 17 60.025 37.802 40.503 1.00 0.00 H new ATOM 0 HD2 LYS A 17 60.943 36.724 38.413 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.547 36.784 39.116 1.00 0.00 H new ATOM 0 HE2 LYS A 17 60.184 35.339 40.389 1.00 0.00 H new ATOM 0 HE3 LYS A 17 61.375 34.557 39.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 61.929 34.272 41.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 63.107 35.245 40.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 61.929 35.950 41.939 1.00 0.00 H new ATOM 264 N ALA A 18 58.983 41.709 37.873 1.00 0.00 N ATOM 265 CA ALA A 18 58.876 43.125 37.513 1.00 0.00 C ATOM 266 C ALA A 18 57.963 43.853 38.502 1.00 0.00 C ATOM 267 O ALA A 18 58.003 43.572 39.704 1.00 0.00 O ATOM 268 CB ALA A 18 58.446 43.240 36.044 1.00 0.00 C ATOM 0 H ALA A 18 58.081 41.237 37.941 1.00 0.00 H new ATOM 0 HA ALA A 18 59.842 43.625 37.591 1.00 0.00 H new ATOM 0 HB1 ALA A 18 58.365 44.292 35.770 1.00 0.00 H new ATOM 0 HB2 ALA A 18 59.188 42.756 35.409 1.00 0.00 H new ATOM 0 HB3 ALA A 18 57.480 42.754 35.909 1.00 0.00 H new ATOM 274 N HIS A 19 57.170 44.841 38.049 1.00 0.00 N ATOM 275 CA HIS A 19 56.276 45.587 38.918 1.00 0.00 C ATOM 276 C HIS A 19 55.105 46.229 38.170 1.00 0.00 C ATOM 277 O HIS A 19 55.230 47.357 37.701 1.00 0.00 O ATOM 278 CB HIS A 19 57.099 46.632 39.696 1.00 0.00 C ATOM 279 CG HIS A 19 56.462 47.025 41.007 1.00 0.00 C ATOM 280 ND1 HIS A 19 56.962 46.730 42.256 1.00 0.00 N ATOM 281 CD2 HIS A 19 55.305 47.743 41.178 1.00 0.00 C ATOM 282 CE1 HIS A 19 56.131 47.257 43.177 1.00 0.00 C ATOM 283 NE2 HIS A 19 55.121 47.871 42.538 1.00 0.00 N ATOM 0 H HIS A 19 57.139 45.135 37.073 1.00 0.00 H new ATOM 0 HA HIS A 19 55.815 44.887 39.615 1.00 0.00 H new ATOM 0 HB2 HIS A 19 58.095 46.233 39.887 1.00 0.00 H new ATOM 0 HB3 HIS A 19 57.225 47.521 39.078 1.00 0.00 H new ATOM 0 HD2 HIS A 19 54.665 48.131 40.400 1.00 0.00 H new ATOM 0 HE1 HIS A 19 56.256 47.196 44.248 1.00 0.00 H new ATOM 0 HE2 HIS A 19 54.343 48.354 42.987 1.00 0.00 H new ATOM 292 N ILE A 20 53.962 45.565 38.101 1.00 0.00 N ATOM 293 CA ILE A 20 52.752 46.097 37.454 1.00 0.00 C ATOM 294 C ILE A 20 51.549 45.941 38.411 1.00 0.00 C ATOM 295 O ILE A 20 51.213 44.810 38.752 1.00 0.00 O ATOM 296 CB ILE A 20 52.512 45.424 36.090 1.00 0.00 C ATOM 297 CG1 ILE A 20 53.797 45.432 35.223 1.00 0.00 C ATOM 298 CG2 ILE A 20 51.331 46.096 35.381 1.00 0.00 C ATOM 299 CD1 ILE A 20 53.623 45.069 33.746 1.00 0.00 C ATOM 0 H ILE A 20 53.837 44.632 38.493 1.00 0.00 H new ATOM 0 HA ILE A 20 52.885 47.159 37.249 1.00 0.00 H new ATOM 0 HB ILE A 20 52.257 44.377 36.252 1.00 0.00 H new ATOM 0 HG12 ILE A 20 54.242 46.425 35.281 1.00 0.00 H new ATOM 0 HG13 ILE A 20 54.511 44.737 35.664 1.00 0.00 H new ATOM 0 HG21 ILE A 20 51.165 45.616 34.416 1.00 0.00 H new ATOM 0 HG22 ILE A 20 50.435 45.998 35.994 1.00 0.00 H new ATOM 0 HG23 ILE A 20 51.552 47.152 35.228 1.00 0.00 H new ATOM 0 HD11 ILE A 20 54.590 45.109 33.245 1.00 0.00 H new ATOM 0 HD12 ILE A 20 53.214 44.062 33.665 1.00 0.00 H new ATOM 0 HD13 ILE A 20 52.941 45.777 33.275 1.00 0.00 H new ATOM 311 N PRO A 21 50.919 47.038 38.877 1.00 0.00 N ATOM 312 CA PRO A 21 49.745 46.971 39.753 1.00 0.00 C ATOM 313 C PRO A 21 48.600 46.174 39.126 1.00 0.00 C ATOM 314 O PRO A 21 48.080 46.540 38.066 1.00 0.00 O ATOM 315 CB PRO A 21 49.340 48.429 40.025 1.00 0.00 C ATOM 316 CG PRO A 21 50.641 49.202 39.822 1.00 0.00 C ATOM 317 CD PRO A 21 51.323 48.421 38.694 1.00 0.00 C ATOM 0 HA PRO A 21 49.980 46.444 40.678 1.00 0.00 H new ATOM 0 HB2 PRO A 21 48.562 48.765 39.339 1.00 0.00 H new ATOM 0 HB3 PRO A 21 48.951 48.556 41.035 1.00 0.00 H new ATOM 0 HG2 PRO A 21 50.457 50.239 39.543 1.00 0.00 H new ATOM 0 HG3 PRO A 21 51.248 49.219 40.727 1.00 0.00 H new ATOM 0 HD2 PRO A 21 51.015 48.794 37.717 1.00 0.00 H new ATOM 0 HD3 PRO A 21 52.407 48.523 38.746 1.00 0.00 H new ATOM 325 N ARG A 22 48.206 45.074 39.766 1.00 0.00 N ATOM 326 CA ARG A 22 47.073 44.238 39.368 1.00 0.00 C ATOM 327 C ARG A 22 46.203 43.878 40.556 1.00 0.00 C ATOM 328 O ARG A 22 46.547 44.100 41.712 1.00 0.00 O ATOM 329 CB ARG A 22 47.553 42.958 38.665 1.00 0.00 C ATOM 330 CG ARG A 22 48.183 43.185 37.290 1.00 0.00 C ATOM 331 CD ARG A 22 47.210 43.817 36.301 1.00 0.00 C ATOM 332 NE ARG A 22 47.900 44.176 35.054 1.00 0.00 N ATOM 333 CZ ARG A 22 47.944 45.382 34.535 1.00 0.00 C ATOM 334 NH1 ARG A 22 47.665 46.464 35.208 1.00 0.00 N ATOM 335 NH2 ARG A 22 48.265 45.557 33.292 1.00 0.00 N ATOM 0 H ARG A 22 48.680 44.729 40.601 1.00 0.00 H new ATOM 0 HA ARG A 22 46.474 44.821 38.669 1.00 0.00 H new ATOM 0 HB2 ARG A 22 48.280 42.458 39.305 1.00 0.00 H new ATOM 0 HB3 ARG A 22 46.706 42.280 38.555 1.00 0.00 H new ATOM 0 HG2 ARG A 22 49.057 43.827 37.396 1.00 0.00 H new ATOM 0 HG3 ARG A 22 48.533 42.233 36.892 1.00 0.00 H new ATOM 0 HD2 ARG A 22 46.398 43.122 36.087 1.00 0.00 H new ATOM 0 HD3 ARG A 22 46.760 44.706 36.743 1.00 0.00 H new ATOM 0 HE ARG A 22 48.382 43.430 34.552 1.00 0.00 H new ATOM 0 HH11 ARG A 22 47.396 46.399 36.190 1.00 0.00 H new ATOM 0 HH12 ARG A 22 47.716 47.375 34.753 1.00 0.00 H new ATOM 0 HH21 ARG A 22 48.487 44.753 32.705 1.00 0.00 H new ATOM 0 HH22 ARG A 22 48.296 46.499 32.901 1.00 0.00 H new ATOM 349 N PHE A 23 45.037 43.352 40.246 1.00 0.00 N ATOM 350 CA PHE A 23 44.047 42.888 41.195 1.00 0.00 C ATOM 351 C PHE A 23 43.540 41.519 40.748 1.00 0.00 C ATOM 352 O PHE A 23 43.597 41.191 39.570 1.00 0.00 O ATOM 353 CB PHE A 23 42.927 43.927 41.333 1.00 0.00 C ATOM 354 CG PHE A 23 43.326 45.207 42.061 1.00 0.00 C ATOM 355 CD1 PHE A 23 42.820 45.481 43.342 1.00 0.00 C ATOM 356 CD2 PHE A 23 44.203 46.122 41.450 1.00 0.00 C ATOM 357 CE1 PHE A 23 43.191 46.670 44.001 1.00 0.00 C ATOM 358 CE2 PHE A 23 44.574 47.311 42.109 1.00 0.00 C ATOM 359 CZ PHE A 23 44.068 47.575 43.390 1.00 0.00 C ATOM 0 H PHE A 23 44.739 43.230 39.278 1.00 0.00 H new ATOM 0 HA PHE A 23 44.484 42.771 42.187 1.00 0.00 H new ATOM 0 HB2 PHE A 23 42.569 44.189 40.337 1.00 0.00 H new ATOM 0 HB3 PHE A 23 42.091 43.471 41.862 1.00 0.00 H new ATOM 0 HD1 PHE A 23 42.149 44.783 43.820 1.00 0.00 H new ATOM 0 HD2 PHE A 23 44.596 45.911 40.466 1.00 0.00 H new ATOM 0 HE1 PHE A 23 42.797 46.885 44.983 1.00 0.00 H new ATOM 0 HE2 PHE A 23 45.242 48.013 41.632 1.00 0.00 H new ATOM 0 HZ PHE A 23 44.355 48.479 43.907 1.00 0.00 H new ATOM 369 N TYR A 24 43.044 40.721 41.687 1.00 0.00 N ATOM 370 CA TYR A 24 42.446 39.422 41.380 1.00 0.00 C ATOM 371 C TYR A 24 41.275 39.146 42.318 1.00 0.00 C ATOM 372 O TYR A 24 41.174 39.733 43.404 1.00 0.00 O ATOM 373 CB TYR A 24 43.539 38.334 41.382 1.00 0.00 C ATOM 374 CG TYR A 24 43.406 37.270 42.450 1.00 0.00 C ATOM 375 CD1 TYR A 24 43.580 37.592 43.797 1.00 0.00 C ATOM 376 CD2 TYR A 24 43.089 35.964 42.082 1.00 0.00 C ATOM 377 CE1 TYR A 24 43.396 36.607 44.786 1.00 0.00 C ATOM 378 CE2 TYR A 24 42.835 34.998 43.061 1.00 0.00 C ATOM 379 CZ TYR A 24 42.999 35.310 44.417 1.00 0.00 C ATOM 380 OH TYR A 24 42.774 34.344 45.356 1.00 0.00 O ATOM 0 H TYR A 24 43.044 40.953 42.680 1.00 0.00 H new ATOM 0 HA TYR A 24 42.021 39.420 40.376 1.00 0.00 H new ATOM 0 HB2 TYR A 24 43.541 37.846 40.407 1.00 0.00 H new ATOM 0 HB3 TYR A 24 44.508 38.819 41.498 1.00 0.00 H new ATOM 0 HD1 TYR A 24 43.856 38.597 44.081 1.00 0.00 H new ATOM 0 HD2 TYR A 24 43.039 35.697 41.037 1.00 0.00 H new ATOM 0 HE1 TYR A 24 43.560 36.847 45.826 1.00 0.00 H new ATOM 0 HE2 TYR A 24 42.512 34.009 42.771 1.00 0.00 H new ATOM 0 HH TYR A 24 42.506 33.512 44.912 1.00 0.00 H new ATOM 390 N TYR A 25 40.332 38.282 41.900 1.00 0.00 N ATOM 391 CA TYR A 25 39.200 37.906 42.738 1.00 0.00 C ATOM 392 C TYR A 25 39.588 36.767 43.665 1.00 0.00 C ATOM 393 O TYR A 25 40.047 35.738 43.210 1.00 0.00 O ATOM 394 CB TYR A 25 37.980 37.486 41.908 1.00 0.00 C ATOM 395 CG TYR A 25 36.789 37.169 42.787 1.00 0.00 C ATOM 396 CD1 TYR A 25 36.000 38.205 43.324 1.00 0.00 C ATOM 397 CD2 TYR A 25 36.505 35.838 43.109 1.00 0.00 C ATOM 398 CE1 TYR A 25 34.908 37.879 44.142 1.00 0.00 C ATOM 399 CE2 TYR A 25 35.343 35.511 43.827 1.00 0.00 C ATOM 400 CZ TYR A 25 34.544 36.536 44.354 1.00 0.00 C ATOM 401 OH TYR A 25 33.441 36.239 45.082 1.00 0.00 O ATOM 0 H TYR A 25 40.340 37.835 40.983 1.00 0.00 H new ATOM 0 HA TYR A 25 38.928 38.787 43.320 1.00 0.00 H new ATOM 0 HB2 TYR A 25 37.718 38.285 41.215 1.00 0.00 H new ATOM 0 HB3 TYR A 25 38.232 36.612 41.307 1.00 0.00 H new ATOM 0 HD1 TYR A 25 36.233 39.237 43.109 1.00 0.00 H new ATOM 0 HD2 TYR A 25 37.184 35.056 42.803 1.00 0.00 H new ATOM 0 HE1 TYR A 25 34.340 38.667 44.614 1.00 0.00 H new ATOM 0 HE2 TYR A 25 35.067 34.477 43.972 1.00 0.00 H new ATOM 0 HH TYR A 25 33.333 35.266 45.130 1.00 0.00 H new ATOM 411 N ASN A 26 39.343 36.934 44.965 1.00 0.00 N ATOM 412 CA ASN A 26 39.570 35.904 45.972 1.00 0.00 C ATOM 413 C ASN A 26 38.219 35.373 46.503 1.00 0.00 C ATOM 414 O ASN A 26 37.647 36.003 47.401 1.00 0.00 O ATOM 415 CB ASN A 26 40.470 36.502 47.062 1.00 0.00 C ATOM 416 CG ASN A 26 40.757 35.513 48.168 1.00 0.00 C ATOM 417 OD1 ASN A 26 40.570 35.800 49.337 1.00 0.00 O ATOM 418 ND2 ASN A 26 41.238 34.336 47.844 1.00 0.00 N ATOM 0 H ASN A 26 38.975 37.804 45.351 1.00 0.00 H new ATOM 0 HA ASN A 26 40.081 35.037 45.553 1.00 0.00 H new ATOM 0 HB2 ASN A 26 41.409 36.830 46.617 1.00 0.00 H new ATOM 0 HB3 ASN A 26 39.991 37.386 47.482 1.00 0.00 H new ATOM 0 HD21 ASN A 26 41.457 33.656 48.572 1.00 0.00 H new ATOM 0 HD22 ASN A 26 41.393 34.101 46.864 1.00 0.00 H new ATOM 425 N PRO A 27 37.729 34.223 46.014 1.00 0.00 N ATOM 426 CA PRO A 27 36.458 33.653 46.475 1.00 0.00 C ATOM 427 C PRO A 27 36.489 33.324 47.968 1.00 0.00 C ATOM 428 O PRO A 27 35.481 33.518 48.622 1.00 0.00 O ATOM 429 CB PRO A 27 36.217 32.374 45.666 1.00 0.00 C ATOM 430 CG PRO A 27 37.180 32.466 44.500 1.00 0.00 C ATOM 431 CD PRO A 27 38.313 33.372 44.997 1.00 0.00 C ATOM 0 HA PRO A 27 35.658 34.378 46.328 1.00 0.00 H new ATOM 0 HB2 PRO A 27 36.407 31.484 46.267 1.00 0.00 H new ATOM 0 HB3 PRO A 27 35.184 32.312 45.322 1.00 0.00 H new ATOM 0 HG2 PRO A 27 37.555 31.482 44.218 1.00 0.00 H new ATOM 0 HG3 PRO A 27 36.695 32.886 43.619 1.00 0.00 H new ATOM 0 HD2 PRO A 27 39.133 32.782 45.406 1.00 0.00 H new ATOM 0 HD3 PRO A 27 38.724 33.966 44.181 1.00 0.00 H new ATOM 439 N ALA A 28 37.647 32.901 48.485 1.00 0.00 N ATOM 440 CA ALA A 28 37.819 32.523 49.887 1.00 0.00 C ATOM 441 C ALA A 28 37.293 33.575 50.872 1.00 0.00 C ATOM 442 O ALA A 28 36.551 33.243 51.788 1.00 0.00 O ATOM 443 CB ALA A 28 39.313 32.261 50.120 1.00 0.00 C ATOM 0 H ALA A 28 38.500 32.811 47.933 1.00 0.00 H new ATOM 0 HA ALA A 28 37.226 31.629 50.078 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.475 31.976 51.160 1.00 0.00 H new ATOM 0 HB2 ALA A 28 39.647 31.455 49.467 1.00 0.00 H new ATOM 0 HB3 ALA A 28 39.880 33.166 49.899 1.00 0.00 H new ATOM 449 N SER A 29 37.617 34.857 50.640 1.00 0.00 N ATOM 450 CA SER A 29 37.089 35.977 51.435 1.00 0.00 C ATOM 451 C SER A 29 35.898 36.679 50.756 1.00 0.00 C ATOM 452 O SER A 29 35.360 37.647 51.292 1.00 0.00 O ATOM 453 CB SER A 29 38.250 36.942 51.711 1.00 0.00 C ATOM 454 OG SER A 29 37.914 37.945 52.656 1.00 0.00 O ATOM 0 H SER A 29 38.252 35.146 49.896 1.00 0.00 H new ATOM 0 HA SER A 29 36.688 35.598 52.375 1.00 0.00 H new ATOM 0 HB2 SER A 29 39.108 36.377 52.076 1.00 0.00 H new ATOM 0 HB3 SER A 29 38.554 37.415 50.777 1.00 0.00 H new ATOM 0 HG SER A 29 36.983 38.221 52.523 1.00 0.00 H new ATOM 460 N ASN A 30 35.486 36.235 49.571 1.00 0.00 N ATOM 461 CA ASN A 30 34.504 36.898 48.702 1.00 0.00 C ATOM 462 C ASN A 30 34.906 38.360 48.359 1.00 0.00 C ATOM 463 O ASN A 30 34.045 39.229 48.167 1.00 0.00 O ATOM 464 CB ASN A 30 33.099 36.737 49.341 1.00 0.00 C ATOM 465 CG ASN A 30 31.953 36.777 48.346 1.00 0.00 C ATOM 466 OD1 ASN A 30 30.982 36.047 48.457 1.00 0.00 O ATOM 467 ND2 ASN A 30 31.958 37.620 47.350 1.00 0.00 N ATOM 0 H ASN A 30 35.839 35.367 49.169 1.00 0.00 H new ATOM 0 HA ASN A 30 34.477 36.416 47.725 1.00 0.00 H new ATOM 0 HB2 ASN A 30 33.064 35.790 49.880 1.00 0.00 H new ATOM 0 HB3 ASN A 30 32.954 37.528 50.077 1.00 0.00 H new ATOM 0 HD21 ASN A 30 31.170 37.649 46.703 1.00 0.00 H new ATOM 0 HD22 ASN A 30 32.750 38.250 47.219 1.00 0.00 H new ATOM 474 N LYS A 31 36.202 38.664 48.309 1.00 0.00 N ATOM 475 CA LYS A 31 36.736 40.018 48.076 1.00 0.00 C ATOM 476 C LYS A 31 37.821 40.002 47.010 1.00 0.00 C ATOM 477 O LYS A 31 38.250 38.954 46.556 1.00 0.00 O ATOM 478 CB LYS A 31 37.257 40.634 49.399 1.00 0.00 C ATOM 479 CG LYS A 31 36.190 40.850 50.483 1.00 0.00 C ATOM 480 CD LYS A 31 35.038 41.795 50.102 1.00 0.00 C ATOM 481 CE LYS A 31 33.924 41.730 51.159 1.00 0.00 C ATOM 482 NZ LYS A 31 34.377 42.165 52.503 1.00 0.00 N ATOM 0 H LYS A 31 36.933 37.963 48.432 1.00 0.00 H new ATOM 0 HA LYS A 31 35.924 40.646 47.709 1.00 0.00 H new ATOM 0 HB2 LYS A 31 38.035 39.986 49.802 1.00 0.00 H new ATOM 0 HB3 LYS A 31 37.725 41.593 49.176 1.00 0.00 H new ATOM 0 HG2 LYS A 31 35.768 39.881 50.751 1.00 0.00 H new ATOM 0 HG3 LYS A 31 36.678 41.242 51.375 1.00 0.00 H new ATOM 0 HD2 LYS A 31 35.409 42.816 50.017 1.00 0.00 H new ATOM 0 HD3 LYS A 31 34.639 41.519 49.126 1.00 0.00 H new ATOM 0 HE2 LYS A 31 33.091 42.358 50.841 1.00 0.00 H new ATOM 0 HE3 LYS A 31 33.548 40.709 51.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 33.573 42.149 53.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 35.118 41.521 52.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 34.758 43.131 52.445 1.00 0.00 H new ATOM 496 N CYS A 32 38.275 41.184 46.599 1.00 0.00 N ATOM 497 CA CYS A 32 39.348 41.339 45.632 1.00 0.00 C ATOM 498 C CYS A 32 40.576 41.928 46.331 1.00 0.00 C ATOM 499 O CYS A 32 40.439 42.922 47.034 1.00 0.00 O ATOM 500 CB CYS A 32 38.882 42.236 44.488 1.00 0.00 C ATOM 501 SG CYS A 32 37.273 41.803 43.810 1.00 0.00 S ATOM 0 H CYS A 32 37.900 42.071 46.936 1.00 0.00 H new ATOM 0 HA CYS A 32 39.619 40.369 45.214 1.00 0.00 H new ATOM 0 HB2 CYS A 32 38.848 43.266 44.842 1.00 0.00 H new ATOM 0 HB3 CYS A 32 39.622 42.198 43.688 1.00 0.00 H new ATOM 506 N LYS A 33 41.751 41.319 46.109 1.00 0.00 N ATOM 507 CA LYS A 33 43.039 41.827 46.599 1.00 0.00 C ATOM 508 C LYS A 33 43.866 42.388 45.450 1.00 0.00 C ATOM 509 O LYS A 33 43.583 42.086 44.284 1.00 0.00 O ATOM 510 CB LYS A 33 43.785 40.751 47.403 1.00 0.00 C ATOM 511 CG LYS A 33 44.253 39.570 46.539 1.00 0.00 C ATOM 512 CD LYS A 33 45.188 38.566 47.231 1.00 0.00 C ATOM 513 CE LYS A 33 44.474 37.625 48.222 1.00 0.00 C ATOM 514 NZ LYS A 33 44.244 38.252 49.549 1.00 0.00 N ATOM 0 H LYS A 33 41.833 40.451 45.579 1.00 0.00 H new ATOM 0 HA LYS A 33 42.854 42.652 47.287 1.00 0.00 H new ATOM 0 HB2 LYS A 33 44.650 41.203 47.889 1.00 0.00 H new ATOM 0 HB3 LYS A 33 43.133 40.379 48.194 1.00 0.00 H new ATOM 0 HG2 LYS A 33 43.374 39.033 46.183 1.00 0.00 H new ATOM 0 HG3 LYS A 33 44.762 39.966 45.660 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.686 37.965 46.470 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.965 39.115 47.763 1.00 0.00 H new ATOM 0 HE2 LYS A 33 43.517 37.319 47.799 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.070 36.721 48.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.270 37.521 50.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.986 38.957 49.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.314 38.718 49.556 1.00 0.00 H new ATOM 528 N GLU A 34 44.879 43.172 45.788 1.00 0.00 N ATOM 529 CA GLU A 34 45.899 43.646 44.849 1.00 0.00 C ATOM 530 C GLU A 34 47.110 42.699 44.850 1.00 0.00 C ATOM 531 O GLU A 34 47.531 42.232 45.911 1.00 0.00 O ATOM 532 CB GLU A 34 46.275 45.093 45.177 1.00 0.00 C ATOM 533 CG GLU A 34 46.900 45.290 46.552 1.00 0.00 C ATOM 534 CD GLU A 34 46.966 46.783 46.870 1.00 0.00 C ATOM 535 OE1 GLU A 34 47.987 47.412 46.500 1.00 0.00 O ATOM 536 OE2 GLU A 34 45.963 47.286 47.432 1.00 0.00 O ATOM 0 H GLU A 34 45.023 43.506 46.741 1.00 0.00 H new ATOM 0 HA GLU A 34 45.499 43.639 43.835 1.00 0.00 H new ATOM 0 HB2 GLU A 34 46.972 45.454 44.421 1.00 0.00 H new ATOM 0 HB3 GLU A 34 45.380 45.712 45.107 1.00 0.00 H new ATOM 0 HG2 GLU A 34 46.312 44.771 47.309 1.00 0.00 H new ATOM 0 HG3 GLU A 34 47.900 44.858 46.574 1.00 0.00 H new ATOM 543 N PHE A 35 47.636 42.416 43.669 1.00 0.00 N ATOM 544 CA PHE A 35 48.864 41.649 43.468 1.00 0.00 C ATOM 545 C PHE A 35 49.770 42.391 42.478 1.00 0.00 C ATOM 546 O PHE A 35 49.297 43.160 41.644 1.00 0.00 O ATOM 547 CB PHE A 35 48.547 40.212 43.021 1.00 0.00 C ATOM 548 CG PHE A 35 48.291 40.028 41.533 1.00 0.00 C ATOM 549 CD1 PHE A 35 46.989 39.989 41.021 1.00 0.00 C ATOM 550 CD2 PHE A 35 49.378 39.863 40.669 1.00 0.00 C ATOM 551 CE1 PHE A 35 46.764 39.737 39.654 1.00 0.00 C ATOM 552 CE2 PHE A 35 49.153 39.681 39.291 1.00 0.00 C ATOM 553 CZ PHE A 35 47.851 39.592 38.789 1.00 0.00 C ATOM 0 H PHE A 35 47.210 42.721 42.794 1.00 0.00 H new ATOM 0 HA PHE A 35 49.402 41.561 44.412 1.00 0.00 H new ATOM 0 HB2 PHE A 35 49.378 39.569 43.311 1.00 0.00 H new ATOM 0 HB3 PHE A 35 47.670 39.866 43.568 1.00 0.00 H new ATOM 0 HD1 PHE A 35 46.149 40.154 41.680 1.00 0.00 H new ATOM 0 HD2 PHE A 35 50.386 39.875 41.057 1.00 0.00 H new ATOM 0 HE1 PHE A 35 45.755 39.656 39.276 1.00 0.00 H new ATOM 0 HE2 PHE A 35 49.993 39.610 38.616 1.00 0.00 H new ATOM 0 HZ PHE A 35 47.687 39.412 37.737 1.00 0.00 H new ATOM 563 N ILE A 36 51.083 42.166 42.562 1.00 0.00 N ATOM 564 CA ILE A 36 52.022 42.750 41.603 1.00 0.00 C ATOM 565 C ILE A 36 52.336 41.765 40.488 1.00 0.00 C ATOM 566 O ILE A 36 52.840 40.682 40.744 1.00 0.00 O ATOM 567 CB ILE A 36 53.290 43.259 42.312 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.020 44.572 43.094 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.452 43.485 41.324 1.00 0.00 C ATOM 570 CD1 ILE A 36 52.492 45.740 42.248 1.00 0.00 C ATOM 0 H ILE A 36 51.518 41.587 43.280 1.00 0.00 H new ATOM 0 HA ILE A 36 51.551 43.617 41.140 1.00 0.00 H new ATOM 0 HB ILE A 36 53.578 42.479 43.016 1.00 0.00 H new ATOM 0 HG12 ILE A 36 52.300 44.363 43.886 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.945 44.884 43.579 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.326 43.844 41.867 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.694 42.546 40.826 1.00 0.00 H new ATOM 0 HG23 ILE A 36 54.158 44.225 40.580 1.00 0.00 H new ATOM 0 HD11 ILE A 36 52.336 46.610 42.886 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.218 45.985 41.472 1.00 0.00 H new ATOM 0 HD13 ILE A 36 51.547 45.456 41.784 1.00 0.00 H new ATOM 582 N TYR A 37 52.075 42.183 39.257 1.00 0.00 N ATOM 583 CA TYR A 37 52.367 41.427 38.041 1.00 0.00 C ATOM 584 C TYR A 37 53.781 41.689 37.531 1.00 0.00 C ATOM 585 O TYR A 37 54.340 42.786 37.680 1.00 0.00 O ATOM 586 CB TYR A 37 51.258 41.717 37.034 1.00 0.00 C ATOM 587 CG TYR A 37 51.398 41.039 35.699 1.00 0.00 C ATOM 588 CD1 TYR A 37 50.690 39.849 35.431 1.00 0.00 C ATOM 589 CD2 TYR A 37 52.216 41.601 34.700 1.00 0.00 C ATOM 590 CE1 TYR A 37 50.820 39.221 34.185 1.00 0.00 C ATOM 591 CE2 TYR A 37 52.316 40.992 33.434 1.00 0.00 C ATOM 592 CZ TYR A 37 51.638 39.793 33.177 1.00 0.00 C ATOM 593 OH TYR A 37 51.738 39.195 31.961 1.00 0.00 O ATOM 0 H TYR A 37 51.640 43.086 39.068 1.00 0.00 H new ATOM 0 HA TYR A 37 52.367 40.355 38.239 1.00 0.00 H new ATOM 0 HB2 TYR A 37 50.306 41.420 37.474 1.00 0.00 H new ATOM 0 HB3 TYR A 37 51.212 42.794 36.871 1.00 0.00 H new ATOM 0 HD1 TYR A 37 50.047 39.422 36.186 1.00 0.00 H new ATOM 0 HD2 TYR A 37 52.770 42.505 34.906 1.00 0.00 H new ATOM 0 HE1 TYR A 37 50.295 38.297 33.991 1.00 0.00 H new ATOM 0 HE2 TYR A 37 52.916 41.449 32.661 1.00 0.00 H new ATOM 0 HH TYR A 37 51.758 38.222 32.076 1.00 0.00 H new ATOM 603 N GLY A 38 54.369 40.651 36.926 1.00 0.00 N ATOM 604 CA GLY A 38 55.686 40.701 36.318 1.00 0.00 C ATOM 605 C GLY A 38 55.623 41.119 34.845 1.00 0.00 C ATOM 606 O GLY A 38 55.598 42.307 34.517 1.00 0.00 O ATOM 0 H GLY A 38 53.925 39.736 36.848 1.00 0.00 H new ATOM 0 HA2 GLY A 38 56.313 41.403 36.868 1.00 0.00 H new ATOM 0 HA3 GLY A 38 56.159 39.722 36.397 1.00 0.00 H new ATOM 610 N GLY A 39 55.649 40.123 33.973 1.00 0.00 N ATOM 611 CA GLY A 39 55.739 40.313 32.521 1.00 0.00 C ATOM 612 C GLY A 39 55.799 39.018 31.720 1.00 0.00 C ATOM 613 O GLY A 39 56.012 39.071 30.518 1.00 0.00 O ATOM 0 H GLY A 39 55.608 39.143 34.251 1.00 0.00 H new ATOM 0 HA2 GLY A 39 54.878 40.892 32.188 1.00 0.00 H new ATOM 0 HA3 GLY A 39 56.627 40.905 32.298 1.00 0.00 H new ATOM 617 N CYS A 40 55.655 37.851 32.369 1.00 0.00 N ATOM 618 CA CYS A 40 55.856 36.548 31.748 1.00 0.00 C ATOM 619 C CYS A 40 54.911 35.523 32.401 1.00 0.00 C ATOM 620 O CYS A 40 55.233 34.994 33.463 1.00 0.00 O ATOM 621 CB CYS A 40 57.322 36.106 31.933 1.00 0.00 C ATOM 622 SG CYS A 40 58.597 37.327 31.507 1.00 0.00 S ATOM 0 H CYS A 40 55.392 37.794 33.353 1.00 0.00 H new ATOM 0 HA CYS A 40 55.638 36.612 30.682 1.00 0.00 H new ATOM 0 HB2 CYS A 40 57.462 35.816 32.974 1.00 0.00 H new ATOM 0 HB3 CYS A 40 57.488 35.214 31.329 1.00 0.00 H new ATOM 627 N GLY A 41 53.770 35.265 31.759 1.00 0.00 N ATOM 628 CA GLY A 41 52.713 34.397 32.291 1.00 0.00 C ATOM 629 C GLY A 41 51.598 35.180 32.991 1.00 0.00 C ATOM 630 O GLY A 41 51.777 36.335 33.352 1.00 0.00 O ATOM 0 H GLY A 41 53.550 35.657 30.843 1.00 0.00 H new ATOM 0 HA2 GLY A 41 52.284 33.813 31.476 1.00 0.00 H new ATOM 0 HA3 GLY A 41 53.151 33.689 32.995 1.00 0.00 H new ATOM 634 N GLY A 42 50.446 34.539 33.132 1.00 0.00 N ATOM 635 CA GLY A 42 49.273 35.091 33.785 1.00 0.00 C ATOM 636 C GLY A 42 48.031 34.225 33.598 1.00 0.00 C ATOM 637 O GLY A 42 48.017 33.299 32.785 1.00 0.00 O ATOM 0 H GLY A 42 50.300 33.592 32.783 1.00 0.00 H new ATOM 0 HA2 GLY A 42 49.475 35.204 34.850 1.00 0.00 H new ATOM 0 HA3 GLY A 42 49.078 36.088 33.390 1.00 0.00 H new ATOM 641 N ASN A 43 46.962 34.559 34.311 1.00 0.00 N ATOM 642 CA ASN A 43 45.679 33.864 34.243 1.00 0.00 C ATOM 643 C ASN A 43 44.536 34.788 33.793 1.00 0.00 C ATOM 644 O ASN A 43 44.692 36.009 33.713 1.00 0.00 O ATOM 645 CB ASN A 43 45.414 33.201 35.610 1.00 0.00 C ATOM 646 CG ASN A 43 45.189 34.167 36.764 1.00 0.00 C ATOM 647 OD1 ASN A 43 45.275 35.378 36.654 1.00 0.00 O ATOM 648 ND2 ASN A 43 44.831 33.652 37.920 1.00 0.00 N ATOM 0 H ASN A 43 46.962 35.339 34.968 1.00 0.00 H new ATOM 0 HA ASN A 43 45.723 33.090 33.477 1.00 0.00 H new ATOM 0 HB2 ASN A 43 44.539 32.557 35.520 1.00 0.00 H new ATOM 0 HB3 ASN A 43 46.260 32.558 35.854 1.00 0.00 H new ATOM 0 HD21 ASN A 43 44.629 34.264 38.710 1.00 0.00 H new ATOM 0 HD22 ASN A 43 44.755 32.640 38.026 1.00 0.00 H new ATOM 655 N ALA A 44 43.351 34.223 33.563 1.00 0.00 N ATOM 656 CA ALA A 44 42.131 34.977 33.234 1.00 0.00 C ATOM 657 C ALA A 44 41.539 35.760 34.422 1.00 0.00 C ATOM 658 O ALA A 44 40.471 36.347 34.313 1.00 0.00 O ATOM 659 CB ALA A 44 41.118 34.002 32.627 1.00 0.00 C ATOM 0 H ALA A 44 43.204 33.214 33.599 1.00 0.00 H new ATOM 0 HA ALA A 44 42.392 35.751 32.512 1.00 0.00 H new ATOM 0 HB1 ALA A 44 40.203 34.538 32.374 1.00 0.00 H new ATOM 0 HB2 ALA A 44 41.538 33.556 31.726 1.00 0.00 H new ATOM 0 HB3 ALA A 44 40.891 33.217 33.349 1.00 0.00 H new ATOM 665 N ASN A 45 42.205 35.726 35.588 1.00 0.00 N ATOM 666 CA ASN A 45 41.784 36.420 36.805 1.00 0.00 C ATOM 667 C ASN A 45 42.581 37.731 37.011 1.00 0.00 C ATOM 668 O ASN A 45 42.581 38.289 38.097 1.00 0.00 O ATOM 669 CB ASN A 45 41.872 35.440 37.982 1.00 0.00 C ATOM 670 CG ASN A 45 40.775 35.615 39.017 1.00 0.00 C ATOM 671 OD1 ASN A 45 39.767 36.283 38.807 1.00 0.00 O ATOM 672 ND2 ASN A 45 40.899 34.975 40.151 1.00 0.00 N ATOM 0 H ASN A 45 43.071 35.201 35.708 1.00 0.00 H new ATOM 0 HA ASN A 45 40.746 36.742 36.722 1.00 0.00 H new ATOM 0 HB2 ASN A 45 41.834 34.421 37.596 1.00 0.00 H new ATOM 0 HB3 ASN A 45 42.839 35.560 38.470 1.00 0.00 H new ATOM 0 HD21 ASN A 45 40.161 35.033 40.853 1.00 0.00 H new ATOM 0 HD22 ASN A 45 41.734 34.418 40.333 1.00 0.00 H new ATOM 679 N ASN A 46 43.280 38.181 35.964 1.00 0.00 N ATOM 680 CA ASN A 46 44.077 39.399 35.941 1.00 0.00 C ATOM 681 C ASN A 46 43.163 40.628 35.806 1.00 0.00 C ATOM 682 O ASN A 46 42.515 40.834 34.788 1.00 0.00 O ATOM 683 CB ASN A 46 45.082 39.302 34.776 1.00 0.00 C ATOM 684 CG ASN A 46 44.445 39.204 33.380 1.00 0.00 C ATOM 685 OD1 ASN A 46 43.421 38.581 33.150 1.00 0.00 O ATOM 686 ND2 ASN A 46 45.053 39.804 32.392 1.00 0.00 N ATOM 0 H ASN A 46 43.303 37.681 35.075 1.00 0.00 H new ATOM 0 HA ASN A 46 44.629 39.512 36.874 1.00 0.00 H new ATOM 0 HB2 ASN A 46 45.732 40.176 34.802 1.00 0.00 H new ATOM 0 HB3 ASN A 46 45.715 38.429 34.933 1.00 0.00 H new ATOM 0 HD21 ASN A 46 44.671 39.747 31.448 1.00 0.00 H new ATOM 0 HD22 ASN A 46 45.910 40.330 32.564 1.00 0.00 H new ATOM 693 N PHE A 47 43.129 41.476 36.830 1.00 0.00 N ATOM 694 CA PHE A 47 42.325 42.697 36.825 1.00 0.00 C ATOM 695 C PHE A 47 43.172 43.967 36.971 1.00 0.00 C ATOM 696 O PHE A 47 44.256 43.944 37.556 1.00 0.00 O ATOM 697 CB PHE A 47 41.262 42.663 37.922 1.00 0.00 C ATOM 698 CG PHE A 47 40.457 41.396 38.095 1.00 0.00 C ATOM 699 CD1 PHE A 47 40.089 40.583 37.013 1.00 0.00 C ATOM 700 CD2 PHE A 47 40.037 41.060 39.390 1.00 0.00 C ATOM 701 CE1 PHE A 47 39.343 39.417 37.226 1.00 0.00 C ATOM 702 CE2 PHE A 47 39.200 39.963 39.583 1.00 0.00 C ATOM 703 CZ PHE A 47 38.854 39.121 38.511 1.00 0.00 C ATOM 0 H PHE A 47 43.660 41.336 37.690 1.00 0.00 H new ATOM 0 HA PHE A 47 41.839 42.732 35.850 1.00 0.00 H new ATOM 0 HB2 PHE A 47 41.755 42.877 38.870 1.00 0.00 H new ATOM 0 HB3 PHE A 47 40.564 43.479 37.735 1.00 0.00 H new ATOM 0 HD1 PHE A 47 40.382 40.858 36.011 1.00 0.00 H new ATOM 0 HD2 PHE A 47 40.361 41.650 40.235 1.00 0.00 H new ATOM 0 HE1 PHE A 47 39.143 38.746 36.404 1.00 0.00 H new ATOM 0 HE2 PHE A 47 38.812 39.756 40.569 1.00 0.00 H new ATOM 0 HZ PHE A 47 38.222 38.260 38.672 1.00 0.00 H new ATOM 713 N GLU A 48 42.617 45.088 36.546 1.00 0.00 N ATOM 714 CA GLU A 48 43.194 46.426 36.693 1.00 0.00 C ATOM 715 C GLU A 48 43.015 46.994 38.110 1.00 0.00 C ATOM 716 O GLU A 48 43.973 47.470 38.711 1.00 0.00 O ATOM 717 CB GLU A 48 42.518 47.371 35.689 1.00 0.00 C ATOM 718 CG GLU A 48 43.052 47.196 34.258 1.00 0.00 C ATOM 719 CD GLU A 48 44.548 47.502 34.197 1.00 0.00 C ATOM 720 OE1 GLU A 48 45.346 46.609 33.850 1.00 0.00 O ATOM 721 OE2 GLU A 48 44.958 48.610 34.597 1.00 0.00 O ATOM 0 H GLU A 48 41.716 45.099 36.069 1.00 0.00 H new ATOM 0 HA GLU A 48 44.265 46.346 36.504 1.00 0.00 H new ATOM 0 HB2 GLU A 48 41.443 47.193 35.696 1.00 0.00 H new ATOM 0 HB3 GLU A 48 42.672 48.402 36.006 1.00 0.00 H new ATOM 0 HG2 GLU A 48 42.871 46.176 33.919 1.00 0.00 H new ATOM 0 HG3 GLU A 48 42.513 47.858 33.580 1.00 0.00 H new ATOM 728 N THR A 49 41.798 46.965 38.636 1.00 0.00 N ATOM 729 CA THR A 49 41.459 47.511 39.964 1.00 0.00 C ATOM 730 C THR A 49 40.281 46.783 40.596 1.00 0.00 C ATOM 731 O THR A 49 39.576 45.990 39.946 1.00 0.00 O ATOM 732 CB THR A 49 41.163 49.018 39.935 1.00 0.00 C ATOM 733 OG1 THR A 49 40.065 49.269 39.079 1.00 0.00 O ATOM 734 CG2 THR A 49 42.321 49.907 39.512 1.00 0.00 C ATOM 0 H THR A 49 40.998 46.557 38.152 1.00 0.00 H new ATOM 0 HA THR A 49 42.349 47.351 40.573 1.00 0.00 H new ATOM 0 HB THR A 49 40.949 49.280 40.971 1.00 0.00 H new ATOM 0 HG1 THR A 49 39.876 50.230 39.063 1.00 0.00 H new ATOM 0 HG21 THR A 49 42.003 50.950 39.526 1.00 0.00 H new ATOM 0 HG22 THR A 49 43.154 49.772 40.202 1.00 0.00 H new ATOM 0 HG23 THR A 49 42.637 49.638 38.504 1.00 0.00 H new ATOM 742 N ARG A 50 39.944 47.118 41.845 1.00 0.00 N ATOM 743 CA ARG A 50 38.702 46.669 42.506 1.00 0.00 C ATOM 744 C ARG A 50 37.434 46.989 41.710 1.00 0.00 C ATOM 745 O ARG A 50 36.402 46.360 41.930 1.00 0.00 O ATOM 746 CB ARG A 50 38.574 47.258 43.922 1.00 0.00 C ATOM 747 CG ARG A 50 39.840 47.109 44.786 1.00 0.00 C ATOM 748 CD ARG A 50 39.547 47.257 46.287 1.00 0.00 C ATOM 749 NE ARG A 50 38.825 48.511 46.611 1.00 0.00 N ATOM 750 CZ ARG A 50 37.948 48.689 47.585 1.00 0.00 C ATOM 751 NH1 ARG A 50 37.623 47.721 48.394 1.00 0.00 N ATOM 752 NH2 ARG A 50 37.386 49.844 47.769 1.00 0.00 N ATOM 0 H ARG A 50 40.526 47.713 42.435 1.00 0.00 H new ATOM 0 HA ARG A 50 38.787 45.584 42.563 1.00 0.00 H new ATOM 0 HB2 ARG A 50 38.325 48.316 43.842 1.00 0.00 H new ATOM 0 HB3 ARG A 50 37.741 46.773 44.431 1.00 0.00 H new ATOM 0 HG2 ARG A 50 40.290 46.133 44.601 1.00 0.00 H new ATOM 0 HG3 ARG A 50 40.572 47.859 44.486 1.00 0.00 H new ATOM 0 HD2 ARG A 50 38.955 46.405 46.623 1.00 0.00 H new ATOM 0 HD3 ARG A 50 40.486 47.230 46.840 1.00 0.00 H new ATOM 0 HE ARG A 50 39.025 49.319 46.022 1.00 0.00 H new ATOM 0 HH11 ARG A 50 38.048 46.800 48.284 1.00 0.00 H new ATOM 0 HH12 ARG A 50 36.944 47.884 49.137 1.00 0.00 H new ATOM 0 HH21 ARG A 50 37.619 50.628 47.159 1.00 0.00 H new ATOM 0 HH22 ARG A 50 36.711 49.968 48.524 1.00 0.00 H new ATOM 766 N ALA A 51 37.459 47.963 40.793 1.00 0.00 N ATOM 767 CA ALA A 51 36.320 48.264 39.926 1.00 0.00 C ATOM 768 C ALA A 51 36.146 47.234 38.805 1.00 0.00 C ATOM 769 O ALA A 51 35.019 46.819 38.504 1.00 0.00 O ATOM 770 CB ALA A 51 36.502 49.682 39.365 1.00 0.00 C ATOM 0 H ALA A 51 38.269 48.562 40.633 1.00 0.00 H new ATOM 0 HA ALA A 51 35.404 48.211 40.515 1.00 0.00 H new ATOM 0 HB1 ALA A 51 35.662 49.927 38.715 1.00 0.00 H new ATOM 0 HB2 ALA A 51 36.544 50.396 40.187 1.00 0.00 H new ATOM 0 HB3 ALA A 51 37.429 49.731 38.794 1.00 0.00 H new ATOM 776 N GLU A 52 37.247 46.791 38.192 1.00 0.00 N ATOM 777 CA GLU A 52 37.244 45.724 37.200 1.00 0.00 C ATOM 778 C GLU A 52 36.932 44.375 37.842 1.00 0.00 C ATOM 779 O GLU A 52 36.047 43.681 37.352 1.00 0.00 O ATOM 780 CB GLU A 52 38.560 45.693 36.443 1.00 0.00 C ATOM 781 CG GLU A 52 38.568 44.505 35.472 1.00 0.00 C ATOM 782 CD GLU A 52 39.589 44.759 34.375 1.00 0.00 C ATOM 783 OE1 GLU A 52 39.177 45.346 33.352 1.00 0.00 O ATOM 784 OE2 GLU A 52 40.764 44.444 34.641 1.00 0.00 O ATOM 0 H GLU A 52 38.175 47.171 38.376 1.00 0.00 H new ATOM 0 HA GLU A 52 36.451 45.929 36.480 1.00 0.00 H new ATOM 0 HB2 GLU A 52 38.697 46.625 35.894 1.00 0.00 H new ATOM 0 HB3 GLU A 52 39.392 45.609 37.143 1.00 0.00 H new ATOM 0 HG2 GLU A 52 38.812 43.586 36.006 1.00 0.00 H new ATOM 0 HG3 GLU A 52 37.577 44.369 35.038 1.00 0.00 H new ATOM 791 N CYS A 53 37.502 44.080 39.011 1.00 0.00 N ATOM 792 CA CYS A 53 37.209 42.832 39.742 1.00 0.00 C ATOM 793 C CYS A 53 35.703 42.597 39.962 1.00 0.00 C ATOM 794 O CYS A 53 35.226 41.462 40.053 1.00 0.00 O ATOM 795 CB CYS A 53 37.937 42.850 41.088 1.00 0.00 C ATOM 796 SG CYS A 53 36.959 43.340 42.540 1.00 0.00 S ATOM 0 H CYS A 53 38.174 44.688 39.480 1.00 0.00 H new ATOM 0 HA CYS A 53 37.565 42.007 39.125 1.00 0.00 H new ATOM 0 HB2 CYS A 53 38.340 41.854 41.270 1.00 0.00 H new ATOM 0 HB3 CYS A 53 38.787 43.528 41.006 1.00 0.00 H new ATOM 801 N ARG A 54 34.931 43.689 40.028 1.00 0.00 N ATOM 802 CA ARG A 54 33.472 43.653 40.046 1.00 0.00 C ATOM 803 C ARG A 54 32.919 43.267 38.682 1.00 0.00 C ATOM 804 O ARG A 54 32.229 42.278 38.573 1.00 0.00 O ATOM 805 CB ARG A 54 32.910 44.980 40.539 1.00 0.00 C ATOM 806 CG ARG A 54 33.265 45.245 42.016 1.00 0.00 C ATOM 807 CD ARG A 54 32.772 46.623 42.438 1.00 0.00 C ATOM 808 NE ARG A 54 31.302 46.647 42.486 1.00 0.00 N ATOM 809 CZ ARG A 54 30.552 47.691 42.782 1.00 0.00 C ATOM 810 NH1 ARG A 54 31.050 48.878 42.970 1.00 0.00 N ATOM 811 NH2 ARG A 54 29.254 47.548 42.900 1.00 0.00 N ATOM 0 H ARG A 54 35.313 44.634 40.071 1.00 0.00 H new ATOM 0 HA ARG A 54 33.152 42.883 40.748 1.00 0.00 H new ATOM 0 HB2 ARG A 54 33.299 45.790 39.922 1.00 0.00 H new ATOM 0 HB3 ARG A 54 31.826 44.981 40.421 1.00 0.00 H new ATOM 0 HG2 ARG A 54 32.814 44.480 42.649 1.00 0.00 H new ATOM 0 HG3 ARG A 54 34.344 45.179 42.156 1.00 0.00 H new ATOM 0 HD2 ARG A 54 33.179 46.878 43.417 1.00 0.00 H new ATOM 0 HD3 ARG A 54 33.132 47.376 41.737 1.00 0.00 H new ATOM 0 HE ARG A 54 30.818 45.776 42.270 1.00 0.00 H new ATOM 0 HH11 ARG A 54 32.056 49.028 42.890 1.00 0.00 H new ATOM 0 HH12 ARG A 54 30.435 49.659 43.197 1.00 0.00 H new ATOM 0 HH21 ARG A 54 28.827 46.632 42.763 1.00 0.00 H new ATOM 0 HH22 ARG A 54 28.671 48.353 43.129 1.00 0.00 H new ATOM 825 N HIS A 55 33.234 44.032 37.635 1.00 0.00 N ATOM 826 CA HIS A 55 32.720 43.767 36.289 1.00 0.00 C ATOM 827 C HIS A 55 33.112 42.387 35.748 1.00 0.00 C ATOM 828 O HIS A 55 32.373 41.852 34.926 1.00 0.00 O ATOM 829 CB HIS A 55 33.152 44.884 35.339 1.00 0.00 C ATOM 830 CG HIS A 55 32.520 46.210 35.682 1.00 0.00 C ATOM 831 ND1 HIS A 55 33.034 47.152 36.552 1.00 0.00 N ATOM 832 CD2 HIS A 55 31.391 46.733 35.114 1.00 0.00 C ATOM 833 CE1 HIS A 55 32.251 48.253 36.488 1.00 0.00 C ATOM 834 NE2 HIS A 55 31.239 48.016 35.626 1.00 0.00 N ATOM 0 H HIS A 55 33.847 44.845 37.694 1.00 0.00 H new ATOM 0 HA HIS A 55 31.632 43.753 36.357 1.00 0.00 H new ATOM 0 HB2 HIS A 55 34.237 44.983 35.370 1.00 0.00 H new ATOM 0 HB3 HIS A 55 32.886 44.611 34.318 1.00 0.00 H new ATOM 0 HD1 HIS A 55 33.860 47.037 37.140 1.00 0.00 H new ATOM 0 HD2 HIS A 55 30.742 46.243 34.404 1.00 0.00 H new ATOM 0 HE1 HIS A 55 32.409 49.170 37.036 1.00 0.00 H new ATOM 843 N THR A 56 34.201 41.803 36.256 1.00 0.00 N ATOM 844 CA THR A 56 34.694 40.475 35.893 1.00 0.00 C ATOM 845 C THR A 56 34.212 39.367 36.844 1.00 0.00 C ATOM 846 O THR A 56 34.182 38.204 36.453 1.00 0.00 O ATOM 847 CB THR A 56 36.223 40.502 35.805 1.00 0.00 C ATOM 848 OG1 THR A 56 36.637 41.661 35.134 1.00 0.00 O ATOM 849 CG2 THR A 56 36.772 39.312 35.011 1.00 0.00 C ATOM 0 H THR A 56 34.784 42.261 36.957 1.00 0.00 H new ATOM 0 HA THR A 56 34.275 40.228 34.918 1.00 0.00 H new ATOM 0 HB THR A 56 36.598 40.467 36.828 1.00 0.00 H new ATOM 0 HG1 THR A 56 36.588 42.427 35.743 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.860 39.370 34.973 1.00 0.00 H new ATOM 0 HG22 THR A 56 36.475 38.382 35.497 1.00 0.00 H new ATOM 0 HG23 THR A 56 36.372 39.335 33.997 1.00 0.00 H new ATOM 857 N CYS A 57 33.794 39.711 38.074 1.00 0.00 N ATOM 858 CA CYS A 57 33.311 38.723 39.044 1.00 0.00 C ATOM 859 C CYS A 57 32.169 39.267 39.926 1.00 0.00 C ATOM 860 O CYS A 57 31.055 38.755 39.916 1.00 0.00 O ATOM 861 CB CYS A 57 34.491 38.212 39.882 1.00 0.00 C ATOM 862 SG CYS A 57 34.432 36.434 40.205 1.00 0.00 S ATOM 0 H CYS A 57 33.782 40.671 38.418 1.00 0.00 H new ATOM 0 HA CYS A 57 32.880 37.887 38.494 1.00 0.00 H new ATOM 0 HB2 CYS A 57 35.422 38.449 39.366 1.00 0.00 H new ATOM 0 HB3 CYS A 57 34.509 38.745 40.832 1.00 0.00 H new ATOM 867 N VAL A 58 32.392 40.345 40.687 1.00 0.00 N ATOM 868 CA VAL A 58 31.380 40.931 41.608 1.00 0.00 C ATOM 869 C VAL A 58 30.435 41.936 40.926 1.00 0.00 C ATOM 870 O VAL A 58 30.355 43.108 41.327 1.00 0.00 O ATOM 871 CB VAL A 58 32.031 41.498 42.890 1.00 0.00 C ATOM 872 CG1 VAL A 58 30.995 41.675 44.015 1.00 0.00 C ATOM 873 CG2 VAL A 58 33.134 40.604 43.421 1.00 0.00 C ATOM 0 H VAL A 58 33.280 40.846 40.690 1.00 0.00 H new ATOM 0 HA VAL A 58 30.738 40.105 41.914 1.00 0.00 H new ATOM 0 HB VAL A 58 32.451 42.462 42.602 1.00 0.00 H new ATOM 0 HG11 VAL A 58 31.486 42.075 44.902 1.00 0.00 H new ATOM 0 HG12 VAL A 58 30.217 42.365 43.688 1.00 0.00 H new ATOM 0 HG13 VAL A 58 30.547 40.710 44.253 1.00 0.00 H new ATOM 0 HG21 VAL A 58 33.559 41.047 44.322 1.00 0.00 H new ATOM 0 HG22 VAL A 58 32.724 39.622 43.658 1.00 0.00 H new ATOM 0 HG23 VAL A 58 33.913 40.500 42.666 1.00 0.00 H new