USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 277 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 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -111:sc= 0.108 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -167:sc=-0.000581 (180deg=-0.112) USER MOD Single : A 48 ASN : amide:sc= 0.147 X(o=0.15,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -145:sc= -0.0176 (180deg=-1.15) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 61 SER OG : rot 136:sc= 0.605 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0913 X(o=-0.091,f=-0.21) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= 0.248 (180deg=0.133) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 37 23.156 36.305 15.448 1.00 20.00 N ATOM 2 CA LEU A 37 24.349 35.697 14.819 1.00 20.00 C ATOM 3 C LEU A 37 24.331 34.186 15.049 1.00 20.00 C ATOM 4 O LEU A 37 24.302 33.711 16.184 1.00 20.00 O ATOM 5 CB LEU A 37 25.631 36.376 15.324 1.00 20.00 C ATOM 6 CG LEU A 37 26.899 35.954 14.537 1.00 20.00 C ATOM 7 CD1 LEU A 37 27.851 37.155 14.386 1.00 20.00 C ATOM 8 CD2 LEU A 37 27.665 34.820 15.248 1.00 20.00 C ATOM 0 HA LEU A 37 24.329 35.859 13.741 1.00 20.00 H new ATOM 0 HB2 LEU A 37 25.512 37.457 15.256 1.00 20.00 H new ATOM 0 HB3 LEU A 37 25.770 36.137 16.378 1.00 20.00 H new ATOM 0 HG LEU A 37 26.566 35.599 13.562 1.00 20.00 H new ATOM 0 HD11 LEU A 37 28.738 36.849 13.832 1.00 20.00 H new ATOM 0 HD12 LEU A 37 27.345 37.955 13.846 1.00 20.00 H new ATOM 0 HD13 LEU A 37 28.145 37.513 15.373 1.00 20.00 H new ATOM 0 HD21 LEU A 37 28.546 34.554 14.664 1.00 20.00 H new ATOM 0 HD22 LEU A 37 27.973 35.155 16.238 1.00 20.00 H new ATOM 0 HD23 LEU A 37 27.018 33.949 15.345 1.00 20.00 H new ATOM 20 N THR A 38 24.330 33.436 13.943 1.00 20.00 N ATOM 21 CA THR A 38 24.261 31.971 13.915 1.00 20.00 C ATOM 22 C THR A 38 25.615 31.365 14.288 1.00 20.00 C ATOM 23 O THR A 38 26.656 31.875 13.893 1.00 20.00 O ATOM 24 CB THR A 38 23.834 31.506 12.504 1.00 20.00 C ATOM 25 OG1 THR A 38 22.654 32.170 12.101 1.00 20.00 O ATOM 26 CG2 THR A 38 23.567 29.993 12.428 1.00 20.00 C ATOM 0 H THR A 38 24.379 33.846 13.010 1.00 20.00 H new ATOM 0 HA THR A 38 23.525 31.632 14.644 1.00 20.00 H new ATOM 0 HB THR A 38 24.668 31.748 11.846 1.00 20.00 H new ATOM 0 HG1 THR A 38 22.397 31.866 11.205 1.00 20.00 H new ATOM 0 HG21 THR A 38 23.271 29.726 11.413 1.00 20.00 H new ATOM 0 HG22 THR A 38 24.473 29.450 12.696 1.00 20.00 H new ATOM 0 HG23 THR A 38 22.767 29.729 13.120 1.00 20.00 H new ATOM 34 N GLY A 39 25.567 30.249 15.019 1.00 20.00 N ATOM 35 CA GLY A 39 26.699 29.457 15.459 1.00 20.00 C ATOM 36 C GLY A 39 26.923 29.544 16.969 1.00 20.00 C ATOM 37 O GLY A 39 26.459 30.476 17.630 1.00 20.00 O ATOM 0 H GLY A 39 24.679 29.858 15.334 1.00 20.00 H new ATOM 0 HA2 GLY A 39 26.541 28.416 15.178 1.00 20.00 H new ATOM 0 HA3 GLY A 39 27.597 29.794 14.942 1.00 20.00 H new ATOM 41 N CYS A 40 27.668 28.557 17.477 1.00 20.00 N ATOM 42 CA CYS A 40 28.090 28.409 18.873 1.00 20.00 C ATOM 43 C CYS A 40 29.583 28.045 18.952 1.00 20.00 C ATOM 44 O CYS A 40 30.241 27.874 17.924 1.00 20.00 O ATOM 45 CB CYS A 40 27.178 27.372 19.553 1.00 20.00 C ATOM 46 SG CYS A 40 25.431 27.873 19.633 1.00 20.00 S ATOM 0 H CYS A 40 28.012 27.796 16.891 1.00 20.00 H new ATOM 0 HA CYS A 40 27.985 29.353 19.408 1.00 20.00 H new ATOM 0 HB2 CYS A 40 27.251 26.428 19.013 1.00 20.00 H new ATOM 0 HB3 CYS A 40 27.541 27.190 20.565 1.00 20.00 H new ATOM 51 N LYS A 41 30.120 27.940 20.180 1.00 20.00 N ATOM 52 CA LYS A 41 31.523 27.575 20.444 1.00 20.00 C ATOM 53 C LYS A 41 31.695 26.476 21.508 1.00 20.00 C ATOM 54 O LYS A 41 32.743 25.832 21.537 1.00 20.00 O ATOM 55 CB LYS A 41 32.340 28.819 20.847 1.00 20.00 C ATOM 56 CG LYS A 41 32.712 29.697 19.637 1.00 20.00 C ATOM 57 CD LYS A 41 33.778 30.749 19.991 1.00 20.00 C ATOM 58 CE LYS A 41 33.236 31.911 20.831 1.00 20.00 C ATOM 59 NZ LYS A 41 32.581 32.932 19.992 1.00 20.00 N ATOM 0 H LYS A 41 29.583 28.109 21.031 1.00 20.00 H new ATOM 0 HA LYS A 41 31.899 27.163 19.508 1.00 20.00 H new ATOM 0 HB2 LYS A 41 31.766 29.412 21.559 1.00 20.00 H new ATOM 0 HB3 LYS A 41 33.250 28.503 21.356 1.00 20.00 H new ATOM 0 HG2 LYS A 41 33.082 29.064 18.830 1.00 20.00 H new ATOM 0 HG3 LYS A 41 31.818 30.198 19.265 1.00 20.00 H new ATOM 0 HD2 LYS A 41 34.588 30.264 20.536 1.00 20.00 H new ATOM 0 HD3 LYS A 41 34.206 31.145 19.070 1.00 20.00 H new ATOM 0 HE2 LYS A 41 32.524 31.530 21.563 1.00 20.00 H new ATOM 0 HE3 LYS A 41 34.053 32.368 21.389 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 33.154 33.800 19.991 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 32.490 32.576 19.019 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 31.636 33.141 20.374 1.00 20.00 H new ATOM 73 N GLY A 42 30.685 26.237 22.358 1.00 20.00 N ATOM 74 CA GLY A 42 30.670 25.161 23.345 1.00 20.00 C ATOM 75 C GLY A 42 31.460 25.437 24.629 1.00 20.00 C ATOM 76 O GLY A 42 31.498 24.563 25.490 1.00 20.00 O ATOM 0 H GLY A 42 29.837 26.804 22.374 1.00 20.00 H new ATOM 0 HA2 GLY A 42 29.635 24.951 23.613 1.00 20.00 H new ATOM 0 HA3 GLY A 42 31.068 24.259 22.880 1.00 20.00 H new ATOM 80 N LYS A 43 32.081 26.621 24.770 1.00 20.00 N ATOM 81 CA LYS A 43 32.808 27.056 25.963 1.00 20.00 C ATOM 82 C LYS A 43 31.962 28.066 26.745 1.00 20.00 C ATOM 83 O LYS A 43 31.636 27.817 27.906 1.00 20.00 O ATOM 84 CB LYS A 43 34.172 27.673 25.591 1.00 20.00 C ATOM 85 CG LYS A 43 35.294 26.661 25.327 1.00 20.00 C ATOM 86 CD LYS A 43 35.125 25.861 24.022 1.00 20.00 C ATOM 87 CE LYS A 43 36.391 25.060 23.698 1.00 20.00 C ATOM 88 NZ LYS A 43 37.502 25.926 23.257 1.00 20.00 N ATOM 0 H LYS A 43 32.087 27.321 24.028 1.00 20.00 H new ATOM 0 HA LYS A 43 32.997 26.183 26.588 1.00 20.00 H new ATOM 0 HB2 LYS A 43 34.044 28.290 24.702 1.00 20.00 H new ATOM 0 HB3 LYS A 43 34.485 28.337 26.397 1.00 20.00 H new ATOM 0 HG2 LYS A 43 36.246 27.191 25.295 1.00 20.00 H new ATOM 0 HG3 LYS A 43 35.345 25.964 26.164 1.00 20.00 H new ATOM 0 HD2 LYS A 43 34.276 25.184 24.114 1.00 20.00 H new ATOM 0 HD3 LYS A 43 34.902 26.542 23.201 1.00 20.00 H new ATOM 0 HE2 LYS A 43 36.699 24.498 24.580 1.00 20.00 H new ATOM 0 HE3 LYS A 43 36.168 24.332 22.918 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 38.255 25.341 22.843 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 37.155 26.600 22.544 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 37.880 26.449 24.073 1.00 20.00 H new ATOM 102 N GLY A 44 31.603 29.194 26.115 1.00 20.00 N ATOM 103 CA GLY A 44 30.822 30.271 26.719 1.00 20.00 C ATOM 104 C GLY A 44 29.325 29.958 26.864 1.00 20.00 C ATOM 105 O GLY A 44 28.619 30.740 27.499 1.00 20.00 O ATOM 0 H GLY A 44 31.857 29.383 25.145 1.00 20.00 H new ATOM 0 HA2 GLY A 44 31.232 30.494 27.704 1.00 20.00 H new ATOM 0 HA3 GLY A 44 30.937 31.171 26.115 1.00 20.00 H new ATOM 109 N GLY A 45 28.851 28.837 26.302 1.00 20.00 N ATOM 110 CA GLY A 45 27.485 28.349 26.418 1.00 20.00 C ATOM 111 C GLY A 45 27.440 26.827 26.560 1.00 20.00 C ATOM 112 O GLY A 45 28.464 26.147 26.451 1.00 20.00 O ATOM 0 H GLY A 45 29.438 28.227 25.733 1.00 20.00 H new ATOM 0 HA2 GLY A 45 27.006 28.810 27.282 1.00 20.00 H new ATOM 0 HA3 GLY A 45 26.915 28.650 25.539 1.00 20.00 H new ATOM 116 N GLU A 46 26.238 26.303 26.831 1.00 20.00 N ATOM 117 CA GLU A 46 25.996 24.896 27.158 1.00 20.00 C ATOM 118 C GLU A 46 24.722 24.364 26.485 1.00 20.00 C ATOM 119 O GLU A 46 23.925 25.124 25.928 1.00 20.00 O ATOM 120 CB GLU A 46 25.904 24.725 28.687 1.00 20.00 C ATOM 121 CG GLU A 46 27.227 25.039 29.402 1.00 20.00 C ATOM 122 CD GLU A 46 27.153 24.783 30.906 1.00 20.00 C ATOM 123 OE1 GLU A 46 26.247 25.364 31.546 1.00 20.00 O ATOM 124 OE2 GLU A 46 28.012 24.018 31.402 1.00 20.00 O ATOM 0 H GLU A 46 25.385 26.863 26.828 1.00 20.00 H new ATOM 0 HA GLU A 46 26.834 24.313 26.775 1.00 20.00 H new ATOM 0 HB2 GLU A 46 25.123 25.379 29.075 1.00 20.00 H new ATOM 0 HB3 GLU A 46 25.606 23.702 28.916 1.00 20.00 H new ATOM 0 HG2 GLU A 46 28.022 24.430 28.972 1.00 20.00 H new ATOM 0 HG3 GLU A 46 27.493 26.081 29.227 1.00 20.00 H new ATOM 131 N CYS A 47 24.547 23.036 26.565 1.00 20.00 N ATOM 132 CA CYS A 47 23.359 22.307 26.148 1.00 20.00 C ATOM 133 C CYS A 47 22.257 22.445 27.206 1.00 20.00 C ATOM 134 O CYS A 47 22.036 21.549 28.017 1.00 20.00 O ATOM 135 CB CYS A 47 23.743 20.848 25.880 1.00 20.00 C ATOM 136 SG CYS A 47 24.862 20.640 24.475 1.00 20.00 S ATOM 0 H CYS A 47 25.269 22.421 26.941 1.00 20.00 H new ATOM 0 HA CYS A 47 22.957 22.723 25.224 1.00 20.00 H new ATOM 0 HB2 CYS A 47 24.213 20.435 26.772 1.00 20.00 H new ATOM 0 HB3 CYS A 47 22.837 20.270 25.701 1.00 20.00 H new ATOM 141 N ASN A 48 21.585 23.601 27.196 1.00 20.00 N ATOM 142 CA ASN A 48 20.514 23.962 28.122 1.00 20.00 C ATOM 143 C ASN A 48 19.193 23.267 27.750 1.00 20.00 C ATOM 144 O ASN A 48 19.003 22.906 26.588 1.00 20.00 O ATOM 145 CB ASN A 48 20.351 25.494 28.099 1.00 20.00 C ATOM 146 CG ASN A 48 21.420 26.186 28.952 1.00 20.00 C ATOM 147 OD1 ASN A 48 21.196 26.442 30.131 1.00 20.00 O ATOM 148 ND2 ASN A 48 22.593 26.462 28.384 1.00 20.00 N ATOM 0 H ASN A 48 21.782 24.336 26.517 1.00 20.00 H new ATOM 0 HA ASN A 48 20.775 23.629 29.126 1.00 20.00 H new ATOM 0 HB2 ASN A 48 20.416 25.852 27.072 1.00 20.00 H new ATOM 0 HB3 ASN A 48 19.361 25.761 28.468 1.00 20.00 H new ATOM 0 HD21 ASN A 48 23.335 26.898 28.932 1.00 20.00 H new ATOM 0 HD22 ASN A 48 22.749 26.237 27.401 1.00 20.00 H new ATOM 155 N PRO A 49 18.253 23.120 28.707 1.00 20.00 N ATOM 156 CA PRO A 49 16.939 22.551 28.445 1.00 20.00 C ATOM 157 C PRO A 49 16.107 23.497 27.569 1.00 20.00 C ATOM 158 O PRO A 49 16.312 24.711 27.585 1.00 20.00 O ATOM 159 CB PRO A 49 16.297 22.348 29.827 1.00 20.00 C ATOM 160 CG PRO A 49 16.946 23.435 30.686 1.00 20.00 C ATOM 161 CD PRO A 49 18.361 23.518 30.107 1.00 20.00 C ATOM 0 HA PRO A 49 17.000 21.610 27.899 1.00 20.00 H new ATOM 0 HB2 PRO A 49 15.214 22.462 29.787 1.00 20.00 H new ATOM 0 HB3 PRO A 49 16.499 21.352 30.221 1.00 20.00 H new ATOM 0 HG2 PRO A 49 16.418 24.385 30.604 1.00 20.00 H new ATOM 0 HG3 PRO A 49 16.955 23.165 31.742 1.00 20.00 H new ATOM 0 HD2 PRO A 49 18.759 24.529 30.195 1.00 20.00 H new ATOM 0 HD3 PRO A 49 19.042 22.860 30.647 1.00 20.00 H new ATOM 169 N LEU A 50 15.152 22.934 26.825 1.00 20.00 N ATOM 170 CA LEU A 50 14.263 23.646 25.911 1.00 20.00 C ATOM 171 C LEU A 50 13.358 24.639 26.639 1.00 20.00 C ATOM 172 O LEU A 50 13.027 25.696 26.102 1.00 20.00 O ATOM 173 CB LEU A 50 13.393 22.618 25.174 1.00 20.00 C ATOM 174 CG LEU A 50 14.214 21.620 24.329 1.00 20.00 C ATOM 175 CD1 LEU A 50 13.324 20.421 23.982 1.00 20.00 C ATOM 176 CD2 LEU A 50 14.753 22.288 23.057 1.00 20.00 C ATOM 0 H LEU A 50 14.972 21.930 26.845 1.00 20.00 H new ATOM 0 HA LEU A 50 14.879 24.214 25.214 1.00 20.00 H new ATOM 0 HB2 LEU A 50 12.800 22.065 25.902 1.00 20.00 H new ATOM 0 HB3 LEU A 50 12.692 23.143 24.525 1.00 20.00 H new ATOM 0 HG LEU A 50 15.076 21.281 24.904 1.00 20.00 H new ATOM 0 HD11 LEU A 50 13.892 19.707 23.385 1.00 20.00 H new ATOM 0 HD12 LEU A 50 12.988 19.939 24.900 1.00 20.00 H new ATOM 0 HD13 LEU A 50 12.459 20.763 23.414 1.00 20.00 H new ATOM 0 HD21 LEU A 50 15.327 21.563 22.481 1.00 20.00 H new ATOM 0 HD22 LEU A 50 13.920 22.651 22.456 1.00 20.00 H new ATOM 0 HD23 LEU A 50 15.395 23.125 23.330 1.00 20.00 H new ATOM 188 N ASP A 51 12.977 24.288 27.872 1.00 20.00 N ATOM 189 CA ASP A 51 12.193 25.099 28.810 1.00 20.00 C ATOM 190 C ASP A 51 12.890 26.406 29.221 1.00 20.00 C ATOM 191 O ASP A 51 12.210 27.311 29.704 1.00 20.00 O ATOM 192 CB ASP A 51 11.874 24.229 30.037 1.00 20.00 C ATOM 193 CG ASP A 51 11.017 23.015 29.672 1.00 20.00 C ATOM 194 OD1 ASP A 51 11.598 21.948 29.372 1.00 20.00 O ATOM 195 OD2 ASP A 51 9.778 23.181 29.681 1.00 20.00 O ATOM 0 H ASP A 51 13.221 23.379 28.264 1.00 20.00 H new ATOM 0 HA ASP A 51 11.277 25.414 28.310 1.00 20.00 H new ATOM 0 HB2 ASP A 51 12.804 23.892 30.494 1.00 20.00 H new ATOM 0 HB3 ASP A 51 11.353 24.830 30.782 1.00 20.00 H new ATOM 200 N ARG A 52 14.206 26.539 28.987 1.00 20.00 N ATOM 201 CA ARG A 52 14.955 27.782 29.140 1.00 20.00 C ATOM 202 C ARG A 52 14.512 28.769 28.059 1.00 20.00 C ATOM 203 O ARG A 52 14.515 28.433 26.872 1.00 20.00 O ATOM 204 CB ARG A 52 16.462 27.510 29.002 1.00 20.00 C ATOM 205 CG ARG A 52 17.341 28.706 29.356 1.00 20.00 C ATOM 206 CD ARG A 52 17.304 28.980 30.864 1.00 20.00 C ATOM 207 NE ARG A 52 18.513 29.691 31.308 1.00 20.00 N ATOM 208 CZ ARG A 52 18.742 31.017 31.226 1.00 20.00 C ATOM 209 NH1 ARG A 52 17.833 31.866 30.750 1.00 20.00 N ATOM 210 NH2 ARG A 52 19.918 31.487 31.650 1.00 20.00 N ATOM 0 H ARG A 52 14.787 25.760 28.678 1.00 20.00 H new ATOM 0 HA ARG A 52 14.761 28.202 30.127 1.00 20.00 H new ATOM 0 HB2 ARG A 52 16.730 26.672 29.645 1.00 20.00 H new ATOM 0 HB3 ARG A 52 16.674 27.206 27.977 1.00 20.00 H new ATOM 0 HG2 ARG A 52 18.367 28.515 29.041 1.00 20.00 H new ATOM 0 HG3 ARG A 52 17.000 29.587 28.813 1.00 20.00 H new ATOM 0 HD2 ARG A 52 16.422 29.572 31.107 1.00 20.00 H new ATOM 0 HD3 ARG A 52 17.214 28.038 31.405 1.00 20.00 H new ATOM 0 HE ARG A 52 19.253 29.123 31.720 1.00 20.00 H new ATOM 0 HH11 ARG A 52 16.928 31.519 30.432 1.00 20.00 H new ATOM 0 HH12 ARG A 52 18.042 32.863 30.703 1.00 20.00 H new ATOM 0 HH21 ARG A 52 20.618 30.847 32.025 1.00 20.00 H new ATOM 0 HH22 ARG A 52 20.116 32.486 31.599 1.00 20.00 H new ATOM 224 N GLN A 53 14.171 29.999 28.469 1.00 20.00 N ATOM 225 CA GLN A 53 13.896 31.106 27.552 1.00 20.00 C ATOM 226 C GLN A 53 15.221 31.592 26.956 1.00 20.00 C ATOM 227 O GLN A 53 15.933 32.390 27.568 1.00 20.00 O ATOM 228 CB GLN A 53 13.131 32.248 28.240 1.00 20.00 C ATOM 229 CG GLN A 53 11.744 31.829 28.723 1.00 20.00 C ATOM 230 CD GLN A 53 10.948 33.043 29.212 1.00 20.00 C ATOM 231 OE1 GLN A 53 10.262 33.694 28.428 1.00 20.00 O ATOM 232 NE2 GLN A 53 11.044 33.375 30.502 1.00 20.00 N ATOM 0 H GLN A 53 14.079 30.252 29.453 1.00 20.00 H new ATOM 0 HA GLN A 53 13.247 30.751 26.751 1.00 20.00 H new ATOM 0 HB2 GLN A 53 13.712 32.608 29.089 1.00 20.00 H new ATOM 0 HB3 GLN A 53 13.032 33.082 27.545 1.00 20.00 H new ATOM 0 HG2 GLN A 53 11.205 31.338 27.913 1.00 20.00 H new ATOM 0 HG3 GLN A 53 11.839 31.102 29.530 1.00 20.00 H new ATOM 0 HE21 GLN A 53 11.621 32.816 31.131 1.00 20.00 H new ATOM 0 HE22 GLN A 53 10.540 34.187 30.858 1.00 20.00 H new ATOM 241 N CYS A 54 15.552 31.066 25.770 1.00 20.00 N ATOM 242 CA CYS A 54 16.764 31.369 25.024 1.00 20.00 C ATOM 243 C CYS A 54 16.589 30.986 23.550 1.00 20.00 C ATOM 244 O CYS A 54 15.579 30.404 23.155 1.00 20.00 O ATOM 245 CB CYS A 54 17.941 30.608 25.659 1.00 20.00 C ATOM 246 SG CYS A 54 19.585 31.230 25.246 1.00 20.00 S ATOM 0 H CYS A 54 14.954 30.392 25.291 1.00 20.00 H new ATOM 0 HA CYS A 54 16.969 32.439 25.065 1.00 20.00 H new ATOM 0 HB2 CYS A 54 17.824 30.633 26.742 1.00 20.00 H new ATOM 0 HB3 CYS A 54 17.881 29.563 25.356 1.00 20.00 H new ATOM 251 N LYS A 55 17.610 31.288 22.740 1.00 20.00 N ATOM 252 CA LYS A 55 17.711 30.906 21.334 1.00 20.00 C ATOM 253 C LYS A 55 17.747 29.377 21.185 1.00 20.00 C ATOM 254 O LYS A 55 18.067 28.655 22.132 1.00 20.00 O ATOM 255 CB LYS A 55 18.982 31.568 20.757 1.00 20.00 C ATOM 256 CG LYS A 55 19.084 31.612 19.221 1.00 20.00 C ATOM 257 CD LYS A 55 18.029 32.470 18.494 1.00 20.00 C ATOM 258 CE LYS A 55 18.299 33.976 18.577 1.00 20.00 C ATOM 259 NZ LYS A 55 17.825 34.584 19.836 1.00 20.00 N ATOM 0 H LYS A 55 18.416 31.825 23.061 1.00 20.00 H new ATOM 0 HA LYS A 55 16.837 31.249 20.780 1.00 20.00 H new ATOM 0 HB2 LYS A 55 19.039 32.589 21.134 1.00 20.00 H new ATOM 0 HB3 LYS A 55 19.852 31.037 21.144 1.00 20.00 H new ATOM 0 HG2 LYS A 55 20.073 31.985 18.954 1.00 20.00 H new ATOM 0 HG3 LYS A 55 19.015 30.592 18.844 1.00 20.00 H new ATOM 0 HD2 LYS A 55 17.991 32.173 17.446 1.00 20.00 H new ATOM 0 HD3 LYS A 55 17.047 32.261 18.920 1.00 20.00 H new ATOM 0 HE2 LYS A 55 19.370 34.152 18.477 1.00 20.00 H new ATOM 0 HE3 LYS A 55 17.814 34.472 17.736 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 17.479 35.547 19.648 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 17.053 34.009 20.230 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 18.609 34.625 20.518 1.00 20.00 H new ATOM 273 N GLU A 56 17.445 28.893 19.977 1.00 20.00 N ATOM 274 CA GLU A 56 17.583 27.501 19.562 1.00 20.00 C ATOM 275 C GLU A 56 18.151 27.468 18.143 1.00 20.00 C ATOM 276 O GLU A 56 17.474 27.844 17.185 1.00 20.00 O ATOM 277 CB GLU A 56 16.234 26.779 19.673 1.00 20.00 C ATOM 278 CG GLU A 56 16.306 25.335 19.148 1.00 20.00 C ATOM 279 CD GLU A 56 14.976 24.607 19.313 1.00 20.00 C ATOM 280 OE1 GLU A 56 14.073 24.881 18.490 1.00 20.00 O ATOM 281 OE2 GLU A 56 14.866 23.784 20.245 1.00 20.00 O ATOM 0 H GLU A 56 17.083 29.489 19.233 1.00 20.00 H new ATOM 0 HA GLU A 56 18.274 26.971 20.218 1.00 20.00 H new ATOM 0 HB2 GLU A 56 15.913 26.770 20.715 1.00 20.00 H new ATOM 0 HB3 GLU A 56 15.480 27.331 19.112 1.00 20.00 H new ATOM 0 HG2 GLU A 56 16.587 25.344 18.095 1.00 20.00 H new ATOM 0 HG3 GLU A 56 17.086 24.792 19.682 1.00 20.00 H new ATOM 288 N LEU A 57 19.401 26.998 18.031 1.00 20.00 N ATOM 289 CA LEU A 57 20.097 26.684 16.782 1.00 20.00 C ATOM 290 C LEU A 57 19.483 25.413 16.153 1.00 20.00 C ATOM 291 O LEU A 57 18.632 24.757 16.763 1.00 20.00 O ATOM 292 CB LEU A 57 21.604 26.487 17.082 1.00 20.00 C ATOM 293 CG LEU A 57 22.431 27.767 17.359 1.00 20.00 C ATOM 294 CD1 LEU A 57 22.611 28.636 16.108 1.00 20.00 C ATOM 295 CD2 LEU A 57 21.912 28.653 18.508 1.00 20.00 C ATOM 0 H LEU A 57 19.980 26.819 18.851 1.00 20.00 H new ATOM 0 HA LEU A 57 19.986 27.502 16.070 1.00 20.00 H new ATOM 0 HB2 LEU A 57 21.696 25.829 17.946 1.00 20.00 H new ATOM 0 HB3 LEU A 57 22.054 25.967 16.236 1.00 20.00 H new ATOM 0 HG LEU A 57 23.393 27.365 17.677 1.00 20.00 H new ATOM 0 HD11 LEU A 57 23.198 29.519 16.360 1.00 20.00 H new ATOM 0 HD12 LEU A 57 23.129 28.063 15.339 1.00 20.00 H new ATOM 0 HD13 LEU A 57 21.634 28.944 15.735 1.00 20.00 H new ATOM 0 HD21 LEU A 57 22.561 29.522 18.619 1.00 20.00 H new ATOM 0 HD22 LEU A 57 20.898 28.984 18.283 1.00 20.00 H new ATOM 0 HD23 LEU A 57 21.909 28.081 19.436 1.00 20.00 H new ATOM 307 N GLN A 58 19.925 25.037 14.942 1.00 20.00 N ATOM 308 CA GLN A 58 19.384 23.889 14.202 1.00 20.00 C ATOM 309 C GLN A 58 20.409 22.776 13.949 1.00 20.00 C ATOM 310 O GLN A 58 20.016 21.615 13.819 1.00 20.00 O ATOM 311 CB GLN A 58 18.721 24.374 12.905 1.00 20.00 C ATOM 312 CG GLN A 58 19.707 24.846 11.822 1.00 20.00 C ATOM 313 CD GLN A 58 18.987 25.490 10.633 1.00 20.00 C ATOM 314 OE1 GLN A 58 17.969 24.995 10.154 1.00 20.00 O ATOM 315 NE2 GLN A 58 19.517 26.607 10.134 1.00 20.00 N ATOM 0 H GLN A 58 20.672 25.525 14.447 1.00 20.00 H new ATOM 0 HA GLN A 58 18.628 23.424 14.835 1.00 20.00 H new ATOM 0 HB2 GLN A 58 18.114 23.566 12.498 1.00 20.00 H new ATOM 0 HB3 GLN A 58 18.043 25.193 13.143 1.00 20.00 H new ATOM 0 HG2 GLN A 58 20.405 25.563 12.255 1.00 20.00 H new ATOM 0 HG3 GLN A 58 20.296 23.998 11.473 1.00 20.00 H new ATOM 0 HE21 GLN A 58 20.363 27.000 10.548 1.00 20.00 H new ATOM 0 HE22 GLN A 58 19.077 27.069 9.338 1.00 20.00 H new ATOM 324 N ALA A 59 21.702 23.121 13.925 1.00 20.00 N ATOM 325 CA ALA A 59 22.810 22.196 13.696 1.00 20.00 C ATOM 326 C ALA A 59 23.796 22.148 14.871 1.00 20.00 C ATOM 327 O ALA A 59 24.501 21.150 15.022 1.00 20.00 O ATOM 328 CB ALA A 59 23.512 22.589 12.388 1.00 20.00 C ATOM 0 H ALA A 59 22.012 24.082 14.069 1.00 20.00 H new ATOM 0 HA ALA A 59 22.408 21.186 13.613 1.00 20.00 H new ATOM 0 HB1 ALA A 59 24.342 21.908 12.202 1.00 20.00 H new ATOM 0 HB2 ALA A 59 22.803 22.530 11.563 1.00 20.00 H new ATOM 0 HB3 ALA A 59 23.890 23.608 12.470 1.00 20.00 H new ATOM 334 N GLU A 60 23.809 23.177 15.733 1.00 20.00 N ATOM 335 CA GLU A 60 24.557 23.185 16.989 1.00 20.00 C ATOM 336 C GLU A 60 23.699 22.665 18.155 1.00 20.00 C ATOM 337 O GLU A 60 24.257 22.201 19.152 1.00 20.00 O ATOM 338 CB GLU A 60 25.055 24.613 17.273 1.00 20.00 C ATOM 339 CG GLU A 60 26.081 25.152 16.254 1.00 20.00 C ATOM 340 CD GLU A 60 27.477 24.537 16.412 1.00 20.00 C ATOM 341 OE1 GLU A 60 28.403 25.298 16.774 1.00 20.00 O ATOM 342 OE2 GLU A 60 27.624 23.319 16.166 1.00 20.00 O ATOM 0 H GLU A 60 23.289 24.039 15.569 1.00 20.00 H new ATOM 0 HA GLU A 60 25.412 22.515 16.893 1.00 20.00 H new ATOM 0 HB2 GLU A 60 24.197 25.285 17.294 1.00 20.00 H new ATOM 0 HB3 GLU A 60 25.503 24.636 18.266 1.00 20.00 H new ATOM 0 HG2 GLU A 60 25.718 24.956 15.245 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.155 26.234 16.361 1.00 20.00 H new ATOM 349 N SER A 61 22.361 22.684 18.015 1.00 20.00 N ATOM 350 CA SER A 61 21.444 21.979 18.911 1.00 20.00 C ATOM 351 C SER A 61 21.417 20.469 18.621 1.00 20.00 C ATOM 352 O SER A 61 21.120 19.686 19.524 1.00 20.00 O ATOM 353 CB SER A 61 20.035 22.557 18.752 1.00 20.00 C ATOM 354 OG SER A 61 20.002 23.911 19.163 1.00 20.00 O ATOM 0 H SER A 61 21.888 23.195 17.269 1.00 20.00 H new ATOM 0 HA SER A 61 21.795 22.118 19.933 1.00 20.00 H new ATOM 0 HB2 SER A 61 19.720 22.480 17.711 1.00 20.00 H new ATOM 0 HB3 SER A 61 19.328 21.975 19.343 1.00 20.00 H new ATOM 0 HG SER A 61 19.489 24.437 18.515 1.00 20.00 H new ATOM 360 N ALA A 62 21.760 20.053 17.390 1.00 20.00 N ATOM 361 CA ALA A 62 21.920 18.645 17.020 1.00 20.00 C ATOM 362 C ALA A 62 23.178 18.029 17.655 1.00 20.00 C ATOM 363 O ALA A 62 23.209 16.821 17.898 1.00 20.00 O ATOM 364 CB ALA A 62 21.981 18.526 15.492 1.00 20.00 C ATOM 0 H ALA A 62 21.935 20.696 16.618 1.00 20.00 H new ATOM 0 HA ALA A 62 21.061 18.091 17.399 1.00 20.00 H new ATOM 0 HB1 ALA A 62 22.100 17.479 15.213 1.00 20.00 H new ATOM 0 HB2 ALA A 62 21.059 18.914 15.060 1.00 20.00 H new ATOM 0 HB3 ALA A 62 22.828 19.100 15.116 1.00 20.00 H new ATOM 370 N SER A 63 24.191 18.861 17.956 1.00 20.00 N ATOM 371 CA SER A 63 25.398 18.476 18.682 1.00 20.00 C ATOM 372 C SER A 63 25.098 18.148 20.151 1.00 20.00 C ATOM 373 O SER A 63 25.757 17.284 20.728 1.00 20.00 O ATOM 374 CB SER A 63 26.405 19.629 18.583 1.00 20.00 C ATOM 375 OG SER A 63 27.689 19.220 18.996 1.00 20.00 O ATOM 0 H SER A 63 24.185 19.846 17.690 1.00 20.00 H new ATOM 0 HA SER A 63 25.811 17.571 18.236 1.00 20.00 H new ATOM 0 HB2 SER A 63 26.448 19.990 17.556 1.00 20.00 H new ATOM 0 HB3 SER A 63 26.070 20.462 19.200 1.00 20.00 H new ATOM 0 HG SER A 63 28.312 19.973 18.922 1.00 20.00 H new ATOM 381 N CYS A 64 24.083 18.799 20.737 1.00 20.00 N ATOM 382 CA CYS A 64 23.554 18.503 22.067 1.00 20.00 C ATOM 383 C CYS A 64 22.673 17.242 22.112 1.00 20.00 C ATOM 384 O CYS A 64 22.331 16.780 23.201 1.00 20.00 O ATOM 385 CB CYS A 64 22.746 19.710 22.546 1.00 20.00 C ATOM 386 SG CYS A 64 23.726 21.196 22.878 1.00 20.00 S ATOM 0 H CYS A 64 23.595 19.570 20.280 1.00 20.00 H new ATOM 0 HA CYS A 64 24.404 18.305 22.720 1.00 20.00 H new ATOM 0 HB2 CYS A 64 21.994 19.948 21.793 1.00 20.00 H new ATOM 0 HB3 CYS A 64 22.211 19.434 23.455 1.00 20.00 H new ATOM 391 N GLY A 65 22.323 16.681 20.948 1.00 20.00 N ATOM 392 CA GLY A 65 21.535 15.466 20.796 1.00 20.00 C ATOM 393 C GLY A 65 20.065 15.810 20.595 1.00 20.00 C ATOM 394 O GLY A 65 19.699 16.407 19.580 1.00 20.00 O ATOM 0 H GLY A 65 22.596 17.084 20.052 1.00 20.00 H new ATOM 0 HA2 GLY A 65 21.901 14.892 19.945 1.00 20.00 H new ATOM 0 HA3 GLY A 65 21.651 14.837 21.678 1.00 20.00 H new ATOM 398 N LYS A 66 19.245 15.425 21.577 1.00 20.00 N ATOM 399 CA LYS A 66 17.814 15.679 21.664 1.00 20.00 C ATOM 400 C LYS A 66 17.411 16.085 23.090 1.00 20.00 C ATOM 401 O LYS A 66 18.070 15.702 24.059 1.00 20.00 O ATOM 402 CB LYS A 66 17.045 14.437 21.175 1.00 20.00 C ATOM 403 CG LYS A 66 17.263 13.167 22.016 1.00 20.00 C ATOM 404 CD LYS A 66 16.528 11.979 21.390 1.00 20.00 C ATOM 405 CE LYS A 66 16.784 10.698 22.194 1.00 20.00 C ATOM 406 NZ LYS A 66 16.104 9.539 21.584 1.00 20.00 N ATOM 0 H LYS A 66 19.589 14.896 22.378 1.00 20.00 H new ATOM 0 HA LYS A 66 17.555 16.518 21.019 1.00 20.00 H new ATOM 0 HB2 LYS A 66 15.980 14.669 21.163 1.00 20.00 H new ATOM 0 HB3 LYS A 66 17.338 14.228 20.146 1.00 20.00 H new ATOM 0 HG2 LYS A 66 18.328 12.948 22.086 1.00 20.00 H new ATOM 0 HG3 LYS A 66 16.904 13.330 23.032 1.00 20.00 H new ATOM 0 HD2 LYS A 66 15.458 12.184 21.355 1.00 20.00 H new ATOM 0 HD3 LYS A 66 16.860 11.841 20.361 1.00 20.00 H new ATOM 0 HE2 LYS A 66 17.856 10.507 22.247 1.00 20.00 H new ATOM 0 HE3 LYS A 66 16.433 10.832 23.217 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 16.295 8.687 22.149 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 15.079 9.713 21.556 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 16.458 9.399 20.616 1.00 20.00 H new ATOM 420 N GLY A 67 16.321 16.856 23.213 1.00 20.00 N ATOM 421 CA GLY A 67 15.817 17.374 24.483 1.00 20.00 C ATOM 422 C GLY A 67 16.577 18.595 25.023 1.00 20.00 C ATOM 423 O GLY A 67 16.171 19.136 26.051 1.00 20.00 O ATOM 0 H GLY A 67 15.757 17.140 22.412 1.00 20.00 H new ATOM 0 HA2 GLY A 67 14.767 17.641 24.360 1.00 20.00 H new ATOM 0 HA3 GLY A 67 15.859 16.578 25.227 1.00 20.00 H new ATOM 427 N GLN A 68 17.651 19.031 24.349 1.00 20.00 N ATOM 428 CA GLN A 68 18.438 20.220 24.672 1.00 20.00 C ATOM 429 C GLN A 68 18.692 21.050 23.403 1.00 20.00 C ATOM 430 O GLN A 68 18.398 20.610 22.288 1.00 20.00 O ATOM 431 CB GLN A 68 19.784 19.837 25.329 1.00 20.00 C ATOM 432 CG GLN A 68 19.702 19.073 26.662 1.00 20.00 C ATOM 433 CD GLN A 68 19.460 17.568 26.501 1.00 20.00 C ATOM 434 OE1 GLN A 68 18.465 17.041 26.990 1.00 20.00 O ATOM 435 NE2 GLN A 68 20.372 16.860 25.833 1.00 20.00 N ATOM 0 H GLN A 68 18.007 18.540 23.529 1.00 20.00 H new ATOM 0 HA GLN A 68 17.868 20.817 25.384 1.00 20.00 H new ATOM 0 HB2 GLN A 68 20.349 19.230 24.622 1.00 20.00 H new ATOM 0 HB3 GLN A 68 20.356 20.750 25.493 1.00 20.00 H new ATOM 0 HG2 GLN A 68 20.629 19.225 27.214 1.00 20.00 H new ATOM 0 HG3 GLN A 68 18.899 19.498 27.264 1.00 20.00 H new ATOM 0 HE21 GLN A 68 21.189 17.325 25.437 1.00 20.00 H new ATOM 0 HE22 GLN A 68 20.252 15.854 25.718 1.00 20.00 H new ATOM 444 N LYS A 69 19.260 22.251 23.582 1.00 20.00 N ATOM 445 CA LYS A 69 19.656 23.167 22.513 1.00 20.00 C ATOM 446 C LYS A 69 20.900 23.971 22.902 1.00 20.00 C ATOM 447 O LYS A 69 21.250 24.042 24.082 1.00 20.00 O ATOM 448 CB LYS A 69 18.471 24.083 22.126 1.00 20.00 C ATOM 449 CG LYS A 69 17.632 24.702 23.258 1.00 20.00 C ATOM 450 CD LYS A 69 18.330 25.756 24.120 1.00 20.00 C ATOM 451 CE LYS A 69 17.326 26.350 25.112 1.00 20.00 C ATOM 452 NZ LYS A 69 16.399 27.318 24.491 1.00 20.00 N ATOM 0 H LYS A 69 19.462 22.621 24.511 1.00 20.00 H new ATOM 0 HA LYS A 69 19.924 22.580 21.634 1.00 20.00 H new ATOM 0 HB2 LYS A 69 18.865 24.898 21.519 1.00 20.00 H new ATOM 0 HB3 LYS A 69 17.799 23.507 21.490 1.00 20.00 H new ATOM 0 HG2 LYS A 69 16.743 25.154 22.817 1.00 20.00 H new ATOM 0 HG3 LYS A 69 17.291 23.898 23.910 1.00 20.00 H new ATOM 0 HD2 LYS A 69 19.166 25.307 24.657 1.00 20.00 H new ATOM 0 HD3 LYS A 69 18.743 26.543 23.488 1.00 20.00 H new ATOM 0 HE2 LYS A 69 16.749 25.542 25.563 1.00 20.00 H new ATOM 0 HE3 LYS A 69 17.869 26.843 25.918 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 15.960 27.902 25.231 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 16.924 27.929 23.833 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 15.659 26.805 23.971 1.00 20.00 H new ATOM 466 N CYS A 70 21.536 24.609 21.908 1.00 20.00 N ATOM 467 CA CYS A 70 22.524 25.644 22.180 1.00 20.00 C ATOM 468 C CYS A 70 21.786 26.936 22.548 1.00 20.00 C ATOM 469 O CYS A 70 20.828 27.320 21.875 1.00 20.00 O ATOM 470 CB CYS A 70 23.451 25.887 20.984 1.00 20.00 C ATOM 471 SG CYS A 70 24.726 27.121 21.391 1.00 20.00 S ATOM 0 H CYS A 70 21.380 24.423 20.917 1.00 20.00 H new ATOM 0 HA CYS A 70 23.154 25.314 23.006 1.00 20.00 H new ATOM 0 HB2 CYS A 70 23.926 24.951 20.691 1.00 20.00 H new ATOM 0 HB3 CYS A 70 22.867 26.230 20.130 1.00 20.00 H new ATOM 476 N CYS A 71 22.262 27.607 23.604 1.00 20.00 N ATOM 477 CA CYS A 71 21.742 28.876 24.103 1.00 20.00 C ATOM 478 C CYS A 71 22.851 29.934 24.064 1.00 20.00 C ATOM 479 O CYS A 71 23.971 29.692 24.519 1.00 20.00 O ATOM 480 CB CYS A 71 21.210 28.665 25.527 1.00 20.00 C ATOM 481 SG CYS A 71 20.812 30.167 26.463 1.00 20.00 S ATOM 0 H CYS A 71 23.051 27.263 24.152 1.00 20.00 H new ATOM 0 HA CYS A 71 20.923 29.230 23.477 1.00 20.00 H new ATOM 0 HB2 CYS A 71 20.313 28.049 25.470 1.00 20.00 H new ATOM 0 HB3 CYS A 71 21.951 28.097 26.089 1.00 20.00 H new ATOM 486 N VAL A 72 22.510 31.112 23.523 1.00 20.00 N ATOM 487 CA VAL A 72 23.384 32.286 23.445 1.00 20.00 C ATOM 488 C VAL A 72 23.712 32.819 24.844 1.00 20.00 C ATOM 489 O VAL A 72 22.880 32.819 25.754 1.00 20.00 O ATOM 490 CB VAL A 72 22.762 33.403 22.568 1.00 20.00 C ATOM 491 CG1 VAL A 72 22.687 32.957 21.097 1.00 20.00 C ATOM 492 CG2 VAL A 72 21.361 33.859 23.031 1.00 20.00 C ATOM 0 H VAL A 72 21.590 31.277 23.116 1.00 20.00 H new ATOM 0 HA VAL A 72 24.313 31.969 22.970 1.00 20.00 H new ATOM 0 HB VAL A 72 23.427 34.260 22.676 1.00 20.00 H new ATOM 0 HG11 VAL A 72 22.248 33.754 20.497 1.00 20.00 H new ATOM 0 HG12 VAL A 72 23.690 32.739 20.731 1.00 20.00 H new ATOM 0 HG13 VAL A 72 22.070 32.062 21.019 1.00 20.00 H new ATOM 0 HG21 VAL A 72 20.995 34.642 22.366 1.00 20.00 H new ATOM 0 HG22 VAL A 72 20.676 33.012 23.006 1.00 20.00 H new ATOM 0 HG23 VAL A 72 21.422 34.246 24.048 1.00 20.00 H new ATOM 502 N TRP A 73 24.947 33.315 24.984 1.00 20.00 N ATOM 503 CA TRP A 73 25.431 34.042 26.157 1.00 20.00 C ATOM 504 C TRP A 73 24.963 35.508 26.177 1.00 20.00 C ATOM 505 O TRP A 73 25.012 36.146 27.229 1.00 20.00 O ATOM 506 CB TRP A 73 26.962 33.955 26.201 1.00 20.00 C ATOM 507 CG TRP A 73 27.676 34.219 24.909 1.00 20.00 C ATOM 508 CD1 TRP A 73 27.774 35.431 24.291 1.00 20.00 C ATOM 509 CD2 TRP A 73 28.338 33.291 24.023 1.00 20.00 C ATOM 510 NE1 TRP A 73 28.475 35.300 23.120 1.00 20.00 N ATOM 511 CE2 TRP A 73 28.866 33.981 22.888 1.00 20.00 C ATOM 512 CE3 TRP A 73 28.543 31.877 24.034 1.00 20.00 C ATOM 513 CZ2 TRP A 73 29.534 33.352 21.855 1.00 20.00 C ATOM 514 CZ3 TRP A 73 29.231 31.231 23.008 1.00 20.00 C ATOM 515 CH2 TRP A 73 29.726 31.949 21.904 1.00 20.00 C ATOM 0 H TRP A 73 25.658 33.217 24.259 1.00 20.00 H new ATOM 0 HA TRP A 73 25.007 33.576 27.046 1.00 20.00 H new ATOM 0 HB2 TRP A 73 27.325 34.665 26.944 1.00 20.00 H new ATOM 0 HB3 TRP A 73 27.239 32.960 26.549 1.00 20.00 H new ATOM 0 HD1 TRP A 73 27.361 36.355 24.668 1.00 20.00 H new ATOM 0 HE1 TRP A 73 28.686 36.076 22.492 1.00 20.00 H new ATOM 0 HE3 TRP A 73 28.156 31.295 24.857 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 29.906 33.924 21.018 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 29.386 30.164 23.061 1.00 20.00 H new ATOM 0 HH2 TRP A 73 30.245 31.438 21.106 1.00 20.00 H new ATOM 526 N LEU A 74 24.501 36.040 25.031 1.00 20.00 N ATOM 527 CA LEU A 74 23.923 37.379 24.919 1.00 20.00 C ATOM 528 C LEU A 74 22.506 37.415 25.515 1.00 20.00 C ATOM 529 O LEU A 74 21.816 36.396 25.588 1.00 20.00 O ATOM 530 CB LEU A 74 23.877 37.816 23.442 1.00 20.00 C ATOM 531 CG LEU A 74 25.249 37.924 22.743 1.00 20.00 C ATOM 532 CD1 LEU A 74 25.029 38.347 21.284 1.00 20.00 C ATOM 533 CD2 LEU A 74 26.183 38.945 23.413 1.00 20.00 C ATOM 0 H LEU A 74 24.522 35.537 24.144 1.00 20.00 H new ATOM 0 HA LEU A 74 24.554 38.069 25.480 1.00 20.00 H new ATOM 0 HB2 LEU A 74 23.261 37.107 22.889 1.00 20.00 H new ATOM 0 HB3 LEU A 74 23.380 38.784 23.382 1.00 20.00 H new ATOM 0 HG LEU A 74 25.726 36.947 22.813 1.00 20.00 H new ATOM 0 HD11 LEU A 74 25.992 38.427 20.779 1.00 20.00 H new ATOM 0 HD12 LEU A 74 24.415 37.602 20.778 1.00 20.00 H new ATOM 0 HD13 LEU A 74 24.524 39.313 21.257 1.00 20.00 H new ATOM 0 HD21 LEU A 74 27.132 38.976 22.877 1.00 20.00 H new ATOM 0 HD22 LEU A 74 25.720 39.932 23.390 1.00 20.00 H new ATOM 0 HD23 LEU A 74 26.360 38.652 24.448 1.00 20.00 H new ATOM 545 N HIS A 75 22.065 38.620 25.902 1.00 20.00 N ATOM 546 CA HIS A 75 20.724 38.900 26.416 1.00 20.00 C ATOM 547 C HIS A 75 19.675 38.781 25.304 1.00 20.00 C ATOM 548 O HIS A 75 18.694 38.069 25.505 1.00 20.00 O ATOM 549 CB HIS A 75 20.687 40.296 27.063 1.00 20.00 C ATOM 550 CG HIS A 75 21.518 40.405 28.315 1.00 20.00 C ATOM 551 ND1 HIS A 75 22.897 40.537 28.381 1.00 20.00 N ATOM 552 CD2 HIS A 75 21.052 40.391 29.593 1.00 20.00 C ATOM 553 CE1 HIS A 75 23.251 40.596 29.656 1.00 20.00 C ATOM 554 NE2 HIS A 75 22.135 40.511 30.443 1.00 20.00 N ATOM 555 OXT HIS A 75 19.887 39.439 24.235 1.00 20.00 O ATOM 0 H HIS A 75 22.654 39.452 25.863 1.00 20.00 H new ATOM 0 HA HIS A 75 20.482 38.159 27.178 1.00 20.00 H new ATOM 0 HB2 HIS A 75 21.038 41.032 26.339 1.00 20.00 H new ATOM 0 HB3 HIS A 75 19.654 40.550 27.300 1.00 20.00 H new ATOM 0 HD2 HIS A 75 20.018 40.302 29.891 1.00 20.00 H new ATOM 0 HE1 HIS A 75 24.264 40.696 30.018 1.00 20.00 H new ATOM 0 HE2 HIS A 75 22.108 40.532 31.462 1.00 20.00 H new TER 564 HIS A 75