USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 495 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 246 GLN : amide:sc= -5.63! C(o=-11!,f=-9.7!) USER MOD Set 1.2: A 249 ASN : amide:sc= -5.81! C(o=-11!,f=-9.7!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -103:sc= -1.85! (180deg=-5.06!) USER MOD Single : A 212 LYS NZ :NH3+ 158:sc= -0.0895 (180deg=-0.557) USER MOD Single : A 215 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0866) USER MOD Single : A 216 MET CE :methyl 173:sc= -0.106 (180deg=-0.153) USER MOD Single : A 217 SER OG : rot 171:sc= -0.16 USER MOD Single : A 218 LYS NZ :NH3+ 150:sc= -0.284 (180deg=-1.38!) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 LYS NZ :NH3+ -163:sc= -0.0263 (180deg=-0.32) USER MOD Single : A 228 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 231 SER OG : rot 180:sc= 0 USER MOD Single : A 235 LYS NZ :NH3+ 164:sc= -0.0534 (180deg=-0.419) USER MOD Single : A 236 SER OG : rot -103:sc= 0.751 USER MOD Single : A 237 LYS NZ :NH3+ 149:sc= -0.384 (180deg=-1.44!) USER MOD Single : A 240 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.24) USER MOD Single : A 242 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-0.82) USER MOD Single : A 243 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 247 SER OG : rot -12:sc= 1.02 USER MOD Single : A 250 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= -1.32! K(o=-1.3!,f=-0.0095) USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -1.37! C(o=-1.4!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 22.339 -39.730 -0.145 1.00 0.00 N ATOM 2 CA GLY A -4 22.331 -38.240 -0.193 1.00 0.00 C ATOM 3 C GLY A -4 22.551 -37.779 -1.632 1.00 0.00 C ATOM 4 O GLY A -4 23.480 -37.024 -1.918 1.00 0.00 O ATOM 0 H1 GLY A -4 21.363 -40.080 -0.064 1.00 0.00 H new ATOM 0 H2 GLY A -4 22.769 -40.103 -1.015 1.00 0.00 H new ATOM 0 H3 GLY A -4 22.890 -40.048 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A -4 21.382 -37.858 0.182 1.00 0.00 H new ATOM 0 HA3 GLY A -4 23.113 -37.840 0.453 1.00 0.00 H new ATOM 10 N PRO A -3 21.720 -38.228 -2.537 1.00 0.00 N ATOM 11 CA PRO A -3 21.822 -37.858 -3.980 1.00 0.00 C ATOM 12 C PRO A -3 21.588 -36.369 -4.206 1.00 0.00 C ATOM 13 O PRO A -3 20.801 -35.741 -3.498 1.00 0.00 O ATOM 14 CB PRO A -3 20.735 -38.710 -4.671 1.00 0.00 C ATOM 15 CG PRO A -3 19.782 -39.103 -3.581 1.00 0.00 C ATOM 16 CD PRO A -3 20.584 -39.128 -2.278 1.00 0.00 C ATOM 0 HA PRO A -3 22.818 -38.049 -4.379 1.00 0.00 H new ATOM 0 HB2 PRO A -3 20.227 -38.142 -5.450 1.00 0.00 H new ATOM 0 HB3 PRO A -3 21.169 -39.588 -5.148 1.00 0.00 H new ATOM 0 HG2 PRO A -3 18.958 -38.393 -3.514 1.00 0.00 H new ATOM 0 HG3 PRO A -3 19.345 -40.080 -3.784 1.00 0.00 H new ATOM 0 HD2 PRO A -3 19.986 -38.782 -1.435 1.00 0.00 H new ATOM 0 HD3 PRO A -3 20.921 -40.136 -2.037 1.00 0.00 H new ATOM 24 N LEU A -2 22.270 -35.816 -5.200 1.00 0.00 N ATOM 25 CA LEU A -2 22.127 -34.399 -5.520 1.00 0.00 C ATOM 26 C LEU A -2 22.054 -33.565 -4.244 1.00 0.00 C ATOM 27 O LEU A -2 20.968 -33.254 -3.755 1.00 0.00 O ATOM 28 CB LEU A -2 20.854 -34.181 -6.353 1.00 0.00 C ATOM 29 CG LEU A -2 21.122 -34.555 -7.813 1.00 0.00 C ATOM 30 CD1 LEU A -2 21.519 -36.031 -7.898 1.00 0.00 C ATOM 31 CD2 LEU A -2 19.857 -34.317 -8.639 1.00 0.00 C ATOM 0 H LEU A -2 22.925 -36.322 -5.797 1.00 0.00 H new ATOM 0 HA LEU A -2 22.998 -34.083 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A -2 20.040 -34.787 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A -2 20.538 -33.140 -6.286 1.00 0.00 H new ATOM 0 HG LEU A -2 21.932 -33.939 -8.204 1.00 0.00 H new ATOM 0 HD11 LEU A -2 21.710 -36.297 -8.938 1.00 0.00 H new ATOM 0 HD12 LEU A -2 22.420 -36.200 -7.309 1.00 0.00 H new ATOM 0 HD13 LEU A -2 20.710 -36.648 -7.508 1.00 0.00 H new ATOM 0 HD21 LEU A -2 20.046 -34.583 -9.679 1.00 0.00 H new ATOM 0 HD22 LEU A -2 19.046 -34.933 -8.249 1.00 0.00 H new ATOM 0 HD23 LEU A -2 19.576 -33.266 -8.579 1.00 0.00 H new ATOM 43 N GLY A -1 23.215 -33.214 -3.713 1.00 0.00 N ATOM 44 CA GLY A -1 23.275 -32.420 -2.495 1.00 0.00 C ATOM 45 C GLY A -1 22.714 -31.022 -2.731 1.00 0.00 C ATOM 46 O GLY A -1 22.265 -30.357 -1.797 1.00 0.00 O ATOM 0 H GLY A -1 24.124 -33.464 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A -1 22.710 -32.915 -1.705 1.00 0.00 H new ATOM 0 HA3 GLY A -1 24.307 -32.349 -2.152 1.00 0.00 H new ATOM 50 N SER A 0 22.749 -30.580 -3.984 1.00 0.00 N ATOM 51 CA SER A 0 22.248 -29.254 -4.328 1.00 0.00 C ATOM 52 C SER A 0 20.782 -29.117 -3.930 1.00 0.00 C ATOM 53 O SER A 0 20.368 -28.087 -3.397 1.00 0.00 O ATOM 54 CB SER A 0 22.391 -29.016 -5.831 1.00 0.00 C ATOM 55 OG SER A 0 23.760 -29.128 -6.197 1.00 0.00 O ATOM 0 H SER A 0 23.115 -31.115 -4.772 1.00 0.00 H new ATOM 0 HA SER A 0 22.834 -28.513 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 0 21.794 -29.742 -6.384 1.00 0.00 H new ATOM 0 HB3 SER A 0 22.013 -28.028 -6.092 1.00 0.00 H new ATOM 0 HG SER A 0 23.854 -28.978 -7.161 1.00 0.00 H new ATOM 61 N ILE A 211 20.001 -30.157 -4.194 1.00 0.00 N ATOM 62 CA ILE A 211 18.582 -30.138 -3.861 1.00 0.00 C ATOM 63 C ILE A 211 18.389 -30.040 -2.349 1.00 0.00 C ATOM 64 O ILE A 211 17.550 -29.277 -1.868 1.00 0.00 O ATOM 65 CB ILE A 211 17.905 -31.407 -4.386 1.00 0.00 C ATOM 66 CG1 ILE A 211 17.906 -31.386 -5.917 1.00 0.00 C ATOM 67 CG2 ILE A 211 16.459 -31.465 -3.881 1.00 0.00 C ATOM 68 CD1 ILE A 211 17.493 -32.761 -6.447 1.00 0.00 C ATOM 0 H ILE A 211 20.323 -31.019 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 211 18.128 -29.266 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 211 18.449 -32.282 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 211 17.218 -30.623 -6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 211 18.897 -31.125 -6.287 1.00 0.00 H new ATOM 0 HG21 ILE A 211 15.979 -32.369 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 211 16.454 -31.477 -2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 211 15.914 -30.591 -4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 211 17.494 -32.746 -7.537 1.00 0.00 H new ATOM 0 HD12 ILE A 211 18.198 -33.514 -6.094 1.00 0.00 H new ATOM 0 HD13 ILE A 211 16.493 -33.004 -6.088 1.00 0.00 H new ATOM 80 N LYS A 212 19.166 -30.820 -1.607 1.00 0.00 N ATOM 81 CA LYS A 212 19.068 -30.814 -0.153 1.00 0.00 C ATOM 82 C LYS A 212 19.459 -29.448 0.397 1.00 0.00 C ATOM 83 O LYS A 212 18.851 -28.952 1.346 1.00 0.00 O ATOM 84 CB LYS A 212 19.981 -31.889 0.439 1.00 0.00 C ATOM 85 CG LYS A 212 19.771 -31.961 1.952 1.00 0.00 C ATOM 86 CD LYS A 212 20.635 -33.080 2.534 1.00 0.00 C ATOM 87 CE LYS A 212 20.417 -33.161 4.046 1.00 0.00 C ATOM 88 NZ LYS A 212 18.997 -33.526 4.323 1.00 0.00 N ATOM 0 H LYS A 212 19.865 -31.460 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 212 18.036 -31.027 0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 212 19.764 -32.856 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 212 21.023 -31.659 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 212 20.033 -31.008 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 212 18.720 -32.145 2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 212 20.379 -34.031 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 212 21.687 -32.892 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 212 21.086 -33.903 4.482 1.00 0.00 H new ATOM 0 HE3 LYS A 212 20.655 -32.204 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 212 18.924 -33.940 5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 212 18.403 -32.674 4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 212 18.673 -34.219 3.619 1.00 0.00 H new ATOM 102 N GLU A 213 20.473 -28.843 -0.211 1.00 0.00 N ATOM 103 CA GLU A 213 20.940 -27.530 0.220 1.00 0.00 C ATOM 104 C GLU A 213 19.876 -26.475 -0.058 1.00 0.00 C ATOM 105 O GLU A 213 19.743 -25.500 0.683 1.00 0.00 O ATOM 106 CB GLU A 213 22.229 -27.165 -0.518 1.00 0.00 C ATOM 107 CG GLU A 213 22.754 -25.823 -0.001 1.00 0.00 C ATOM 108 CD GLU A 213 24.085 -25.492 -0.665 1.00 0.00 C ATOM 109 OE1 GLU A 213 24.681 -26.394 -1.232 1.00 0.00 O ATOM 110 OE2 GLU A 213 24.486 -24.342 -0.603 1.00 0.00 O ATOM 0 H GLU A 213 20.985 -29.238 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 213 21.136 -27.564 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 213 22.978 -27.942 -0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 213 22.042 -27.105 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 213 22.029 -25.036 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 213 22.879 -25.865 1.081 1.00 0.00 H new ATOM 117 N LEU A 214 19.128 -26.670 -1.136 1.00 0.00 N ATOM 118 CA LEU A 214 18.090 -25.726 -1.508 1.00 0.00 C ATOM 119 C LEU A 214 17.037 -25.619 -0.409 1.00 0.00 C ATOM 120 O LEU A 214 16.550 -24.531 -0.105 1.00 0.00 O ATOM 121 CB LEU A 214 17.425 -26.161 -2.821 1.00 0.00 C ATOM 122 CG LEU A 214 16.326 -25.159 -3.211 1.00 0.00 C ATOM 123 CD1 LEU A 214 16.937 -23.761 -3.403 1.00 0.00 C ATOM 124 CD2 LEU A 214 15.665 -25.615 -4.514 1.00 0.00 C ATOM 0 H LEU A 214 19.222 -27.469 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 214 18.552 -24.748 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 214 18.171 -26.222 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 214 16.997 -27.157 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 214 15.579 -25.115 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 214 16.153 -23.056 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 214 17.405 -23.438 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 214 17.687 -23.797 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 214 14.885 -24.907 -4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 214 16.414 -25.661 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 214 15.225 -26.602 -4.373 1.00 0.00 H new ATOM 136 N LYS A 215 16.671 -26.757 0.166 1.00 0.00 N ATOM 137 CA LYS A 215 15.659 -26.775 1.216 1.00 0.00 C ATOM 138 C LYS A 215 16.126 -25.957 2.410 1.00 0.00 C ATOM 139 O LYS A 215 15.343 -25.221 3.011 1.00 0.00 O ATOM 140 CB LYS A 215 15.393 -28.216 1.654 1.00 0.00 C ATOM 141 CG LYS A 215 14.938 -29.049 0.450 1.00 0.00 C ATOM 142 CD LYS A 215 13.568 -28.564 -0.044 1.00 0.00 C ATOM 143 CE LYS A 215 12.919 -29.646 -0.903 1.00 0.00 C ATOM 144 NZ LYS A 215 13.751 -29.879 -2.116 1.00 0.00 N ATOM 0 H LYS A 215 17.055 -27.671 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 215 14.740 -26.339 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 215 16.296 -28.647 2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 215 14.628 -28.235 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 215 15.671 -28.971 -0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 215 14.881 -30.101 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 215 12.927 -28.327 0.805 1.00 0.00 H new ATOM 0 HD3 LYS A 215 13.683 -27.647 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 215 12.822 -30.569 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 215 11.913 -29.342 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 13.212 -30.444 -2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 14.006 -28.966 -2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 14.617 -30.390 -1.850 1.00 0.00 H new ATOM 158 N MET A 216 17.404 -26.083 2.741 1.00 0.00 N ATOM 159 CA MET A 216 17.969 -25.342 3.862 1.00 0.00 C ATOM 160 C MET A 216 18.055 -23.854 3.537 1.00 0.00 C ATOM 161 O MET A 216 18.744 -23.098 4.222 1.00 0.00 O ATOM 162 CB MET A 216 19.365 -25.877 4.188 1.00 0.00 C ATOM 163 CG MET A 216 19.249 -27.289 4.762 1.00 0.00 C ATOM 164 SD MET A 216 20.901 -27.918 5.156 1.00 0.00 S ATOM 165 CE MET A 216 20.417 -29.629 5.492 1.00 0.00 C ATOM 0 H MET A 216 18.066 -26.687 2.253 1.00 0.00 H new ATOM 0 HA MET A 216 17.317 -25.474 4.725 1.00 0.00 H new ATOM 0 HB2 MET A 216 19.981 -25.888 3.289 1.00 0.00 H new ATOM 0 HB3 MET A 216 19.859 -25.221 4.905 1.00 0.00 H new ATOM 0 HG2 MET A 216 18.629 -27.279 5.658 1.00 0.00 H new ATOM 0 HG3 MET A 216 18.760 -27.946 4.043 1.00 0.00 H new ATOM 0 HE1 MET A 216 21.309 -30.237 5.639 1.00 0.00 H new ATOM 0 HE2 MET A 216 19.802 -29.663 6.392 1.00 0.00 H new ATOM 0 HE3 MET A 216 19.847 -30.018 4.648 1.00 0.00 H new ATOM 175 N SER A 217 17.351 -23.438 2.488 1.00 0.00 N ATOM 176 CA SER A 217 17.355 -22.038 2.083 1.00 0.00 C ATOM 177 C SER A 217 18.783 -21.510 2.003 1.00 0.00 C ATOM 178 O SER A 217 19.383 -21.156 3.017 1.00 0.00 O ATOM 179 CB SER A 217 16.557 -21.202 3.084 1.00 0.00 C ATOM 180 OG SER A 217 16.866 -19.828 2.899 1.00 0.00 O ATOM 0 H SER A 217 16.774 -24.047 1.907 1.00 0.00 H new ATOM 0 HA SER A 217 16.894 -21.962 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 217 15.489 -21.368 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 217 16.797 -21.507 4.103 1.00 0.00 H new ATOM 0 HG SER A 217 16.254 -19.280 3.434 1.00 0.00 H new ATOM 186 N LYS A 218 19.322 -21.462 0.790 1.00 0.00 N ATOM 187 CA LYS A 218 20.681 -20.977 0.588 1.00 0.00 C ATOM 188 C LYS A 218 20.797 -19.518 1.009 1.00 0.00 C ATOM 189 O LYS A 218 21.827 -19.094 1.525 1.00 0.00 O ATOM 190 CB LYS A 218 21.065 -21.112 -0.880 1.00 0.00 C ATOM 191 CG LYS A 218 22.538 -20.723 -1.060 1.00 0.00 C ATOM 192 CD LYS A 218 22.968 -20.965 -2.518 1.00 0.00 C ATOM 193 CE LYS A 218 22.559 -19.771 -3.384 1.00 0.00 C ATOM 194 NZ LYS A 218 23.215 -18.538 -2.862 1.00 0.00 N ATOM 0 H LYS A 218 18.842 -21.751 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 218 21.356 -21.576 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 218 20.904 -22.136 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 218 20.431 -20.472 -1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 218 22.681 -19.675 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 218 23.163 -21.308 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 218 24.047 -21.110 -2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 218 22.505 -21.876 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 218 22.851 -19.941 -4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 218 21.475 -19.653 -3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 23.382 -17.875 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 22.598 -18.090 -2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 24.123 -18.788 -2.421 1.00 0.00 H new ATOM 208 N ASP A 219 19.737 -18.755 0.780 1.00 0.00 N ATOM 209 CA ASP A 219 19.731 -17.342 1.136 1.00 0.00 C ATOM 210 C ASP A 219 19.862 -17.173 2.646 1.00 0.00 C ATOM 211 O ASP A 219 20.499 -16.234 3.123 1.00 0.00 O ATOM 212 CB ASP A 219 18.433 -16.689 0.658 1.00 0.00 C ATOM 213 CG ASP A 219 18.449 -16.546 -0.860 1.00 0.00 C ATOM 214 OD1 ASP A 219 19.513 -16.687 -1.439 1.00 0.00 O ATOM 215 OD2 ASP A 219 17.396 -16.296 -1.423 1.00 0.00 O ATOM 0 H ASP A 219 18.874 -19.088 0.351 1.00 0.00 H new ATOM 0 HA ASP A 219 20.579 -16.859 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 219 17.578 -17.292 0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 219 18.316 -15.710 1.122 1.00 0.00 H new ATOM 220 N GLU A 220 19.253 -18.088 3.392 1.00 0.00 N ATOM 221 CA GLU A 220 19.304 -18.030 4.848 1.00 0.00 C ATOM 222 C GLU A 220 20.743 -17.935 5.330 1.00 0.00 C ATOM 223 O GLU A 220 21.022 -17.362 6.382 1.00 0.00 O ATOM 224 CB GLU A 220 18.646 -19.277 5.444 1.00 0.00 C ATOM 225 CG GLU A 220 18.629 -19.168 6.970 1.00 0.00 C ATOM 226 CD GLU A 220 17.893 -20.359 7.568 1.00 0.00 C ATOM 227 OE1 GLU A 220 17.626 -21.296 6.834 1.00 0.00 O ATOM 228 OE2 GLU A 220 17.609 -20.319 8.754 1.00 0.00 O ATOM 0 H GLU A 220 18.722 -18.873 3.016 1.00 0.00 H new ATOM 0 HA GLU A 220 18.764 -17.142 5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 220 17.629 -19.380 5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 220 19.192 -20.170 5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 220 19.649 -19.131 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 220 18.142 -18.240 7.271 1.00 0.00 H new ATOM 235 N ILE A 221 21.661 -18.500 4.558 1.00 0.00 N ATOM 236 CA ILE A 221 23.063 -18.466 4.935 1.00 0.00 C ATOM 237 C ILE A 221 23.560 -17.017 4.965 1.00 0.00 C ATOM 238 O ILE A 221 24.358 -16.626 5.822 1.00 0.00 O ATOM 239 CB ILE A 221 23.895 -19.304 3.932 1.00 0.00 C ATOM 240 CG1 ILE A 221 25.098 -19.937 4.652 1.00 0.00 C ATOM 241 CG2 ILE A 221 24.402 -18.426 2.768 1.00 0.00 C ATOM 242 CD1 ILE A 221 25.917 -18.852 5.359 1.00 0.00 C ATOM 0 H ILE A 221 21.463 -18.980 3.680 1.00 0.00 H new ATOM 0 HA ILE A 221 23.180 -18.894 5.931 1.00 0.00 H new ATOM 0 HB ILE A 221 23.253 -20.086 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 221 24.752 -20.673 5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 221 25.724 -20.467 3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 221 24.983 -19.037 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 221 23.551 -17.993 2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 221 25.030 -17.627 3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 221 26.766 -19.310 5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 221 26.278 -18.132 4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 221 25.290 -18.342 6.090 1.00 0.00 H new ATOM 254 N LYS A 222 23.110 -16.230 3.999 1.00 0.00 N ATOM 255 CA LYS A 222 23.537 -14.850 3.910 1.00 0.00 C ATOM 256 C LYS A 222 23.098 -14.098 5.154 1.00 0.00 C ATOM 257 O LYS A 222 23.806 -13.226 5.652 1.00 0.00 O ATOM 258 CB LYS A 222 22.942 -14.190 2.665 1.00 0.00 C ATOM 259 CG LYS A 222 23.495 -12.765 2.506 1.00 0.00 C ATOM 260 CD LYS A 222 24.984 -12.816 2.127 1.00 0.00 C ATOM 261 CE LYS A 222 25.404 -11.482 1.528 1.00 0.00 C ATOM 262 NZ LYS A 222 26.832 -11.556 1.120 1.00 0.00 N ATOM 0 H LYS A 222 22.455 -16.524 3.274 1.00 0.00 H new ATOM 0 HA LYS A 222 24.624 -14.820 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 222 23.181 -14.782 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 222 21.855 -14.160 2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 222 22.934 -12.232 1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 222 23.367 -12.211 3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 222 25.587 -13.036 3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 222 25.160 -13.619 1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 222 24.779 -11.244 0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 222 25.262 -10.683 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 222 27.123 -10.646 0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 222 27.420 -11.765 1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 222 26.952 -12.309 0.413 1.00 0.00 H new ATOM 276 N ARG A 223 21.920 -14.441 5.642 1.00 0.00 N ATOM 277 CA ARG A 223 21.385 -13.796 6.826 1.00 0.00 C ATOM 278 C ARG A 223 22.320 -14.008 8.012 1.00 0.00 C ATOM 279 O ARG A 223 22.588 -13.083 8.777 1.00 0.00 O ATOM 280 CB ARG A 223 20.005 -14.376 7.154 1.00 0.00 C ATOM 281 CG ARG A 223 19.318 -13.512 8.230 1.00 0.00 C ATOM 282 CD ARG A 223 18.582 -12.343 7.565 1.00 0.00 C ATOM 283 NE ARG A 223 17.856 -11.576 8.561 1.00 0.00 N ATOM 284 CZ ARG A 223 17.106 -10.538 8.209 1.00 0.00 C ATOM 285 NH1 ARG A 223 17.020 -10.192 6.952 1.00 0.00 N ATOM 286 NH2 ARG A 223 16.457 -9.865 9.116 1.00 0.00 N ATOM 0 H ARG A 223 21.318 -15.159 5.239 1.00 0.00 H new ATOM 0 HA ARG A 223 21.295 -12.727 6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 223 19.391 -14.409 6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 223 20.106 -15.402 7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 223 18.615 -14.118 8.802 1.00 0.00 H new ATOM 0 HG3 ARG A 223 20.059 -13.134 8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 223 19.296 -11.700 7.050 1.00 0.00 H new ATOM 0 HD3 ARG A 223 17.891 -12.720 6.811 1.00 0.00 H new ATOM 0 HE ARG A 223 17.923 -11.838 9.545 1.00 0.00 H new ATOM 0 HH11 ARG A 223 17.529 -10.719 6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 223 16.444 -9.395 6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 223 16.525 -10.135 10.097 1.00 0.00 H new ATOM 0 HH22 ARG A 223 15.881 -9.068 8.845 1.00 0.00 H new ATOM 300 N GLU A 224 22.805 -15.233 8.156 1.00 0.00 N ATOM 301 CA GLU A 224 23.709 -15.565 9.251 1.00 0.00 C ATOM 302 C GLU A 224 25.028 -14.817 9.102 1.00 0.00 C ATOM 303 O GLU A 224 25.671 -14.467 10.094 1.00 0.00 O ATOM 304 CB GLU A 224 23.974 -17.074 9.266 1.00 0.00 C ATOM 305 CG GLU A 224 22.679 -17.823 9.586 1.00 0.00 C ATOM 306 CD GLU A 224 22.227 -17.504 11.008 1.00 0.00 C ATOM 307 OE1 GLU A 224 23.063 -17.083 11.792 1.00 0.00 O ATOM 308 OE2 GLU A 224 21.054 -17.680 11.292 1.00 0.00 O ATOM 0 H GLU A 224 22.590 -16.011 7.532 1.00 0.00 H new ATOM 0 HA GLU A 224 23.241 -15.267 10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 224 24.361 -17.394 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 224 24.736 -17.312 10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 224 21.901 -17.540 8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 224 22.834 -18.896 9.477 1.00 0.00 H new ATOM 315 N TYR A 225 25.429 -14.578 7.860 1.00 0.00 N ATOM 316 CA TYR A 225 26.678 -13.874 7.588 1.00 0.00 C ATOM 317 C TYR A 225 26.631 -12.463 8.168 1.00 0.00 C ATOM 318 O TYR A 225 27.626 -11.966 8.694 1.00 0.00 O ATOM 319 CB TYR A 225 26.924 -13.805 6.080 1.00 0.00 C ATOM 320 CG TYR A 225 28.240 -13.113 5.817 1.00 0.00 C ATOM 321 CD1 TYR A 225 29.443 -13.789 6.054 1.00 0.00 C ATOM 322 CD2 TYR A 225 28.258 -11.798 5.335 1.00 0.00 C ATOM 323 CE1 TYR A 225 30.663 -13.149 5.807 1.00 0.00 C ATOM 324 CE2 TYR A 225 29.478 -11.160 5.089 1.00 0.00 C ATOM 325 CZ TYR A 225 30.681 -11.834 5.327 1.00 0.00 C ATOM 326 OH TYR A 225 31.885 -11.205 5.085 1.00 0.00 O ATOM 0 H TYR A 225 24.911 -14.859 7.028 1.00 0.00 H new ATOM 0 HA TYR A 225 27.494 -14.422 8.060 1.00 0.00 H new ATOM 0 HB2 TYR A 225 26.938 -14.809 5.656 1.00 0.00 H new ATOM 0 HB3 TYR A 225 26.113 -13.265 5.593 1.00 0.00 H new ATOM 0 HD1 TYR A 225 29.430 -14.803 6.427 1.00 0.00 H new ATOM 0 HD2 TYR A 225 27.330 -11.277 5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 225 31.592 -13.670 5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 225 29.492 -10.147 4.715 1.00 0.00 H new ATOM 0 HH TYR A 225 31.719 -10.297 4.754 1.00 0.00 H new ATOM 336 N LYS A 226 25.470 -11.828 8.069 1.00 0.00 N ATOM 337 CA LYS A 226 25.303 -10.474 8.589 1.00 0.00 C ATOM 338 C LYS A 226 25.511 -10.454 10.099 1.00 0.00 C ATOM 339 O LYS A 226 26.105 -9.523 10.642 1.00 0.00 O ATOM 340 CB LYS A 226 23.902 -9.955 8.260 1.00 0.00 C ATOM 341 CG LYS A 226 23.774 -9.747 6.751 1.00 0.00 C ATOM 342 CD LYS A 226 22.363 -9.256 6.421 1.00 0.00 C ATOM 343 CE LYS A 226 22.206 -9.135 4.904 1.00 0.00 C ATOM 344 NZ LYS A 226 23.125 -8.081 4.391 1.00 0.00 N ATOM 0 H LYS A 226 24.635 -12.224 7.637 1.00 0.00 H new ATOM 0 HA LYS A 226 26.047 -9.830 8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 226 23.150 -10.665 8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 226 23.718 -9.017 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 226 24.512 -9.021 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 226 23.978 -10.680 6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 226 21.623 -9.950 6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 226 22.183 -8.291 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 226 22.429 -10.090 4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 226 21.175 -8.887 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 22.827 -7.795 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 23.096 -7.257 5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 24.095 -8.454 4.353 1.00 0.00 H new ATOM 358 N GLU A 227 25.013 -11.484 10.773 1.00 0.00 N ATOM 359 CA GLU A 227 25.145 -11.568 12.223 1.00 0.00 C ATOM 360 C GLU A 227 26.600 -11.379 12.634 1.00 0.00 C ATOM 361 O GLU A 227 26.889 -10.803 13.684 1.00 0.00 O ATOM 362 CB GLU A 227 24.644 -12.931 12.714 1.00 0.00 C ATOM 363 CG GLU A 227 24.585 -12.935 14.244 1.00 0.00 C ATOM 364 CD GLU A 227 23.467 -12.014 14.722 1.00 0.00 C ATOM 365 OE1 GLU A 227 22.693 -11.569 13.889 1.00 0.00 O ATOM 366 OE2 GLU A 227 23.405 -11.762 15.914 1.00 0.00 O ATOM 0 H GLU A 227 24.518 -12.266 10.344 1.00 0.00 H new ATOM 0 HA GLU A 227 24.545 -10.778 12.674 1.00 0.00 H new ATOM 0 HB2 GLU A 227 23.656 -13.137 12.301 1.00 0.00 H new ATOM 0 HB3 GLU A 227 25.307 -13.722 12.363 1.00 0.00 H new ATOM 0 HG2 GLU A 227 24.414 -13.948 14.608 1.00 0.00 H new ATOM 0 HG3 GLU A 227 25.540 -12.606 14.654 1.00 0.00 H new ATOM 373 N MET A 228 27.513 -11.869 11.805 1.00 0.00 N ATOM 374 CA MET A 228 28.933 -11.748 12.102 1.00 0.00 C ATOM 375 C MET A 228 29.341 -10.279 12.161 1.00 0.00 C ATOM 376 O MET A 228 30.131 -9.878 13.015 1.00 0.00 O ATOM 377 CB MET A 228 29.756 -12.467 11.026 1.00 0.00 C ATOM 378 CG MET A 228 31.248 -12.399 11.375 1.00 0.00 C ATOM 379 SD MET A 228 31.548 -13.314 12.912 1.00 0.00 S ATOM 380 CE MET A 228 32.293 -14.782 12.172 1.00 0.00 C ATOM 0 H MET A 228 27.298 -12.349 10.931 1.00 0.00 H new ATOM 0 HA MET A 228 29.125 -12.208 13.072 1.00 0.00 H new ATOM 0 HB2 MET A 228 29.439 -13.507 10.948 1.00 0.00 H new ATOM 0 HB3 MET A 228 29.580 -12.007 10.054 1.00 0.00 H new ATOM 0 HG2 MET A 228 31.842 -12.822 10.565 1.00 0.00 H new ATOM 0 HG3 MET A 228 31.559 -11.361 11.490 1.00 0.00 H new ATOM 0 HE1 MET A 228 32.559 -15.490 12.957 1.00 0.00 H new ATOM 0 HE2 MET A 228 31.581 -15.247 11.490 1.00 0.00 H new ATOM 0 HE3 MET A 228 33.190 -14.497 11.622 1.00 0.00 H new ATOM 390 N GLU A 229 28.797 -9.484 11.250 1.00 0.00 N ATOM 391 CA GLU A 229 29.110 -8.059 11.207 1.00 0.00 C ATOM 392 C GLU A 229 28.437 -7.335 12.365 1.00 0.00 C ATOM 393 O GLU A 229 28.517 -6.112 12.471 1.00 0.00 O ATOM 394 CB GLU A 229 28.637 -7.459 9.882 1.00 0.00 C ATOM 395 CG GLU A 229 29.490 -8.010 8.736 1.00 0.00 C ATOM 396 CD GLU A 229 28.954 -7.509 7.400 1.00 0.00 C ATOM 397 OE1 GLU A 229 27.964 -6.795 7.411 1.00 0.00 O ATOM 398 OE2 GLU A 229 29.539 -7.847 6.385 1.00 0.00 O ATOM 0 H GLU A 229 28.141 -9.797 10.534 1.00 0.00 H new ATOM 0 HA GLU A 229 30.190 -7.938 11.292 1.00 0.00 H new ATOM 0 HB2 GLU A 229 27.587 -7.700 9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 229 28.713 -6.372 9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 229 30.527 -7.698 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 229 29.480 -9.100 8.756 1.00 0.00 H new ATOM 405 N GLY A 230 27.777 -8.098 13.229 1.00 0.00 N ATOM 406 CA GLY A 230 27.095 -7.514 14.373 1.00 0.00 C ATOM 407 C GLY A 230 28.070 -6.729 15.234 1.00 0.00 C ATOM 408 O GLY A 230 29.228 -7.111 15.380 1.00 0.00 O ATOM 0 H GLY A 230 27.701 -9.113 13.159 1.00 0.00 H new ATOM 0 HA2 GLY A 230 26.295 -6.858 14.030 1.00 0.00 H new ATOM 0 HA3 GLY A 230 26.630 -8.301 14.966 1.00 0.00 H new ATOM 412 N SER A 231 27.593 -5.628 15.809 1.00 0.00 N ATOM 413 CA SER A 231 28.428 -4.782 16.666 1.00 0.00 C ATOM 414 C SER A 231 27.780 -4.617 18.041 1.00 0.00 C ATOM 415 O SER A 231 27.097 -3.628 18.302 1.00 0.00 O ATOM 416 CB SER A 231 28.619 -3.414 16.022 1.00 0.00 C ATOM 417 OG SER A 231 29.371 -3.569 14.826 1.00 0.00 O ATOM 0 H SER A 231 26.634 -5.299 15.699 1.00 0.00 H new ATOM 0 HA SER A 231 29.400 -5.261 16.787 1.00 0.00 H new ATOM 0 HB2 SER A 231 27.652 -2.962 15.803 1.00 0.00 H new ATOM 0 HB3 SER A 231 29.136 -2.743 16.708 1.00 0.00 H new ATOM 0 HG SER A 231 29.498 -2.694 14.403 1.00 0.00 H new ATOM 423 N PRO A 232 27.991 -5.563 18.919 1.00 0.00 N ATOM 424 CA PRO A 232 27.420 -5.526 20.298 1.00 0.00 C ATOM 425 C PRO A 232 27.842 -4.267 21.055 1.00 0.00 C ATOM 426 O PRO A 232 28.957 -3.773 20.890 1.00 0.00 O ATOM 427 CB PRO A 232 27.993 -6.791 20.970 1.00 0.00 C ATOM 428 CG PRO A 232 28.385 -7.694 19.842 1.00 0.00 C ATOM 429 CD PRO A 232 28.780 -6.782 18.687 1.00 0.00 C ATOM 0 HA PRO A 232 26.330 -5.504 20.290 1.00 0.00 H new ATOM 0 HB2 PRO A 232 28.851 -6.549 21.597 1.00 0.00 H new ATOM 0 HB3 PRO A 232 27.252 -7.265 21.614 1.00 0.00 H new ATOM 0 HG2 PRO A 232 29.215 -8.339 20.130 1.00 0.00 H new ATOM 0 HG3 PRO A 232 27.558 -8.345 19.559 1.00 0.00 H new ATOM 0 HD2 PRO A 232 29.850 -6.573 18.690 1.00 0.00 H new ATOM 0 HD3 PRO A 232 28.546 -7.233 17.723 1.00 0.00 H new ATOM 437 N GLU A 233 26.942 -3.761 21.890 1.00 0.00 N ATOM 438 CA GLU A 233 27.229 -2.567 22.673 1.00 0.00 C ATOM 439 C GLU A 233 28.344 -2.840 23.677 1.00 0.00 C ATOM 440 O GLU A 233 28.839 -1.927 24.330 1.00 0.00 O ATOM 441 CB GLU A 233 25.970 -2.112 23.413 1.00 0.00 C ATOM 442 CG GLU A 233 24.943 -1.601 22.401 1.00 0.00 C ATOM 443 CD GLU A 233 23.643 -1.247 23.114 1.00 0.00 C ATOM 444 OE1 GLU A 233 23.579 -1.434 24.317 1.00 0.00 O ATOM 445 OE2 GLU A 233 22.729 -0.791 22.445 1.00 0.00 O ATOM 0 H GLU A 233 26.014 -4.156 22.041 1.00 0.00 H new ATOM 0 HA GLU A 233 27.554 -1.779 21.994 1.00 0.00 H new ATOM 0 HB2 GLU A 233 25.552 -2.940 23.985 1.00 0.00 H new ATOM 0 HB3 GLU A 233 26.218 -1.325 24.125 1.00 0.00 H new ATOM 0 HG2 GLU A 233 25.334 -0.725 21.884 1.00 0.00 H new ATOM 0 HG3 GLU A 233 24.757 -2.362 21.643 1.00 0.00 H new ATOM 452 N ILE A 234 28.728 -4.103 23.798 1.00 0.00 N ATOM 453 CA ILE A 234 29.786 -4.484 24.728 1.00 0.00 C ATOM 454 C ILE A 234 31.106 -3.847 24.324 1.00 0.00 C ATOM 455 O ILE A 234 31.845 -3.344 25.168 1.00 0.00 O ATOM 456 CB ILE A 234 29.936 -6.006 24.757 1.00 0.00 C ATOM 457 CG1 ILE A 234 28.567 -6.650 25.007 1.00 0.00 C ATOM 458 CG2 ILE A 234 30.902 -6.409 25.871 1.00 0.00 C ATOM 459 CD1 ILE A 234 27.938 -6.081 26.288 1.00 0.00 C ATOM 0 H ILE A 234 28.327 -4.878 23.269 1.00 0.00 H new ATOM 0 HA ILE A 234 29.515 -4.130 25.722 1.00 0.00 H new ATOM 0 HB ILE A 234 30.330 -6.348 23.800 1.00 0.00 H new ATOM 0 HG12 ILE A 234 27.910 -6.465 24.157 1.00 0.00 H new ATOM 0 HG13 ILE A 234 28.676 -7.731 25.096 1.00 0.00 H new ATOM 0 HG21 ILE A 234 31.006 -7.494 25.888 1.00 0.00 H new ATOM 0 HG22 ILE A 234 31.876 -5.954 25.690 1.00 0.00 H new ATOM 0 HG23 ILE A 234 30.514 -6.067 26.830 1.00 0.00 H new ATOM 0 HD11 ILE A 234 26.966 -6.546 26.454 1.00 0.00 H new ATOM 0 HD12 ILE A 234 28.590 -6.289 27.137 1.00 0.00 H new ATOM 0 HD13 ILE A 234 27.811 -5.003 26.183 1.00 0.00 H new ATOM 471 N LYS A 235 31.398 -3.875 23.029 1.00 0.00 N ATOM 472 CA LYS A 235 32.635 -3.297 22.527 1.00 0.00 C ATOM 473 C LYS A 235 32.613 -1.780 22.674 1.00 0.00 C ATOM 474 O LYS A 235 33.620 -1.111 22.443 1.00 0.00 O ATOM 475 CB LYS A 235 32.833 -3.664 21.057 1.00 0.00 C ATOM 476 CG LYS A 235 33.098 -5.165 20.935 1.00 0.00 C ATOM 477 CD LYS A 235 33.283 -5.533 19.461 1.00 0.00 C ATOM 478 CE LYS A 235 33.655 -7.012 19.347 1.00 0.00 C ATOM 479 NZ LYS A 235 32.541 -7.848 19.876 1.00 0.00 N ATOM 0 H LYS A 235 30.800 -4.289 22.314 1.00 0.00 H new ATOM 0 HA LYS A 235 33.462 -3.699 23.112 1.00 0.00 H new ATOM 0 HB2 LYS A 235 31.948 -3.393 20.481 1.00 0.00 H new ATOM 0 HB3 LYS A 235 33.669 -3.102 20.641 1.00 0.00 H new ATOM 0 HG2 LYS A 235 33.988 -5.435 21.503 1.00 0.00 H new ATOM 0 HG3 LYS A 235 32.266 -5.728 21.360 1.00 0.00 H new ATOM 0 HD2 LYS A 235 32.365 -5.334 18.908 1.00 0.00 H new ATOM 0 HD3 LYS A 235 34.063 -4.915 19.016 1.00 0.00 H new ATOM 0 HE2 LYS A 235 33.854 -7.269 18.306 1.00 0.00 H new ATOM 0 HE3 LYS A 235 34.570 -7.212 19.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 32.664 -8.831 19.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 32.546 -7.816 20.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 31.634 -7.482 19.523 1.00 0.00 H new ATOM 493 N SER A 236 31.459 -1.242 23.059 1.00 0.00 N ATOM 494 CA SER A 236 31.331 0.198 23.228 1.00 0.00 C ATOM 495 C SER A 236 32.243 0.666 24.351 1.00 0.00 C ATOM 496 O SER A 236 32.629 1.830 24.407 1.00 0.00 O ATOM 497 CB SER A 236 29.886 0.566 23.558 1.00 0.00 C ATOM 498 OG SER A 236 29.604 0.210 24.904 1.00 0.00 O ATOM 0 H SER A 236 30.612 -1.774 23.257 1.00 0.00 H new ATOM 0 HA SER A 236 31.618 0.687 22.297 1.00 0.00 H new ATOM 0 HB2 SER A 236 29.729 1.635 23.412 1.00 0.00 H new ATOM 0 HB3 SER A 236 29.204 0.049 22.883 1.00 0.00 H new ATOM 0 HG SER A 236 29.075 -0.615 24.920 1.00 0.00 H new ATOM 504 N LYS A 237 32.591 -0.260 25.238 1.00 0.00 N ATOM 505 CA LYS A 237 33.465 0.051 26.362 1.00 0.00 C ATOM 506 C LYS A 237 34.836 0.491 25.862 1.00 0.00 C ATOM 507 O LYS A 237 35.456 1.394 26.424 1.00 0.00 O ATOM 508 CB LYS A 237 33.617 -1.179 27.252 1.00 0.00 C ATOM 509 CG LYS A 237 32.272 -1.501 27.915 1.00 0.00 C ATOM 510 CD LYS A 237 32.382 -2.814 28.709 1.00 0.00 C ATOM 511 CE LYS A 237 32.997 -2.540 30.084 1.00 0.00 C ATOM 512 NZ LYS A 237 32.153 -1.552 30.813 1.00 0.00 N ATOM 0 H LYS A 237 32.281 -1.231 25.200 1.00 0.00 H new ATOM 0 HA LYS A 237 33.021 0.864 26.936 1.00 0.00 H new ATOM 0 HB2 LYS A 237 33.955 -2.029 26.660 1.00 0.00 H new ATOM 0 HB3 LYS A 237 34.376 -0.998 28.013 1.00 0.00 H new ATOM 0 HG2 LYS A 237 31.980 -0.687 28.579 1.00 0.00 H new ATOM 0 HG3 LYS A 237 31.494 -1.588 27.156 1.00 0.00 H new ATOM 0 HD2 LYS A 237 31.396 -3.263 28.825 1.00 0.00 H new ATOM 0 HD3 LYS A 237 32.996 -3.530 28.162 1.00 0.00 H new ATOM 0 HE2 LYS A 237 33.068 -3.466 30.654 1.00 0.00 H new ATOM 0 HE3 LYS A 237 34.011 -2.156 29.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 32.209 -1.735 31.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 32.495 -0.590 30.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 31.165 -1.640 30.499 1.00 0.00 H new ATOM 526 N ARG A 238 35.303 -0.156 24.801 1.00 0.00 N ATOM 527 CA ARG A 238 36.602 0.169 24.225 1.00 0.00 C ATOM 528 C ARG A 238 36.600 1.595 23.682 1.00 0.00 C ATOM 529 O ARG A 238 37.584 2.318 23.809 1.00 0.00 O ATOM 530 CB ARG A 238 36.939 -0.811 23.098 1.00 0.00 C ATOM 531 CG ARG A 238 38.349 -0.526 22.573 1.00 0.00 C ATOM 532 CD ARG A 238 38.681 -1.499 21.443 1.00 0.00 C ATOM 533 NE ARG A 238 40.073 -1.346 21.041 1.00 0.00 N ATOM 534 CZ ARG A 238 40.474 -0.292 20.334 1.00 0.00 C ATOM 535 NH1 ARG A 238 39.614 0.630 19.995 1.00 0.00 N ATOM 536 NH2 ARG A 238 41.725 -0.179 19.985 1.00 0.00 N ATOM 0 H ARG A 238 34.804 -0.906 24.323 1.00 0.00 H new ATOM 0 HA ARG A 238 37.357 0.089 25.007 1.00 0.00 H new ATOM 0 HB2 ARG A 238 36.876 -1.836 23.463 1.00 0.00 H new ATOM 0 HB3 ARG A 238 36.213 -0.715 22.290 1.00 0.00 H new ATOM 0 HG2 ARG A 238 38.413 0.501 22.213 1.00 0.00 H new ATOM 0 HG3 ARG A 238 39.076 -0.627 23.379 1.00 0.00 H new ATOM 0 HD2 ARG A 238 38.500 -2.523 21.770 1.00 0.00 H new ATOM 0 HD3 ARG A 238 38.026 -1.316 20.591 1.00 0.00 H new ATOM 0 HE ARG A 238 40.752 -2.059 21.306 1.00 0.00 H new ATOM 0 HH11 ARG A 238 38.636 0.542 20.272 1.00 0.00 H new ATOM 0 HH12 ARG A 238 39.920 1.438 19.453 1.00 0.00 H new ATOM 0 HH21 ARG A 238 42.396 -0.898 20.254 1.00 0.00 H new ATOM 0 HH22 ARG A 238 42.032 0.629 19.443 1.00 0.00 H new ATOM 550 N ARG A 239 35.491 1.991 23.065 1.00 0.00 N ATOM 551 CA ARG A 239 35.379 3.331 22.497 1.00 0.00 C ATOM 552 C ARG A 239 35.531 4.388 23.588 1.00 0.00 C ATOM 553 O ARG A 239 36.098 5.455 23.357 1.00 0.00 O ATOM 554 CB ARG A 239 34.024 3.497 21.809 1.00 0.00 C ATOM 555 CG ARG A 239 33.985 2.639 20.543 1.00 0.00 C ATOM 556 CD ARG A 239 32.618 2.781 19.870 1.00 0.00 C ATOM 557 NE ARG A 239 32.570 1.981 18.652 1.00 0.00 N ATOM 558 CZ ARG A 239 31.473 1.940 17.902 1.00 0.00 C ATOM 559 NH1 ARG A 239 30.416 2.616 18.256 1.00 0.00 N ATOM 560 NH2 ARG A 239 31.456 1.221 16.812 1.00 0.00 N ATOM 0 H ARG A 239 34.662 1.408 22.946 1.00 0.00 H new ATOM 0 HA ARG A 239 36.175 3.462 21.764 1.00 0.00 H new ATOM 0 HB2 ARG A 239 33.222 3.202 22.486 1.00 0.00 H new ATOM 0 HB3 ARG A 239 33.859 4.544 21.556 1.00 0.00 H new ATOM 0 HG2 ARG A 239 34.773 2.949 19.857 1.00 0.00 H new ATOM 0 HG3 ARG A 239 34.172 1.595 20.793 1.00 0.00 H new ATOM 0 HD2 ARG A 239 31.833 2.461 20.555 1.00 0.00 H new ATOM 0 HD3 ARG A 239 32.428 3.828 19.634 1.00 0.00 H new ATOM 0 HE ARG A 239 33.391 1.445 18.371 1.00 0.00 H new ATOM 0 HH11 ARG A 239 30.431 3.176 19.108 1.00 0.00 H new ATOM 0 HH12 ARG A 239 29.574 2.585 17.681 1.00 0.00 H new ATOM 0 HH21 ARG A 239 32.284 0.692 16.537 1.00 0.00 H new ATOM 0 HH22 ARG A 239 30.615 1.188 16.236 1.00 0.00 H new ATOM 574 N GLN A 240 35.016 4.083 24.772 1.00 0.00 N ATOM 575 CA GLN A 240 35.097 5.014 25.891 1.00 0.00 C ATOM 576 C GLN A 240 36.554 5.321 26.222 1.00 0.00 C ATOM 577 O GLN A 240 36.860 6.354 26.820 1.00 0.00 O ATOM 578 CB GLN A 240 34.405 4.415 27.118 1.00 0.00 C ATOM 579 CG GLN A 240 32.926 4.181 26.807 1.00 0.00 C ATOM 580 CD GLN A 240 32.221 5.511 26.568 1.00 0.00 C ATOM 581 OE1 GLN A 240 32.273 6.401 27.415 1.00 0.00 O ATOM 582 NE2 GLN A 240 31.568 5.704 25.455 1.00 0.00 N ATOM 0 H GLN A 240 34.541 3.205 24.982 1.00 0.00 H new ATOM 0 HA GLN A 240 34.596 5.941 25.610 1.00 0.00 H new ATOM 0 HB2 GLN A 240 34.882 3.475 27.395 1.00 0.00 H new ATOM 0 HB3 GLN A 240 34.506 5.087 27.970 1.00 0.00 H new ATOM 0 HG2 GLN A 240 32.828 3.546 25.926 1.00 0.00 H new ATOM 0 HG3 GLN A 240 32.452 3.653 27.635 1.00 0.00 H new ATOM 0 HE21 GLN A 240 31.526 4.965 24.754 1.00 0.00 H new ATOM 0 HE22 GLN A 240 31.100 6.594 25.286 1.00 0.00 H new ATOM 591 N PHE A 241 37.447 4.420 25.829 1.00 0.00 N ATOM 592 CA PHE A 241 38.868 4.607 26.088 1.00 0.00 C ATOM 593 C PHE A 241 39.394 5.816 25.319 1.00 0.00 C ATOM 594 O PHE A 241 40.416 6.398 25.680 1.00 0.00 O ATOM 595 CB PHE A 241 39.647 3.361 25.671 1.00 0.00 C ATOM 596 CG PHE A 241 41.098 3.522 26.060 1.00 0.00 C ATOM 597 CD1 PHE A 241 41.493 3.306 27.384 1.00 0.00 C ATOM 598 CD2 PHE A 241 42.045 3.890 25.096 1.00 0.00 C ATOM 599 CE1 PHE A 241 42.836 3.457 27.747 1.00 0.00 C ATOM 600 CE2 PHE A 241 43.387 4.041 25.459 1.00 0.00 C ATOM 601 CZ PHE A 241 43.784 3.826 26.783 1.00 0.00 C ATOM 0 H PHE A 241 37.214 3.559 25.334 1.00 0.00 H new ATOM 0 HA PHE A 241 39.003 4.777 27.156 1.00 0.00 H new ATOM 0 HB2 PHE A 241 39.226 2.478 26.152 1.00 0.00 H new ATOM 0 HB3 PHE A 241 39.562 3.209 24.595 1.00 0.00 H new ATOM 0 HD1 PHE A 241 40.762 3.023 28.126 1.00 0.00 H new ATOM 0 HD2 PHE A 241 41.739 4.057 24.074 1.00 0.00 H new ATOM 0 HE1 PHE A 241 43.142 3.289 28.769 1.00 0.00 H new ATOM 0 HE2 PHE A 241 44.118 4.324 24.716 1.00 0.00 H new ATOM 0 HZ PHE A 241 44.821 3.944 27.062 1.00 0.00 H new ATOM 611 N HIS A 242 38.683 6.190 24.259 1.00 0.00 N ATOM 612 CA HIS A 242 39.085 7.333 23.449 1.00 0.00 C ATOM 613 C HIS A 242 39.258 8.571 24.322 1.00 0.00 C ATOM 614 O HIS A 242 39.892 9.545 23.917 1.00 0.00 O ATOM 615 CB HIS A 242 38.034 7.610 22.373 1.00 0.00 C ATOM 616 CG HIS A 242 38.062 6.509 21.349 1.00 0.00 C ATOM 617 ND1 HIS A 242 39.245 6.060 20.782 1.00 0.00 N ATOM 618 CD2 HIS A 242 37.065 5.758 20.778 1.00 0.00 C ATOM 619 CE1 HIS A 242 38.932 5.084 19.911 1.00 0.00 C ATOM 620 NE2 HIS A 242 37.617 4.861 19.870 1.00 0.00 N ATOM 0 H HIS A 242 37.833 5.722 23.944 1.00 0.00 H new ATOM 0 HA HIS A 242 40.037 7.099 22.973 1.00 0.00 H new ATOM 0 HB2 HIS A 242 37.044 7.676 22.825 1.00 0.00 H new ATOM 0 HB3 HIS A 242 38.231 8.570 21.896 1.00 0.00 H new ATOM 0 HD2 HIS A 242 36.012 5.850 21.000 1.00 0.00 H new ATOM 0 HE1 HIS A 242 39.657 4.546 19.317 1.00 0.00 H new ATOM 0 HE2 HIS A 242 37.122 4.179 19.295 1.00 0.00 H new ATOM 628 N GLN A 243 38.689 8.523 25.522 1.00 0.00 N ATOM 629 CA GLN A 243 38.788 9.644 26.447 1.00 0.00 C ATOM 630 C GLN A 243 40.235 9.847 26.884 1.00 0.00 C ATOM 631 O GLN A 243 40.696 10.980 27.037 1.00 0.00 O ATOM 632 CB GLN A 243 37.913 9.390 27.675 1.00 0.00 C ATOM 633 CG GLN A 243 36.439 9.421 27.266 1.00 0.00 C ATOM 634 CD GLN A 243 35.557 9.135 28.478 1.00 0.00 C ATOM 635 OE1 GLN A 243 36.059 8.990 29.592 1.00 0.00 O ATOM 636 NE2 GLN A 243 34.264 9.049 28.325 1.00 0.00 N ATOM 0 H GLN A 243 38.159 7.726 25.874 1.00 0.00 H new ATOM 0 HA GLN A 243 38.442 10.543 25.937 1.00 0.00 H new ATOM 0 HB2 GLN A 243 38.159 8.424 28.116 1.00 0.00 H new ATOM 0 HB3 GLN A 243 38.106 10.147 28.435 1.00 0.00 H new ATOM 0 HG2 GLN A 243 36.190 10.395 26.846 1.00 0.00 H new ATOM 0 HG3 GLN A 243 36.253 8.681 26.487 1.00 0.00 H new ATOM 0 HE21 GLN A 243 33.851 9.170 27.400 1.00 0.00 H new ATOM 0 HE22 GLN A 243 33.667 8.861 29.130 1.00 0.00 H new ATOM 645 N GLU A 244 40.947 8.744 27.079 1.00 0.00 N ATOM 646 CA GLU A 244 42.342 8.808 27.496 1.00 0.00 C ATOM 647 C GLU A 244 43.203 9.410 26.390 1.00 0.00 C ATOM 648 O GLU A 244 44.158 10.136 26.661 1.00 0.00 O ATOM 649 CB GLU A 244 42.845 7.403 27.837 1.00 0.00 C ATOM 650 CG GLU A 244 42.090 6.870 29.056 1.00 0.00 C ATOM 651 CD GLU A 244 42.450 7.683 30.294 1.00 0.00 C ATOM 652 OE1 GLU A 244 43.494 8.316 30.279 1.00 0.00 O ATOM 653 OE2 GLU A 244 41.680 7.663 31.240 1.00 0.00 O ATOM 0 H GLU A 244 40.584 7.799 26.956 1.00 0.00 H new ATOM 0 HA GLU A 244 42.414 9.443 28.379 1.00 0.00 H new ATOM 0 HB2 GLU A 244 42.699 6.737 26.986 1.00 0.00 H new ATOM 0 HB3 GLU A 244 43.915 7.429 28.042 1.00 0.00 H new ATOM 0 HG2 GLU A 244 41.016 6.920 28.878 1.00 0.00 H new ATOM 0 HG3 GLU A 244 42.338 5.821 29.216 1.00 0.00 H new ATOM 660 N ILE A 245 42.861 9.100 25.145 1.00 0.00 N ATOM 661 CA ILE A 245 43.611 9.617 24.006 1.00 0.00 C ATOM 662 C ILE A 245 43.500 11.132 23.939 1.00 0.00 C ATOM 663 O ILE A 245 44.490 11.827 23.715 1.00 0.00 O ATOM 664 CB ILE A 245 43.084 9.002 22.707 1.00 0.00 C ATOM 665 CG1 ILE A 245 43.050 7.473 22.843 1.00 0.00 C ATOM 666 CG2 ILE A 245 43.997 9.390 21.544 1.00 0.00 C ATOM 667 CD1 ILE A 245 44.435 6.946 23.251 1.00 0.00 C ATOM 0 H ILE A 245 42.075 8.498 24.899 1.00 0.00 H new ATOM 0 HA ILE A 245 44.659 9.347 24.132 1.00 0.00 H new ATOM 0 HB ILE A 245 42.078 9.374 22.514 1.00 0.00 H new ATOM 0 HG12 ILE A 245 42.309 7.183 23.588 1.00 0.00 H new ATOM 0 HG13 ILE A 245 42.745 7.023 21.898 1.00 0.00 H new ATOM 0 HG21 ILE A 245 43.618 8.950 20.622 1.00 0.00 H new ATOM 0 HG22 ILE A 245 44.020 10.475 21.446 1.00 0.00 H new ATOM 0 HG23 ILE A 245 45.005 9.022 21.734 1.00 0.00 H new ATOM 0 HD11 ILE A 245 44.398 5.861 23.344 1.00 0.00 H new ATOM 0 HD12 ILE A 245 45.167 7.220 22.491 1.00 0.00 H new ATOM 0 HD13 ILE A 245 44.723 7.383 24.207 1.00 0.00 H new ATOM 679 N GLN A 246 42.288 11.640 24.135 1.00 0.00 N ATOM 680 CA GLN A 246 42.066 13.077 24.092 1.00 0.00 C ATOM 681 C GLN A 246 42.836 13.773 25.208 1.00 0.00 C ATOM 682 O GLN A 246 43.392 14.854 25.011 1.00 0.00 O ATOM 683 CB GLN A 246 40.570 13.381 24.235 1.00 0.00 C ATOM 684 CG GLN A 246 40.282 14.817 23.780 1.00 0.00 C ATOM 685 CD GLN A 246 40.865 15.807 24.784 1.00 0.00 C ATOM 686 OE1 GLN A 246 40.892 15.532 25.984 1.00 0.00 O ATOM 687 NE2 GLN A 246 41.339 16.946 24.362 1.00 0.00 N ATOM 0 H GLN A 246 41.454 11.084 24.323 1.00 0.00 H new ATOM 0 HA GLN A 246 42.423 13.451 23.132 1.00 0.00 H new ATOM 0 HB2 GLN A 246 39.989 12.678 23.638 1.00 0.00 H new ATOM 0 HB3 GLN A 246 40.261 13.250 25.272 1.00 0.00 H new ATOM 0 HG2 GLN A 246 40.714 14.989 22.794 1.00 0.00 H new ATOM 0 HG3 GLN A 246 39.207 14.970 23.688 1.00 0.00 H new ATOM 0 HE21 GLN A 246 41.315 17.171 23.367 1.00 0.00 H new ATOM 0 HE22 GLN A 246 41.733 17.612 25.026 1.00 0.00 H new ATOM 696 N SER A 247 42.863 13.152 26.379 1.00 0.00 N ATOM 697 CA SER A 247 43.566 13.723 27.521 1.00 0.00 C ATOM 698 C SER A 247 45.074 13.698 27.286 1.00 0.00 C ATOM 699 O SER A 247 45.830 14.390 27.970 1.00 0.00 O ATOM 700 CB SER A 247 43.230 12.939 28.789 1.00 0.00 C ATOM 701 OG SER A 247 43.641 11.588 28.630 1.00 0.00 O ATOM 0 H SER A 247 42.409 12.257 26.564 1.00 0.00 H new ATOM 0 HA SER A 247 43.245 14.758 27.642 1.00 0.00 H new ATOM 0 HB2 SER A 247 43.731 13.384 29.649 1.00 0.00 H new ATOM 0 HB3 SER A 247 42.159 12.984 28.985 1.00 0.00 H new ATOM 0 HG SER A 247 43.863 11.422 27.690 1.00 0.00 H new ATOM 707 N ARG A 248 45.507 12.889 26.324 1.00 0.00 N ATOM 708 CA ARG A 248 46.929 12.779 26.021 1.00 0.00 C ATOM 709 C ARG A 248 47.392 13.992 25.213 1.00 0.00 C ATOM 710 O ARG A 248 48.536 14.068 24.775 1.00 0.00 O ATOM 711 CB ARG A 248 47.197 11.493 25.229 1.00 0.00 C ATOM 712 CG ARG A 248 48.694 11.163 25.262 1.00 0.00 C ATOM 713 CD ARG A 248 48.936 9.819 24.582 1.00 0.00 C ATOM 714 NE ARG A 248 48.336 8.745 25.362 1.00 0.00 N ATOM 715 CZ ARG A 248 48.286 7.504 24.895 1.00 0.00 C ATOM 716 NH1 ARG A 248 48.778 7.229 23.718 1.00 0.00 N ATOM 717 NH2 ARG A 248 47.743 6.559 25.611 1.00 0.00 N ATOM 0 H ARG A 248 44.901 12.306 25.747 1.00 0.00 H new ATOM 0 HA ARG A 248 47.486 12.745 26.957 1.00 0.00 H new ATOM 0 HB2 ARG A 248 46.624 10.668 25.653 1.00 0.00 H new ATOM 0 HB3 ARG A 248 46.865 11.615 24.198 1.00 0.00 H new ATOM 0 HG2 ARG A 248 49.260 11.945 24.757 1.00 0.00 H new ATOM 0 HG3 ARG A 248 49.047 11.129 26.293 1.00 0.00 H new ATOM 0 HD2 ARG A 248 48.512 9.830 23.578 1.00 0.00 H new ATOM 0 HD3 ARG A 248 50.007 9.645 24.474 1.00 0.00 H new ATOM 0 HE ARG A 248 47.948 8.950 26.283 1.00 0.00 H new ATOM 0 HH11 ARG A 248 49.201 7.968 23.157 1.00 0.00 H new ATOM 0 HH12 ARG A 248 48.739 6.275 23.359 1.00 0.00 H new ATOM 0 HH21 ARG A 248 47.357 6.774 26.530 1.00 0.00 H new ATOM 0 HH22 ARG A 248 47.705 5.605 25.252 1.00 0.00 H new ATOM 731 N ASN A 249 46.495 14.946 25.025 1.00 0.00 N ATOM 732 CA ASN A 249 46.828 16.152 24.274 1.00 0.00 C ATOM 733 C ASN A 249 47.828 17.012 25.045 1.00 0.00 C ATOM 734 O ASN A 249 47.801 18.239 24.955 1.00 0.00 O ATOM 735 CB ASN A 249 45.559 16.960 23.997 1.00 0.00 C ATOM 736 CG ASN A 249 44.628 16.169 23.082 1.00 0.00 C ATOM 737 OD1 ASN A 249 43.423 16.422 23.057 1.00 0.00 O ATOM 738 ND2 ASN A 249 45.113 15.221 22.328 1.00 0.00 N ATOM 0 H ASN A 249 45.538 14.913 25.377 1.00 0.00 H new ATOM 0 HA ASN A 249 47.282 15.854 23.329 1.00 0.00 H new ATOM 0 HB2 ASN A 249 45.052 17.190 24.934 1.00 0.00 H new ATOM 0 HB3 ASN A 249 45.818 17.911 23.532 1.00 0.00 H new ATOM 0 HD21 ASN A 249 44.494 14.688 21.717 1.00 0.00 H new ATOM 0 HD22 ASN A 249 46.111 15.013 22.350 1.00 0.00 H new ATOM 745 N MET A 250 48.708 16.362 25.797 1.00 0.00 N ATOM 746 CA MET A 250 49.709 17.073 26.577 1.00 0.00 C ATOM 747 C MET A 250 50.761 17.687 25.659 1.00 0.00 C ATOM 748 O MET A 250 51.515 18.566 26.068 1.00 0.00 O ATOM 749 CB MET A 250 50.380 16.116 27.563 1.00 0.00 C ATOM 750 CG MET A 250 49.361 15.671 28.616 1.00 0.00 C ATOM 751 SD MET A 250 50.149 14.520 29.769 1.00 0.00 S ATOM 752 CE MET A 250 48.647 13.995 30.629 1.00 0.00 C ATOM 0 H MET A 250 48.748 15.346 25.882 1.00 0.00 H new ATOM 0 HA MET A 250 49.215 17.872 27.130 1.00 0.00 H new ATOM 0 HB2 MET A 250 50.774 15.249 27.033 1.00 0.00 H new ATOM 0 HB3 MET A 250 51.226 16.607 28.044 1.00 0.00 H new ATOM 0 HG2 MET A 250 48.977 16.537 29.155 1.00 0.00 H new ATOM 0 HG3 MET A 250 48.509 15.193 28.133 1.00 0.00 H new ATOM 0 HE1 MET A 250 48.904 13.269 31.400 1.00 0.00 H new ATOM 0 HE2 MET A 250 48.171 14.860 31.090 1.00 0.00 H new ATOM 0 HE3 MET A 250 47.960 13.540 29.916 1.00 0.00 H new ATOM 762 N ARG A 251 50.804 17.214 24.419 1.00 0.00 N ATOM 763 CA ARG A 251 51.767 17.725 23.449 1.00 0.00 C ATOM 764 C ARG A 251 51.564 19.220 23.226 1.00 0.00 C ATOM 765 O ARG A 251 52.519 19.955 22.976 1.00 0.00 O ATOM 766 CB ARG A 251 51.615 16.984 22.119 1.00 0.00 C ATOM 767 CG ARG A 251 52.123 15.549 22.272 1.00 0.00 C ATOM 768 CD ARG A 251 51.930 14.795 20.955 1.00 0.00 C ATOM 769 NE ARG A 251 52.414 13.425 21.081 1.00 0.00 N ATOM 770 CZ ARG A 251 52.594 12.660 20.010 1.00 0.00 C ATOM 771 NH1 ARG A 251 52.338 13.131 18.820 1.00 0.00 N ATOM 772 NH2 ARG A 251 53.026 11.436 20.146 1.00 0.00 N ATOM 0 H ARG A 251 50.189 16.483 24.063 1.00 0.00 H new ATOM 0 HA ARG A 251 52.770 17.561 23.843 1.00 0.00 H new ATOM 0 HB2 ARG A 251 50.570 16.980 21.811 1.00 0.00 H new ATOM 0 HB3 ARG A 251 52.176 17.498 21.338 1.00 0.00 H new ATOM 0 HG2 ARG A 251 53.177 15.553 22.550 1.00 0.00 H new ATOM 0 HG3 ARG A 251 51.584 15.045 23.074 1.00 0.00 H new ATOM 0 HD2 ARG A 251 50.875 14.792 20.681 1.00 0.00 H new ATOM 0 HD3 ARG A 251 52.465 15.305 20.154 1.00 0.00 H new ATOM 0 HE ARG A 251 52.618 13.048 22.007 1.00 0.00 H new ATOM 0 HH11 ARG A 251 51.999 14.087 18.712 1.00 0.00 H new ATOM 0 HH12 ARG A 251 52.476 12.543 17.998 1.00 0.00 H new ATOM 0 HH21 ARG A 251 53.226 11.066 21.075 1.00 0.00 H new ATOM 0 HH22 ARG A 251 53.164 10.849 19.323 1.00 0.00 H new ATOM 786 N GLU A 252 50.315 19.661 23.315 1.00 0.00 N ATOM 787 CA GLU A 252 49.996 21.071 23.121 1.00 0.00 C ATOM 788 C GLU A 252 50.823 21.942 24.059 1.00 0.00 C ATOM 789 O GLU A 252 50.893 23.159 23.890 1.00 0.00 O ATOM 790 CB GLU A 252 48.507 21.312 23.382 1.00 0.00 C ATOM 791 CG GLU A 252 47.682 20.635 22.285 1.00 0.00 C ATOM 792 CD GLU A 252 46.195 20.771 22.593 1.00 0.00 C ATOM 793 OE1 GLU A 252 45.872 21.333 23.626 1.00 0.00 O ATOM 794 OE2 GLU A 252 45.399 20.313 21.790 1.00 0.00 O ATOM 0 H GLU A 252 49.511 19.067 23.519 1.00 0.00 H new ATOM 0 HA GLU A 252 50.233 21.337 22.091 1.00 0.00 H new ATOM 0 HB2 GLU A 252 48.229 20.915 24.358 1.00 0.00 H new ATOM 0 HB3 GLU A 252 48.298 22.382 23.401 1.00 0.00 H new ATOM 0 HG2 GLU A 252 47.905 21.088 21.319 1.00 0.00 H new ATOM 0 HG3 GLU A 252 47.952 19.581 22.213 1.00 0.00 H new ATOM 801 N ASN A 253 51.440 21.311 25.051 1.00 0.00 N ATOM 802 CA ASN A 253 52.255 22.038 26.019 1.00 0.00 C ATOM 803 C ASN A 253 53.679 22.171 25.525 1.00 0.00 C ATOM 804 O ASN A 253 54.522 22.714 26.235 1.00 0.00 O ATOM 805 CB ASN A 253 52.260 21.303 27.359 1.00 0.00 C ATOM 806 CG ASN A 253 50.856 21.285 27.947 1.00 0.00 C ATOM 807 OD1 ASN A 253 50.508 20.374 28.698 1.00 0.00 O ATOM 808 ND2 ASN A 253 50.022 22.244 27.648 1.00 0.00 N ATOM 0 H ASN A 253 51.393 20.304 25.207 1.00 0.00 H new ATOM 0 HA ASN A 253 51.825 23.032 26.145 1.00 0.00 H new ATOM 0 HB2 ASN A 253 52.619 20.283 27.223 1.00 0.00 H new ATOM 0 HB3 ASN A 253 52.946 21.793 28.050 1.00 0.00 H new ATOM 0 HD21 ASN A 253 49.079 22.240 28.037 1.00 0.00 H new ATOM 0 HD22 ASN A 253 50.313 22.998 27.025 1.00 0.00 H new ATOM 815 N VAL A 254 53.937 21.673 24.310 1.00 0.00 N ATOM 816 CA VAL A 254 55.275 21.738 23.711 1.00 0.00 C ATOM 817 C VAL A 254 56.352 21.699 24.794 1.00 0.00 C ATOM 818 O VAL A 254 56.736 22.732 25.339 1.00 0.00 O ATOM 819 CB VAL A 254 55.415 23.026 22.884 1.00 0.00 C ATOM 820 CG1 VAL A 254 54.789 22.824 21.502 1.00 0.00 C ATOM 821 CG2 VAL A 254 54.701 24.177 23.600 1.00 0.00 C ATOM 0 H VAL A 254 53.237 21.221 23.722 1.00 0.00 H new ATOM 0 HA VAL A 254 55.405 20.874 23.060 1.00 0.00 H new ATOM 0 HB VAL A 254 56.472 23.265 22.772 1.00 0.00 H new ATOM 0 HG11 VAL A 254 54.891 23.740 20.919 1.00 0.00 H new ATOM 0 HG12 VAL A 254 55.297 22.008 20.988 1.00 0.00 H new ATOM 0 HG13 VAL A 254 53.732 22.580 21.613 1.00 0.00 H new ATOM 0 HG21 VAL A 254 54.801 25.089 23.012 1.00 0.00 H new ATOM 0 HG22 VAL A 254 53.645 23.934 23.716 1.00 0.00 H new ATOM 0 HG23 VAL A 254 55.148 24.328 24.583 1.00 0.00 H new ATOM 831 N LYS A 255 56.825 20.506 25.104 1.00 0.00 N ATOM 832 CA LYS A 255 57.848 20.351 26.131 1.00 0.00 C ATOM 833 C LYS A 255 57.392 20.990 27.435 1.00 0.00 C ATOM 834 O LYS A 255 57.403 22.211 27.579 1.00 0.00 O ATOM 835 CB LYS A 255 59.146 21.008 25.665 1.00 0.00 C ATOM 836 CG LYS A 255 59.550 20.467 24.287 1.00 0.00 C ATOM 837 CD LYS A 255 60.055 19.028 24.415 1.00 0.00 C ATOM 838 CE LYS A 255 60.580 18.553 23.066 1.00 0.00 C ATOM 839 NZ LYS A 255 61.153 17.185 23.220 1.00 0.00 N ATOM 0 H LYS A 255 56.523 19.636 24.666 1.00 0.00 H new ATOM 0 HA LYS A 255 58.017 19.288 26.301 1.00 0.00 H new ATOM 0 HB2 LYS A 255 59.017 22.089 25.616 1.00 0.00 H new ATOM 0 HB3 LYS A 255 59.940 20.814 26.387 1.00 0.00 H new ATOM 0 HG2 LYS A 255 58.697 20.502 23.609 1.00 0.00 H new ATOM 0 HG3 LYS A 255 60.327 21.096 23.854 1.00 0.00 H new ATOM 0 HD2 LYS A 255 60.845 18.974 25.164 1.00 0.00 H new ATOM 0 HD3 LYS A 255 59.249 18.377 24.753 1.00 0.00 H new ATOM 0 HE2 LYS A 255 59.775 18.543 22.331 1.00 0.00 H new ATOM 0 HE3 LYS A 255 61.341 19.240 22.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 61.514 16.854 22.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 61.932 17.210 23.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 60.414 16.535 23.556 1.00 0.00 H new ATOM 853 N ARG A 256 56.991 20.150 28.384 1.00 0.00 N ATOM 854 CA ARG A 256 56.532 20.635 29.679 1.00 0.00 C ATOM 855 C ARG A 256 57.718 20.993 30.569 1.00 0.00 C ATOM 856 O ARG A 256 57.545 21.566 31.644 1.00 0.00 O ATOM 857 CB ARG A 256 55.681 19.567 30.365 1.00 0.00 C ATOM 858 CG ARG A 256 54.384 19.366 29.577 1.00 0.00 C ATOM 859 CD ARG A 256 53.555 18.260 30.232 1.00 0.00 C ATOM 860 NE ARG A 256 54.225 16.974 30.084 1.00 0.00 N ATOM 861 CZ ARG A 256 53.724 15.870 30.630 1.00 0.00 C ATOM 862 NH1 ARG A 256 52.614 15.929 31.315 1.00 0.00 N ATOM 863 NH2 ARG A 256 54.342 14.731 30.484 1.00 0.00 N ATOM 0 H ARG A 256 56.975 19.135 28.281 1.00 0.00 H new ATOM 0 HA ARG A 256 55.931 21.530 29.518 1.00 0.00 H new ATOM 0 HB2 ARG A 256 56.233 18.629 30.423 1.00 0.00 H new ATOM 0 HB3 ARG A 256 55.455 19.868 31.388 1.00 0.00 H new ATOM 0 HG2 ARG A 256 53.814 20.295 29.551 1.00 0.00 H new ATOM 0 HG3 ARG A 256 54.611 19.102 28.544 1.00 0.00 H new ATOM 0 HD2 ARG A 256 53.409 18.483 31.289 1.00 0.00 H new ATOM 0 HD3 ARG A 256 52.566 18.218 29.775 1.00 0.00 H new ATOM 0 HE ARG A 256 55.094 16.920 29.552 1.00 0.00 H new ATOM 0 HH11 ARG A 256 52.133 16.821 31.430 1.00 0.00 H new ATOM 0 HH12 ARG A 256 52.228 15.083 31.735 1.00 0.00 H new ATOM 0 HH21 ARG A 256 55.210 14.687 29.951 1.00 0.00 H new ATOM 0 HH22 ARG A 256 53.957 13.885 30.903 1.00 0.00 H new ATOM 877 N SER A 257 58.918 20.648 30.112 1.00 0.00 N ATOM 878 CA SER A 257 60.129 20.934 30.876 1.00 0.00 C ATOM 879 C SER A 257 60.059 20.285 32.254 1.00 0.00 C ATOM 880 O SER A 257 59.591 20.897 33.216 1.00 0.00 O ATOM 881 CB SER A 257 60.307 22.445 31.029 1.00 0.00 C ATOM 882 OG SER A 257 60.274 23.054 29.746 1.00 0.00 O ATOM 0 H SER A 257 59.078 20.174 29.223 1.00 0.00 H new ATOM 0 HA SER A 257 60.982 20.522 30.336 1.00 0.00 H new ATOM 0 HB2 SER A 257 59.517 22.854 31.659 1.00 0.00 H new ATOM 0 HB3 SER A 257 61.254 22.663 31.523 1.00 0.00 H new ATOM 0 HG SER A 257 60.386 24.023 29.841 1.00 0.00 H new ATOM 888 N SER A 258 60.525 19.045 32.343 1.00 0.00 N ATOM 889 CA SER A 258 60.509 18.326 33.612 1.00 0.00 C ATOM 890 C SER A 258 61.613 18.832 34.529 1.00 0.00 C ATOM 891 O SER A 258 62.774 18.450 34.387 1.00 0.00 O ATOM 892 CB SER A 258 60.700 16.829 33.362 1.00 0.00 C ATOM 893 OG SER A 258 59.649 16.353 32.534 1.00 0.00 O ATOM 0 H SER A 258 60.915 18.520 31.560 1.00 0.00 H new ATOM 0 HA SER A 258 59.546 18.497 34.094 1.00 0.00 H new ATOM 0 HB2 SER A 258 61.664 16.648 32.886 1.00 0.00 H new ATOM 0 HB3 SER A 258 60.706 16.288 34.309 1.00 0.00 H new ATOM 0 HG SER A 258 59.770 15.394 32.371 1.00 0.00 H new ATOM 899 N VAL A 259 61.247 19.694 35.476 1.00 0.00 N ATOM 900 CA VAL A 259 62.220 20.245 36.420 1.00 0.00 C ATOM 901 C VAL A 259 61.601 20.395 37.804 1.00 0.00 C ATOM 902 O VAL A 259 62.294 20.292 38.817 1.00 0.00 O ATOM 903 CB VAL A 259 62.712 21.606 35.926 1.00 0.00 C ATOM 904 CG1 VAL A 259 61.552 22.604 35.932 1.00 0.00 C ATOM 905 CG2 VAL A 259 63.820 22.111 36.854 1.00 0.00 C ATOM 0 H VAL A 259 60.291 20.025 35.610 1.00 0.00 H new ATOM 0 HA VAL A 259 63.063 19.557 36.487 1.00 0.00 H new ATOM 0 HB VAL A 259 63.099 21.506 34.912 1.00 0.00 H new ATOM 0 HG11 VAL A 259 61.904 23.573 35.580 1.00 0.00 H new ATOM 0 HG12 VAL A 259 60.760 22.245 35.275 1.00 0.00 H new ATOM 0 HG13 VAL A 259 61.164 22.705 36.946 1.00 0.00 H new ATOM 0 HG21 VAL A 259 64.173 23.081 36.505 1.00 0.00 H new ATOM 0 HG22 VAL A 259 63.429 22.210 37.867 1.00 0.00 H new ATOM 0 HG23 VAL A 259 64.648 21.402 36.852 1.00 0.00 H new ATOM 915 N VAL A 260 60.296 20.642 37.842 1.00 0.00 N ATOM 916 CA VAL A 260 59.599 20.808 39.111 1.00 0.00 C ATOM 917 C VAL A 260 59.647 19.519 39.920 1.00 0.00 C ATOM 918 O VAL A 260 59.903 19.543 41.122 1.00 0.00 O ATOM 919 CB VAL A 260 58.143 21.204 38.861 1.00 0.00 C ATOM 920 CG1 VAL A 260 57.389 21.253 40.193 1.00 0.00 C ATOM 921 CG2 VAL A 260 58.098 22.582 38.199 1.00 0.00 C ATOM 0 H VAL A 260 59.704 20.731 37.016 1.00 0.00 H new ATOM 0 HA VAL A 260 60.096 21.596 39.676 1.00 0.00 H new ATOM 0 HB VAL A 260 57.674 20.469 38.207 1.00 0.00 H new ATOM 0 HG11 VAL A 260 56.352 21.535 40.014 1.00 0.00 H new ATOM 0 HG12 VAL A 260 57.421 20.271 40.666 1.00 0.00 H new ATOM 0 HG13 VAL A 260 57.857 21.987 40.849 1.00 0.00 H new ATOM 0 HG21 VAL A 260 57.061 22.866 38.020 1.00 0.00 H new ATOM 0 HG22 VAL A 260 58.567 23.316 38.854 1.00 0.00 H new ATOM 0 HG23 VAL A 260 58.634 22.548 37.250 1.00 0.00 H new ATOM 931 N VAL A 261 59.391 18.395 39.255 1.00 0.00 N ATOM 932 CA VAL A 261 59.402 17.092 39.922 1.00 0.00 C ATOM 933 C VAL A 261 60.228 16.093 39.125 1.00 0.00 C ATOM 934 O VAL A 261 60.128 16.023 37.900 1.00 0.00 O ATOM 935 CB VAL A 261 57.971 16.574 40.070 1.00 0.00 C ATOM 936 CG1 VAL A 261 57.347 16.388 38.688 1.00 0.00 C ATOM 937 CG2 VAL A 261 57.997 15.232 40.804 1.00 0.00 C ATOM 0 H VAL A 261 59.174 18.358 38.259 1.00 0.00 H new ATOM 0 HA VAL A 261 59.850 17.210 40.909 1.00 0.00 H new ATOM 0 HB VAL A 261 57.379 17.292 40.637 1.00 0.00 H new ATOM 0 HG11 VAL A 261 56.327 16.019 38.796 1.00 0.00 H new ATOM 0 HG12 VAL A 261 57.333 17.343 38.163 1.00 0.00 H new ATOM 0 HG13 VAL A 261 57.935 15.669 38.117 1.00 0.00 H new ATOM 0 HG21 VAL A 261 56.979 14.857 40.913 1.00 0.00 H new ATOM 0 HG22 VAL A 261 58.588 14.516 40.233 1.00 0.00 H new ATOM 0 HG23 VAL A 261 58.442 15.365 41.790 1.00 0.00 H new ATOM 947 N ALA A 262 61.048 15.319 39.830 1.00 0.00 N ATOM 948 CA ALA A 262 61.892 14.321 39.180 1.00 0.00 C ATOM 949 C ALA A 262 62.264 13.217 40.162 1.00 0.00 C ATOM 950 O ALA A 262 62.315 13.438 41.371 1.00 0.00 O ATOM 951 CB ALA A 262 63.164 14.982 38.644 1.00 0.00 C ATOM 0 H ALA A 262 61.146 15.363 40.844 1.00 0.00 H new ATOM 0 HA ALA A 262 61.335 13.883 38.352 1.00 0.00 H new ATOM 0 HB1 ALA A 262 63.788 14.231 38.160 1.00 0.00 H new ATOM 0 HB2 ALA A 262 62.897 15.752 37.920 1.00 0.00 H new ATOM 0 HB3 ALA A 262 63.714 15.435 39.469 1.00 0.00 H new ATOM 957 N ASN A 263 62.523 12.025 39.633 1.00 0.00 N ATOM 958 CA ASN A 263 62.890 10.893 40.473 1.00 0.00 C ATOM 959 C ASN A 263 63.435 9.750 39.622 1.00 0.00 C ATOM 960 O ASN A 263 64.157 10.031 38.680 1.00 0.00 O ATOM 961 CB ASN A 263 61.671 10.410 41.259 1.00 0.00 C ATOM 962 CG ASN A 263 60.613 9.871 40.303 1.00 0.00 C ATOM 963 OD1 ASN A 263 60.813 9.873 39.088 1.00 0.00 O ATOM 964 ND2 ASN A 263 59.492 9.406 40.781 1.00 0.00 N ATOM 965 OXT ASN A 263 63.121 8.609 39.926 1.00 0.00 O ATOM 0 H ASN A 263 62.486 11.820 38.635 1.00 0.00 H new ATOM 0 HA ASN A 263 63.665 11.216 41.168 1.00 0.00 H new ATOM 0 HB2 ASN A 263 61.967 9.632 41.963 1.00 0.00 H new ATOM 0 HB3 ASN A 263 61.258 11.231 41.846 1.00 0.00 H new ATOM 0 HD21 ASN A 263 58.779 9.043 40.148 1.00 0.00 H new ATOM 0 HD22 ASN A 263 59.328 9.405 41.788 1.00 0.00 H new TER 972 ASN A 263