USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 572 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 290 THR OG1 : rot 180:sc= 0.014 USER MOD Set 1.2: A 291 HIS : no HD1:sc= -0.273 X(o=-0.26,f=-0.73) USER MOD Set 2.1: A 280 CYS SG : rot 91:sc= 0.611 USER MOD Set 2.2: A 281 ASN : amide:sc=-0.000581 X(o=0.61,f=0.61) USER MOD Set 3.1: A 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 273 SER OG : rot 180:sc= -0.642 USER MOD Single : A 228 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.42) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 233 ASN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 235 GLN : amide:sc= -0.232 K(o=-0.23,f=-4.4!) USER MOD Single : A 236 ASN : amide:sc= -1.72! C(o=-1.7!,f=-2.2!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ -112:sc= -1.09 (180deg=-5.65!) USER MOD Single : A 250 ASN : amide:sc= -2.35! C(o=-2.3!,f=-2.6!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ -158:sc= 0.969 (180deg=0.596) USER MOD Single : A 255 THR OG1 : rot 150:sc= -0.735 USER MOD Single : A 266 LYS NZ :NH3+ 142:sc= 0.398 (180deg=-2.12) USER MOD Single : A 268 THR OG1 : rot 180:sc= 0 USER MOD Single : A 269 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00762) USER MOD Single : A 271 ASN : amide:sc= -3.04! C(o=-3!,f=-8.2!) USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 283 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00755) USER MOD Single : A 286 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-2.6) USER MOD Single : A 297 GLN : amide:sc= -1.81! C(o=-1.8!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 227 -11.755 1.118 2.689 1.00 1.37 N ATOM 98 CA ILE A 227 -11.151 -0.141 3.096 1.00 1.12 C ATOM 99 C ILE A 227 -10.982 -0.197 4.617 1.00 1.27 C ATOM 100 O ILE A 227 -10.139 0.495 5.197 1.00 1.47 O ATOM 101 CB ILE A 227 -9.770 -0.364 2.392 1.00 0.97 C ATOM 102 CG1 ILE A 227 -9.964 -0.847 0.947 1.00 1.20 C ATOM 103 CG2 ILE A 227 -8.899 -1.352 3.157 1.00 1.14 C ATOM 104 CD1 ILE A 227 -10.096 0.267 -0.060 1.00 1.47 C ATOM 0 HA ILE A 227 -11.824 -0.942 2.788 1.00 1.12 H new ATOM 0 HB ILE A 227 -9.258 0.598 2.379 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -9.119 -1.476 0.669 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -10.856 -1.472 0.901 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -7.950 -1.479 2.636 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.714 -0.972 4.162 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -9.409 -2.313 3.221 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -10.230 -0.156 -1.055 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -10.959 0.884 0.191 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -9.195 0.880 -0.045 1.00 1.47 H new ATOM 116 N ASN A 228 -11.838 -0.980 5.254 1.00 1.52 N ATOM 117 CA ASN A 228 -11.725 -1.244 6.685 1.00 1.82 C ATOM 118 C ASN A 228 -11.898 -2.739 6.976 1.00 1.80 C ATOM 119 O ASN A 228 -12.960 -3.315 6.736 1.00 2.07 O ATOM 120 CB ASN A 228 -12.741 -0.399 7.481 1.00 2.42 C ATOM 121 CG ASN A 228 -14.196 -0.788 7.249 1.00 3.09 C ATOM 122 OD1 ASN A 228 -14.774 -1.560 8.012 1.00 3.44 O ATOM 123 ND2 ASN A 228 -14.795 -0.262 6.190 1.00 3.83 N ATOM 0 H ASN A 228 -12.624 -1.448 4.802 1.00 1.52 H new ATOM 0 HA ASN A 228 -10.725 -0.954 7.008 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -12.518 -0.489 8.544 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -12.611 0.650 7.216 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -15.767 -0.494 5.986 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -14.284 0.375 5.579 1.00 3.83 H new ATOM 130 N THR A 229 -10.818 -3.367 7.441 1.00 1.66 N ATOM 131 CA THR A 229 -10.828 -4.782 7.839 1.00 1.67 C ATOM 132 C THR A 229 -11.343 -5.716 6.720 1.00 1.68 C ATOM 133 O THR A 229 -12.123 -6.636 6.979 1.00 2.22 O ATOM 134 CB THR A 229 -11.719 -4.958 9.081 1.00 1.80 C ATOM 135 OG1 THR A 229 -11.511 -3.859 9.979 1.00 1.91 O ATOM 136 CG2 THR A 229 -11.416 -6.261 9.812 1.00 1.88 C ATOM 0 H THR A 229 -9.911 -2.914 7.554 1.00 1.66 H new ATOM 0 HA THR A 229 -9.796 -5.060 8.053 1.00 1.67 H new ATOM 0 HB THR A 229 -12.756 -4.987 8.746 1.00 1.80 H new ATOM 0 HG1 THR A 229 -12.080 -3.970 10.769 1.00 1.91 H new ATOM 0 HG21 THR A 229 -12.065 -6.349 10.683 1.00 1.88 H new ATOM 0 HG22 THR A 229 -11.591 -7.103 9.142 1.00 1.88 H new ATOM 0 HG23 THR A 229 -10.375 -6.264 10.134 1.00 1.88 H new ATOM 144 N PRO A 230 -10.919 -5.519 5.462 1.00 1.34 N ATOM 145 CA PRO A 230 -11.452 -6.252 4.336 1.00 1.46 C ATOM 146 C PRO A 230 -10.507 -7.323 3.787 1.00 1.44 C ATOM 147 O PRO A 230 -9.289 -7.267 3.982 1.00 1.32 O ATOM 148 CB PRO A 230 -11.617 -5.110 3.355 1.00 1.46 C ATOM 149 CG PRO A 230 -10.402 -4.263 3.575 1.00 1.48 C ATOM 150 CD PRO A 230 -9.929 -4.544 4.987 1.00 1.35 C ATOM 0 HA PRO A 230 -12.349 -6.826 4.569 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -11.671 -5.471 2.328 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -12.533 -4.550 3.545 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -9.624 -4.505 2.850 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -10.638 -3.206 3.448 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -8.918 -4.951 5.004 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -9.920 -3.642 5.600 1.00 1.35 H new ATOM 158 N LEU A 231 -11.085 -8.310 3.123 1.00 1.78 N ATOM 159 CA LEU A 231 -10.306 -9.325 2.429 1.00 1.82 C ATOM 160 C LEU A 231 -9.692 -8.717 1.169 1.00 1.52 C ATOM 161 O LEU A 231 -10.279 -7.807 0.580 1.00 1.52 O ATOM 162 CB LEU A 231 -11.194 -10.522 2.070 1.00 2.34 C ATOM 163 CG LEU A 231 -11.946 -11.152 3.245 1.00 2.79 C ATOM 164 CD1 LEU A 231 -12.804 -12.310 2.766 1.00 3.30 C ATOM 165 CD2 LEU A 231 -10.972 -11.609 4.322 1.00 3.42 C ATOM 0 H LEU A 231 -12.095 -8.431 3.049 1.00 1.78 H new ATOM 0 HA LEU A 231 -9.507 -9.678 3.082 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -11.921 -10.203 1.323 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -10.573 -11.288 1.604 1.00 2.34 H new ATOM 0 HG LEU A 231 -12.602 -10.398 3.680 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -13.332 -12.747 3.614 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -13.527 -11.949 2.035 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -12.169 -13.067 2.305 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -11.526 -12.054 5.149 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -10.288 -12.348 3.904 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -10.404 -10.753 4.685 1.00 3.42 H new ATOM 177 N PRO A 232 -8.513 -9.210 0.736 1.00 1.40 N ATOM 178 CA PRO A 232 -7.774 -8.627 -0.398 1.00 1.28 C ATOM 179 C PRO A 232 -8.633 -8.482 -1.653 1.00 1.55 C ATOM 180 O PRO A 232 -9.240 -9.455 -2.108 1.00 1.84 O ATOM 181 CB PRO A 232 -6.652 -9.640 -0.641 1.00 1.40 C ATOM 182 CG PRO A 232 -6.448 -10.302 0.677 1.00 1.45 C ATOM 183 CD PRO A 232 -7.805 -10.364 1.319 1.00 1.54 C ATOM 0 HA PRO A 232 -7.427 -7.618 -0.177 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -6.930 -10.363 -1.408 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -5.741 -9.148 -0.982 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -6.029 -11.300 0.552 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -5.749 -9.737 1.294 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -8.313 -11.302 1.095 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -7.740 -10.289 2.404 1.00 1.54 H new ATOM 191 N ASN A 233 -8.663 -7.257 -2.200 1.00 1.58 N ATOM 192 CA ASN A 233 -9.488 -6.919 -3.365 1.00 2.01 C ATOM 193 C ASN A 233 -10.972 -7.053 -3.017 1.00 1.76 C ATOM 194 O ASN A 233 -11.526 -8.151 -3.065 1.00 2.31 O ATOM 195 CB ASN A 233 -9.139 -7.823 -4.555 1.00 2.67 C ATOM 196 CG ASN A 233 -9.670 -7.300 -5.873 1.00 3.38 C ATOM 197 OD1 ASN A 233 -10.829 -7.518 -6.226 1.00 3.96 O ATOM 198 ND2 ASN A 233 -8.809 -6.636 -6.630 1.00 3.82 N ATOM 0 H ASN A 233 -8.115 -6.474 -1.845 1.00 1.58 H new ATOM 0 HA ASN A 233 -9.283 -5.886 -3.645 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -8.056 -7.925 -4.621 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -9.543 -8.820 -4.377 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -9.098 -6.284 -7.543 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -7.857 -6.477 -6.300 1.00 3.82 H new ATOM 205 N LEU A 234 -11.636 -5.945 -2.680 1.00 1.61 N ATOM 206 CA LEU A 234 -12.961 -6.024 -2.128 1.00 1.90 C ATOM 207 C LEU A 234 -13.865 -5.234 -3.017 1.00 1.69 C ATOM 208 O LEU A 234 -14.721 -5.754 -3.730 1.00 1.91 O ATOM 209 CB LEU A 234 -12.957 -5.372 -0.737 1.00 2.77 C ATOM 210 CG LEU A 234 -14.172 -5.601 0.184 1.00 3.77 C ATOM 211 CD1 LEU A 234 -14.264 -4.458 1.175 1.00 4.30 C ATOM 212 CD2 LEU A 234 -15.482 -5.718 -0.580 1.00 4.49 C ATOM 0 H LEU A 234 -11.270 -4.999 -2.784 1.00 1.61 H new ATOM 0 HA LEU A 234 -13.289 -7.061 -2.052 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -12.070 -5.722 -0.209 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -12.843 -4.297 -0.875 1.00 2.77 H new ATOM 0 HG LEU A 234 -14.018 -6.551 0.697 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -15.121 -4.613 1.830 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -13.353 -4.420 1.772 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -14.384 -3.518 0.636 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -16.300 -5.878 0.123 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -15.660 -4.800 -1.140 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -15.427 -6.560 -1.270 1.00 4.49 H new ATOM 224 N GLN A 235 -13.607 -3.964 -2.968 1.00 1.58 N ATOM 225 CA GLN A 235 -14.468 -2.985 -3.494 1.00 1.78 C ATOM 226 C GLN A 235 -14.060 -2.602 -4.897 1.00 1.59 C ATOM 227 O GLN A 235 -14.555 -3.162 -5.870 1.00 1.97 O ATOM 228 CB GLN A 235 -14.418 -1.820 -2.538 1.00 2.17 C ATOM 229 CG GLN A 235 -13.093 -1.622 -1.823 1.00 2.56 C ATOM 230 CD GLN A 235 -13.260 -0.811 -0.553 1.00 3.18 C ATOM 231 OE1 GLN A 235 -13.467 -1.370 0.523 1.00 3.71 O ATOM 232 NE2 GLN A 235 -13.184 0.502 -0.664 1.00 3.72 N ATOM 0 H GLN A 235 -12.761 -3.582 -2.545 1.00 1.58 H new ATOM 0 HA GLN A 235 -15.490 -3.353 -3.583 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -14.654 -0.909 -3.089 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -15.199 -1.952 -1.790 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -12.661 -2.593 -1.581 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -12.392 -1.118 -2.488 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -13.011 0.928 -1.575 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -13.298 1.091 0.161 1.00 3.72 H new ATOM 241 N ASN A 236 -13.139 -1.676 -5.011 1.00 1.40 N ATOM 242 CA ASN A 236 -12.578 -1.391 -6.318 1.00 1.65 C ATOM 243 C ASN A 236 -11.518 -2.441 -6.575 1.00 1.69 C ATOM 244 O ASN A 236 -11.397 -2.987 -7.673 1.00 2.36 O ATOM 245 CB ASN A 236 -11.995 0.023 -6.401 1.00 2.09 C ATOM 246 CG ASN A 236 -11.658 0.444 -7.822 1.00 2.95 C ATOM 247 OD1 ASN A 236 -10.728 1.214 -8.052 1.00 3.67 O ATOM 248 ND2 ASN A 236 -12.426 -0.038 -8.791 1.00 3.34 N ATOM 0 H ASN A 236 -12.768 -1.119 -4.242 1.00 1.40 H new ATOM 0 HA ASN A 236 -13.358 -1.428 -7.079 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -12.709 0.730 -5.978 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -11.094 0.075 -5.789 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -12.252 0.229 -9.760 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -13.190 -0.675 -8.567 1.00 3.34 H new ATOM 255 N GLY A 237 -10.773 -2.732 -5.519 1.00 1.32 N ATOM 256 CA GLY A 237 -9.892 -3.873 -5.505 1.00 1.67 C ATOM 257 C GLY A 237 -8.546 -3.503 -4.943 1.00 1.38 C ATOM 258 O GLY A 237 -8.138 -4.020 -3.903 1.00 1.70 O ATOM 0 H GLY A 237 -10.767 -2.185 -4.658 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -10.333 -4.671 -4.908 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -9.774 -4.260 -6.517 1.00 1.67 H new ATOM 262 N PRO A 238 -7.838 -2.605 -5.626 1.00 0.90 N ATOM 263 CA PRO A 238 -6.609 -2.022 -5.157 1.00 0.65 C ATOM 264 C PRO A 238 -6.847 -0.640 -4.602 1.00 0.50 C ATOM 265 O PRO A 238 -7.927 -0.073 -4.750 1.00 0.76 O ATOM 266 CB PRO A 238 -5.810 -1.900 -6.438 1.00 0.65 C ATOM 267 CG PRO A 238 -6.838 -1.551 -7.465 1.00 0.96 C ATOM 268 CD PRO A 238 -8.167 -2.066 -6.955 1.00 0.88 C ATOM 0 HA PRO A 238 -6.133 -2.603 -4.367 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.044 -1.129 -6.360 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.300 -2.832 -6.682 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -6.877 -0.473 -7.621 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -6.592 -2.003 -8.426 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -8.909 -1.270 -6.893 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.578 -2.835 -7.610 1.00 0.88 H new ATOM 276 N PHE A 239 -5.860 -0.124 -3.938 1.00 0.37 N ATOM 277 CA PHE A 239 -5.818 1.290 -3.685 1.00 0.28 C ATOM 278 C PHE A 239 -4.439 1.801 -3.989 1.00 0.27 C ATOM 279 O PHE A 239 -3.589 1.069 -4.485 1.00 0.51 O ATOM 280 CB PHE A 239 -6.221 1.631 -2.242 1.00 0.34 C ATOM 281 CG PHE A 239 -5.853 0.573 -1.259 1.00 0.41 C ATOM 282 CD1 PHE A 239 -4.535 0.312 -0.932 1.00 0.35 C ATOM 283 CD2 PHE A 239 -6.843 -0.162 -0.664 1.00 0.90 C ATOM 284 CE1 PHE A 239 -4.225 -0.670 -0.017 1.00 0.35 C ATOM 285 CE2 PHE A 239 -6.543 -1.143 0.250 1.00 1.09 C ATOM 286 CZ PHE A 239 -5.230 -1.399 0.573 1.00 0.73 C ATOM 0 H PHE A 239 -5.074 -0.654 -3.561 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.544 1.779 -4.335 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.745 2.568 -1.952 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.298 1.795 -2.202 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -3.744 0.882 -1.397 1.00 0.35 H new ATOM 0 HD2 PHE A 239 -7.875 0.032 -0.917 1.00 0.90 H new ATOM 0 HE1 PHE A 239 -3.194 -0.867 0.236 1.00 0.35 H new ATOM 0 HE2 PHE A 239 -7.335 -1.712 0.714 1.00 1.09 H new ATOM 0 HZ PHE A 239 -4.990 -2.171 1.289 1.00 0.73 H new ATOM 296 N TYR A 240 -4.230 3.050 -3.709 1.00 0.16 N ATOM 297 CA TYR A 240 -2.929 3.639 -3.822 1.00 0.21 C ATOM 298 C TYR A 240 -2.563 4.119 -2.451 1.00 0.21 C ATOM 299 O TYR A 240 -3.435 4.271 -1.613 1.00 0.36 O ATOM 300 CB TYR A 240 -2.927 4.795 -4.830 1.00 0.25 C ATOM 301 CG TYR A 240 -3.462 4.410 -6.189 1.00 0.25 C ATOM 302 CD1 TYR A 240 -2.889 3.374 -6.906 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.537 5.082 -6.751 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.374 3.010 -8.147 1.00 0.38 C ATOM 305 CE2 TYR A 240 -5.030 4.726 -7.991 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.444 3.690 -8.685 1.00 0.45 C ATOM 307 OH TYR A 240 -4.933 3.328 -9.920 1.00 0.59 O ATOM 0 H TYR A 240 -4.957 3.692 -3.395 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.204 2.913 -4.191 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.525 5.615 -4.432 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.909 5.168 -4.941 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.048 2.841 -6.488 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -4.996 5.897 -6.210 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -2.917 2.197 -8.692 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.870 5.257 -8.414 1.00 0.46 H new ATOM 0 HH TYR A 240 -5.689 3.906 -10.155 1.00 0.59 H new ATOM 317 N ALA A 241 -1.303 4.297 -2.184 1.00 0.17 N ATOM 318 CA ALA A 241 -0.907 4.887 -0.928 1.00 0.19 C ATOM 319 C ALA A 241 0.342 5.708 -1.130 1.00 0.15 C ATOM 320 O ALA A 241 1.370 5.187 -1.573 1.00 0.19 O ATOM 321 CB ALA A 241 -0.692 3.830 0.146 1.00 0.35 C ATOM 0 H ALA A 241 -0.535 4.047 -2.807 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.712 5.535 -0.582 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.395 4.313 1.077 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.618 3.277 0.303 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.091 3.142 -0.172 1.00 0.35 H new ATOM 327 N ARG A 242 0.252 6.989 -0.838 1.00 0.16 N ATOM 328 CA ARG A 242 1.398 7.848 -0.937 1.00 0.16 C ATOM 329 C ARG A 242 2.287 7.633 0.257 1.00 0.14 C ATOM 330 O ARG A 242 1.919 7.900 1.402 1.00 0.23 O ATOM 331 CB ARG A 242 1.020 9.325 -1.042 1.00 0.29 C ATOM 332 CG ARG A 242 2.224 10.236 -0.847 1.00 0.33 C ATOM 333 CD ARG A 242 2.278 11.351 -1.869 1.00 0.79 C ATOM 334 NE ARG A 242 1.151 12.275 -1.740 1.00 1.19 N ATOM 335 CZ ARG A 242 0.770 13.127 -2.693 1.00 1.66 C ATOM 336 NH1 ARG A 242 1.385 13.135 -3.869 1.00 1.90 N ATOM 337 NH2 ARG A 242 -0.237 13.965 -2.478 1.00 2.05 N ATOM 0 H ARG A 242 -0.604 7.451 -0.531 1.00 0.16 H new ATOM 0 HA ARG A 242 1.924 7.588 -1.856 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.574 9.517 -2.018 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.263 9.560 -0.294 1.00 0.29 H new ATOM 0 HG2 ARG A 242 2.192 10.666 0.154 1.00 0.33 H new ATOM 0 HG3 ARG A 242 3.137 9.645 -0.911 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.212 11.902 -1.754 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.281 10.923 -2.871 1.00 0.79 H new ATOM 0 HE ARG A 242 0.624 12.267 -0.867 1.00 1.19 H new ATOM 0 HH11 ARG A 242 2.153 12.488 -4.047 1.00 1.90 H new ATOM 0 HH12 ARG A 242 1.090 13.788 -4.594 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.723 13.959 -1.581 1.00 2.05 H new ATOM 0 HH22 ARG A 242 -0.525 14.615 -3.210 1.00 2.05 H new ATOM 351 N VAL A 243 3.444 7.112 -0.027 1.00 0.10 N ATOM 352 CA VAL A 243 4.439 6.889 0.977 1.00 0.14 C ATOM 353 C VAL A 243 5.101 8.202 1.346 1.00 0.11 C ATOM 354 O VAL A 243 5.810 8.803 0.538 1.00 0.15 O ATOM 355 CB VAL A 243 5.487 5.875 0.486 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.967 6.206 -0.915 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.646 5.820 1.452 1.00 0.32 C ATOM 0 H VAL A 243 3.724 6.829 -0.966 1.00 0.10 H new ATOM 0 HA VAL A 243 3.957 6.475 1.863 1.00 0.14 H new ATOM 0 HB VAL A 243 5.016 4.893 0.444 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.706 5.469 -1.230 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.122 6.189 -1.603 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.418 7.198 -0.920 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.382 5.100 1.096 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.107 6.805 1.524 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.286 5.516 2.435 1.00 0.32 H new ATOM 367 N ILE A 244 4.848 8.676 2.553 1.00 0.13 N ATOM 368 CA ILE A 244 5.467 9.923 2.964 1.00 0.15 C ATOM 369 C ILE A 244 6.811 9.666 3.624 1.00 0.14 C ATOM 370 O ILE A 244 7.601 10.587 3.769 1.00 0.20 O ATOM 371 CB ILE A 244 4.595 10.809 3.889 1.00 0.25 C ATOM 372 CG1 ILE A 244 4.266 10.109 5.213 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.323 11.234 3.166 1.00 0.32 C ATOM 374 CD1 ILE A 244 3.131 9.122 5.121 1.00 0.76 C ATOM 0 H ILE A 244 4.241 8.235 3.244 1.00 0.13 H new ATOM 0 HA ILE A 244 5.596 10.487 2.040 1.00 0.15 H new ATOM 0 HB ILE A 244 5.173 11.699 4.136 1.00 0.25 H new ATOM 0 HG12 ILE A 244 5.156 9.591 5.569 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.017 10.864 5.959 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.719 11.856 3.827 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.584 11.801 2.273 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.754 10.349 2.880 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.961 8.671 6.098 1.00 0.76 H new ATOM 0 HD12 ILE A 244 2.227 9.637 4.797 1.00 0.76 H new ATOM 0 HD13 ILE A 244 3.383 8.344 4.401 1.00 0.76 H new ATOM 386 N GLN A 245 7.059 8.415 4.029 1.00 0.12 N ATOM 387 CA GLN A 245 8.370 8.010 4.554 1.00 0.14 C ATOM 388 C GLN A 245 8.619 6.523 4.366 1.00 0.14 C ATOM 389 O GLN A 245 7.965 5.687 4.989 1.00 0.17 O ATOM 390 CB GLN A 245 8.515 8.373 6.030 1.00 0.21 C ATOM 391 CG GLN A 245 8.662 9.859 6.249 1.00 0.33 C ATOM 392 CD GLN A 245 8.883 10.226 7.702 1.00 0.54 C ATOM 393 OE1 GLN A 245 10.020 10.302 8.170 1.00 1.19 O ATOM 394 NE2 GLN A 245 7.802 10.467 8.425 1.00 1.06 N ATOM 0 H GLN A 245 6.369 7.664 4.004 1.00 0.12 H new ATOM 0 HA GLN A 245 9.117 8.559 3.981 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.643 8.013 6.576 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.384 7.861 6.443 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.500 10.227 5.656 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.768 10.364 5.885 1.00 0.33 H new ATOM 0 HE21 GLN A 245 6.878 10.393 8.000 1.00 1.06 H new ATOM 0 HE22 GLN A 245 7.893 10.727 9.407 1.00 1.06 H new ATOM 403 N LYS A 246 9.530 6.200 3.464 1.00 0.15 N ATOM 404 CA LYS A 246 9.965 4.828 3.274 1.00 0.16 C ATOM 405 C LYS A 246 11.477 4.756 3.160 1.00 0.22 C ATOM 406 O LYS A 246 12.159 5.775 3.017 1.00 0.29 O ATOM 407 CB LYS A 246 9.333 4.195 2.036 1.00 0.18 C ATOM 408 CG LYS A 246 8.744 2.812 2.288 1.00 0.20 C ATOM 409 CD LYS A 246 7.423 2.889 3.051 1.00 0.29 C ATOM 410 CE LYS A 246 6.366 1.979 2.447 1.00 0.28 C ATOM 411 NZ LYS A 246 5.870 2.487 1.140 1.00 0.36 N ATOM 0 H LYS A 246 9.985 6.874 2.849 1.00 0.15 H new ATOM 0 HA LYS A 246 9.637 4.268 4.150 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.547 4.852 1.664 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.086 4.122 1.251 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.585 2.306 1.336 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.456 2.211 2.854 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.588 2.612 4.092 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.061 3.917 3.048 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.782 0.980 2.313 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.530 1.886 3.140 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 4.879 2.787 1.238 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.449 3.297 0.840 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 5.935 1.733 0.427 1.00 0.36 H new ATOM 425 N ARG A 247 11.977 3.543 3.237 1.00 0.27 N ATOM 426 CA ARG A 247 13.374 3.247 2.999 1.00 0.37 C ATOM 427 C ARG A 247 13.496 2.895 1.529 1.00 0.27 C ATOM 428 O ARG A 247 12.477 2.618 0.902 1.00 0.21 O ATOM 429 CB ARG A 247 13.786 2.058 3.884 1.00 0.55 C ATOM 430 CG ARG A 247 15.159 1.472 3.596 1.00 0.69 C ATOM 431 CD ARG A 247 15.351 0.173 4.365 1.00 0.72 C ATOM 432 NE ARG A 247 16.597 -0.513 4.017 1.00 1.24 N ATOM 433 CZ ARG A 247 16.753 -1.836 4.064 1.00 1.29 C ATOM 434 NH1 ARG A 247 15.724 -2.613 4.388 1.00 1.33 N ATOM 435 NH2 ARG A 247 17.931 -2.382 3.779 1.00 2.10 N ATOM 0 H ARG A 247 11.418 2.722 3.470 1.00 0.27 H new ATOM 0 HA ARG A 247 14.023 4.089 3.241 1.00 0.37 H new ATOM 0 HB2 ARG A 247 13.757 2.376 4.926 1.00 0.55 H new ATOM 0 HB3 ARG A 247 13.043 1.269 3.771 1.00 0.55 H new ATOM 0 HG2 ARG A 247 15.267 1.289 2.527 1.00 0.69 H new ATOM 0 HG3 ARG A 247 15.933 2.186 3.877 1.00 0.69 H new ATOM 0 HD2 ARG A 247 15.344 0.385 5.434 1.00 0.72 H new ATOM 0 HD3 ARG A 247 14.509 -0.490 4.166 1.00 0.72 H new ATOM 0 HE ARG A 247 17.392 0.054 3.722 1.00 1.24 H new ATOM 0 HH11 ARG A 247 14.817 -2.197 4.600 1.00 1.33 H new ATOM 0 HH12 ARG A 247 15.841 -3.626 4.425 1.00 1.33 H new ATOM 0 HH21 ARG A 247 18.720 -1.788 3.523 1.00 2.10 H new ATOM 0 HH22 ARG A 247 18.046 -3.395 3.816 1.00 2.10 H new ATOM 449 N VAL A 248 14.690 2.923 0.959 1.00 0.32 N ATOM 450 CA VAL A 248 14.851 2.432 -0.396 1.00 0.31 C ATOM 451 C VAL A 248 15.495 1.036 -0.364 1.00 0.26 C ATOM 452 O VAL A 248 16.714 0.868 -0.365 1.00 0.30 O ATOM 453 CB VAL A 248 15.647 3.441 -1.262 1.00 0.45 C ATOM 454 CG1 VAL A 248 17.069 3.646 -0.756 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.633 3.035 -2.727 1.00 1.18 C ATOM 0 H VAL A 248 15.541 3.271 1.401 1.00 0.32 H new ATOM 0 HA VAL A 248 13.873 2.335 -0.868 1.00 0.31 H new ATOM 0 HB VAL A 248 15.143 4.403 -1.173 1.00 0.45 H new ATOM 0 HG11 VAL A 248 17.584 4.362 -1.397 1.00 1.12 H new ATOM 0 HG12 VAL A 248 17.041 4.028 0.264 1.00 1.12 H new ATOM 0 HG13 VAL A 248 17.602 2.695 -0.773 1.00 1.12 H new ATOM 0 HG21 VAL A 248 16.199 3.761 -3.311 1.00 1.18 H new ATOM 0 HG22 VAL A 248 16.086 2.049 -2.836 1.00 1.18 H new ATOM 0 HG23 VAL A 248 14.604 3.003 -3.086 1.00 1.18 H new ATOM 465 N PRO A 249 14.641 0.012 -0.268 1.00 0.20 N ATOM 466 CA PRO A 249 15.018 -1.377 -0.157 1.00 0.20 C ATOM 467 C PRO A 249 14.843 -2.156 -1.447 1.00 0.27 C ATOM 468 O PRO A 249 14.330 -1.645 -2.439 1.00 0.34 O ATOM 469 CB PRO A 249 14.033 -1.874 0.911 1.00 0.21 C ATOM 470 CG PRO A 249 12.880 -0.900 0.881 1.00 0.23 C ATOM 471 CD PRO A 249 13.198 0.114 -0.185 1.00 0.22 C ATOM 0 HA PRO A 249 16.073 -1.507 0.083 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.696 -2.888 0.693 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.501 -1.898 1.895 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.945 -1.414 0.659 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.756 -0.417 1.850 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.716 -0.124 -1.133 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.874 1.117 0.094 1.00 0.22 H new ATOM 479 N ASN A 250 15.320 -3.383 -1.445 1.00 0.31 N ATOM 480 CA ASN A 250 15.052 -4.279 -2.546 1.00 0.39 C ATOM 481 C ASN A 250 14.120 -5.401 -2.133 1.00 0.36 C ATOM 482 O ASN A 250 13.897 -5.652 -0.949 1.00 0.35 O ATOM 483 CB ASN A 250 16.333 -4.842 -3.174 1.00 0.51 C ATOM 484 CG ASN A 250 17.010 -5.977 -2.406 1.00 1.13 C ATOM 485 OD1 ASN A 250 17.604 -6.859 -3.020 1.00 1.97 O ATOM 486 ND2 ASN A 250 16.956 -5.970 -1.083 1.00 1.56 N ATOM 0 H ASN A 250 15.891 -3.779 -0.698 1.00 0.31 H new ATOM 0 HA ASN A 250 14.555 -3.683 -3.311 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.097 -5.198 -4.177 1.00 0.51 H new ATOM 0 HB3 ASN A 250 17.048 -4.027 -3.285 1.00 0.51 H new ATOM 0 HD21 ASN A 250 17.415 -6.709 -0.550 1.00 1.56 H new ATOM 0 HD22 ASN A 250 16.456 -5.226 -0.597 1.00 1.56 H new ATOM 493 N ALA A 251 13.607 -6.073 -3.138 1.00 0.43 N ATOM 494 CA ALA A 251 12.617 -7.126 -2.966 1.00 0.48 C ATOM 495 C ALA A 251 13.224 -8.390 -2.361 1.00 0.53 C ATOM 496 O ALA A 251 12.503 -9.305 -1.973 1.00 0.60 O ATOM 497 CB ALA A 251 11.955 -7.442 -4.298 1.00 0.59 C ATOM 0 H ALA A 251 13.864 -5.906 -4.111 1.00 0.43 H new ATOM 0 HA ALA A 251 11.865 -6.761 -2.266 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.216 -8.231 -4.159 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.463 -6.548 -4.681 1.00 0.59 H new ATOM 0 HB3 ALA A 251 12.711 -7.774 -5.010 1.00 0.59 H new ATOM 503 N TYR A 252 14.548 -8.454 -2.303 1.00 0.54 N ATOM 504 CA TYR A 252 15.214 -9.573 -1.657 1.00 0.65 C ATOM 505 C TYR A 252 15.202 -9.374 -0.143 1.00 0.60 C ATOM 506 O TYR A 252 15.372 -10.316 0.632 1.00 0.69 O ATOM 507 CB TYR A 252 16.647 -9.728 -2.177 1.00 0.77 C ATOM 508 CG TYR A 252 17.332 -10.981 -1.687 1.00 1.63 C ATOM 509 CD1 TYR A 252 16.674 -12.204 -1.671 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.641 -10.935 -1.235 1.00 2.46 C ATOM 511 CE1 TYR A 252 17.308 -13.346 -1.224 1.00 2.83 C ATOM 512 CE2 TYR A 252 19.284 -12.072 -0.787 1.00 3.46 C ATOM 513 CZ TYR A 252 18.572 -13.301 -0.790 1.00 3.61 C ATOM 514 OH TYR A 252 19.252 -14.413 -0.341 1.00 4.61 O ATOM 0 H TYR A 252 15.175 -7.750 -2.692 1.00 0.54 H new ATOM 0 HA TYR A 252 14.675 -10.490 -1.895 1.00 0.65 H new ATOM 0 HB2 TYR A 252 16.631 -9.734 -3.267 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.232 -8.860 -1.872 1.00 0.77 H new ATOM 0 HD1 TYR A 252 15.651 -12.262 -2.013 1.00 1.89 H new ATOM 0 HD2 TYR A 252 19.168 -9.992 -1.233 1.00 2.46 H new ATOM 0 HE1 TYR A 252 16.777 -14.286 -1.225 1.00 2.83 H new ATOM 0 HE2 TYR A 252 20.306 -12.028 -0.442 1.00 3.46 H new ATOM 0 HH TYR A 252 20.159 -14.156 -0.073 1.00 4.61 H new ATOM 524 N ASP A 253 14.987 -8.134 0.257 1.00 0.50 N ATOM 525 CA ASP A 253 14.847 -7.771 1.659 1.00 0.51 C ATOM 526 C ASP A 253 13.428 -8.024 2.092 1.00 0.48 C ATOM 527 O ASP A 253 12.575 -7.144 1.968 1.00 0.43 O ATOM 528 CB ASP A 253 15.184 -6.299 1.850 1.00 0.49 C ATOM 529 CG ASP A 253 15.229 -5.879 3.310 1.00 0.79 C ATOM 530 OD1 ASP A 253 16.105 -6.374 4.050 1.00 0.85 O ATOM 531 OD2 ASP A 253 14.401 -5.047 3.729 1.00 1.32 O ATOM 0 H ASP A 253 14.904 -7.345 -0.384 1.00 0.50 H new ATOM 0 HA ASP A 253 15.530 -8.371 2.260 1.00 0.51 H new ATOM 0 HB2 ASP A 253 16.150 -6.091 1.389 1.00 0.49 H new ATOM 0 HB3 ASP A 253 14.444 -5.693 1.327 1.00 0.49 H new ATOM 536 N LYS A 254 13.173 -9.224 2.604 1.00 0.55 N ATOM 537 CA LYS A 254 11.824 -9.724 2.675 1.00 0.55 C ATOM 538 C LYS A 254 11.286 -9.694 1.265 1.00 0.49 C ATOM 539 O LYS A 254 11.566 -10.588 0.470 1.00 0.54 O ATOM 540 CB LYS A 254 10.946 -8.890 3.627 1.00 0.57 C ATOM 541 CG LYS A 254 11.264 -9.097 5.100 1.00 0.73 C ATOM 542 CD LYS A 254 11.490 -7.778 5.824 1.00 1.32 C ATOM 543 CE LYS A 254 12.711 -7.060 5.283 1.00 1.62 C ATOM 544 NZ LYS A 254 12.970 -5.774 5.977 1.00 2.40 N ATOM 0 H LYS A 254 13.884 -9.857 2.971 1.00 0.55 H new ATOM 0 HA LYS A 254 11.813 -10.735 3.082 1.00 0.55 H new ATOM 0 HB2 LYS A 254 11.066 -7.834 3.385 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.899 -9.140 3.453 1.00 0.57 H new ATOM 0 HG2 LYS A 254 10.445 -9.636 5.576 1.00 0.73 H new ATOM 0 HG3 LYS A 254 12.153 -9.720 5.195 1.00 0.73 H new ATOM 0 HD2 LYS A 254 10.611 -7.143 5.712 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.616 -7.962 6.891 1.00 1.32 H new ATOM 0 HE2 LYS A 254 13.583 -7.706 5.385 1.00 1.62 H new ATOM 0 HE3 LYS A 254 12.576 -6.873 4.218 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 13.546 -5.160 5.367 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 12.066 -5.304 6.186 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 13.480 -5.955 6.865 1.00 2.40 H new ATOM 558 N THR A 255 10.534 -8.663 0.961 1.00 0.42 N ATOM 559 CA THR A 255 10.145 -8.377 -0.405 1.00 0.39 C ATOM 560 C THR A 255 10.133 -6.878 -0.677 1.00 0.31 C ATOM 561 O THR A 255 9.679 -6.456 -1.719 1.00 0.32 O ATOM 562 CB THR A 255 8.776 -9.000 -0.734 1.00 0.47 C ATOM 563 OG1 THR A 255 7.872 -8.799 0.362 1.00 0.49 O ATOM 564 CG2 THR A 255 8.915 -10.488 -1.018 1.00 0.60 C ATOM 0 H THR A 255 10.175 -8.000 1.648 1.00 0.42 H new ATOM 0 HA THR A 255 10.891 -8.830 -1.058 1.00 0.39 H new ATOM 0 HB THR A 255 8.381 -8.512 -1.625 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.955 -8.737 0.022 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.936 -10.908 -1.248 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.582 -10.636 -1.868 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.328 -10.989 -0.142 1.00 0.60 H new ATOM 572 N ALA A 256 10.718 -6.119 0.238 1.00 0.26 N ATOM 573 CA ALA A 256 10.441 -4.685 0.428 1.00 0.21 C ATOM 574 C ALA A 256 10.252 -3.824 -0.837 1.00 0.17 C ATOM 575 O ALA A 256 11.025 -3.894 -1.795 1.00 0.21 O ATOM 576 CB ALA A 256 11.522 -4.086 1.297 1.00 0.23 C ATOM 0 H ALA A 256 11.415 -6.482 0.888 1.00 0.26 H new ATOM 0 HA ALA A 256 9.458 -4.661 0.899 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.325 -3.024 1.443 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.532 -4.589 2.264 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.490 -4.212 0.812 1.00 0.23 H new ATOM 582 N LEU A 257 9.198 -2.986 -0.773 1.00 0.14 N ATOM 583 CA LEU A 257 8.911 -1.944 -1.772 1.00 0.14 C ATOM 584 C LEU A 257 10.048 -0.945 -1.880 1.00 0.13 C ATOM 585 O LEU A 257 10.363 -0.269 -0.905 1.00 0.15 O ATOM 586 CB LEU A 257 7.661 -1.130 -1.376 1.00 0.15 C ATOM 587 CG LEU A 257 6.314 -1.664 -1.832 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.382 -2.119 -3.276 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.848 -2.773 -0.919 1.00 0.21 C ATOM 0 H LEU A 257 8.515 -3.016 -0.016 1.00 0.14 H new ATOM 0 HA LEU A 257 8.764 -2.467 -2.717 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.642 -1.047 -0.289 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.776 -0.120 -1.771 1.00 0.15 H new ATOM 0 HG LEU A 257 5.580 -0.860 -1.775 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.408 -2.498 -3.584 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.661 -1.277 -3.910 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.126 -2.909 -3.374 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.882 -3.144 -1.261 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.574 -3.586 -0.934 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.751 -2.391 0.097 1.00 0.21 H new ATOM 601 N ALA A 258 10.623 -0.807 -3.061 1.00 0.14 N ATOM 602 CA ALA A 258 11.628 0.219 -3.279 1.00 0.16 C ATOM 603 C ALA A 258 10.969 1.534 -3.675 1.00 0.17 C ATOM 604 O ALA A 258 10.622 1.741 -4.840 1.00 0.24 O ATOM 605 CB ALA A 258 12.602 -0.228 -4.352 1.00 0.22 C ATOM 0 H ALA A 258 10.415 -1.385 -3.876 1.00 0.14 H new ATOM 0 HA ALA A 258 12.176 0.376 -2.350 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.352 0.547 -4.509 1.00 0.22 H new ATOM 0 HB2 ALA A 258 13.093 -1.149 -4.037 1.00 0.22 H new ATOM 0 HB3 ALA A 258 12.062 -0.404 -5.283 1.00 0.22 H new ATOM 611 N LEU A 259 10.782 2.412 -2.698 1.00 0.13 N ATOM 612 CA LEU A 259 10.178 3.715 -2.942 1.00 0.15 C ATOM 613 C LEU A 259 10.577 4.688 -1.843 1.00 0.15 C ATOM 614 O LEU A 259 11.072 4.276 -0.797 1.00 0.18 O ATOM 615 CB LEU A 259 8.646 3.607 -3.079 1.00 0.20 C ATOM 616 CG LEU A 259 8.000 2.368 -2.447 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.210 2.355 -0.948 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.518 2.312 -2.773 1.00 0.55 C ATOM 0 H LEU A 259 11.041 2.244 -1.726 1.00 0.13 H new ATOM 0 HA LEU A 259 10.553 4.100 -3.891 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.198 4.494 -2.632 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.394 3.623 -4.139 1.00 0.20 H new ATOM 0 HG LEU A 259 8.482 1.485 -2.868 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.743 1.467 -0.523 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.278 2.343 -0.730 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.761 3.246 -0.510 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.078 1.426 -2.316 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.026 3.203 -2.384 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.385 2.267 -3.854 1.00 0.55 H new ATOM 630 N GLU A 260 10.351 5.970 -2.069 1.00 0.18 N ATOM 631 CA GLU A 260 10.856 6.994 -1.194 1.00 0.24 C ATOM 632 C GLU A 260 9.725 7.940 -0.830 1.00 0.20 C ATOM 633 O GLU A 260 8.566 7.697 -1.159 1.00 0.21 O ATOM 634 CB GLU A 260 12.007 7.739 -1.882 1.00 0.39 C ATOM 635 CG GLU A 260 11.569 8.917 -2.744 1.00 0.52 C ATOM 636 CD GLU A 260 12.519 9.181 -3.892 1.00 0.96 C ATOM 637 OE1 GLU A 260 12.824 8.236 -4.651 1.00 1.74 O ATOM 638 OE2 GLU A 260 12.957 10.338 -4.055 1.00 1.27 O ATOM 0 H GLU A 260 9.814 6.322 -2.862 1.00 0.18 H new ATOM 0 HA GLU A 260 11.243 6.549 -0.277 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.697 8.099 -1.119 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.559 7.035 -2.504 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.572 8.723 -3.139 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.497 9.810 -2.123 1.00 0.52 H new ATOM 645 N VAL A 261 10.060 8.984 -0.125 1.00 0.33 N ATOM 646 CA VAL A 261 9.099 9.982 0.285 1.00 0.32 C ATOM 647 C VAL A 261 8.488 10.739 -0.889 1.00 0.22 C ATOM 648 O VAL A 261 9.196 11.352 -1.689 1.00 0.28 O ATOM 649 CB VAL A 261 9.785 10.955 1.224 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.864 12.100 1.587 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.241 10.168 2.418 1.00 0.93 C ATOM 0 H VAL A 261 11.013 9.172 0.186 1.00 0.33 H new ATOM 0 HA VAL A 261 8.277 9.469 0.783 1.00 0.32 H new ATOM 0 HB VAL A 261 10.648 11.422 0.750 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.381 12.783 2.261 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.573 12.634 0.682 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.974 11.709 2.079 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.742 10.832 3.122 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.379 9.709 2.902 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.934 9.390 2.098 1.00 0.93 H new ATOM 661 N GLY A 262 7.166 10.676 -0.986 1.00 0.17 N ATOM 662 CA GLY A 262 6.455 11.462 -1.959 1.00 0.20 C ATOM 663 C GLY A 262 5.968 10.610 -3.095 1.00 0.22 C ATOM 664 O GLY A 262 5.315 11.096 -4.018 1.00 0.31 O ATOM 0 H GLY A 262 6.575 10.087 -0.400 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.608 11.956 -1.483 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.107 12.247 -2.343 1.00 0.20 H new ATOM 668 N GLU A 263 6.273 9.329 -3.013 1.00 0.16 N ATOM 669 CA GLU A 263 5.966 8.410 -4.078 1.00 0.18 C ATOM 670 C GLU A 263 4.616 7.757 -3.836 1.00 0.15 C ATOM 671 O GLU A 263 4.019 7.921 -2.770 1.00 0.19 O ATOM 672 CB GLU A 263 7.068 7.367 -4.146 1.00 0.23 C ATOM 673 CG GLU A 263 8.452 7.989 -4.085 1.00 0.26 C ATOM 674 CD GLU A 263 8.805 8.754 -5.346 1.00 0.61 C ATOM 675 OE1 GLU A 263 9.145 8.114 -6.360 1.00 1.02 O ATOM 676 OE2 GLU A 263 8.729 10.002 -5.338 1.00 1.04 O ATOM 0 H GLU A 263 6.737 8.904 -2.210 1.00 0.16 H new ATOM 0 HA GLU A 263 5.910 8.942 -5.028 1.00 0.18 H new ATOM 0 HB2 GLU A 263 6.951 6.663 -3.322 1.00 0.23 H new ATOM 0 HB3 GLU A 263 6.969 6.796 -5.069 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.506 8.662 -3.229 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.191 7.205 -3.921 1.00 0.26 H new ATOM 683 N LEU A 264 4.134 7.021 -4.814 1.00 0.14 N ATOM 684 CA LEU A 264 2.856 6.354 -4.693 1.00 0.13 C ATOM 685 C LEU A 264 3.003 4.888 -5.021 1.00 0.15 C ATOM 686 O LEU A 264 3.866 4.499 -5.805 1.00 0.24 O ATOM 687 CB LEU A 264 1.831 7.007 -5.625 1.00 0.15 C ATOM 688 CG LEU A 264 0.372 6.611 -5.388 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.167 7.296 -4.147 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.479 6.952 -6.601 1.00 0.18 C ATOM 0 H LEU A 264 4.609 6.869 -5.704 1.00 0.14 H new ATOM 0 HA LEU A 264 2.504 6.449 -3.666 1.00 0.13 H new ATOM 0 HB2 LEU A 264 1.915 8.089 -5.526 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.093 6.759 -6.654 1.00 0.15 H new ATOM 0 HG LEU A 264 0.328 5.533 -5.233 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.206 7.004 -3.992 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.426 7.000 -3.282 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.109 8.377 -4.274 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.513 6.663 -6.413 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.431 8.024 -6.789 1.00 0.18 H new ATOM 0 HD23 LEU A 264 -0.104 6.413 -7.471 1.00 0.18 H new ATOM 702 N VAL A 265 2.164 4.083 -4.412 1.00 0.14 N ATOM 703 CA VAL A 265 2.194 2.662 -4.627 1.00 0.15 C ATOM 704 C VAL A 265 0.780 2.205 -4.881 1.00 0.15 C ATOM 705 O VAL A 265 -0.168 2.928 -4.570 1.00 0.27 O ATOM 706 CB VAL A 265 2.762 1.916 -3.397 1.00 0.20 C ATOM 707 CG1 VAL A 265 1.723 1.828 -2.300 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.249 0.533 -3.769 1.00 0.41 C ATOM 0 H VAL A 265 1.447 4.396 -3.758 1.00 0.14 H new ATOM 0 HA VAL A 265 2.841 2.440 -5.476 1.00 0.15 H new ATOM 0 HB VAL A 265 3.614 2.487 -3.028 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.142 1.300 -1.444 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.427 2.833 -1.998 1.00 0.40 H new ATOM 0 HG13 VAL A 265 0.850 1.288 -2.668 1.00 0.40 H new ATOM 0 HG21 VAL A 265 3.642 0.035 -2.883 1.00 0.41 H new ATOM 0 HG22 VAL A 265 2.420 -0.048 -4.174 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.036 0.614 -4.519 1.00 0.41 H new ATOM 718 N LYS A 266 0.628 1.031 -5.430 1.00 0.13 N ATOM 719 CA LYS A 266 -0.678 0.448 -5.543 1.00 0.15 C ATOM 720 C LYS A 266 -0.649 -0.863 -4.779 1.00 0.13 C ATOM 721 O LYS A 266 -0.024 -1.841 -5.181 1.00 0.14 O ATOM 722 CB LYS A 266 -1.138 0.346 -7.025 1.00 0.24 C ATOM 723 CG LYS A 266 -0.640 -0.835 -7.853 1.00 0.85 C ATOM 724 CD LYS A 266 -1.453 -2.101 -7.617 1.00 0.49 C ATOM 725 CE LYS A 266 -1.296 -3.081 -8.764 1.00 0.82 C ATOM 726 NZ LYS A 266 0.111 -3.165 -9.229 1.00 1.32 N ATOM 0 H LYS A 266 1.388 0.463 -5.804 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.444 1.080 -5.095 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -2.228 0.324 -7.035 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.833 1.261 -7.532 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -0.679 -0.574 -8.911 1.00 0.85 H new ATOM 0 HG3 LYS A 266 0.405 -1.029 -7.611 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.134 -2.572 -6.687 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -2.505 -1.843 -7.498 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -1.634 -4.068 -8.448 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -1.935 -2.776 -9.593 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 0.337 -4.150 -9.476 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 0.237 -2.561 -10.066 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 0.747 -2.843 -8.471 1.00 1.32 H new ATOM 740 N VAL A 267 -1.232 -0.829 -3.602 1.00 0.16 N ATOM 741 CA VAL A 267 -1.200 -1.963 -2.720 1.00 0.16 C ATOM 742 C VAL A 267 -2.189 -3.014 -3.215 1.00 0.17 C ATOM 743 O VAL A 267 -3.402 -2.875 -3.057 1.00 0.25 O ATOM 744 CB VAL A 267 -1.517 -1.561 -1.263 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.169 -2.673 -0.316 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.776 -0.297 -0.862 1.00 0.63 C ATOM 0 H VAL A 267 -1.736 -0.021 -3.236 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.192 -2.378 -2.726 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.588 -1.366 -1.207 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.401 -2.368 0.704 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -1.748 -3.561 -0.569 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.105 -2.899 -0.395 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.022 -0.043 0.169 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.298 -0.462 -0.949 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.072 0.522 -1.518 1.00 0.63 H new ATOM 756 N THR A 268 -1.643 -4.043 -3.845 1.00 0.15 N ATOM 757 CA THR A 268 -2.419 -5.110 -4.441 1.00 0.19 C ATOM 758 C THR A 268 -3.003 -6.001 -3.353 1.00 0.22 C ATOM 759 O THR A 268 -4.010 -6.684 -3.550 1.00 0.34 O ATOM 760 CB THR A 268 -1.521 -5.946 -5.384 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.234 -7.073 -5.906 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.260 -6.411 -4.655 1.00 0.29 C ATOM 0 H THR A 268 -0.636 -4.158 -3.956 1.00 0.15 H new ATOM 0 HA THR A 268 -3.236 -4.677 -5.017 1.00 0.19 H new ATOM 0 HB THR A 268 -1.228 -5.309 -6.219 1.00 0.24 H new ATOM 0 HG1 THR A 268 -1.647 -7.585 -6.500 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.358 -6.997 -5.335 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.302 -5.543 -4.311 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.540 -7.025 -3.799 1.00 0.29 H new ATOM 770 N LYS A 269 -2.368 -5.956 -2.195 1.00 0.18 N ATOM 771 CA LYS A 269 -2.704 -6.793 -1.093 1.00 0.20 C ATOM 772 C LYS A 269 -3.350 -5.939 -0.016 1.00 0.22 C ATOM 773 O LYS A 269 -2.710 -5.062 0.526 1.00 0.35 O ATOM 774 CB LYS A 269 -1.396 -7.429 -0.623 1.00 0.23 C ATOM 775 CG LYS A 269 -1.507 -8.322 0.580 1.00 0.40 C ATOM 776 CD LYS A 269 -1.373 -7.518 1.834 1.00 1.55 C ATOM 777 CE LYS A 269 -2.132 -8.142 2.959 1.00 2.25 C ATOM 778 NZ LYS A 269 -1.600 -9.481 3.334 1.00 2.84 N ATOM 0 H LYS A 269 -1.593 -5.320 -2.007 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.416 -7.577 -1.352 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.977 -8.008 -1.446 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.685 -6.633 -0.399 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -2.467 -8.838 0.571 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -0.732 -9.088 0.546 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.320 -7.434 2.104 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -1.740 -6.506 1.661 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -2.095 -7.484 3.827 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -3.180 -8.238 2.676 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -2.128 -9.848 4.151 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -1.706 -10.134 2.531 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -0.593 -9.398 3.582 1.00 2.84 H new ATOM 792 N ILE A 270 -4.616 -6.162 0.278 1.00 0.33 N ATOM 793 CA ILE A 270 -5.285 -5.348 1.281 1.00 0.39 C ATOM 794 C ILE A 270 -5.577 -6.198 2.512 1.00 0.55 C ATOM 795 O ILE A 270 -5.755 -7.410 2.400 1.00 0.73 O ATOM 796 CB ILE A 270 -6.576 -4.681 0.735 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.804 -5.580 0.893 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.388 -4.317 -0.733 1.00 1.09 C ATOM 799 CD1 ILE A 270 -9.083 -4.934 0.404 1.00 1.90 C ATOM 0 H ILE A 270 -5.195 -6.884 -0.152 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.617 -4.533 1.558 1.00 0.39 H new ATOM 0 HB ILE A 270 -6.752 -3.780 1.323 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -7.640 -6.508 0.344 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -7.918 -5.847 1.944 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.297 -3.849 -1.111 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -5.554 -3.622 -0.832 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.178 -5.219 -1.308 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -9.916 -5.623 0.544 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -9.269 -4.021 0.970 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -8.987 -4.692 -0.654 1.00 1.90 H new ATOM 811 N ASN A 271 -5.581 -5.579 3.684 1.00 0.60 N ATOM 812 CA ASN A 271 -5.733 -6.323 4.926 1.00 0.82 C ATOM 813 C ASN A 271 -6.398 -5.472 6.005 1.00 0.70 C ATOM 814 O ASN A 271 -6.813 -4.340 5.755 1.00 0.87 O ATOM 815 CB ASN A 271 -4.365 -6.807 5.414 1.00 1.17 C ATOM 816 CG ASN A 271 -3.525 -5.695 6.007 1.00 1.58 C ATOM 817 OD1 ASN A 271 -3.502 -5.491 7.220 1.00 2.28 O ATOM 818 ND2 ASN A 271 -2.852 -4.953 5.155 1.00 1.88 N ATOM 0 H ASN A 271 -5.481 -4.571 3.801 1.00 0.60 H new ATOM 0 HA ASN A 271 -6.375 -7.182 4.729 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -4.507 -7.587 6.162 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.826 -7.258 4.581 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.285 -4.176 5.493 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -2.897 -5.155 4.156 1.00 1.88 H new ATOM 825 N MET A 272 -6.463 -6.027 7.207 1.00 0.81 N ATOM 826 CA MET A 272 -7.170 -5.417 8.323 1.00 0.97 C ATOM 827 C MET A 272 -6.344 -4.346 9.039 1.00 1.02 C ATOM 828 O MET A 272 -6.821 -3.239 9.277 1.00 1.22 O ATOM 829 CB MET A 272 -7.577 -6.504 9.328 1.00 1.24 C ATOM 830 CG MET A 272 -6.404 -7.338 9.840 1.00 1.30 C ATOM 831 SD MET A 272 -5.776 -8.510 8.618 1.00 2.03 S ATOM 832 CE MET A 272 -4.397 -9.223 9.514 1.00 2.52 C ATOM 0 H MET A 272 -6.024 -6.919 7.436 1.00 0.81 H new ATOM 0 HA MET A 272 -8.050 -4.923 7.912 1.00 0.97 H new ATOM 0 HB2 MET A 272 -8.075 -6.034 10.176 1.00 1.24 H new ATOM 0 HB3 MET A 272 -8.304 -7.166 8.859 1.00 1.24 H new ATOM 0 HG2 MET A 272 -5.597 -6.671 10.142 1.00 1.30 H new ATOM 0 HG3 MET A 272 -6.716 -7.884 10.730 1.00 1.30 H new ATOM 0 HE1 MET A 272 -3.904 -9.969 8.890 1.00 2.52 H new ATOM 0 HE2 MET A 272 -3.686 -8.438 9.772 1.00 2.52 H new ATOM 0 HE3 MET A 272 -4.761 -9.696 10.426 1.00 2.52 H new ATOM 842 N SER A 273 -5.106 -4.675 9.353 1.00 0.93 N ATOM 843 CA SER A 273 -4.306 -3.877 10.274 1.00 1.02 C ATOM 844 C SER A 273 -3.511 -2.784 9.568 1.00 0.91 C ATOM 845 O SER A 273 -2.876 -1.955 10.219 1.00 1.14 O ATOM 846 CB SER A 273 -3.364 -4.799 11.049 1.00 1.14 C ATOM 847 OG SER A 273 -4.095 -5.842 11.677 1.00 1.50 O ATOM 0 H SER A 273 -4.626 -5.495 8.983 1.00 0.93 H new ATOM 0 HA SER A 273 -4.990 -3.373 10.957 1.00 1.02 H new ATOM 0 HB2 SER A 273 -2.622 -5.223 10.372 1.00 1.14 H new ATOM 0 HB3 SER A 273 -2.820 -4.225 11.799 1.00 1.14 H new ATOM 0 HG SER A 273 -3.478 -6.424 12.167 1.00 1.50 H new ATOM 853 N GLY A 274 -3.541 -2.774 8.244 1.00 0.64 N ATOM 854 CA GLY A 274 -2.813 -1.759 7.517 1.00 0.61 C ATOM 855 C GLY A 274 -1.417 -2.209 7.146 1.00 0.49 C ATOM 856 O GLY A 274 -0.621 -1.420 6.643 1.00 0.57 O ATOM 0 H GLY A 274 -4.051 -3.443 7.667 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.362 -1.500 6.611 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.752 -0.855 8.123 1.00 0.61 H new ATOM 860 N GLN A 275 -1.108 -3.477 7.386 1.00 0.41 N ATOM 861 CA GLN A 275 0.212 -3.994 7.056 1.00 0.40 C ATOM 862 C GLN A 275 0.105 -4.842 5.803 1.00 0.32 C ATOM 863 O GLN A 275 -0.039 -6.062 5.868 1.00 0.41 O ATOM 864 CB GLN A 275 0.794 -4.814 8.210 1.00 0.56 C ATOM 865 CG GLN A 275 2.307 -4.967 8.140 1.00 0.69 C ATOM 866 CD GLN A 275 2.865 -5.866 9.224 1.00 0.76 C ATOM 867 OE1 GLN A 275 3.039 -7.067 9.023 1.00 1.36 O ATOM 868 NE2 GLN A 275 3.131 -5.298 10.392 1.00 0.81 N ATOM 0 H GLN A 275 -1.744 -4.157 7.802 1.00 0.41 H new ATOM 0 HA GLN A 275 0.888 -3.157 6.881 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.528 -4.339 9.154 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.336 -5.803 8.210 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.580 -5.371 7.165 1.00 0.69 H new ATOM 0 HG3 GLN A 275 2.770 -3.983 8.219 1.00 0.69 H new ATOM 0 HE21 GLN A 275 2.974 -4.298 10.521 1.00 0.81 H new ATOM 0 HE22 GLN A 275 3.493 -5.861 11.162 1.00 0.81 H new ATOM 877 N TRP A 276 0.123 -4.183 4.661 1.00 0.22 N ATOM 878 CA TRP A 276 -0.144 -4.844 3.406 1.00 0.17 C ATOM 879 C TRP A 276 1.097 -4.978 2.552 1.00 0.15 C ATOM 880 O TRP A 276 2.196 -4.594 2.952 1.00 0.19 O ATOM 881 CB TRP A 276 -1.204 -4.093 2.613 1.00 0.18 C ATOM 882 CG TRP A 276 -1.408 -2.661 3.026 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.466 -1.668 3.053 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.635 -2.056 3.442 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.034 -0.495 3.479 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.364 -0.706 3.718 1.00 0.31 C ATOM 887 CE3 TRP A 276 -3.936 -2.528 3.608 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.348 0.174 4.156 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -4.914 -1.655 4.043 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.616 -0.314 4.310 1.00 0.47 C ATOM 0 H TRP A 276 0.321 -3.186 4.580 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.502 -5.843 3.656 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -0.932 -4.116 1.558 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.152 -4.622 2.709 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.571 -1.790 2.779 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.544 0.392 3.598 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.176 -3.560 3.400 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.118 1.208 4.367 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -5.924 -2.013 4.179 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.402 0.347 4.644 1.00 0.47 H new ATOM 901 N GLU A 277 0.895 -5.511 1.359 1.00 0.12 N ATOM 902 CA GLU A 277 1.951 -5.676 0.407 1.00 0.12 C ATOM 903 C GLU A 277 1.750 -4.692 -0.713 1.00 0.11 C ATOM 904 O GLU A 277 0.698 -4.677 -1.324 1.00 0.12 O ATOM 905 CB GLU A 277 1.908 -7.078 -0.168 1.00 0.14 C ATOM 906 CG GLU A 277 2.510 -8.137 0.724 1.00 0.19 C ATOM 907 CD GLU A 277 2.605 -9.472 0.021 1.00 1.21 C ATOM 908 OE1 GLU A 277 3.259 -9.541 -1.037 1.00 2.07 O ATOM 909 OE2 GLU A 277 2.010 -10.451 0.512 1.00 1.55 O ATOM 0 H GLU A 277 -0.014 -5.839 1.034 1.00 0.12 H new ATOM 0 HA GLU A 277 2.911 -5.510 0.896 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.871 -7.341 -0.375 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.434 -7.082 -1.123 1.00 0.14 H new ATOM 0 HG2 GLU A 277 3.504 -7.822 1.043 1.00 0.19 H new ATOM 0 HG3 GLU A 277 1.904 -8.242 1.624 1.00 0.19 H new ATOM 916 N GLY A 278 2.752 -3.905 -1.004 1.00 0.13 N ATOM 917 CA GLY A 278 2.625 -2.939 -2.061 1.00 0.12 C ATOM 918 C GLY A 278 3.155 -3.475 -3.346 1.00 0.12 C ATOM 919 O GLY A 278 3.933 -4.426 -3.361 1.00 0.15 O ATOM 0 H GLY A 278 3.655 -3.913 -0.530 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.577 -2.665 -2.183 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.163 -2.030 -1.793 1.00 0.12 H new ATOM 923 N GLU A 279 2.731 -2.876 -4.420 1.00 0.11 N ATOM 924 CA GLU A 279 3.314 -3.147 -5.698 1.00 0.14 C ATOM 925 C GLU A 279 3.474 -1.813 -6.391 1.00 0.17 C ATOM 926 O GLU A 279 2.493 -1.108 -6.632 1.00 0.20 O ATOM 927 CB GLU A 279 2.424 -4.088 -6.514 1.00 0.20 C ATOM 928 CG GLU A 279 3.120 -4.692 -7.723 1.00 0.31 C ATOM 929 CD GLU A 279 2.191 -5.548 -8.557 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.830 -6.655 -8.107 1.00 1.27 O ATOM 931 OE2 GLU A 279 1.821 -5.122 -9.666 1.00 2.07 O ATOM 0 H GLU A 279 1.976 -2.190 -4.434 1.00 0.11 H new ATOM 0 HA GLU A 279 4.277 -3.646 -5.591 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.073 -4.893 -5.868 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.543 -3.541 -6.849 1.00 0.20 H new ATOM 0 HG2 GLU A 279 3.526 -3.892 -8.342 1.00 0.31 H new ATOM 0 HG3 GLU A 279 3.964 -5.296 -7.389 1.00 0.31 H new ATOM 938 N CYS A 280 4.699 -1.456 -6.690 1.00 0.20 N ATOM 939 CA CYS A 280 4.970 -0.156 -7.253 1.00 0.27 C ATOM 940 C CYS A 280 5.693 -0.298 -8.563 1.00 0.29 C ATOM 941 O CYS A 280 6.917 -0.444 -8.593 1.00 0.33 O ATOM 942 CB CYS A 280 5.795 0.681 -6.272 1.00 0.39 C ATOM 943 SG CYS A 280 6.127 2.370 -6.819 1.00 0.51 S ATOM 0 H CYS A 280 5.521 -2.044 -6.554 1.00 0.20 H new ATOM 0 HA CYS A 280 4.024 0.354 -7.434 1.00 0.27 H new ATOM 0 HB2 CYS A 280 5.271 0.719 -5.317 1.00 0.39 H new ATOM 0 HB3 CYS A 280 6.745 0.177 -6.095 1.00 0.39 H new ATOM 0 HG CYS A 280 5.191 3.159 -6.383 1.00 0.51 H new ATOM 949 N ASN A 281 4.910 -0.276 -9.636 1.00 0.37 N ATOM 950 CA ASN A 281 5.430 -0.341 -10.990 1.00 0.49 C ATOM 951 C ASN A 281 6.481 -1.436 -11.111 1.00 0.45 C ATOM 952 O ASN A 281 7.536 -1.257 -11.720 1.00 0.53 O ATOM 953 CB ASN A 281 5.960 1.033 -11.403 1.00 0.63 C ATOM 954 CG ASN A 281 4.816 2.001 -11.659 1.00 0.80 C ATOM 955 OD1 ASN A 281 4.393 2.187 -12.800 1.00 1.44 O ATOM 956 ND2 ASN A 281 4.280 2.592 -10.595 1.00 0.97 N ATOM 0 H ASN A 281 3.893 -0.212 -9.587 1.00 0.37 H new ATOM 0 HA ASN A 281 4.628 -0.606 -11.679 1.00 0.49 H new ATOM 0 HB2 ASN A 281 6.608 1.428 -10.620 1.00 0.63 H new ATOM 0 HB3 ASN A 281 6.569 0.937 -12.302 1.00 0.63 H new ATOM 0 HD21 ASN A 281 3.489 3.226 -10.708 1.00 0.97 H new ATOM 0 HD22 ASN A 281 4.660 2.411 -9.666 1.00 0.97 H new ATOM 963 N GLY A 282 6.154 -2.583 -10.528 1.00 0.37 N ATOM 964 CA GLY A 282 6.994 -3.748 -10.632 1.00 0.39 C ATOM 965 C GLY A 282 7.765 -4.081 -9.371 1.00 0.34 C ATOM 966 O GLY A 282 8.347 -5.162 -9.277 1.00 0.46 O ATOM 0 H GLY A 282 5.306 -2.722 -9.978 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.375 -4.604 -10.901 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.702 -3.598 -11.447 1.00 0.39 H new ATOM 970 N LYS A 283 7.791 -3.185 -8.395 1.00 0.25 N ATOM 971 CA LYS A 283 8.329 -3.545 -7.098 1.00 0.23 C ATOM 972 C LYS A 283 7.218 -4.067 -6.205 1.00 0.14 C ATOM 973 O LYS A 283 6.105 -3.565 -6.234 1.00 0.17 O ATOM 974 CB LYS A 283 9.029 -2.358 -6.438 1.00 0.33 C ATOM 975 CG LYS A 283 10.113 -1.768 -7.310 1.00 0.74 C ATOM 976 CD LYS A 283 10.025 -0.259 -7.329 1.00 0.61 C ATOM 977 CE LYS A 283 11.114 0.342 -8.196 1.00 1.28 C ATOM 978 NZ LYS A 283 10.854 0.143 -9.646 1.00 1.93 N ATOM 0 H LYS A 283 7.454 -2.226 -8.475 1.00 0.25 H new ATOM 0 HA LYS A 283 9.072 -4.330 -7.243 1.00 0.23 H new ATOM 0 HB2 LYS A 283 8.293 -1.588 -6.208 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.463 -2.677 -5.490 1.00 0.33 H new ATOM 0 HG2 LYS A 283 11.091 -2.075 -6.940 1.00 0.74 H new ATOM 0 HG3 LYS A 283 10.020 -2.155 -8.325 1.00 0.74 H new ATOM 0 HD2 LYS A 283 9.048 0.046 -7.704 1.00 0.61 H new ATOM 0 HD3 LYS A 283 10.111 0.126 -6.313 1.00 0.61 H new ATOM 0 HE2 LYS A 283 11.195 1.409 -7.987 1.00 1.28 H new ATOM 0 HE3 LYS A 283 12.072 -0.108 -7.936 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 11.588 0.628 -10.200 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 10.870 -0.874 -9.865 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 9.922 0.535 -9.888 1.00 1.93 H new ATOM 992 N ARG A 284 7.531 -5.080 -5.434 1.00 0.16 N ATOM 993 CA ARG A 284 6.590 -5.680 -4.507 1.00 0.12 C ATOM 994 C ARG A 284 7.132 -5.466 -3.103 1.00 0.13 C ATOM 995 O ARG A 284 8.195 -4.881 -2.962 1.00 0.20 O ATOM 996 CB ARG A 284 6.433 -7.175 -4.822 1.00 0.18 C ATOM 997 CG ARG A 284 5.473 -7.937 -3.908 1.00 0.21 C ATOM 998 CD ARG A 284 4.023 -7.602 -4.193 1.00 0.26 C ATOM 999 NE ARG A 284 3.107 -8.505 -3.497 1.00 0.41 N ATOM 1000 CZ ARG A 284 2.067 -9.100 -4.078 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.882 -8.986 -5.388 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.235 -9.837 -3.353 1.00 0.67 N ATOM 0 H ARG A 284 8.452 -5.518 -5.429 1.00 0.16 H new ATOM 0 HA ARG A 284 5.604 -5.223 -4.594 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.088 -7.279 -5.851 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.414 -7.647 -4.765 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.628 -9.009 -4.034 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.701 -7.702 -2.868 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.821 -6.575 -3.889 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.842 -7.658 -5.266 1.00 0.26 H new ATOM 0 HE ARG A 284 3.275 -8.690 -2.508 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.537 -8.442 -5.950 1.00 0.57 H new ATOM 0 HH12 ARG A 284 1.085 -9.442 -5.832 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.392 -9.947 -2.351 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.438 -10.293 -3.797 1.00 0.67 H new ATOM 1016 N GLY A 285 6.380 -5.834 -2.080 1.00 0.14 N ATOM 1017 CA GLY A 285 6.934 -5.889 -0.748 1.00 0.18 C ATOM 1018 C GLY A 285 5.845 -5.793 0.271 1.00 0.14 C ATOM 1019 O GLY A 285 4.690 -5.930 -0.077 1.00 0.15 O ATOM 0 H GLY A 285 5.396 -6.095 -2.149 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.485 -6.820 -0.614 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.645 -5.074 -0.608 1.00 0.18 H new ATOM 1023 N HIS A 286 6.188 -5.538 1.514 1.00 0.15 N ATOM 1024 CA HIS A 286 5.174 -5.350 2.534 1.00 0.13 C ATOM 1025 C HIS A 286 5.610 -4.290 3.535 1.00 0.15 C ATOM 1026 O HIS A 286 6.695 -4.365 4.107 1.00 0.20 O ATOM 1027 CB HIS A 286 4.807 -6.679 3.221 1.00 0.18 C ATOM 1028 CG HIS A 286 5.950 -7.433 3.850 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.766 -8.570 4.604 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.286 -7.224 3.819 1.00 0.67 C ATOM 1031 CE1 HIS A 286 6.939 -9.024 5.007 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.879 -8.224 4.547 1.00 0.52 N ATOM 0 H HIS A 286 7.150 -5.456 1.843 1.00 0.15 H new ATOM 0 HA HIS A 286 4.267 -4.991 2.048 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.064 -6.474 3.992 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.331 -7.327 2.485 1.00 0.18 H new ATOM 0 HD1 HIS A 286 4.864 -8.996 4.818 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.794 -6.416 3.313 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.100 -9.904 5.612 1.00 0.65 H new ATOM 1041 N PHE A 287 4.765 -3.292 3.710 1.00 0.14 N ATOM 1042 CA PHE A 287 5.058 -2.170 4.595 1.00 0.17 C ATOM 1043 C PHE A 287 3.791 -1.716 5.312 1.00 0.20 C ATOM 1044 O PHE A 287 2.717 -1.680 4.711 1.00 0.29 O ATOM 1045 CB PHE A 287 5.686 -0.999 3.818 1.00 0.20 C ATOM 1046 CG PHE A 287 7.151 -1.169 3.531 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.079 -1.139 4.560 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.598 -1.345 2.234 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.427 -1.279 4.298 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.944 -1.483 1.966 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.860 -1.453 2.999 1.00 0.30 C ATOM 0 H PHE A 287 3.858 -3.232 3.247 1.00 0.14 H new ATOM 0 HA PHE A 287 5.781 -2.505 5.338 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.154 -0.876 2.875 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.542 -0.081 4.387 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.744 -1.005 5.578 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.886 -1.375 1.423 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.141 -1.252 5.108 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.281 -1.614 0.949 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.914 -1.566 2.791 1.00 0.30 H new ATOM 1061 N PRO A 288 3.904 -1.374 6.609 1.00 0.22 N ATOM 1062 CA PRO A 288 2.755 -1.013 7.445 1.00 0.26 C ATOM 1063 C PRO A 288 2.169 0.366 7.128 1.00 0.24 C ATOM 1064 O PRO A 288 2.748 1.158 6.375 1.00 0.28 O ATOM 1065 CB PRO A 288 3.319 -1.023 8.876 1.00 0.33 C ATOM 1066 CG PRO A 288 4.691 -1.599 8.776 1.00 0.54 C ATOM 1067 CD PRO A 288 5.157 -1.326 7.377 1.00 0.32 C ATOM 0 HA PRO A 288 1.931 -1.708 7.281 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.349 -0.015 9.290 1.00 0.33 H new ATOM 0 HB3 PRO A 288 2.692 -1.621 9.538 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.360 -1.142 9.505 1.00 0.54 H new ATOM 0 HG3 PRO A 288 4.680 -2.670 8.981 1.00 0.54 H new ATOM 0 HD2 PRO A 288 5.647 -0.356 7.294 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.872 -2.074 7.034 1.00 0.32 H new ATOM 1075 N PHE A 289 1.024 0.642 7.749 1.00 0.31 N ATOM 1076 CA PHE A 289 0.288 1.892 7.563 1.00 0.37 C ATOM 1077 C PHE A 289 0.986 3.051 8.290 1.00 0.33 C ATOM 1078 O PHE A 289 0.573 4.206 8.197 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.133 1.711 8.110 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.137 2.698 7.584 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.750 2.484 6.365 1.00 0.84 C ATOM 1082 CD2 PHE A 289 -2.479 3.824 8.315 1.00 1.07 C ATOM 1083 CE1 PHE A 289 -3.681 3.376 5.873 1.00 0.81 C ATOM 1084 CE2 PHE A 289 -3.411 4.723 7.830 1.00 1.12 C ATOM 1085 CZ PHE A 289 -4.015 4.496 6.607 1.00 0.50 C ATOM 0 H PHE A 289 0.576 -0.001 8.402 1.00 0.31 H new ATOM 0 HA PHE A 289 0.254 2.134 6.501 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.474 0.704 7.872 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.102 1.788 9.197 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -2.497 1.606 5.789 1.00 0.84 H new ATOM 0 HD2 PHE A 289 -2.013 4.001 9.273 1.00 1.07 H new ATOM 0 HE1 PHE A 289 -4.147 3.198 4.915 1.00 0.81 H new ATOM 0 HE2 PHE A 289 -3.667 5.601 8.405 1.00 1.12 H new ATOM 0 HZ PHE A 289 -4.747 5.194 6.227 1.00 0.50 H new ATOM 1095 N THR A 290 2.072 2.723 8.974 1.00 0.33 N ATOM 1096 CA THR A 290 2.748 3.625 9.894 1.00 0.41 C ATOM 1097 C THR A 290 3.297 4.891 9.230 1.00 0.38 C ATOM 1098 O THR A 290 3.588 5.879 9.912 1.00 0.57 O ATOM 1099 CB THR A 290 3.901 2.870 10.559 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.635 2.147 9.559 1.00 0.50 O ATOM 1101 CG2 THR A 290 3.382 1.906 11.615 1.00 0.61 C ATOM 0 H THR A 290 2.516 1.807 8.904 1.00 0.33 H new ATOM 0 HA THR A 290 2.004 3.954 10.619 1.00 0.41 H new ATOM 0 HB THR A 290 4.555 3.592 11.049 1.00 0.51 H new ATOM 0 HG1 THR A 290 5.375 1.664 9.982 1.00 0.50 H new ATOM 0 HG21 THR A 290 4.221 1.382 12.073 1.00 0.61 H new ATOM 0 HG22 THR A 290 2.840 2.462 12.380 1.00 0.61 H new ATOM 0 HG23 THR A 290 2.712 1.183 11.150 1.00 0.61 H new ATOM 1109 N HIS A 291 3.431 4.873 7.912 1.00 0.25 N ATOM 1110 CA HIS A 291 4.058 5.982 7.201 1.00 0.26 C ATOM 1111 C HIS A 291 3.606 6.002 5.749 1.00 0.23 C ATOM 1112 O HIS A 291 4.404 6.197 4.829 1.00 0.26 O ATOM 1113 CB HIS A 291 5.597 5.916 7.305 1.00 0.35 C ATOM 1114 CG HIS A 291 6.175 4.532 7.200 1.00 0.40 C ATOM 1115 ND1 HIS A 291 5.653 3.549 6.386 1.00 1.01 N ATOM 1116 CD2 HIS A 291 7.229 3.967 7.835 1.00 1.26 C ATOM 1117 CE1 HIS A 291 6.361 2.443 6.526 1.00 0.72 C ATOM 1118 NE2 HIS A 291 7.324 2.668 7.396 1.00 0.88 N ATOM 0 H HIS A 291 3.117 4.108 7.314 1.00 0.25 H new ATOM 0 HA HIS A 291 3.740 6.912 7.672 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.028 6.535 6.518 1.00 0.35 H new ATOM 0 HB3 HIS A 291 5.902 6.351 8.257 1.00 0.35 H new ATOM 0 HD2 HIS A 291 7.876 4.448 8.554 1.00 1.26 H new ATOM 0 HE1 HIS A 291 6.181 1.510 6.013 1.00 0.72 H new ATOM 0 HE2 HIS A 291 8.025 1.990 7.695 1.00 0.88 H new ATOM 1127 N VAL A 292 2.311 5.786 5.556 1.00 0.21 N ATOM 1128 CA VAL A 292 1.694 5.866 4.243 1.00 0.21 C ATOM 1129 C VAL A 292 0.346 6.582 4.325 1.00 0.24 C ATOM 1130 O VAL A 292 -0.279 6.618 5.386 1.00 0.32 O ATOM 1131 CB VAL A 292 1.483 4.467 3.645 1.00 0.23 C ATOM 1132 CG1 VAL A 292 2.812 3.765 3.440 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.587 3.646 4.544 1.00 0.51 C ATOM 0 H VAL A 292 1.661 5.551 6.306 1.00 0.21 H new ATOM 0 HA VAL A 292 2.368 6.430 3.599 1.00 0.21 H new ATOM 0 HB VAL A 292 1.001 4.576 2.673 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.639 2.776 3.016 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.431 4.349 2.759 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.322 3.665 4.398 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.444 2.656 4.110 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.049 3.548 5.527 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.379 4.141 4.645 1.00 0.51 H new ATOM 1143 N ARG A 293 -0.085 7.162 3.214 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.370 7.849 3.146 1.00 0.24 C ATOM 1145 C ARG A 293 -2.223 7.247 2.049 1.00 0.24 C ATOM 1146 O ARG A 293 -1.933 7.400 0.875 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.161 9.334 2.877 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.227 9.997 3.877 1.00 0.38 C ATOM 1149 CD ARG A 293 -0.838 10.044 5.268 1.00 0.45 C ATOM 1150 NE ARG A 293 0.150 10.422 6.280 1.00 0.55 N ATOM 1151 CZ ARG A 293 0.389 9.714 7.383 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.308 8.616 7.638 1.00 0.69 N ATOM 1153 NH2 ARG A 293 1.322 10.110 8.236 1.00 0.74 N ATOM 0 H ARG A 293 0.440 7.171 2.340 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.879 7.730 4.102 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.757 9.462 1.873 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.126 9.840 2.900 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.716 9.452 3.912 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.002 11.010 3.545 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.662 10.757 5.280 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.257 9.068 5.515 1.00 0.45 H new ATOM 0 HE ARG A 293 0.686 11.277 6.132 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -1.032 8.309 6.988 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.121 8.078 8.484 1.00 0.69 H new ATOM 0 HH21 ARG A 293 1.858 10.957 8.049 1.00 0.74 H new ATOM 0 HH22 ARG A 293 1.504 9.568 9.080 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.281 6.575 2.431 1.00 0.23 N ATOM 1168 CA LEU A 294 -4.005 5.739 1.497 1.00 0.26 C ATOM 1169 C LEU A 294 -5.030 6.493 0.676 1.00 0.27 C ATOM 1170 O LEU A 294 -5.836 7.283 1.170 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.656 4.595 2.252 1.00 0.38 C ATOM 1172 CG LEU A 294 -5.047 3.377 1.437 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -3.794 2.669 0.988 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -5.926 2.444 2.255 1.00 1.31 C ATOM 0 H LEU A 294 -3.661 6.588 3.377 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.281 5.355 0.779 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -3.973 4.274 3.038 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.551 4.977 2.744 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.620 3.691 0.565 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -4.063 1.791 0.401 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -3.194 3.344 0.378 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -3.218 2.360 1.860 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -6.196 1.577 1.652 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -5.382 2.116 3.141 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -6.831 2.970 2.559 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.956 6.189 -0.595 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.810 6.711 -1.624 1.00 0.31 C ATOM 1188 C LEU A 295 -6.924 5.721 -1.931 1.00 0.36 C ATOM 1189 O LEU A 295 -7.084 5.252 -3.059 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.986 6.972 -2.858 1.00 0.33 C ATOM 1191 CG LEU A 295 -4.210 8.281 -2.869 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -2.968 8.194 -1.993 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.858 8.621 -4.295 1.00 0.39 C ATOM 0 H LEU A 295 -4.260 5.536 -0.956 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.264 7.643 -1.287 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -4.279 6.151 -2.981 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.647 6.956 -3.724 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.829 9.075 -2.452 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.435 9.144 -2.022 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.261 7.973 -0.967 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.317 7.402 -2.363 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -3.301 9.558 -4.319 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -3.247 7.824 -4.719 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.772 8.727 -4.880 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.615 5.397 -0.866 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.717 4.426 -0.805 1.00 0.66 C ATOM 1207 C ASP A 296 -9.549 4.310 -2.095 1.00 0.86 C ATOM 1208 O ASP A 296 -9.988 5.315 -2.665 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.605 4.840 0.372 1.00 1.02 C ATOM 1210 CG ASP A 296 -10.930 4.127 0.428 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -10.932 2.911 0.721 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -11.954 4.752 0.131 1.00 1.97 O ATOM 0 H ASP A 296 -7.424 5.820 0.042 1.00 0.55 H new ATOM 0 HA ASP A 296 -8.287 3.433 -0.676 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -9.066 4.655 1.301 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -9.785 5.914 0.316 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.748 3.063 -2.537 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.583 2.742 -3.706 1.00 0.87 C ATOM 1219 C GLN A 297 -11.529 1.585 -3.372 1.00 1.60 C ATOM 1220 O GLN A 297 -12.667 1.858 -2.942 1.00 2.38 O ATOM 1221 CB GLN A 297 -9.723 2.372 -4.927 1.00 1.01 C ATOM 1222 CG GLN A 297 -8.731 3.453 -5.330 1.00 2.20 C ATOM 1223 CD GLN A 297 -7.849 3.040 -6.493 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -6.764 2.495 -6.306 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -8.309 3.298 -7.707 1.00 3.77 N ATOM 1226 OXT GLN A 297 -11.132 0.409 -3.529 1.00 2.17 O ATOM 0 H GLN A 297 -9.334 2.243 -2.094 1.00 0.62 H new ATOM 0 HA GLN A 297 -11.163 3.630 -3.956 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -9.177 1.454 -4.710 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -10.379 2.161 -5.771 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -9.276 4.358 -5.597 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -8.103 3.700 -4.474 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -9.215 3.752 -7.823 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -7.758 3.043 -8.526 1.00 3.77 H new