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= 0.0353 USER MOD Set 1.2: A 291 HIS : no HE2:sc= -0.913 K(o=-0.88,f=-1.7) USER MOD Set 2.1: A 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 273 SER OG : rot 180:sc= -0.592 USER MOD Set 3.1: A 236 ASN : amide:sc= -6.3! C(o=-6.2!,f=-6.1!) USER MOD Set 3.2: A 297 GLN : amide:sc= 0.0924! C(o=-6.2!,f=-6.1!) USER MOD Single : A 228 ASN : amide:sc= -0.136 K(o=-0.14,f=-3.9!) USER MOD Single : A 229 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 233 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 235 GLN : amide:sc= -0.0924 K(o=-0.092,f=-1.6!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD Single : A 246 LYS NZ :NH3+ 138:sc= -1.5 (180deg=-5.46!) USER MOD Single : A 250 ASN : amide:sc= -2.32! K(o=-2.3!,f=-0.19) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ -159:sc= -0.0666 (180deg=-0.424) USER MOD Single : A 255 THR OG1 : rot 180:sc= -2.51! USER MOD Single : A 266 LYS NZ :NH3+ -125:sc= 0.347 (180deg=-0.416) USER MOD Single : A 268 THR OG1 : rot 180:sc= 0 USER MOD Single : A 269 LYS NZ :NH3+ 133:sc= 1.31 (180deg=-0.201) USER MOD Single : A 271 ASN : amide:sc= -2.68! C(o=-2.7!,f=-10!) USER MOD Single : A 275 GLN : amide:sc= -3.93! K(o=-3.9!,f=-1.2) USER MOD Single : A 280 CYS SG : rot 88:sc= 0.0973 USER MOD Single : A 281 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HE2:sc= -0.601 K(o=-0.6,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 227 -11.207 -0.242 2.659 1.00 1.37 N ATOM 98 CA ILE A 227 -10.673 -1.532 3.073 1.00 1.12 C ATOM 99 C ILE A 227 -10.610 -1.654 4.603 1.00 1.27 C ATOM 100 O ILE A 227 -9.743 -1.081 5.271 1.00 1.47 O ATOM 101 CB ILE A 227 -9.295 -1.819 2.397 1.00 0.97 C ATOM 102 CG1 ILE A 227 -9.518 -2.511 1.045 1.00 1.20 C ATOM 103 CG2 ILE A 227 -8.377 -2.663 3.268 1.00 1.14 C ATOM 104 CD1 ILE A 227 -10.129 -1.620 -0.005 1.00 1.47 C ATOM 0 HA ILE A 227 -11.362 -2.303 2.728 1.00 1.12 H new ATOM 0 HB ILE A 227 -8.800 -0.859 2.251 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -8.562 -2.886 0.678 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -10.164 -3.376 1.193 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -7.434 -2.831 2.747 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.186 -2.142 4.206 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -8.852 -3.622 3.475 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -10.255 -2.182 -0.931 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -11.101 -1.266 0.339 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -9.474 -0.767 -0.184 1.00 1.47 H new ATOM 116 N ASN A 228 -11.605 -2.350 5.144 1.00 1.52 N ATOM 117 CA ASN A 228 -11.662 -2.674 6.563 1.00 1.82 C ATOM 118 C ASN A 228 -11.936 -4.166 6.762 1.00 1.80 C ATOM 119 O ASN A 228 -12.855 -4.731 6.164 1.00 2.07 O ATOM 120 CB ASN A 228 -12.741 -1.845 7.280 1.00 2.42 C ATOM 121 CG ASN A 228 -14.155 -2.132 6.790 1.00 3.09 C ATOM 122 OD1 ASN A 228 -14.387 -2.392 5.607 1.00 3.44 O ATOM 123 ND2 ASN A 228 -15.112 -2.098 7.700 1.00 3.83 N ATOM 0 H ASN A 228 -12.396 -2.706 4.608 1.00 1.52 H new ATOM 0 HA ASN A 228 -10.693 -2.428 6.998 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -12.689 -2.044 8.350 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -12.525 -0.786 7.142 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -16.077 -2.290 7.432 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -14.886 -1.880 8.670 1.00 3.83 H new ATOM 130 N THR A 229 -11.094 -4.798 7.576 1.00 1.66 N ATOM 131 CA THR A 229 -11.222 -6.219 7.923 1.00 1.67 C ATOM 132 C THR A 229 -11.201 -7.180 6.702 1.00 1.68 C ATOM 133 O THR A 229 -11.824 -8.243 6.756 1.00 2.22 O ATOM 134 CB THR A 229 -12.534 -6.459 8.702 1.00 1.80 C ATOM 135 OG1 THR A 229 -12.906 -5.275 9.426 1.00 1.91 O ATOM 136 CG2 THR A 229 -12.384 -7.613 9.684 1.00 1.88 C ATOM 0 H THR A 229 -10.297 -4.340 8.018 1.00 1.66 H new ATOM 0 HA THR A 229 -10.345 -6.446 8.529 1.00 1.67 H new ATOM 0 HB THR A 229 -13.309 -6.708 7.977 1.00 1.80 H new ATOM 0 HG1 THR A 229 -13.740 -5.439 9.914 1.00 1.91 H new ATOM 0 HG21 THR A 229 -13.322 -7.760 10.219 1.00 1.88 H new ATOM 0 HG22 THR A 229 -12.130 -8.523 9.140 1.00 1.88 H new ATOM 0 HG23 THR A 229 -11.592 -7.383 10.397 1.00 1.88 H new ATOM 144 N PRO A 230 -10.491 -6.875 5.592 1.00 1.34 N ATOM 145 CA PRO A 230 -10.495 -7.721 4.420 1.00 1.46 C ATOM 146 C PRO A 230 -9.200 -8.511 4.230 1.00 1.44 C ATOM 147 O PRO A 230 -8.141 -8.144 4.740 1.00 1.32 O ATOM 148 CB PRO A 230 -10.642 -6.675 3.328 1.00 1.46 C ATOM 149 CG PRO A 230 -9.844 -5.508 3.825 1.00 1.48 C ATOM 150 CD PRO A 230 -9.666 -5.694 5.321 1.00 1.35 C ATOM 0 HA PRO A 230 -11.263 -8.493 4.453 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -10.262 -7.040 2.374 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -11.687 -6.406 3.173 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -8.877 -5.462 3.325 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -10.358 -4.571 3.612 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -8.622 -5.858 5.589 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -10.006 -4.823 5.882 1.00 1.35 H new ATOM 158 N LEU A 231 -9.304 -9.615 3.521 1.00 1.78 N ATOM 159 CA LEU A 231 -8.132 -10.334 3.051 1.00 1.82 C ATOM 160 C LEU A 231 -7.954 -10.021 1.570 1.00 1.52 C ATOM 161 O LEU A 231 -8.873 -9.477 0.953 1.00 1.52 O ATOM 162 CB LEU A 231 -8.285 -11.849 3.276 1.00 2.34 C ATOM 163 CG LEU A 231 -8.152 -12.333 4.728 1.00 2.79 C ATOM 164 CD1 LEU A 231 -6.879 -11.792 5.361 1.00 3.30 C ATOM 165 CD2 LEU A 231 -9.374 -11.947 5.550 1.00 3.42 C ATOM 0 H LEU A 231 -10.193 -10.039 3.255 1.00 1.78 H new ATOM 0 HA LEU A 231 -7.252 -10.017 3.611 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -9.261 -12.155 2.900 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -7.536 -12.363 2.673 1.00 2.34 H new ATOM 0 HG LEU A 231 -8.090 -13.421 4.715 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -6.805 -12.147 6.389 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -6.015 -12.139 4.794 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -6.904 -10.702 5.354 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -9.252 -12.303 6.573 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -9.482 -10.862 5.553 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -10.264 -12.399 5.113 1.00 3.42 H new ATOM 177 N PRO A 232 -6.788 -10.328 0.970 1.00 1.40 N ATOM 178 CA PRO A 232 -6.566 -10.063 -0.453 1.00 1.28 C ATOM 179 C PRO A 232 -7.672 -10.677 -1.302 1.00 1.55 C ATOM 180 O PRO A 232 -7.931 -11.883 -1.220 1.00 1.84 O ATOM 181 CB PRO A 232 -5.224 -10.741 -0.734 1.00 1.40 C ATOM 182 CG PRO A 232 -4.528 -10.752 0.581 1.00 1.45 C ATOM 183 CD PRO A 232 -5.606 -10.923 1.616 1.00 1.54 C ATOM 0 HA PRO A 232 -6.566 -9.000 -0.692 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -5.363 -11.752 -1.118 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -4.651 -10.192 -1.481 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -3.804 -11.565 0.633 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -3.978 -9.825 0.740 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -5.766 -11.973 1.861 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -5.356 -10.413 2.546 1.00 1.54 H new ATOM 191 N ASN A 233 -8.300 -9.841 -2.126 1.00 1.58 N ATOM 192 CA ASN A 233 -9.538 -10.212 -2.812 1.00 2.01 C ATOM 193 C ASN A 233 -10.078 -9.028 -3.612 1.00 1.76 C ATOM 194 O ASN A 233 -10.504 -9.192 -4.758 1.00 2.31 O ATOM 195 CB ASN A 233 -10.587 -10.665 -1.783 1.00 2.67 C ATOM 196 CG ASN A 233 -11.914 -11.074 -2.400 1.00 3.38 C ATOM 197 OD1 ASN A 233 -11.977 -11.522 -3.543 1.00 3.96 O ATOM 198 ND2 ASN A 233 -12.984 -10.943 -1.628 1.00 3.82 N ATOM 0 H ASN A 233 -7.971 -8.899 -2.336 1.00 1.58 H new ATOM 0 HA ASN A 233 -9.326 -11.032 -3.498 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -10.187 -11.505 -1.215 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -10.761 -9.855 -1.074 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -13.902 -11.219 -1.977 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -12.889 -10.567 -0.685 1.00 3.82 H new ATOM 205 N LEU A 234 -10.049 -7.839 -2.986 1.00 1.61 N ATOM 206 CA LEU A 234 -10.577 -6.607 -3.567 1.00 1.90 C ATOM 207 C LEU A 234 -12.058 -6.562 -3.378 1.00 1.69 C ATOM 208 O LEU A 234 -12.782 -7.511 -3.683 1.00 1.91 O ATOM 209 CB LEU A 234 -10.257 -6.407 -5.045 1.00 2.77 C ATOM 210 CG LEU A 234 -8.906 -5.764 -5.364 1.00 3.77 C ATOM 211 CD1 LEU A 234 -7.794 -6.374 -4.532 1.00 4.30 C ATOM 212 CD2 LEU A 234 -8.603 -5.914 -6.843 1.00 4.49 C ATOM 0 H LEU A 234 -9.653 -7.712 -2.054 1.00 1.61 H new ATOM 0 HA LEU A 234 -10.077 -5.796 -3.038 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -10.299 -7.378 -5.539 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -11.042 -5.791 -5.485 1.00 2.77 H new ATOM 0 HG LEU A 234 -8.963 -4.705 -5.114 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -6.847 -5.895 -4.783 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -8.007 -6.224 -3.474 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -7.727 -7.442 -4.741 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -7.640 -5.455 -7.066 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -8.569 -6.972 -7.102 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -9.382 -5.423 -7.426 1.00 4.49 H new ATOM 224 N GLN A 235 -12.498 -5.457 -2.858 1.00 1.58 N ATOM 225 CA GLN A 235 -13.859 -5.308 -2.468 1.00 1.78 C ATOM 226 C GLN A 235 -14.547 -4.435 -3.494 1.00 1.59 C ATOM 227 O GLN A 235 -15.730 -4.584 -3.790 1.00 1.97 O ATOM 228 CB GLN A 235 -13.843 -4.739 -1.063 1.00 2.17 C ATOM 229 CG GLN A 235 -15.146 -4.131 -0.584 1.00 2.56 C ATOM 230 CD GLN A 235 -15.148 -3.908 0.915 1.00 3.18 C ATOM 231 OE1 GLN A 235 -14.480 -4.623 1.659 1.00 3.71 O ATOM 232 NE2 GLN A 235 -15.911 -2.935 1.375 1.00 3.72 N ATOM 0 H GLN A 235 -11.919 -4.634 -2.693 1.00 1.58 H new ATOM 0 HA GLN A 235 -14.422 -6.241 -2.440 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -13.559 -5.533 -0.373 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -13.066 -3.976 -1.009 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -15.312 -3.181 -1.093 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -15.974 -4.787 -0.855 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -16.452 -2.362 0.728 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -15.960 -2.756 2.378 1.00 3.72 H new ATOM 241 N ASN A 236 -13.766 -3.511 -4.025 1.00 1.40 N ATOM 242 CA ASN A 236 -14.196 -2.679 -5.140 1.00 1.65 C ATOM 243 C ASN A 236 -13.052 -2.459 -6.113 1.00 1.69 C ATOM 244 O ASN A 236 -13.236 -1.854 -7.170 1.00 2.36 O ATOM 245 CB ASN A 236 -14.703 -1.327 -4.647 1.00 2.09 C ATOM 246 CG ASN A 236 -13.655 -0.585 -3.854 1.00 2.95 C ATOM 247 OD1 ASN A 236 -13.504 -0.811 -2.659 1.00 3.67 O ATOM 248 ND2 ASN A 236 -12.935 0.307 -4.508 1.00 3.34 N ATOM 0 H ASN A 236 -12.820 -3.315 -3.699 1.00 1.40 H new ATOM 0 HA ASN A 236 -15.008 -3.200 -5.647 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -15.008 -0.721 -5.500 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -15.588 -1.475 -4.028 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -12.218 0.842 -4.018 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -13.096 0.462 -5.503 1.00 3.34 H new ATOM 255 N GLY A 237 -11.867 -2.945 -5.758 1.00 1.32 N ATOM 256 CA GLY A 237 -10.692 -2.547 -6.435 1.00 1.67 C ATOM 257 C GLY A 237 -9.589 -2.271 -5.450 1.00 1.38 C ATOM 258 O GLY A 237 -9.827 -2.210 -4.242 1.00 1.70 O ATOM 0 H GLY A 237 -11.721 -3.614 -5.002 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -10.382 -3.328 -7.129 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -10.891 -1.654 -7.028 1.00 1.67 H new ATOM 262 N PRO A 238 -8.377 -2.146 -5.942 1.00 0.90 N ATOM 263 CA PRO A 238 -7.194 -1.844 -5.152 1.00 0.65 C ATOM 264 C PRO A 238 -7.052 -0.368 -4.917 1.00 0.50 C ATOM 265 O PRO A 238 -7.681 0.448 -5.593 1.00 0.76 O ATOM 266 CB PRO A 238 -6.043 -2.341 -6.040 1.00 0.65 C ATOM 267 CG PRO A 238 -6.734 -3.050 -7.158 1.00 0.96 C ATOM 268 CD PRO A 238 -8.025 -2.324 -7.326 1.00 0.88 C ATOM 0 HA PRO A 238 -7.225 -2.306 -4.165 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.435 -1.514 -6.406 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.377 -3.009 -5.494 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -6.141 -3.020 -8.072 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -6.899 -4.101 -6.919 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -7.908 -1.378 -7.854 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.765 -2.906 -7.875 1.00 0.88 H new ATOM 276 N PHE A 239 -6.217 -0.025 -3.976 1.00 0.37 N ATOM 277 CA PHE A 239 -5.973 1.361 -3.686 1.00 0.28 C ATOM 278 C PHE A 239 -4.535 1.712 -3.962 1.00 0.27 C ATOM 279 O PHE A 239 -3.753 0.884 -4.424 1.00 0.51 O ATOM 280 CB PHE A 239 -6.338 1.703 -2.237 1.00 0.34 C ATOM 281 CG PHE A 239 -5.968 0.644 -1.248 1.00 0.41 C ATOM 282 CD1 PHE A 239 -4.650 0.279 -1.027 1.00 0.35 C ATOM 283 CD2 PHE A 239 -6.956 0.024 -0.529 1.00 0.90 C ATOM 284 CE1 PHE A 239 -4.340 -0.692 -0.101 1.00 0.35 C ATOM 285 CE2 PHE A 239 -6.653 -0.947 0.398 1.00 1.09 C ATOM 286 CZ PHE A 239 -5.343 -1.306 0.613 1.00 0.73 C ATOM 0 H PHE A 239 -5.695 -0.684 -3.398 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.612 1.955 -4.340 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.843 2.634 -1.959 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.411 1.882 -2.177 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -3.860 0.759 -1.585 1.00 0.35 H new ATOM 0 HD2 PHE A 239 -7.987 0.301 -0.692 1.00 0.90 H new ATOM 0 HE1 PHE A 239 -3.310 -0.971 0.065 1.00 0.35 H new ATOM 0 HE2 PHE A 239 -7.443 -1.427 0.956 1.00 1.09 H new ATOM 0 HZ PHE A 239 -5.102 -2.068 1.340 1.00 0.73 H new ATOM 296 N TYR A 240 -4.203 2.940 -3.682 1.00 0.16 N ATOM 297 CA TYR A 240 -2.852 3.412 -3.802 1.00 0.21 C ATOM 298 C TYR A 240 -2.468 3.940 -2.449 1.00 0.21 C ATOM 299 O TYR A 240 -3.336 4.213 -1.643 1.00 0.36 O ATOM 300 CB TYR A 240 -2.740 4.529 -4.846 1.00 0.25 C ATOM 301 CG TYR A 240 -3.354 4.207 -6.190 1.00 0.25 C ATOM 302 CD1 TYR A 240 -2.946 3.100 -6.925 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.332 5.029 -6.731 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.500 2.825 -8.161 1.00 0.38 C ATOM 305 CE2 TYR A 240 -4.892 4.759 -7.962 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.473 3.657 -8.674 1.00 0.45 C ATOM 307 OH TYR A 240 -5.024 3.391 -9.907 1.00 0.59 O ATOM 0 H TYR A 240 -4.866 3.646 -3.362 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.195 2.605 -4.127 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.217 5.426 -4.450 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.686 4.766 -4.992 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.186 2.446 -6.525 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -4.661 5.896 -6.178 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -3.172 1.963 -8.723 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.655 5.408 -8.366 1.00 0.46 H new ATOM 0 HH TYR A 240 -5.695 4.073 -10.120 1.00 0.59 H new ATOM 317 N ALA A 241 -1.202 4.043 -2.166 1.00 0.17 N ATOM 318 CA ALA A 241 -0.790 4.694 -0.950 1.00 0.19 C ATOM 319 C ALA A 241 0.441 5.540 -1.211 1.00 0.15 C ATOM 320 O ALA A 241 1.477 5.028 -1.640 1.00 0.19 O ATOM 321 CB ALA A 241 -0.535 3.687 0.159 1.00 0.35 C ATOM 0 H ALA A 241 -0.443 3.691 -2.750 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.599 5.344 -0.615 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.226 4.212 1.063 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.449 3.127 0.359 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.252 2.999 -0.148 1.00 0.35 H new ATOM 327 N ARG A 242 0.317 6.834 -0.982 1.00 0.16 N ATOM 328 CA ARG A 242 1.442 7.728 -1.096 1.00 0.16 C ATOM 329 C ARG A 242 2.289 7.587 0.140 1.00 0.14 C ATOM 330 O ARG A 242 1.884 7.956 1.240 1.00 0.23 O ATOM 331 CB ARG A 242 1.011 9.192 -1.241 1.00 0.29 C ATOM 332 CG ARG A 242 2.196 10.153 -1.308 1.00 0.33 C ATOM 333 CD ARG A 242 2.652 10.396 -2.738 1.00 0.79 C ATOM 334 NE ARG A 242 1.663 11.144 -3.512 1.00 1.19 N ATOM 335 CZ ARG A 242 1.933 11.787 -4.646 1.00 1.66 C ATOM 336 NH1 ARG A 242 3.162 11.780 -5.151 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.967 12.443 -5.272 1.00 2.05 N ATOM 0 H ARG A 242 -0.558 7.286 -0.715 1.00 0.16 H new ATOM 0 HA ARG A 242 1.998 7.459 -1.994 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.409 9.301 -2.143 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.375 9.464 -0.398 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.919 11.102 -0.849 1.00 0.33 H new ATOM 0 HG3 ARG A 242 3.025 9.748 -0.727 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.594 10.944 -2.729 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.844 9.439 -3.224 1.00 0.79 H new ATOM 0 HE ARG A 242 0.706 11.175 -3.161 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.908 11.279 -4.669 1.00 1.90 H new ATOM 0 HH12 ARG A 242 3.359 12.276 -6.020 1.00 1.90 H new ATOM 0 HH21 ARG A 242 0.023 12.453 -4.885 1.00 2.05 H new ATOM 0 HH22 ARG A 242 1.167 12.938 -6.141 1.00 2.05 H new ATOM 351 N VAL A 243 3.444 7.015 -0.042 1.00 0.10 N ATOM 352 CA VAL A 243 4.371 6.851 1.035 1.00 0.14 C ATOM 353 C VAL A 243 5.039 8.183 1.327 1.00 0.11 C ATOM 354 O VAL A 243 5.554 8.831 0.423 1.00 0.15 O ATOM 355 CB VAL A 243 5.426 5.781 0.702 1.00 0.20 C ATOM 356 CG1 VAL A 243 6.168 6.102 -0.582 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.384 5.645 1.858 1.00 0.32 C ATOM 0 H VAL A 243 3.767 6.651 -0.938 1.00 0.10 H new ATOM 0 HA VAL A 243 3.828 6.514 1.918 1.00 0.14 H new ATOM 0 HB VAL A 243 4.915 4.831 0.543 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.904 5.323 -0.782 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.459 6.153 -1.409 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.675 7.062 -0.479 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.132 4.887 1.624 1.00 0.32 H new ATOM 0 HG22 VAL A 243 6.878 6.600 2.035 1.00 0.32 H new ATOM 0 HG23 VAL A 243 5.836 5.349 2.752 1.00 0.32 H new ATOM 367 N ILE A 244 4.991 8.623 2.568 1.00 0.13 N ATOM 368 CA ILE A 244 5.642 9.872 2.917 1.00 0.15 C ATOM 369 C ILE A 244 6.818 9.622 3.838 1.00 0.14 C ATOM 370 O ILE A 244 7.496 10.562 4.259 1.00 0.20 O ATOM 371 CB ILE A 244 4.699 10.918 3.559 1.00 0.25 C ATOM 372 CG1 ILE A 244 4.198 10.474 4.945 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.539 11.204 2.627 1.00 0.32 C ATOM 374 CD1 ILE A 244 3.280 9.275 4.923 1.00 0.76 C ATOM 0 H ILE A 244 4.519 8.148 3.338 1.00 0.13 H new ATOM 0 HA ILE A 244 5.982 10.295 1.972 1.00 0.15 H new ATOM 0 HB ILE A 244 5.268 11.835 3.712 1.00 0.25 H new ATOM 0 HG12 ILE A 244 5.059 10.245 5.573 1.00 0.37 H new ATOM 0 HG13 ILE A 244 3.675 11.308 5.413 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.878 11.941 3.084 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.919 11.593 1.682 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.984 10.284 2.443 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.975 9.031 5.941 1.00 0.76 H new ATOM 0 HD12 ILE A 244 2.398 9.503 4.325 1.00 0.76 H new ATOM 0 HD13 ILE A 244 3.803 8.424 4.487 1.00 0.76 H new ATOM 386 N GLN A 245 7.051 8.350 4.154 1.00 0.12 N ATOM 387 CA GLN A 245 8.243 7.930 4.889 1.00 0.14 C ATOM 388 C GLN A 245 8.587 6.503 4.499 1.00 0.14 C ATOM 389 O GLN A 245 7.901 5.565 4.900 1.00 0.17 O ATOM 390 CB GLN A 245 7.992 7.991 6.400 1.00 0.21 C ATOM 391 CG GLN A 245 7.460 9.328 6.865 1.00 0.33 C ATOM 392 CD GLN A 245 6.680 9.243 8.160 1.00 0.54 C ATOM 393 OE1 GLN A 245 5.750 10.013 8.386 1.00 1.19 O ATOM 394 NE2 GLN A 245 7.057 8.316 9.025 1.00 1.06 N ATOM 0 H GLN A 245 6.423 7.585 3.910 1.00 0.12 H new ATOM 0 HA GLN A 245 9.066 8.600 4.642 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.283 7.210 6.675 1.00 0.21 H new ATOM 0 HB3 GLN A 245 8.923 7.776 6.925 1.00 0.21 H new ATOM 0 HG2 GLN A 245 8.294 10.018 6.995 1.00 0.33 H new ATOM 0 HG3 GLN A 245 6.819 9.746 6.089 1.00 0.33 H new ATOM 0 HE21 GLN A 245 7.834 7.695 8.801 1.00 1.06 H new ATOM 0 HE22 GLN A 245 6.570 8.222 9.916 1.00 1.06 H new ATOM 403 N LYS A 246 9.594 6.337 3.661 1.00 0.15 N ATOM 404 CA LYS A 246 10.047 5.011 3.286 1.00 0.16 C ATOM 405 C LYS A 246 11.561 4.939 3.251 1.00 0.22 C ATOM 406 O LYS A 246 12.247 5.964 3.255 1.00 0.29 O ATOM 407 CB LYS A 246 9.481 4.583 1.937 1.00 0.18 C ATOM 408 CG LYS A 246 9.021 3.130 1.913 1.00 0.20 C ATOM 409 CD LYS A 246 7.794 2.920 2.796 1.00 0.29 C ATOM 410 CE LYS A 246 6.829 1.917 2.196 1.00 0.28 C ATOM 411 NZ LYS A 246 6.108 2.460 1.014 1.00 0.36 N ATOM 0 H LYS A 246 10.112 7.102 3.228 1.00 0.15 H new ATOM 0 HA LYS A 246 9.678 4.324 4.048 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.640 5.228 1.682 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.240 4.730 1.169 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.789 2.837 0.889 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.831 2.485 2.253 1.00 0.20 H new ATOM 0 HD2 LYS A 246 8.110 2.575 3.780 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.284 3.872 2.941 1.00 0.29 H new ATOM 0 HE2 LYS A 246 7.376 1.021 1.904 1.00 0.28 H new ATOM 0 HE3 LYS A 246 6.105 1.616 2.953 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 6.060 1.732 0.273 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 5.145 2.736 1.292 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 6.615 3.292 0.650 1.00 0.36 H new ATOM 425 N ARG A 247 12.061 3.722 3.191 1.00 0.27 N ATOM 426 CA ARG A 247 13.469 3.469 2.970 1.00 0.37 C ATOM 427 C ARG A 247 13.610 3.085 1.509 1.00 0.27 C ATOM 428 O ARG A 247 12.599 2.805 0.870 1.00 0.21 O ATOM 429 CB ARG A 247 13.963 2.331 3.879 1.00 0.55 C ATOM 430 CG ARG A 247 13.486 0.950 3.446 1.00 0.69 C ATOM 431 CD ARG A 247 13.741 -0.107 4.509 1.00 0.72 C ATOM 432 NE ARG A 247 15.158 -0.441 4.634 1.00 1.24 N ATOM 433 CZ ARG A 247 15.617 -1.686 4.753 1.00 1.29 C ATOM 434 NH1 ARG A 247 14.771 -2.710 4.754 1.00 1.33 N ATOM 435 NH2 ARG A 247 16.919 -1.906 4.863 1.00 2.10 N ATOM 0 H ARG A 247 11.499 2.877 3.295 1.00 0.27 H new ATOM 0 HA ARG A 247 14.069 4.348 3.206 1.00 0.37 H new ATOM 0 HB2 ARG A 247 15.053 2.340 3.898 1.00 0.55 H new ATOM 0 HB3 ARG A 247 13.625 2.519 4.898 1.00 0.55 H new ATOM 0 HG2 ARG A 247 12.420 0.989 3.224 1.00 0.69 H new ATOM 0 HG3 ARG A 247 13.993 0.665 2.524 1.00 0.69 H new ATOM 0 HD2 ARG A 247 13.369 0.250 5.469 1.00 0.72 H new ATOM 0 HD3 ARG A 247 13.178 -1.008 4.264 1.00 0.72 H new ATOM 0 HE ARG A 247 15.834 0.323 4.630 1.00 1.24 H new ATOM 0 HH11 ARG A 247 13.769 -2.544 4.664 1.00 1.33 H new ATOM 0 HH12 ARG A 247 15.124 -3.663 4.845 1.00 1.33 H new ATOM 0 HH21 ARG A 247 17.571 -1.122 4.857 1.00 2.10 H new ATOM 0 HH22 ARG A 247 17.269 -2.860 4.954 1.00 2.10 H new ATOM 449 N VAL A 248 14.810 3.091 0.963 1.00 0.32 N ATOM 450 CA VAL A 248 14.992 2.612 -0.399 1.00 0.31 C ATOM 451 C VAL A 248 15.560 1.200 -0.349 1.00 0.26 C ATOM 452 O VAL A 248 16.774 1.000 -0.284 1.00 0.30 O ATOM 453 CB VAL A 248 15.920 3.526 -1.225 1.00 0.45 C ATOM 454 CG1 VAL A 248 15.879 3.141 -2.696 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.534 4.987 -1.049 1.00 1.18 C ATOM 0 H VAL A 248 15.659 3.414 1.427 1.00 0.32 H new ATOM 0 HA VAL A 248 14.021 2.618 -0.894 1.00 0.31 H new ATOM 0 HB VAL A 248 16.939 3.394 -0.860 1.00 0.45 H new ATOM 0 HG11 VAL A 248 16.540 3.797 -3.262 1.00 1.12 H new ATOM 0 HG12 VAL A 248 16.207 2.108 -2.811 1.00 1.12 H new ATOM 0 HG13 VAL A 248 14.860 3.242 -3.070 1.00 1.12 H new ATOM 0 HG21 VAL A 248 16.202 5.614 -1.640 1.00 1.18 H new ATOM 0 HG22 VAL A 248 14.507 5.135 -1.383 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.616 5.261 0.003 1.00 1.18 H new ATOM 465 N PRO A 249 14.668 0.206 -0.324 1.00 0.20 N ATOM 466 CA PRO A 249 15.003 -1.189 -0.170 1.00 0.20 C ATOM 467 C PRO A 249 14.966 -1.981 -1.463 1.00 0.27 C ATOM 468 O PRO A 249 14.515 -1.501 -2.499 1.00 0.34 O ATOM 469 CB PRO A 249 13.897 -1.675 0.769 1.00 0.21 C ATOM 470 CG PRO A 249 12.773 -0.680 0.623 1.00 0.23 C ATOM 471 CD PRO A 249 13.228 0.353 -0.375 1.00 0.22 C ATOM 0 HA PRO A 249 16.023 -1.321 0.190 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.569 -2.679 0.501 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.249 -1.719 1.799 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.863 -1.173 0.280 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.542 -0.215 1.582 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.833 0.159 -1.372 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.910 1.358 -0.096 1.00 0.22 H new ATOM 479 N ASN A 250 15.477 -3.195 -1.396 1.00 0.31 N ATOM 480 CA ASN A 250 15.322 -4.139 -2.469 1.00 0.39 C ATOM 481 C ASN A 250 14.287 -5.197 -2.142 1.00 0.36 C ATOM 482 O ASN A 250 13.985 -5.450 -0.980 1.00 0.35 O ATOM 483 CB ASN A 250 16.655 -4.799 -2.805 1.00 0.51 C ATOM 484 CG ASN A 250 17.438 -5.306 -1.596 1.00 1.13 C ATOM 485 OD1 ASN A 250 18.664 -5.398 -1.645 1.00 1.97 O ATOM 486 ND2 ASN A 250 16.756 -5.628 -0.505 1.00 1.56 N ATOM 0 H ASN A 250 16.007 -3.547 -0.599 1.00 0.31 H new ATOM 0 HA ASN A 250 14.971 -3.583 -3.339 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.471 -5.636 -3.479 1.00 0.51 H new ATOM 0 HB3 ASN A 250 17.273 -4.083 -3.347 1.00 0.51 H new ATOM 0 HD21 ASN A 250 17.248 -5.962 0.324 1.00 1.56 H new ATOM 0 HD22 ASN A 250 15.740 -5.541 -0.495 1.00 1.56 H new ATOM 493 N ALA A 251 13.781 -5.823 -3.185 1.00 0.43 N ATOM 494 CA ALA A 251 12.807 -6.899 -3.064 1.00 0.48 C ATOM 495 C ALA A 251 13.425 -8.136 -2.416 1.00 0.53 C ATOM 496 O ALA A 251 12.726 -9.092 -2.090 1.00 0.60 O ATOM 497 CB ALA A 251 12.231 -7.247 -4.427 1.00 0.59 C ATOM 0 H ALA A 251 14.033 -5.601 -4.148 1.00 0.43 H new ATOM 0 HA ALA A 251 12.000 -6.550 -2.419 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.505 -8.053 -4.320 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.741 -6.370 -4.849 1.00 0.59 H new ATOM 0 HB3 ALA A 251 13.034 -7.568 -5.090 1.00 0.59 H new ATOM 503 N TYR A 252 14.746 -8.128 -2.271 1.00 0.54 N ATOM 504 CA TYR A 252 15.445 -9.200 -1.576 1.00 0.65 C ATOM 505 C TYR A 252 15.228 -9.058 -0.074 1.00 0.60 C ATOM 506 O TYR A 252 15.366 -10.016 0.685 1.00 0.69 O ATOM 507 CB TYR A 252 16.940 -9.172 -1.904 1.00 0.77 C ATOM 508 CG TYR A 252 17.237 -9.194 -3.388 1.00 1.63 C ATOM 509 CD1 TYR A 252 16.508 -10.005 -4.249 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.237 -8.395 -3.927 1.00 2.46 C ATOM 511 CE1 TYR A 252 16.768 -10.018 -5.605 1.00 2.83 C ATOM 512 CE2 TYR A 252 18.500 -8.403 -5.283 1.00 3.46 C ATOM 513 CZ TYR A 252 17.763 -9.215 -6.116 1.00 3.61 C ATOM 514 OH TYR A 252 18.018 -9.220 -7.466 1.00 4.61 O ATOM 0 H TYR A 252 15.354 -7.390 -2.626 1.00 0.54 H new ATOM 0 HA TYR A 252 15.045 -10.158 -1.908 1.00 0.65 H new ATOM 0 HB2 TYR A 252 17.382 -8.277 -1.467 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.423 -10.028 -1.433 1.00 0.77 H new ATOM 0 HD1 TYR A 252 15.726 -10.635 -3.852 1.00 1.89 H new ATOM 0 HD2 TYR A 252 18.818 -7.758 -3.276 1.00 2.46 H new ATOM 0 HE1 TYR A 252 16.194 -10.655 -6.262 1.00 2.83 H new ATOM 0 HE2 TYR A 252 19.280 -7.775 -5.688 1.00 3.46 H new ATOM 0 HH TYR A 252 18.749 -8.598 -7.663 1.00 4.61 H new ATOM 524 N ASP A 253 14.880 -7.843 0.334 1.00 0.50 N ATOM 525 CA ASP A 253 14.539 -7.544 1.712 1.00 0.51 C ATOM 526 C ASP A 253 13.134 -8.017 1.974 1.00 0.48 C ATOM 527 O ASP A 253 12.188 -7.236 1.881 1.00 0.43 O ATOM 528 CB ASP A 253 14.616 -6.036 1.937 1.00 0.49 C ATOM 529 CG ASP A 253 14.268 -5.615 3.354 1.00 0.79 C ATOM 530 OD1 ASP A 253 15.146 -5.684 4.235 1.00 0.85 O ATOM 531 OD2 ASP A 253 13.106 -5.226 3.596 1.00 1.32 O ATOM 0 H ASP A 253 14.827 -7.036 -0.288 1.00 0.50 H new ATOM 0 HA ASP A 253 15.234 -8.045 2.386 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.623 -5.693 1.702 1.00 0.49 H new ATOM 0 HB3 ASP A 253 13.939 -5.538 1.242 1.00 0.49 H new ATOM 536 N LYS A 254 12.995 -9.294 2.306 1.00 0.55 N ATOM 537 CA LYS A 254 11.707 -9.939 2.277 1.00 0.55 C ATOM 538 C LYS A 254 11.158 -9.788 0.874 1.00 0.49 C ATOM 539 O LYS A 254 11.419 -10.623 0.010 1.00 0.54 O ATOM 540 CB LYS A 254 10.753 -9.357 3.331 1.00 0.57 C ATOM 541 CG LYS A 254 11.146 -9.702 4.762 1.00 0.73 C ATOM 542 CD LYS A 254 11.430 -8.461 5.602 1.00 1.32 C ATOM 543 CE LYS A 254 12.804 -7.878 5.304 1.00 1.62 C ATOM 544 NZ LYS A 254 13.898 -8.802 5.702 1.00 2.40 N ATOM 0 H LYS A 254 13.765 -9.897 2.598 1.00 0.55 H new ATOM 0 HA LYS A 254 11.809 -10.995 2.528 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.722 -8.273 3.222 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.745 -9.726 3.140 1.00 0.57 H new ATOM 0 HG2 LYS A 254 10.345 -10.277 5.227 1.00 0.73 H new ATOM 0 HG3 LYS A 254 12.030 -10.339 4.750 1.00 0.73 H new ATOM 0 HD2 LYS A 254 10.666 -7.708 5.408 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.365 -8.716 6.660 1.00 1.32 H new ATOM 0 HE2 LYS A 254 12.882 -7.660 4.239 1.00 1.62 H new ATOM 0 HE3 LYS A 254 12.919 -6.931 5.832 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 14.780 -8.264 5.822 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 13.651 -9.267 6.599 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 14.030 -9.522 4.964 1.00 2.40 H new ATOM 558 N THR A 255 10.414 -8.719 0.649 1.00 0.42 N ATOM 559 CA THR A 255 9.995 -8.357 -0.693 1.00 0.39 C ATOM 560 C THR A 255 10.056 -6.846 -0.940 1.00 0.31 C ATOM 561 O THR A 255 9.707 -6.400 -2.013 1.00 0.32 O ATOM 562 CB THR A 255 8.582 -8.889 -0.985 1.00 0.47 C ATOM 563 OG1 THR A 255 7.707 -8.577 0.112 1.00 0.49 O ATOM 564 CG2 THR A 255 8.615 -10.392 -1.206 1.00 0.60 C ATOM 0 H THR A 255 10.088 -8.086 1.379 1.00 0.42 H new ATOM 0 HA THR A 255 10.701 -8.825 -1.379 1.00 0.39 H new ATOM 0 HB THR A 255 8.210 -8.411 -1.891 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.808 -8.917 -0.080 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.607 -10.752 -1.411 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.262 -10.621 -2.053 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.000 -10.883 -0.312 1.00 0.60 H new ATOM 572 N ALA A 256 10.596 -6.110 0.032 1.00 0.26 N ATOM 573 CA ALA A 256 10.415 -4.650 0.200 1.00 0.21 C ATOM 574 C ALA A 256 10.179 -3.801 -1.064 1.00 0.17 C ATOM 575 O ALA A 256 10.909 -3.888 -2.055 1.00 0.21 O ATOM 576 CB ALA A 256 11.602 -4.097 0.959 1.00 0.23 C ATOM 0 H ALA A 256 11.192 -6.518 0.752 1.00 0.26 H new ATOM 0 HA ALA A 256 9.473 -4.563 0.741 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.481 -3.022 1.090 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.665 -4.577 1.936 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.516 -4.294 0.399 1.00 0.23 H new ATOM 582 N LEU A 257 9.143 -2.940 -0.965 1.00 0.14 N ATOM 583 CA LEU A 257 8.863 -1.887 -1.953 1.00 0.14 C ATOM 584 C LEU A 257 10.003 -0.888 -2.018 1.00 0.13 C ATOM 585 O LEU A 257 10.312 -0.243 -1.019 1.00 0.15 O ATOM 586 CB LEU A 257 7.596 -1.076 -1.590 1.00 0.15 C ATOM 587 CG LEU A 257 6.253 -1.670 -1.975 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.283 -2.165 -3.406 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.864 -2.758 -1.004 1.00 0.21 C ATOM 0 H LEU A 257 8.477 -2.960 -0.192 1.00 0.14 H new ATOM 0 HA LEU A 257 8.727 -2.401 -2.904 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.597 -0.915 -0.512 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.678 -0.095 -2.059 1.00 0.15 H new ATOM 0 HG LEU A 257 5.489 -0.895 -1.918 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.312 -2.588 -3.665 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.507 -1.333 -4.074 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.052 -2.931 -3.510 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.899 -3.175 -1.292 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.618 -3.545 -1.018 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.794 -2.341 0.001 1.00 0.21 H new ATOM 601 N ALA A 258 10.594 -0.721 -3.187 1.00 0.14 N ATOM 602 CA ALA A 258 11.639 0.274 -3.354 1.00 0.16 C ATOM 603 C ALA A 258 11.054 1.612 -3.774 1.00 0.17 C ATOM 604 O ALA A 258 10.769 1.835 -4.950 1.00 0.24 O ATOM 605 CB ALA A 258 12.644 -0.204 -4.380 1.00 0.22 C ATOM 0 H ALA A 258 10.372 -1.255 -4.027 1.00 0.14 H new ATOM 0 HA ALA A 258 12.142 0.411 -2.397 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.425 0.546 -4.501 1.00 0.22 H new ATOM 0 HB2 ALA A 258 13.089 -1.141 -4.044 1.00 0.22 H new ATOM 0 HB3 ALA A 258 12.142 -0.362 -5.335 1.00 0.22 H new ATOM 611 N LEU A 259 10.851 2.491 -2.801 1.00 0.13 N ATOM 612 CA LEU A 259 10.299 3.814 -3.063 1.00 0.15 C ATOM 613 C LEU A 259 10.623 4.758 -1.913 1.00 0.15 C ATOM 614 O LEU A 259 10.974 4.318 -0.822 1.00 0.18 O ATOM 615 CB LEU A 259 8.781 3.733 -3.322 1.00 0.20 C ATOM 616 CG LEU A 259 8.081 2.498 -2.753 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.227 2.436 -1.248 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.619 2.501 -3.129 1.00 0.55 C ATOM 0 H LEU A 259 11.061 2.311 -1.819 1.00 0.13 H new ATOM 0 HA LEU A 259 10.761 4.214 -3.965 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.310 4.622 -2.902 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.612 3.761 -4.398 1.00 0.20 H new ATOM 0 HG LEU A 259 8.557 1.616 -3.182 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.720 1.548 -0.870 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.284 2.389 -0.987 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.782 3.326 -0.802 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.135 1.616 -2.716 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.142 3.395 -2.728 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.523 2.494 -4.215 1.00 0.55 H new ATOM 630 N GLU A 260 10.493 6.045 -2.159 1.00 0.18 N ATOM 631 CA GLU A 260 10.789 7.056 -1.174 1.00 0.24 C ATOM 632 C GLU A 260 9.526 7.834 -0.830 1.00 0.20 C ATOM 633 O GLU A 260 8.525 7.747 -1.530 1.00 0.21 O ATOM 634 CB GLU A 260 11.893 7.981 -1.718 1.00 0.39 C ATOM 635 CG GLU A 260 11.750 9.453 -1.342 1.00 0.52 C ATOM 636 CD GLU A 260 12.891 10.298 -1.858 1.00 0.96 C ATOM 637 OE1 GLU A 260 13.964 10.302 -1.223 1.00 1.74 O ATOM 638 OE2 GLU A 260 12.727 10.963 -2.903 1.00 1.27 O ATOM 0 H GLU A 260 10.177 6.418 -3.054 1.00 0.18 H new ATOM 0 HA GLU A 260 11.149 6.591 -0.256 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.857 7.622 -1.356 1.00 0.39 H new ATOM 0 HB3 GLU A 260 11.910 7.900 -2.805 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.810 9.836 -1.740 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.697 9.544 -0.257 1.00 0.52 H new ATOM 645 N VAL A 261 9.574 8.544 0.282 1.00 0.33 N ATOM 646 CA VAL A 261 8.541 9.500 0.644 1.00 0.32 C ATOM 647 C VAL A 261 8.256 10.427 -0.540 1.00 0.22 C ATOM 648 O VAL A 261 9.176 10.914 -1.200 1.00 0.28 O ATOM 649 CB VAL A 261 8.985 10.316 1.868 1.00 0.43 C ATOM 650 CG1 VAL A 261 10.318 9.816 2.361 1.00 0.92 C ATOM 651 CG2 VAL A 261 8.996 11.814 1.610 1.00 0.93 C ATOM 0 H VAL A 261 10.331 8.475 0.962 1.00 0.33 H new ATOM 0 HA VAL A 261 7.628 8.962 0.898 1.00 0.32 H new ATOM 0 HB VAL A 261 8.244 10.165 2.653 1.00 0.43 H new ATOM 0 HG11 VAL A 261 10.627 10.399 3.229 1.00 0.92 H new ATOM 0 HG12 VAL A 261 10.232 8.766 2.641 1.00 0.92 H new ATOM 0 HG13 VAL A 261 11.061 9.921 1.570 1.00 0.92 H new ATOM 0 HG21 VAL A 261 9.318 12.336 2.511 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.685 12.038 0.795 1.00 0.93 H new ATOM 0 HG23 VAL A 261 7.993 12.144 1.338 1.00 0.93 H new ATOM 661 N GLY A 262 6.995 10.647 -0.835 1.00 0.17 N ATOM 662 CA GLY A 262 6.665 11.484 -1.950 1.00 0.20 C ATOM 663 C GLY A 262 6.232 10.675 -3.147 1.00 0.22 C ATOM 664 O GLY A 262 5.885 11.228 -4.190 1.00 0.31 O ATOM 0 H GLY A 262 6.199 10.263 -0.325 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.867 12.170 -1.666 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.529 12.093 -2.216 1.00 0.20 H new ATOM 668 N GLU A 263 6.231 9.358 -2.996 1.00 0.16 N ATOM 669 CA GLU A 263 5.957 8.474 -4.107 1.00 0.18 C ATOM 670 C GLU A 263 4.716 7.654 -3.821 1.00 0.15 C ATOM 671 O GLU A 263 4.214 7.656 -2.703 1.00 0.19 O ATOM 672 CB GLU A 263 7.158 7.568 -4.382 1.00 0.23 C ATOM 673 CG GLU A 263 8.474 8.328 -4.427 1.00 0.26 C ATOM 674 CD GLU A 263 9.531 7.630 -5.251 1.00 0.61 C ATOM 675 OE1 GLU A 263 10.213 6.739 -4.706 1.00 1.02 O ATOM 676 OE2 GLU A 263 9.673 7.949 -6.447 1.00 1.04 O ATOM 0 H GLU A 263 6.418 8.883 -2.113 1.00 0.16 H new ATOM 0 HA GLU A 263 5.778 9.074 -4.999 1.00 0.18 H new ATOM 0 HB2 GLU A 263 7.213 6.802 -3.609 1.00 0.23 H new ATOM 0 HB3 GLU A 263 7.009 7.053 -5.331 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.299 9.322 -4.838 1.00 0.26 H new ATOM 0 HG3 GLU A 263 8.844 8.463 -3.411 1.00 0.26 H new ATOM 683 N LEU A 264 4.222 6.952 -4.817 1.00 0.14 N ATOM 684 CA LEU A 264 2.962 6.248 -4.681 1.00 0.13 C ATOM 685 C LEU A 264 3.150 4.762 -4.933 1.00 0.15 C ATOM 686 O LEU A 264 4.099 4.352 -5.601 1.00 0.24 O ATOM 687 CB LEU A 264 1.945 6.823 -5.666 1.00 0.15 C ATOM 688 CG LEU A 264 0.499 6.366 -5.472 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.119 7.067 -4.279 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.312 6.627 -6.731 1.00 0.18 C ATOM 0 H LEU A 264 4.670 6.852 -5.728 1.00 0.14 H new ATOM 0 HA LEU A 264 2.594 6.379 -3.664 1.00 0.13 H new ATOM 0 HB2 LEU A 264 1.975 7.910 -5.597 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.257 6.559 -6.677 1.00 0.15 H new ATOM 0 HG LEU A 264 0.494 5.293 -5.279 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.149 6.732 -4.153 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.452 6.830 -3.381 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.106 8.144 -4.443 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.339 6.296 -6.577 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.304 7.694 -6.954 1.00 0.18 H new ATOM 0 HD23 LEU A 264 0.125 6.078 -7.565 1.00 0.18 H new ATOM 702 N VAL A 265 2.246 3.959 -4.404 1.00 0.14 N ATOM 703 CA VAL A 265 2.302 2.525 -4.593 1.00 0.15 C ATOM 704 C VAL A 265 0.884 2.005 -4.740 1.00 0.15 C ATOM 705 O VAL A 265 -0.043 2.594 -4.198 1.00 0.27 O ATOM 706 CB VAL A 265 3.019 1.828 -3.401 1.00 0.20 C ATOM 707 CG1 VAL A 265 2.039 1.186 -2.434 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.986 0.783 -3.888 1.00 0.41 C ATOM 0 H VAL A 265 1.461 4.280 -3.837 1.00 0.14 H new ATOM 0 HA VAL A 265 2.877 2.300 -5.491 1.00 0.15 H new ATOM 0 HB VAL A 265 3.561 2.611 -2.871 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.588 0.713 -1.620 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.375 1.949 -2.028 1.00 0.40 H new ATOM 0 HG13 VAL A 265 1.449 0.434 -2.959 1.00 0.40 H new ATOM 0 HG21 VAL A 265 4.473 0.312 -3.034 1.00 0.41 H new ATOM 0 HG22 VAL A 265 3.448 0.028 -4.461 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.739 1.251 -4.522 1.00 0.41 H new ATOM 718 N LYS A 266 0.700 0.940 -5.489 1.00 0.13 N ATOM 719 CA LYS A 266 -0.605 0.321 -5.572 1.00 0.15 C ATOM 720 C LYS A 266 -0.590 -0.922 -4.710 1.00 0.13 C ATOM 721 O LYS A 266 -0.046 -1.952 -5.101 1.00 0.14 O ATOM 722 CB LYS A 266 -0.975 -0.024 -7.026 1.00 0.24 C ATOM 723 CG LYS A 266 -2.371 -0.609 -7.190 1.00 0.85 C ATOM 724 CD LYS A 266 -2.352 -2.125 -7.278 1.00 0.49 C ATOM 725 CE LYS A 266 -1.605 -2.600 -8.518 1.00 0.82 C ATOM 726 NZ LYS A 266 -1.727 -4.067 -8.723 1.00 1.32 N ATOM 0 H LYS A 266 1.428 0.489 -6.043 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.363 1.018 -5.214 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.897 0.878 -7.633 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.247 -0.735 -7.416 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -2.992 -0.304 -6.348 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -2.831 -0.200 -8.090 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.879 -2.537 -6.386 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -3.374 -2.503 -7.300 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -1.992 -2.080 -9.394 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -0.552 -2.334 -8.429 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -0.779 -4.488 -8.791 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -2.236 -4.489 -7.920 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -2.252 -4.252 -9.601 1.00 1.32 H new ATOM 740 N VAL A 267 -1.160 -0.817 -3.526 1.00 0.16 N ATOM 741 CA VAL A 267 -1.194 -1.937 -2.618 1.00 0.16 C ATOM 742 C VAL A 267 -2.218 -2.948 -3.122 1.00 0.17 C ATOM 743 O VAL A 267 -3.427 -2.759 -2.978 1.00 0.25 O ATOM 744 CB VAL A 267 -1.535 -1.516 -1.170 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.334 -2.669 -0.227 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.708 -0.325 -0.711 1.00 0.63 C ATOM 0 H VAL A 267 -1.604 0.032 -3.174 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.198 -2.379 -2.591 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.583 -1.217 -1.161 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.578 -2.356 0.788 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -1.983 -3.495 -0.518 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.294 -2.994 -0.266 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -0.981 -0.065 0.312 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.351 -0.581 -0.750 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -0.900 0.525 -1.366 1.00 0.63 H new ATOM 756 N THR A 268 -1.716 -4.003 -3.744 1.00 0.15 N ATOM 757 CA THR A 268 -2.548 -5.032 -4.327 1.00 0.19 C ATOM 758 C THR A 268 -3.107 -5.922 -3.227 1.00 0.22 C ATOM 759 O THR A 268 -4.143 -6.567 -3.377 1.00 0.34 O ATOM 760 CB THR A 268 -1.723 -5.887 -5.314 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.548 -6.868 -5.955 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.565 -6.570 -4.593 1.00 0.29 C ATOM 0 H THR A 268 -0.715 -4.166 -3.857 1.00 0.15 H new ATOM 0 HA THR A 268 -3.369 -4.560 -4.866 1.00 0.19 H new ATOM 0 HB THR A 268 -1.320 -5.222 -6.078 1.00 0.24 H new ATOM 0 HG1 THR A 268 -2.005 -7.397 -6.576 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.005 -7.168 -5.304 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.085 -5.815 -4.151 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.956 -7.216 -3.807 1.00 0.29 H new ATOM 770 N LYS A 269 -2.417 -5.913 -2.101 1.00 0.18 N ATOM 771 CA LYS A 269 -2.692 -6.785 -1.017 1.00 0.20 C ATOM 772 C LYS A 269 -3.412 -6.005 0.060 1.00 0.22 C ATOM 773 O LYS A 269 -2.843 -5.120 0.672 1.00 0.35 O ATOM 774 CB LYS A 269 -1.343 -7.334 -0.566 1.00 0.23 C ATOM 775 CG LYS A 269 -1.380 -8.256 0.617 1.00 0.40 C ATOM 776 CD LYS A 269 -1.496 -7.485 1.893 1.00 1.55 C ATOM 777 CE LYS A 269 -2.174 -8.298 2.948 1.00 2.25 C ATOM 778 NZ LYS A 269 -1.438 -9.555 3.254 1.00 2.84 N ATOM 0 H LYS A 269 -1.637 -5.279 -1.929 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.344 -7.618 -1.280 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.889 -7.864 -1.403 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.690 -6.494 -0.329 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -2.223 -8.940 0.523 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -0.476 -8.865 0.637 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.504 -7.191 2.236 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -2.058 -6.567 1.718 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -2.267 -7.704 3.857 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -3.185 -8.542 2.622 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -1.355 -9.666 4.285 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -1.956 -10.366 2.859 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -0.488 -9.512 2.833 1.00 2.84 H new ATOM 792 N ILE A 270 -4.671 -6.307 0.266 1.00 0.33 N ATOM 793 CA ILE A 270 -5.447 -5.583 1.251 1.00 0.39 C ATOM 794 C ILE A 270 -5.563 -6.411 2.523 1.00 0.55 C ATOM 795 O ILE A 270 -5.556 -7.640 2.464 1.00 0.73 O ATOM 796 CB ILE A 270 -6.849 -5.219 0.719 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.636 -6.482 0.358 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.726 -4.305 -0.493 1.00 1.09 C ATOM 799 CD1 ILE A 270 -9.048 -6.211 -0.115 1.00 1.90 C ATOM 0 H ILE A 270 -5.179 -7.041 -0.228 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.928 -4.650 1.470 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.392 -4.693 1.504 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -7.099 -7.022 -0.422 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -7.674 -7.136 1.229 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.721 -4.054 -0.861 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.203 -3.392 -0.209 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.166 -4.814 -1.278 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -9.540 -7.155 -0.351 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -9.603 -5.699 0.671 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -9.019 -5.584 -1.006 1.00 1.90 H new ATOM 811 N ASN A 271 -5.630 -5.751 3.671 1.00 0.60 N ATOM 812 CA ASN A 271 -5.697 -6.463 4.942 1.00 0.82 C ATOM 813 C ASN A 271 -6.341 -5.604 6.026 1.00 0.70 C ATOM 814 O ASN A 271 -6.653 -4.434 5.809 1.00 0.87 O ATOM 815 CB ASN A 271 -4.298 -6.887 5.382 1.00 1.17 C ATOM 816 CG ASN A 271 -3.539 -5.752 6.021 1.00 1.58 C ATOM 817 OD1 ASN A 271 -3.419 -5.675 7.241 1.00 2.28 O ATOM 818 ND2 ASN A 271 -3.064 -4.839 5.202 1.00 1.88 N ATOM 0 H ASN A 271 -5.639 -4.734 3.750 1.00 0.60 H new ATOM 0 HA ASN A 271 -6.316 -7.349 4.796 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -4.375 -7.714 6.088 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.742 -7.254 4.519 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.573 -4.026 5.574 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -3.187 -4.944 4.195 1.00 1.88 H new ATOM 825 N MET A 272 -6.504 -6.200 7.196 1.00 0.81 N ATOM 826 CA MET A 272 -7.208 -5.583 8.311 1.00 0.97 C ATOM 827 C MET A 272 -6.301 -4.702 9.169 1.00 1.02 C ATOM 828 O MET A 272 -6.721 -3.650 9.652 1.00 1.22 O ATOM 829 CB MET A 272 -7.808 -6.680 9.193 1.00 1.24 C ATOM 830 CG MET A 272 -6.768 -7.675 9.702 1.00 1.30 C ATOM 831 SD MET A 272 -6.242 -8.855 8.441 1.00 2.03 S ATOM 832 CE MET A 272 -5.019 -9.801 9.347 1.00 2.52 C ATOM 0 H MET A 272 -6.149 -7.134 7.401 1.00 0.81 H new ATOM 0 HA MET A 272 -7.984 -4.944 7.890 1.00 0.97 H new ATOM 0 HB2 MET A 272 -8.309 -6.220 10.045 1.00 1.24 H new ATOM 0 HB3 MET A 272 -8.569 -7.217 8.627 1.00 1.24 H new ATOM 0 HG2 MET A 272 -5.898 -7.128 10.065 1.00 1.30 H new ATOM 0 HG3 MET A 272 -7.180 -8.220 10.552 1.00 1.30 H new ATOM 0 HE1 MET A 272 -4.602 -10.572 8.699 1.00 2.52 H new ATOM 0 HE2 MET A 272 -4.221 -9.138 9.682 1.00 2.52 H new ATOM 0 HE3 MET A 272 -5.489 -10.269 10.212 1.00 2.52 H new ATOM 842 N SER A 273 -5.063 -5.127 9.344 1.00 0.93 N ATOM 843 CA SER A 273 -4.184 -4.536 10.346 1.00 1.02 C ATOM 844 C SER A 273 -3.406 -3.346 9.797 1.00 0.91 C ATOM 845 O SER A 273 -2.586 -2.756 10.504 1.00 1.14 O ATOM 846 CB SER A 273 -3.201 -5.594 10.854 1.00 1.14 C ATOM 847 OG SER A 273 -3.852 -6.831 11.097 1.00 1.50 O ATOM 0 H SER A 273 -4.639 -5.882 8.805 1.00 0.93 H new ATOM 0 HA SER A 273 -4.811 -4.176 11.162 1.00 1.02 H new ATOM 0 HB2 SER A 273 -2.407 -5.737 10.121 1.00 1.14 H new ATOM 0 HB3 SER A 273 -2.729 -5.243 11.772 1.00 1.14 H new ATOM 0 HG SER A 273 -3.199 -7.487 11.419 1.00 1.50 H new ATOM 853 N GLY A 274 -3.659 -2.992 8.547 1.00 0.64 N ATOM 854 CA GLY A 274 -2.891 -1.940 7.919 1.00 0.61 C ATOM 855 C GLY A 274 -1.529 -2.443 7.482 1.00 0.49 C ATOM 856 O GLY A 274 -0.671 -1.670 7.075 1.00 0.57 O ATOM 0 H GLY A 274 -4.379 -3.412 7.959 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.434 -1.555 7.056 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.769 -1.110 8.615 1.00 0.61 H new ATOM 860 N GLN A 275 -1.342 -3.755 7.559 1.00 0.41 N ATOM 861 CA GLN A 275 -0.065 -4.370 7.224 1.00 0.40 C ATOM 862 C GLN A 275 -0.187 -5.057 5.874 1.00 0.32 C ATOM 863 O GLN A 275 -0.444 -6.260 5.800 1.00 0.41 O ATOM 864 CB GLN A 275 0.306 -5.392 8.308 1.00 0.56 C ATOM 865 CG GLN A 275 1.686 -6.014 8.146 1.00 0.69 C ATOM 866 CD GLN A 275 2.813 -5.068 8.510 1.00 0.76 C ATOM 867 OE1 GLN A 275 3.912 -5.165 7.969 1.00 1.36 O ATOM 868 NE2 GLN A 275 2.554 -4.154 9.436 1.00 0.81 N ATOM 0 H GLN A 275 -2.062 -4.415 7.852 1.00 0.41 H new ATOM 0 HA GLN A 275 0.716 -3.611 7.172 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.253 -4.905 9.282 1.00 0.56 H new ATOM 0 HB3 GLN A 275 -0.439 -6.188 8.309 1.00 0.56 H new ATOM 0 HG2 GLN A 275 1.752 -6.905 8.771 1.00 0.69 H new ATOM 0 HG3 GLN A 275 1.812 -6.339 7.113 1.00 0.69 H new ATOM 0 HE21 GLN A 275 1.628 -4.107 9.861 1.00 0.81 H new ATOM 0 HE22 GLN A 275 3.281 -3.499 9.723 1.00 0.81 H new ATOM 877 N TRP A 276 -0.059 -4.288 4.802 1.00 0.22 N ATOM 878 CA TRP A 276 -0.287 -4.826 3.478 1.00 0.17 C ATOM 879 C TRP A 276 0.977 -4.903 2.656 1.00 0.15 C ATOM 880 O TRP A 276 2.048 -4.451 3.069 1.00 0.19 O ATOM 881 CB TRP A 276 -1.318 -4.002 2.714 1.00 0.18 C ATOM 882 CG TRP A 276 -1.504 -2.595 3.214 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.535 -1.641 3.354 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.735 -1.974 3.607 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.084 -0.477 3.827 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.431 -0.653 3.987 1.00 0.31 C ATOM 887 CE3 TRP A 276 -4.063 -2.406 3.679 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.403 0.236 4.433 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -5.028 -1.521 4.123 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.693 -0.213 4.493 1.00 0.47 C ATOM 0 H TRP A 276 0.199 -3.301 4.826 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.662 -5.838 3.631 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -1.025 -3.963 1.665 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.278 -4.517 2.758 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.511 -1.783 3.125 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.571 0.381 4.027 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.330 -3.413 3.393 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.148 1.245 4.722 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -6.057 -1.844 4.185 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.470 0.456 4.833 1.00 0.47 H new ATOM 901 N GLU A 277 0.814 -5.459 1.470 1.00 0.12 N ATOM 902 CA GLU A 277 1.892 -5.624 0.548 1.00 0.12 C ATOM 903 C GLU A 277 1.699 -4.650 -0.580 1.00 0.11 C ATOM 904 O GLU A 277 0.648 -4.630 -1.196 1.00 0.12 O ATOM 905 CB GLU A 277 1.887 -7.032 -0.025 1.00 0.14 C ATOM 906 CG GLU A 277 2.551 -8.094 0.842 1.00 0.19 C ATOM 907 CD GLU A 277 1.834 -8.394 2.144 1.00 1.21 C ATOM 908 OE1 GLU A 277 2.061 -7.668 3.134 1.00 2.07 O ATOM 909 OE2 GLU A 277 1.016 -9.328 2.184 1.00 1.55 O ATOM 0 H GLU A 277 -0.082 -5.807 1.129 1.00 0.12 H new ATOM 0 HA GLU A 277 2.837 -5.451 1.062 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.854 -7.329 -0.205 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.387 -7.013 -0.993 1.00 0.14 H new ATOM 0 HG2 GLU A 277 2.629 -9.016 0.266 1.00 0.19 H new ATOM 0 HG3 GLU A 277 3.568 -7.773 1.069 1.00 0.19 H new ATOM 916 N GLY A 278 2.708 -3.876 -0.868 1.00 0.13 N ATOM 917 CA GLY A 278 2.579 -2.896 -1.906 1.00 0.12 C ATOM 918 C GLY A 278 3.098 -3.422 -3.205 1.00 0.12 C ATOM 919 O GLY A 278 3.785 -4.443 -3.242 1.00 0.15 O ATOM 0 H GLY A 278 3.616 -3.904 -0.405 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.532 -2.613 -2.016 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.126 -1.994 -1.630 1.00 0.12 H new ATOM 923 N GLU A 279 2.767 -2.736 -4.265 1.00 0.11 N ATOM 924 CA GLU A 279 3.339 -3.027 -5.547 1.00 0.14 C ATOM 925 C GLU A 279 3.527 -1.716 -6.296 1.00 0.17 C ATOM 926 O GLU A 279 2.560 -1.017 -6.595 1.00 0.20 O ATOM 927 CB GLU A 279 2.407 -3.970 -6.306 1.00 0.20 C ATOM 928 CG GLU A 279 2.991 -4.539 -7.583 1.00 0.31 C ATOM 929 CD GLU A 279 2.098 -5.604 -8.175 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.153 -5.249 -8.906 1.00 1.27 O ATOM 931 OE2 GLU A 279 2.350 -6.802 -7.925 1.00 2.07 O ATOM 0 H GLU A 279 2.098 -1.966 -4.263 1.00 0.11 H new ATOM 0 HA GLU A 279 4.307 -3.516 -5.443 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.132 -4.795 -5.649 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.489 -3.435 -6.548 1.00 0.20 H new ATOM 0 HG2 GLU A 279 3.133 -3.738 -8.308 1.00 0.31 H new ATOM 0 HG3 GLU A 279 3.975 -4.961 -7.378 1.00 0.31 H new ATOM 938 N CYS A 280 4.766 -1.379 -6.595 1.00 0.20 N ATOM 939 CA CYS A 280 5.047 -0.154 -7.312 1.00 0.27 C ATOM 940 C CYS A 280 5.485 -0.469 -8.710 1.00 0.29 C ATOM 941 O CYS A 280 6.677 -0.636 -8.966 1.00 0.33 O ATOM 942 CB CYS A 280 6.138 0.658 -6.607 1.00 0.39 C ATOM 943 SG CYS A 280 6.404 2.304 -7.305 1.00 0.51 S ATOM 0 H CYS A 280 5.588 -1.933 -6.354 1.00 0.20 H new ATOM 0 HA CYS A 280 4.133 0.440 -7.338 1.00 0.27 H new ATOM 0 HB2 CYS A 280 5.876 0.760 -5.554 1.00 0.39 H new ATOM 0 HB3 CYS A 280 7.074 0.102 -6.650 1.00 0.39 H new ATOM 0 HG CYS A 280 5.593 3.150 -6.742 1.00 0.51 H new ATOM 949 N ASN A 281 4.504 -0.504 -9.603 1.00 0.37 N ATOM 950 CA ASN A 281 4.712 -0.814 -11.012 1.00 0.49 C ATOM 951 C ASN A 281 5.832 -1.835 -11.197 1.00 0.45 C ATOM 952 O ASN A 281 6.736 -1.663 -12.017 1.00 0.53 O ATOM 953 CB ASN A 281 4.969 0.468 -11.805 1.00 0.63 C ATOM 954 CG ASN A 281 3.853 1.478 -11.600 1.00 0.80 C ATOM 955 OD1 ASN A 281 3.976 2.407 -10.800 1.00 1.44 O ATOM 956 ND2 ASN A 281 2.736 1.280 -12.288 1.00 0.97 N ATOM 0 H ASN A 281 3.530 -0.316 -9.366 1.00 0.37 H new ATOM 0 HA ASN A 281 3.803 -1.272 -11.403 1.00 0.49 H new ATOM 0 HB2 ASN A 281 5.919 0.905 -11.496 1.00 0.63 H new ATOM 0 HB3 ASN A 281 5.057 0.231 -12.865 1.00 0.63 H new ATOM 0 HD21 ASN A 281 1.942 1.908 -12.163 1.00 0.97 H new ATOM 0 HD22 ASN A 281 2.671 0.500 -12.942 1.00 0.97 H new ATOM 963 N GLY A 282 5.742 -2.907 -10.420 1.00 0.37 N ATOM 964 CA GLY A 282 6.662 -4.004 -10.546 1.00 0.39 C ATOM 965 C GLY A 282 7.670 -4.135 -9.417 1.00 0.34 C ATOM 966 O GLY A 282 8.513 -5.030 -9.450 1.00 0.46 O ATOM 0 H GLY A 282 5.034 -3.030 -9.696 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.091 -4.930 -10.612 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.204 -3.897 -11.485 1.00 0.39 H new ATOM 970 N LYS A 283 7.620 -3.255 -8.427 1.00 0.25 N ATOM 971 CA LYS A 283 8.213 -3.578 -7.145 1.00 0.23 C ATOM 972 C LYS A 283 7.116 -4.104 -6.251 1.00 0.14 C ATOM 973 O LYS A 283 5.999 -3.609 -6.292 1.00 0.17 O ATOM 974 CB LYS A 283 8.878 -2.372 -6.486 1.00 0.33 C ATOM 975 CG LYS A 283 9.768 -1.594 -7.419 1.00 0.74 C ATOM 976 CD LYS A 283 9.504 -0.118 -7.261 1.00 0.61 C ATOM 977 CE LYS A 283 10.564 0.713 -7.940 1.00 1.28 C ATOM 978 NZ LYS A 283 10.367 0.811 -9.414 1.00 1.93 N ATOM 0 H LYS A 283 7.185 -2.334 -8.486 1.00 0.25 H new ATOM 0 HA LYS A 283 8.996 -4.321 -7.300 1.00 0.23 H new ATOM 0 HB2 LYS A 283 8.106 -1.709 -6.096 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.467 -2.712 -5.634 1.00 0.33 H new ATOM 0 HG2 LYS A 283 10.814 -1.811 -7.204 1.00 0.74 H new ATOM 0 HG3 LYS A 283 9.585 -1.898 -8.450 1.00 0.74 H new ATOM 0 HD2 LYS A 283 8.527 0.124 -7.680 1.00 0.61 H new ATOM 0 HD3 LYS A 283 9.467 0.134 -6.201 1.00 0.61 H new ATOM 0 HE2 LYS A 283 10.563 1.715 -7.511 1.00 1.28 H new ATOM 0 HE3 LYS A 283 11.544 0.280 -7.737 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 11.123 1.393 -9.827 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 10.395 -0.141 -9.832 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 9.445 1.250 -9.613 1.00 1.93 H new ATOM 992 N ARG A 284 7.428 -5.102 -5.473 1.00 0.16 N ATOM 993 CA ARG A 284 6.482 -5.689 -4.548 1.00 0.12 C ATOM 994 C ARG A 284 7.021 -5.453 -3.149 1.00 0.13 C ATOM 995 O ARG A 284 8.066 -4.835 -3.017 1.00 0.20 O ATOM 996 CB ARG A 284 6.330 -7.186 -4.833 1.00 0.18 C ATOM 997 CG ARG A 284 5.226 -7.883 -4.046 1.00 0.21 C ATOM 998 CD ARG A 284 3.851 -7.622 -4.638 1.00 0.26 C ATOM 999 NE ARG A 284 2.856 -8.548 -4.098 1.00 0.41 N ATOM 1000 CZ ARG A 284 1.822 -9.025 -4.791 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.607 -8.629 -6.043 1.00 0.57 N ATOM 1002 NH2 ARG A 284 0.999 -9.906 -4.227 1.00 0.67 N ATOM 0 H ARG A 284 8.350 -5.538 -5.458 1.00 0.16 H new ATOM 0 HA ARG A 284 5.496 -5.237 -4.653 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.137 -7.320 -5.897 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.277 -7.680 -4.616 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.415 -8.956 -4.029 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.246 -7.540 -3.012 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.550 -6.596 -4.425 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.894 -7.723 -5.722 1.00 0.26 H new ATOM 0 HE ARG A 284 2.960 -8.848 -3.129 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.236 -7.955 -6.480 1.00 0.57 H new ATOM 0 HH12 ARG A 284 0.813 -8.999 -6.566 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.161 -10.214 -3.268 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.207 -10.273 -4.754 1.00 0.67 H new ATOM 1016 N GLY A 285 6.282 -5.829 -2.119 1.00 0.14 N ATOM 1017 CA GLY A 285 6.853 -5.859 -0.791 1.00 0.18 C ATOM 1018 C GLY A 285 5.783 -5.756 0.250 1.00 0.14 C ATOM 1019 O GLY A 285 4.630 -5.972 -0.061 1.00 0.15 O ATOM 0 H GLY A 285 5.304 -6.112 -2.177 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.414 -6.783 -0.652 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.559 -5.037 -0.675 1.00 0.18 H new ATOM 1023 N HIS A 286 6.145 -5.413 1.469 1.00 0.15 N ATOM 1024 CA HIS A 286 5.155 -5.210 2.513 1.00 0.13 C ATOM 1025 C HIS A 286 5.587 -4.098 3.456 1.00 0.15 C ATOM 1026 O HIS A 286 6.706 -4.101 3.968 1.00 0.20 O ATOM 1027 CB HIS A 286 4.851 -6.512 3.274 1.00 0.18 C ATOM 1028 CG HIS A 286 6.031 -7.220 3.874 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.896 -8.332 4.675 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.361 -7.001 3.770 1.00 0.67 C ATOM 1031 CE1 HIS A 286 7.086 -8.765 5.032 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.996 -7.975 4.499 1.00 0.52 N ATOM 0 H HIS A 286 7.111 -5.269 1.763 1.00 0.15 H new ATOM 0 HA HIS A 286 4.226 -4.902 2.034 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.145 -6.285 4.073 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.350 -7.199 2.592 1.00 0.18 H new ATOM 0 HD1 HIS A 286 5.009 -8.755 4.949 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.836 -6.206 3.215 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.284 -9.623 5.657 1.00 0.65 H new ATOM 1041 N PHE A 287 4.696 -3.139 3.648 1.00 0.14 N ATOM 1042 CA PHE A 287 4.976 -1.961 4.462 1.00 0.17 C ATOM 1043 C PHE A 287 3.696 -1.457 5.123 1.00 0.20 C ATOM 1044 O PHE A 287 2.711 -1.172 4.442 1.00 0.29 O ATOM 1045 CB PHE A 287 5.614 -0.847 3.616 1.00 0.20 C ATOM 1046 CG PHE A 287 7.061 -1.082 3.293 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.022 -1.024 4.287 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.458 -1.340 1.994 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.354 -1.223 3.990 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.789 -1.536 1.691 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.739 -1.478 2.689 1.00 0.30 C ATOM 0 H PHE A 287 3.759 -3.152 3.246 1.00 0.14 H new ATOM 0 HA PHE A 287 5.685 -2.246 5.239 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.056 -0.746 2.685 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.520 0.099 4.148 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.726 -0.821 5.306 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.718 -1.389 1.209 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.095 -1.179 4.774 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.087 -1.735 0.672 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.782 -1.632 2.453 1.00 0.30 H new ATOM 1061 N PRO A 288 3.705 -1.353 6.464 1.00 0.22 N ATOM 1062 CA PRO A 288 2.522 -0.983 7.259 1.00 0.26 C ATOM 1063 C PRO A 288 1.947 0.404 6.939 1.00 0.24 C ATOM 1064 O PRO A 288 2.574 1.233 6.269 1.00 0.28 O ATOM 1065 CB PRO A 288 3.029 -1.015 8.707 1.00 0.33 C ATOM 1066 CG PRO A 288 4.511 -0.944 8.607 1.00 0.54 C ATOM 1067 CD PRO A 288 4.870 -1.623 7.319 1.00 0.32 C ATOM 0 HA PRO A 288 1.700 -1.667 7.048 1.00 0.26 H new ATOM 0 HB2 PRO A 288 2.633 -0.177 9.281 1.00 0.33 H new ATOM 0 HB3 PRO A 288 2.712 -1.926 9.214 1.00 0.33 H new ATOM 0 HG2 PRO A 288 4.853 0.091 8.611 1.00 0.54 H new ATOM 0 HG3 PRO A 288 4.984 -1.440 9.455 1.00 0.54 H new ATOM 0 HD2 PRO A 288 5.787 -1.217 6.891 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.029 -2.692 7.458 1.00 0.32 H new ATOM 1075 N PHE A 289 0.749 0.637 7.469 1.00 0.31 N ATOM 1076 CA PHE A 289 -0.014 1.862 7.250 1.00 0.37 C ATOM 1077 C PHE A 289 0.581 3.019 8.058 1.00 0.33 C ATOM 1078 O PHE A 289 0.223 4.182 7.873 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.463 1.609 7.685 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.502 2.483 7.034 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.107 3.494 6.176 1.00 0.84 C ATOM 1082 CD2 PHE A 289 -3.856 2.307 7.277 1.00 1.07 C ATOM 1083 CE1 PHE A 289 -3.036 4.313 5.572 1.00 0.81 C ATOM 1084 CE2 PHE A 289 -4.792 3.123 6.675 1.00 1.12 C ATOM 1085 CZ PHE A 289 -4.454 4.060 5.844 1.00 0.50 C ATOM 0 H PHE A 289 0.273 -0.033 8.074 1.00 0.31 H new ATOM 0 HA PHE A 289 0.023 2.135 6.195 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.709 0.568 7.477 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.527 1.742 8.765 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -1.056 3.643 5.977 1.00 0.84 H new ATOM 0 HD2 PHE A 289 -4.181 1.523 7.945 1.00 1.07 H new ATOM 0 HE1 PHE A 289 -2.729 5.116 4.919 1.00 0.81 H new ATOM 0 HE2 PHE A 289 -5.838 2.977 6.903 1.00 1.12 H new ATOM 0 HZ PHE A 289 -5.214 4.651 5.355 1.00 0.50 H new ATOM 1095 N THR A 290 1.513 2.685 8.934 1.00 0.33 N ATOM 1096 CA THR A 290 2.053 3.614 9.911 1.00 0.41 C ATOM 1097 C THR A 290 2.912 4.725 9.302 1.00 0.38 C ATOM 1098 O THR A 290 3.413 5.586 10.026 1.00 0.57 O ATOM 1099 CB THR A 290 2.894 2.836 10.930 1.00 0.51 C ATOM 1100 OG1 THR A 290 3.743 1.911 10.234 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.008 2.083 11.912 1.00 0.61 C ATOM 0 H THR A 290 1.920 1.751 8.987 1.00 0.33 H new ATOM 0 HA THR A 290 1.199 4.102 10.381 1.00 0.41 H new ATOM 0 HB THR A 290 3.499 3.545 11.496 1.00 0.51 H new ATOM 0 HG1 THR A 290 4.284 1.413 10.882 1.00 0.50 H new ATOM 0 HG21 THR A 290 2.632 1.541 12.623 1.00 0.61 H new ATOM 0 HG22 THR A 290 1.377 2.791 12.450 1.00 0.61 H new ATOM 0 HG23 THR A 290 1.380 1.377 11.368 1.00 0.61 H new ATOM 1109 N HIS A 291 3.086 4.723 7.986 1.00 0.25 N ATOM 1110 CA HIS A 291 3.943 5.718 7.348 1.00 0.26 C ATOM 1111 C HIS A 291 3.610 5.868 5.871 1.00 0.23 C ATOM 1112 O HIS A 291 4.468 6.200 5.047 1.00 0.26 O ATOM 1113 CB HIS A 291 5.438 5.400 7.563 1.00 0.35 C ATOM 1114 CG HIS A 291 5.893 4.016 7.183 1.00 0.40 C ATOM 1115 ND1 HIS A 291 7.193 3.737 6.821 1.00 1.01 N ATOM 1116 CD2 HIS A 291 5.241 2.830 7.154 1.00 1.26 C ATOM 1117 CE1 HIS A 291 7.317 2.449 6.584 1.00 0.72 C ATOM 1118 NE2 HIS A 291 6.149 1.867 6.780 1.00 0.88 N ATOM 0 H HIS A 291 2.653 4.056 7.347 1.00 0.25 H new ATOM 0 HA HIS A 291 3.745 6.677 7.827 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.025 6.120 6.993 1.00 0.35 H new ATOM 0 HB3 HIS A 291 5.672 5.559 8.616 1.00 0.35 H new ATOM 0 HD1 HIS A 291 7.944 4.424 6.748 1.00 1.01 H new ATOM 0 HD2 HIS A 291 4.198 2.669 7.383 1.00 1.26 H new ATOM 0 HE1 HIS A 291 8.225 1.950 6.279 1.00 0.72 H new ATOM 1127 N VAL A 292 2.345 5.631 5.553 1.00 0.21 N ATOM 1128 CA VAL A 292 1.824 5.830 4.212 1.00 0.21 C ATOM 1129 C VAL A 292 0.471 6.539 4.265 1.00 0.24 C ATOM 1130 O VAL A 292 -0.159 6.619 5.323 1.00 0.32 O ATOM 1131 CB VAL A 292 1.657 4.491 3.485 1.00 0.23 C ATOM 1132 CG1 VAL A 292 3.008 3.847 3.247 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.778 3.567 4.292 1.00 0.51 C ATOM 0 H VAL A 292 1.651 5.295 6.221 1.00 0.21 H new ATOM 0 HA VAL A 292 2.540 6.446 3.667 1.00 0.21 H new ATOM 0 HB VAL A 292 1.184 4.676 2.521 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.872 2.897 2.730 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.624 4.508 2.637 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.501 3.672 4.203 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.667 2.619 3.766 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.234 3.390 5.266 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.202 4.024 4.428 1.00 0.51 H new ATOM 1143 N ARG A 293 0.035 7.054 3.126 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.234 7.759 3.036 1.00 0.24 C ATOM 1145 C ARG A 293 -2.081 7.172 1.935 1.00 0.24 C ATOM 1146 O ARG A 293 -1.785 7.314 0.763 1.00 0.40 O ATOM 1147 CB ARG A 293 -0.991 9.237 2.786 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.148 9.884 3.873 1.00 0.38 C ATOM 1149 CD ARG A 293 -0.923 10.002 5.176 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.079 10.438 6.287 1.00 0.55 N ATOM 1151 CZ ARG A 293 -0.107 9.882 7.499 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.881 8.828 7.732 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.652 10.369 8.471 1.00 0.74 N ATOM 0 H ARG A 293 0.546 6.996 2.245 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.768 7.646 3.980 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.494 9.362 1.824 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -1.949 9.753 2.719 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.754 9.294 4.036 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.173 10.874 3.547 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.742 10.709 5.046 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.370 9.038 5.419 1.00 0.45 H new ATOM 0 HE ARG A 293 0.567 11.211 6.126 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -1.456 8.442 6.983 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.900 8.405 8.660 1.00 0.69 H new ATOM 0 HH21 ARG A 293 1.258 11.170 8.292 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.630 9.943 9.398 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.145 6.530 2.323 1.00 0.23 N ATOM 1168 CA LEU A 294 -3.891 5.694 1.416 1.00 0.26 C ATOM 1169 C LEU A 294 -4.884 6.487 0.582 1.00 0.27 C ATOM 1170 O LEU A 294 -5.737 7.223 1.077 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.552 4.603 2.242 1.00 0.38 C ATOM 1172 CG LEU A 294 -5.019 3.329 1.549 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -6.108 3.595 0.528 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -3.843 2.626 0.929 1.00 1.31 C ATOM 0 H LEU A 294 -3.521 6.568 3.270 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.221 5.244 0.684 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -3.851 4.313 3.025 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.417 5.044 2.737 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.462 2.678 2.303 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -6.407 2.656 0.062 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -6.969 4.045 1.023 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -5.732 4.276 -0.236 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -4.182 1.716 0.435 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -3.371 3.282 0.197 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -3.122 2.370 1.705 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.724 6.272 -0.698 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.478 6.889 -1.759 1.00 0.31 C ATOM 1188 C LEU A 295 -6.714 6.085 -2.110 1.00 0.36 C ATOM 1189 O LEU A 295 -6.790 5.511 -3.197 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.610 7.032 -2.976 1.00 0.33 C ATOM 1191 CG LEU A 295 -3.794 8.303 -3.044 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -2.652 8.265 -2.041 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.294 8.481 -4.452 1.00 0.39 C ATOM 0 H LEU A 295 -4.021 5.622 -1.049 1.00 0.27 H new ATOM 0 HA LEU A 295 -5.803 7.870 -1.412 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -3.930 6.181 -3.019 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.243 6.979 -3.862 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.416 9.158 -2.780 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.078 9.189 -2.108 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.056 8.160 -1.034 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.002 7.418 -2.261 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -2.703 9.395 -4.516 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -2.674 7.628 -4.728 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.142 8.549 -5.133 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.580 5.974 -1.123 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.817 5.168 -1.153 1.00 0.66 C ATOM 1207 C ASP A 296 -9.277 4.760 -2.555 1.00 0.86 C ATOM 1208 O ASP A 296 -9.428 5.592 -3.450 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.956 5.919 -0.465 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.652 6.273 0.974 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -9.736 5.381 1.846 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -9.335 7.453 1.244 1.00 1.97 O ATOM 0 H ASP A 296 -7.450 6.457 -0.234 1.00 0.55 H new ATOM 0 HA ASP A 296 -8.569 4.249 -0.622 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -10.168 6.833 -1.020 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -10.858 5.308 -0.500 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.516 3.464 -2.692 1.00 0.62 N ATOM 1218 CA GLN A 297 -9.984 2.843 -3.927 1.00 0.87 C ATOM 1219 C GLN A 297 -11.297 3.446 -4.410 1.00 1.60 C ATOM 1220 O GLN A 297 -12.352 3.098 -3.840 1.00 2.38 O ATOM 1221 CB GLN A 297 -10.173 1.327 -3.736 1.00 1.01 C ATOM 1222 CG GLN A 297 -10.013 0.808 -2.303 1.00 2.20 C ATOM 1223 CD GLN A 297 -10.977 1.423 -1.285 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -10.642 2.386 -0.598 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -12.171 0.877 -1.174 1.00 3.77 N ATOM 1226 OXT GLN A 297 -11.274 4.224 -5.388 1.00 2.17 O ATOM 0 H GLN A 297 -9.387 2.797 -1.931 1.00 0.62 H new ATOM 0 HA GLN A 297 -9.219 3.031 -4.680 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -11.168 1.057 -4.091 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -9.456 0.808 -4.372 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -10.151 -0.273 -2.306 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -8.991 0.998 -1.975 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -12.423 0.079 -1.757 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -12.844 1.253 -0.506 1.00 3.77 H new