USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=12 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= -0.556 USER MOD Set 1.2: A 291 HIS : no HE2:sc= -1.16 K(o=-1.7,f=-0.69) USER MOD Set 2.1: A 280 CYS SG : rot 104:sc= 0.686 USER MOD Set 2.2: A 281 ASN : amide:sc= 0.00444 X(o=0.69,f=0.68) USER MOD Set 3.1: A 228 ASN : amide:sc= -0.0178 X(o=0.3,f=0.16) USER MOD Set 3.2: A 229 THR OG1 : rot 96:sc= 0.321 USER MOD Single : A 233 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.0058) USER MOD Single : A 235 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 236 ASN : amide:sc= -2.09! K(o=-2.1!,f=-0.57) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= -0.794 K(o=-0.79,f=0) USER MOD Single : A 246 LYS NZ :NH3+ -105:sc= -3.62! (180deg=-9.14!) USER MOD Single : A 250 ASN : amide:sc= -3.09! K(o=-3.1!,f=-1.2) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= -2.22! USER MOD Single : A 266 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0333) USER MOD Single : A 268 THR OG1 : rot -19:sc= 0.22 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 ASN : amide:sc= -9! C(o=-9!,f=-11!) USER MOD Single : A 272 MET CE :methyl -161:sc= -0.15 (180deg=-0.616) USER MOD Single : A 273 SER OG : rot 180:sc= -0.805 USER MOD Single : A 275 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.17) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -1.71 K(o=-1.7,f=0.46) USER MOD Single : A 297 GLN : amide:sc= -1.95 K(o=-2,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 227 -9.639 1.051 3.152 1.00 1.37 N ATOM 98 CA ILE A 227 -9.441 -0.408 3.148 1.00 1.12 C ATOM 99 C ILE A 227 -8.578 -0.853 4.340 1.00 1.27 C ATOM 100 O ILE A 227 -7.363 -0.652 4.362 1.00 1.47 O ATOM 101 CB ILE A 227 -8.813 -0.929 1.813 1.00 0.97 C ATOM 102 CG1 ILE A 227 -9.896 -1.232 0.770 1.00 1.20 C ATOM 103 CG2 ILE A 227 -7.977 -2.182 2.038 1.00 1.14 C ATOM 104 CD1 ILE A 227 -10.624 -0.011 0.265 1.00 1.47 C ATOM 0 HA ILE A 227 -10.433 -0.850 3.238 1.00 1.12 H new ATOM 0 HB ILE A 227 -8.167 -0.134 1.442 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -9.437 -1.744 -0.076 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -10.621 -1.920 1.204 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -7.557 -2.515 1.089 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -7.168 -1.960 2.734 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -8.606 -2.970 2.452 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -11.372 -0.311 -0.468 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -11.114 0.491 1.099 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -9.912 0.670 -0.201 1.00 1.47 H new ATOM 116 N ASN A 228 -9.234 -1.372 5.370 1.00 1.52 N ATOM 117 CA ASN A 228 -8.553 -2.006 6.490 1.00 1.82 C ATOM 118 C ASN A 228 -9.460 -3.079 7.069 1.00 1.80 C ATOM 119 O ASN A 228 -10.679 -2.961 6.933 1.00 2.07 O ATOM 120 CB ASN A 228 -8.162 -0.978 7.567 1.00 2.42 C ATOM 121 CG ASN A 228 -9.341 -0.460 8.378 1.00 3.09 C ATOM 122 OD1 ASN A 228 -10.002 0.504 7.996 1.00 3.44 O ATOM 123 ND2 ASN A 228 -9.588 -1.077 9.523 1.00 3.83 N ATOM 0 H ASN A 228 -10.251 -1.365 5.452 1.00 1.52 H new ATOM 0 HA ASN A 228 -7.628 -2.459 6.134 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -7.439 -1.432 8.244 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -7.664 -0.135 7.088 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -10.349 -0.756 10.122 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -9.018 -1.874 9.806 1.00 3.83 H new ATOM 130 N THR A 229 -8.856 -4.129 7.659 1.00 1.66 N ATOM 131 CA THR A 229 -9.573 -5.207 8.386 1.00 1.67 C ATOM 132 C THR A 229 -9.574 -6.561 7.651 1.00 1.68 C ATOM 133 O THR A 229 -9.038 -7.537 8.175 1.00 2.22 O ATOM 134 CB THR A 229 -11.036 -4.858 8.753 1.00 1.80 C ATOM 135 OG1 THR A 229 -11.087 -3.620 9.482 1.00 1.91 O ATOM 136 CG2 THR A 229 -11.668 -5.958 9.596 1.00 1.88 C ATOM 0 H THR A 229 -7.844 -4.258 7.647 1.00 1.66 H new ATOM 0 HA THR A 229 -8.991 -5.298 9.303 1.00 1.67 H new ATOM 0 HB THR A 229 -11.595 -4.760 7.822 1.00 1.80 H new ATOM 0 HG1 THR A 229 -11.280 -2.884 8.864 1.00 1.91 H new ATOM 0 HG21 THR A 229 -12.695 -5.686 9.839 1.00 1.88 H new ATOM 0 HG22 THR A 229 -11.663 -6.893 9.036 1.00 1.88 H new ATOM 0 HG23 THR A 229 -11.099 -6.083 10.517 1.00 1.88 H new ATOM 144 N PRO A 230 -10.157 -6.651 6.437 1.00 1.34 N ATOM 145 CA PRO A 230 -10.499 -7.933 5.822 1.00 1.46 C ATOM 146 C PRO A 230 -9.288 -8.679 5.273 1.00 1.44 C ATOM 147 O PRO A 230 -8.252 -8.076 4.986 1.00 1.32 O ATOM 148 CB PRO A 230 -11.458 -7.551 4.681 1.00 1.46 C ATOM 149 CG PRO A 230 -11.648 -6.071 4.770 1.00 1.48 C ATOM 150 CD PRO A 230 -10.478 -5.546 5.536 1.00 1.35 C ATOM 0 HA PRO A 230 -10.933 -8.615 6.553 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -11.042 -7.832 3.713 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -12.410 -8.072 4.782 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -11.695 -5.624 3.777 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -12.584 -5.828 5.274 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -9.642 -5.303 4.880 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -10.728 -4.637 6.084 1.00 1.35 H new ATOM 158 N LEU A 231 -9.424 -10.001 5.159 1.00 1.78 N ATOM 159 CA LEU A 231 -8.387 -10.839 4.561 1.00 1.82 C ATOM 160 C LEU A 231 -8.015 -10.330 3.168 1.00 1.52 C ATOM 161 O LEU A 231 -8.882 -9.890 2.406 1.00 1.52 O ATOM 162 CB LEU A 231 -8.829 -12.314 4.525 1.00 2.34 C ATOM 163 CG LEU A 231 -10.328 -12.574 4.307 1.00 2.79 C ATOM 164 CD1 LEU A 231 -10.742 -12.280 2.874 1.00 3.30 C ATOM 165 CD2 LEU A 231 -10.674 -14.009 4.674 1.00 3.42 C ATOM 0 H LEU A 231 -10.246 -10.515 5.475 1.00 1.78 H new ATOM 0 HA LEU A 231 -7.494 -10.778 5.183 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -8.276 -12.817 3.731 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -8.534 -12.782 5.464 1.00 2.34 H new ATOM 0 HG LEU A 231 -10.882 -11.898 4.958 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -11.808 -12.475 2.756 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -10.536 -11.235 2.643 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -10.179 -12.919 2.194 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -11.739 -14.179 4.515 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -10.100 -14.693 4.049 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -10.431 -14.185 5.722 1.00 3.42 H new ATOM 177 N PRO A 232 -6.715 -10.378 2.823 1.00 1.40 N ATOM 178 CA PRO A 232 -6.191 -9.722 1.622 1.00 1.28 C ATOM 179 C PRO A 232 -6.920 -10.125 0.346 1.00 1.55 C ATOM 180 O PRO A 232 -6.975 -11.302 -0.010 1.00 1.84 O ATOM 181 CB PRO A 232 -4.733 -10.180 1.570 1.00 1.40 C ATOM 182 CG PRO A 232 -4.395 -10.535 2.976 1.00 1.45 C ATOM 183 CD PRO A 232 -5.659 -11.077 3.575 1.00 1.54 C ATOM 0 HA PRO A 232 -6.317 -8.641 1.677 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -4.611 -11.036 0.906 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -4.083 -9.389 1.195 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -3.596 -11.276 3.011 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -4.044 -9.662 3.526 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -5.729 -12.158 3.457 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -5.720 -10.868 4.643 1.00 1.54 H new ATOM 191 N ASN A 233 -7.440 -9.119 -0.350 1.00 1.58 N ATOM 192 CA ASN A 233 -8.162 -9.311 -1.603 1.00 2.01 C ATOM 193 C ASN A 233 -8.231 -8.007 -2.391 1.00 1.76 C ATOM 194 O ASN A 233 -7.381 -7.756 -3.245 1.00 2.31 O ATOM 195 CB ASN A 233 -9.591 -9.829 -1.370 1.00 2.67 C ATOM 196 CG ASN A 233 -9.697 -11.341 -1.443 1.00 3.38 C ATOM 197 OD1 ASN A 233 -9.809 -11.913 -2.526 1.00 3.96 O ATOM 198 ND2 ASN A 233 -9.691 -11.997 -0.294 1.00 3.82 N ATOM 0 H ASN A 233 -7.372 -8.144 -0.060 1.00 1.58 H new ATOM 0 HA ASN A 233 -7.610 -10.059 -2.172 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -9.937 -9.494 -0.392 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -10.256 -9.388 -2.112 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -9.781 -13.013 -0.286 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -9.596 -11.487 0.584 1.00 3.82 H new ATOM 205 N LEU A 234 -9.216 -7.164 -2.044 1.00 1.61 N ATOM 206 CA LEU A 234 -9.594 -5.998 -2.807 1.00 1.90 C ATOM 207 C LEU A 234 -11.027 -5.704 -2.462 1.00 1.69 C ATOM 208 O LEU A 234 -11.842 -6.615 -2.328 1.00 1.91 O ATOM 209 CB LEU A 234 -9.453 -6.176 -4.330 1.00 2.77 C ATOM 210 CG LEU A 234 -10.278 -7.296 -4.985 1.00 3.77 C ATOM 211 CD1 LEU A 234 -11.662 -6.805 -5.388 1.00 4.30 C ATOM 212 CD2 LEU A 234 -9.546 -7.841 -6.197 1.00 4.49 C ATOM 0 H LEU A 234 -9.776 -7.291 -1.201 1.00 1.61 H new ATOM 0 HA LEU A 234 -8.920 -5.181 -2.548 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -9.723 -5.234 -4.807 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -8.401 -6.356 -4.553 1.00 2.77 H new ATOM 0 HG LEU A 234 -10.405 -8.092 -4.251 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -12.218 -7.622 -5.848 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -12.195 -6.455 -4.504 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -11.564 -5.986 -6.101 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -10.138 -8.634 -6.654 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -9.393 -7.040 -6.920 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -8.580 -8.241 -5.889 1.00 4.49 H new ATOM 224 N GLN A 235 -11.319 -4.457 -2.248 1.00 1.58 N ATOM 225 CA GLN A 235 -12.665 -4.055 -1.962 1.00 1.78 C ATOM 226 C GLN A 235 -13.302 -3.455 -3.215 1.00 1.59 C ATOM 227 O GLN A 235 -14.523 -3.448 -3.369 1.00 1.97 O ATOM 228 CB GLN A 235 -12.609 -3.101 -0.788 1.00 2.17 C ATOM 229 CG GLN A 235 -13.829 -2.211 -0.617 1.00 2.56 C ATOM 230 CD GLN A 235 -15.085 -3.002 -0.288 1.00 3.18 C ATOM 231 OE1 GLN A 235 -15.018 -4.065 0.326 1.00 3.71 O ATOM 232 NE2 GLN A 235 -16.236 -2.488 -0.692 1.00 3.72 N ATOM 0 H GLN A 235 -10.640 -3.696 -2.266 1.00 1.58 H new ATOM 0 HA GLN A 235 -13.299 -4.897 -1.685 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -12.472 -3.681 0.125 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -11.729 -2.467 -0.898 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -13.640 -1.489 0.177 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -13.991 -1.642 -1.533 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -16.249 -1.603 -1.199 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -17.110 -2.977 -0.496 1.00 3.72 H new ATOM 241 N ASN A 236 -12.457 -2.972 -4.118 1.00 1.40 N ATOM 242 CA ASN A 236 -12.895 -2.578 -5.451 1.00 1.65 C ATOM 243 C ASN A 236 -11.897 -3.114 -6.475 1.00 1.69 C ATOM 244 O ASN A 236 -12.279 -3.642 -7.519 1.00 2.36 O ATOM 245 CB ASN A 236 -13.038 -1.054 -5.570 1.00 2.09 C ATOM 246 CG ASN A 236 -13.500 -0.638 -6.956 1.00 2.95 C ATOM 247 OD1 ASN A 236 -14.284 -1.339 -7.594 1.00 3.67 O ATOM 248 ND2 ASN A 236 -13.010 0.491 -7.435 1.00 3.34 N ATOM 0 H ASN A 236 -11.459 -2.843 -3.950 1.00 1.40 H new ATOM 0 HA ASN A 236 -13.880 -3.003 -5.642 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -13.751 -0.697 -4.827 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -12.082 -0.581 -5.348 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -13.280 0.810 -8.366 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -12.362 1.044 -6.874 1.00 3.34 H new ATOM 255 N GLY A 237 -10.617 -2.981 -6.156 1.00 1.32 N ATOM 256 CA GLY A 237 -9.582 -3.689 -6.856 1.00 1.67 C ATOM 257 C GLY A 237 -8.241 -3.295 -6.293 1.00 1.38 C ATOM 258 O GLY A 237 -7.678 -3.990 -5.449 1.00 1.70 O ATOM 0 H GLY A 237 -10.279 -2.379 -5.405 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -9.730 -4.764 -6.756 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -9.624 -3.459 -7.921 1.00 1.67 H new ATOM 262 N PRO A 238 -7.720 -2.161 -6.736 1.00 0.90 N ATOM 263 CA PRO A 238 -6.512 -1.556 -6.223 1.00 0.65 C ATOM 264 C PRO A 238 -6.811 -0.395 -5.304 1.00 0.50 C ATOM 265 O PRO A 238 -7.942 0.075 -5.223 1.00 0.76 O ATOM 266 CB PRO A 238 -5.855 -1.020 -7.496 1.00 0.65 C ATOM 267 CG PRO A 238 -6.895 -1.180 -8.564 1.00 0.96 C ATOM 268 CD PRO A 238 -8.194 -1.379 -7.859 1.00 0.88 C ATOM 0 HA PRO A 238 -5.908 -2.256 -5.645 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.564 0.024 -7.381 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -4.950 -1.578 -7.739 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -6.932 -0.299 -9.205 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -6.666 -2.032 -9.205 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -8.656 -0.440 -7.554 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.926 -1.913 -8.466 1.00 0.88 H new ATOM 276 N PHE A 239 -5.808 0.026 -4.581 1.00 0.37 N ATOM 277 CA PHE A 239 -5.843 1.308 -3.908 1.00 0.28 C ATOM 278 C PHE A 239 -4.475 1.916 -3.973 1.00 0.27 C ATOM 279 O PHE A 239 -3.481 1.206 -3.995 1.00 0.51 O ATOM 280 CB PHE A 239 -6.323 1.200 -2.450 1.00 0.34 C ATOM 281 CG PHE A 239 -5.851 -0.028 -1.771 1.00 0.41 C ATOM 282 CD1 PHE A 239 -6.377 -1.223 -2.151 1.00 0.90 C ATOM 283 CD2 PHE A 239 -4.907 0.009 -0.774 1.00 0.35 C ATOM 284 CE1 PHE A 239 -5.981 -2.389 -1.560 1.00 1.09 C ATOM 285 CE2 PHE A 239 -4.503 -1.152 -0.163 1.00 0.35 C ATOM 286 CZ PHE A 239 -5.039 -2.354 -0.560 1.00 0.73 C ATOM 0 H PHE A 239 -4.947 -0.502 -4.439 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.567 1.944 -4.417 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.976 2.071 -1.894 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.413 1.223 -2.430 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -7.121 -1.251 -2.934 1.00 0.90 H new ATOM 0 HD2 PHE A 239 -4.481 0.954 -0.470 1.00 0.35 H new ATOM 0 HE1 PHE A 239 -6.405 -3.331 -1.876 1.00 1.09 H new ATOM 0 HE2 PHE A 239 -3.767 -1.121 0.627 1.00 0.35 H new ATOM 0 HZ PHE A 239 -4.720 -3.271 -0.086 1.00 0.73 H new ATOM 296 N TYR A 240 -4.414 3.219 -4.019 1.00 0.16 N ATOM 297 CA TYR A 240 -3.140 3.875 -4.152 1.00 0.21 C ATOM 298 C TYR A 240 -2.647 4.228 -2.779 1.00 0.21 C ATOM 299 O TYR A 240 -3.436 4.551 -1.913 1.00 0.36 O ATOM 300 CB TYR A 240 -3.238 5.114 -5.043 1.00 0.25 C ATOM 301 CG TYR A 240 -3.708 4.821 -6.450 1.00 0.25 C ATOM 302 CD1 TYR A 240 -3.217 3.730 -7.159 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.638 5.641 -7.072 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.645 3.468 -8.447 1.00 0.38 C ATOM 305 CE2 TYR A 240 -5.069 5.385 -8.357 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.570 4.297 -9.041 1.00 0.45 C ATOM 307 OH TYR A 240 -5.002 4.039 -10.323 1.00 0.59 O ATOM 0 H TYR A 240 -5.220 3.842 -3.967 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.432 3.203 -4.636 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.922 5.827 -4.583 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -2.261 5.594 -5.089 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.491 3.078 -6.697 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -5.032 6.495 -6.541 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -3.255 2.617 -8.985 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.794 6.034 -8.825 1.00 0.46 H new ATOM 0 HH TYR A 240 -5.655 4.719 -10.591 1.00 0.59 H new ATOM 317 N ALA A 241 -1.367 4.120 -2.553 1.00 0.17 N ATOM 318 CA ALA A 241 -0.834 4.392 -1.240 1.00 0.19 C ATOM 319 C ALA A 241 0.330 5.365 -1.330 1.00 0.15 C ATOM 320 O ALA A 241 1.353 5.076 -1.953 1.00 0.19 O ATOM 321 CB ALA A 241 -0.411 3.087 -0.591 1.00 0.35 C ATOM 0 H ALA A 241 -0.676 3.848 -3.252 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.603 4.857 -0.623 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.008 3.288 0.401 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.274 2.427 -0.505 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.353 2.607 -1.203 1.00 0.35 H new ATOM 327 N ARG A 242 0.162 6.518 -0.714 1.00 0.16 N ATOM 328 CA ARG A 242 1.190 7.537 -0.691 1.00 0.16 C ATOM 329 C ARG A 242 2.188 7.237 0.402 1.00 0.14 C ATOM 330 O ARG A 242 1.875 7.306 1.584 1.00 0.23 O ATOM 331 CB ARG A 242 0.588 8.926 -0.451 1.00 0.29 C ATOM 332 CG ARG A 242 1.638 10.016 -0.265 1.00 0.33 C ATOM 333 CD ARG A 242 2.278 10.406 -1.582 1.00 0.79 C ATOM 334 NE ARG A 242 1.314 11.004 -2.501 1.00 1.19 N ATOM 335 CZ ARG A 242 1.476 11.048 -3.822 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.525 10.458 -4.387 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.587 11.672 -4.576 1.00 2.05 N ATOM 0 H ARG A 242 -0.691 6.774 -0.216 1.00 0.16 H new ATOM 0 HA ARG A 242 1.686 7.533 -1.661 1.00 0.16 H new ATOM 0 HB2 ARG A 242 -0.051 9.188 -1.294 1.00 0.29 H new ATOM 0 HB3 ARG A 242 -0.049 8.890 0.433 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.176 10.893 0.189 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.407 9.667 0.424 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.088 11.111 -1.397 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.722 9.525 -2.045 1.00 0.79 H new ATOM 0 HE ARG A 242 0.466 11.412 -2.108 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.209 9.970 -3.808 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.646 10.493 -5.399 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.222 12.119 -4.146 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.711 11.706 -5.588 1.00 2.05 H new ATOM 351 N VAL A 243 3.375 6.879 0.002 1.00 0.10 N ATOM 352 CA VAL A 243 4.457 6.699 0.934 1.00 0.14 C ATOM 353 C VAL A 243 5.019 8.054 1.326 1.00 0.11 C ATOM 354 O VAL A 243 5.507 8.792 0.478 1.00 0.15 O ATOM 355 CB VAL A 243 5.565 5.806 0.332 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.858 6.183 -1.110 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.828 5.881 1.169 1.00 0.32 C ATOM 0 H VAL A 243 3.621 6.704 -0.972 1.00 0.10 H new ATOM 0 HA VAL A 243 4.074 6.197 1.823 1.00 0.14 H new ATOM 0 HB VAL A 243 5.203 4.778 0.341 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.642 5.536 -1.503 1.00 0.23 H new ATOM 0 HG12 VAL A 243 4.955 6.063 -1.708 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.188 7.221 -1.155 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.595 5.245 0.728 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.184 6.911 1.199 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.614 5.541 2.182 1.00 0.32 H new ATOM 367 N ILE A 244 4.904 8.406 2.596 1.00 0.13 N ATOM 368 CA ILE A 244 5.457 9.658 3.064 1.00 0.15 C ATOM 369 C ILE A 244 6.724 9.435 3.870 1.00 0.14 C ATOM 370 O ILE A 244 7.365 10.401 4.277 1.00 0.20 O ATOM 371 CB ILE A 244 4.461 10.454 3.911 1.00 0.25 C ATOM 372 CG1 ILE A 244 3.908 9.582 5.033 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.352 10.995 3.028 1.00 0.32 C ATOM 374 CD1 ILE A 244 3.053 10.340 6.013 1.00 0.76 C ATOM 0 H ILE A 244 4.438 7.847 3.311 1.00 0.13 H new ATOM 0 HA ILE A 244 5.690 10.237 2.170 1.00 0.15 H new ATOM 0 HB ILE A 244 4.971 11.301 4.371 1.00 0.25 H new ATOM 0 HG12 ILE A 244 3.320 8.773 4.599 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.738 9.121 5.568 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.646 11.561 3.636 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.779 11.647 2.266 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.833 10.166 2.546 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.693 9.659 6.784 1.00 0.76 H new ATOM 0 HD12 ILE A 244 3.643 11.132 6.475 1.00 0.76 H new ATOM 0 HD13 ILE A 244 2.203 10.779 5.491 1.00 0.76 H new ATOM 386 N GLN A 245 7.053 8.163 4.110 1.00 0.12 N ATOM 387 CA GLN A 245 8.338 7.751 4.694 1.00 0.14 C ATOM 388 C GLN A 245 8.604 6.287 4.400 1.00 0.14 C ATOM 389 O GLN A 245 7.872 5.410 4.862 1.00 0.17 O ATOM 390 CB GLN A 245 8.372 7.951 6.205 1.00 0.21 C ATOM 391 CG GLN A 245 8.448 9.397 6.609 1.00 0.33 C ATOM 392 CD GLN A 245 8.415 9.597 8.110 1.00 0.54 C ATOM 393 OE1 GLN A 245 7.891 10.596 8.607 1.00 1.19 O ATOM 394 NE2 GLN A 245 8.998 8.663 8.846 1.00 1.06 N ATOM 0 H GLN A 245 6.431 7.381 3.904 1.00 0.12 H new ATOM 0 HA GLN A 245 9.105 8.379 4.240 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.480 7.504 6.644 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.230 7.420 6.616 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.365 9.832 6.211 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.616 9.938 6.158 1.00 0.33 H new ATOM 0 HE21 GLN A 245 9.421 7.850 8.397 1.00 1.06 H new ATOM 0 HE22 GLN A 245 9.024 8.756 9.861 1.00 1.06 H new ATOM 403 N LYS A 246 9.613 6.015 3.595 1.00 0.15 N ATOM 404 CA LYS A 246 10.004 4.644 3.328 1.00 0.16 C ATOM 405 C LYS A 246 11.506 4.463 3.400 1.00 0.22 C ATOM 406 O LYS A 246 12.270 5.423 3.484 1.00 0.29 O ATOM 407 CB LYS A 246 9.495 4.156 1.976 1.00 0.18 C ATOM 408 CG LYS A 246 8.872 2.767 2.045 1.00 0.20 C ATOM 409 CD LYS A 246 7.557 2.795 2.822 1.00 0.29 C ATOM 410 CE LYS A 246 6.456 2.012 2.127 1.00 0.28 C ATOM 411 NZ LYS A 246 5.986 2.671 0.880 1.00 0.36 N ATOM 0 H LYS A 246 10.174 6.720 3.117 1.00 0.15 H new ATOM 0 HA LYS A 246 9.541 4.041 4.109 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.757 4.862 1.595 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.321 4.144 1.265 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.695 2.394 1.036 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.567 2.076 2.523 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.718 2.383 3.818 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.237 3.829 2.952 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.820 1.012 1.890 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.615 1.892 2.809 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 5.059 3.112 1.048 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.670 3.401 0.594 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 5.900 1.962 0.124 1.00 0.36 H new ATOM 425 N ARG A 247 11.896 3.212 3.395 1.00 0.27 N ATOM 426 CA ARG A 247 13.278 2.822 3.260 1.00 0.37 C ATOM 427 C ARG A 247 13.513 2.627 1.773 1.00 0.27 C ATOM 428 O ARG A 247 12.543 2.444 1.042 1.00 0.21 O ATOM 429 CB ARG A 247 13.490 1.524 4.059 1.00 0.55 C ATOM 430 CG ARG A 247 14.770 0.753 3.770 1.00 0.69 C ATOM 431 CD ARG A 247 14.821 -0.501 4.628 1.00 0.72 C ATOM 432 NE ARG A 247 15.861 -1.444 4.223 1.00 1.24 N ATOM 433 CZ ARG A 247 15.654 -2.758 4.092 1.00 1.29 C ATOM 434 NH1 ARG A 247 14.441 -3.265 4.288 1.00 1.33 N ATOM 435 NH2 ARG A 247 16.656 -3.568 3.775 1.00 2.10 N ATOM 0 H ARG A 247 11.253 2.425 3.486 1.00 0.27 H new ATOM 0 HA ARG A 247 13.979 3.561 3.647 1.00 0.37 H new ATOM 0 HB2 ARG A 247 13.471 1.770 5.121 1.00 0.55 H new ATOM 0 HB3 ARG A 247 12.643 0.864 3.870 1.00 0.55 H new ATOM 0 HG2 ARG A 247 14.813 0.484 2.714 1.00 0.69 H new ATOM 0 HG3 ARG A 247 15.637 1.380 3.975 1.00 0.69 H new ATOM 0 HD2 ARG A 247 14.986 -0.214 5.667 1.00 0.72 H new ATOM 0 HD3 ARG A 247 13.853 -1.000 4.585 1.00 0.72 H new ATOM 0 HE ARG A 247 16.794 -1.080 4.030 1.00 1.24 H new ATOM 0 HH11 ARG A 247 13.666 -2.651 4.539 1.00 1.33 H new ATOM 0 HH12 ARG A 247 14.285 -4.268 4.188 1.00 1.33 H new ATOM 0 HH21 ARG A 247 17.592 -3.189 3.630 1.00 2.10 H new ATOM 0 HH22 ARG A 247 16.491 -4.570 3.677 1.00 2.10 H new ATOM 449 N VAL A 248 14.748 2.707 1.301 1.00 0.32 N ATOM 450 CA VAL A 248 15.015 2.393 -0.094 1.00 0.31 C ATOM 451 C VAL A 248 15.634 1.005 -0.162 1.00 0.26 C ATOM 452 O VAL A 248 16.852 0.840 -0.079 1.00 0.30 O ATOM 453 CB VAL A 248 15.954 3.423 -0.759 1.00 0.45 C ATOM 454 CG1 VAL A 248 15.985 3.225 -2.266 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.529 4.844 -0.413 1.00 1.18 C ATOM 0 H VAL A 248 15.564 2.980 1.849 1.00 0.32 H new ATOM 0 HA VAL A 248 14.073 2.426 -0.642 1.00 0.31 H new ATOM 0 HB VAL A 248 16.961 3.265 -0.372 1.00 0.45 H new ATOM 0 HG11 VAL A 248 16.652 3.960 -2.716 1.00 1.12 H new ATOM 0 HG12 VAL A 248 16.344 2.222 -2.494 1.00 1.12 H new ATOM 0 HG13 VAL A 248 14.981 3.351 -2.670 1.00 1.12 H new ATOM 0 HG21 VAL A 248 16.205 5.553 -0.892 1.00 1.18 H new ATOM 0 HG22 VAL A 248 14.512 5.016 -0.766 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.566 4.982 0.668 1.00 1.18 H new ATOM 465 N PRO A 249 14.772 -0.009 -0.251 1.00 0.20 N ATOM 466 CA PRO A 249 15.126 -1.407 -0.223 1.00 0.20 C ATOM 467 C PRO A 249 15.091 -2.081 -1.581 1.00 0.27 C ATOM 468 O PRO A 249 14.686 -1.492 -2.578 1.00 0.34 O ATOM 469 CB PRO A 249 14.032 -1.980 0.682 1.00 0.21 C ATOM 470 CG PRO A 249 12.906 -0.973 0.647 1.00 0.23 C ATOM 471 CD PRO A 249 13.330 0.105 -0.314 1.00 0.22 C ATOM 0 HA PRO A 249 16.150 -1.564 0.114 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.698 -2.954 0.324 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.399 -2.122 1.698 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.977 -1.440 0.321 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.724 -0.559 1.639 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.948 -0.068 -1.320 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.982 1.091 -0.006 1.00 0.22 H new ATOM 479 N ASN A 250 15.577 -3.303 -1.621 1.00 0.31 N ATOM 480 CA ASN A 250 15.369 -4.161 -2.753 1.00 0.39 C ATOM 481 C ASN A 250 14.344 -5.235 -2.451 1.00 0.36 C ATOM 482 O ASN A 250 14.173 -5.646 -1.309 1.00 0.35 O ATOM 483 CB ASN A 250 16.680 -4.788 -3.200 1.00 0.51 C ATOM 484 CG ASN A 250 17.548 -5.257 -2.046 1.00 1.13 C ATOM 485 OD1 ASN A 250 18.410 -4.519 -1.570 1.00 1.97 O ATOM 486 ND2 ASN A 250 17.345 -6.483 -1.595 1.00 1.56 N ATOM 0 H ASN A 250 16.125 -3.723 -0.870 1.00 0.31 H new ATOM 0 HA ASN A 250 14.982 -3.547 -3.566 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.466 -5.635 -3.851 1.00 0.51 H new ATOM 0 HB3 ASN A 250 17.237 -4.063 -3.793 1.00 0.51 H new ATOM 0 HD21 ASN A 250 17.912 -6.845 -0.828 1.00 1.56 H new ATOM 0 HD22 ASN A 250 16.621 -7.067 -2.014 1.00 1.56 H new ATOM 493 N ALA A 251 13.680 -5.679 -3.501 1.00 0.43 N ATOM 494 CA ALA A 251 12.650 -6.713 -3.419 1.00 0.48 C ATOM 495 C ALA A 251 13.215 -8.054 -2.953 1.00 0.53 C ATOM 496 O ALA A 251 12.468 -8.984 -2.646 1.00 0.60 O ATOM 497 CB ALA A 251 11.968 -6.868 -4.769 1.00 0.59 C ATOM 0 H ALA A 251 13.837 -5.333 -4.447 1.00 0.43 H new ATOM 0 HA ALA A 251 11.920 -6.396 -2.674 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.201 -7.640 -4.703 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.507 -5.922 -5.055 1.00 0.59 H new ATOM 0 HB3 ALA A 251 12.706 -7.153 -5.519 1.00 0.59 H new ATOM 503 N TYR A 252 14.536 -8.164 -2.924 1.00 0.54 N ATOM 504 CA TYR A 252 15.188 -9.340 -2.375 1.00 0.65 C ATOM 505 C TYR A 252 15.105 -9.307 -0.850 1.00 0.60 C ATOM 506 O TYR A 252 15.221 -10.336 -0.183 1.00 0.69 O ATOM 507 CB TYR A 252 16.647 -9.405 -2.840 1.00 0.77 C ATOM 508 CG TYR A 252 17.387 -10.640 -2.370 1.00 1.63 C ATOM 509 CD1 TYR A 252 17.164 -11.876 -2.966 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.303 -10.570 -1.328 1.00 2.46 C ATOM 511 CE1 TYR A 252 17.834 -13.005 -2.539 1.00 2.83 C ATOM 512 CE2 TYR A 252 18.977 -11.695 -0.896 1.00 3.46 C ATOM 513 CZ TYR A 252 18.739 -12.911 -1.504 1.00 3.61 C ATOM 514 OH TYR A 252 19.413 -14.035 -1.079 1.00 4.61 O ATOM 0 H TYR A 252 15.176 -7.451 -3.275 1.00 0.54 H new ATOM 0 HA TYR A 252 14.679 -10.235 -2.734 1.00 0.65 H new ATOM 0 HB2 TYR A 252 16.673 -9.371 -3.929 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.172 -8.520 -2.481 1.00 0.77 H new ATOM 0 HD1 TYR A 252 16.455 -11.954 -3.777 1.00 1.89 H new ATOM 0 HD2 TYR A 252 18.491 -9.621 -0.848 1.00 2.46 H new ATOM 0 HE1 TYR A 252 17.650 -13.957 -3.014 1.00 2.83 H new ATOM 0 HE2 TYR A 252 19.687 -11.624 -0.086 1.00 3.46 H new ATOM 0 HH TYR A 252 20.014 -13.797 -0.343 1.00 4.61 H new ATOM 524 N ASP A 253 14.887 -8.111 -0.316 1.00 0.50 N ATOM 525 CA ASP A 253 14.707 -7.915 1.111 1.00 0.51 C ATOM 526 C ASP A 253 13.297 -8.278 1.483 1.00 0.48 C ATOM 527 O ASP A 253 12.414 -7.420 1.535 1.00 0.43 O ATOM 528 CB ASP A 253 14.970 -6.465 1.473 1.00 0.49 C ATOM 529 CG ASP A 253 14.895 -6.194 2.965 1.00 0.79 C ATOM 530 OD1 ASP A 253 15.916 -6.346 3.670 1.00 0.85 O ATOM 531 OD2 ASP A 253 13.797 -5.850 3.451 1.00 1.32 O ATOM 0 H ASP A 253 14.831 -7.252 -0.863 1.00 0.50 H new ATOM 0 HA ASP A 253 15.408 -8.548 1.655 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.957 -6.180 1.108 1.00 0.49 H new ATOM 0 HB3 ASP A 253 14.246 -5.833 0.959 1.00 0.49 H new ATOM 536 N LYS A 254 13.104 -9.556 1.750 1.00 0.55 N ATOM 537 CA LYS A 254 11.793 -10.144 1.819 1.00 0.55 C ATOM 538 C LYS A 254 11.126 -9.868 0.489 1.00 0.49 C ATOM 539 O LYS A 254 11.250 -10.665 -0.441 1.00 0.54 O ATOM 540 CB LYS A 254 10.978 -9.614 3.013 1.00 0.57 C ATOM 541 CG LYS A 254 11.810 -9.309 4.257 1.00 0.73 C ATOM 542 CD LYS A 254 12.590 -10.512 4.772 1.00 1.32 C ATOM 543 CE LYS A 254 14.060 -10.423 4.383 1.00 1.62 C ATOM 544 NZ LYS A 254 14.848 -11.565 4.914 1.00 2.40 N ATOM 0 H LYS A 254 13.863 -10.215 1.925 1.00 0.55 H new ATOM 0 HA LYS A 254 11.860 -11.218 1.993 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.457 -8.707 2.708 1.00 0.57 H new ATOM 0 HB3 LYS A 254 10.215 -10.348 3.272 1.00 0.57 H new ATOM 0 HG2 LYS A 254 12.508 -8.503 4.030 1.00 0.73 H new ATOM 0 HG3 LYS A 254 11.151 -8.947 5.046 1.00 0.73 H new ATOM 0 HD2 LYS A 254 12.501 -10.569 5.857 1.00 1.32 H new ATOM 0 HD3 LYS A 254 12.159 -11.428 4.368 1.00 1.32 H new ATOM 0 HE2 LYS A 254 14.146 -10.397 3.297 1.00 1.62 H new ATOM 0 HE3 LYS A 254 14.478 -9.489 4.758 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 15.842 -11.465 4.626 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 14.788 -11.575 5.952 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 14.466 -12.456 4.536 1.00 2.40 H new ATOM 558 N THR A 255 10.452 -8.740 0.382 1.00 0.42 N ATOM 559 CA THR A 255 9.974 -8.272 -0.899 1.00 0.39 C ATOM 560 C THR A 255 10.122 -6.760 -1.065 1.00 0.31 C ATOM 561 O THR A 255 9.874 -6.245 -2.135 1.00 0.32 O ATOM 562 CB THR A 255 8.514 -8.696 -1.119 1.00 0.47 C ATOM 563 OG1 THR A 255 7.754 -8.443 0.074 1.00 0.49 O ATOM 564 CG2 THR A 255 8.435 -10.169 -1.480 1.00 0.60 C ATOM 0 H THR A 255 10.224 -8.132 1.169 1.00 0.42 H new ATOM 0 HA THR A 255 10.600 -8.739 -1.659 1.00 0.39 H new ATOM 0 HB THR A 255 8.100 -8.116 -1.944 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.823 -8.712 -0.068 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.393 -10.451 -1.632 1.00 0.60 H new ATOM 0 HG22 THR A 255 8.997 -10.350 -2.396 1.00 0.60 H new ATOM 0 HG23 THR A 255 8.858 -10.765 -0.671 1.00 0.60 H new ATOM 572 N ALA A 256 10.630 -6.106 -0.024 1.00 0.26 N ATOM 573 CA ALA A 256 10.460 -4.660 0.231 1.00 0.21 C ATOM 574 C ALA A 256 10.290 -3.737 -0.993 1.00 0.17 C ATOM 575 O ALA A 256 11.104 -3.733 -1.917 1.00 0.21 O ATOM 576 CB ALA A 256 11.610 -4.174 1.086 1.00 0.23 C ATOM 0 H ALA A 256 11.189 -6.571 0.691 1.00 0.26 H new ATOM 0 HA ALA A 256 9.497 -4.586 0.736 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.494 -3.108 1.280 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.615 -4.716 2.031 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.551 -4.347 0.563 1.00 0.23 H new ATOM 582 N LEU A 257 9.212 -2.925 -0.936 1.00 0.14 N ATOM 583 CA LEU A 257 8.946 -1.855 -1.912 1.00 0.14 C ATOM 584 C LEU A 257 10.100 -0.871 -1.974 1.00 0.13 C ATOM 585 O LEU A 257 10.400 -0.215 -0.978 1.00 0.15 O ATOM 586 CB LEU A 257 7.699 -1.029 -1.531 1.00 0.15 C ATOM 587 CG LEU A 257 6.342 -1.545 -1.986 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.395 -2.018 -3.428 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.853 -2.628 -1.060 1.00 0.21 C ATOM 0 H LEU A 257 8.502 -2.997 -0.208 1.00 0.14 H new ATOM 0 HA LEU A 257 8.800 -2.358 -2.868 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.676 -0.938 -0.445 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.827 -0.024 -1.932 1.00 0.15 H new ATOM 0 HG LEU A 257 5.627 -0.724 -1.943 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.412 -2.382 -3.728 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.687 -1.189 -4.072 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.124 -2.823 -3.520 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.881 -2.986 -1.400 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.564 -3.454 -1.059 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.760 -2.228 -0.050 1.00 0.21 H new ATOM 601 N ALA A 258 10.714 -0.726 -3.136 1.00 0.14 N ATOM 602 CA ALA A 258 11.753 0.276 -3.301 1.00 0.16 C ATOM 603 C ALA A 258 11.149 1.611 -3.710 1.00 0.17 C ATOM 604 O ALA A 258 10.889 1.855 -4.891 1.00 0.24 O ATOM 605 CB ALA A 258 12.754 -0.188 -4.337 1.00 0.22 C ATOM 0 H ALA A 258 10.515 -1.281 -3.968 1.00 0.14 H new ATOM 0 HA ALA A 258 12.265 0.411 -2.348 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.531 0.567 -4.456 1.00 0.22 H new ATOM 0 HB2 ALA A 258 13.206 -1.125 -4.012 1.00 0.22 H new ATOM 0 HB3 ALA A 258 12.247 -0.341 -5.290 1.00 0.22 H new ATOM 611 N LEU A 259 10.912 2.472 -2.726 1.00 0.13 N ATOM 612 CA LEU A 259 10.347 3.786 -2.985 1.00 0.15 C ATOM 613 C LEU A 259 10.637 4.729 -1.822 1.00 0.15 C ATOM 614 O LEU A 259 10.986 4.285 -0.728 1.00 0.18 O ATOM 615 CB LEU A 259 8.835 3.683 -3.276 1.00 0.20 C ATOM 616 CG LEU A 259 8.139 2.439 -2.711 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.223 2.419 -1.200 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.690 2.377 -3.161 1.00 0.55 C ATOM 0 H LEU A 259 11.103 2.281 -1.742 1.00 0.13 H new ATOM 0 HA LEU A 259 10.821 4.202 -3.874 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.344 4.568 -2.872 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.688 3.702 -4.356 1.00 0.20 H new ATOM 0 HG LEU A 259 8.655 1.560 -3.098 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.723 1.528 -0.820 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.269 2.407 -0.894 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.737 3.308 -0.797 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.218 1.486 -2.747 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.162 3.263 -2.810 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.648 2.337 -4.249 1.00 0.55 H new ATOM 630 N GLU A 260 10.489 6.016 -2.062 1.00 0.18 N ATOM 631 CA GLU A 260 10.736 7.028 -1.059 1.00 0.24 C ATOM 632 C GLU A 260 9.452 7.794 -0.761 1.00 0.20 C ATOM 633 O GLU A 260 8.480 7.702 -1.504 1.00 0.21 O ATOM 634 CB GLU A 260 11.851 7.969 -1.559 1.00 0.39 C ATOM 635 CG GLU A 260 11.706 9.429 -1.141 1.00 0.52 C ATOM 636 CD GLU A 260 12.891 10.273 -1.544 1.00 0.96 C ATOM 637 OE1 GLU A 260 14.021 9.959 -1.117 1.00 1.74 O ATOM 638 OE2 GLU A 260 12.700 11.262 -2.283 1.00 1.27 O ATOM 0 H GLU A 260 10.192 6.390 -2.964 1.00 0.18 H new ATOM 0 HA GLU A 260 11.064 6.562 -0.130 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.809 7.597 -1.195 1.00 0.39 H new ATOM 0 HB3 GLU A 260 11.884 7.921 -2.647 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.802 9.842 -1.589 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.579 9.482 -0.060 1.00 0.52 H new ATOM 645 N VAL A 261 9.444 8.498 0.358 1.00 0.33 N ATOM 646 CA VAL A 261 8.396 9.461 0.663 1.00 0.32 C ATOM 647 C VAL A 261 8.156 10.372 -0.538 1.00 0.22 C ATOM 648 O VAL A 261 9.101 10.821 -1.189 1.00 0.28 O ATOM 649 CB VAL A 261 8.782 10.310 1.881 1.00 0.43 C ATOM 650 CG1 VAL A 261 10.162 9.946 2.345 1.00 0.92 C ATOM 651 CG2 VAL A 261 8.655 11.802 1.620 1.00 0.93 C ATOM 0 H VAL A 261 10.161 8.420 1.080 1.00 0.33 H new ATOM 0 HA VAL A 261 7.482 8.912 0.890 1.00 0.32 H new ATOM 0 HB VAL A 261 8.073 10.085 2.678 1.00 0.43 H new ATOM 0 HG11 VAL A 261 10.427 10.554 3.210 1.00 0.92 H new ATOM 0 HG12 VAL A 261 10.187 8.892 2.621 1.00 0.92 H new ATOM 0 HG13 VAL A 261 10.876 10.128 1.541 1.00 0.92 H new ATOM 0 HG21 VAL A 261 8.941 12.354 2.516 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.310 12.084 0.796 1.00 0.93 H new ATOM 0 HG23 VAL A 261 7.623 12.040 1.361 1.00 0.93 H new ATOM 661 N GLY A 262 6.910 10.636 -0.851 1.00 0.17 N ATOM 662 CA GLY A 262 6.635 11.515 -1.948 1.00 0.20 C ATOM 663 C GLY A 262 6.220 10.750 -3.177 1.00 0.22 C ATOM 664 O GLY A 262 5.914 11.334 -4.219 1.00 0.31 O ATOM 0 H GLY A 262 6.091 10.262 -0.371 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.845 12.212 -1.668 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.521 12.110 -2.170 1.00 0.20 H new ATOM 668 N GLU A 263 6.213 9.433 -3.060 1.00 0.16 N ATOM 669 CA GLU A 263 5.874 8.585 -4.173 1.00 0.18 C ATOM 670 C GLU A 263 4.561 7.871 -3.904 1.00 0.15 C ATOM 671 O GLU A 263 3.930 8.089 -2.869 1.00 0.19 O ATOM 672 CB GLU A 263 6.995 7.580 -4.434 1.00 0.23 C ATOM 673 CG GLU A 263 8.375 8.218 -4.445 1.00 0.26 C ATOM 674 CD GLU A 263 9.376 7.410 -5.242 1.00 0.61 C ATOM 675 OE1 GLU A 263 9.465 7.604 -6.468 1.00 1.04 O ATOM 676 OE2 GLU A 263 10.088 6.576 -4.637 1.00 1.02 O ATOM 0 H GLU A 263 6.440 8.934 -2.200 1.00 0.16 H new ATOM 0 HA GLU A 263 5.755 9.201 -5.064 1.00 0.18 H new ATOM 0 HB2 GLU A 263 6.966 6.805 -3.669 1.00 0.23 H new ATOM 0 HB3 GLU A 263 6.820 7.090 -5.392 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.305 9.222 -4.865 1.00 0.26 H new ATOM 0 HG3 GLU A 263 8.731 8.325 -3.420 1.00 0.26 H new ATOM 683 N LEU A 264 4.153 7.027 -4.825 1.00 0.14 N ATOM 684 CA LEU A 264 2.885 6.339 -4.709 1.00 0.13 C ATOM 685 C LEU A 264 3.050 4.890 -5.101 1.00 0.15 C ATOM 686 O LEU A 264 3.984 4.534 -5.816 1.00 0.24 O ATOM 687 CB LEU A 264 1.841 7.019 -5.599 1.00 0.15 C ATOM 688 CG LEU A 264 0.389 6.624 -5.339 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.100 7.250 -4.047 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.489 7.042 -6.507 1.00 0.18 C ATOM 0 H LEU A 264 4.683 6.799 -5.666 1.00 0.14 H new ATOM 0 HA LEU A 264 2.544 6.384 -3.675 1.00 0.13 H new ATOM 0 HB2 LEU A 264 1.932 8.098 -5.475 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.078 6.797 -6.640 1.00 0.15 H new ATOM 0 HG LEU A 264 0.331 5.540 -5.239 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.136 6.961 -3.872 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.518 6.904 -3.218 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.033 8.335 -4.121 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.521 6.754 -6.308 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.432 8.123 -6.636 1.00 0.18 H new ATOM 0 HD23 LEU A 264 -0.144 6.549 -7.416 1.00 0.18 H new ATOM 702 N VAL A 265 2.141 4.061 -4.630 1.00 0.14 N ATOM 703 CA VAL A 265 2.219 2.643 -4.865 1.00 0.15 C ATOM 704 C VAL A 265 0.808 2.142 -5.049 1.00 0.15 C ATOM 705 O VAL A 265 -0.145 2.858 -4.738 1.00 0.27 O ATOM 706 CB VAL A 265 2.897 1.908 -3.676 1.00 0.20 C ATOM 707 CG1 VAL A 265 1.960 1.829 -2.498 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.348 0.517 -4.058 1.00 0.41 C ATOM 0 H VAL A 265 1.335 4.353 -4.078 1.00 0.14 H new ATOM 0 HA VAL A 265 2.825 2.446 -5.749 1.00 0.15 H new ATOM 0 HB VAL A 265 3.778 2.488 -3.402 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.453 1.311 -1.675 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.688 2.836 -2.182 1.00 0.40 H new ATOM 0 HG13 VAL A 265 1.061 1.283 -2.784 1.00 0.40 H new ATOM 0 HG21 VAL A 265 3.817 0.038 -3.199 1.00 0.41 H new ATOM 0 HG22 VAL A 265 2.487 -0.070 -4.376 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.066 0.579 -4.875 1.00 0.41 H new ATOM 718 N LYS A 266 0.660 0.946 -5.553 1.00 0.13 N ATOM 719 CA LYS A 266 -0.647 0.366 -5.647 1.00 0.15 C ATOM 720 C LYS A 266 -0.638 -0.908 -4.816 1.00 0.13 C ATOM 721 O LYS A 266 -0.053 -1.924 -5.181 1.00 0.14 O ATOM 722 CB LYS A 266 -1.065 0.177 -7.132 1.00 0.24 C ATOM 723 CG LYS A 266 -0.621 -1.109 -7.821 1.00 0.85 C ATOM 724 CD LYS A 266 -1.602 -2.246 -7.566 1.00 0.49 C ATOM 725 CE LYS A 266 -1.218 -3.507 -8.330 1.00 0.82 C ATOM 726 NZ LYS A 266 -1.445 -3.371 -9.795 1.00 1.32 N ATOM 0 H LYS A 266 1.421 0.362 -5.901 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.416 1.023 -5.240 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -2.152 0.232 -7.187 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.674 1.019 -7.703 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -0.533 -0.937 -8.894 1.00 0.85 H new ATOM 0 HG3 LYS A 266 0.368 -1.393 -7.462 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.636 -2.464 -6.499 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -2.604 -1.934 -7.860 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -0.168 -3.734 -8.147 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -1.797 -4.349 -7.951 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -1.267 -4.284 -10.260 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -2.428 -3.080 -9.968 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -0.799 -2.654 -10.181 1.00 1.32 H new ATOM 740 N VAL A 267 -1.200 -0.807 -3.631 1.00 0.16 N ATOM 741 CA VAL A 267 -1.275 -1.938 -2.746 1.00 0.16 C ATOM 742 C VAL A 267 -2.251 -2.969 -3.313 1.00 0.17 C ATOM 743 O VAL A 267 -3.442 -2.703 -3.446 1.00 0.25 O ATOM 744 CB VAL A 267 -1.740 -1.532 -1.338 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.472 -2.628 -0.355 1.00 0.55 C ATOM 746 CG2 VAL A 267 -1.095 -0.250 -0.861 1.00 0.63 C ATOM 0 H VAL A 267 -1.611 0.050 -3.262 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.274 -2.362 -2.667 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.814 -1.356 -1.405 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.809 -2.319 0.635 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -2.009 -3.527 -0.657 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.403 -2.837 -0.326 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.458 -0.010 0.138 1.00 0.63 H new ATOM 0 HG22 VAL A 267 -0.013 -0.376 -0.833 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.348 0.561 -1.544 1.00 0.63 H new ATOM 756 N THR A 268 -1.727 -4.121 -3.675 1.00 0.15 N ATOM 757 CA THR A 268 -2.524 -5.203 -4.201 1.00 0.19 C ATOM 758 C THR A 268 -2.893 -6.187 -3.082 1.00 0.22 C ATOM 759 O THR A 268 -3.709 -7.093 -3.268 1.00 0.34 O ATOM 760 CB THR A 268 -1.754 -5.909 -5.337 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.534 -6.965 -5.911 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.416 -6.445 -4.840 1.00 0.29 C ATOM 0 H THR A 268 -0.731 -4.332 -3.611 1.00 0.15 H new ATOM 0 HA THR A 268 -3.452 -4.804 -4.610 1.00 0.19 H new ATOM 0 HB THR A 268 -1.560 -5.169 -6.113 1.00 0.24 H new ATOM 0 HG1 THR A 268 -3.250 -7.217 -5.291 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.106 -6.938 -5.660 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.191 -5.620 -4.467 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.587 -7.161 -4.036 1.00 0.29 H new ATOM 770 N LYS A 269 -2.295 -5.990 -1.908 1.00 0.18 N ATOM 771 CA LYS A 269 -2.570 -6.820 -0.742 1.00 0.20 C ATOM 772 C LYS A 269 -3.180 -5.969 0.349 1.00 0.22 C ATOM 773 O LYS A 269 -2.525 -5.090 0.859 1.00 0.35 O ATOM 774 CB LYS A 269 -1.270 -7.456 -0.241 1.00 0.23 C ATOM 775 CG LYS A 269 -1.460 -8.468 0.881 1.00 0.40 C ATOM 776 CD LYS A 269 -1.154 -9.888 0.420 1.00 1.55 C ATOM 777 CE LYS A 269 -1.968 -10.276 -0.802 1.00 2.25 C ATOM 778 NZ LYS A 269 -1.724 -11.684 -1.211 1.00 2.84 N ATOM 0 H LYS A 269 -1.610 -5.253 -1.741 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.269 -7.610 -1.016 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.774 -7.947 -1.078 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.603 -6.667 0.106 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -0.811 -8.210 1.717 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -2.486 -8.417 1.246 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.092 -9.974 0.191 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -1.362 -10.586 1.231 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -3.028 -10.139 -0.589 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -1.720 -9.610 -1.629 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -2.299 -11.907 -2.048 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -0.717 -11.810 -1.439 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -1.985 -12.322 -0.432 1.00 2.84 H new ATOM 792 N ILE A 270 -4.430 -6.215 0.707 1.00 0.33 N ATOM 793 CA ILE A 270 -5.085 -5.359 1.688 1.00 0.39 C ATOM 794 C ILE A 270 -4.724 -5.755 3.113 1.00 0.55 C ATOM 795 O ILE A 270 -4.661 -6.933 3.459 1.00 0.73 O ATOM 796 CB ILE A 270 -6.615 -5.311 1.511 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.263 -6.665 1.800 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.929 -4.853 0.099 1.00 1.09 C ATOM 799 CD1 ILE A 270 -8.776 -6.647 1.718 1.00 1.90 C ATOM 0 H ILE A 270 -5.001 -6.979 0.345 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.707 -4.353 1.506 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.030 -4.605 2.230 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -6.879 -7.400 1.093 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -6.966 -6.995 2.796 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -8.010 -4.815 -0.039 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.507 -3.861 -0.064 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.496 -5.553 -0.615 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -9.164 -7.642 1.935 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -9.171 -5.937 2.445 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -9.083 -6.349 0.715 1.00 1.90 H new ATOM 811 N ASN A 271 -4.449 -4.739 3.908 1.00 0.60 N ATOM 812 CA ASN A 271 -4.030 -4.906 5.296 1.00 0.82 C ATOM 813 C ASN A 271 -5.152 -5.403 6.204 1.00 0.70 C ATOM 814 O ASN A 271 -6.334 -5.175 5.947 1.00 0.87 O ATOM 815 CB ASN A 271 -3.507 -3.574 5.842 1.00 1.17 C ATOM 816 CG ASN A 271 -4.586 -2.504 6.024 1.00 1.58 C ATOM 817 OD1 ASN A 271 -4.457 -1.632 6.874 1.00 2.28 O ATOM 818 ND2 ASN A 271 -5.667 -2.574 5.262 1.00 1.88 N ATOM 0 H ASN A 271 -4.509 -3.765 3.611 1.00 0.60 H new ATOM 0 HA ASN A 271 -3.247 -5.664 5.296 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -3.023 -3.753 6.802 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -2.743 -3.192 5.166 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -6.416 -1.892 5.376 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -5.750 -3.310 4.561 1.00 1.88 H new ATOM 825 N MET A 272 -4.756 -6.082 7.272 1.00 0.81 N ATOM 826 CA MET A 272 -5.668 -6.412 8.359 1.00 0.97 C ATOM 827 C MET A 272 -5.308 -5.594 9.595 1.00 1.02 C ATOM 828 O MET A 272 -6.175 -5.185 10.362 1.00 1.22 O ATOM 829 CB MET A 272 -5.620 -7.913 8.686 1.00 1.24 C ATOM 830 CG MET A 272 -4.244 -8.414 9.105 1.00 1.30 C ATOM 831 SD MET A 272 -4.232 -10.163 9.547 1.00 2.03 S ATOM 832 CE MET A 272 -5.323 -10.162 10.971 1.00 2.52 C ATOM 0 H MET A 272 -3.802 -6.417 7.409 1.00 0.81 H new ATOM 0 HA MET A 272 -6.683 -6.169 8.044 1.00 0.97 H new ATOM 0 HB2 MET A 272 -6.330 -8.123 9.486 1.00 1.24 H new ATOM 0 HB3 MET A 272 -5.949 -8.475 7.812 1.00 1.24 H new ATOM 0 HG2 MET A 272 -3.539 -8.246 8.290 1.00 1.30 H new ATOM 0 HG3 MET A 272 -3.894 -7.828 9.955 1.00 1.30 H new ATOM 0 HE1 MET A 272 -5.161 -11.069 11.554 1.00 2.52 H new ATOM 0 HE2 MET A 272 -5.112 -9.290 11.590 1.00 2.52 H new ATOM 0 HE3 MET A 272 -6.359 -10.127 10.635 1.00 2.52 H new ATOM 842 N SER A 273 -4.018 -5.328 9.748 1.00 0.93 N ATOM 843 CA SER A 273 -3.495 -4.635 10.920 1.00 1.02 C ATOM 844 C SER A 273 -2.748 -3.361 10.509 1.00 0.91 C ATOM 845 O SER A 273 -1.922 -2.840 11.257 1.00 1.14 O ATOM 846 CB SER A 273 -2.547 -5.576 11.670 1.00 1.14 C ATOM 847 OG SER A 273 -3.143 -6.850 11.860 1.00 1.50 O ATOM 0 H SER A 273 -3.305 -5.585 9.065 1.00 0.93 H new ATOM 0 HA SER A 273 -4.325 -4.348 11.566 1.00 1.02 H new ATOM 0 HB2 SER A 273 -1.618 -5.685 11.110 1.00 1.14 H new ATOM 0 HB3 SER A 273 -2.288 -5.143 12.636 1.00 1.14 H new ATOM 0 HG SER A 273 -2.519 -7.435 12.339 1.00 1.50 H new ATOM 853 N GLY A 274 -3.058 -2.854 9.323 1.00 0.64 N ATOM 854 CA GLY A 274 -2.313 -1.734 8.783 1.00 0.61 C ATOM 855 C GLY A 274 -0.996 -2.179 8.203 1.00 0.49 C ATOM 856 O GLY A 274 -0.055 -1.412 8.131 1.00 0.57 O ATOM 0 H GLY A 274 -3.811 -3.198 8.726 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -2.904 -1.240 8.012 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.137 -0.999 9.569 1.00 0.61 H new ATOM 860 N GLN A 275 -0.925 -3.437 7.824 1.00 0.41 N ATOM 861 CA GLN A 275 0.272 -3.982 7.226 1.00 0.40 C ATOM 862 C GLN A 275 -0.073 -4.695 5.923 1.00 0.32 C ATOM 863 O GLN A 275 -0.525 -5.840 5.933 1.00 0.41 O ATOM 864 CB GLN A 275 0.966 -4.914 8.219 1.00 0.56 C ATOM 865 CG GLN A 275 2.330 -5.403 7.764 1.00 0.69 C ATOM 866 CD GLN A 275 3.153 -5.972 8.906 1.00 0.76 C ATOM 867 OE1 GLN A 275 3.952 -6.887 8.716 1.00 1.36 O ATOM 868 NE2 GLN A 275 2.976 -5.419 10.101 1.00 0.81 N ATOM 0 H GLN A 275 -1.690 -4.105 7.921 1.00 0.41 H new ATOM 0 HA GLN A 275 0.964 -3.175 6.985 1.00 0.40 H new ATOM 0 HB2 GLN A 275 1.077 -4.395 9.171 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.325 -5.777 8.400 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.202 -6.167 6.997 1.00 0.69 H new ATOM 0 HG3 GLN A 275 2.874 -4.578 7.304 1.00 0.69 H new ATOM 0 HE21 GLN A 275 2.303 -4.661 10.218 1.00 0.81 H new ATOM 0 HE22 GLN A 275 3.513 -5.752 10.902 1.00 0.81 H new ATOM 877 N TRP A 276 0.078 -3.987 4.814 1.00 0.22 N ATOM 878 CA TRP A 276 -0.224 -4.530 3.504 1.00 0.17 C ATOM 879 C TRP A 276 1.040 -4.679 2.670 1.00 0.15 C ATOM 880 O TRP A 276 2.121 -4.236 3.065 1.00 0.19 O ATOM 881 CB TRP A 276 -1.229 -3.635 2.761 1.00 0.18 C ATOM 882 CG TRP A 276 -1.222 -2.191 3.190 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.145 -1.449 3.586 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.349 -1.309 3.238 1.00 0.28 C ATOM 885 NE1 TRP A 276 -0.540 -0.181 3.918 1.00 0.31 N ATOM 886 CE2 TRP A 276 -1.884 -0.063 3.700 1.00 0.31 C ATOM 887 CE3 TRP A 276 -3.704 -1.450 2.947 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -2.724 1.027 3.876 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -4.537 -0.364 3.119 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.045 0.859 3.582 1.00 0.47 C ATOM 0 H TRP A 276 0.412 -3.023 4.799 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.666 -5.515 3.651 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -1.018 -3.684 1.693 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.231 -4.038 2.907 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.872 -1.811 3.631 1.00 0.26 H new ATOM 0 HE1 TRP A 276 0.070 0.556 4.271 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.095 -2.392 2.593 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -2.346 1.974 4.233 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -5.588 -0.461 2.892 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -4.725 1.688 3.710 1.00 0.47 H new ATOM 901 N GLU A 277 0.885 -5.301 1.515 1.00 0.12 N ATOM 902 CA GLU A 277 1.967 -5.455 0.575 1.00 0.12 C ATOM 903 C GLU A 277 1.742 -4.523 -0.593 1.00 0.11 C ATOM 904 O GLU A 277 0.679 -4.545 -1.187 1.00 0.12 O ATOM 905 CB GLU A 277 2.029 -6.885 0.051 1.00 0.14 C ATOM 906 CG GLU A 277 2.676 -7.862 1.011 1.00 0.19 C ATOM 907 CD GLU A 277 2.916 -9.220 0.388 1.00 1.21 C ATOM 908 OE1 GLU A 277 2.091 -9.657 -0.440 1.00 1.55 O ATOM 909 OE2 GLU A 277 3.949 -9.847 0.705 1.00 2.07 O ATOM 0 H GLU A 277 0.003 -5.712 1.208 1.00 0.12 H new ATOM 0 HA GLU A 277 2.903 -5.221 1.082 1.00 0.12 H new ATOM 0 HB2 GLU A 277 1.017 -7.225 -0.171 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.581 -6.894 -0.889 1.00 0.14 H new ATOM 0 HG2 GLU A 277 3.625 -7.452 1.356 1.00 0.19 H new ATOM 0 HG3 GLU A 277 2.041 -7.977 1.889 1.00 0.19 H new ATOM 916 N GLY A 278 2.730 -3.728 -0.939 1.00 0.13 N ATOM 917 CA GLY A 278 2.579 -2.827 -2.055 1.00 0.12 C ATOM 918 C GLY A 278 3.104 -3.429 -3.316 1.00 0.12 C ATOM 919 O GLY A 278 3.862 -4.396 -3.289 1.00 0.15 O ATOM 0 H GLY A 278 3.635 -3.688 -0.470 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.526 -2.575 -2.181 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.107 -1.896 -1.847 1.00 0.12 H new ATOM 923 N GLU A 279 2.695 -2.864 -4.417 1.00 0.11 N ATOM 924 CA GLU A 279 3.260 -3.213 -5.687 1.00 0.14 C ATOM 925 C GLU A 279 3.413 -1.919 -6.470 1.00 0.17 C ATOM 926 O GLU A 279 2.428 -1.236 -6.752 1.00 0.20 O ATOM 927 CB GLU A 279 2.333 -4.203 -6.400 1.00 0.20 C ATOM 928 CG GLU A 279 3.019 -5.080 -7.433 1.00 0.31 C ATOM 929 CD GLU A 279 2.098 -6.157 -7.968 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.992 -7.230 -7.333 1.00 2.07 O ATOM 931 OE2 GLU A 279 1.471 -5.937 -9.024 1.00 1.27 O ATOM 0 H GLU A 279 1.965 -2.153 -4.458 1.00 0.11 H new ATOM 0 HA GLU A 279 4.231 -3.698 -5.585 1.00 0.14 H new ATOM 0 HB2 GLU A 279 1.864 -4.843 -5.653 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.534 -3.645 -6.889 1.00 0.20 H new ATOM 0 HG2 GLU A 279 3.370 -4.461 -8.258 1.00 0.31 H new ATOM 0 HG3 GLU A 279 3.899 -5.544 -6.987 1.00 0.31 H new ATOM 938 N CYS A 280 4.637 -1.562 -6.802 1.00 0.20 N ATOM 939 CA CYS A 280 4.888 -0.278 -7.419 1.00 0.27 C ATOM 940 C CYS A 280 5.637 -0.434 -8.713 1.00 0.29 C ATOM 941 O CYS A 280 6.860 -0.561 -8.715 1.00 0.33 O ATOM 942 CB CYS A 280 5.672 0.633 -6.472 1.00 0.39 C ATOM 943 SG CYS A 280 5.942 2.303 -7.107 1.00 0.51 S ATOM 0 H CYS A 280 5.466 -2.138 -6.656 1.00 0.20 H new ATOM 0 HA CYS A 280 3.922 0.179 -7.632 1.00 0.27 H new ATOM 0 HB2 CYS A 280 5.138 0.699 -5.524 1.00 0.39 H new ATOM 0 HB3 CYS A 280 6.639 0.175 -6.263 1.00 0.39 H new ATOM 0 HG CYS A 280 5.127 3.128 -6.519 1.00 0.51 H new ATOM 949 N ASN A 281 4.879 -0.439 -9.804 1.00 0.37 N ATOM 950 CA ASN A 281 5.438 -0.461 -11.148 1.00 0.49 C ATOM 951 C ASN A 281 6.542 -1.505 -11.262 1.00 0.45 C ATOM 952 O ASN A 281 7.577 -1.284 -11.892 1.00 0.53 O ATOM 953 CB ASN A 281 5.929 0.940 -11.527 1.00 0.63 C ATOM 954 CG ASN A 281 4.772 1.919 -11.651 1.00 0.80 C ATOM 955 OD1 ASN A 281 4.210 2.104 -12.731 1.00 1.44 O ATOM 956 ND2 ASN A 281 4.389 2.542 -10.540 1.00 0.97 N ATOM 0 H ASN A 281 3.859 -0.428 -9.780 1.00 0.37 H new ATOM 0 HA ASN A 281 4.660 -0.749 -11.855 1.00 0.49 H new ATOM 0 HB2 ASN A 281 6.631 1.297 -10.773 1.00 0.63 H new ATOM 0 HB3 ASN A 281 6.471 0.894 -12.471 1.00 0.63 H new ATOM 0 HD21 ASN A 281 3.607 3.197 -10.566 1.00 0.97 H new ATOM 0 HD22 ASN A 281 4.877 2.365 -9.662 1.00 0.97 H new ATOM 963 N GLY A 282 6.286 -2.656 -10.655 1.00 0.37 N ATOM 964 CA GLY A 282 7.188 -3.773 -10.757 1.00 0.39 C ATOM 965 C GLY A 282 7.986 -4.055 -9.497 1.00 0.34 C ATOM 966 O GLY A 282 8.718 -5.044 -9.447 1.00 0.46 O ATOM 0 H GLY A 282 5.457 -2.831 -10.088 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.615 -4.664 -11.016 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.882 -3.590 -11.578 1.00 0.39 H new ATOM 970 N LYS A 283 7.880 -3.209 -8.480 1.00 0.25 N ATOM 971 CA LYS A 283 8.373 -3.583 -7.170 1.00 0.23 C ATOM 972 C LYS A 283 7.224 -4.101 -6.323 1.00 0.14 C ATOM 973 O LYS A 283 6.102 -3.629 -6.432 1.00 0.17 O ATOM 974 CB LYS A 283 9.065 -2.412 -6.468 1.00 0.33 C ATOM 975 CG LYS A 283 10.139 -1.771 -7.308 1.00 0.74 C ATOM 976 CD LYS A 283 9.969 -0.268 -7.344 1.00 0.61 C ATOM 977 CE LYS A 283 11.147 0.391 -8.025 1.00 1.28 C ATOM 978 NZ LYS A 283 11.171 0.130 -9.486 1.00 1.93 N ATOM 0 H LYS A 283 7.465 -2.279 -8.538 1.00 0.25 H new ATOM 0 HA LYS A 283 9.117 -4.369 -7.299 1.00 0.23 H new ATOM 0 HB2 LYS A 283 8.320 -1.661 -6.207 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.504 -2.764 -5.534 1.00 0.33 H new ATOM 0 HG2 LYS A 283 11.120 -2.021 -6.904 1.00 0.74 H new ATOM 0 HG3 LYS A 283 10.101 -2.170 -8.322 1.00 0.74 H new ATOM 0 HD2 LYS A 283 9.050 -0.014 -7.872 1.00 0.61 H new ATOM 0 HD3 LYS A 283 9.869 0.115 -6.329 1.00 0.61 H new ATOM 0 HE2 LYS A 283 11.110 1.466 -7.851 1.00 1.28 H new ATOM 0 HE3 LYS A 283 12.072 0.028 -7.578 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 11.996 0.601 -9.909 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 11.233 -0.894 -9.655 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 10.301 0.500 -9.919 1.00 1.93 H new ATOM 992 N ARG A 284 7.511 -5.088 -5.514 1.00 0.16 N ATOM 993 CA ARG A 284 6.554 -5.641 -4.580 1.00 0.12 C ATOM 994 C ARG A 284 7.103 -5.379 -3.185 1.00 0.13 C ATOM 995 O ARG A 284 8.148 -4.759 -3.073 1.00 0.20 O ATOM 996 CB ARG A 284 6.362 -7.142 -4.856 1.00 0.18 C ATOM 997 CG ARG A 284 5.358 -7.849 -3.950 1.00 0.21 C ATOM 998 CD ARG A 284 3.919 -7.471 -4.252 1.00 0.26 C ATOM 999 NE ARG A 284 3.002 -8.200 -3.374 1.00 0.41 N ATOM 1000 CZ ARG A 284 1.957 -8.909 -3.800 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.623 -8.916 -5.084 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.232 -9.603 -2.933 1.00 0.67 N ATOM 0 H ARG A 284 8.426 -5.538 -5.482 1.00 0.16 H new ATOM 0 HA ARG A 284 5.572 -5.180 -4.680 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.043 -7.266 -5.891 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.327 -7.639 -4.758 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.475 -8.927 -4.059 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.581 -7.607 -2.911 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.783 -6.398 -4.119 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.689 -7.695 -5.294 1.00 0.26 H new ATOM 0 HE ARG A 284 3.174 -8.163 -2.369 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.168 -8.375 -5.756 1.00 0.57 H new ATOM 0 HH12 ARG A 284 0.821 -9.462 -5.399 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.475 -9.593 -1.942 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.432 -10.146 -3.257 1.00 0.67 H new ATOM 1016 N GLY A 285 6.369 -5.719 -2.143 1.00 0.14 N ATOM 1017 CA GLY A 285 6.942 -5.707 -0.813 1.00 0.18 C ATOM 1018 C GLY A 285 5.872 -5.593 0.228 1.00 0.14 C ATOM 1019 O GLY A 285 4.710 -5.729 -0.094 1.00 0.15 O ATOM 0 H GLY A 285 5.390 -6.003 -2.190 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.516 -6.619 -0.652 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.637 -4.872 -0.719 1.00 0.18 H new ATOM 1023 N HIS A 286 6.244 -5.331 1.469 1.00 0.15 N ATOM 1024 CA HIS A 286 5.256 -5.121 2.515 1.00 0.13 C ATOM 1025 C HIS A 286 5.690 -3.999 3.453 1.00 0.15 C ATOM 1026 O HIS A 286 6.836 -3.954 3.903 1.00 0.20 O ATOM 1027 CB HIS A 286 4.959 -6.423 3.283 1.00 0.18 C ATOM 1028 CG HIS A 286 6.166 -7.165 3.792 1.00 0.26 C ATOM 1029 ND1 HIS A 286 6.173 -8.522 4.022 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.400 -6.733 4.109 1.00 0.67 C ATOM 1031 CE1 HIS A 286 7.366 -8.884 4.461 1.00 0.65 C ATOM 1032 NE2 HIS A 286 8.132 -7.814 4.527 1.00 0.52 N ATOM 0 H HIS A 286 7.214 -5.259 1.776 1.00 0.15 H new ATOM 0 HA HIS A 286 4.325 -4.814 2.039 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.316 -6.186 4.131 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.394 -7.088 2.630 1.00 0.18 H new ATOM 0 HD2 HIS A 286 7.752 -5.714 4.045 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.663 -9.889 4.722 1.00 0.65 H new ATOM 0 HE2 HIS A 286 9.104 -7.794 4.836 1.00 0.52 H new ATOM 1041 N PHE A 287 4.779 -3.078 3.719 1.00 0.14 N ATOM 1042 CA PHE A 287 5.084 -1.906 4.532 1.00 0.17 C ATOM 1043 C PHE A 287 3.834 -1.411 5.257 1.00 0.20 C ATOM 1044 O PHE A 287 2.785 -1.238 4.643 1.00 0.29 O ATOM 1045 CB PHE A 287 5.680 -0.792 3.662 1.00 0.20 C ATOM 1046 CG PHE A 287 7.143 -0.961 3.368 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.085 -0.824 4.376 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.578 -1.243 2.086 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.432 -0.967 4.107 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.923 -1.383 1.810 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.852 -1.246 2.824 1.00 0.30 C ATOM 0 H PHE A 287 3.817 -3.117 3.383 1.00 0.14 H new ATOM 0 HA PHE A 287 5.822 -2.191 5.282 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.133 -0.750 2.720 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.529 0.165 4.162 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.762 -0.603 5.383 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.856 -1.355 1.291 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.156 -0.860 4.901 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.249 -1.599 0.803 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.905 -1.357 2.612 1.00 0.30 H new ATOM 1061 N PRO A 288 3.943 -1.176 6.577 1.00 0.22 N ATOM 1062 CA PRO A 288 2.798 -0.807 7.422 1.00 0.26 C ATOM 1063 C PRO A 288 2.237 0.597 7.159 1.00 0.24 C ATOM 1064 O PRO A 288 2.840 1.418 6.456 1.00 0.28 O ATOM 1065 CB PRO A 288 3.361 -0.893 8.843 1.00 0.33 C ATOM 1066 CG PRO A 288 4.826 -0.694 8.691 1.00 0.54 C ATOM 1067 CD PRO A 288 5.192 -1.281 7.354 1.00 0.32 C ATOM 0 HA PRO A 288 1.952 -1.465 7.225 1.00 0.26 H new ATOM 0 HB2 PRO A 288 2.924 -0.130 9.487 1.00 0.33 H new ATOM 0 HB3 PRO A 288 3.139 -1.859 9.297 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.082 0.365 8.735 1.00 0.54 H new ATOM 0 HG3 PRO A 288 5.372 -1.187 9.495 1.00 0.54 H new ATOM 0 HD2 PRO A 288 6.005 -0.729 6.883 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.521 -2.316 7.447 1.00 0.32 H new ATOM 1075 N PHE A 289 1.080 0.853 7.773 1.00 0.31 N ATOM 1076 CA PHE A 289 0.326 2.097 7.625 1.00 0.37 C ATOM 1077 C PHE A 289 1.022 3.239 8.370 1.00 0.33 C ATOM 1078 O PHE A 289 0.647 4.403 8.251 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.090 1.896 8.195 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.180 2.689 7.513 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.055 4.053 7.296 1.00 1.07 C ATOM 1082 CD2 PHE A 289 -3.345 2.059 7.099 1.00 0.84 C ATOM 1083 CE1 PHE A 289 -3.063 4.771 6.679 1.00 1.12 C ATOM 1084 CE2 PHE A 289 -4.356 2.772 6.481 1.00 0.81 C ATOM 1085 CZ PHE A 289 -4.215 4.129 6.271 1.00 0.50 C ATOM 0 H PHE A 289 0.632 0.185 8.401 1.00 0.31 H new ATOM 0 HA PHE A 289 0.270 2.357 6.568 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.341 0.837 8.134 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.079 2.160 9.252 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -1.157 4.562 7.614 1.00 1.07 H new ATOM 0 HD2 PHE A 289 -3.464 0.998 7.262 1.00 0.84 H new ATOM 0 HE1 PHE A 289 -2.949 5.833 6.517 1.00 1.12 H new ATOM 0 HE2 PHE A 289 -5.256 2.267 6.163 1.00 0.81 H new ATOM 0 HZ PHE A 289 -5.004 4.687 5.789 1.00 0.50 H new ATOM 1095 N THR A 290 2.064 2.889 9.107 1.00 0.33 N ATOM 1096 CA THR A 290 2.742 3.801 10.012 1.00 0.41 C ATOM 1097 C THR A 290 3.348 5.022 9.302 1.00 0.38 C ATOM 1098 O THR A 290 3.718 6.003 9.949 1.00 0.57 O ATOM 1099 CB THR A 290 3.859 3.039 10.739 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.708 2.408 9.771 1.00 0.50 O ATOM 1101 CG2 THR A 290 3.284 1.980 11.672 1.00 0.61 C ATOM 0 H THR A 290 2.467 1.952 9.093 1.00 0.33 H new ATOM 0 HA THR A 290 1.994 4.177 10.710 1.00 0.41 H new ATOM 0 HB THR A 290 4.430 3.750 11.336 1.00 0.51 H new ATOM 0 HG1 THR A 290 5.424 1.922 10.231 1.00 0.50 H new ATOM 0 HG21 THR A 290 4.098 1.456 12.173 1.00 0.61 H new ATOM 0 HG22 THR A 290 2.647 2.458 12.416 1.00 0.61 H new ATOM 0 HG23 THR A 290 2.695 1.267 11.095 1.00 0.61 H new ATOM 1109 N HIS A 291 3.421 4.980 7.974 1.00 0.25 N ATOM 1110 CA HIS A 291 4.139 5.999 7.214 1.00 0.26 C ATOM 1111 C HIS A 291 3.606 6.089 5.789 1.00 0.23 C ATOM 1112 O HIS A 291 4.333 6.438 4.854 1.00 0.26 O ATOM 1113 CB HIS A 291 5.648 5.703 7.213 1.00 0.35 C ATOM 1114 CG HIS A 291 6.002 4.262 6.977 1.00 0.40 C ATOM 1115 ND1 HIS A 291 7.080 3.652 7.574 1.00 1.01 N ATOM 1116 CD2 HIS A 291 5.414 3.310 6.213 1.00 1.26 C ATOM 1117 CE1 HIS A 291 7.142 2.394 7.191 1.00 0.72 C ATOM 1118 NE2 HIS A 291 6.139 2.153 6.364 1.00 0.88 N ATOM 0 H HIS A 291 2.992 4.252 7.403 1.00 0.25 H new ATOM 0 HA HIS A 291 3.977 6.963 7.695 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.124 6.311 6.444 1.00 0.35 H new ATOM 0 HB3 HIS A 291 6.067 6.014 8.170 1.00 0.35 H new ATOM 0 HD1 HIS A 291 7.732 4.105 8.215 1.00 1.01 H new ATOM 0 HD2 HIS A 291 4.536 3.438 5.598 1.00 1.26 H new ATOM 0 HE1 HIS A 291 7.888 1.678 7.501 1.00 0.72 H new ATOM 1127 N VAL A 292 2.332 5.759 5.633 1.00 0.21 N ATOM 1128 CA VAL A 292 1.661 5.865 4.349 1.00 0.21 C ATOM 1129 C VAL A 292 0.327 6.582 4.492 1.00 0.24 C ATOM 1130 O VAL A 292 -0.207 6.719 5.592 1.00 0.32 O ATOM 1131 CB VAL A 292 1.422 4.487 3.717 1.00 0.23 C ATOM 1132 CG1 VAL A 292 2.742 3.831 3.377 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.625 3.610 4.651 1.00 0.51 C ATOM 0 H VAL A 292 1.740 5.413 6.388 1.00 0.21 H new ATOM 0 HA VAL A 292 2.318 6.440 3.697 1.00 0.21 H new ATOM 0 HB VAL A 292 0.852 4.620 2.798 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.558 2.854 2.929 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.288 4.457 2.671 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.332 3.709 4.285 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.464 2.637 4.188 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.172 3.481 5.585 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.338 4.078 4.856 1.00 0.51 H new ATOM 1143 N ARG A 293 -0.191 7.039 3.369 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.439 7.777 3.318 1.00 0.24 C ATOM 1145 C ARG A 293 -2.262 7.280 2.153 1.00 0.24 C ATOM 1146 O ARG A 293 -1.900 7.496 1.008 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.138 9.259 3.145 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.276 9.825 4.261 1.00 0.38 C ATOM 1149 CD ARG A 293 -1.086 10.023 5.531 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.288 10.577 6.620 1.00 0.55 N ATOM 1151 CZ ARG A 293 0.070 9.895 7.707 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.232 8.607 7.823 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.736 10.506 8.679 1.00 0.74 N ATOM 0 H ARG A 293 0.246 6.907 2.457 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.997 7.629 4.242 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.634 9.413 2.191 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.076 9.812 3.102 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.557 9.151 4.459 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.152 10.777 3.947 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.924 10.688 5.324 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.507 9.067 5.843 1.00 0.45 H new ATOM 0 HE ARG A 293 0.015 11.548 6.544 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -0.741 8.133 7.077 1.00 0.69 H new ATOM 0 HH12 ARG A 293 0.045 8.091 8.658 1.00 0.69 H new ATOM 0 HH21 ARG A 293 0.972 11.495 8.592 1.00 0.74 H new ATOM 0 HH22 ARG A 293 1.012 9.987 9.513 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.363 6.618 2.428 1.00 0.23 N ATOM 1168 CA LEU A 294 -4.047 5.881 1.383 1.00 0.26 C ATOM 1169 C LEU A 294 -4.945 6.751 0.530 1.00 0.27 C ATOM 1170 O LEU A 294 -5.660 7.638 0.999 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.833 4.713 1.964 1.00 0.38 C ATOM 1172 CG LEU A 294 -5.154 3.597 0.980 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -3.876 2.894 0.572 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -6.148 2.622 1.587 1.00 1.31 C ATOM 0 H LEU A 294 -3.800 6.573 3.348 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.268 5.495 0.725 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -4.267 4.292 2.795 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.768 5.093 2.376 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.613 4.025 0.089 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -4.109 2.096 -0.132 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -3.202 3.609 0.100 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -3.396 2.471 1.454 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -6.366 1.831 0.870 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -5.724 2.185 2.491 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -7.069 3.149 1.837 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.850 6.451 -0.742 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.592 7.081 -1.801 1.00 0.31 C ATOM 1188 C LEU A 295 -6.637 6.121 -2.350 1.00 0.36 C ATOM 1189 O LEU A 295 -7.198 6.356 -3.407 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.642 7.435 -2.927 1.00 0.33 C ATOM 1191 CG LEU A 295 -3.870 8.739 -2.807 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -2.899 8.701 -1.643 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.140 8.983 -4.108 1.00 0.39 C ATOM 0 H LEU A 295 -4.221 5.724 -1.081 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.079 7.973 -1.408 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -3.920 6.624 -3.026 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.215 7.467 -3.854 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.566 9.555 -2.613 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.363 9.648 -1.585 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.449 8.538 -0.716 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.186 7.889 -1.790 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -2.580 9.915 -4.041 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -2.452 8.159 -4.299 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -3.861 9.051 -4.923 1.00 0.39 H new ATOM 1205 N ASP A 296 -6.779 4.995 -1.671 1.00 0.55 N ATOM 1206 CA ASP A 296 -7.820 3.999 -1.942 1.00 0.66 C ATOM 1207 C ASP A 296 -7.960 3.692 -3.443 1.00 0.86 C ATOM 1208 O ASP A 296 -7.054 3.959 -4.240 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.155 4.455 -1.350 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.977 3.290 -0.825 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -9.808 2.931 0.362 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -10.778 2.724 -1.604 1.00 1.97 O ATOM 0 H ASP A 296 -6.165 4.736 -0.899 1.00 0.55 H new ATOM 0 HA ASP A 296 -7.517 3.070 -1.460 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -8.969 5.161 -0.540 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -9.726 4.986 -2.112 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.062 3.069 -3.803 1.00 0.62 N ATOM 1218 CA GLN A 297 -9.318 2.690 -5.193 1.00 0.87 C ATOM 1219 C GLN A 297 -9.315 3.895 -6.129 1.00 1.60 C ATOM 1220 O GLN A 297 -10.146 4.799 -5.952 1.00 2.38 O ATOM 1221 CB GLN A 297 -10.630 1.907 -5.321 1.00 1.01 C ATOM 1222 CG GLN A 297 -11.827 2.548 -4.636 1.00 2.20 C ATOM 1223 CD GLN A 297 -12.886 3.060 -5.599 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -14.079 3.009 -5.307 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -12.464 3.597 -6.729 1.00 3.77 N ATOM 1226 OXT GLN A 297 -8.494 3.912 -7.072 1.00 2.17 O ATOM 0 H GLN A 297 -9.805 2.809 -3.154 1.00 0.62 H new ATOM 0 HA GLN A 297 -8.498 2.040 -5.499 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -10.860 1.781 -6.379 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -10.483 0.910 -4.906 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -12.282 1.820 -3.965 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -11.480 3.377 -4.019 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -11.466 3.623 -6.940 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -13.136 3.986 -7.391 1.00 3.77 H new