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= -1.13 USER MOD Set 1.2: A 291 HIS : no HE2:sc= -1.73 K(o=-2.9,f=-5.3!) USER MOD Set 2.1: A 280 CYS SG : rot 119:sc= 1.06 USER MOD Set 2.2: A 281 ASN : amide:sc= 0.0285 X(o=2.6,f=2.1) USER MOD Set 2.3: A 283 LYS NZ :NH3+ 162:sc= 1.54 (180deg=-0.765) USER MOD Set 3.1: A 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 273 SER OG : rot 180:sc= -0.0891 USER MOD Set 4.1: A 266 LYS NZ :NH3+ -131:sc= 0.175 (180deg=-4.42!) USER MOD Set 4.2: A 268 THR OG1 : rot -25:sc= 0.13 USER MOD Single : A 228 ASN : amide:sc= -0.0331 X(o=-0.033,f=-0.48) USER MOD Single : A 229 THR OG1 : rot 180:sc= -0.0122 USER MOD Single : A 233 ASN : amide:sc= -2.48! C(o=-2.5!,f=-6.5!) USER MOD Single : A 235 GLN : amide:sc= -0.0129 K(o=-0.013,f=-0.99) USER MOD Single : A 236 ASN : amide:sc= -0.0867 X(o=-0.087,f=0) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= -0.567 K(o=-0.57,f=0) USER MOD Single : A 246 LYS NZ :NH3+ -108:sc= -1.82 (180deg=-5.36!) USER MOD Single : A 250 ASN : amide:sc= -1.73 X(o=-1.7,f=-2.1) 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= -3.26! USER MOD Single : A 269 LYS NZ :NH3+ -117:sc= 1.28 (180deg=-0.362) USER MOD Single : A 271 ASN : amide:sc= -2.88! C(o=-2.9!,f=-10!) USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 286 HIS : no HE2:sc= -0.822 X(o=-0.82,f=-0.72) USER MOD Single : A 297 GLN : amide:sc= -0.651 K(o=-0.65,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 227 -10.813 -0.354 2.792 1.00 1.37 N ATOM 98 CA ILE A 227 -10.244 -1.620 3.216 1.00 1.12 C ATOM 99 C ILE A 227 -9.884 -1.610 4.702 1.00 1.27 C ATOM 100 O ILE A 227 -8.849 -1.083 5.118 1.00 1.47 O ATOM 101 CB ILE A 227 -9.016 -2.014 2.350 1.00 0.97 C ATOM 102 CG1 ILE A 227 -9.477 -2.532 0.978 1.00 1.20 C ATOM 103 CG2 ILE A 227 -8.157 -3.063 3.041 1.00 1.14 C ATOM 104 CD1 ILE A 227 -10.050 -1.467 0.071 1.00 1.47 C ATOM 0 HA ILE A 227 -11.013 -2.378 3.068 1.00 1.12 H new ATOM 0 HB ILE A 227 -8.408 -1.120 2.212 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -8.631 -3.002 0.477 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -10.229 -3.307 1.129 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -7.308 -3.314 2.406 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -7.796 -2.669 3.991 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -8.752 -3.958 3.222 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -10.350 -1.918 -0.875 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -10.918 -1.012 0.548 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -9.295 -0.703 -0.114 1.00 1.47 H new ATOM 116 N ASN A 228 -10.793 -2.152 5.491 1.00 1.52 N ATOM 117 CA ASN A 228 -10.556 -2.413 6.896 1.00 1.82 C ATOM 118 C ASN A 228 -11.147 -3.768 7.245 1.00 1.80 C ATOM 119 O ASN A 228 -12.370 -3.910 7.265 1.00 2.07 O ATOM 120 CB ASN A 228 -11.191 -1.319 7.769 1.00 2.42 C ATOM 121 CG ASN A 228 -11.170 -1.663 9.249 1.00 3.09 C ATOM 122 OD1 ASN A 228 -10.263 -2.340 9.733 1.00 3.44 O ATOM 123 ND2 ASN A 228 -12.178 -1.210 9.979 1.00 3.83 N ATOM 0 H ASN A 228 -11.722 -2.425 5.171 1.00 1.52 H new ATOM 0 HA ASN A 228 -9.483 -2.413 7.087 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -10.660 -0.380 7.611 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -12.222 -1.160 7.452 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -12.220 -1.419 10.976 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -12.912 -0.652 9.544 1.00 3.83 H new ATOM 130 N THR A 229 -10.259 -4.746 7.488 1.00 1.66 N ATOM 131 CA THR A 229 -10.616 -6.140 7.831 1.00 1.67 C ATOM 132 C THR A 229 -10.390 -7.132 6.664 1.00 1.68 C ATOM 133 O THR A 229 -9.617 -8.079 6.826 1.00 2.22 O ATOM 134 CB THR A 229 -12.050 -6.297 8.394 1.00 1.80 C ATOM 135 OG1 THR A 229 -12.218 -5.458 9.546 1.00 1.91 O ATOM 136 CG2 THR A 229 -12.337 -7.743 8.772 1.00 1.88 C ATOM 0 H THR A 229 -9.252 -4.591 7.452 1.00 1.66 H new ATOM 0 HA THR A 229 -9.923 -6.398 8.632 1.00 1.67 H new ATOM 0 HB THR A 229 -12.752 -5.998 7.616 1.00 1.80 H new ATOM 0 HG1 THR A 229 -13.128 -5.561 9.896 1.00 1.91 H new ATOM 0 HG21 THR A 229 -13.351 -7.822 9.164 1.00 1.88 H new ATOM 0 HG22 THR A 229 -12.239 -8.376 7.890 1.00 1.88 H new ATOM 0 HG23 THR A 229 -11.627 -8.068 9.533 1.00 1.88 H new ATOM 144 N PRO A 230 -11.054 -6.966 5.487 1.00 1.34 N ATOM 145 CA PRO A 230 -10.922 -7.899 4.354 1.00 1.46 C ATOM 146 C PRO A 230 -9.477 -8.215 3.976 1.00 1.44 C ATOM 147 O PRO A 230 -8.621 -7.329 3.926 1.00 1.32 O ATOM 148 CB PRO A 230 -11.609 -7.179 3.185 1.00 1.46 C ATOM 149 CG PRO A 230 -11.877 -5.794 3.665 1.00 1.48 C ATOM 150 CD PRO A 230 -11.995 -5.890 5.153 1.00 1.35 C ATOM 0 HA PRO A 230 -11.362 -8.862 4.612 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -10.971 -7.170 2.301 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -12.534 -7.682 2.905 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -11.070 -5.119 3.380 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -12.793 -5.399 3.225 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -11.727 -4.953 5.641 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -13.012 -6.132 5.463 1.00 1.35 H new ATOM 158 N LEU A 231 -9.224 -9.489 3.716 1.00 1.78 N ATOM 159 CA LEU A 231 -7.932 -9.943 3.228 1.00 1.82 C ATOM 160 C LEU A 231 -7.902 -9.799 1.703 1.00 1.52 C ATOM 161 O LEU A 231 -8.938 -9.503 1.108 1.00 1.52 O ATOM 162 CB LEU A 231 -7.703 -11.393 3.667 1.00 2.34 C ATOM 163 CG LEU A 231 -7.658 -11.601 5.184 1.00 2.79 C ATOM 164 CD1 LEU A 231 -7.489 -13.073 5.515 1.00 3.30 C ATOM 165 CD2 LEU A 231 -6.536 -10.779 5.801 1.00 3.42 C ATOM 0 H LEU A 231 -9.908 -10.236 3.837 1.00 1.78 H new ATOM 0 HA LEU A 231 -7.127 -9.339 3.646 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -8.497 -12.014 3.252 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -6.765 -11.745 3.237 1.00 2.34 H new ATOM 0 HG LEU A 231 -8.604 -11.262 5.607 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -7.459 -13.202 6.597 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -8.327 -13.637 5.106 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -6.559 -13.439 5.080 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -6.518 -10.939 6.879 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -5.582 -11.087 5.373 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -6.703 -9.722 5.593 1.00 3.42 H new ATOM 177 N PRO A 232 -6.742 -10.019 1.041 1.00 1.40 N ATOM 178 CA PRO A 232 -6.577 -9.696 -0.384 1.00 1.28 C ATOM 179 C PRO A 232 -7.656 -10.295 -1.280 1.00 1.55 C ATOM 180 O PRO A 232 -7.910 -11.505 -1.261 1.00 1.84 O ATOM 181 CB PRO A 232 -5.213 -10.296 -0.729 1.00 1.40 C ATOM 182 CG PRO A 232 -4.474 -10.302 0.560 1.00 1.45 C ATOM 183 CD PRO A 232 -5.502 -10.575 1.619 1.00 1.54 C ATOM 0 HA PRO A 232 -6.654 -8.622 -0.551 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -5.313 -11.303 -1.134 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -4.696 -9.700 -1.481 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -3.698 -11.067 0.562 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -3.980 -9.346 0.732 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -5.596 -11.642 1.823 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -5.246 -10.092 2.562 1.00 1.54 H new ATOM 191 N ASN A 233 -8.266 -9.420 -2.072 1.00 1.58 N ATOM 192 CA ASN A 233 -9.316 -9.787 -3.015 1.00 2.01 C ATOM 193 C ASN A 233 -9.748 -8.557 -3.810 1.00 1.76 C ATOM 194 O ASN A 233 -10.167 -8.676 -4.963 1.00 2.31 O ATOM 195 CB ASN A 233 -10.543 -10.402 -2.312 1.00 2.67 C ATOM 196 CG ASN A 233 -11.373 -9.396 -1.527 1.00 3.38 C ATOM 197 OD1 ASN A 233 -10.852 -8.448 -0.941 1.00 3.96 O ATOM 198 ND2 ASN A 233 -12.681 -9.593 -1.525 1.00 3.82 N ATOM 0 H ASN A 233 -8.043 -8.425 -2.077 1.00 1.58 H new ATOM 0 HA ASN A 233 -8.904 -10.543 -3.683 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -11.178 -10.877 -3.060 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -10.206 -11.187 -1.635 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -13.293 -8.947 -1.026 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -13.077 -10.390 -2.022 1.00 3.82 H new ATOM 205 N LEU A 234 -9.645 -7.384 -3.165 1.00 1.61 N ATOM 206 CA LEU A 234 -10.037 -6.107 -3.733 1.00 1.90 C ATOM 207 C LEU A 234 -11.516 -5.943 -3.562 1.00 1.69 C ATOM 208 O LEU A 234 -12.320 -6.695 -4.113 1.00 1.91 O ATOM 209 CB LEU A 234 -9.660 -5.913 -5.197 1.00 2.77 C ATOM 210 CG LEU A 234 -8.179 -6.074 -5.526 1.00 3.77 C ATOM 211 CD1 LEU A 234 -7.949 -5.785 -6.995 1.00 4.30 C ATOM 212 CD2 LEU A 234 -7.332 -5.155 -4.658 1.00 4.49 C ATOM 0 H LEU A 234 -9.278 -7.307 -2.216 1.00 1.61 H new ATOM 0 HA LEU A 234 -9.478 -5.343 -3.192 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -10.226 -6.626 -5.796 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -9.975 -4.916 -5.505 1.00 2.77 H new ATOM 0 HG LEU A 234 -7.880 -7.101 -5.316 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -6.890 -5.901 -7.227 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -8.531 -6.482 -7.598 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -8.260 -4.764 -7.218 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -6.279 -5.286 -4.909 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -7.621 -4.119 -4.835 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -7.488 -5.401 -3.608 1.00 4.49 H new ATOM 224 N GLN A 235 -11.860 -4.940 -2.808 1.00 1.58 N ATOM 225 CA GLN A 235 -13.201 -4.754 -2.360 1.00 1.78 C ATOM 226 C GLN A 235 -13.998 -4.063 -3.459 1.00 1.59 C ATOM 227 O GLN A 235 -15.193 -4.299 -3.623 1.00 1.97 O ATOM 228 CB GLN A 235 -13.097 -3.964 -1.070 1.00 2.17 C ATOM 229 CG GLN A 235 -14.379 -3.312 -0.585 1.00 2.56 C ATOM 230 CD GLN A 235 -15.385 -4.323 -0.064 1.00 3.18 C ATOM 231 OE1 GLN A 235 -15.014 -5.384 0.438 1.00 3.71 O ATOM 232 NE2 GLN A 235 -16.662 -4.002 -0.178 1.00 3.72 N ATOM 0 H GLN A 235 -11.209 -4.224 -2.486 1.00 1.58 H new ATOM 0 HA GLN A 235 -13.735 -5.682 -2.157 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -12.733 -4.630 -0.288 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -12.345 -3.186 -1.203 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -14.144 -2.599 0.205 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -14.827 -2.747 -1.402 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -16.929 -3.113 -0.600 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -17.381 -4.644 0.156 1.00 3.72 H new ATOM 241 N ASN A 236 -13.310 -3.213 -4.218 1.00 1.40 N ATOM 242 CA ASN A 236 -13.844 -2.693 -5.475 1.00 1.65 C ATOM 243 C ASN A 236 -12.741 -2.673 -6.528 1.00 1.69 C ATOM 244 O ASN A 236 -12.988 -2.434 -7.706 1.00 2.36 O ATOM 245 CB ASN A 236 -14.396 -1.272 -5.310 1.00 2.09 C ATOM 246 CG ASN A 236 -15.361 -0.896 -6.427 1.00 2.95 C ATOM 247 OD1 ASN A 236 -16.562 -1.151 -6.333 1.00 3.67 O ATOM 248 ND2 ASN A 236 -14.850 -0.274 -7.480 1.00 3.34 N ATOM 0 H ASN A 236 -12.379 -2.869 -3.984 1.00 1.40 H new ATOM 0 HA ASN A 236 -14.659 -3.346 -5.785 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -14.905 -1.191 -4.350 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -13.569 -0.562 -5.293 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -15.457 0.011 -8.248 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -13.849 -0.080 -7.522 1.00 3.34 H new ATOM 255 N GLY A 237 -11.525 -2.964 -6.092 1.00 1.32 N ATOM 256 CA GLY A 237 -10.370 -2.660 -6.841 1.00 1.67 C ATOM 257 C GLY A 237 -9.291 -2.272 -5.874 1.00 1.38 C ATOM 258 O GLY A 237 -9.532 -2.219 -4.663 1.00 1.70 O ATOM 0 H GLY A 237 -11.337 -3.421 -5.200 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -10.061 -3.521 -7.434 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -10.569 -1.847 -7.539 1.00 1.67 H new ATOM 262 N PRO A 238 -8.107 -2.030 -6.367 1.00 0.90 N ATOM 263 CA PRO A 238 -6.940 -1.711 -5.567 1.00 0.65 C ATOM 264 C PRO A 238 -6.863 -0.248 -5.236 1.00 0.50 C ATOM 265 O PRO A 238 -7.543 0.582 -5.842 1.00 0.76 O ATOM 266 CB PRO A 238 -5.778 -2.114 -6.490 1.00 0.65 C ATOM 267 CG PRO A 238 -6.458 -2.784 -7.639 1.00 0.96 C ATOM 268 CD PRO A 238 -7.761 -2.078 -7.760 1.00 0.88 C ATOM 0 HA PRO A 238 -6.942 -2.220 -4.603 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.204 -1.246 -6.815 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.082 -2.787 -5.988 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -5.872 -2.696 -8.554 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -6.599 -3.849 -7.452 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -7.666 -1.088 -8.207 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.487 -2.629 -8.358 1.00 0.88 H new ATOM 276 N PHE A 239 -6.040 0.065 -4.273 1.00 0.37 N ATOM 277 CA PHE A 239 -5.821 1.439 -3.917 1.00 0.28 C ATOM 278 C PHE A 239 -4.382 1.803 -4.151 1.00 0.27 C ATOM 279 O PHE A 239 -3.592 0.998 -4.630 1.00 0.51 O ATOM 280 CB PHE A 239 -6.231 1.721 -2.462 1.00 0.34 C ATOM 281 CG PHE A 239 -5.909 0.624 -1.506 1.00 0.41 C ATOM 282 CD1 PHE A 239 -4.608 0.246 -1.227 1.00 0.35 C ATOM 283 CD2 PHE A 239 -6.935 -0.020 -0.870 1.00 0.90 C ATOM 284 CE1 PHE A 239 -4.352 -0.763 -0.324 1.00 0.35 C ATOM 285 CE2 PHE A 239 -6.688 -1.029 0.031 1.00 1.09 C ATOM 286 CZ PHE A 239 -5.392 -1.401 0.303 1.00 0.73 C ATOM 0 H PHE A 239 -5.511 -0.611 -3.722 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.452 2.061 -4.552 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.736 2.633 -2.129 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.304 1.910 -2.430 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -3.787 0.745 -1.720 1.00 0.35 H new ATOM 0 HD2 PHE A 239 -7.955 0.269 -1.079 1.00 0.90 H new ATOM 0 HE1 PHE A 239 -3.333 -1.051 -0.110 1.00 0.35 H new ATOM 0 HE2 PHE A 239 -7.509 -1.528 0.524 1.00 1.09 H new ATOM 0 HZ PHE A 239 -5.194 -2.194 1.009 1.00 0.73 H new ATOM 296 N TYR A 240 -4.059 3.019 -3.820 1.00 0.16 N ATOM 297 CA TYR A 240 -2.706 3.493 -3.895 1.00 0.21 C ATOM 298 C TYR A 240 -2.337 3.932 -2.505 1.00 0.21 C ATOM 299 O TYR A 240 -3.215 4.123 -1.687 1.00 0.36 O ATOM 300 CB TYR A 240 -2.579 4.667 -4.866 1.00 0.25 C ATOM 301 CG TYR A 240 -3.295 4.473 -6.184 1.00 0.25 C ATOM 302 CD1 TYR A 240 -2.882 3.509 -7.097 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.378 5.274 -6.522 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.532 3.349 -8.308 1.00 0.38 C ATOM 305 CE2 TYR A 240 -5.033 5.118 -7.725 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.608 4.156 -8.615 1.00 0.45 C ATOM 307 OH TYR A 240 -5.262 4.007 -9.820 1.00 0.59 O ATOM 0 H TYR A 240 -4.729 3.714 -3.489 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.045 2.708 -4.262 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -2.968 5.564 -4.384 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.522 4.845 -5.064 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.041 2.875 -6.857 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -4.713 6.033 -5.830 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -3.199 2.597 -9.008 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.876 5.747 -7.969 1.00 0.46 H new ATOM 0 HH TYR A 240 -5.997 4.653 -9.876 1.00 0.59 H new ATOM 317 N ALA A 241 -1.077 4.035 -2.202 1.00 0.17 N ATOM 318 CA ALA A 241 -0.688 4.618 -0.945 1.00 0.19 C ATOM 319 C ALA A 241 0.509 5.520 -1.147 1.00 0.15 C ATOM 320 O ALA A 241 1.554 5.085 -1.637 1.00 0.19 O ATOM 321 CB ALA A 241 -0.402 3.554 0.098 1.00 0.35 C ATOM 0 H ALA A 241 -0.307 3.728 -2.797 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.519 5.215 -0.571 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.111 4.031 1.034 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.297 2.953 0.260 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.408 2.913 -0.249 1.00 0.35 H new ATOM 327 N ARG A 242 0.342 6.777 -0.791 1.00 0.16 N ATOM 328 CA ARG A 242 1.407 7.742 -0.884 1.00 0.16 C ATOM 329 C ARG A 242 2.355 7.541 0.271 1.00 0.14 C ATOM 330 O ARG A 242 2.035 7.835 1.420 1.00 0.23 O ATOM 331 CB ARG A 242 0.862 9.173 -0.848 1.00 0.29 C ATOM 332 CG ARG A 242 1.953 10.236 -0.873 1.00 0.33 C ATOM 333 CD ARG A 242 2.411 10.531 -2.288 1.00 0.79 C ATOM 334 NE ARG A 242 1.318 11.013 -3.128 1.00 1.19 N ATOM 335 CZ ARG A 242 1.465 11.408 -4.391 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.664 11.394 -4.961 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.408 11.828 -5.075 1.00 2.05 N ATOM 0 H ARG A 242 -0.535 7.153 -0.431 1.00 0.16 H new ATOM 0 HA ARG A 242 1.925 7.597 -1.832 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.199 9.323 -1.700 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.260 9.302 0.051 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.581 11.151 -0.412 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.802 9.901 -0.277 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.205 11.277 -2.264 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.835 9.628 -2.727 1.00 0.79 H new ATOM 0 HE ARG A 242 0.383 11.049 -2.722 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.477 11.080 -4.431 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.772 11.697 -5.929 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.511 11.847 -4.633 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.515 12.132 -6.043 1.00 2.05 H new ATOM 351 N VAL A 243 3.506 7.010 -0.031 1.00 0.10 N ATOM 352 CA VAL A 243 4.514 6.813 0.968 1.00 0.14 C ATOM 353 C VAL A 243 5.146 8.150 1.326 1.00 0.11 C ATOM 354 O VAL A 243 5.860 8.747 0.522 1.00 0.15 O ATOM 355 CB VAL A 243 5.589 5.818 0.484 1.00 0.20 C ATOM 356 CG1 VAL A 243 6.049 6.136 -0.927 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.759 5.818 1.440 1.00 0.32 C ATOM 0 H VAL A 243 3.769 6.704 -0.968 1.00 0.10 H new ATOM 0 HA VAL A 243 4.046 6.388 1.856 1.00 0.14 H new ATOM 0 HB VAL A 243 5.146 4.822 0.464 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.806 5.414 -1.234 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.199 6.082 -1.608 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.473 7.140 -0.954 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.514 5.113 1.091 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.191 6.818 1.487 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.418 5.523 2.432 1.00 0.32 H new ATOM 367 N ILE A 244 4.862 8.644 2.518 1.00 0.13 N ATOM 368 CA ILE A 244 5.445 9.911 2.916 1.00 0.15 C ATOM 369 C ILE A 244 6.765 9.695 3.632 1.00 0.14 C ATOM 370 O ILE A 244 7.512 10.642 3.830 1.00 0.20 O ATOM 371 CB ILE A 244 4.521 10.794 3.795 1.00 0.25 C ATOM 372 CG1 ILE A 244 4.250 10.156 5.165 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.221 11.086 3.063 1.00 0.32 C ATOM 374 CD1 ILE A 244 3.197 9.074 5.149 1.00 0.76 C ATOM 0 H ILE A 244 4.252 8.204 3.207 1.00 0.13 H new ATOM 0 HA ILE A 244 5.601 10.455 1.985 1.00 0.15 H new ATOM 0 HB ILE A 244 5.039 11.735 3.980 1.00 0.25 H new ATOM 0 HG12 ILE A 244 5.180 9.736 5.547 1.00 0.37 H new ATOM 0 HG13 ILE A 244 3.942 10.936 5.862 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.581 11.706 3.691 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.437 11.612 2.133 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.711 10.149 2.839 1.00 0.32 H new ATOM 0 HD11 ILE A 244 3.068 8.677 6.156 1.00 0.76 H new ATOM 0 HD12 ILE A 244 2.252 9.491 4.799 1.00 0.76 H new ATOM 0 HD13 ILE A 244 3.510 8.272 4.480 1.00 0.76 H new ATOM 386 N GLN A 245 7.036 8.451 4.041 1.00 0.12 N ATOM 387 CA GLN A 245 8.334 8.087 4.621 1.00 0.14 C ATOM 388 C GLN A 245 8.628 6.612 4.433 1.00 0.14 C ATOM 389 O GLN A 245 7.993 5.764 5.051 1.00 0.17 O ATOM 390 CB GLN A 245 8.399 8.422 6.110 1.00 0.21 C ATOM 391 CG GLN A 245 8.383 9.908 6.375 1.00 0.33 C ATOM 392 CD GLN A 245 8.621 10.276 7.830 1.00 0.54 C ATOM 393 OE1 GLN A 245 9.164 11.340 8.126 1.00 1.19 O ATOM 394 NE2 GLN A 245 8.220 9.405 8.745 1.00 1.06 N ATOM 0 H GLN A 245 6.373 7.678 3.981 1.00 0.12 H new ATOM 0 HA GLN A 245 9.086 8.674 4.093 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.555 7.957 6.620 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.305 7.991 6.536 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.146 10.385 5.760 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.421 10.313 6.061 1.00 0.33 H new ATOM 0 HE21 GLN A 245 7.774 8.534 8.459 1.00 1.06 H new ATOM 0 HE22 GLN A 245 8.358 9.606 9.735 1.00 1.06 H new ATOM 403 N LYS A 246 9.544 6.304 3.535 1.00 0.15 N ATOM 404 CA LYS A 246 10.023 4.941 3.380 1.00 0.16 C ATOM 405 C LYS A 246 11.530 4.911 3.233 1.00 0.22 C ATOM 406 O LYS A 246 12.179 5.943 3.046 1.00 0.29 O ATOM 407 CB LYS A 246 9.391 4.242 2.185 1.00 0.18 C ATOM 408 CG LYS A 246 8.827 2.864 2.512 1.00 0.20 C ATOM 409 CD LYS A 246 7.504 2.962 3.264 1.00 0.29 C ATOM 410 CE LYS A 246 6.431 2.093 2.635 1.00 0.28 C ATOM 411 NZ LYS A 246 5.966 2.630 1.330 1.00 0.36 N ATOM 0 H LYS A 246 9.972 6.978 2.901 1.00 0.15 H new ATOM 0 HA LYS A 246 9.731 4.406 4.284 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.591 4.868 1.790 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.137 4.142 1.397 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.681 2.302 1.590 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.547 2.309 3.113 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.653 2.662 4.301 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.170 3.999 3.277 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.820 1.085 2.493 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.584 2.015 3.316 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 5.007 3.018 1.436 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.611 3.382 1.014 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 5.954 1.866 0.625 1.00 0.36 H new ATOM 425 N ARG A 247 12.066 3.715 3.329 1.00 0.27 N ATOM 426 CA ARG A 247 13.449 3.447 3.010 1.00 0.37 C ATOM 427 C ARG A 247 13.462 2.984 1.564 1.00 0.27 C ATOM 428 O ARG A 247 12.405 2.623 1.048 1.00 0.21 O ATOM 429 CB ARG A 247 13.982 2.364 3.961 1.00 0.55 C ATOM 430 CG ARG A 247 15.241 1.659 3.495 1.00 0.69 C ATOM 431 CD ARG A 247 15.565 0.483 4.397 1.00 0.72 C ATOM 432 NE ARG A 247 16.453 -0.484 3.754 1.00 1.24 N ATOM 433 CZ ARG A 247 16.217 -1.798 3.723 1.00 1.29 C ATOM 434 NH1 ARG A 247 15.092 -2.284 4.241 1.00 1.33 N ATOM 435 NH2 ARG A 247 17.090 -2.625 3.156 1.00 2.10 N ATOM 0 H ARG A 247 11.547 2.892 3.634 1.00 0.27 H new ATOM 0 HA ARG A 247 14.088 4.322 3.130 1.00 0.37 H new ATOM 0 HB2 ARG A 247 14.178 2.820 4.932 1.00 0.55 H new ATOM 0 HB3 ARG A 247 13.201 1.618 4.111 1.00 0.55 H new ATOM 0 HG2 ARG A 247 15.111 1.312 2.470 1.00 0.69 H new ATOM 0 HG3 ARG A 247 16.075 2.360 3.490 1.00 0.69 H new ATOM 0 HD2 ARG A 247 16.031 0.848 5.312 1.00 0.72 H new ATOM 0 HD3 ARG A 247 14.640 -0.015 4.687 1.00 0.72 H new ATOM 0 HE ARG A 247 17.300 -0.136 3.304 1.00 1.24 H new ATOM 0 HH11 ARG A 247 14.410 -1.653 4.662 1.00 1.33 H new ATOM 0 HH12 ARG A 247 14.912 -3.288 4.217 1.00 1.33 H new ATOM 0 HH21 ARG A 247 17.946 -2.257 2.741 1.00 2.10 H new ATOM 0 HH22 ARG A 247 16.904 -3.628 3.136 1.00 2.10 H new ATOM 449 N VAL A 248 14.600 3.018 0.890 1.00 0.32 N ATOM 450 CA VAL A 248 14.649 2.510 -0.466 1.00 0.31 C ATOM 451 C VAL A 248 15.310 1.119 -0.488 1.00 0.26 C ATOM 452 O VAL A 248 16.529 0.973 -0.574 1.00 0.30 O ATOM 453 CB VAL A 248 15.352 3.522 -1.414 1.00 0.45 C ATOM 454 CG1 VAL A 248 16.815 3.746 -1.046 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.203 3.104 -2.869 1.00 1.18 C ATOM 0 H VAL A 248 15.481 3.383 1.251 1.00 0.32 H new ATOM 0 HA VAL A 248 13.632 2.392 -0.840 1.00 0.31 H new ATOM 0 HB VAL A 248 14.849 4.480 -1.284 1.00 0.45 H new ATOM 0 HG11 VAL A 248 17.259 4.461 -1.739 1.00 1.12 H new ATOM 0 HG12 VAL A 248 16.879 4.137 -0.031 1.00 1.12 H new ATOM 0 HG13 VAL A 248 17.354 2.800 -1.105 1.00 1.12 H new ATOM 0 HG21 VAL A 248 15.704 3.830 -3.509 1.00 1.18 H new ATOM 0 HG22 VAL A 248 15.653 2.122 -3.013 1.00 1.18 H new ATOM 0 HG23 VAL A 248 14.145 3.061 -3.129 1.00 1.18 H new ATOM 465 N PRO A 249 14.484 0.075 -0.336 1.00 0.20 N ATOM 466 CA PRO A 249 14.889 -1.315 -0.326 1.00 0.20 C ATOM 467 C PRO A 249 14.588 -2.015 -1.633 1.00 0.27 C ATOM 468 O PRO A 249 13.928 -1.464 -2.498 1.00 0.34 O ATOM 469 CB PRO A 249 14.019 -1.884 0.802 1.00 0.21 C ATOM 470 CG PRO A 249 12.862 -0.922 0.947 1.00 0.23 C ATOM 471 CD PRO A 249 13.054 0.145 -0.099 1.00 0.22 C ATOM 0 HA PRO A 249 15.962 -1.445 -0.187 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.667 -2.886 0.558 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.583 -1.961 1.731 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.911 -1.436 0.806 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.844 -0.486 1.946 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.479 -0.060 -1.002 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.746 1.128 0.258 1.00 0.22 H new ATOM 479 N ASN A 250 15.080 -3.226 -1.791 1.00 0.31 N ATOM 480 CA ASN A 250 14.767 -3.972 -2.987 1.00 0.39 C ATOM 481 C ASN A 250 13.857 -5.142 -2.686 1.00 0.36 C ATOM 482 O ASN A 250 13.628 -5.499 -1.533 1.00 0.35 O ATOM 483 CB ASN A 250 16.020 -4.443 -3.741 1.00 0.51 C ATOM 484 CG ASN A 250 16.692 -5.703 -3.198 1.00 1.13 C ATOM 485 OD1 ASN A 250 17.201 -6.508 -3.974 1.00 1.97 O ATOM 486 ND2 ASN A 250 16.734 -5.888 -1.887 1.00 1.56 N ATOM 0 H ASN A 250 15.684 -3.704 -1.123 1.00 0.31 H new ATOM 0 HA ASN A 250 14.239 -3.281 -3.645 1.00 0.39 H new ATOM 0 HB2 ASN A 250 15.749 -4.619 -4.782 1.00 0.51 H new ATOM 0 HB3 ASN A 250 16.750 -3.634 -3.734 1.00 0.51 H new ATOM 0 HD21 ASN A 250 17.196 -6.712 -1.503 1.00 1.56 H new ATOM 0 HD22 ASN A 250 16.304 -5.206 -1.262 1.00 1.56 H new ATOM 493 N ALA A 251 13.377 -5.736 -3.752 1.00 0.43 N ATOM 494 CA ALA A 251 12.446 -6.858 -3.702 1.00 0.48 C ATOM 495 C ALA A 251 13.047 -8.085 -3.016 1.00 0.53 C ATOM 496 O ALA A 251 12.361 -9.080 -2.798 1.00 0.60 O ATOM 497 CB ALA A 251 11.971 -7.208 -5.104 1.00 0.59 C ATOM 0 H ALA A 251 13.622 -5.454 -4.701 1.00 0.43 H new ATOM 0 HA ALA A 251 11.593 -6.545 -3.100 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.277 -8.047 -5.054 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.468 -6.346 -5.544 1.00 0.59 H new ATOM 0 HB3 ALA A 251 12.827 -7.482 -5.720 1.00 0.59 H new ATOM 503 N TYR A 252 14.333 -8.028 -2.702 1.00 0.54 N ATOM 504 CA TYR A 252 15.006 -9.160 -2.106 1.00 0.65 C ATOM 505 C TYR A 252 14.975 -9.002 -0.599 1.00 0.60 C ATOM 506 O TYR A 252 15.198 -9.955 0.146 1.00 0.69 O ATOM 507 CB TYR A 252 16.444 -9.284 -2.616 1.00 0.77 C ATOM 508 CG TYR A 252 17.110 -10.583 -2.223 1.00 1.63 C ATOM 509 CD1 TYR A 252 16.603 -11.797 -2.663 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.234 -10.597 -1.405 1.00 2.46 C ATOM 511 CE1 TYR A 252 17.197 -12.991 -2.304 1.00 2.83 C ATOM 512 CE2 TYR A 252 18.833 -11.788 -1.041 1.00 3.46 C ATOM 513 CZ TYR A 252 18.311 -12.981 -1.493 1.00 3.61 C ATOM 514 OH TYR A 252 18.906 -14.170 -1.136 1.00 4.61 O ATOM 0 H TYR A 252 14.925 -7.211 -2.851 1.00 0.54 H new ATOM 0 HA TYR A 252 14.490 -10.077 -2.389 1.00 0.65 H new ATOM 0 HB2 TYR A 252 16.445 -9.198 -3.703 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.032 -8.451 -2.230 1.00 0.77 H new ATOM 0 HD1 TYR A 252 15.729 -11.809 -3.297 1.00 1.89 H new ATOM 0 HD2 TYR A 252 18.645 -9.664 -1.049 1.00 2.46 H new ATOM 0 HE1 TYR A 252 16.791 -13.927 -2.657 1.00 2.83 H new ATOM 0 HE2 TYR A 252 19.706 -11.784 -0.405 1.00 3.46 H new ATOM 0 HH TYR A 252 19.680 -13.989 -0.563 1.00 4.61 H new ATOM 524 N ASP A 253 14.692 -7.780 -0.167 1.00 0.50 N ATOM 525 CA ASP A 253 14.438 -7.475 1.208 1.00 0.51 C ATOM 526 C ASP A 253 13.074 -8.005 1.575 1.00 0.48 C ATOM 527 O ASP A 253 12.100 -7.256 1.583 1.00 0.43 O ATOM 528 CB ASP A 253 14.419 -5.975 1.362 1.00 0.49 C ATOM 529 CG ASP A 253 15.783 -5.326 1.471 1.00 0.79 C ATOM 530 OD1 ASP A 253 16.382 -5.373 2.568 1.00 0.85 O ATOM 531 OD2 ASP A 253 16.277 -4.795 0.452 1.00 1.32 O ATOM 0 H ASP A 253 14.635 -6.970 -0.784 1.00 0.50 H new ATOM 0 HA ASP A 253 15.203 -7.920 1.845 1.00 0.51 H new ATOM 0 HB2 ASP A 253 13.895 -5.544 0.509 1.00 0.49 H new ATOM 0 HB3 ASP A 253 13.841 -5.723 2.251 1.00 0.49 H new ATOM 536 N LYS A 254 13.010 -9.279 1.912 1.00 0.55 N ATOM 537 CA LYS A 254 11.762 -10.007 1.872 1.00 0.55 C ATOM 538 C LYS A 254 11.204 -9.859 0.463 1.00 0.49 C ATOM 539 O LYS A 254 11.494 -10.677 -0.407 1.00 0.54 O ATOM 540 CB LYS A 254 10.767 -9.514 2.933 1.00 0.57 C ATOM 541 CG LYS A 254 11.345 -9.401 4.335 1.00 0.73 C ATOM 542 CD LYS A 254 11.942 -10.706 4.827 1.00 1.32 C ATOM 543 CE LYS A 254 13.452 -10.712 4.658 1.00 1.62 C ATOM 544 NZ LYS A 254 14.064 -11.974 5.146 1.00 2.40 N ATOM 0 H LYS A 254 13.812 -9.830 2.217 1.00 0.55 H new ATOM 0 HA LYS A 254 11.934 -11.057 2.108 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.387 -8.538 2.631 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.916 -10.194 2.958 1.00 0.57 H new ATOM 0 HG2 LYS A 254 12.113 -8.627 4.346 1.00 0.73 H new ATOM 0 HG3 LYS A 254 10.561 -9.082 5.022 1.00 0.73 H new ATOM 0 HD2 LYS A 254 11.689 -10.852 5.877 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.507 -11.540 4.275 1.00 1.32 H new ATOM 0 HE2 LYS A 254 13.699 -10.573 3.605 1.00 1.62 H new ATOM 0 HE3 LYS A 254 13.880 -9.869 5.200 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 15.095 -11.935 5.012 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 13.851 -12.095 6.157 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 13.676 -12.777 4.612 1.00 2.40 H new ATOM 558 N THR A 255 10.419 -8.813 0.243 1.00 0.42 N ATOM 559 CA THR A 255 9.989 -8.439 -1.098 1.00 0.39 C ATOM 560 C THR A 255 10.022 -6.920 -1.312 1.00 0.31 C ATOM 561 O THR A 255 9.681 -6.450 -2.382 1.00 0.32 O ATOM 562 CB THR A 255 8.586 -8.993 -1.389 1.00 0.47 C ATOM 563 OG1 THR A 255 7.709 -8.707 -0.289 1.00 0.49 O ATOM 564 CG2 THR A 255 8.648 -10.492 -1.613 1.00 0.60 C ATOM 0 H THR A 255 10.065 -8.205 0.981 1.00 0.42 H new ATOM 0 HA THR A 255 10.697 -8.881 -1.799 1.00 0.39 H new ATOM 0 HB THR A 255 8.203 -8.515 -2.291 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.816 -9.061 -0.482 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.647 -10.871 -1.818 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.298 -10.707 -2.461 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.044 -10.977 -0.721 1.00 0.60 H new ATOM 572 N ALA A 256 10.543 -6.210 -0.310 1.00 0.26 N ATOM 573 CA ALA A 256 10.328 -4.762 -0.066 1.00 0.21 C ATOM 574 C ALA A 256 10.108 -3.837 -1.278 1.00 0.17 C ATOM 575 O ALA A 256 10.802 -3.904 -2.293 1.00 0.21 O ATOM 576 CB ALA A 256 11.470 -4.219 0.771 1.00 0.23 C ATOM 0 H ALA A 256 11.153 -6.635 0.388 1.00 0.26 H new ATOM 0 HA ALA A 256 9.365 -4.740 0.443 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.315 -3.155 0.952 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.506 -4.748 1.724 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.411 -4.363 0.240 1.00 0.23 H new ATOM 582 N LEU A 257 9.124 -2.931 -1.099 1.00 0.14 N ATOM 583 CA LEU A 257 8.837 -1.828 -2.030 1.00 0.14 C ATOM 584 C LEU A 257 9.966 -0.813 -2.030 1.00 0.13 C ATOM 585 O LEU A 257 10.286 -0.247 -0.990 1.00 0.15 O ATOM 586 CB LEU A 257 7.557 -1.067 -1.620 1.00 0.15 C ATOM 587 CG LEU A 257 6.215 -1.699 -1.962 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.201 -2.202 -3.394 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.876 -2.792 -0.976 1.00 0.21 C ATOM 0 H LEU A 257 8.500 -2.948 -0.292 1.00 0.14 H new ATOM 0 HA LEU A 257 8.716 -2.279 -3.015 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.590 -0.914 -0.541 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.591 -0.081 -2.083 1.00 0.15 H new ATOM 0 HG LEU A 257 5.441 -0.935 -1.883 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.231 -2.649 -3.613 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.379 -1.369 -4.074 1.00 0.21 H new ATOM 0 HD13 LEU A 257 6.983 -2.950 -3.525 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.913 -3.232 -1.237 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.647 -3.562 -1.007 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.823 -2.372 0.028 1.00 0.21 H new ATOM 601 N ALA A 258 10.531 -0.550 -3.194 1.00 0.14 N ATOM 602 CA ALA A 258 11.571 0.459 -3.321 1.00 0.16 C ATOM 603 C ALA A 258 10.985 1.837 -3.590 1.00 0.17 C ATOM 604 O ALA A 258 10.692 2.175 -4.732 1.00 0.24 O ATOM 605 CB ALA A 258 12.504 0.057 -4.436 1.00 0.22 C ATOM 0 H ALA A 258 10.288 -1.020 -4.066 1.00 0.14 H new ATOM 0 HA ALA A 258 12.118 0.521 -2.380 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.289 0.806 -4.541 1.00 0.22 H new ATOM 0 HB2 ALA A 258 12.953 -0.909 -4.204 1.00 0.22 H new ATOM 0 HB3 ALA A 258 11.945 -0.017 -5.369 1.00 0.22 H new ATOM 611 N LEU A 259 10.831 2.644 -2.550 1.00 0.13 N ATOM 612 CA LEU A 259 10.190 3.942 -2.706 1.00 0.15 C ATOM 613 C LEU A 259 10.641 4.903 -1.622 1.00 0.15 C ATOM 614 O LEU A 259 11.213 4.496 -0.616 1.00 0.18 O ATOM 615 CB LEU A 259 8.652 3.813 -2.726 1.00 0.20 C ATOM 616 CG LEU A 259 8.063 2.536 -2.119 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.486 2.368 -0.675 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.551 2.568 -2.214 1.00 0.55 C ATOM 0 H LEU A 259 11.136 2.427 -1.601 1.00 0.13 H new ATOM 0 HA LEU A 259 10.498 4.349 -3.669 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.232 4.668 -2.196 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.318 3.884 -3.761 1.00 0.20 H new ATOM 0 HG LEU A 259 8.445 1.686 -2.684 1.00 0.19 H new ATOM 0 HD11 LEU A 259 8.052 1.453 -0.273 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.573 2.309 -0.619 1.00 0.66 H new ATOM 0 HD13 LEU A 259 8.138 3.221 -0.092 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.140 1.656 -1.780 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.170 3.432 -1.670 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.254 2.638 -3.260 1.00 0.55 H new ATOM 630 N GLU A 260 10.364 6.177 -1.832 1.00 0.18 N ATOM 631 CA GLU A 260 10.853 7.221 -0.974 1.00 0.24 C ATOM 632 C GLU A 260 9.698 8.147 -0.626 1.00 0.20 C ATOM 633 O GLU A 260 8.544 7.863 -0.935 1.00 0.21 O ATOM 634 CB GLU A 260 11.997 7.977 -1.671 1.00 0.39 C ATOM 635 CG GLU A 260 11.559 9.207 -2.461 1.00 0.52 C ATOM 636 CD GLU A 260 12.563 9.603 -3.522 1.00 0.96 C ATOM 637 OE1 GLU A 260 12.762 8.827 -4.481 1.00 1.74 O ATOM 638 OE2 GLU A 260 13.151 10.697 -3.411 1.00 1.27 O ATOM 0 H GLU A 260 9.791 6.510 -2.607 1.00 0.18 H new ATOM 0 HA GLU A 260 11.253 6.801 -0.051 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.723 8.285 -0.918 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.509 7.292 -2.346 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.597 9.008 -2.932 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.412 10.042 -1.775 1.00 0.52 H new ATOM 645 N VAL A 261 10.008 9.215 0.052 1.00 0.33 N ATOM 646 CA VAL A 261 9.022 10.187 0.458 1.00 0.32 C ATOM 647 C VAL A 261 8.390 10.913 -0.724 1.00 0.22 C ATOM 648 O VAL A 261 9.077 11.546 -1.523 1.00 0.28 O ATOM 649 CB VAL A 261 9.698 11.175 1.387 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.760 12.297 1.770 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.199 10.396 2.571 1.00 0.93 C ATOM 0 H VAL A 261 10.959 9.441 0.343 1.00 0.33 H new ATOM 0 HA VAL A 261 8.207 9.669 0.964 1.00 0.32 H new ATOM 0 HB VAL A 261 10.539 11.666 0.896 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.274 12.989 2.437 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.441 12.827 0.872 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.888 11.885 2.277 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.695 11.072 3.268 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.359 9.912 3.070 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.907 9.638 2.235 1.00 0.93 H new ATOM 661 N GLY A 262 7.073 10.794 -0.835 1.00 0.17 N ATOM 662 CA GLY A 262 6.348 11.531 -1.835 1.00 0.20 C ATOM 663 C GLY A 262 5.916 10.643 -2.972 1.00 0.22 C ATOM 664 O GLY A 262 5.258 11.092 -3.914 1.00 0.31 O ATOM 0 H GLY A 262 6.497 10.195 -0.244 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.472 11.996 -1.382 1.00 0.20 H new ATOM 0 HA3 GLY A 262 6.973 12.337 -2.219 1.00 0.20 H new ATOM 668 N GLU A 263 6.270 9.374 -2.871 1.00 0.16 N ATOM 669 CA GLU A 263 6.035 8.431 -3.940 1.00 0.18 C ATOM 670 C GLU A 263 4.702 7.723 -3.753 1.00 0.15 C ATOM 671 O GLU A 263 4.035 7.899 -2.734 1.00 0.19 O ATOM 672 CB GLU A 263 7.184 7.436 -3.959 1.00 0.23 C ATOM 673 CG GLU A 263 8.533 8.128 -3.910 1.00 0.26 C ATOM 674 CD GLU A 263 8.873 8.825 -5.213 1.00 0.61 C ATOM 675 OE1 GLU A 263 9.423 8.161 -6.119 1.00 1.02 O ATOM 676 OE2 GLU A 263 8.584 10.034 -5.346 1.00 1.04 O ATOM 0 H GLU A 263 6.725 8.974 -2.050 1.00 0.16 H new ATOM 0 HA GLU A 263 5.988 8.956 -4.894 1.00 0.18 H new ATOM 0 HB2 GLU A 263 7.092 6.759 -3.109 1.00 0.23 H new ATOM 0 HB3 GLU A 263 7.121 6.826 -4.860 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.535 8.857 -3.100 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.306 7.395 -3.681 1.00 0.26 H new ATOM 683 N LEU A 264 4.311 6.925 -4.728 1.00 0.14 N ATOM 684 CA LEU A 264 3.032 6.244 -4.673 1.00 0.13 C ATOM 685 C LEU A 264 3.202 4.769 -5.002 1.00 0.15 C ATOM 686 O LEU A 264 4.071 4.397 -5.790 1.00 0.24 O ATOM 687 CB LEU A 264 2.055 6.891 -5.660 1.00 0.15 C ATOM 688 CG LEU A 264 0.577 6.563 -5.440 1.00 0.14 C ATOM 689 CD1 LEU A 264 0.049 7.307 -4.229 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.234 6.909 -6.680 1.00 0.18 C ATOM 0 H LEU A 264 4.860 6.733 -5.566 1.00 0.14 H new ATOM 0 HA LEU A 264 2.632 6.332 -3.663 1.00 0.13 H new ATOM 0 HB2 LEU A 264 2.180 7.973 -5.610 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.330 6.585 -6.669 1.00 0.15 H new ATOM 0 HG LEU A 264 0.480 5.493 -5.256 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.004 7.065 -4.084 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.615 7.012 -3.345 1.00 0.14 H new ATOM 0 HD13 LEU A 264 0.156 8.380 -4.386 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.283 6.670 -6.507 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.135 7.973 -6.894 1.00 0.18 H new ATOM 0 HD23 LEU A 264 0.135 6.332 -7.528 1.00 0.18 H new ATOM 702 N VAL A 265 2.375 3.936 -4.399 1.00 0.14 N ATOM 703 CA VAL A 265 2.430 2.505 -4.626 1.00 0.15 C ATOM 704 C VAL A 265 1.007 2.004 -4.780 1.00 0.15 C ATOM 705 O VAL A 265 0.098 2.588 -4.203 1.00 0.27 O ATOM 706 CB VAL A 265 3.141 1.776 -3.445 1.00 0.20 C ATOM 707 CG1 VAL A 265 2.175 0.988 -2.576 1.00 0.40 C ATOM 708 CG2 VAL A 265 4.223 0.855 -3.944 1.00 0.41 C ATOM 0 H VAL A 265 1.651 4.230 -3.743 1.00 0.14 H new ATOM 0 HA VAL A 265 3.007 2.295 -5.527 1.00 0.15 H new ATOM 0 HB VAL A 265 3.583 2.562 -2.832 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.724 0.501 -1.770 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.432 1.664 -2.152 1.00 0.40 H new ATOM 0 HG13 VAL A 265 1.674 0.233 -3.181 1.00 0.40 H new ATOM 0 HG21 VAL A 265 4.700 0.362 -3.097 1.00 0.41 H new ATOM 0 HG22 VAL A 265 3.787 0.104 -4.603 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.967 1.432 -4.494 1.00 0.41 H new ATOM 718 N LYS A 266 0.783 0.961 -5.555 1.00 0.13 N ATOM 719 CA LYS A 266 -0.548 0.402 -5.609 1.00 0.15 C ATOM 720 C LYS A 266 -0.561 -0.874 -4.782 1.00 0.13 C ATOM 721 O LYS A 266 0.007 -1.897 -5.153 1.00 0.14 O ATOM 722 CB LYS A 266 -1.057 0.225 -7.067 1.00 0.24 C ATOM 723 CG LYS A 266 -0.474 -0.925 -7.878 1.00 0.85 C ATOM 724 CD LYS A 266 -1.225 -2.233 -7.670 1.00 0.49 C ATOM 725 CE LYS A 266 -0.639 -3.341 -8.526 1.00 0.82 C ATOM 726 NZ LYS A 266 -1.417 -4.604 -8.428 1.00 1.32 N ATOM 0 H LYS A 266 1.481 0.498 -6.137 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.266 1.096 -5.172 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -2.139 0.099 -7.033 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.861 1.151 -7.607 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -0.494 -0.664 -8.936 1.00 0.85 H new ATOM 0 HG3 LYS A 266 0.572 -1.064 -7.603 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.180 -2.519 -6.619 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -2.277 -2.095 -7.918 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -0.609 -3.016 -9.566 1.00 0.82 H new ATOM 0 HE3 LYS A 266 0.391 -3.527 -8.220 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -0.770 -5.397 -8.247 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -2.101 -4.531 -7.648 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -1.925 -4.769 -9.320 1.00 1.32 H new ATOM 740 N VAL A 267 -1.130 -0.776 -3.600 1.00 0.16 N ATOM 741 CA VAL A 267 -1.169 -1.901 -2.702 1.00 0.16 C ATOM 742 C VAL A 267 -2.168 -2.923 -3.220 1.00 0.17 C ATOM 743 O VAL A 267 -3.382 -2.723 -3.157 1.00 0.25 O ATOM 744 CB VAL A 267 -1.535 -1.487 -1.266 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.313 -2.636 -0.325 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.744 -0.268 -0.817 1.00 0.63 C ATOM 0 H VAL A 267 -1.570 0.072 -3.242 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.170 -2.336 -2.666 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.591 -1.216 -1.253 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.575 -2.332 0.688 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -1.938 -3.478 -0.625 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.265 -2.934 -0.355 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.029 -0.004 0.202 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.322 -0.494 -0.849 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -0.957 0.569 -1.481 1.00 0.63 H new ATOM 756 N THR A 268 -1.638 -4.007 -3.752 1.00 0.15 N ATOM 757 CA THR A 268 -2.433 -5.039 -4.366 1.00 0.19 C ATOM 758 C THR A 268 -2.971 -5.989 -3.300 1.00 0.22 C ATOM 759 O THR A 268 -3.866 -6.794 -3.551 1.00 0.34 O ATOM 760 CB THR A 268 -1.577 -5.823 -5.377 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.379 -6.750 -6.114 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.450 -6.554 -4.658 1.00 0.29 C ATOM 0 H THR A 268 -0.635 -4.193 -3.768 1.00 0.15 H new ATOM 0 HA THR A 268 -3.272 -4.578 -4.886 1.00 0.19 H new ATOM 0 HB THR A 268 -1.144 -5.113 -6.081 1.00 0.24 H new ATOM 0 HG1 THR A 268 -3.173 -6.985 -5.589 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.148 -7.105 -5.384 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.181 -5.831 -4.142 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.872 -7.250 -3.933 1.00 0.29 H new ATOM 770 N LYS A 269 -2.416 -5.876 -2.107 1.00 0.18 N ATOM 771 CA LYS A 269 -2.720 -6.753 -1.026 1.00 0.20 C ATOM 772 C LYS A 269 -3.423 -5.951 0.052 1.00 0.22 C ATOM 773 O LYS A 269 -2.844 -5.049 0.624 1.00 0.35 O ATOM 774 CB LYS A 269 -1.386 -7.347 -0.561 1.00 0.23 C ATOM 775 CG LYS A 269 -1.448 -8.241 0.648 1.00 0.40 C ATOM 776 CD LYS A 269 -1.549 -7.427 1.906 1.00 1.55 C ATOM 777 CE LYS A 269 -2.282 -8.168 2.987 1.00 2.25 C ATOM 778 NZ LYS A 269 -1.571 -9.401 3.415 1.00 2.84 N ATOM 0 H LYS A 269 -1.732 -5.156 -1.873 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.388 -7.569 -1.302 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.956 -7.915 -1.386 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.701 -6.527 -0.347 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -2.307 -8.907 0.570 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -0.559 -8.871 0.687 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.549 -7.169 2.255 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -2.064 -6.490 1.693 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -2.414 -7.512 3.847 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -3.278 -8.432 2.631 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -2.159 -10.232 3.202 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -0.668 -9.476 2.905 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -1.388 -9.359 4.438 1.00 2.84 H new ATOM 792 N ILE A 270 -4.681 -6.248 0.303 1.00 0.33 N ATOM 793 CA ILE A 270 -5.426 -5.518 1.313 1.00 0.39 C ATOM 794 C ILE A 270 -5.508 -6.350 2.594 1.00 0.55 C ATOM 795 O ILE A 270 -5.435 -7.576 2.533 1.00 0.73 O ATOM 796 CB ILE A 270 -6.840 -5.148 0.809 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.689 -6.403 0.580 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.737 -4.338 -0.481 1.00 1.09 C ATOM 799 CD1 ILE A 270 -9.105 -6.102 0.134 1.00 1.90 C ATOM 0 H ILE A 270 -5.207 -6.982 -0.172 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.901 -4.587 1.525 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.329 -4.544 1.573 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -7.205 -7.027 -0.171 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -7.723 -6.983 1.503 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.737 -4.081 -0.830 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.172 -3.425 -0.293 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.228 -4.929 -1.242 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -9.648 -7.036 -0.009 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -9.607 -5.504 0.895 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -9.081 -5.549 -0.805 1.00 1.90 H new ATOM 811 N ASN A 271 -5.616 -5.700 3.751 1.00 0.60 N ATOM 812 CA ASN A 271 -5.629 -6.430 5.021 1.00 0.82 C ATOM 813 C ASN A 271 -6.401 -5.678 6.108 1.00 0.70 C ATOM 814 O ASN A 271 -7.089 -4.696 5.839 1.00 0.87 O ATOM 815 CB ASN A 271 -4.196 -6.691 5.494 1.00 1.17 C ATOM 816 CG ASN A 271 -3.527 -5.446 6.025 1.00 1.58 C ATOM 817 OD1 ASN A 271 -3.487 -5.207 7.228 1.00 2.28 O ATOM 818 ND2 ASN A 271 -3.023 -4.629 5.131 1.00 1.88 N ATOM 0 H ASN A 271 -5.695 -4.687 3.838 1.00 0.60 H new ATOM 0 HA ASN A 271 -6.138 -7.378 4.845 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -4.207 -7.454 6.272 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.610 -7.089 4.666 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.578 -3.760 5.427 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -3.076 -4.863 4.140 1.00 1.88 H new ATOM 825 N MET A 272 -6.254 -6.148 7.343 1.00 0.81 N ATOM 826 CA MET A 272 -7.013 -5.630 8.476 1.00 0.97 C ATOM 827 C MET A 272 -6.310 -4.476 9.197 1.00 1.02 C ATOM 828 O MET A 272 -6.926 -3.455 9.492 1.00 1.22 O ATOM 829 CB MET A 272 -7.289 -6.764 9.471 1.00 1.24 C ATOM 830 CG MET A 272 -6.032 -7.509 9.903 1.00 1.30 C ATOM 831 SD MET A 272 -6.336 -8.706 11.216 1.00 2.03 S ATOM 832 CE MET A 272 -4.684 -9.358 11.456 1.00 2.52 C ATOM 0 H MET A 272 -5.606 -6.898 7.586 1.00 0.81 H new ATOM 0 HA MET A 272 -7.946 -5.232 8.076 1.00 0.97 H new ATOM 0 HB2 MET A 272 -7.780 -6.352 10.353 1.00 1.24 H new ATOM 0 HB3 MET A 272 -7.985 -7.472 9.020 1.00 1.24 H new ATOM 0 HG2 MET A 272 -5.608 -8.024 9.041 1.00 1.30 H new ATOM 0 HG3 MET A 272 -5.288 -6.788 10.242 1.00 1.30 H new ATOM 0 HE1 MET A 272 -4.702 -10.115 12.240 1.00 2.52 H new ATOM 0 HE2 MET A 272 -4.331 -9.806 10.527 1.00 2.52 H new ATOM 0 HE3 MET A 272 -4.013 -8.550 11.747 1.00 2.52 H new ATOM 842 N SER A 273 -5.026 -4.633 9.464 1.00 0.93 N ATOM 843 CA SER A 273 -4.313 -3.723 10.358 1.00 1.02 C ATOM 844 C SER A 273 -3.537 -2.645 9.600 1.00 0.91 C ATOM 845 O SER A 273 -2.760 -1.900 10.195 1.00 1.14 O ATOM 846 CB SER A 273 -3.361 -4.519 11.252 1.00 1.14 C ATOM 847 OG SER A 273 -4.058 -5.523 11.975 1.00 1.50 O ATOM 0 H SER A 273 -4.451 -5.381 9.077 1.00 0.93 H new ATOM 0 HA SER A 273 -5.060 -3.213 10.966 1.00 1.02 H new ATOM 0 HB2 SER A 273 -2.584 -4.979 10.642 1.00 1.14 H new ATOM 0 HB3 SER A 273 -2.862 -3.845 11.948 1.00 1.14 H new ATOM 0 HG SER A 273 -3.427 -6.019 12.538 1.00 1.50 H new ATOM 853 N GLY A 274 -3.741 -2.561 8.292 1.00 0.64 N ATOM 854 CA GLY A 274 -3.051 -1.555 7.514 1.00 0.61 C ATOM 855 C GLY A 274 -1.640 -1.972 7.163 1.00 0.49 C ATOM 856 O GLY A 274 -0.866 -1.180 6.644 1.00 0.57 O ATOM 0 H GLY A 274 -4.367 -3.167 7.761 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.609 -1.361 6.598 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -3.023 -0.621 8.075 1.00 0.61 H new ATOM 860 N GLN A 275 -1.305 -3.226 7.425 1.00 0.41 N ATOM 861 CA GLN A 275 0.025 -3.724 7.127 1.00 0.40 C ATOM 862 C GLN A 275 -0.062 -4.617 5.906 1.00 0.32 C ATOM 863 O GLN A 275 -0.213 -5.836 6.015 1.00 0.41 O ATOM 864 CB GLN A 275 0.606 -4.490 8.315 1.00 0.56 C ATOM 865 CG GLN A 275 2.099 -4.767 8.186 1.00 0.69 C ATOM 866 CD GLN A 275 2.650 -5.588 9.334 1.00 0.76 C ATOM 867 OE1 GLN A 275 2.706 -6.816 9.266 1.00 1.36 O ATOM 868 NE2 GLN A 275 3.059 -4.914 10.397 1.00 0.81 N ATOM 0 H GLN A 275 -1.934 -3.913 7.841 1.00 0.41 H new ATOM 0 HA GLN A 275 0.692 -2.885 6.928 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.427 -3.921 9.227 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.076 -5.437 8.421 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.286 -5.291 7.249 1.00 0.69 H new ATOM 0 HG3 GLN A 275 2.636 -3.820 8.134 1.00 0.69 H new ATOM 0 HE21 GLN A 275 2.995 -3.896 10.411 1.00 0.81 H new ATOM 0 HE22 GLN A 275 3.439 -5.412 11.202 1.00 0.81 H new ATOM 877 N TRP A 276 -0.032 -3.991 4.745 1.00 0.22 N ATOM 878 CA TRP A 276 -0.276 -4.688 3.500 1.00 0.17 C ATOM 879 C TRP A 276 0.986 -4.866 2.688 1.00 0.15 C ATOM 880 O TRP A 276 2.079 -4.470 3.099 1.00 0.19 O ATOM 881 CB TRP A 276 -1.298 -3.941 2.648 1.00 0.18 C ATOM 882 CG TRP A 276 -1.510 -2.500 3.019 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.562 -1.517 3.080 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.758 -1.873 3.336 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.141 -0.327 3.442 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.489 -0.518 3.599 1.00 0.31 C ATOM 887 CE3 TRP A 276 -4.076 -2.327 3.432 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.487 0.383 3.947 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -5.068 -1.429 3.777 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.768 -0.086 4.032 1.00 0.47 C ATOM 0 H TRP A 276 0.160 -2.995 4.640 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.661 -5.671 3.771 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -0.982 -3.988 1.606 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.253 -4.461 2.716 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.489 -1.657 2.873 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.648 0.556 3.573 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.315 -3.362 3.240 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.258 1.420 4.144 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -6.090 -1.769 3.851 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.564 0.593 4.301 1.00 0.47 H new ATOM 901 N GLU A 277 0.801 -5.436 1.510 1.00 0.12 N ATOM 902 CA GLU A 277 1.875 -5.663 0.594 1.00 0.12 C ATOM 903 C GLU A 277 1.705 -4.726 -0.574 1.00 0.11 C ATOM 904 O GLU A 277 0.643 -4.695 -1.174 1.00 0.12 O ATOM 905 CB GLU A 277 1.839 -7.091 0.074 1.00 0.14 C ATOM 906 CG GLU A 277 2.485 -8.135 0.976 1.00 0.19 C ATOM 907 CD GLU A 277 1.734 -8.422 2.264 1.00 1.21 C ATOM 908 OE1 GLU A 277 1.987 -7.724 3.264 1.00 2.07 O ATOM 909 OE2 GLU A 277 0.863 -9.312 2.281 1.00 1.55 O ATOM 0 H GLU A 277 -0.108 -5.752 1.172 1.00 0.12 H new ATOM 0 HA GLU A 277 2.824 -5.493 1.103 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.799 -7.373 -0.091 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.335 -7.118 -0.896 1.00 0.14 H new ATOM 0 HG2 GLU A 277 2.585 -9.065 0.416 1.00 0.19 H new ATOM 0 HG3 GLU A 277 3.493 -7.804 1.227 1.00 0.19 H new ATOM 916 N GLY A 278 2.732 -3.991 -0.913 1.00 0.13 N ATOM 917 CA GLY A 278 2.603 -3.040 -1.983 1.00 0.12 C ATOM 918 C GLY A 278 3.047 -3.619 -3.285 1.00 0.12 C ATOM 919 O GLY A 278 3.666 -4.681 -3.326 1.00 0.15 O ATOM 0 H GLY A 278 3.651 -4.031 -0.472 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.565 -2.718 -2.062 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.195 -2.153 -1.757 1.00 0.12 H new ATOM 923 N GLU A 279 2.738 -2.920 -4.341 1.00 0.11 N ATOM 924 CA GLU A 279 3.229 -3.273 -5.640 1.00 0.14 C ATOM 925 C GLU A 279 3.338 -2.005 -6.464 1.00 0.17 C ATOM 926 O GLU A 279 2.360 -1.292 -6.665 1.00 0.20 O ATOM 927 CB GLU A 279 2.298 -4.295 -6.297 1.00 0.20 C ATOM 928 CG GLU A 279 2.798 -4.824 -7.630 1.00 0.31 C ATOM 929 CD GLU A 279 2.114 -6.115 -8.025 1.00 1.08 C ATOM 930 OE1 GLU A 279 0.899 -6.090 -8.318 1.00 1.27 O ATOM 931 OE2 GLU A 279 2.787 -7.169 -8.025 1.00 2.07 O ATOM 0 H GLU A 279 2.141 -2.093 -4.324 1.00 0.11 H new ATOM 0 HA GLU A 279 4.212 -3.737 -5.566 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.158 -5.134 -5.615 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.320 -3.837 -6.444 1.00 0.20 H new ATOM 0 HG2 GLU A 279 2.629 -4.074 -8.403 1.00 0.31 H new ATOM 0 HG3 GLU A 279 3.874 -4.987 -7.574 1.00 0.31 H new ATOM 938 N CYS A 280 4.534 -1.695 -6.903 1.00 0.20 N ATOM 939 CA CYS A 280 4.749 -0.491 -7.685 1.00 0.27 C ATOM 940 C CYS A 280 5.535 -0.772 -8.932 1.00 0.29 C ATOM 941 O CYS A 280 6.762 -0.825 -8.881 1.00 0.33 O ATOM 942 CB CYS A 280 5.496 0.564 -6.876 1.00 0.39 C ATOM 943 SG CYS A 280 5.816 2.104 -7.769 1.00 0.51 S ATOM 0 H CYS A 280 5.372 -2.253 -6.736 1.00 0.20 H new ATOM 0 HA CYS A 280 3.761 -0.120 -7.957 1.00 0.27 H new ATOM 0 HB2 CYS A 280 4.920 0.792 -5.979 1.00 0.39 H new ATOM 0 HB3 CYS A 280 6.447 0.145 -6.546 1.00 0.39 H new ATOM 0 HG CYS A 280 5.226 3.089 -7.160 1.00 0.51 H new ATOM 949 N ASN A 281 4.825 -0.944 -10.041 1.00 0.37 N ATOM 950 CA ASN A 281 5.452 -1.053 -11.349 1.00 0.49 C ATOM 951 C ASN A 281 6.621 -2.028 -11.309 1.00 0.45 C ATOM 952 O ASN A 281 7.674 -1.799 -11.904 1.00 0.53 O ATOM 953 CB ASN A 281 5.890 0.337 -11.818 1.00 0.63 C ATOM 954 CG ASN A 281 4.699 1.241 -12.099 1.00 0.80 C ATOM 955 OD1 ASN A 281 4.247 1.350 -13.240 1.00 1.44 O ATOM 956 ND2 ASN A 281 4.155 1.870 -11.057 1.00 0.97 N ATOM 0 H ASN A 281 3.807 -1.011 -10.058 1.00 0.37 H new ATOM 0 HA ASN A 281 4.732 -1.449 -12.065 1.00 0.49 H new ATOM 0 HB2 ASN A 281 6.522 0.795 -11.057 1.00 0.63 H new ATOM 0 HB3 ASN A 281 6.495 0.242 -12.720 1.00 0.63 H new ATOM 0 HD21 ASN A 281 3.337 2.465 -11.191 1.00 0.97 H new ATOM 0 HD22 ASN A 281 4.556 1.756 -10.126 1.00 0.97 H new ATOM 963 N GLY A 282 6.405 -3.130 -10.605 1.00 0.37 N ATOM 964 CA GLY A 282 7.383 -4.180 -10.539 1.00 0.39 C ATOM 965 C GLY A 282 8.113 -4.281 -9.215 1.00 0.34 C ATOM 966 O GLY A 282 8.909 -5.198 -9.023 1.00 0.46 O ATOM 0 H GLY A 282 5.554 -3.310 -10.073 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.890 -5.131 -10.740 1.00 0.39 H new ATOM 0 HA3 GLY A 282 8.115 -4.027 -11.332 1.00 0.39 H new ATOM 970 N LYS A 283 7.860 -3.363 -8.293 1.00 0.25 N ATOM 971 CA LYS A 283 8.259 -3.599 -6.921 1.00 0.23 C ATOM 972 C LYS A 283 7.093 -4.208 -6.182 1.00 0.14 C ATOM 973 O LYS A 283 5.947 -3.819 -6.387 1.00 0.17 O ATOM 974 CB LYS A 283 8.688 -2.331 -6.185 1.00 0.33 C ATOM 975 CG LYS A 283 9.618 -1.441 -6.958 1.00 0.74 C ATOM 976 CD LYS A 283 9.124 -0.007 -6.912 1.00 0.61 C ATOM 977 CE LYS A 283 8.589 0.385 -5.550 1.00 1.28 C ATOM 978 NZ LYS A 283 8.134 1.801 -5.539 1.00 1.93 N ATOM 0 H LYS A 283 7.393 -2.473 -8.466 1.00 0.25 H new ATOM 0 HA LYS A 283 9.123 -4.263 -6.948 1.00 0.23 H new ATOM 0 HB2 LYS A 283 7.797 -1.761 -5.922 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.172 -2.616 -5.251 1.00 0.33 H new ATOM 0 HG2 LYS A 283 10.623 -1.501 -6.540 1.00 0.74 H new ATOM 0 HG3 LYS A 283 9.682 -1.779 -7.992 1.00 0.74 H new ATOM 0 HD2 LYS A 283 9.940 0.663 -7.183 1.00 0.61 H new ATOM 0 HD3 LYS A 283 8.340 0.127 -7.658 1.00 0.61 H new ATOM 0 HE2 LYS A 283 7.759 -0.269 -5.280 1.00 1.28 H new ATOM 0 HE3 LYS A 283 9.364 0.243 -4.797 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 7.508 1.958 -4.724 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 8.959 2.430 -5.468 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 7.617 2.006 -6.418 1.00 1.93 H new ATOM 992 N ARG A 284 7.398 -5.151 -5.339 1.00 0.16 N ATOM 993 CA ARG A 284 6.436 -5.764 -4.460 1.00 0.12 C ATOM 994 C ARG A 284 6.929 -5.493 -3.051 1.00 0.13 C ATOM 995 O ARG A 284 7.925 -4.804 -2.906 1.00 0.20 O ATOM 996 CB ARG A 284 6.345 -7.265 -4.742 1.00 0.18 C ATOM 997 CG ARG A 284 5.247 -7.995 -3.983 1.00 0.21 C ATOM 998 CD ARG A 284 3.868 -7.666 -4.527 1.00 0.26 C ATOM 999 NE ARG A 284 2.852 -8.563 -3.982 1.00 0.41 N ATOM 1000 CZ ARG A 284 1.905 -9.146 -4.712 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.811 -8.900 -6.016 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.043 -9.971 -4.134 1.00 0.67 N ATOM 0 H ARG A 284 8.341 -5.526 -5.239 1.00 0.16 H new ATOM 0 HA ARG A 284 5.434 -5.360 -4.604 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.186 -7.410 -5.811 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.303 -7.724 -4.497 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.415 -9.070 -4.046 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.295 -7.726 -2.928 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.615 -6.635 -4.281 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.877 -7.741 -5.614 1.00 0.26 H new ATOM 0 HE ARG A 284 2.870 -8.754 -2.980 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.468 -8.260 -6.463 1.00 0.57 H new ATOM 0 HH12 ARG A 284 1.082 -9.351 -6.569 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.107 -10.157 -3.133 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.315 -10.420 -4.690 1.00 0.67 H new ATOM 1016 N GLY A 285 6.202 -5.888 -2.032 1.00 0.14 N ATOM 1017 CA GLY A 285 6.783 -5.919 -0.709 1.00 0.18 C ATOM 1018 C GLY A 285 5.722 -5.821 0.336 1.00 0.14 C ATOM 1019 O GLY A 285 4.578 -6.084 0.042 1.00 0.15 O ATOM 0 H GLY A 285 5.228 -6.186 -2.089 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.347 -6.842 -0.576 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.488 -5.095 -0.597 1.00 0.18 H new ATOM 1023 N HIS A 286 6.084 -5.431 1.541 1.00 0.15 N ATOM 1024 CA HIS A 286 5.096 -5.243 2.587 1.00 0.13 C ATOM 1025 C HIS A 286 5.518 -4.136 3.542 1.00 0.15 C ATOM 1026 O HIS A 286 6.586 -4.190 4.147 1.00 0.20 O ATOM 1027 CB HIS A 286 4.808 -6.557 3.331 1.00 0.18 C ATOM 1028 CG HIS A 286 6.006 -7.285 3.878 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.916 -8.512 4.491 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.318 -6.960 3.897 1.00 0.67 C ATOM 1031 CE1 HIS A 286 7.115 -8.907 4.864 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.989 -7.981 4.518 1.00 0.52 N ATOM 0 H HIS A 286 7.046 -5.239 1.820 1.00 0.15 H new ATOM 0 HA HIS A 286 4.164 -4.932 2.115 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.131 -6.342 4.157 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.280 -7.227 2.652 1.00 0.18 H new ATOM 0 HD1 HIS A 286 5.053 -9.036 4.635 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.758 -6.059 3.496 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.345 -9.834 5.369 1.00 0.65 H new ATOM 1041 N PHE A 287 4.675 -3.122 3.645 1.00 0.14 N ATOM 1042 CA PHE A 287 4.956 -1.956 4.477 1.00 0.17 C ATOM 1043 C PHE A 287 3.665 -1.432 5.103 1.00 0.20 C ATOM 1044 O PHE A 287 2.648 -1.299 4.423 1.00 0.29 O ATOM 1045 CB PHE A 287 5.657 -0.859 3.658 1.00 0.20 C ATOM 1046 CG PHE A 287 7.072 -1.195 3.292 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.015 -1.432 4.279 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.461 -1.275 1.969 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.319 -1.741 3.953 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.764 -1.582 1.636 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.695 -1.816 2.629 1.00 0.30 C ATOM 0 H PHE A 287 3.780 -3.080 3.158 1.00 0.14 H new ATOM 0 HA PHE A 287 5.630 -2.254 5.280 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.088 -0.678 2.746 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.649 0.070 4.228 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.725 -1.374 5.318 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.738 -1.095 1.187 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.043 -1.924 4.733 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.056 -1.639 0.598 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.715 -2.057 2.369 1.00 0.30 H new ATOM 1061 N PRO A 288 3.699 -1.137 6.415 1.00 0.22 N ATOM 1062 CA PRO A 288 2.503 -0.773 7.189 1.00 0.26 C ATOM 1063 C PRO A 288 1.956 0.624 6.888 1.00 0.24 C ATOM 1064 O PRO A 288 2.612 1.453 6.250 1.00 0.28 O ATOM 1065 CB PRO A 288 2.987 -0.849 8.637 1.00 0.33 C ATOM 1066 CG PRO A 288 4.451 -0.583 8.565 1.00 0.54 C ATOM 1067 CD PRO A 288 4.915 -1.145 7.251 1.00 0.32 C ATOM 0 HA PRO A 288 1.672 -1.436 6.948 1.00 0.26 H new ATOM 0 HB2 PRO A 288 2.482 -0.113 9.262 1.00 0.33 H new ATOM 0 HB3 PRO A 288 2.784 -1.828 9.071 1.00 0.33 H new ATOM 0 HG2 PRO A 288 4.656 0.486 8.625 1.00 0.54 H new ATOM 0 HG3 PRO A 288 4.974 -1.055 9.397 1.00 0.54 H new ATOM 0 HD2 PRO A 288 5.706 -0.536 6.813 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.315 -2.153 7.366 1.00 0.32 H new ATOM 1075 N PHE A 289 0.746 0.866 7.392 1.00 0.31 N ATOM 1076 CA PHE A 289 0.017 2.115 7.180 1.00 0.37 C ATOM 1077 C PHE A 289 0.713 3.282 7.886 1.00 0.33 C ATOM 1078 O PHE A 289 0.548 4.440 7.514 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.409 1.968 7.730 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.405 2.950 7.165 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.360 4.293 7.501 1.00 1.07 C ATOM 1082 CD2 PHE A 289 -3.388 2.520 6.292 1.00 0.84 C ATOM 1083 CE1 PHE A 289 -3.274 5.186 6.976 1.00 1.12 C ATOM 1084 CE2 PHE A 289 -4.305 3.406 5.764 1.00 0.81 C ATOM 1085 CZ PHE A 289 -4.248 4.740 6.105 1.00 0.50 C ATOM 0 H PHE A 289 0.239 0.192 7.966 1.00 0.31 H new ATOM 0 HA PHE A 289 -0.010 2.324 6.111 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.760 0.957 7.526 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.380 2.083 8.814 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -1.600 4.647 8.182 1.00 1.07 H new ATOM 0 HD2 PHE A 289 -3.439 1.476 6.020 1.00 0.84 H new ATOM 0 HE1 PHE A 289 -3.227 6.231 7.246 1.00 1.12 H new ATOM 0 HE2 PHE A 289 -5.067 3.054 5.084 1.00 0.81 H new ATOM 0 HZ PHE A 289 -4.964 5.435 5.692 1.00 0.50 H new ATOM 1095 N THR A 290 1.526 2.948 8.874 1.00 0.33 N ATOM 1096 CA THR A 290 2.061 3.909 9.823 1.00 0.41 C ATOM 1097 C THR A 290 2.891 5.035 9.185 1.00 0.38 C ATOM 1098 O THR A 290 3.140 6.055 9.826 1.00 0.57 O ATOM 1099 CB THR A 290 2.905 3.167 10.865 1.00 0.51 C ATOM 1100 OG1 THR A 290 3.790 2.250 10.209 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.016 2.404 11.832 1.00 0.61 C ATOM 0 H THR A 290 1.836 1.991 9.041 1.00 0.33 H new ATOM 0 HA THR A 290 1.204 4.400 10.284 1.00 0.41 H new ATOM 0 HB THR A 290 3.484 3.902 11.425 1.00 0.51 H new ATOM 0 HG1 THR A 290 4.329 1.779 10.879 1.00 0.50 H new ATOM 0 HG21 THR A 290 2.635 1.885 12.563 1.00 0.61 H new ATOM 0 HG22 THR A 290 1.355 3.102 12.347 1.00 0.61 H new ATOM 0 HG23 THR A 290 1.419 1.678 11.281 1.00 0.61 H new ATOM 1109 N HIS A 291 3.297 4.875 7.929 1.00 0.25 N ATOM 1110 CA HIS A 291 4.093 5.899 7.261 1.00 0.26 C ATOM 1111 C HIS A 291 3.752 5.931 5.782 1.00 0.23 C ATOM 1112 O HIS A 291 4.601 6.193 4.924 1.00 0.26 O ATOM 1113 CB HIS A 291 5.610 5.722 7.506 1.00 0.35 C ATOM 1114 CG HIS A 291 6.119 4.305 7.453 1.00 0.40 C ATOM 1115 ND1 HIS A 291 7.074 3.879 6.563 1.00 1.01 N ATOM 1116 CD2 HIS A 291 5.836 3.236 8.230 1.00 1.26 C ATOM 1117 CE1 HIS A 291 7.352 2.609 6.793 1.00 0.72 C ATOM 1118 NE2 HIS A 291 6.615 2.193 7.802 1.00 0.88 N ATOM 0 H HIS A 291 3.091 4.055 7.358 1.00 0.25 H new ATOM 0 HA HIS A 291 3.837 6.865 7.696 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.150 6.311 6.765 1.00 0.35 H new ATOM 0 HB3 HIS A 291 5.853 6.140 8.483 1.00 0.35 H new ATOM 0 HD1 HIS A 291 7.502 4.454 5.837 1.00 1.01 H new ATOM 0 HD2 HIS A 291 5.124 3.209 9.042 1.00 1.26 H new ATOM 0 HE1 HIS A 291 8.065 2.011 6.245 1.00 0.72 H new ATOM 1127 N VAL A 292 2.480 5.663 5.507 1.00 0.21 N ATOM 1128 CA VAL A 292 1.910 5.802 4.178 1.00 0.21 C ATOM 1129 C VAL A 292 0.531 6.453 4.275 1.00 0.24 C ATOM 1130 O VAL A 292 -0.093 6.441 5.336 1.00 0.32 O ATOM 1131 CB VAL A 292 1.776 4.442 3.473 1.00 0.23 C ATOM 1132 CG1 VAL A 292 3.133 3.784 3.309 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.840 3.535 4.240 1.00 0.51 C ATOM 0 H VAL A 292 1.813 5.341 6.208 1.00 0.21 H new ATOM 0 HA VAL A 292 2.584 6.427 3.592 1.00 0.21 H new ATOM 0 HB VAL A 292 1.357 4.614 2.482 1.00 0.23 H new ATOM 0 HG11 VAL A 292 3.013 2.823 2.808 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.779 4.427 2.711 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.583 3.628 4.290 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.758 2.578 3.725 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.231 3.375 5.245 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.145 3.998 4.303 1.00 0.51 H new ATOM 1143 N ARG A 293 0.069 7.036 3.182 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.245 7.661 3.152 1.00 0.24 C ATOM 1145 C ARG A 293 -2.085 7.072 2.048 1.00 0.24 C ATOM 1146 O ARG A 293 -1.870 7.336 0.878 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.114 9.159 2.960 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.275 9.820 4.041 1.00 0.38 C ATOM 1149 CD ARG A 293 -0.978 9.786 5.389 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.085 10.158 6.484 1.00 0.55 N ATOM 1151 CZ ARG A 293 -0.035 9.529 7.658 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.859 8.515 7.911 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.831 9.921 8.584 1.00 0.74 N ATOM 0 H ARG A 293 0.583 7.090 2.303 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.736 7.470 4.106 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.666 9.358 1.986 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.107 9.608 2.952 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.687 9.313 4.118 1.00 0.38 H new ATOM 0 HG3 ARG A 293 -0.069 10.854 3.763 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.830 10.465 5.370 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.372 8.785 5.567 1.00 0.45 H new ATOM 0 HE ARG A 293 0.541 10.951 6.341 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -1.532 8.216 7.205 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.817 8.036 8.811 1.00 0.69 H new ATOM 0 HH21 ARG A 293 1.458 10.703 8.397 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.869 9.440 9.483 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.058 6.296 2.436 1.00 0.23 N ATOM 1168 CA LEU A 294 -3.775 5.460 1.503 1.00 0.26 C ATOM 1169 C LEU A 294 -4.808 6.243 0.709 1.00 0.27 C ATOM 1170 O LEU A 294 -5.611 7.016 1.233 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.378 4.302 2.292 1.00 0.38 C ATOM 1172 CG LEU A 294 -4.782 3.027 1.558 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -5.894 3.276 0.562 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -3.576 2.410 0.900 1.00 1.31 C ATOM 0 H LEU A 294 -3.378 6.222 3.402 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.095 5.066 0.748 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -3.660 4.022 3.063 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.263 4.680 2.803 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.177 2.323 2.290 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -6.151 2.342 0.062 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -6.770 3.661 1.084 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -5.563 4.005 -0.178 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -3.872 1.500 0.378 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -3.150 3.115 0.187 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -2.832 2.167 1.659 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.718 6.009 -0.575 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.524 6.619 -1.602 1.00 0.31 C ATOM 1188 C LEU A 295 -6.729 5.766 -1.953 1.00 0.36 C ATOM 1189 O LEU A 295 -6.811 5.237 -3.064 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.686 6.855 -2.833 1.00 0.33 C ATOM 1191 CG LEU A 295 -3.891 8.144 -2.833 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -2.635 7.999 -1.995 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.576 8.527 -4.256 1.00 0.39 C ATOM 0 H LEU A 295 -4.040 5.348 -0.954 1.00 0.27 H new ATOM 0 HA LEU A 295 -5.892 7.570 -1.218 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -3.995 6.020 -2.948 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.340 6.850 -3.705 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.481 8.942 -2.382 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.078 8.936 -2.008 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -2.909 7.754 -0.969 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.014 7.202 -2.405 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -3.003 9.455 -4.265 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -2.992 7.735 -4.725 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.505 8.669 -4.809 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.570 5.566 -0.951 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.776 4.720 -1.014 1.00 0.66 C ATOM 1207 C ASP A 296 -9.317 4.537 -2.428 1.00 0.86 C ATOM 1208 O ASP A 296 -9.494 5.506 -3.173 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.885 5.314 -0.147 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.488 5.459 1.306 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -8.929 6.518 1.668 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -9.742 4.525 2.095 1.00 1.97 O ATOM 0 H ASP A 296 -7.438 5.997 -0.036 1.00 0.55 H new ATOM 0 HA ASP A 296 -8.471 3.741 -0.645 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -10.162 6.292 -0.541 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -10.770 4.681 -0.214 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.579 3.280 -2.769 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.105 2.904 -4.080 1.00 0.87 C ATOM 1219 C GLN A 297 -11.360 3.699 -4.428 1.00 1.60 C ATOM 1220 O GLN A 297 -11.279 4.572 -5.326 1.00 2.38 O ATOM 1221 CB GLN A 297 -10.408 1.391 -4.175 1.00 1.01 C ATOM 1222 CG GLN A 297 -10.424 0.622 -2.849 1.00 2.20 C ATOM 1223 CD GLN A 297 -11.430 1.144 -1.828 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -11.088 1.943 -0.959 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -12.672 0.693 -1.923 1.00 3.77 N ATOM 1226 OXT GLN A 297 -12.412 3.453 -3.815 1.00 2.17 O ATOM 0 H GLN A 297 -9.433 2.489 -2.143 1.00 0.62 H new ATOM 0 HA GLN A 297 -9.323 3.142 -4.801 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -11.378 1.265 -4.656 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -9.666 0.933 -4.828 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -10.643 -0.426 -3.054 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -9.427 0.659 -2.410 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -12.919 0.030 -2.658 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -13.381 1.009 -1.261 1.00 3.77 H new