USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=13 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= -0.39 USER MOD Set 1.2: A 291 HIS : no HE2:sc= -0.54 K(o=-0.93,f=-7.8!) USER MOD Set 2.1: A 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 273 SER OG : rot 180:sc= -1.45 USER MOD Single : A 228 ASN : amide:sc= 0.518 K(o=0.52,f=-0.0053) USER MOD Single : A 229 THR OG1 : rot 73:sc= 1.13 USER MOD Single : A 233 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 235 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 236 ASN : amide:sc= -1.73! K(o=-1.7!,f=-1.2) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= -1.25! K(o=-1.3!,f=-0.04) USER MOD Single : A 246 LYS NZ :NH3+ -112:sc= -1.21 (180deg=-4.91!) USER MOD Single : A 250 ASN : amide:sc= -1.97 K(o=-2,f=-4.9!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ -161:sc= 0.171 (180deg=0.0665) USER MOD Single : A 255 THR OG1 : rot 150:sc= -1.6! USER MOD Single : A 266 LYS NZ :NH3+ 159:sc= -2.15! (180deg=-3.33!) USER MOD Single : A 268 THR OG1 : rot -26:sc= 0.466 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 ASN : amide:sc= -3.82! C(o=-3.8!,f=-11!) USER MOD Single : A 275 GLN : amide:sc=-0.000935 X(o=-0.00094,f=0) USER MOD Single : A 280 CYS SG : rot 107:sc= 0.19 USER MOD Single : A 281 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.018) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HE2:sc= -0.793 X(o=-0.79,f=-1.1) USER MOD Single : A 297 GLN : amide:sc=-0.00742 X(o=-0.0074,f=-0.0074) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 227 -10.910 1.975 2.040 1.00 1.37 N ATOM 98 CA ILE A 227 -10.452 0.615 2.263 1.00 1.12 C ATOM 99 C ILE A 227 -9.409 0.514 3.366 1.00 1.27 C ATOM 100 O ILE A 227 -8.209 0.665 3.131 1.00 1.47 O ATOM 101 CB ILE A 227 -9.882 -0.029 0.979 1.00 0.97 C ATOM 102 CG1 ILE A 227 -10.818 0.165 -0.216 1.00 1.20 C ATOM 103 CG2 ILE A 227 -9.626 -1.509 1.202 1.00 1.14 C ATOM 104 CD1 ILE A 227 -10.528 1.422 -1.006 1.00 1.47 C ATOM 0 HA ILE A 227 -11.342 0.069 2.575 1.00 1.12 H new ATOM 0 HB ILE A 227 -8.941 0.471 0.751 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -10.736 -0.698 -0.877 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -11.848 0.197 0.140 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -9.225 -1.950 0.290 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.909 -1.636 2.013 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -10.561 -2.005 1.464 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -11.228 1.498 -1.838 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -10.638 2.292 -0.359 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -9.509 1.383 -1.391 1.00 1.47 H new ATOM 116 N ASN A 228 -9.887 0.300 4.573 1.00 1.52 N ATOM 117 CA ASN A 228 -9.042 -0.104 5.682 1.00 1.82 C ATOM 118 C ASN A 228 -9.878 -0.975 6.605 1.00 1.80 C ATOM 119 O ASN A 228 -10.667 -0.445 7.379 1.00 2.07 O ATOM 120 CB ASN A 228 -8.517 1.133 6.418 1.00 2.42 C ATOM 121 CG ASN A 228 -7.554 0.803 7.542 1.00 3.09 C ATOM 122 OD1 ASN A 228 -7.959 0.604 8.685 1.00 3.44 O ATOM 123 ND2 ASN A 228 -6.269 0.762 7.228 1.00 3.83 N ATOM 0 H ASN A 228 -10.873 0.401 4.816 1.00 1.52 H new ATOM 0 HA ASN A 228 -8.177 -0.665 5.328 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -8.018 1.787 5.703 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -9.361 1.690 6.825 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -5.575 0.559 7.947 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -5.973 0.933 6.267 1.00 3.83 H new ATOM 130 N THR A 229 -9.648 -2.295 6.539 1.00 1.66 N ATOM 131 CA THR A 229 -10.514 -3.326 7.155 1.00 1.67 C ATOM 132 C THR A 229 -10.380 -4.671 6.413 1.00 1.68 C ATOM 133 O THR A 229 -10.013 -5.687 7.010 1.00 2.22 O ATOM 134 CB THR A 229 -12.037 -2.965 7.144 1.00 1.80 C ATOM 135 OG1 THR A 229 -12.354 -2.006 8.160 1.00 1.91 O ATOM 136 CG2 THR A 229 -12.907 -4.197 7.360 1.00 1.88 C ATOM 0 H THR A 229 -8.844 -2.688 6.050 1.00 1.66 H new ATOM 0 HA THR A 229 -10.170 -3.388 8.187 1.00 1.67 H new ATOM 0 HB THR A 229 -12.244 -2.541 6.161 1.00 1.80 H new ATOM 0 HG1 THR A 229 -12.010 -1.126 7.898 1.00 1.91 H new ATOM 0 HG21 THR A 229 -13.958 -3.907 7.346 1.00 1.88 H new ATOM 0 HG22 THR A 229 -12.719 -4.919 6.565 1.00 1.88 H new ATOM 0 HG23 THR A 229 -12.667 -4.647 8.323 1.00 1.88 H new ATOM 144 N PRO A 230 -10.662 -4.683 5.089 1.00 1.34 N ATOM 145 CA PRO A 230 -10.966 -5.899 4.349 1.00 1.46 C ATOM 146 C PRO A 230 -9.753 -6.613 3.765 1.00 1.44 C ATOM 147 O PRO A 230 -8.686 -6.025 3.584 1.00 1.32 O ATOM 148 CB PRO A 230 -11.872 -5.388 3.228 1.00 1.46 C ATOM 149 CG PRO A 230 -11.484 -3.965 3.001 1.00 1.48 C ATOM 150 CD PRO A 230 -10.678 -3.516 4.190 1.00 1.35 C ATOM 0 HA PRO A 230 -11.409 -6.652 5.002 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -11.740 -5.978 2.321 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -12.922 -5.466 3.509 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -10.901 -3.869 2.085 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -12.370 -3.341 2.882 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -9.669 -3.226 3.898 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -11.131 -2.650 4.672 1.00 1.35 H new ATOM 158 N LEU A 231 -9.940 -7.904 3.512 1.00 1.78 N ATOM 159 CA LEU A 231 -8.951 -8.730 2.831 1.00 1.82 C ATOM 160 C LEU A 231 -8.690 -8.200 1.414 1.00 1.52 C ATOM 161 O LEU A 231 -9.452 -7.371 0.911 1.00 1.52 O ATOM 162 CB LEU A 231 -9.450 -10.179 2.771 1.00 2.34 C ATOM 163 CG LEU A 231 -9.697 -10.839 4.128 1.00 2.79 C ATOM 164 CD1 LEU A 231 -10.266 -12.236 3.944 1.00 3.30 C ATOM 165 CD2 LEU A 231 -8.409 -10.888 4.940 1.00 3.42 C ATOM 0 H LEU A 231 -10.786 -8.409 3.775 1.00 1.78 H new ATOM 0 HA LEU A 231 -8.014 -8.693 3.387 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -10.377 -10.204 2.199 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -8.721 -10.775 2.222 1.00 2.34 H new ATOM 0 HG LEU A 231 -10.425 -10.241 4.675 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -10.436 -12.691 4.920 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -11.210 -12.176 3.402 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -9.561 -12.844 3.378 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -8.604 -11.361 5.903 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -7.659 -11.464 4.398 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -8.042 -9.874 5.101 1.00 3.42 H new ATOM 177 N PRO A 232 -7.611 -8.668 0.756 1.00 1.40 N ATOM 178 CA PRO A 232 -7.216 -8.186 -0.575 1.00 1.28 C ATOM 179 C PRO A 232 -8.332 -8.273 -1.618 1.00 1.55 C ATOM 180 O PRO A 232 -8.917 -9.338 -1.826 1.00 1.84 O ATOM 181 CB PRO A 232 -6.051 -9.104 -0.970 1.00 1.40 C ATOM 182 CG PRO A 232 -6.077 -10.236 0.002 1.00 1.45 C ATOM 183 CD PRO A 232 -6.676 -9.686 1.259 1.00 1.54 C ATOM 0 HA PRO A 232 -6.958 -7.127 -0.539 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -6.166 -9.464 -1.992 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -5.101 -8.572 -0.925 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -6.670 -11.066 -0.382 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -5.072 -10.618 0.183 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -7.189 -10.457 1.834 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -5.919 -9.252 1.912 1.00 1.54 H new ATOM 191 N ASN A 233 -8.597 -7.131 -2.268 1.00 1.58 N ATOM 192 CA ASN A 233 -9.588 -7.020 -3.344 1.00 2.01 C ATOM 193 C ASN A 233 -11.008 -7.246 -2.820 1.00 1.76 C ATOM 194 O ASN A 233 -11.373 -8.356 -2.439 1.00 2.31 O ATOM 195 CB ASN A 233 -9.273 -8.003 -4.484 1.00 2.67 C ATOM 196 CG ASN A 233 -10.174 -7.803 -5.690 1.00 3.38 C ATOM 197 OD1 ASN A 233 -9.877 -6.994 -6.572 1.00 3.96 O ATOM 198 ND2 ASN A 233 -11.267 -8.545 -5.750 1.00 3.82 N ATOM 0 H ASN A 233 -8.125 -6.252 -2.059 1.00 1.58 H new ATOM 0 HA ASN A 233 -9.532 -6.005 -3.738 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -8.233 -7.881 -4.787 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -9.381 -9.024 -4.119 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -11.899 -8.459 -6.546 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -11.478 -9.203 -5.000 1.00 3.82 H new ATOM 205 N LEU A 234 -11.818 -6.189 -2.804 1.00 1.61 N ATOM 206 CA LEU A 234 -13.170 -6.292 -2.306 1.00 1.90 C ATOM 207 C LEU A 234 -14.138 -5.973 -3.427 1.00 1.69 C ATOM 208 O LEU A 234 -14.677 -6.858 -4.094 1.00 1.91 O ATOM 209 CB LEU A 234 -13.382 -5.291 -1.162 1.00 2.77 C ATOM 210 CG LEU A 234 -14.434 -5.654 -0.107 1.00 3.77 C ATOM 211 CD1 LEU A 234 -14.589 -4.498 0.865 1.00 4.30 C ATOM 212 CD2 LEU A 234 -15.777 -5.998 -0.741 1.00 4.49 C ATOM 0 H LEU A 234 -11.554 -5.259 -3.131 1.00 1.61 H new ATOM 0 HA LEU A 234 -13.342 -7.304 -1.939 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -12.428 -5.149 -0.654 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -13.657 -4.331 -1.598 1.00 2.77 H new ATOM 0 HG LEU A 234 -14.093 -6.542 0.426 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -15.336 -4.752 1.617 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -13.634 -4.303 1.354 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -14.908 -3.607 0.323 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -16.494 -6.249 0.040 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -16.142 -5.141 -1.307 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -15.656 -6.850 -1.410 1.00 4.49 H new ATOM 224 N GLN A 235 -14.325 -4.685 -3.631 1.00 1.58 N ATOM 225 CA GLN A 235 -15.344 -4.187 -4.512 1.00 1.78 C ATOM 226 C GLN A 235 -14.728 -3.716 -5.818 1.00 1.59 C ATOM 227 O GLN A 235 -14.899 -4.344 -6.862 1.00 1.97 O ATOM 228 CB GLN A 235 -16.050 -3.063 -3.786 1.00 2.17 C ATOM 229 CG GLN A 235 -17.314 -2.559 -4.462 1.00 2.56 C ATOM 230 CD GLN A 235 -18.008 -1.487 -3.650 1.00 3.18 C ATOM 231 OE1 GLN A 235 -17.939 -1.482 -2.421 1.00 3.71 O ATOM 232 NE2 GLN A 235 -18.672 -0.565 -4.327 1.00 3.72 N ATOM 0 H GLN A 235 -13.768 -3.956 -3.185 1.00 1.58 H new ATOM 0 HA GLN A 235 -16.060 -4.967 -4.770 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -16.303 -3.401 -2.781 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -15.357 -2.229 -3.676 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -17.064 -2.162 -5.446 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -17.998 -3.393 -4.619 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -18.705 -0.605 -5.346 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -19.151 0.186 -3.830 1.00 3.72 H new ATOM 241 N ASN A 236 -13.995 -2.614 -5.742 1.00 1.40 N ATOM 242 CA ASN A 236 -13.239 -2.130 -6.887 1.00 1.65 C ATOM 243 C ASN A 236 -11.922 -2.890 -6.951 1.00 1.69 C ATOM 244 O ASN A 236 -11.518 -3.378 -8.006 1.00 2.36 O ATOM 245 CB ASN A 236 -12.996 -0.622 -6.743 1.00 2.09 C ATOM 246 CG ASN A 236 -12.142 -0.045 -7.851 1.00 2.95 C ATOM 247 OD1 ASN A 236 -12.185 -0.501 -8.993 1.00 3.67 O ATOM 248 ND2 ASN A 236 -11.367 0.972 -7.518 1.00 3.34 N ATOM 0 H ASN A 236 -13.908 -2.041 -4.903 1.00 1.40 H new ATOM 0 HA ASN A 236 -13.794 -2.296 -7.810 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -13.956 -0.106 -6.728 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -12.515 -0.428 -5.784 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -10.772 1.412 -8.221 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -11.363 1.318 -6.558 1.00 3.34 H new ATOM 255 N GLY A 237 -11.274 -3.001 -5.801 1.00 1.32 N ATOM 256 CA GLY A 237 -10.254 -3.993 -5.604 1.00 1.67 C ATOM 257 C GLY A 237 -9.060 -3.433 -4.873 1.00 1.38 C ATOM 258 O GLY A 237 -8.869 -3.696 -3.686 1.00 1.70 O ATOM 0 H GLY A 237 -11.446 -2.406 -4.990 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -10.665 -4.830 -5.040 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -9.937 -4.385 -6.570 1.00 1.67 H new ATOM 262 N PRO A 238 -8.249 -2.646 -5.570 1.00 0.90 N ATOM 263 CA PRO A 238 -6.999 -2.108 -5.092 1.00 0.65 C ATOM 264 C PRO A 238 -7.110 -0.655 -4.717 1.00 0.50 C ATOM 265 O PRO A 238 -8.091 0.013 -5.037 1.00 0.76 O ATOM 266 CB PRO A 238 -6.111 -2.229 -6.338 1.00 0.65 C ATOM 267 CG PRO A 238 -7.067 -2.561 -7.454 1.00 0.96 C ATOM 268 CD PRO A 238 -8.427 -2.228 -6.944 1.00 0.88 C ATOM 0 HA PRO A 238 -6.638 -2.620 -4.200 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.577 -1.300 -6.536 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.359 -3.008 -6.215 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -6.835 -1.986 -8.350 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -6.999 -3.615 -7.725 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -8.666 -1.169 -7.036 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -9.217 -2.779 -7.455 1.00 0.88 H new ATOM 276 N PHE A 239 -6.116 -0.174 -4.027 1.00 0.37 N ATOM 277 CA PHE A 239 -5.969 1.248 -3.844 1.00 0.28 C ATOM 278 C PHE A 239 -4.552 1.666 -4.148 1.00 0.27 C ATOM 279 O PHE A 239 -3.730 0.862 -4.580 1.00 0.51 O ATOM 280 CB PHE A 239 -6.378 1.676 -2.428 1.00 0.34 C ATOM 281 CG PHE A 239 -5.914 0.749 -1.362 1.00 0.41 C ATOM 282 CD1 PHE A 239 -4.576 0.460 -1.165 1.00 0.35 C ATOM 283 CD2 PHE A 239 -6.843 0.170 -0.545 1.00 0.90 C ATOM 284 CE1 PHE A 239 -4.190 -0.400 -0.168 1.00 0.35 C ATOM 285 CE2 PHE A 239 -6.463 -0.687 0.451 1.00 1.09 C ATOM 286 CZ PHE A 239 -5.133 -0.974 0.638 1.00 0.73 C ATOM 0 H PHE A 239 -5.395 -0.741 -3.581 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.638 1.753 -4.540 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.979 2.671 -2.230 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.464 1.753 -2.382 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -3.830 0.914 -1.800 1.00 0.35 H new ATOM 0 HD2 PHE A 239 -7.890 0.392 -0.687 1.00 0.90 H new ATOM 0 HE1 PHE A 239 -3.144 -0.623 -0.020 1.00 0.35 H new ATOM 0 HE2 PHE A 239 -7.208 -1.138 1.090 1.00 1.09 H new ATOM 0 HZ PHE A 239 -4.832 -1.653 1.422 1.00 0.73 H new ATOM 296 N TYR A 240 -4.285 2.926 -3.933 1.00 0.16 N ATOM 297 CA TYR A 240 -2.970 3.475 -4.094 1.00 0.21 C ATOM 298 C TYR A 240 -2.520 3.940 -2.736 1.00 0.21 C ATOM 299 O TYR A 240 -3.339 4.079 -1.836 1.00 0.36 O ATOM 300 CB TYR A 240 -2.972 4.628 -5.102 1.00 0.25 C ATOM 301 CG TYR A 240 -3.449 4.226 -6.479 1.00 0.25 C ATOM 302 CD1 TYR A 240 -2.883 3.142 -7.138 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.454 4.933 -7.125 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.305 2.773 -8.402 1.00 0.38 C ATOM 305 CE2 TYR A 240 -4.884 4.568 -8.388 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.306 3.489 -9.021 1.00 0.45 C ATOM 307 OH TYR A 240 -4.727 3.130 -10.282 1.00 0.59 O ATOM 0 H TYR A 240 -4.985 3.607 -3.638 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.285 2.724 -4.489 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.609 5.428 -4.725 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.963 5.033 -5.180 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.099 2.577 -6.655 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -4.907 5.781 -6.634 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -2.853 1.929 -8.901 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.669 5.126 -8.876 1.00 0.46 H new ATOM 0 HH TYR A 240 -5.440 3.736 -10.574 1.00 0.59 H new ATOM 317 N ALA A 241 -1.246 4.117 -2.558 1.00 0.17 N ATOM 318 CA ALA A 241 -0.737 4.520 -1.271 1.00 0.19 C ATOM 319 C ALA A 241 0.440 5.475 -1.449 1.00 0.15 C ATOM 320 O ALA A 241 1.468 5.099 -2.012 1.00 0.19 O ATOM 321 CB ALA A 241 -0.323 3.271 -0.514 1.00 0.35 C ATOM 0 H ALA A 241 -0.538 3.991 -3.281 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.503 5.049 -0.704 1.00 0.19 H new ATOM 0 HB1 ALA A 241 0.066 3.551 0.465 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.187 2.619 -0.388 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.450 2.745 -1.075 1.00 0.35 H new ATOM 327 N ARG A 242 0.288 6.705 -0.979 1.00 0.16 N ATOM 328 CA ARG A 242 1.357 7.681 -1.040 1.00 0.16 C ATOM 329 C ARG A 242 2.236 7.563 0.185 1.00 0.14 C ATOM 330 O ARG A 242 1.873 8.002 1.269 1.00 0.23 O ATOM 331 CB ARG A 242 0.834 9.113 -1.123 1.00 0.29 C ATOM 332 CG ARG A 242 1.955 10.141 -1.045 1.00 0.33 C ATOM 333 CD ARG A 242 2.408 10.588 -2.421 1.00 0.79 C ATOM 334 NE ARG A 242 1.401 11.403 -3.088 1.00 1.19 N ATOM 335 CZ ARG A 242 1.617 12.070 -4.217 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.761 11.925 -4.873 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.678 12.870 -4.700 1.00 2.05 N ATOM 0 H ARG A 242 -0.571 7.048 -0.550 1.00 0.16 H new ATOM 0 HA ARG A 242 1.924 7.469 -1.946 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.287 9.245 -2.057 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.127 9.287 -0.312 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.615 11.006 -0.476 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.801 9.716 -0.505 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.334 11.157 -2.331 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.629 9.713 -3.032 1.00 0.79 H new ATOM 0 HE ARG A 242 0.476 11.465 -2.663 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.480 11.299 -4.511 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.921 12.440 -5.739 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.208 12.973 -4.206 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.841 13.383 -5.566 1.00 2.05 H new ATOM 351 N VAL A 243 3.383 6.975 0.013 1.00 0.10 N ATOM 352 CA VAL A 243 4.317 6.840 1.092 1.00 0.14 C ATOM 353 C VAL A 243 5.026 8.155 1.347 1.00 0.11 C ATOM 354 O VAL A 243 5.681 8.703 0.462 1.00 0.15 O ATOM 355 CB VAL A 243 5.330 5.725 0.802 1.00 0.20 C ATOM 356 CG1 VAL A 243 6.006 5.911 -0.548 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.351 5.654 1.914 1.00 0.32 C ATOM 0 H VAL A 243 3.696 6.578 -0.873 1.00 0.10 H new ATOM 0 HA VAL A 243 3.763 6.567 1.990 1.00 0.14 H new ATOM 0 HB VAL A 243 4.788 4.780 0.758 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.716 5.100 -0.714 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.253 5.902 -1.336 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.534 6.864 -0.562 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.067 4.860 1.701 1.00 0.32 H new ATOM 0 HG22 VAL A 243 6.876 6.606 1.987 1.00 0.32 H new ATOM 0 HG23 VAL A 243 5.847 5.445 2.858 1.00 0.32 H new ATOM 367 N ILE A 244 4.876 8.678 2.549 1.00 0.13 N ATOM 368 CA ILE A 244 5.528 9.923 2.879 1.00 0.15 C ATOM 369 C ILE A 244 6.817 9.668 3.642 1.00 0.14 C ATOM 370 O ILE A 244 7.575 10.592 3.874 1.00 0.20 O ATOM 371 CB ILE A 244 4.642 10.908 3.683 1.00 0.25 C ATOM 372 CG1 ILE A 244 4.252 10.341 5.058 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.406 11.282 2.878 1.00 0.32 C ATOM 374 CD1 ILE A 244 3.115 9.347 5.024 1.00 0.76 C ATOM 0 H ILE A 244 4.319 8.267 3.298 1.00 0.13 H new ATOM 0 HA ILE A 244 5.739 10.400 1.922 1.00 0.15 H new ATOM 0 HB ILE A 244 5.229 11.808 3.865 1.00 0.25 H new ATOM 0 HG12 ILE A 244 5.125 9.861 5.500 1.00 0.37 H new ATOM 0 HG13 ILE A 244 3.976 11.167 5.713 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.792 11.974 3.454 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.709 11.756 1.945 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.830 10.383 2.658 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.906 8.998 6.035 1.00 0.76 H new ATOM 0 HD12 ILE A 244 2.226 9.825 4.614 1.00 0.76 H new ATOM 0 HD13 ILE A 244 3.392 8.499 4.398 1.00 0.76 H new ATOM 386 N GLN A 245 7.042 8.413 4.052 1.00 0.12 N ATOM 387 CA GLN A 245 8.317 8.012 4.658 1.00 0.14 C ATOM 388 C GLN A 245 8.582 6.532 4.439 1.00 0.14 C ATOM 389 O GLN A 245 7.925 5.680 5.032 1.00 0.17 O ATOM 390 CB GLN A 245 8.352 8.312 6.160 1.00 0.21 C ATOM 391 CG GLN A 245 8.286 9.789 6.466 1.00 0.33 C ATOM 392 CD GLN A 245 8.575 10.124 7.916 1.00 0.54 C ATOM 393 OE1 GLN A 245 8.046 11.100 8.451 1.00 1.19 O ATOM 394 NE2 GLN A 245 9.420 9.338 8.563 1.00 1.06 N ATOM 0 H GLN A 245 6.359 7.660 3.975 1.00 0.12 H new ATOM 0 HA GLN A 245 9.095 8.597 4.168 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.516 7.808 6.646 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.266 7.898 6.587 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.000 10.315 5.832 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.295 10.161 6.207 1.00 0.33 H new ATOM 0 HE21 GLN A 245 9.839 8.539 8.088 1.00 1.06 H new ATOM 0 HE22 GLN A 245 9.653 9.531 9.537 1.00 1.06 H new ATOM 403 N LYS A 246 9.498 6.233 3.536 1.00 0.15 N ATOM 404 CA LYS A 246 9.957 4.868 3.334 1.00 0.16 C ATOM 405 C LYS A 246 11.466 4.826 3.179 1.00 0.22 C ATOM 406 O LYS A 246 12.116 5.862 3.034 1.00 0.29 O ATOM 407 CB LYS A 246 9.304 4.218 2.120 1.00 0.18 C ATOM 408 CG LYS A 246 8.778 2.819 2.404 1.00 0.20 C ATOM 409 CD LYS A 246 7.491 2.871 3.222 1.00 0.29 C ATOM 410 CE LYS A 246 6.455 1.891 2.709 1.00 0.28 C ATOM 411 NZ LYS A 246 5.826 2.349 1.439 1.00 0.36 N ATOM 0 H LYS A 246 9.942 6.920 2.927 1.00 0.15 H new ATOM 0 HA LYS A 246 9.665 4.303 4.220 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.482 4.846 1.777 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.029 4.169 1.307 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.594 2.299 1.464 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.532 2.246 2.943 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.715 2.649 4.265 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.082 3.881 3.191 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.924 0.920 2.550 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.683 1.753 3.466 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 4.828 2.585 1.611 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.325 3.191 1.088 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 5.885 1.591 0.729 1.00 0.36 H new ATOM 425 N ARG A 247 12.001 3.623 3.224 1.00 0.27 N ATOM 426 CA ARG A 247 13.379 3.374 2.848 1.00 0.37 C ATOM 427 C ARG A 247 13.344 2.935 1.397 1.00 0.27 C ATOM 428 O ARG A 247 12.287 2.515 0.938 1.00 0.21 O ATOM 429 CB ARG A 247 13.990 2.269 3.725 1.00 0.55 C ATOM 430 CG ARG A 247 15.341 1.774 3.232 1.00 0.69 C ATOM 431 CD ARG A 247 15.769 0.497 3.934 1.00 0.72 C ATOM 432 NE ARG A 247 16.965 -0.075 3.317 1.00 1.24 N ATOM 433 CZ ARG A 247 17.173 -1.384 3.153 1.00 1.29 C ATOM 434 NH1 ARG A 247 16.296 -2.272 3.616 1.00 1.33 N ATOM 435 NH2 ARG A 247 18.265 -1.807 2.533 1.00 2.10 N ATOM 0 H ARG A 247 11.493 2.790 3.522 1.00 0.27 H new ATOM 0 HA ARG A 247 13.992 4.265 2.983 1.00 0.37 H new ATOM 0 HB2 ARG A 247 14.100 2.644 4.743 1.00 0.55 H new ATOM 0 HB3 ARG A 247 13.298 1.428 3.768 1.00 0.55 H new ATOM 0 HG2 ARG A 247 15.293 1.598 2.157 1.00 0.69 H new ATOM 0 HG3 ARG A 247 16.092 2.547 3.395 1.00 0.69 H new ATOM 0 HD2 ARG A 247 15.965 0.706 4.986 1.00 0.72 H new ATOM 0 HD3 ARG A 247 14.957 -0.229 3.899 1.00 0.72 H new ATOM 0 HE ARG A 247 17.687 0.567 2.991 1.00 1.24 H new ATOM 0 HH11 ARG A 247 15.457 -1.955 4.101 1.00 1.33 H new ATOM 0 HH12 ARG A 247 16.463 -3.270 3.486 1.00 1.33 H new ATOM 0 HH21 ARG A 247 18.945 -1.133 2.182 1.00 2.10 H new ATOM 0 HH22 ARG A 247 18.425 -2.806 2.407 1.00 2.10 H new ATOM 449 N VAL A 248 14.447 3.041 0.667 1.00 0.32 N ATOM 450 CA VAL A 248 14.480 2.518 -0.686 1.00 0.31 C ATOM 451 C VAL A 248 15.201 1.153 -0.720 1.00 0.26 C ATOM 452 O VAL A 248 16.420 1.052 -0.844 1.00 0.30 O ATOM 453 CB VAL A 248 15.109 3.545 -1.666 1.00 0.45 C ATOM 454 CG1 VAL A 248 16.564 3.850 -1.335 1.00 1.12 C ATOM 455 CG2 VAL A 248 14.959 3.086 -3.106 1.00 1.18 C ATOM 0 H VAL A 248 15.313 3.476 0.984 1.00 0.32 H new ATOM 0 HA VAL A 248 13.457 2.352 -1.023 1.00 0.31 H new ATOM 0 HB VAL A 248 14.558 4.477 -1.544 1.00 0.45 H new ATOM 0 HG11 VAL A 248 16.956 4.573 -2.050 1.00 1.12 H new ATOM 0 HG12 VAL A 248 16.629 4.263 -0.328 1.00 1.12 H new ATOM 0 HG13 VAL A 248 17.150 2.932 -1.389 1.00 1.12 H new ATOM 0 HG21 VAL A 248 15.408 3.823 -3.772 1.00 1.18 H new ATOM 0 HG22 VAL A 248 15.460 2.127 -3.236 1.00 1.18 H new ATOM 0 HG23 VAL A 248 13.901 2.978 -3.345 1.00 1.18 H new ATOM 465 N PRO A 249 14.418 0.083 -0.535 1.00 0.20 N ATOM 466 CA PRO A 249 14.856 -1.299 -0.516 1.00 0.20 C ATOM 467 C PRO A 249 14.526 -2.031 -1.807 1.00 0.27 C ATOM 468 O PRO A 249 13.882 -1.478 -2.689 1.00 0.34 O ATOM 469 CB PRO A 249 14.035 -1.862 0.653 1.00 0.21 C ATOM 470 CG PRO A 249 12.859 -0.926 0.811 1.00 0.23 C ATOM 471 CD PRO A 249 12.997 0.119 -0.262 1.00 0.22 C ATOM 0 HA PRO A 249 15.936 -1.407 -0.413 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.702 -2.879 0.444 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.629 -1.903 1.566 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.917 -1.465 0.708 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.858 -0.468 1.800 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.405 -0.122 -1.145 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.672 1.101 0.081 1.00 0.22 H new ATOM 479 N ASN A 250 15.013 -3.250 -1.946 1.00 0.31 N ATOM 480 CA ASN A 250 14.658 -4.052 -3.093 1.00 0.39 C ATOM 481 C ASN A 250 13.714 -5.180 -2.734 1.00 0.36 C ATOM 482 O ASN A 250 13.515 -5.518 -1.568 1.00 0.35 O ATOM 483 CB ASN A 250 15.886 -4.628 -3.790 1.00 0.51 C ATOM 484 CG ASN A 250 16.683 -5.601 -2.935 1.00 1.13 C ATOM 485 OD1 ASN A 250 16.669 -5.536 -1.707 1.00 1.97 O ATOM 486 ND2 ASN A 250 17.398 -6.502 -3.587 1.00 1.56 N ATOM 0 H ASN A 250 15.648 -3.699 -1.286 1.00 0.31 H new ATOM 0 HA ASN A 250 14.148 -3.375 -3.778 1.00 0.39 H new ATOM 0 HB2 ASN A 250 15.569 -5.136 -4.701 1.00 0.51 H new ATOM 0 HB3 ASN A 250 16.537 -3.808 -4.092 1.00 0.51 H new ATOM 0 HD21 ASN A 250 17.964 -7.175 -3.070 1.00 1.56 H new ATOM 0 HD22 ASN A 250 17.384 -6.524 -4.607 1.00 1.56 H new ATOM 493 N ALA A 251 13.166 -5.761 -3.780 1.00 0.43 N ATOM 494 CA ALA A 251 12.230 -6.874 -3.700 1.00 0.48 C ATOM 495 C ALA A 251 12.855 -8.132 -3.094 1.00 0.53 C ATOM 496 O ALA A 251 12.148 -9.096 -2.798 1.00 0.60 O ATOM 497 CB ALA A 251 11.704 -7.178 -5.090 1.00 0.59 C ATOM 0 H ALA A 251 13.361 -5.468 -4.737 1.00 0.43 H new ATOM 0 HA ALA A 251 11.418 -6.576 -3.037 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.002 -8.010 -5.039 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.196 -6.299 -5.487 1.00 0.59 H new ATOM 0 HB3 ALA A 251 12.535 -7.443 -5.744 1.00 0.59 H new ATOM 503 N TYR A 252 14.170 -8.145 -2.940 1.00 0.54 N ATOM 504 CA TYR A 252 14.844 -9.285 -2.336 1.00 0.65 C ATOM 505 C TYR A 252 15.009 -9.081 -0.835 1.00 0.60 C ATOM 506 O TYR A 252 15.370 -10.006 -0.105 1.00 0.69 O ATOM 507 CB TYR A 252 16.192 -9.541 -3.005 1.00 0.77 C ATOM 508 CG TYR A 252 16.066 -9.966 -4.451 1.00 1.63 C ATOM 509 CD1 TYR A 252 15.673 -11.258 -4.782 1.00 1.89 C ATOM 510 CD2 TYR A 252 16.321 -9.075 -5.485 1.00 2.46 C ATOM 511 CE1 TYR A 252 15.542 -11.649 -6.101 1.00 2.83 C ATOM 512 CE2 TYR A 252 16.188 -9.458 -6.805 1.00 3.46 C ATOM 513 CZ TYR A 252 15.801 -10.746 -7.109 1.00 3.61 C ATOM 514 OH TYR A 252 15.658 -11.127 -8.424 1.00 4.61 O ATOM 0 H TYR A 252 14.789 -7.385 -3.223 1.00 0.54 H new ATOM 0 HA TYR A 252 14.222 -10.167 -2.491 1.00 0.65 H new ATOM 0 HB2 TYR A 252 16.796 -8.635 -2.950 1.00 0.77 H new ATOM 0 HB3 TYR A 252 16.725 -10.313 -2.451 1.00 0.77 H new ATOM 0 HD1 TYR A 252 15.467 -11.968 -3.995 1.00 1.89 H new ATOM 0 HD2 TYR A 252 16.628 -8.066 -5.253 1.00 2.46 H new ATOM 0 HE1 TYR A 252 15.238 -12.657 -6.341 1.00 2.83 H new ATOM 0 HE2 TYR A 252 16.386 -8.751 -7.597 1.00 3.46 H new ATOM 0 HH TYR A 252 15.878 -10.372 -9.009 1.00 4.61 H new ATOM 524 N ASP A 253 14.750 -7.861 -0.387 1.00 0.50 N ATOM 525 CA ASP A 253 14.695 -7.548 1.032 1.00 0.51 C ATOM 526 C ASP A 253 13.346 -7.986 1.549 1.00 0.48 C ATOM 527 O ASP A 253 12.413 -7.188 1.617 1.00 0.43 O ATOM 528 CB ASP A 253 14.871 -6.042 1.225 1.00 0.49 C ATOM 529 CG ASP A 253 14.990 -5.614 2.678 1.00 0.79 C ATOM 530 OD1 ASP A 253 13.959 -5.342 3.319 1.00 1.32 O ATOM 531 OD2 ASP A 253 16.130 -5.517 3.182 1.00 0.85 O ATOM 0 H ASP A 253 14.573 -7.062 -0.996 1.00 0.50 H new ATOM 0 HA ASP A 253 15.488 -8.062 1.575 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.763 -5.719 0.688 1.00 0.49 H new ATOM 0 HB3 ASP A 253 14.023 -5.527 0.774 1.00 0.49 H new ATOM 536 N LYS A 254 13.241 -9.261 1.912 1.00 0.55 N ATOM 537 CA LYS A 254 11.951 -9.906 2.009 1.00 0.55 C ATOM 538 C LYS A 254 11.290 -9.782 0.653 1.00 0.49 C ATOM 539 O LYS A 254 11.512 -10.611 -0.231 1.00 0.54 O ATOM 540 CB LYS A 254 11.087 -9.296 3.122 1.00 0.57 C ATOM 541 CG LYS A 254 11.540 -9.696 4.516 1.00 0.73 C ATOM 542 CD LYS A 254 11.700 -8.497 5.438 1.00 1.32 C ATOM 543 CE LYS A 254 12.755 -7.529 4.927 1.00 1.62 C ATOM 544 NZ LYS A 254 13.045 -6.451 5.910 1.00 2.40 N ATOM 0 H LYS A 254 14.035 -9.859 2.141 1.00 0.55 H new ATOM 0 HA LYS A 254 12.072 -10.955 2.279 1.00 0.55 H new ATOM 0 HB2 LYS A 254 11.110 -8.210 3.037 1.00 0.57 H new ATOM 0 HB3 LYS A 254 10.051 -9.605 2.980 1.00 0.57 H new ATOM 0 HG2 LYS A 254 10.816 -10.388 4.946 1.00 0.73 H new ATOM 0 HG3 LYS A 254 12.489 -10.228 4.448 1.00 0.73 H new ATOM 0 HD2 LYS A 254 10.745 -7.979 5.530 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.974 -8.840 6.436 1.00 1.32 H new ATOM 0 HE2 LYS A 254 13.672 -8.075 4.707 1.00 1.62 H new ATOM 0 HE3 LYS A 254 12.416 -7.085 3.991 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 13.505 -5.654 5.425 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 12.156 -6.127 6.343 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 13.677 -6.817 6.650 1.00 2.40 H new ATOM 558 N THR A 255 10.500 -8.741 0.486 1.00 0.42 N ATOM 559 CA THR A 255 9.985 -8.382 -0.821 1.00 0.39 C ATOM 560 C THR A 255 9.995 -6.871 -1.030 1.00 0.31 C ATOM 561 O THR A 255 9.550 -6.398 -2.055 1.00 0.32 O ATOM 562 CB THR A 255 8.565 -8.939 -1.040 1.00 0.47 C ATOM 563 OG1 THR A 255 7.717 -8.579 0.061 1.00 0.49 O ATOM 564 CG2 THR A 255 8.599 -10.452 -1.188 1.00 0.60 C ATOM 0 H THR A 255 10.199 -8.126 1.242 1.00 0.42 H new ATOM 0 HA THR A 255 10.648 -8.834 -1.558 1.00 0.39 H new ATOM 0 HB THR A 255 8.166 -8.506 -1.957 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.793 -8.488 -0.254 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.587 -10.825 -1.342 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.218 -10.720 -2.044 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.016 -10.897 -0.285 1.00 0.60 H new ATOM 572 N ALA A 256 10.595 -6.163 -0.079 1.00 0.26 N ATOM 573 CA ALA A 256 10.371 -4.726 0.179 1.00 0.21 C ATOM 574 C ALA A 256 10.115 -3.815 -1.034 1.00 0.17 C ATOM 575 O ALA A 256 10.811 -3.866 -2.049 1.00 0.21 O ATOM 576 CB ALA A 256 11.535 -4.186 0.979 1.00 0.23 C ATOM 0 H ALA A 256 11.274 -6.577 0.559 1.00 0.26 H new ATOM 0 HA ALA A 256 9.426 -4.696 0.722 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.380 -3.125 1.176 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.607 -4.723 1.925 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.458 -4.320 0.414 1.00 0.23 H new ATOM 582 N LEU A 257 9.100 -2.947 -0.862 1.00 0.14 N ATOM 583 CA LEU A 257 8.764 -1.883 -1.817 1.00 0.14 C ATOM 584 C LEU A 257 9.888 -0.878 -1.955 1.00 0.13 C ATOM 585 O LEU A 257 10.256 -0.234 -0.978 1.00 0.15 O ATOM 586 CB LEU A 257 7.537 -1.081 -1.348 1.00 0.15 C ATOM 587 CG LEU A 257 6.176 -1.566 -1.808 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.227 -2.027 -3.253 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.673 -2.646 -0.886 1.00 0.21 C ATOM 0 H LEU A 257 8.487 -2.968 -0.047 1.00 0.14 H new ATOM 0 HA LEU A 257 8.573 -2.388 -2.764 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.540 -1.066 -0.258 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.659 -0.051 -1.682 1.00 0.15 H new ATOM 0 HG LEU A 257 5.470 -0.737 -1.765 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.239 -2.370 -3.560 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.537 -1.198 -3.889 1.00 0.21 H new ATOM 0 HD13 LEU A 257 6.941 -2.845 -3.349 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.695 -2.987 -1.225 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.371 -3.483 -0.891 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.588 -2.250 0.126 1.00 0.21 H new ATOM 601 N ALA A 258 10.386 -0.695 -3.165 1.00 0.14 N ATOM 602 CA ALA A 258 11.375 0.342 -3.410 1.00 0.16 C ATOM 603 C ALA A 258 10.694 1.683 -3.664 1.00 0.17 C ATOM 604 O ALA A 258 10.245 1.958 -4.781 1.00 0.24 O ATOM 605 CB ALA A 258 12.243 -0.036 -4.596 1.00 0.22 C ATOM 0 H ALA A 258 10.126 -1.243 -3.985 1.00 0.14 H new ATOM 0 HA ALA A 258 12.005 0.436 -2.525 1.00 0.16 H new ATOM 0 HB1 ALA A 258 12.981 0.747 -4.771 1.00 0.22 H new ATOM 0 HB2 ALA A 258 12.754 -0.976 -4.388 1.00 0.22 H new ATOM 0 HB3 ALA A 258 11.618 -0.151 -5.482 1.00 0.22 H new ATOM 611 N LEU A 259 10.599 2.507 -2.623 1.00 0.13 N ATOM 612 CA LEU A 259 10.004 3.833 -2.743 1.00 0.15 C ATOM 613 C LEU A 259 10.487 4.731 -1.611 1.00 0.15 C ATOM 614 O LEU A 259 11.048 4.250 -0.637 1.00 0.18 O ATOM 615 CB LEU A 259 8.467 3.757 -2.792 1.00 0.20 C ATOM 616 CG LEU A 259 7.843 2.458 -2.267 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.090 2.309 -0.780 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.353 2.419 -2.568 1.00 0.55 C ATOM 0 H LEU A 259 10.928 2.278 -1.685 1.00 0.13 H new ATOM 0 HA LEU A 259 10.329 4.272 -3.686 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.063 4.590 -2.216 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.148 3.899 -3.825 1.00 0.20 H new ATOM 0 HG LEU A 259 8.318 1.621 -2.778 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.639 1.381 -0.427 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.163 2.286 -0.590 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.646 3.152 -0.251 1.00 0.66 H new ATOM 0 HD21 LEU A 259 5.929 1.490 -2.188 1.00 0.55 H new ATOM 0 HD22 LEU A 259 5.862 3.265 -2.087 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.198 2.474 -3.645 1.00 0.55 H new ATOM 630 N GLU A 260 10.256 6.025 -1.734 1.00 0.18 N ATOM 631 CA GLU A 260 10.777 6.993 -0.801 1.00 0.24 C ATOM 632 C GLU A 260 9.661 7.951 -0.415 1.00 0.20 C ATOM 633 O GLU A 260 8.496 7.725 -0.727 1.00 0.21 O ATOM 634 CB GLU A 260 11.973 7.739 -1.423 1.00 0.39 C ATOM 635 CG GLU A 260 11.620 9.028 -2.161 1.00 0.52 C ATOM 636 CD GLU A 260 12.735 9.502 -3.072 1.00 0.96 C ATOM 637 OE1 GLU A 260 12.834 8.999 -4.209 1.00 1.27 O ATOM 638 OE2 GLU A 260 13.529 10.370 -2.650 1.00 1.74 O ATOM 0 H GLU A 260 9.700 6.430 -2.487 1.00 0.18 H new ATOM 0 HA GLU A 260 11.137 6.493 0.098 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.685 7.975 -0.632 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.478 7.068 -2.117 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.717 8.869 -2.750 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.393 9.808 -1.434 1.00 0.52 H new ATOM 645 N VAL A 261 10.011 8.967 0.319 1.00 0.33 N ATOM 646 CA VAL A 261 9.088 10.021 0.678 1.00 0.32 C ATOM 647 C VAL A 261 8.502 10.732 -0.540 1.00 0.22 C ATOM 648 O VAL A 261 9.231 11.287 -1.363 1.00 0.28 O ATOM 649 CB VAL A 261 9.832 11.019 1.549 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.963 12.209 1.892 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.321 10.269 2.757 1.00 0.93 C ATOM 0 H VAL A 261 10.952 9.095 0.692 1.00 0.33 H new ATOM 0 HA VAL A 261 8.248 9.577 1.211 1.00 0.32 H new ATOM 0 HB VAL A 261 10.685 11.445 1.021 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.526 12.903 2.516 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.657 12.712 0.975 1.00 0.92 H new ATOM 0 HG13 VAL A 261 8.079 11.870 2.433 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.863 10.950 3.413 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.470 9.849 3.293 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.984 9.464 2.441 1.00 0.93 H new ATOM 661 N GLY A 262 7.179 10.694 -0.656 1.00 0.17 N ATOM 662 CA GLY A 262 6.514 11.431 -1.694 1.00 0.20 C ATOM 663 C GLY A 262 6.072 10.530 -2.815 1.00 0.22 C ATOM 664 O GLY A 262 5.487 10.986 -3.803 1.00 0.31 O ATOM 0 H GLY A 262 6.561 10.162 -0.044 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.649 11.947 -1.278 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.184 12.197 -2.084 1.00 0.20 H new ATOM 668 N GLU A 263 6.348 9.245 -2.656 1.00 0.16 N ATOM 669 CA GLU A 263 6.130 8.284 -3.712 1.00 0.18 C ATOM 670 C GLU A 263 4.746 7.667 -3.603 1.00 0.15 C ATOM 671 O GLU A 263 4.035 7.894 -2.629 1.00 0.19 O ATOM 672 CB GLU A 263 7.199 7.214 -3.621 1.00 0.23 C ATOM 673 CG GLU A 263 8.601 7.793 -3.606 1.00 0.26 C ATOM 674 CD GLU A 263 9.077 8.187 -4.985 1.00 0.61 C ATOM 675 OE1 GLU A 263 9.614 7.312 -5.694 1.00 1.02 O ATOM 676 OE2 GLU A 263 8.907 9.359 -5.372 1.00 1.04 O ATOM 0 H GLU A 263 6.726 8.847 -1.796 1.00 0.16 H new ATOM 0 HA GLU A 263 6.191 8.785 -4.678 1.00 0.18 H new ATOM 0 HB2 GLU A 263 7.043 6.625 -2.717 1.00 0.23 H new ATOM 0 HB3 GLU A 263 7.100 6.533 -4.466 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.624 8.666 -2.954 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.289 7.061 -3.183 1.00 0.26 H new ATOM 683 N LEU A 264 4.373 6.885 -4.596 1.00 0.14 N ATOM 684 CA LEU A 264 3.072 6.246 -4.607 1.00 0.13 C ATOM 685 C LEU A 264 3.218 4.785 -4.957 1.00 0.15 C ATOM 686 O LEU A 264 4.206 4.374 -5.565 1.00 0.24 O ATOM 687 CB LEU A 264 2.148 6.939 -5.615 1.00 0.15 C ATOM 688 CG LEU A 264 0.666 6.576 -5.516 1.00 0.14 C ATOM 689 CD1 LEU A 264 0.017 7.320 -4.367 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.047 6.886 -6.823 1.00 0.18 C ATOM 0 H LEU A 264 4.954 6.676 -5.408 1.00 0.14 H new ATOM 0 HA LEU A 264 2.631 6.331 -3.614 1.00 0.13 H new ATOM 0 HB2 LEU A 264 2.248 8.017 -5.490 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.495 6.701 -6.621 1.00 0.15 H new ATOM 0 HG LEU A 264 0.583 5.506 -5.326 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.038 7.051 -4.309 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.512 7.051 -3.434 1.00 0.14 H new ATOM 0 HD13 LEU A 264 0.110 8.394 -4.530 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.101 6.621 -6.734 1.00 0.18 H new ATOM 0 HD22 LEU A 264 0.043 7.950 -7.043 1.00 0.18 H new ATOM 0 HD23 LEU A 264 0.405 6.309 -7.630 1.00 0.18 H new ATOM 702 N VAL A 265 2.236 4.004 -4.564 1.00 0.14 N ATOM 703 CA VAL A 265 2.253 2.589 -4.813 1.00 0.15 C ATOM 704 C VAL A 265 0.831 2.144 -5.074 1.00 0.15 C ATOM 705 O VAL A 265 -0.109 2.890 -4.810 1.00 0.27 O ATOM 706 CB VAL A 265 2.822 1.810 -3.595 1.00 0.20 C ATOM 707 CG1 VAL A 265 1.781 1.671 -2.507 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.332 0.444 -3.995 1.00 0.41 C ATOM 0 H VAL A 265 1.410 4.335 -4.066 1.00 0.14 H new ATOM 0 HA VAL A 265 2.893 2.382 -5.671 1.00 0.15 H new ATOM 0 HB VAL A 265 3.662 2.388 -3.210 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.205 1.122 -1.666 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.469 2.661 -2.174 1.00 0.40 H new ATOM 0 HG13 VAL A 265 0.918 1.130 -2.896 1.00 0.40 H new ATOM 0 HG21 VAL A 265 3.722 -0.070 -3.117 1.00 0.41 H new ATOM 0 HG22 VAL A 265 2.516 -0.138 -4.424 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.126 0.554 -4.733 1.00 0.41 H new ATOM 718 N LYS A 266 0.671 0.954 -5.590 1.00 0.13 N ATOM 719 CA LYS A 266 -0.629 0.343 -5.657 1.00 0.15 C ATOM 720 C LYS A 266 -0.591 -0.879 -4.770 1.00 0.13 C ATOM 721 O LYS A 266 -0.016 -1.901 -5.136 1.00 0.14 O ATOM 722 CB LYS A 266 -0.999 -0.021 -7.109 1.00 0.24 C ATOM 723 CG LYS A 266 -2.331 -0.745 -7.248 1.00 0.85 C ATOM 724 CD LYS A 266 -2.163 -2.244 -7.105 1.00 0.49 C ATOM 725 CE LYS A 266 -1.578 -2.859 -8.367 1.00 0.82 C ATOM 726 NZ LYS A 266 -1.367 -4.318 -8.223 1.00 1.32 N ATOM 0 H LYS A 266 1.428 0.387 -5.971 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.398 1.035 -5.314 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -1.030 0.891 -7.704 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.211 -0.648 -7.527 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -3.025 -0.381 -6.491 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -2.771 -0.518 -8.219 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.512 -2.460 -6.258 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -3.129 -2.701 -6.889 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -2.247 -2.670 -9.207 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -0.629 -2.376 -8.600 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -1.315 -4.756 -9.165 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -0.479 -4.491 -7.711 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -2.159 -4.733 -7.692 1.00 1.32 H new ATOM 740 N VAL A 267 -1.140 -0.762 -3.576 1.00 0.16 N ATOM 741 CA VAL A 267 -1.182 -1.890 -2.681 1.00 0.16 C ATOM 742 C VAL A 267 -2.158 -2.945 -3.207 1.00 0.17 C ATOM 743 O VAL A 267 -3.377 -2.779 -3.153 1.00 0.25 O ATOM 744 CB VAL A 267 -1.557 -1.470 -1.247 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.249 -2.566 -0.270 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.837 -0.198 -0.834 1.00 0.63 C ATOM 0 H VAL A 267 -1.557 0.094 -3.211 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.181 -2.320 -2.641 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.630 -1.277 -1.238 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.523 -2.245 0.735 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -1.817 -3.458 -0.533 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.183 -2.792 -0.301 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.125 0.069 0.183 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.240 -0.360 -0.876 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.109 0.611 -1.512 1.00 0.63 H new ATOM 756 N THR A 268 -1.585 -4.019 -3.727 1.00 0.15 N ATOM 757 CA THR A 268 -2.320 -5.117 -4.321 1.00 0.19 C ATOM 758 C THR A 268 -2.796 -6.094 -3.247 1.00 0.22 C ATOM 759 O THR A 268 -3.512 -7.057 -3.528 1.00 0.34 O ATOM 760 CB THR A 268 -1.413 -5.857 -5.336 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.071 -7.004 -5.883 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.097 -6.284 -4.687 1.00 0.29 C ATOM 0 H THR A 268 -0.574 -4.151 -3.747 1.00 0.15 H new ATOM 0 HA THR A 268 -3.194 -4.715 -4.833 1.00 0.19 H new ATOM 0 HB THR A 268 -1.200 -5.158 -6.144 1.00 0.24 H new ATOM 0 HG1 THR A 268 -2.745 -7.328 -5.249 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.520 -6.801 -5.422 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.432 -5.403 -4.324 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.304 -6.953 -3.852 1.00 0.29 H new ATOM 770 N LYS A 269 -2.409 -5.834 -2.010 1.00 0.18 N ATOM 771 CA LYS A 269 -2.650 -6.753 -0.930 1.00 0.20 C ATOM 772 C LYS A 269 -3.261 -5.992 0.214 1.00 0.22 C ATOM 773 O LYS A 269 -2.581 -5.242 0.866 1.00 0.35 O ATOM 774 CB LYS A 269 -1.314 -7.372 -0.527 1.00 0.23 C ATOM 775 CG LYS A 269 -1.400 -8.639 0.301 1.00 0.40 C ATOM 776 CD LYS A 269 -1.483 -9.888 -0.569 1.00 1.55 C ATOM 777 CE LYS A 269 -2.662 -9.852 -1.523 1.00 2.25 C ATOM 778 NZ LYS A 269 -2.811 -11.129 -2.269 1.00 2.84 N ATOM 0 H LYS A 269 -1.921 -4.981 -1.735 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.335 -7.548 -1.225 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.747 -7.589 -1.432 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.746 -6.631 0.035 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -0.527 -8.707 0.950 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -2.276 -8.590 0.948 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.560 -9.991 -1.140 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -1.563 -10.768 0.070 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -3.575 -9.650 -0.964 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -2.532 -9.032 -2.229 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -3.627 -11.063 -2.910 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -1.950 -11.310 -2.823 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -2.960 -11.908 -1.597 1.00 2.84 H new ATOM 792 N ILE A 270 -4.546 -6.147 0.436 1.00 0.33 N ATOM 793 CA ILE A 270 -5.219 -5.334 1.433 1.00 0.39 C ATOM 794 C ILE A 270 -5.285 -6.076 2.765 1.00 0.55 C ATOM 795 O ILE A 270 -5.138 -7.298 2.806 1.00 0.73 O ATOM 796 CB ILE A 270 -6.652 -4.957 1.012 1.00 0.56 C ATOM 797 CG1 ILE A 270 -6.825 -4.977 -0.514 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.982 -3.578 1.540 1.00 1.09 C ATOM 799 CD1 ILE A 270 -6.051 -3.899 -1.246 1.00 1.90 C ATOM 0 H ILE A 270 -5.142 -6.817 -0.050 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.636 -4.418 1.533 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.332 -5.698 1.433 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -6.512 -5.951 -0.890 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -7.884 -4.870 -0.749 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.996 -3.308 1.244 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.910 -3.578 2.628 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.279 -2.853 1.129 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -6.230 -3.986 -2.318 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -6.379 -2.918 -0.902 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -4.986 -4.016 -1.046 1.00 1.90 H new ATOM 811 N ASN A 271 -5.493 -5.337 3.848 1.00 0.60 N ATOM 812 CA ASN A 271 -5.662 -5.934 5.168 1.00 0.82 C ATOM 813 C ASN A 271 -6.468 -5.004 6.067 1.00 0.70 C ATOM 814 O ASN A 271 -7.046 -4.019 5.602 1.00 0.87 O ATOM 815 CB ASN A 271 -4.308 -6.235 5.808 1.00 1.17 C ATOM 816 CG ASN A 271 -3.555 -4.981 6.183 1.00 1.58 C ATOM 817 OD1 ASN A 271 -3.601 -4.512 7.324 1.00 2.28 O ATOM 818 ND2 ASN A 271 -2.886 -4.412 5.213 1.00 1.88 N ATOM 0 H ASN A 271 -5.549 -4.319 3.838 1.00 0.60 H new ATOM 0 HA ASN A 271 -6.203 -6.873 5.049 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -4.458 -6.845 6.699 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.705 -6.824 5.116 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.375 -3.546 5.385 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -2.875 -4.834 4.285 1.00 1.88 H new ATOM 825 N MET A 272 -6.478 -5.303 7.357 1.00 0.81 N ATOM 826 CA MET A 272 -7.344 -4.612 8.297 1.00 0.97 C ATOM 827 C MET A 272 -6.777 -3.270 8.763 1.00 1.02 C ATOM 828 O MET A 272 -7.505 -2.285 8.834 1.00 1.22 O ATOM 829 CB MET A 272 -7.619 -5.516 9.504 1.00 1.24 C ATOM 830 CG MET A 272 -6.385 -5.817 10.338 1.00 1.30 C ATOM 831 SD MET A 272 -6.678 -7.094 11.576 1.00 2.03 S ATOM 832 CE MET A 272 -5.085 -7.140 12.390 1.00 2.52 C ATOM 0 H MET A 272 -5.892 -6.024 7.778 1.00 0.81 H new ATOM 0 HA MET A 272 -8.273 -4.390 7.772 1.00 0.97 H new ATOM 0 HB2 MET A 272 -8.368 -5.042 10.138 1.00 1.24 H new ATOM 0 HB3 MET A 272 -8.047 -6.455 9.153 1.00 1.24 H new ATOM 0 HG2 MET A 272 -5.575 -6.133 9.680 1.00 1.30 H new ATOM 0 HG3 MET A 272 -6.055 -4.904 10.834 1.00 1.30 H new ATOM 0 HE1 MET A 272 -5.104 -7.885 13.185 1.00 2.52 H new ATOM 0 HE2 MET A 272 -4.314 -7.402 11.666 1.00 2.52 H new ATOM 0 HE3 MET A 272 -4.865 -6.161 12.816 1.00 2.52 H new ATOM 842 N SER A 273 -5.490 -3.223 9.055 1.00 0.93 N ATOM 843 CA SER A 273 -4.922 -2.077 9.761 1.00 1.02 C ATOM 844 C SER A 273 -4.144 -1.128 8.853 1.00 0.91 C ATOM 845 O SER A 273 -4.174 0.087 9.050 1.00 1.14 O ATOM 846 CB SER A 273 -4.009 -2.571 10.882 1.00 1.14 C ATOM 847 OG SER A 273 -4.686 -3.492 11.723 1.00 1.50 O ATOM 0 H SER A 273 -4.820 -3.955 8.819 1.00 0.93 H new ATOM 0 HA SER A 273 -5.761 -1.509 10.163 1.00 1.02 H new ATOM 0 HB2 SER A 273 -3.126 -3.046 10.454 1.00 1.14 H new ATOM 0 HB3 SER A 273 -3.661 -1.723 11.472 1.00 1.14 H new ATOM 0 HG SER A 273 -4.080 -3.795 12.431 1.00 1.50 H new ATOM 853 N GLY A 274 -3.460 -1.658 7.856 1.00 0.64 N ATOM 854 CA GLY A 274 -2.523 -0.835 7.122 1.00 0.61 C ATOM 855 C GLY A 274 -1.251 -1.576 6.793 1.00 0.49 C ATOM 856 O GLY A 274 -0.416 -1.074 6.058 1.00 0.57 O ATOM 0 H GLY A 274 -3.532 -2.626 7.544 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -2.990 -0.490 6.199 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.284 0.052 7.709 1.00 0.61 H new ATOM 860 N GLN A 275 -1.086 -2.777 7.317 1.00 0.41 N ATOM 861 CA GLN A 275 0.159 -3.489 7.105 1.00 0.40 C ATOM 862 C GLN A 275 -0.008 -4.424 5.924 1.00 0.32 C ATOM 863 O GLN A 275 -0.296 -5.610 6.086 1.00 0.41 O ATOM 864 CB GLN A 275 0.565 -4.256 8.366 1.00 0.56 C ATOM 865 CG GLN A 275 2.028 -4.665 8.384 1.00 0.69 C ATOM 866 CD GLN A 275 2.432 -5.290 9.702 1.00 0.76 C ATOM 867 OE1 GLN A 275 2.365 -6.504 9.875 1.00 1.36 O ATOM 868 NE2 GLN A 275 2.859 -4.459 10.642 1.00 0.81 N ATOM 0 H GLN A 275 -1.780 -3.270 7.879 1.00 0.41 H new ATOM 0 HA GLN A 275 0.957 -2.778 6.889 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.358 -3.638 9.240 1.00 0.56 H new ATOM 0 HB3 GLN A 275 -0.054 -5.149 8.454 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.215 -5.372 7.576 1.00 0.69 H new ATOM 0 HG3 GLN A 275 2.650 -3.791 8.193 1.00 0.69 H new ATOM 0 HE21 GLN A 275 2.899 -3.457 10.457 1.00 0.81 H new ATOM 0 HE22 GLN A 275 3.148 -4.822 11.551 1.00 0.81 H new ATOM 877 N TRP A 276 0.122 -3.862 4.733 1.00 0.22 N ATOM 878 CA TRP A 276 -0.162 -4.585 3.515 1.00 0.17 C ATOM 879 C TRP A 276 1.072 -4.773 2.654 1.00 0.15 C ATOM 880 O TRP A 276 2.178 -4.358 3.015 1.00 0.19 O ATOM 881 CB TRP A 276 -1.226 -3.867 2.693 1.00 0.18 C ATOM 882 CG TRP A 276 -1.424 -2.411 2.985 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.497 -1.414 2.898 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.659 -1.782 3.349 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.078 -0.208 3.211 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.404 -0.414 3.492 1.00 0.31 C ATOM 887 CE3 TRP A 276 -3.953 -2.253 3.580 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.400 0.491 3.853 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -4.939 -1.356 3.937 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.656 0.003 4.071 1.00 0.47 C ATOM 0 H TRP A 276 0.425 -2.899 4.589 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.524 -5.567 3.821 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -0.972 -3.972 1.638 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.177 -4.378 2.844 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.539 -1.552 2.624 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.600 0.693 3.231 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.179 -3.304 3.481 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.185 1.544 3.957 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -5.943 -1.711 4.115 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.446 0.683 4.353 1.00 0.47 H new ATOM 901 N GLU A 277 0.859 -5.376 1.491 1.00 0.12 N ATOM 902 CA GLU A 277 1.915 -5.614 0.547 1.00 0.12 C ATOM 903 C GLU A 277 1.726 -4.680 -0.626 1.00 0.11 C ATOM 904 O GLU A 277 0.641 -4.601 -1.166 1.00 0.12 O ATOM 905 CB GLU A 277 1.885 -7.046 0.027 1.00 0.14 C ATOM 906 CG GLU A 277 2.439 -8.105 0.971 1.00 0.19 C ATOM 907 CD GLU A 277 1.602 -8.370 2.207 1.00 1.21 C ATOM 908 OE1 GLU A 277 1.743 -7.643 3.209 1.00 2.07 O ATOM 909 OE2 GLU A 277 0.830 -9.352 2.195 1.00 1.55 O ATOM 0 H GLU A 277 -0.056 -5.710 1.187 1.00 0.12 H new ATOM 0 HA GLU A 277 2.869 -5.445 1.046 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.854 -7.304 -0.213 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.449 -7.086 -0.905 1.00 0.14 H new ATOM 0 HG2 GLU A 277 2.549 -9.039 0.419 1.00 0.19 H new ATOM 0 HG3 GLU A 277 3.437 -7.801 1.286 1.00 0.19 H new ATOM 916 N GLY A 278 2.772 -4.008 -1.037 1.00 0.13 N ATOM 917 CA GLY A 278 2.649 -3.040 -2.108 1.00 0.12 C ATOM 918 C GLY A 278 3.115 -3.593 -3.418 1.00 0.12 C ATOM 919 O GLY A 278 3.806 -4.607 -3.465 1.00 0.15 O ATOM 0 H GLY A 278 3.712 -4.109 -0.653 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.609 -2.727 -2.196 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.230 -2.151 -1.862 1.00 0.12 H new ATOM 923 N GLU A 279 2.722 -2.934 -4.479 1.00 0.11 N ATOM 924 CA GLU A 279 3.269 -3.205 -5.780 1.00 0.14 C ATOM 925 C GLU A 279 3.433 -1.872 -6.497 1.00 0.17 C ATOM 926 O GLU A 279 2.463 -1.141 -6.700 1.00 0.20 O ATOM 927 CB GLU A 279 2.354 -4.163 -6.554 1.00 0.20 C ATOM 928 CG GLU A 279 2.935 -4.675 -7.865 1.00 0.31 C ATOM 929 CD GLU A 279 2.731 -3.711 -9.014 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.581 -3.593 -9.488 1.00 1.27 O ATOM 931 OE2 GLU A 279 3.709 -3.059 -9.439 1.00 2.07 O ATOM 0 H GLU A 279 2.016 -2.198 -4.463 1.00 0.11 H new ATOM 0 HA GLU A 279 4.239 -3.696 -5.702 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.122 -5.016 -5.917 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.412 -3.655 -6.763 1.00 0.20 H new ATOM 0 HG2 GLU A 279 4.002 -4.860 -7.737 1.00 0.31 H new ATOM 0 HG3 GLU A 279 2.474 -5.631 -8.113 1.00 0.31 H new ATOM 938 N CYS A 280 4.660 -1.546 -6.847 1.00 0.20 N ATOM 939 CA CYS A 280 4.951 -0.275 -7.479 1.00 0.27 C ATOM 940 C CYS A 280 5.688 -0.470 -8.784 1.00 0.29 C ATOM 941 O CYS A 280 6.912 -0.586 -8.797 1.00 0.33 O ATOM 942 CB CYS A 280 5.793 0.604 -6.544 1.00 0.39 C ATOM 943 SG CYS A 280 6.270 2.200 -7.249 1.00 0.51 S ATOM 0 H CYS A 280 5.474 -2.145 -6.704 1.00 0.20 H new ATOM 0 HA CYS A 280 4.001 0.218 -7.686 1.00 0.27 H new ATOM 0 HB2 CYS A 280 5.232 0.779 -5.626 1.00 0.39 H new ATOM 0 HB3 CYS A 280 6.695 0.059 -6.267 1.00 0.39 H new ATOM 0 HG CYS A 280 5.577 3.146 -6.689 1.00 0.51 H new ATOM 949 N ASN A 281 4.929 -0.498 -9.875 1.00 0.37 N ATOM 950 CA ASN A 281 5.494 -0.579 -11.218 1.00 0.49 C ATOM 951 C ASN A 281 6.535 -1.690 -11.304 1.00 0.45 C ATOM 952 O ASN A 281 7.588 -1.540 -11.934 1.00 0.53 O ATOM 953 CB ASN A 281 6.092 0.770 -11.625 1.00 0.63 C ATOM 954 CG ASN A 281 5.034 1.799 -12.010 1.00 0.80 C ATOM 955 OD1 ASN A 281 5.294 2.683 -12.829 1.00 1.44 O ATOM 956 ND2 ASN A 281 3.839 1.698 -11.434 1.00 0.97 N ATOM 0 H ASN A 281 3.910 -0.465 -9.854 1.00 0.37 H new ATOM 0 HA ASN A 281 4.693 -0.822 -11.916 1.00 0.49 H new ATOM 0 HB2 ASN A 281 6.688 1.161 -10.800 1.00 0.63 H new ATOM 0 HB3 ASN A 281 6.770 0.622 -12.466 1.00 0.63 H new ATOM 0 HD21 ASN A 281 3.103 2.365 -11.666 1.00 0.97 H new ATOM 0 HD22 ASN A 281 3.659 0.954 -10.760 1.00 0.97 H new ATOM 963 N GLY A 282 6.214 -2.810 -10.669 1.00 0.37 N ATOM 964 CA GLY A 282 7.068 -3.968 -10.711 1.00 0.39 C ATOM 965 C GLY A 282 7.842 -4.201 -9.433 1.00 0.34 C ATOM 966 O GLY A 282 8.554 -5.198 -9.308 1.00 0.46 O ATOM 0 H GLY A 282 5.363 -2.931 -10.120 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.461 -4.848 -10.923 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.772 -3.860 -11.536 1.00 0.39 H new ATOM 970 N LYS A 283 7.724 -3.291 -8.482 1.00 0.25 N ATOM 971 CA LYS A 283 8.220 -3.550 -7.146 1.00 0.23 C ATOM 972 C LYS A 283 7.099 -4.121 -6.298 1.00 0.14 C ATOM 973 O LYS A 283 5.951 -3.733 -6.437 1.00 0.17 O ATOM 974 CB LYS A 283 8.778 -2.281 -6.501 1.00 0.33 C ATOM 975 CG LYS A 283 9.863 -1.620 -7.319 1.00 0.74 C ATOM 976 CD LYS A 283 9.617 -0.131 -7.432 1.00 0.61 C ATOM 977 CE LYS A 283 10.807 0.586 -8.035 1.00 1.28 C ATOM 978 NZ LYS A 283 10.550 2.038 -8.210 1.00 1.93 N ATOM 0 H LYS A 283 7.293 -2.375 -8.610 1.00 0.25 H new ATOM 0 HA LYS A 283 9.036 -4.270 -7.213 1.00 0.23 H new ATOM 0 HB2 LYS A 283 7.965 -1.572 -6.349 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.175 -2.527 -5.516 1.00 0.33 H new ATOM 0 HG2 LYS A 283 10.834 -1.799 -6.857 1.00 0.74 H new ATOM 0 HG3 LYS A 283 9.897 -2.064 -8.314 1.00 0.74 H new ATOM 0 HD2 LYS A 283 8.734 0.047 -8.046 1.00 0.61 H new ATOM 0 HD3 LYS A 283 9.406 0.280 -6.445 1.00 0.61 H new ATOM 0 HE2 LYS A 283 11.678 0.446 -7.394 1.00 1.28 H new ATOM 0 HE3 LYS A 283 11.047 0.141 -9.001 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 11.389 2.491 -8.625 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 9.735 2.173 -8.842 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 10.346 2.468 -7.285 1.00 1.93 H new ATOM 992 N ARG A 284 7.443 -5.049 -5.444 1.00 0.16 N ATOM 993 CA ARG A 284 6.507 -5.657 -4.523 1.00 0.12 C ATOM 994 C ARG A 284 7.020 -5.357 -3.124 1.00 0.13 C ATOM 995 O ARG A 284 8.030 -4.683 -3.004 1.00 0.20 O ATOM 996 CB ARG A 284 6.423 -7.170 -4.791 1.00 0.18 C ATOM 997 CG ARG A 284 5.518 -7.956 -3.844 1.00 0.21 C ATOM 998 CD ARG A 284 4.046 -7.674 -4.076 1.00 0.26 C ATOM 999 NE ARG A 284 3.198 -8.523 -3.239 1.00 0.41 N ATOM 1000 CZ ARG A 284 2.084 -9.118 -3.664 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.719 -9.017 -4.937 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.354 -9.848 -2.828 1.00 0.67 N ATOM 0 H ARG A 284 8.393 -5.412 -5.364 1.00 0.16 H new ATOM 0 HA ARG A 284 5.499 -5.260 -4.642 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.071 -7.322 -5.811 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.428 -7.588 -4.735 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.704 -9.022 -3.971 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.774 -7.708 -2.814 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.837 -6.626 -3.862 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.804 -7.839 -5.126 1.00 0.26 H new ATOM 0 HE ARG A 284 3.477 -8.669 -2.269 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.292 -8.483 -5.591 1.00 0.57 H new ATOM 0 HH12 ARG A 284 0.866 -9.473 -5.261 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.645 -9.955 -1.856 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.502 -10.302 -3.158 1.00 0.67 H new ATOM 1016 N GLY A 285 6.295 -5.731 -2.082 1.00 0.14 N ATOM 1017 CA GLY A 285 6.876 -5.718 -0.755 1.00 0.18 C ATOM 1018 C GLY A 285 5.815 -5.713 0.300 1.00 0.14 C ATOM 1019 O GLY A 285 4.674 -6.013 0.007 1.00 0.15 O ATOM 0 H GLY A 285 5.324 -6.041 -2.129 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.516 -6.591 -0.627 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.510 -4.839 -0.641 1.00 0.18 H new ATOM 1023 N HIS A 286 6.180 -5.372 1.521 1.00 0.15 N ATOM 1024 CA HIS A 286 5.211 -5.278 2.600 1.00 0.13 C ATOM 1025 C HIS A 286 5.664 -4.246 3.626 1.00 0.15 C ATOM 1026 O HIS A 286 6.777 -4.316 4.143 1.00 0.20 O ATOM 1027 CB HIS A 286 4.960 -6.656 3.243 1.00 0.18 C ATOM 1028 CG HIS A 286 6.171 -7.331 3.841 1.00 0.26 C ATOM 1029 ND1 HIS A 286 6.088 -8.409 4.697 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.492 -7.094 3.677 1.00 0.67 C ATOM 1031 CE1 HIS A 286 7.307 -8.798 5.031 1.00 0.65 C ATOM 1032 NE2 HIS A 286 8.179 -8.014 4.429 1.00 0.52 N ATOM 0 H HIS A 286 7.139 -5.155 1.792 1.00 0.15 H new ATOM 0 HA HIS A 286 4.259 -4.943 2.187 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.209 -6.540 4.024 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.535 -7.317 2.487 1.00 0.18 H new ATOM 0 HD1 HIS A 286 5.222 -8.839 5.022 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.929 -6.319 3.064 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.548 -9.621 5.688 1.00 0.65 H new ATOM 1041 N PHE A 287 4.804 -3.276 3.884 1.00 0.14 N ATOM 1042 CA PHE A 287 5.136 -2.154 4.757 1.00 0.17 C ATOM 1043 C PHE A 287 3.884 -1.610 5.434 1.00 0.20 C ATOM 1044 O PHE A 287 2.847 -1.455 4.789 1.00 0.29 O ATOM 1045 CB PHE A 287 5.812 -1.030 3.957 1.00 0.20 C ATOM 1046 CG PHE A 287 7.251 -1.283 3.613 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.207 -1.398 4.611 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.649 -1.385 2.293 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.533 -1.614 4.293 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.973 -1.595 1.970 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.917 -1.712 2.971 1.00 0.30 C ATOM 0 H PHE A 287 3.860 -3.240 3.499 1.00 0.14 H new ATOM 0 HA PHE A 287 5.825 -2.516 5.520 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.254 -0.873 3.034 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.747 -0.105 4.530 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.911 -1.318 5.647 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.915 -1.299 1.506 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.269 -1.706 5.078 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.272 -1.668 0.935 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.954 -1.880 2.720 1.00 0.30 H new ATOM 1061 N PRO A 288 3.963 -1.313 6.744 1.00 0.22 N ATOM 1062 CA PRO A 288 2.846 -0.724 7.490 1.00 0.26 C ATOM 1063 C PRO A 288 2.491 0.673 6.984 1.00 0.24 C ATOM 1064 O PRO A 288 3.362 1.528 6.789 1.00 0.28 O ATOM 1065 CB PRO A 288 3.353 -0.673 8.934 1.00 0.33 C ATOM 1066 CG PRO A 288 4.838 -0.737 8.832 1.00 0.54 C ATOM 1067 CD PRO A 288 5.140 -1.544 7.600 1.00 0.32 C ATOM 0 HA PRO A 288 1.930 -1.305 7.380 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.032 0.242 9.431 1.00 0.33 H new ATOM 0 HB3 PRO A 288 2.963 -1.507 9.518 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.266 0.263 8.757 1.00 0.54 H new ATOM 0 HG3 PRO A 288 5.269 -1.203 9.718 1.00 0.54 H new ATOM 0 HD2 PRO A 288 6.059 -1.212 7.117 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.266 -2.601 7.833 1.00 0.32 H new ATOM 1075 N PHE A 289 1.203 0.890 6.769 1.00 0.31 N ATOM 1076 CA PHE A 289 0.701 2.129 6.198 1.00 0.37 C ATOM 1077 C PHE A 289 0.714 3.277 7.211 1.00 0.33 C ATOM 1078 O PHE A 289 0.332 4.402 6.901 1.00 0.39 O ATOM 1079 CB PHE A 289 -0.666 1.875 5.547 1.00 0.60 C ATOM 1080 CG PHE A 289 -1.867 2.576 6.113 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.184 2.533 7.461 1.00 1.07 C ATOM 1082 CD2 PHE A 289 -2.719 3.232 5.249 1.00 0.84 C ATOM 1083 CE1 PHE A 289 -3.332 3.144 7.928 1.00 1.12 C ATOM 1084 CE2 PHE A 289 -3.854 3.841 5.709 1.00 0.81 C ATOM 1085 CZ PHE A 289 -4.166 3.798 7.044 1.00 0.50 C ATOM 0 H PHE A 289 0.475 0.210 6.986 1.00 0.31 H new ATOM 0 HA PHE A 289 1.373 2.465 5.408 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -0.588 2.147 4.494 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -0.858 0.803 5.586 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -1.530 2.019 8.150 1.00 1.07 H new ATOM 0 HD2 PHE A 289 -2.487 3.265 4.195 1.00 0.84 H new ATOM 0 HE1 PHE A 289 -3.575 3.110 8.980 1.00 1.12 H new ATOM 0 HE2 PHE A 289 -4.506 4.357 5.020 1.00 0.81 H new ATOM 0 HZ PHE A 289 -5.065 4.276 7.404 1.00 0.50 H new ATOM 1095 N THR A 290 1.192 2.979 8.415 1.00 0.33 N ATOM 1096 CA THR A 290 1.343 3.961 9.478 1.00 0.41 C ATOM 1097 C THR A 290 2.152 5.178 9.016 1.00 0.38 C ATOM 1098 O THR A 290 1.941 6.293 9.491 1.00 0.57 O ATOM 1099 CB THR A 290 2.044 3.303 10.676 1.00 0.51 C ATOM 1100 OG1 THR A 290 3.167 2.541 10.210 1.00 0.50 O ATOM 1101 CG2 THR A 290 1.092 2.392 11.432 1.00 0.61 C ATOM 0 H THR A 290 1.488 2.040 8.681 1.00 0.33 H new ATOM 0 HA THR A 290 0.350 4.310 9.762 1.00 0.41 H new ATOM 0 HB THR A 290 2.380 4.088 11.354 1.00 0.51 H new ATOM 0 HG1 THR A 290 3.617 2.122 10.973 1.00 0.50 H new ATOM 0 HG21 THR A 290 1.614 1.939 12.275 1.00 0.61 H new ATOM 0 HG22 THR A 290 0.246 2.974 11.799 1.00 0.61 H new ATOM 0 HG23 THR A 290 0.732 1.609 10.765 1.00 0.61 H new ATOM 1109 N HIS A 291 3.059 4.958 8.072 1.00 0.25 N ATOM 1110 CA HIS A 291 3.875 6.034 7.522 1.00 0.26 C ATOM 1111 C HIS A 291 3.633 6.134 6.028 1.00 0.23 C ATOM 1112 O HIS A 291 4.515 6.516 5.252 1.00 0.26 O ATOM 1113 CB HIS A 291 5.372 5.843 7.828 1.00 0.35 C ATOM 1114 CG HIS A 291 5.877 4.435 7.678 1.00 0.40 C ATOM 1115 ND1 HIS A 291 6.692 4.034 6.646 1.00 1.01 N ATOM 1116 CD2 HIS A 291 5.691 3.340 8.451 1.00 1.26 C ATOM 1117 CE1 HIS A 291 6.981 2.754 6.787 1.00 0.72 C ATOM 1118 NE2 HIS A 291 6.389 2.307 7.875 1.00 0.88 N ATOM 0 H HIS A 291 3.249 4.040 7.670 1.00 0.25 H new ATOM 0 HA HIS A 291 3.578 6.967 8.001 1.00 0.26 H new ATOM 0 HB2 HIS A 291 5.948 6.492 7.168 1.00 0.35 H new ATOM 0 HB3 HIS A 291 5.564 6.175 8.848 1.00 0.35 H new ATOM 0 HD1 HIS A 291 7.022 4.633 5.889 1.00 1.01 H new ATOM 0 HD2 HIS A 291 5.102 3.288 9.355 1.00 1.26 H new ATOM 0 HE1 HIS A 291 7.600 2.171 6.121 1.00 0.72 H new ATOM 1127 N VAL A 292 2.425 5.764 5.635 1.00 0.21 N ATOM 1128 CA VAL A 292 1.957 5.941 4.292 1.00 0.21 C ATOM 1129 C VAL A 292 0.643 6.701 4.332 1.00 0.24 C ATOM 1130 O VAL A 292 0.078 6.945 5.398 1.00 0.32 O ATOM 1131 CB VAL A 292 1.701 4.593 3.596 1.00 0.23 C ATOM 1132 CG1 VAL A 292 1.812 4.737 2.115 1.00 0.49 C ATOM 1133 CG2 VAL A 292 2.645 3.511 4.093 1.00 0.51 C ATOM 0 H VAL A 292 1.743 5.328 6.255 1.00 0.21 H new ATOM 0 HA VAL A 292 2.723 6.483 3.737 1.00 0.21 H new ATOM 0 HB VAL A 292 0.686 4.286 3.847 1.00 0.23 H new ATOM 0 HG11 VAL A 292 1.628 3.773 1.641 1.00 0.49 H new ATOM 0 HG12 VAL A 292 1.077 5.461 1.764 1.00 0.49 H new ATOM 0 HG13 VAL A 292 2.813 5.083 1.857 1.00 0.49 H new ATOM 0 HG21 VAL A 292 2.431 2.576 3.576 1.00 0.51 H new ATOM 0 HG22 VAL A 292 3.675 3.807 3.894 1.00 0.51 H new ATOM 0 HG23 VAL A 292 2.508 3.373 5.165 1.00 0.51 H new ATOM 1143 N ARG A 293 0.180 7.067 3.172 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.118 7.658 3.001 1.00 0.24 C ATOM 1145 C ARG A 293 -1.880 6.790 2.033 1.00 0.24 C ATOM 1146 O ARG A 293 -1.292 6.174 1.164 1.00 0.40 O ATOM 1147 CB ARG A 293 -0.975 9.091 2.488 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.185 9.963 3.444 1.00 0.38 C ATOM 1149 CD ARG A 293 -0.911 10.093 4.771 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.131 10.817 5.773 1.00 0.55 N ATOM 1151 CZ ARG A 293 0.016 10.410 7.032 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.488 9.240 7.415 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.681 11.168 7.895 1.00 0.74 N ATOM 0 H ARG A 293 0.702 6.962 2.302 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.659 7.713 3.946 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.482 9.080 1.516 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -1.965 9.522 2.338 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.804 9.533 3.605 1.00 0.38 H new ATOM 0 HG3 ARG A 293 -0.036 10.950 3.006 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.859 10.608 4.613 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.148 9.099 5.150 1.00 0.45 H new ATOM 0 HE ARG A 293 0.327 11.684 5.491 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -0.987 8.655 6.744 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.376 8.928 8.379 1.00 0.69 H new ATOM 0 HH21 ARG A 293 1.077 12.058 7.593 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.796 10.860 8.861 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.156 6.670 2.217 1.00 0.23 N ATOM 1168 CA LEU A 294 -3.938 5.797 1.370 1.00 0.26 C ATOM 1169 C LEU A 294 -4.802 6.581 0.412 1.00 0.27 C ATOM 1170 O LEU A 294 -5.475 7.546 0.770 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.781 4.892 2.240 1.00 0.38 C ATOM 1172 CG LEU A 294 -4.995 3.462 1.759 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -5.896 3.424 0.547 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -3.669 2.806 1.463 1.00 1.31 C ATOM 0 H LEU A 294 -3.686 7.158 2.939 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.261 5.194 0.765 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -4.322 4.851 3.228 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.759 5.357 2.362 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.488 2.904 2.555 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -6.031 2.391 0.226 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -6.865 3.855 0.800 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -5.443 3.999 -0.261 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -3.837 1.785 1.120 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -3.150 3.369 0.687 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -3.061 2.790 2.368 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.758 6.124 -0.808 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.491 6.687 -1.899 1.00 0.31 C ATOM 1188 C LEU A 295 -6.635 5.774 -2.271 1.00 0.36 C ATOM 1189 O LEU A 295 -6.743 5.289 -3.396 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.575 6.894 -3.070 1.00 0.33 C ATOM 1191 CG LEU A 295 -3.835 8.216 -3.072 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -2.715 8.223 -2.042 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.317 8.471 -4.460 1.00 0.39 C ATOM 0 H LEU A 295 -4.190 5.321 -1.076 1.00 0.27 H new ATOM 0 HA LEU A 295 -5.901 7.653 -1.603 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -3.845 6.085 -3.090 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.159 6.819 -3.988 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.516 9.019 -2.790 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.203 9.185 -2.068 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.133 8.061 -1.049 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.005 7.428 -2.271 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -2.781 9.420 -4.480 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -2.641 7.666 -4.750 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.153 8.512 -5.158 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.436 5.526 -1.270 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.526 4.558 -1.307 1.00 0.66 C ATOM 1207 C ASP A 296 -9.367 4.666 -2.572 1.00 0.86 C ATOM 1208 O ASP A 296 -9.920 5.719 -2.891 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.404 4.714 -0.060 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.880 6.138 0.163 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -9.034 7.060 0.213 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -11.093 6.339 0.348 1.00 1.97 O ATOM 0 H ASP A 296 -7.354 6.002 -0.372 1.00 0.55 H new ATOM 0 HA ASP A 296 -8.078 3.565 -1.317 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -10.270 4.058 -0.149 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -8.843 4.384 0.815 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.425 3.557 -3.290 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.193 3.455 -4.518 1.00 0.87 C ATOM 1219 C GLN A 297 -11.533 2.783 -4.245 1.00 1.60 C ATOM 1220 O GLN A 297 -12.423 3.440 -3.672 1.00 2.38 O ATOM 1221 CB GLN A 297 -9.410 2.641 -5.551 1.00 1.01 C ATOM 1222 CG GLN A 297 -8.129 3.311 -6.033 1.00 2.20 C ATOM 1223 CD GLN A 297 -8.381 4.529 -6.902 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -8.448 5.660 -6.416 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -8.524 4.303 -8.199 1.00 3.77 N ATOM 1226 OXT GLN A 297 -11.686 1.596 -4.604 1.00 2.17 O ATOM 0 H GLN A 297 -8.938 2.698 -3.035 1.00 0.62 H new ATOM 0 HA GLN A 297 -10.372 4.457 -4.907 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -9.160 1.672 -5.119 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -10.053 2.451 -6.410 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -7.534 3.606 -5.169 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -7.538 2.588 -6.595 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -8.461 3.351 -8.561 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -8.697 5.081 -8.836 1.00 3.77 H new