USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 703 hydrogens (7 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 305 ASN : amide:sc= -4.66! K(o=-4.6!,f=-1.5) USER MOD Set 1.2: A 332 SER OG : rot 180:sc= 0.0551 USER MOD Set 2.1: A 270 SER OG : rot 180:sc= 0.722 USER MOD Set 2.2: A 314 ASN : amide:sc= 1.4 K(o=2.1,f=-1.4!) USER MOD Set 3.1: A 265 SER OG : rot -133:sc= 0.689 USER MOD Set 3.2: A 282 SER OG : rot 180:sc= 0.46 USER MOD Single : A 248 ASN : amide:sc= -0.227 K(o=-0.23,f=-3.4!) USER MOD Single : A 251 THR OG1 : rot 180:sc= 0 USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= -0.213 K(o=-0.21,f=-7.2!) USER MOD Single : A 256 MET CE :methyl -164:sc= 0 (180deg=-0.37) USER MOD Single : A 259 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 269 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.32) USER MOD Single : A 271 ASN : amide:sc= -0.896! X(o=-0.9!,f=-0.66) USER MOD Single : A 279 TYR OH : rot -34:sc= 1.21 USER MOD Single : A 284 MET CE :methyl -147:sc= -0.0984 (180deg=-0.354) USER MOD Single : A 285 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0726) USER MOD Single : A 300 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 303 GLN : amide:sc= -0.0456 K(o=-0.046,f=-4.9!) USER MOD Single : A 308 ASN : amide:sc= 0.887 K(o=0.89,f=-3.8!) USER MOD Single : A 311 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 312 MET CE :methyl 144:sc= -0.522 (180deg=-1.93) USER MOD Single : A 313 SER OG : rot 180:sc= -0.38 USER MOD Single : A 326 SER OG : rot 79:sc= 1.27 USER MOD Single : A 327 GLN : amide:sc= -0.955 K(o=-0.96,f=-0.028) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 84:sc= 0.407 USER MOD Single : A 337 LYS NZ :NH3+ 160:sc= 1.07 (180deg=0.499!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 3.822 -14.072 -7.127 1.00 0.52 N ATOM 2 CA ASN A 248 2.492 -13.835 -7.735 1.00 0.49 C ATOM 3 C ASN A 248 2.076 -12.382 -7.544 1.00 0.44 C ATOM 4 O ASN A 248 1.887 -11.930 -6.416 1.00 0.47 O ATOM 5 CB ASN A 248 1.449 -14.769 -7.107 1.00 0.57 C ATOM 6 CG ASN A 248 0.146 -14.824 -7.888 1.00 0.70 C ATOM 7 OD1 ASN A 248 -0.268 -13.847 -8.504 1.00 0.99 O ATOM 8 ND2 ASN A 248 -0.504 -15.977 -7.873 1.00 1.26 N ATOM 0 HA ASN A 248 2.554 -14.044 -8.803 1.00 0.49 H new ATOM 0 HB2 ASN A 248 1.866 -15.774 -7.037 1.00 0.57 H new ATOM 0 HB3 ASN A 248 1.241 -14.439 -6.089 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -1.381 -16.075 -8.385 1.00 1.26 H new ATOM 0 HD22 ASN A 248 -0.128 -16.767 -7.349 1.00 1.26 H new ATOM 17 N ILE A 249 1.966 -11.645 -8.642 1.00 0.45 N ATOM 18 CA ILE A 249 1.560 -10.247 -8.587 1.00 0.43 C ATOM 19 C ILE A 249 0.048 -10.141 -8.753 1.00 0.42 C ATOM 20 O ILE A 249 -0.518 -10.713 -9.686 1.00 0.50 O ATOM 21 CB ILE A 249 2.257 -9.407 -9.684 1.00 0.47 C ATOM 22 CG1 ILE A 249 3.774 -9.410 -9.476 1.00 0.54 C ATOM 23 CG2 ILE A 249 1.722 -7.982 -9.690 1.00 0.50 C ATOM 24 CD1 ILE A 249 4.535 -8.633 -10.531 1.00 0.65 C ATOM 0 H ILE A 249 2.153 -11.993 -9.582 1.00 0.45 H new ATOM 0 HA ILE A 249 1.858 -9.853 -7.616 1.00 0.43 H new ATOM 0 HB ILE A 249 2.040 -9.858 -10.652 1.00 0.47 H new ATOM 0 HG12 ILE A 249 3.998 -8.990 -8.496 1.00 0.54 H new ATOM 0 HG13 ILE A 249 4.129 -10.441 -9.470 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.225 -7.408 -10.468 1.00 0.50 H new ATOM 0 HG22 ILE A 249 0.650 -7.997 -9.885 1.00 0.50 H new ATOM 0 HG23 ILE A 249 1.908 -7.520 -8.721 1.00 0.50 H new ATOM 0 HD11 ILE A 249 5.603 -8.680 -10.318 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.341 -9.066 -11.512 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.209 -7.593 -10.523 1.00 0.65 H new ATOM 36 N ILE A 250 -0.602 -9.424 -7.846 1.00 0.39 N ATOM 37 CA ILE A 250 -2.047 -9.259 -7.899 1.00 0.41 C ATOM 38 C ILE A 250 -2.430 -7.782 -7.870 1.00 0.37 C ATOM 39 O ILE A 250 -1.917 -7.014 -7.056 1.00 0.36 O ATOM 40 CB ILE A 250 -2.747 -9.984 -6.726 1.00 0.44 C ATOM 41 CG1 ILE A 250 -2.350 -11.463 -6.695 1.00 0.48 C ATOM 42 CG2 ILE A 250 -4.258 -9.847 -6.837 1.00 0.55 C ATOM 43 CD1 ILE A 250 -2.997 -12.248 -5.574 1.00 0.54 C ATOM 0 H ILE A 250 -0.151 -8.948 -7.065 1.00 0.39 H new ATOM 0 HA ILE A 250 -2.380 -9.703 -8.837 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.424 -9.517 -5.795 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -2.617 -11.921 -7.647 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -1.267 -11.536 -6.599 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.732 -10.364 -6.003 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.530 -8.792 -6.813 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.595 -10.287 -7.775 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.667 -13.286 -5.619 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.710 -11.817 -4.615 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -4.081 -12.207 -5.680 1.00 0.54 H new ATOM 55 N THR A 251 -3.321 -7.395 -8.776 1.00 0.40 N ATOM 56 CA THR A 251 -3.804 -6.026 -8.852 1.00 0.39 C ATOM 57 C THR A 251 -5.254 -5.973 -8.381 1.00 0.40 C ATOM 58 O THR A 251 -6.149 -6.505 -9.040 1.00 0.48 O ATOM 59 CB THR A 251 -3.715 -5.471 -10.290 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.420 -5.747 -10.848 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.971 -3.970 -10.308 1.00 0.47 C ATOM 0 H THR A 251 -3.725 -8.019 -9.474 1.00 0.40 H new ATOM 0 HA THR A 251 -3.174 -5.410 -8.211 1.00 0.39 H new ATOM 0 HB THR A 251 -4.480 -5.963 -10.891 1.00 0.46 H new ATOM 0 HG1 THR A 251 -2.375 -5.392 -11.761 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.903 -3.602 -11.332 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.967 -3.766 -9.914 1.00 0.47 H new ATOM 0 HG23 THR A 251 -3.227 -3.467 -9.691 1.00 0.47 H new ATOM 69 N VAL A 252 -5.481 -5.348 -7.236 1.00 0.36 N ATOM 70 CA VAL A 252 -6.824 -5.252 -6.678 1.00 0.38 C ATOM 71 C VAL A 252 -7.345 -3.820 -6.721 1.00 0.35 C ATOM 72 O VAL A 252 -6.571 -2.863 -6.650 1.00 0.39 O ATOM 73 CB VAL A 252 -6.875 -5.768 -5.220 1.00 0.41 C ATOM 74 CG1 VAL A 252 -6.421 -7.218 -5.151 1.00 0.50 C ATOM 75 CG2 VAL A 252 -6.028 -4.897 -4.299 1.00 0.40 C ATOM 0 H VAL A 252 -4.756 -4.900 -6.675 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.462 -5.882 -7.298 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.909 -5.711 -4.879 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -6.463 -7.564 -4.118 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -7.076 -7.834 -5.767 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -5.398 -7.297 -5.518 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -6.083 -5.283 -3.281 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -4.992 -4.910 -4.637 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.403 -3.874 -4.319 1.00 0.40 H new ATOM 85 N THR A 253 -8.656 -3.684 -6.852 1.00 0.39 N ATOM 86 CA THR A 253 -9.295 -2.383 -6.878 1.00 0.40 C ATOM 87 C THR A 253 -10.200 -2.245 -5.656 1.00 0.39 C ATOM 88 O THR A 253 -11.253 -2.884 -5.563 1.00 0.54 O ATOM 89 CB THR A 253 -10.095 -2.158 -8.185 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.880 -0.961 -8.092 1.00 0.76 O ATOM 91 CG2 THR A 253 -11.001 -3.343 -8.503 1.00 0.79 C ATOM 0 H THR A 253 -9.301 -4.469 -6.943 1.00 0.39 H new ATOM 0 HA THR A 253 -8.521 -1.616 -6.848 1.00 0.40 H new ATOM 0 HB THR A 253 -9.372 -2.056 -8.995 1.00 0.50 H new ATOM 0 HG1 THR A 253 -11.379 -0.831 -8.926 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.545 -3.147 -9.427 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.396 -4.242 -8.622 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.710 -3.488 -7.688 1.00 0.79 H new ATOM 99 N LEU A 254 -9.764 -1.438 -4.703 1.00 0.33 N ATOM 100 CA LEU A 254 -10.510 -1.245 -3.472 1.00 0.35 C ATOM 101 C LEU A 254 -11.534 -0.125 -3.606 1.00 0.35 C ATOM 102 O LEU A 254 -11.242 0.949 -4.139 1.00 0.37 O ATOM 103 CB LEU A 254 -9.550 -0.954 -2.318 1.00 0.36 C ATOM 104 CG LEU A 254 -8.497 -2.038 -2.056 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.692 -1.708 -0.810 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.153 -3.406 -1.919 1.00 0.45 C ATOM 0 H LEU A 254 -8.896 -0.906 -4.759 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.055 -2.165 -3.262 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.038 -0.014 -2.521 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.133 -0.809 -1.409 1.00 0.36 H new ATOM 0 HG LEU A 254 -7.819 -2.068 -2.909 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -6.950 -2.488 -0.639 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.188 -0.751 -0.945 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.360 -1.648 0.049 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.388 -4.160 -1.734 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -9.856 -3.391 -1.086 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -9.685 -3.648 -2.839 1.00 0.45 H new ATOM 118 N ASN A 255 -12.737 -0.395 -3.117 1.00 0.40 N ATOM 119 CA ASN A 255 -13.831 0.565 -3.164 1.00 0.44 C ATOM 120 C ASN A 255 -13.680 1.601 -2.057 1.00 0.40 C ATOM 121 O ASN A 255 -13.739 1.272 -0.870 1.00 0.39 O ATOM 122 CB ASN A 255 -15.173 -0.164 -3.025 1.00 0.50 C ATOM 123 CG ASN A 255 -16.352 0.782 -2.860 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.669 1.215 -1.748 1.00 0.52 O ATOM 125 ND2 ASN A 255 -17.014 1.106 -3.959 1.00 0.65 N ATOM 0 H ASN A 255 -12.981 -1.283 -2.678 1.00 0.40 H new ATOM 0 HA ASN A 255 -13.803 1.079 -4.125 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.335 -0.786 -3.905 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.129 -0.833 -2.166 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.816 1.734 -3.905 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.722 0.728 -4.860 1.00 0.65 H new ATOM 132 N MET A 256 -13.486 2.851 -2.448 1.00 0.41 N ATOM 133 CA MET A 256 -13.328 3.935 -1.489 1.00 0.41 C ATOM 134 C MET A 256 -14.632 4.702 -1.315 1.00 0.44 C ATOM 135 O MET A 256 -14.641 5.841 -0.856 1.00 0.49 O ATOM 136 CB MET A 256 -12.213 4.881 -1.933 1.00 0.43 C ATOM 137 CG MET A 256 -10.833 4.438 -1.479 1.00 0.45 C ATOM 138 SD MET A 256 -10.680 4.380 0.320 1.00 0.56 S ATOM 139 CE MET A 256 -10.620 6.130 0.708 1.00 0.63 C ATOM 0 H MET A 256 -13.434 3.141 -3.425 1.00 0.41 H new ATOM 0 HA MET A 256 -13.057 3.499 -0.527 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.223 4.958 -3.020 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.414 5.878 -1.541 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.618 3.452 -1.890 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.085 5.121 -1.882 1.00 0.45 H new ATOM 0 HE1 MET A 256 -10.247 6.265 1.723 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.956 6.636 0.007 1.00 0.63 H new ATOM 0 HE3 MET A 256 -11.621 6.554 0.630 1.00 0.63 H new ATOM 149 N GLU A 257 -15.733 4.072 -1.694 1.00 0.46 N ATOM 150 CA GLU A 257 -17.044 4.686 -1.561 1.00 0.51 C ATOM 151 C GLU A 257 -17.626 4.356 -0.196 1.00 0.49 C ATOM 152 O GLU A 257 -18.029 5.242 0.555 1.00 0.56 O ATOM 153 CB GLU A 257 -17.976 4.191 -2.663 1.00 0.56 C ATOM 154 CG GLU A 257 -17.683 4.797 -4.024 1.00 0.67 C ATOM 155 CD GLU A 257 -18.491 6.050 -4.283 1.00 0.86 C ATOM 156 OE1 GLU A 257 -18.148 7.111 -3.728 1.00 1.27 O ATOM 157 OE2 GLU A 257 -19.483 5.969 -5.038 1.00 1.23 O ATOM 0 H GLU A 257 -15.744 3.135 -2.097 1.00 0.46 H new ATOM 0 HA GLU A 257 -16.941 5.767 -1.655 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -17.898 3.106 -2.733 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -19.005 4.419 -2.387 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.621 5.032 -4.093 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -17.898 4.062 -4.800 1.00 0.67 H new ATOM 164 N ARG A 258 -17.656 3.069 0.121 1.00 0.45 N ATOM 165 CA ARG A 258 -18.172 2.612 1.400 1.00 0.45 C ATOM 166 C ARG A 258 -17.084 2.728 2.462 1.00 0.43 C ATOM 167 O ARG A 258 -17.367 2.874 3.649 1.00 0.63 O ATOM 168 CB ARG A 258 -18.659 1.164 1.293 1.00 0.48 C ATOM 169 CG ARG A 258 -19.346 0.651 2.550 1.00 0.56 C ATOM 170 CD ARG A 258 -19.785 -0.796 2.393 1.00 0.64 C ATOM 171 NE ARG A 258 -20.035 -1.428 3.686 1.00 0.75 N ATOM 172 CZ ARG A 258 -20.596 -2.624 3.842 1.00 0.86 C ATOM 173 NH1 ARG A 258 -20.984 -3.329 2.786 1.00 1.01 N ATOM 174 NH2 ARG A 258 -20.769 -3.119 5.062 1.00 1.06 N ATOM 0 H ARG A 258 -17.328 2.323 -0.492 1.00 0.45 H new ATOM 0 HA ARG A 258 -19.018 3.237 1.686 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.351 1.085 0.454 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.809 0.521 1.067 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.667 0.736 3.398 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -20.213 1.273 2.772 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -20.690 -0.838 1.786 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -19.016 -1.354 1.858 1.00 0.64 H new ATOM 0 HE ARG A 258 -19.761 -0.918 4.526 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -20.853 -2.954 1.846 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -21.413 -4.245 2.914 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -20.472 -2.582 5.877 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -21.199 -4.036 5.184 1.00 1.06 H new ATOM 188 N HIS A 259 -15.833 2.680 2.019 1.00 0.37 N ATOM 189 CA HIS A 259 -14.694 2.783 2.922 1.00 0.35 C ATOM 190 C HIS A 259 -14.161 4.205 2.908 1.00 0.40 C ATOM 191 O HIS A 259 -14.426 4.957 1.975 1.00 0.63 O ATOM 192 CB HIS A 259 -13.581 1.815 2.517 1.00 0.38 C ATOM 193 CG HIS A 259 -14.014 0.382 2.473 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.262 -0.290 1.297 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.250 -0.508 3.467 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.637 -1.526 1.569 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.636 -1.684 2.878 1.00 0.75 N ATOM 0 H HIS A 259 -15.582 2.570 1.037 1.00 0.37 H new ATOM 0 HA HIS A 259 -15.028 2.521 3.926 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.203 2.101 1.536 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.753 1.913 3.219 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -14.170 0.106 0.361 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.152 -0.325 4.527 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -14.900 -2.280 0.842 1.00 0.76 H new ATOM 206 N HIS A 260 -13.415 4.571 3.938 1.00 0.36 N ATOM 207 CA HIS A 260 -12.858 5.916 4.024 1.00 0.42 C ATOM 208 C HIS A 260 -11.366 5.859 4.333 1.00 0.35 C ATOM 209 O HIS A 260 -10.749 6.871 4.667 1.00 0.42 O ATOM 210 CB HIS A 260 -13.586 6.735 5.097 1.00 0.56 C ATOM 211 CG HIS A 260 -15.042 6.948 4.810 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.504 7.832 3.858 1.00 0.97 N ATOM 213 CD2 HIS A 260 -16.141 6.368 5.343 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.822 7.787 3.819 1.00 1.09 C ATOM 215 NE2 HIS A 260 -17.233 6.905 4.709 1.00 1.01 N ATOM 0 H HIS A 260 -13.181 3.962 4.722 1.00 0.36 H new ATOM 0 HA HIS A 260 -12.997 6.403 3.059 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.484 6.230 6.058 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -13.098 7.705 5.194 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.156 5.621 6.123 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -17.456 8.372 3.169 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -18.206 6.661 4.896 1.00 1.01 H new ATOM 224 N PHE A 261 -10.795 4.666 4.208 1.00 0.30 N ATOM 225 CA PHE A 261 -9.378 4.445 4.475 1.00 0.25 C ATOM 226 C PHE A 261 -8.960 3.065 3.981 1.00 0.21 C ATOM 227 O PHE A 261 -9.812 2.215 3.698 1.00 0.22 O ATOM 228 CB PHE A 261 -9.075 4.586 5.976 1.00 0.28 C ATOM 229 CG PHE A 261 -9.860 3.655 6.866 1.00 0.32 C ATOM 230 CD1 PHE A 261 -11.195 3.902 7.153 1.00 0.52 C ATOM 231 CD2 PHE A 261 -9.257 2.540 7.422 1.00 0.36 C ATOM 232 CE1 PHE A 261 -11.912 3.057 7.975 1.00 0.62 C ATOM 233 CE2 PHE A 261 -9.969 1.692 8.249 1.00 0.44 C ATOM 234 CZ PHE A 261 -11.298 1.950 8.524 1.00 0.52 C ATOM 0 H PHE A 261 -11.299 3.827 3.920 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.806 5.202 3.939 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -8.011 4.410 6.136 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.277 5.613 6.279 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.680 4.768 6.727 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -8.219 2.331 7.207 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -12.951 3.261 8.188 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -9.486 0.827 8.680 1.00 0.44 H new ATOM 0 HZ PHE A 261 -11.856 1.286 9.168 1.00 0.52 H new ATOM 244 N LEU A 262 -7.658 2.843 3.892 1.00 0.17 N ATOM 245 CA LEU A 262 -7.125 1.570 3.437 1.00 0.14 C ATOM 246 C LEU A 262 -7.156 0.566 4.578 1.00 0.12 C ATOM 247 O LEU A 262 -7.686 -0.540 4.436 1.00 0.14 O ATOM 248 CB LEU A 262 -5.696 1.743 2.903 1.00 0.14 C ATOM 249 CG LEU A 262 -5.587 2.176 1.435 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.176 1.938 0.919 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.600 1.440 0.571 1.00 0.34 C ATOM 0 H LEU A 262 -6.947 3.534 4.131 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.744 1.196 2.622 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.183 2.481 3.520 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.164 0.799 3.026 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.807 3.242 1.378 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.113 2.249 -0.124 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.469 2.516 1.514 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -3.934 0.878 0.996 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.500 1.766 -0.464 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.419 0.367 0.632 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.607 1.659 0.925 1.00 0.34 H new ATOM 263 N GLY A 263 -6.606 0.968 5.712 1.00 0.11 N ATOM 264 CA GLY A 263 -6.588 0.115 6.876 1.00 0.12 C ATOM 265 C GLY A 263 -5.377 -0.784 6.919 1.00 0.11 C ATOM 266 O GLY A 263 -5.495 -1.969 7.225 1.00 0.14 O ATOM 0 H GLY A 263 -6.168 1.879 5.846 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.610 0.732 7.774 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.490 -0.496 6.888 1.00 0.12 H new ATOM 270 N ILE A 264 -4.212 -0.232 6.607 1.00 0.09 N ATOM 271 CA ILE A 264 -2.977 -1.007 6.617 1.00 0.09 C ATOM 272 C ILE A 264 -1.792 -0.170 7.079 1.00 0.08 C ATOM 273 O ILE A 264 -1.770 1.058 6.928 1.00 0.11 O ATOM 274 CB ILE A 264 -2.634 -1.594 5.227 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.942 -0.579 4.122 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.383 -2.898 4.992 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.318 -0.924 2.785 1.00 0.18 C ATOM 0 H ILE A 264 -4.096 0.747 6.344 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.155 -1.823 7.317 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.566 -1.810 5.201 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -4.023 -0.505 4.000 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.589 0.403 4.435 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.127 -3.293 4.009 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.103 -3.621 5.758 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.456 -2.715 5.041 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.580 -0.160 2.053 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.234 -0.969 2.890 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.690 -1.892 2.449 1.00 0.18 H new ATOM 289 N SER A 265 -0.817 -0.847 7.658 1.00 0.09 N ATOM 290 CA SER A 265 0.393 -0.201 8.117 1.00 0.12 C ATOM 291 C SER A 265 1.517 -0.511 7.139 1.00 0.11 C ATOM 292 O SER A 265 1.737 -1.670 6.783 1.00 0.19 O ATOM 293 CB SER A 265 0.751 -0.671 9.527 1.00 0.20 C ATOM 294 OG SER A 265 0.751 -2.087 9.623 1.00 1.00 O ATOM 0 H SER A 265 -0.843 -1.854 7.821 1.00 0.09 H new ATOM 0 HA SER A 265 0.240 0.877 8.159 1.00 0.12 H new ATOM 0 HB2 SER A 265 1.734 -0.288 9.800 1.00 0.20 H new ATOM 0 HB3 SER A 265 0.038 -0.258 10.241 1.00 0.20 H new ATOM 0 HG SER A 265 0.255 -2.361 10.423 1.00 1.00 H new ATOM 300 N ILE A 266 2.205 0.515 6.683 1.00 0.10 N ATOM 301 CA ILE A 266 3.282 0.327 5.730 1.00 0.11 C ATOM 302 C ILE A 266 4.623 0.244 6.448 1.00 0.13 C ATOM 303 O ILE A 266 4.993 1.143 7.200 1.00 0.28 O ATOM 304 CB ILE A 266 3.319 1.462 4.681 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.899 1.865 4.244 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.137 1.029 3.474 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.055 0.706 3.759 1.00 0.16 C ATOM 0 H ILE A 266 2.040 1.484 6.955 1.00 0.10 H new ATOM 0 HA ILE A 266 3.095 -0.612 5.208 1.00 0.11 H new ATOM 0 HB ILE A 266 3.789 2.332 5.140 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.394 2.344 5.083 1.00 0.14 H new ATOM 0 HG13 ILE A 266 1.971 2.607 3.449 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.157 1.835 2.740 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.155 0.798 3.788 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.686 0.143 3.027 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.069 1.070 3.469 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.537 0.240 2.900 1.00 0.16 H new ATOM 0 HD13 ILE A 266 0.950 -0.027 4.558 1.00 0.16 H new ATOM 319 N VAL A 267 5.340 -0.847 6.229 1.00 0.12 N ATOM 320 CA VAL A 267 6.638 -1.040 6.854 1.00 0.14 C ATOM 321 C VAL A 267 7.754 -0.800 5.846 1.00 0.14 C ATOM 322 O VAL A 267 7.895 -1.542 4.871 1.00 0.23 O ATOM 323 CB VAL A 267 6.781 -2.460 7.449 1.00 0.24 C ATOM 324 CG1 VAL A 267 8.146 -2.647 8.099 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.674 -2.729 8.455 1.00 0.31 C ATOM 0 H VAL A 267 5.045 -1.612 5.623 1.00 0.12 H new ATOM 0 HA VAL A 267 6.716 -0.318 7.667 1.00 0.14 H new ATOM 0 HB VAL A 267 6.694 -3.177 6.633 1.00 0.24 H new ATOM 0 HG11 VAL A 267 8.219 -3.654 8.509 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.927 -2.501 7.353 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.270 -1.919 8.901 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.790 -3.733 8.864 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.731 -1.999 9.263 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.706 -2.648 7.961 1.00 0.31 H new ATOM 335 N GLY A 268 8.525 0.254 6.074 1.00 0.17 N ATOM 336 CA GLY A 268 9.627 0.570 5.192 1.00 0.23 C ATOM 337 C GLY A 268 10.866 -0.219 5.557 1.00 0.23 C ATOM 338 O GLY A 268 11.524 0.076 6.558 1.00 0.37 O ATOM 0 H GLY A 268 8.405 0.897 6.857 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.345 0.353 4.162 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.844 1.637 5.245 1.00 0.23 H new ATOM 342 N GLN A 269 11.179 -1.223 4.750 1.00 0.27 N ATOM 343 CA GLN A 269 12.334 -2.074 4.989 1.00 0.34 C ATOM 344 C GLN A 269 13.627 -1.329 4.681 1.00 0.38 C ATOM 345 O GLN A 269 14.057 -1.248 3.526 1.00 0.50 O ATOM 346 CB GLN A 269 12.234 -3.343 4.141 1.00 0.49 C ATOM 347 CG GLN A 269 13.211 -4.434 4.541 1.00 0.67 C ATOM 348 CD GLN A 269 13.067 -4.843 5.990 1.00 1.19 C ATOM 349 OE1 GLN A 269 13.787 -4.352 6.858 1.00 1.81 O ATOM 350 NE2 GLN A 269 12.135 -5.741 6.267 1.00 1.87 N ATOM 0 H GLN A 269 10.643 -1.469 3.917 1.00 0.27 H new ATOM 0 HA GLN A 269 12.347 -2.354 6.042 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.219 -3.735 4.211 1.00 0.49 H new ATOM 0 HB3 GLN A 269 12.404 -3.083 3.096 1.00 0.49 H new ATOM 0 HG2 GLN A 269 13.057 -5.305 3.905 1.00 0.67 H new ATOM 0 HG3 GLN A 269 14.229 -4.087 4.365 1.00 0.67 H new ATOM 0 HE21 GLN A 269 11.558 -6.125 5.519 1.00 1.87 H new ATOM 0 HE22 GLN A 269 11.994 -6.049 7.229 1.00 1.87 H new ATOM 359 N SER A 270 14.231 -0.767 5.712 1.00 0.55 N ATOM 360 CA SER A 270 15.468 -0.032 5.558 1.00 0.70 C ATOM 361 C SER A 270 16.612 -0.782 6.232 1.00 0.83 C ATOM 362 O SER A 270 16.687 -0.860 7.458 1.00 1.17 O ATOM 363 CB SER A 270 15.323 1.379 6.137 1.00 0.96 C ATOM 364 OG SER A 270 14.209 2.051 5.566 1.00 1.10 O ATOM 0 H SER A 270 13.881 -0.807 6.669 1.00 0.55 H new ATOM 0 HA SER A 270 15.696 0.058 4.496 1.00 0.70 H new ATOM 0 HB2 SER A 270 15.202 1.322 7.219 1.00 0.96 H new ATOM 0 HB3 SER A 270 16.233 1.949 5.948 1.00 0.96 H new ATOM 0 HG SER A 270 14.136 2.949 5.952 1.00 1.10 H new ATOM 370 N ASN A 271 17.470 -1.375 5.415 1.00 0.91 N ATOM 371 CA ASN A 271 18.619 -2.127 5.912 1.00 1.15 C ATOM 372 C ASN A 271 19.890 -1.310 5.707 1.00 1.04 C ATOM 373 O ASN A 271 19.844 -0.080 5.732 1.00 1.29 O ATOM 374 CB ASN A 271 18.723 -3.470 5.175 1.00 1.43 C ATOM 375 CG ASN A 271 19.391 -4.552 6.006 1.00 2.09 C ATOM 376 OD1 ASN A 271 18.860 -4.970 7.033 1.00 2.75 O ATOM 377 ND2 ASN A 271 20.556 -5.017 5.568 1.00 2.37 N ATOM 0 H ASN A 271 17.393 -1.351 4.398 1.00 0.91 H new ATOM 0 HA ASN A 271 18.491 -2.323 6.977 1.00 1.15 H new ATOM 0 HB2 ASN A 271 17.724 -3.801 4.892 1.00 1.43 H new ATOM 0 HB3 ASN A 271 19.285 -3.329 4.252 1.00 1.43 H new ATOM 0 HD21 ASN A 271 21.042 -5.747 6.089 1.00 2.37 H new ATOM 0 HD22 ASN A 271 20.964 -4.644 4.711 1.00 2.37 H new ATOM 384 N ASP A 272 21.015 -1.991 5.506 1.00 1.04 N ATOM 385 CA ASP A 272 22.295 -1.326 5.270 1.00 1.02 C ATOM 386 C ASP A 272 22.180 -0.395 4.068 1.00 1.00 C ATOM 387 O ASP A 272 22.697 0.721 4.077 1.00 1.14 O ATOM 388 CB ASP A 272 23.411 -2.359 5.044 1.00 1.26 C ATOM 389 CG ASP A 272 23.189 -3.216 3.808 1.00 1.61 C ATOM 390 OD1 ASP A 272 22.056 -3.715 3.610 1.00 2.08 O ATOM 391 OD2 ASP A 272 24.146 -3.403 3.026 1.00 1.91 O ATOM 0 H ASP A 272 21.067 -3.010 5.502 1.00 1.04 H new ATOM 0 HA ASP A 272 22.552 -0.738 6.151 1.00 1.02 H new ATOM 0 HB2 ASP A 272 24.365 -1.840 4.952 1.00 1.26 H new ATOM 0 HB3 ASP A 272 23.482 -3.005 5.919 1.00 1.26 H new ATOM 396 N ARG A 273 21.487 -0.866 3.041 1.00 1.07 N ATOM 397 CA ARG A 273 21.267 -0.080 1.840 1.00 1.28 C ATOM 398 C ARG A 273 20.071 0.849 2.035 1.00 1.10 C ATOM 399 O ARG A 273 20.169 2.058 1.836 1.00 1.41 O ATOM 400 CB ARG A 273 21.018 -1.000 0.652 1.00 1.59 C ATOM 401 CG ARG A 273 22.141 -1.000 -0.369 1.00 1.84 C ATOM 402 CD ARG A 273 21.616 -0.669 -1.754 1.00 1.60 C ATOM 403 NE ARG A 273 22.587 -0.978 -2.800 1.00 1.78 N ATOM 404 CZ ARG A 273 22.252 -1.382 -4.024 1.00 2.01 C ATOM 405 NH1 ARG A 273 20.974 -1.532 -4.358 1.00 1.92 N ATOM 406 NH2 ARG A 273 23.198 -1.644 -4.919 1.00 2.63 N ATOM 0 H ARG A 273 21.066 -1.795 3.018 1.00 1.07 H new ATOM 0 HA ARG A 273 22.156 0.520 1.645 1.00 1.28 H new ATOM 0 HB2 ARG A 273 20.871 -2.017 1.016 1.00 1.59 H new ATOM 0 HB3 ARG A 273 20.092 -0.701 0.160 1.00 1.59 H new ATOM 0 HG2 ARG A 273 22.900 -0.273 -0.080 1.00 1.84 H new ATOM 0 HG3 ARG A 273 22.625 -1.977 -0.383 1.00 1.84 H new ATOM 0 HD2 ARG A 273 20.698 -1.228 -1.936 1.00 1.60 H new ATOM 0 HD3 ARG A 273 21.359 0.389 -1.800 1.00 1.60 H new ATOM 0 HE ARG A 273 23.578 -0.879 -2.581 1.00 1.78 H new ATOM 0 HH11 ARG A 273 20.242 -1.337 -3.675 1.00 1.92 H new ATOM 0 HH12 ARG A 273 20.725 -1.842 -5.297 1.00 1.92 H new ATOM 0 HH21 ARG A 273 24.181 -1.536 -4.669 1.00 2.63 H new ATOM 0 HH22 ARG A 273 22.942 -1.953 -5.856 1.00 2.63 H new ATOM 420 N GLY A 274 18.938 0.267 2.420 1.00 0.89 N ATOM 421 CA GLY A 274 17.739 1.054 2.654 1.00 0.89 C ATOM 422 C GLY A 274 16.716 0.915 1.543 1.00 0.72 C ATOM 423 O GLY A 274 15.642 1.511 1.599 1.00 0.97 O ATOM 0 H GLY A 274 18.829 -0.735 2.574 1.00 0.89 H new ATOM 0 HA2 GLY A 274 17.287 0.747 3.597 1.00 0.89 H new ATOM 0 HA3 GLY A 274 18.014 2.104 2.759 1.00 0.89 H new ATOM 427 N ASP A 275 17.041 0.119 0.541 1.00 0.65 N ATOM 428 CA ASP A 275 16.152 -0.089 -0.599 1.00 0.66 C ATOM 429 C ASP A 275 15.450 -1.441 -0.511 1.00 0.69 C ATOM 430 O ASP A 275 15.315 -2.156 -1.506 1.00 1.44 O ATOM 431 CB ASP A 275 16.939 0.018 -1.915 1.00 0.91 C ATOM 432 CG ASP A 275 18.084 -0.978 -2.014 1.00 1.10 C ATOM 433 OD1 ASP A 275 18.485 -1.550 -0.977 1.00 1.53 O ATOM 434 OD2 ASP A 275 18.601 -1.179 -3.133 1.00 1.75 O ATOM 0 H ASP A 275 17.918 -0.399 0.489 1.00 0.65 H new ATOM 0 HA ASP A 275 15.389 0.689 -0.578 1.00 0.66 H new ATOM 0 HB2 ASP A 275 16.258 -0.138 -2.751 1.00 0.91 H new ATOM 0 HB3 ASP A 275 17.336 1.028 -2.012 1.00 0.91 H new ATOM 439 N GLY A 276 14.983 -1.780 0.685 1.00 0.48 N ATOM 440 CA GLY A 276 14.300 -3.043 0.883 1.00 0.43 C ATOM 441 C GLY A 276 12.883 -3.030 0.344 1.00 0.37 C ATOM 442 O GLY A 276 12.353 -4.070 -0.053 1.00 0.52 O ATOM 0 H GLY A 276 15.066 -1.202 1.521 1.00 0.48 H new ATOM 0 HA2 GLY A 276 14.864 -3.837 0.394 1.00 0.43 H new ATOM 0 HA3 GLY A 276 14.278 -3.277 1.947 1.00 0.43 H new ATOM 446 N GLY A 277 12.269 -1.856 0.331 1.00 0.30 N ATOM 447 CA GLY A 277 10.915 -1.734 -0.167 1.00 0.29 C ATOM 448 C GLY A 277 9.902 -1.597 0.951 1.00 0.24 C ATOM 449 O GLY A 277 10.246 -1.716 2.129 1.00 0.27 O ATOM 0 H GLY A 277 12.686 -0.984 0.657 1.00 0.30 H new ATOM 0 HA2 GLY A 277 10.848 -0.866 -0.823 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.672 -2.609 -0.770 1.00 0.29 H new ATOM 453 N ILE A 278 8.654 -1.349 0.588 1.00 0.21 N ATOM 454 CA ILE A 278 7.589 -1.196 1.567 1.00 0.19 C ATOM 455 C ILE A 278 6.688 -2.427 1.582 1.00 0.18 C ATOM 456 O ILE A 278 6.155 -2.838 0.548 1.00 0.23 O ATOM 457 CB ILE A 278 6.746 0.072 1.301 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.359 0.171 -0.178 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.513 1.315 1.735 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.315 1.231 -0.460 1.00 0.27 C ATOM 0 H ILE A 278 8.352 -1.249 -0.381 1.00 0.21 H new ATOM 0 HA ILE A 278 8.061 -1.089 2.544 1.00 0.19 H new ATOM 0 HB ILE A 278 5.829 0.003 1.887 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.252 0.386 -0.765 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.983 -0.796 -0.512 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.908 2.201 1.542 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.735 1.252 2.800 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.445 1.382 1.173 1.00 0.23 H new ATOM 0 HD11 ILE A 278 5.089 1.245 -1.526 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.407 1.006 0.100 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.696 2.206 -0.157 1.00 0.27 H new ATOM 472 N TYR A 279 6.540 -3.022 2.755 1.00 0.15 N ATOM 473 CA TYR A 279 5.721 -4.215 2.912 1.00 0.16 C ATOM 474 C TYR A 279 4.541 -3.935 3.829 1.00 0.15 C ATOM 475 O TYR A 279 4.594 -3.030 4.663 1.00 0.18 O ATOM 476 CB TYR A 279 6.554 -5.368 3.486 1.00 0.19 C ATOM 477 CG TYR A 279 7.804 -5.683 2.691 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.992 -5.006 2.935 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.797 -6.658 1.700 1.00 0.44 C ATOM 480 CE1 TYR A 279 10.132 -5.283 2.209 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.938 -6.942 0.973 1.00 0.57 C ATOM 482 CZ TYR A 279 10.103 -6.253 1.234 1.00 0.55 C ATOM 483 OH TYR A 279 11.243 -6.526 0.511 1.00 0.72 O ATOM 0 H TYR A 279 6.978 -2.697 3.617 1.00 0.15 H new ATOM 0 HA TYR A 279 5.348 -4.500 1.928 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.839 -5.122 4.509 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.932 -6.262 3.535 1.00 0.19 H new ATOM 0 HD1 TYR A 279 9.024 -4.250 3.706 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.887 -7.202 1.495 1.00 0.44 H new ATOM 0 HE1 TYR A 279 11.045 -4.740 2.406 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.917 -7.700 0.204 1.00 0.57 H new ATOM 0 HH TYR A 279 11.756 -5.701 0.385 1.00 0.72 H new ATOM 493 N ILE A 280 3.478 -4.710 3.661 1.00 0.16 N ATOM 494 CA ILE A 280 2.284 -4.570 4.485 1.00 0.16 C ATOM 495 C ILE A 280 2.546 -5.134 5.877 1.00 0.17 C ATOM 496 O ILE A 280 2.764 -6.334 6.031 1.00 0.21 O ATOM 497 CB ILE A 280 1.073 -5.307 3.862 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.840 -4.842 2.420 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.181 -5.089 4.703 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.527 -3.366 2.297 1.00 0.24 C ATOM 0 H ILE A 280 3.418 -5.446 2.958 1.00 0.16 H new ATOM 0 HA ILE A 280 2.048 -3.508 4.547 1.00 0.16 H new ATOM 0 HB ILE A 280 1.295 -6.374 3.847 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.727 -5.066 1.828 1.00 0.21 H new ATOM 0 HG13 ILE A 280 0.018 -5.415 1.992 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.020 -5.615 4.248 1.00 0.21 H new ATOM 0 HG22 ILE A 280 -0.015 -5.472 5.710 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.405 -4.023 4.753 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.375 -3.113 1.248 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.378 -3.138 2.860 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.358 -2.783 2.694 1.00 0.24 H new ATOM 512 N GLY A 281 2.533 -4.268 6.878 1.00 0.20 N ATOM 513 CA GLY A 281 2.778 -4.700 8.242 1.00 0.23 C ATOM 514 C GLY A 281 1.612 -5.473 8.824 1.00 0.24 C ATOM 515 O GLY A 281 1.764 -6.626 9.230 1.00 0.42 O ATOM 0 H GLY A 281 2.357 -3.269 6.772 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.672 -5.323 8.267 1.00 0.23 H new ATOM 0 HA3 GLY A 281 2.979 -3.829 8.865 1.00 0.23 H new ATOM 519 N SER A 282 0.451 -4.841 8.867 1.00 0.25 N ATOM 520 CA SER A 282 -0.744 -5.477 9.399 1.00 0.29 C ATOM 521 C SER A 282 -1.988 -4.875 8.762 1.00 0.26 C ATOM 522 O SER A 282 -1.932 -3.783 8.193 1.00 0.30 O ATOM 523 CB SER A 282 -0.796 -5.325 10.922 1.00 0.35 C ATOM 524 OG SER A 282 -0.252 -4.080 11.332 1.00 0.75 O ATOM 0 H SER A 282 0.310 -3.886 8.539 1.00 0.25 H new ATOM 0 HA SER A 282 -0.710 -6.540 9.159 1.00 0.29 H new ATOM 0 HB2 SER A 282 -1.828 -5.404 11.263 1.00 0.35 H new ATOM 0 HB3 SER A 282 -0.242 -6.139 11.391 1.00 0.35 H new ATOM 0 HG SER A 282 -0.299 -4.008 12.308 1.00 0.75 H new ATOM 530 N ILE A 283 -3.098 -5.592 8.853 1.00 0.24 N ATOM 531 CA ILE A 283 -4.355 -5.134 8.285 1.00 0.23 C ATOM 532 C ILE A 283 -5.340 -4.787 9.394 1.00 0.23 C ATOM 533 O ILE A 283 -5.476 -5.526 10.371 1.00 0.30 O ATOM 534 CB ILE A 283 -4.983 -6.203 7.364 1.00 0.27 C ATOM 535 CG1 ILE A 283 -3.954 -6.711 6.351 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.201 -5.637 6.646 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.446 -7.876 5.520 1.00 0.53 C ATOM 0 H ILE A 283 -3.152 -6.498 9.318 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.140 -4.246 7.690 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.303 -7.043 7.980 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.676 -5.893 5.686 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -3.051 -7.010 6.882 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.632 -6.403 6.001 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -6.942 -5.322 7.380 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -5.902 -4.780 6.042 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.665 -8.183 4.825 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.696 -8.710 6.175 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.332 -7.575 4.961 1.00 0.53 H new ATOM 549 N MET A 284 -6.013 -3.657 9.245 1.00 0.20 N ATOM 550 CA MET A 284 -6.987 -3.208 10.225 1.00 0.21 C ATOM 551 C MET A 284 -8.394 -3.570 9.770 1.00 0.22 C ATOM 552 O MET A 284 -8.765 -3.322 8.621 1.00 0.23 O ATOM 553 CB MET A 284 -6.870 -1.695 10.436 1.00 0.24 C ATOM 554 CG MET A 284 -5.599 -1.274 11.157 1.00 0.35 C ATOM 555 SD MET A 284 -5.462 -2.002 12.802 1.00 0.54 S ATOM 556 CE MET A 284 -4.116 -3.159 12.555 1.00 0.74 C ATOM 0 H MET A 284 -5.901 -3.030 8.448 1.00 0.20 H new ATOM 0 HA MET A 284 -6.786 -3.708 11.173 1.00 0.21 H new ATOM 0 HB2 MET A 284 -6.909 -1.198 9.467 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.732 -1.349 11.006 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.734 -1.566 10.561 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.576 -0.188 11.241 1.00 0.35 H new ATOM 0 HE1 MET A 284 -4.270 -4.036 13.184 1.00 0.74 H new ATOM 0 HE2 MET A 284 -4.085 -3.463 11.509 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.173 -2.682 12.822 1.00 0.74 H new ATOM 566 N LYS A 285 -9.164 -4.161 10.675 1.00 0.28 N ATOM 567 CA LYS A 285 -10.530 -4.570 10.378 1.00 0.33 C ATOM 568 C LYS A 285 -11.400 -3.356 10.067 1.00 0.33 C ATOM 569 O LYS A 285 -11.382 -2.366 10.798 1.00 0.46 O ATOM 570 CB LYS A 285 -11.109 -5.355 11.559 1.00 0.43 C ATOM 571 CG LYS A 285 -12.317 -6.205 11.199 1.00 0.49 C ATOM 572 CD LYS A 285 -11.961 -7.274 10.180 1.00 0.63 C ATOM 573 CE LYS A 285 -13.089 -8.274 9.998 1.00 0.83 C ATOM 574 NZ LYS A 285 -14.367 -7.620 9.609 1.00 1.01 N ATOM 0 H LYS A 285 -8.862 -4.369 11.627 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.518 -5.214 9.498 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.332 -6.000 11.970 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.391 -4.655 12.345 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -12.713 -6.676 12.099 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -13.106 -5.568 10.799 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -11.734 -6.804 9.223 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -11.060 -7.796 10.500 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -12.808 -9.000 9.235 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -13.234 -8.827 10.926 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -15.064 -8.347 9.349 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -14.730 -7.063 10.409 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -14.202 -6.992 8.797 1.00 1.01 H new ATOM 588 N GLY A 286 -12.147 -3.432 8.976 1.00 0.33 N ATOM 589 CA GLY A 286 -13.003 -2.329 8.585 1.00 0.35 C ATOM 590 C GLY A 286 -12.418 -1.542 7.432 1.00 0.30 C ATOM 591 O GLY A 286 -13.122 -0.789 6.758 1.00 0.36 O ATOM 0 H GLY A 286 -12.176 -4.239 8.353 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -13.983 -2.713 8.302 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -13.154 -1.667 9.437 1.00 0.35 H new ATOM 595 N GLY A 287 -11.126 -1.729 7.200 1.00 0.26 N ATOM 596 CA GLY A 287 -10.456 -1.035 6.126 1.00 0.24 C ATOM 597 C GLY A 287 -10.796 -1.613 4.770 1.00 0.22 C ATOM 598 O GLY A 287 -11.329 -2.720 4.674 1.00 0.24 O ATOM 0 H GLY A 287 -10.529 -2.354 7.742 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.732 0.019 6.149 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.378 -1.085 6.280 1.00 0.24 H new ATOM 602 N ALA A 288 -10.479 -0.867 3.720 1.00 0.21 N ATOM 603 CA ALA A 288 -10.752 -1.302 2.359 1.00 0.22 C ATOM 604 C ALA A 288 -9.975 -2.572 2.022 1.00 0.22 C ATOM 605 O ALA A 288 -10.445 -3.409 1.248 1.00 0.25 O ATOM 606 CB ALA A 288 -10.418 -0.194 1.374 1.00 0.24 C ATOM 0 H ALA A 288 -10.030 0.047 3.787 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.815 -1.530 2.282 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.627 -0.534 0.360 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -11.025 0.684 1.595 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.362 0.063 1.460 1.00 0.24 H new ATOM 612 N VAL A 289 -8.795 -2.715 2.617 1.00 0.20 N ATOM 613 CA VAL A 289 -7.952 -3.884 2.383 1.00 0.21 C ATOM 614 C VAL A 289 -8.562 -5.129 3.023 1.00 0.23 C ATOM 615 O VAL A 289 -8.594 -6.201 2.416 1.00 0.26 O ATOM 616 CB VAL A 289 -6.527 -3.670 2.939 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.663 -4.907 2.723 1.00 0.23 C ATOM 618 CG2 VAL A 289 -5.883 -2.453 2.295 1.00 0.20 C ATOM 0 H VAL A 289 -8.400 -2.035 3.266 1.00 0.20 H new ATOM 0 HA VAL A 289 -7.890 -4.026 1.304 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.606 -3.497 4.012 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.665 -4.728 3.124 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.112 -5.758 3.234 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.593 -5.120 1.656 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -4.879 -2.316 2.698 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -5.824 -2.600 1.217 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.483 -1.568 2.508 1.00 0.20 H new ATOM 628 N ALA A 290 -9.070 -4.969 4.242 1.00 0.23 N ATOM 629 CA ALA A 290 -9.681 -6.074 4.974 1.00 0.27 C ATOM 630 C ALA A 290 -10.957 -6.552 4.288 1.00 0.29 C ATOM 631 O ALA A 290 -11.441 -7.655 4.545 1.00 0.37 O ATOM 632 CB ALA A 290 -9.973 -5.658 6.408 1.00 0.29 C ATOM 0 H ALA A 290 -9.070 -4.082 4.745 1.00 0.23 H new ATOM 0 HA ALA A 290 -8.975 -6.904 4.984 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.429 -6.491 6.943 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.043 -5.375 6.901 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.657 -4.809 6.409 1.00 0.29 H new ATOM 638 N ALA A 291 -11.500 -5.715 3.416 1.00 0.29 N ATOM 639 CA ALA A 291 -12.711 -6.052 2.687 1.00 0.32 C ATOM 640 C ALA A 291 -12.398 -6.901 1.460 1.00 0.32 C ATOM 641 O ALA A 291 -13.294 -7.496 0.863 1.00 0.41 O ATOM 642 CB ALA A 291 -13.448 -4.789 2.277 1.00 0.38 C ATOM 0 H ALA A 291 -11.119 -4.795 3.197 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.350 -6.637 3.349 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.353 -5.057 1.732 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.716 -4.219 3.167 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -12.805 -4.184 1.638 1.00 0.38 H new ATOM 648 N ASP A 292 -11.128 -6.957 1.088 1.00 0.31 N ATOM 649 CA ASP A 292 -10.715 -7.733 -0.070 1.00 0.32 C ATOM 650 C ASP A 292 -10.341 -9.153 0.337 1.00 0.30 C ATOM 651 O ASP A 292 -11.103 -10.090 0.103 1.00 0.38 O ATOM 652 CB ASP A 292 -9.542 -7.069 -0.788 1.00 0.37 C ATOM 653 CG ASP A 292 -9.240 -7.741 -2.110 1.00 0.43 C ATOM 654 OD1 ASP A 292 -9.871 -7.373 -3.121 1.00 0.55 O ATOM 655 OD2 ASP A 292 -8.390 -8.650 -2.138 1.00 0.45 O ATOM 0 H ASP A 292 -10.368 -6.476 1.570 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.560 -7.775 -0.757 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.769 -6.017 -0.959 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.658 -7.106 -0.151 1.00 0.37 H new ATOM 660 N GLY A 293 -9.166 -9.313 0.935 1.00 0.29 N ATOM 661 CA GLY A 293 -8.742 -10.627 1.379 1.00 0.33 C ATOM 662 C GLY A 293 -7.528 -11.163 0.638 1.00 0.33 C ATOM 663 O GLY A 293 -6.849 -12.063 1.139 1.00 0.39 O ATOM 0 H GLY A 293 -8.503 -8.560 1.119 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.516 -10.585 2.445 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.569 -11.326 1.256 1.00 0.33 H new ATOM 667 N ARG A 294 -7.242 -10.626 -0.543 1.00 0.31 N ATOM 668 CA ARG A 294 -6.100 -11.091 -1.328 1.00 0.32 C ATOM 669 C ARG A 294 -4.789 -10.545 -0.773 1.00 0.30 C ATOM 670 O ARG A 294 -3.734 -11.163 -0.926 1.00 0.37 O ATOM 671 CB ARG A 294 -6.254 -10.696 -2.799 1.00 0.35 C ATOM 672 CG ARG A 294 -7.249 -11.562 -3.555 1.00 0.41 C ATOM 673 CD ARG A 294 -7.611 -10.961 -4.902 1.00 0.44 C ATOM 674 NE ARG A 294 -8.521 -9.823 -4.766 1.00 0.43 N ATOM 675 CZ ARG A 294 -9.326 -9.398 -5.739 1.00 0.54 C ATOM 676 NH1 ARG A 294 -9.304 -9.991 -6.924 1.00 0.68 N ATOM 677 NH2 ARG A 294 -10.134 -8.366 -5.531 1.00 0.58 N ATOM 0 H ARG A 294 -7.779 -9.875 -0.977 1.00 0.31 H new ATOM 0 HA ARG A 294 -6.074 -12.178 -1.258 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.572 -9.655 -2.857 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.282 -10.760 -3.289 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.827 -12.556 -3.702 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -8.152 -11.684 -2.957 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.703 -10.640 -5.412 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -8.075 -11.724 -5.527 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.540 -9.327 -3.875 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.671 -10.773 -7.091 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -9.920 -9.666 -7.669 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -10.139 -7.897 -4.625 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -10.750 -8.042 -6.277 1.00 0.58 H new ATOM 691 N ILE A 295 -4.861 -9.389 -0.134 1.00 0.26 N ATOM 692 CA ILE A 295 -3.681 -8.768 0.453 1.00 0.25 C ATOM 693 C ILE A 295 -3.480 -9.276 1.877 1.00 0.25 C ATOM 694 O ILE A 295 -4.441 -9.405 2.639 1.00 0.29 O ATOM 695 CB ILE A 295 -3.797 -7.229 0.467 1.00 0.25 C ATOM 696 CG1 ILE A 295 -4.168 -6.710 -0.924 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.491 -6.599 0.938 1.00 0.27 C ATOM 698 CD1 ILE A 295 -4.421 -5.218 -0.973 1.00 0.37 C ATOM 0 H ILE A 295 -5.724 -8.860 -0.008 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.823 -9.039 -0.162 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.586 -6.949 1.164 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -3.365 -6.956 -1.619 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -5.060 -7.232 -1.270 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.591 -5.514 0.942 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.263 -6.946 1.946 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.684 -6.887 0.264 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.678 -4.926 -1.991 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -5.244 -4.966 -0.304 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.523 -4.686 -0.659 1.00 0.37 H new ATOM 710 N GLU A 296 -2.240 -9.579 2.224 1.00 0.24 N ATOM 711 CA GLU A 296 -1.913 -10.084 3.549 1.00 0.26 C ATOM 712 C GLU A 296 -0.631 -9.430 4.072 1.00 0.24 C ATOM 713 O GLU A 296 0.139 -8.856 3.299 1.00 0.22 O ATOM 714 CB GLU A 296 -1.744 -11.609 3.495 1.00 0.31 C ATOM 715 CG GLU A 296 -0.472 -12.060 2.798 1.00 0.36 C ATOM 716 CD GLU A 296 -0.545 -13.497 2.345 1.00 0.49 C ATOM 717 OE1 GLU A 296 -1.414 -13.809 1.505 1.00 0.56 O ATOM 718 OE2 GLU A 296 0.261 -14.321 2.819 1.00 0.69 O ATOM 0 H GLU A 296 -1.437 -9.483 1.602 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.727 -9.837 4.230 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -1.749 -12.002 4.512 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -2.602 -12.042 2.981 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.286 -11.419 1.936 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.373 -11.937 3.475 1.00 0.36 H new ATOM 725 N PRO A 297 -0.398 -9.475 5.394 1.00 0.26 N ATOM 726 CA PRO A 297 0.811 -8.909 5.994 1.00 0.27 C ATOM 727 C PRO A 297 2.061 -9.589 5.444 1.00 0.27 C ATOM 728 O PRO A 297 2.279 -10.785 5.660 1.00 0.41 O ATOM 729 CB PRO A 297 0.648 -9.196 7.489 1.00 0.32 C ATOM 730 CG PRO A 297 -0.805 -9.444 7.685 1.00 0.34 C ATOM 731 CD PRO A 297 -1.291 -10.063 6.407 1.00 0.32 C ATOM 0 HA PRO A 297 0.929 -7.847 5.779 1.00 0.27 H new ATOM 0 HB2 PRO A 297 1.239 -10.061 7.790 1.00 0.32 H new ATOM 0 HB3 PRO A 297 0.988 -8.353 8.091 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -0.977 -10.109 8.532 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.335 -8.515 7.896 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.214 -11.150 6.430 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.336 -9.821 6.213 1.00 0.32 H new ATOM 739 N GLY A 298 2.865 -8.829 4.719 1.00 0.27 N ATOM 740 CA GLY A 298 4.074 -9.365 4.127 1.00 0.28 C ATOM 741 C GLY A 298 4.164 -9.039 2.652 1.00 0.25 C ATOM 742 O GLY A 298 5.244 -9.083 2.062 1.00 0.29 O ATOM 0 H GLY A 298 2.701 -7.841 4.528 1.00 0.27 H new ATOM 0 HA2 GLY A 298 4.944 -8.959 4.644 1.00 0.28 H new ATOM 0 HA3 GLY A 298 4.098 -10.446 4.263 1.00 0.28 H new ATOM 746 N ASP A 299 3.019 -8.720 2.059 1.00 0.22 N ATOM 747 CA ASP A 299 2.957 -8.367 0.644 1.00 0.22 C ATOM 748 C ASP A 299 3.705 -7.062 0.400 1.00 0.20 C ATOM 749 O ASP A 299 3.684 -6.161 1.241 1.00 0.21 O ATOM 750 CB ASP A 299 1.505 -8.210 0.173 1.00 0.24 C ATOM 751 CG ASP A 299 0.733 -9.518 0.110 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.353 -10.592 -0.005 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.514 -9.472 0.162 1.00 0.28 O ATOM 0 H ASP A 299 2.118 -8.698 2.537 1.00 0.22 H new ATOM 0 HA ASP A 299 3.422 -9.174 0.078 1.00 0.22 H new ATOM 0 HB2 ASP A 299 0.987 -7.526 0.845 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.502 -7.749 -0.815 1.00 0.24 H new ATOM 758 N MET A 300 4.371 -6.962 -0.740 1.00 0.21 N ATOM 759 CA MET A 300 5.116 -5.755 -1.072 1.00 0.21 C ATOM 760 C MET A 300 4.332 -4.905 -2.065 1.00 0.19 C ATOM 761 O MET A 300 3.774 -5.424 -3.031 1.00 0.21 O ATOM 762 CB MET A 300 6.493 -6.102 -1.650 1.00 0.27 C ATOM 763 CG MET A 300 7.432 -4.905 -1.723 1.00 0.32 C ATOM 764 SD MET A 300 9.107 -5.356 -2.213 1.00 0.50 S ATOM 765 CE MET A 300 8.965 -5.304 -3.998 1.00 1.26 C ATOM 0 H MET A 300 4.412 -7.696 -1.447 1.00 0.21 H new ATOM 0 HA MET A 300 5.262 -5.185 -0.154 1.00 0.21 H new ATOM 0 HB2 MET A 300 6.952 -6.879 -1.038 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.366 -6.518 -2.650 1.00 0.27 H new ATOM 0 HG2 MET A 300 7.034 -4.180 -2.433 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.463 -4.414 -0.750 1.00 0.32 H new ATOM 0 HE1 MET A 300 9.924 -5.561 -4.447 1.00 1.26 H new ATOM 0 HE2 MET A 300 8.209 -6.018 -4.324 1.00 1.26 H new ATOM 0 HE3 MET A 300 8.675 -4.301 -4.311 1.00 1.26 H new ATOM 775 N LEU A 301 4.292 -3.604 -1.823 1.00 0.19 N ATOM 776 CA LEU A 301 3.577 -2.691 -2.697 1.00 0.19 C ATOM 777 C LEU A 301 4.474 -2.240 -3.843 1.00 0.20 C ATOM 778 O LEU A 301 5.542 -1.674 -3.617 1.00 0.24 O ATOM 779 CB LEU A 301 3.088 -1.474 -1.910 1.00 0.23 C ATOM 780 CG LEU A 301 1.922 -1.737 -0.953 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.788 -0.601 0.050 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.627 -1.912 -1.733 1.00 0.47 C ATOM 0 H LEU A 301 4.747 -3.157 -1.027 1.00 0.19 H new ATOM 0 HA LEU A 301 2.715 -3.215 -3.109 1.00 0.19 H new ATOM 0 HB2 LEU A 301 3.924 -1.074 -1.336 1.00 0.23 H new ATOM 0 HB3 LEU A 301 2.788 -0.701 -2.618 1.00 0.23 H new ATOM 0 HG LEU A 301 2.125 -2.657 -0.405 1.00 0.33 H new ATOM 0 HD11 LEU A 301 0.954 -0.805 0.722 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.708 -0.516 0.629 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.606 0.333 -0.481 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.193 -2.098 -1.040 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.421 -1.007 -2.304 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.724 -2.757 -2.415 1.00 0.47 H new ATOM 794 N LEU A 302 4.042 -2.511 -5.066 1.00 0.20 N ATOM 795 CA LEU A 302 4.805 -2.127 -6.245 1.00 0.22 C ATOM 796 C LEU A 302 4.276 -0.815 -6.812 1.00 0.22 C ATOM 797 O LEU A 302 4.851 0.253 -6.593 1.00 0.29 O ATOM 798 CB LEU A 302 4.721 -3.213 -7.320 1.00 0.27 C ATOM 799 CG LEU A 302 5.168 -4.608 -6.886 1.00 0.37 C ATOM 800 CD1 LEU A 302 4.690 -5.649 -7.887 1.00 0.53 C ATOM 801 CD2 LEU A 302 6.680 -4.661 -6.747 1.00 0.46 C ATOM 0 H LEU A 302 3.167 -2.995 -5.268 1.00 0.20 H new ATOM 0 HA LEU A 302 5.846 -2.001 -5.947 1.00 0.22 H new ATOM 0 HB2 LEU A 302 3.690 -3.274 -7.670 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.329 -2.905 -8.171 1.00 0.27 H new ATOM 0 HG LEU A 302 4.725 -4.829 -5.915 1.00 0.37 H new ATOM 0 HD11 LEU A 302 5.015 -6.639 -7.566 1.00 0.53 H new ATOM 0 HD12 LEU A 302 3.602 -5.626 -7.945 1.00 0.53 H new ATOM 0 HD13 LEU A 302 5.110 -5.430 -8.869 1.00 0.53 H new ATOM 0 HD21 LEU A 302 6.982 -5.661 -6.437 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.142 -4.423 -7.705 1.00 0.46 H new ATOM 0 HD23 LEU A 302 7.002 -3.937 -5.999 1.00 0.46 H new ATOM 813 N GLN A 303 3.159 -0.905 -7.519 1.00 0.21 N ATOM 814 CA GLN A 303 2.546 0.258 -8.129 1.00 0.22 C ATOM 815 C GLN A 303 1.194 0.538 -7.495 1.00 0.21 C ATOM 816 O GLN A 303 0.355 -0.360 -7.365 1.00 0.25 O ATOM 817 CB GLN A 303 2.382 0.048 -9.637 1.00 0.27 C ATOM 818 CG GLN A 303 1.688 1.204 -10.339 1.00 0.32 C ATOM 819 CD GLN A 303 0.938 0.780 -11.588 1.00 0.51 C ATOM 820 OE1 GLN A 303 -0.113 1.336 -11.909 1.00 0.68 O ATOM 821 NE2 GLN A 303 1.472 -0.190 -12.311 1.00 0.73 N ATOM 0 H GLN A 303 2.659 -1.779 -7.683 1.00 0.21 H new ATOM 0 HA GLN A 303 3.198 1.116 -7.963 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.365 -0.101 -10.084 1.00 0.27 H new ATOM 0 HB3 GLN A 303 1.812 -0.865 -9.809 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.991 1.675 -9.647 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.430 1.957 -10.606 1.00 0.32 H new ATOM 0 HE21 GLN A 303 2.344 -0.627 -12.013 1.00 0.73 H new ATOM 0 HE22 GLN A 303 1.012 -0.501 -13.166 1.00 0.73 H new ATOM 830 N VAL A 304 0.994 1.776 -7.088 1.00 0.20 N ATOM 831 CA VAL A 304 -0.259 2.189 -6.488 1.00 0.21 C ATOM 832 C VAL A 304 -0.838 3.348 -7.279 1.00 0.22 C ATOM 833 O VAL A 304 -0.445 4.495 -7.080 1.00 0.26 O ATOM 834 CB VAL A 304 -0.090 2.603 -5.010 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.414 3.078 -4.430 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.470 1.449 -4.195 1.00 0.27 C ATOM 0 H VAL A 304 1.689 2.519 -7.163 1.00 0.20 H new ATOM 0 HA VAL A 304 -0.936 1.335 -6.513 1.00 0.21 H new ATOM 0 HB VAL A 304 0.617 3.431 -4.964 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.273 3.365 -3.388 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.773 3.937 -4.997 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.147 2.273 -4.489 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.583 1.758 -3.156 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.212 0.601 -4.249 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.442 1.159 -4.595 1.00 0.27 H new ATOM 846 N ASN A 305 -1.758 3.032 -8.183 1.00 0.27 N ATOM 847 CA ASN A 305 -2.404 4.032 -9.028 1.00 0.33 C ATOM 848 C ASN A 305 -1.393 4.726 -9.939 1.00 0.31 C ATOM 849 O ASN A 305 -1.028 5.880 -9.705 1.00 0.34 O ATOM 850 CB ASN A 305 -3.151 5.078 -8.190 1.00 0.39 C ATOM 851 CG ASN A 305 -4.371 4.515 -7.490 1.00 0.78 C ATOM 852 OD1 ASN A 305 -5.449 4.416 -8.072 1.00 1.71 O ATOM 853 ND2 ASN A 305 -4.213 4.156 -6.229 1.00 1.14 N ATOM 0 H ASN A 305 -2.077 2.078 -8.351 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.128 3.503 -9.648 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -2.471 5.492 -7.446 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -3.457 5.901 -8.835 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -5.002 3.781 -5.703 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -3.302 4.254 -5.781 1.00 1.14 H new ATOM 860 N ASP A 306 -0.917 3.992 -10.948 1.00 0.32 N ATOM 861 CA ASP A 306 0.031 4.509 -11.952 1.00 0.35 C ATOM 862 C ASP A 306 1.459 4.679 -11.424 1.00 0.31 C ATOM 863 O ASP A 306 2.410 4.251 -12.077 1.00 0.35 O ATOM 864 CB ASP A 306 -0.464 5.830 -12.554 1.00 0.42 C ATOM 865 CG ASP A 306 -1.574 5.627 -13.563 1.00 0.66 C ATOM 866 OD1 ASP A 306 -1.317 5.010 -14.617 1.00 1.06 O ATOM 867 OD2 ASP A 306 -2.713 6.081 -13.305 1.00 1.11 O ATOM 0 H ASP A 306 -1.177 3.017 -11.097 1.00 0.32 H new ATOM 0 HA ASP A 306 0.072 3.746 -12.729 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -0.819 6.480 -11.754 1.00 0.42 H new ATOM 0 HB3 ASP A 306 0.370 6.342 -13.034 1.00 0.42 H new ATOM 872 N VAL A 307 1.625 5.303 -10.265 1.00 0.30 N ATOM 873 CA VAL A 307 2.963 5.519 -9.714 1.00 0.29 C ATOM 874 C VAL A 307 3.569 4.225 -9.168 1.00 0.25 C ATOM 875 O VAL A 307 2.960 3.527 -8.352 1.00 0.28 O ATOM 876 CB VAL A 307 2.974 6.613 -8.618 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.697 7.976 -9.228 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.967 6.313 -7.522 1.00 0.53 C ATOM 0 H VAL A 307 0.863 5.666 -9.692 1.00 0.30 H new ATOM 0 HA VAL A 307 3.579 5.865 -10.544 1.00 0.29 H new ATOM 0 HB VAL A 307 3.966 6.621 -8.167 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.708 8.734 -8.445 1.00 0.71 H new ATOM 0 HG12 VAL A 307 3.464 8.207 -9.967 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.720 7.967 -9.710 1.00 0.71 H new ATOM 0 HG21 VAL A 307 2.002 7.101 -6.770 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.966 6.265 -7.951 1.00 0.53 H new ATOM 0 HG23 VAL A 307 2.209 5.357 -7.057 1.00 0.53 H new ATOM 888 N ASN A 308 4.763 3.900 -9.653 1.00 0.25 N ATOM 889 CA ASN A 308 5.476 2.701 -9.229 1.00 0.25 C ATOM 890 C ASN A 308 6.589 3.080 -8.256 1.00 0.24 C ATOM 891 O ASN A 308 7.462 3.881 -8.585 1.00 0.33 O ATOM 892 CB ASN A 308 6.051 1.971 -10.451 1.00 0.33 C ATOM 893 CG ASN A 308 6.698 0.643 -10.100 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.498 0.105 -9.013 1.00 0.58 O ATOM 895 ND2 ASN A 308 7.468 0.099 -11.028 1.00 0.74 N ATOM 0 H ASN A 308 5.261 4.457 -10.347 1.00 0.25 H new ATOM 0 HA ASN A 308 4.783 2.030 -8.722 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.253 1.800 -11.174 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.788 2.611 -10.936 1.00 0.33 H new ATOM 0 HD21 ASN A 308 7.920 -0.798 -10.854 1.00 0.74 H new ATOM 0 HD22 ASN A 308 7.609 0.577 -11.918 1.00 0.74 H new ATOM 902 N PHE A 309 6.566 2.487 -7.068 1.00 0.22 N ATOM 903 CA PHE A 309 7.549 2.801 -6.032 1.00 0.24 C ATOM 904 C PHE A 309 8.774 1.890 -6.095 1.00 0.26 C ATOM 905 O PHE A 309 9.634 1.938 -5.214 1.00 0.30 O ATOM 906 CB PHE A 309 6.901 2.699 -4.648 1.00 0.28 C ATOM 907 CG PHE A 309 5.641 3.513 -4.506 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.638 4.868 -4.802 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.462 2.922 -4.078 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.484 5.618 -4.672 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.305 3.669 -3.946 1.00 0.33 C ATOM 912 CZ PHE A 309 3.316 5.017 -4.245 1.00 0.33 C ATOM 0 H PHE A 309 5.878 1.785 -6.796 1.00 0.22 H new ATOM 0 HA PHE A 309 7.890 3.821 -6.211 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.673 1.654 -4.440 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.620 3.024 -3.896 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.548 5.343 -5.138 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.447 1.867 -3.845 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.496 6.673 -4.904 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.393 3.198 -3.609 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.413 5.601 -4.145 1.00 0.33 H new ATOM 922 N GLU A 310 8.866 1.077 -7.140 1.00 0.29 N ATOM 923 CA GLU A 310 9.995 0.159 -7.303 1.00 0.33 C ATOM 924 C GLU A 310 11.334 0.896 -7.383 1.00 0.35 C ATOM 925 O GLU A 310 12.387 0.319 -7.108 1.00 0.47 O ATOM 926 CB GLU A 310 9.820 -0.685 -8.563 1.00 0.40 C ATOM 927 CG GLU A 310 9.065 -1.986 -8.337 1.00 0.54 C ATOM 928 CD GLU A 310 9.026 -2.849 -9.580 1.00 0.67 C ATOM 929 OE1 GLU A 310 8.411 -2.427 -10.582 1.00 1.04 O ATOM 930 OE2 GLU A 310 9.607 -3.953 -9.566 1.00 1.21 O ATOM 0 H GLU A 310 8.175 1.032 -7.889 1.00 0.29 H new ATOM 0 HA GLU A 310 10.007 -0.481 -6.421 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.291 -0.096 -9.312 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.803 -0.914 -8.974 1.00 0.40 H new ATOM 0 HG2 GLU A 310 9.536 -2.541 -7.526 1.00 0.54 H new ATOM 0 HG3 GLU A 310 8.046 -1.762 -8.020 1.00 0.54 H new ATOM 937 N ASN A 311 11.298 2.164 -7.765 1.00 0.35 N ATOM 938 CA ASN A 311 12.521 2.951 -7.882 1.00 0.41 C ATOM 939 C ASN A 311 12.448 4.213 -7.026 1.00 0.37 C ATOM 940 O ASN A 311 12.918 5.277 -7.430 1.00 0.48 O ATOM 941 CB ASN A 311 12.780 3.317 -9.346 1.00 0.54 C ATOM 942 CG ASN A 311 13.206 2.124 -10.183 1.00 0.89 C ATOM 943 OD1 ASN A 311 14.382 1.755 -10.209 1.00 1.27 O ATOM 944 ND2 ASN A 311 12.254 1.520 -10.880 1.00 1.32 N ATOM 0 H ASN A 311 10.443 2.669 -7.998 1.00 0.35 H new ATOM 0 HA ASN A 311 13.349 2.343 -7.518 1.00 0.41 H new ATOM 0 HB2 ASN A 311 11.876 3.751 -9.773 1.00 0.54 H new ATOM 0 HB3 ASN A 311 13.554 4.083 -9.393 1.00 0.54 H new ATOM 0 HD21 ASN A 311 12.483 0.717 -11.466 1.00 1.32 H new ATOM 0 HD22 ASN A 311 11.293 1.858 -10.830 1.00 1.32 H new ATOM 951 N MET A 312 11.843 4.093 -5.850 1.00 0.30 N ATOM 952 CA MET A 312 11.719 5.218 -4.928 1.00 0.28 C ATOM 953 C MET A 312 12.138 4.788 -3.528 1.00 0.26 C ATOM 954 O MET A 312 12.248 3.592 -3.250 1.00 0.34 O ATOM 955 CB MET A 312 10.280 5.747 -4.913 1.00 0.28 C ATOM 956 CG MET A 312 9.868 6.423 -6.212 1.00 0.39 C ATOM 957 SD MET A 312 8.146 6.963 -6.215 1.00 0.37 S ATOM 958 CE MET A 312 8.185 8.206 -4.927 1.00 0.51 C ATOM 0 H MET A 312 11.429 3.225 -5.511 1.00 0.30 H new ATOM 0 HA MET A 312 12.375 6.021 -5.265 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.599 4.920 -4.711 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.171 6.457 -4.093 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.513 7.284 -6.387 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.027 5.732 -7.040 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.515 9.025 -5.191 1.00 0.51 H new ATOM 0 HE2 MET A 312 7.863 7.763 -3.984 1.00 0.51 H new ATOM 0 HE3 MET A 312 9.200 8.588 -4.821 1.00 0.51 H new ATOM 968 N SER A 313 12.394 5.751 -2.655 1.00 0.26 N ATOM 969 CA SER A 313 12.796 5.442 -1.291 1.00 0.28 C ATOM 970 C SER A 313 11.584 5.038 -0.462 1.00 0.24 C ATOM 971 O SER A 313 10.457 5.417 -0.780 1.00 0.26 O ATOM 972 CB SER A 313 13.500 6.644 -0.657 1.00 0.36 C ATOM 973 OG SER A 313 12.854 7.860 -1.002 1.00 0.97 O ATOM 0 H SER A 313 12.331 6.747 -2.865 1.00 0.26 H new ATOM 0 HA SER A 313 13.495 4.606 -1.315 1.00 0.28 H new ATOM 0 HB2 SER A 313 13.512 6.531 0.427 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.539 6.675 -0.986 1.00 0.36 H new ATOM 0 HG SER A 313 13.324 8.611 -0.582 1.00 0.97 H new ATOM 979 N ASN A 314 11.825 4.271 0.597 1.00 0.26 N ATOM 980 CA ASN A 314 10.753 3.808 1.478 1.00 0.27 C ATOM 981 C ASN A 314 9.893 4.971 1.952 1.00 0.25 C ATOM 982 O ASN A 314 8.665 4.904 1.921 1.00 0.33 O ATOM 983 CB ASN A 314 11.332 3.080 2.693 1.00 0.35 C ATOM 984 CG ASN A 314 12.017 1.781 2.326 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.666 1.129 1.347 1.00 0.45 O ATOM 986 ND2 ASN A 314 13.008 1.399 3.111 1.00 0.48 N ATOM 0 H ASN A 314 12.756 3.955 0.868 1.00 0.26 H new ATOM 0 HA ASN A 314 10.131 3.120 0.905 1.00 0.27 H new ATOM 0 HB2 ASN A 314 12.046 3.733 3.196 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.531 2.875 3.404 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.511 0.534 2.913 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.270 1.969 3.916 1.00 0.48 H new ATOM 993 N ASP A 315 10.550 6.038 2.379 1.00 0.26 N ATOM 994 CA ASP A 315 9.865 7.229 2.863 1.00 0.28 C ATOM 995 C ASP A 315 8.995 7.854 1.781 1.00 0.23 C ATOM 996 O ASP A 315 7.809 8.101 1.996 1.00 0.24 O ATOM 997 CB ASP A 315 10.878 8.260 3.362 1.00 0.37 C ATOM 998 CG ASP A 315 11.503 7.869 4.684 1.00 0.83 C ATOM 999 OD1 ASP A 315 12.314 6.922 4.703 1.00 1.40 O ATOM 1000 OD2 ASP A 315 11.188 8.511 5.707 1.00 1.36 O ATOM 0 H ASP A 315 11.568 6.104 2.400 1.00 0.26 H new ATOM 0 HA ASP A 315 9.220 6.922 3.686 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.663 8.384 2.616 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.385 9.226 3.469 1.00 0.37 H new ATOM 1005 N ASP A 316 9.578 8.089 0.611 1.00 0.23 N ATOM 1006 CA ASP A 316 8.853 8.704 -0.501 1.00 0.24 C ATOM 1007 C ASP A 316 7.722 7.814 -0.999 1.00 0.19 C ATOM 1008 O ASP A 316 6.669 8.307 -1.407 1.00 0.20 O ATOM 1009 CB ASP A 316 9.803 9.017 -1.650 1.00 0.32 C ATOM 1010 CG ASP A 316 10.352 10.427 -1.581 1.00 0.50 C ATOM 1011 OD1 ASP A 316 9.687 11.301 -0.989 1.00 0.69 O ATOM 1012 OD2 ASP A 316 11.456 10.664 -2.115 1.00 0.88 O ATOM 0 H ASP A 316 10.551 7.864 0.405 1.00 0.23 H new ATOM 0 HA ASP A 316 8.416 9.631 -0.129 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.630 8.307 -1.637 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.281 8.880 -2.597 1.00 0.32 H new ATOM 1017 N ALA A 317 7.943 6.508 -0.960 1.00 0.17 N ATOM 1018 CA ALA A 317 6.945 5.545 -1.401 1.00 0.16 C ATOM 1019 C ALA A 317 5.638 5.724 -0.634 1.00 0.14 C ATOM 1020 O ALA A 317 4.561 5.774 -1.225 1.00 0.17 O ATOM 1021 CB ALA A 317 7.471 4.128 -1.229 1.00 0.20 C ATOM 0 H ALA A 317 8.811 6.089 -0.625 1.00 0.17 H new ATOM 0 HA ALA A 317 6.744 5.720 -2.458 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.715 3.416 -1.562 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.376 4.001 -1.823 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.699 3.950 -0.178 1.00 0.20 H new ATOM 1027 N VAL A 318 5.737 5.846 0.686 1.00 0.12 N ATOM 1028 CA VAL A 318 4.548 6.017 1.510 1.00 0.12 C ATOM 1029 C VAL A 318 4.061 7.460 1.468 1.00 0.11 C ATOM 1030 O VAL A 318 2.883 7.731 1.703 1.00 0.14 O ATOM 1031 CB VAL A 318 4.777 5.589 2.973 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.446 5.294 3.648 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.695 4.379 3.042 1.00 0.21 C ATOM 0 H VAL A 318 6.617 5.830 1.202 1.00 0.12 H new ATOM 0 HA VAL A 318 3.784 5.363 1.089 1.00 0.12 H new ATOM 0 HB VAL A 318 5.261 6.410 3.503 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.621 4.993 4.681 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.823 6.189 3.631 1.00 0.18 H new ATOM 0 HG13 VAL A 318 2.939 4.489 3.116 1.00 0.18 H new ATOM 0 HG21 VAL A 318 5.843 4.094 4.083 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.244 3.549 2.499 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.657 4.626 2.593 1.00 0.21 H new ATOM 1043 N ARG A 319 4.970 8.388 1.171 1.00 0.12 N ATOM 1044 CA ARG A 319 4.609 9.800 1.070 1.00 0.16 C ATOM 1045 C ARG A 319 3.523 9.971 0.018 1.00 0.14 C ATOM 1046 O ARG A 319 2.502 10.609 0.260 1.00 0.22 O ATOM 1047 CB ARG A 319 5.822 10.664 0.700 1.00 0.21 C ATOM 1048 CG ARG A 319 6.720 11.016 1.878 1.00 0.35 C ATOM 1049 CD ARG A 319 7.868 11.916 1.446 1.00 0.40 C ATOM 1050 NE ARG A 319 8.740 12.283 2.560 1.00 0.50 N ATOM 1051 CZ ARG A 319 10.061 12.441 2.458 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.682 12.237 1.298 1.00 0.83 N ATOM 1053 NH2 ARG A 319 10.762 12.801 3.523 1.00 0.81 N ATOM 0 H ARG A 319 5.955 8.189 0.997 1.00 0.12 H new ATOM 0 HA ARG A 319 4.244 10.128 2.043 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.414 10.138 -0.049 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.470 11.586 0.238 1.00 0.21 H new ATOM 0 HG2 ARG A 319 6.133 11.515 2.649 1.00 0.35 H new ATOM 0 HG3 ARG A 319 7.117 10.103 2.321 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.455 11.409 0.681 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.465 12.821 0.991 1.00 0.40 H new ATOM 0 HE ARG A 319 8.311 12.428 3.474 1.00 0.50 H new ATOM 0 HH11 ARG A 319 10.147 11.957 0.476 1.00 0.83 H new ATOM 0 HH12 ARG A 319 11.692 12.361 1.232 1.00 0.83 H new ATOM 0 HH21 ARG A 319 10.292 12.956 4.415 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.772 12.923 3.451 1.00 0.81 H new ATOM 1067 N VAL A 320 3.747 9.373 -1.146 1.00 0.10 N ATOM 1068 CA VAL A 320 2.785 9.442 -2.237 1.00 0.10 C ATOM 1069 C VAL A 320 1.578 8.558 -1.931 1.00 0.09 C ATOM 1070 O VAL A 320 0.443 8.904 -2.260 1.00 0.11 O ATOM 1071 CB VAL A 320 3.416 9.005 -3.576 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.457 9.250 -4.733 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.736 9.729 -3.808 1.00 0.17 C ATOM 0 H VAL A 320 4.587 8.835 -1.358 1.00 0.10 H new ATOM 0 HA VAL A 320 2.466 10.480 -2.331 1.00 0.10 H new ATOM 0 HB VAL A 320 3.616 7.935 -3.524 1.00 0.14 H new ATOM 0 HG11 VAL A 320 2.924 8.934 -5.666 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.542 8.680 -4.574 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.218 10.312 -4.788 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.165 9.408 -4.757 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.561 10.805 -3.835 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.427 9.494 -2.999 1.00 0.17 H new ATOM 1083 N LEU A 321 1.834 7.420 -1.286 1.00 0.08 N ATOM 1084 CA LEU A 321 0.775 6.480 -0.925 1.00 0.09 C ATOM 1085 C LEU A 321 -0.298 7.166 -0.086 1.00 0.09 C ATOM 1086 O LEU A 321 -1.486 7.095 -0.404 1.00 0.10 O ATOM 1087 CB LEU A 321 1.355 5.294 -0.149 1.00 0.11 C ATOM 1088 CG LEU A 321 0.394 4.132 0.105 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.255 3.671 -1.189 1.00 0.38 C ATOM 1090 CD2 LEU A 321 1.131 2.984 0.771 1.00 0.29 C ATOM 0 H LEU A 321 2.769 7.127 -1.002 1.00 0.08 H new ATOM 0 HA LEU A 321 0.320 6.117 -1.847 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.219 4.914 -0.695 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.720 5.656 0.812 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.396 4.477 0.772 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -0.934 2.844 -0.981 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.813 4.497 -1.630 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.516 3.341 -1.885 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.439 2.161 0.948 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.939 2.645 0.122 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.545 3.320 1.721 1.00 0.29 H new ATOM 1102 N ARG A 322 0.133 7.849 0.972 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.790 8.544 1.859 1.00 0.12 C ATOM 1104 C ARG A 322 -1.540 9.641 1.113 1.00 0.13 C ATOM 1105 O ARG A 322 -2.713 9.895 1.384 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.049 9.125 3.065 1.00 0.15 C ATOM 1107 CG ARG A 322 0.557 8.065 3.971 1.00 0.19 C ATOM 1108 CD ARG A 322 0.690 8.565 5.401 1.00 0.34 C ATOM 1109 NE ARG A 322 -0.606 8.656 6.078 1.00 0.49 N ATOM 1110 CZ ARG A 322 -1.229 9.805 6.353 1.00 1.05 C ATOM 1111 NH1 ARG A 322 -0.687 10.964 5.999 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -2.401 9.792 6.978 1.00 1.28 N ATOM 0 H ARG A 322 1.115 7.935 1.234 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.519 7.819 2.220 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.743 9.786 2.712 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.739 9.737 3.646 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.066 7.171 3.953 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.538 7.778 3.592 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.343 7.895 5.959 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.166 9.545 5.399 1.00 0.34 H new ATOM 0 HE ARG A 322 -1.061 7.787 6.357 1.00 0.49 H new ATOM 0 HH11 ARG A 322 0.210 10.980 5.514 1.00 1.57 H new ATOM 0 HH12 ARG A 322 -1.168 11.838 6.212 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -2.825 8.905 7.248 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -2.877 10.669 7.188 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.861 10.269 0.162 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.459 11.329 -0.640 1.00 0.15 C ATOM 1128 C GLU A 323 -2.614 10.784 -1.472 1.00 0.14 C ATOM 1129 O GLU A 323 -3.701 11.364 -1.503 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.408 11.959 -1.555 1.00 0.20 C ATOM 1131 CG GLU A 323 0.422 13.032 -0.876 1.00 0.62 C ATOM 1132 CD GLU A 323 -0.383 14.275 -0.578 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -0.714 15.013 -1.530 1.00 1.76 O ATOM 1134 OE2 GLU A 323 -0.694 14.522 0.605 1.00 1.87 O ATOM 0 H GLU A 323 0.109 10.061 -0.074 1.00 0.12 H new ATOM 0 HA GLU A 323 -1.845 12.093 0.035 1.00 0.15 H new ATOM 0 HB2 GLU A 323 0.256 11.177 -1.925 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -0.906 12.391 -2.423 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.834 12.637 0.053 1.00 0.62 H new ATOM 0 HG3 GLU A 323 1.267 13.293 -1.513 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.379 9.655 -2.128 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.393 9.025 -2.962 1.00 0.14 C ATOM 1143 C ILE A 324 -4.593 8.582 -2.129 1.00 0.14 C ATOM 1144 O ILE A 324 -5.742 8.820 -2.504 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.818 7.815 -3.727 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.681 8.266 -4.647 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.910 7.118 -4.530 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.897 7.121 -5.248 1.00 0.29 C ATOM 0 H ILE A 324 -1.490 9.155 -2.098 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.722 9.771 -3.685 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.421 7.103 -3.003 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -2.095 8.873 -5.452 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -1.001 8.905 -4.084 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.484 6.268 -5.062 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.691 6.769 -3.855 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.337 7.818 -5.248 1.00 0.23 H new ATOM 0 HD11 ILE A 324 -0.108 7.516 -5.888 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.453 6.526 -4.450 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.564 6.494 -5.840 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.324 7.968 -0.980 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.386 7.491 -0.098 1.00 0.13 C ATOM 1162 C VAL A 325 -6.148 8.668 0.531 1.00 0.16 C ATOM 1163 O VAL A 325 -7.224 8.497 1.106 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.828 6.544 1.002 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.957 5.933 1.823 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.976 5.450 0.373 1.00 0.16 C ATOM 0 H VAL A 325 -3.380 7.789 -0.638 1.00 0.11 H new ATOM 0 HA VAL A 325 -6.086 6.918 -0.706 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.204 7.134 1.674 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.538 5.275 2.585 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.528 6.727 2.304 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.613 5.359 1.169 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.592 4.794 1.154 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.583 4.870 -0.322 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.142 5.902 -0.164 1.00 0.16 H new ATOM 1176 N SER A 326 -5.599 9.869 0.396 1.00 0.19 N ATOM 1177 CA SER A 326 -6.242 11.059 0.935 1.00 0.24 C ATOM 1178 C SER A 326 -7.280 11.606 -0.049 1.00 0.27 C ATOM 1179 O SER A 326 -8.001 12.558 0.257 1.00 0.44 O ATOM 1180 CB SER A 326 -5.196 12.127 1.266 1.00 0.32 C ATOM 1181 OG SER A 326 -4.391 11.729 2.365 1.00 0.37 O ATOM 0 H SER A 326 -4.714 10.044 -0.080 1.00 0.19 H new ATOM 0 HA SER A 326 -6.758 10.785 1.855 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.566 12.306 0.395 1.00 0.32 H new ATOM 0 HB3 SER A 326 -5.694 13.069 1.498 1.00 0.32 H new ATOM 0 HG SER A 326 -3.718 11.085 2.061 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.361 10.994 -1.225 1.00 0.27 N ATOM 1188 CA GLN A 327 -8.314 11.416 -2.244 1.00 0.32 C ATOM 1189 C GLN A 327 -9.503 10.459 -2.280 1.00 0.34 C ATOM 1190 O GLN A 327 -9.532 9.468 -1.552 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.636 11.480 -3.615 1.00 0.41 C ATOM 1192 CG GLN A 327 -7.531 12.891 -4.179 1.00 0.63 C ATOM 1193 CD GLN A 327 -6.481 13.738 -3.479 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -6.678 14.933 -3.254 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -5.353 13.135 -3.145 1.00 0.94 N ATOM 0 H GLN A 327 -6.777 10.203 -1.496 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.676 12.413 -1.993 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.636 11.054 -3.536 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -8.193 10.858 -4.316 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -7.294 12.834 -5.241 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -8.500 13.382 -4.095 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -5.225 12.143 -3.347 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -4.610 13.661 -2.685 1.00 0.94 H new ATOM 1204 N THR A 328 -10.485 10.763 -3.113 1.00 0.42 N ATOM 1205 CA THR A 328 -11.669 9.925 -3.232 1.00 0.49 C ATOM 1206 C THR A 328 -11.732 9.262 -4.602 1.00 0.51 C ATOM 1207 O THR A 328 -11.893 9.934 -5.622 1.00 0.84 O ATOM 1208 CB THR A 328 -12.953 10.745 -3.009 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.661 11.907 -2.219 1.00 0.88 O ATOM 1210 CG2 THR A 328 -14.020 9.911 -2.315 1.00 0.89 C ATOM 0 H THR A 328 -10.486 11.584 -3.718 1.00 0.42 H new ATOM 0 HA THR A 328 -11.598 9.156 -2.463 1.00 0.49 H new ATOM 0 HB THR A 328 -13.333 11.051 -3.984 1.00 0.66 H new ATOM 0 HG1 THR A 328 -13.482 12.425 -2.083 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.916 10.514 -2.170 1.00 0.89 H new ATOM 0 HG22 THR A 328 -14.262 9.044 -2.930 1.00 0.89 H new ATOM 0 HG23 THR A 328 -13.647 9.576 -1.347 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.586 7.943 -4.624 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.639 7.215 -5.874 1.00 0.44 C ATOM 1220 C GLY A 329 -11.146 5.792 -5.735 1.00 0.39 C ATOM 1221 O GLY A 329 -10.606 5.427 -4.692 1.00 0.43 O ATOM 0 H GLY A 329 -11.432 7.366 -3.797 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.665 7.207 -6.243 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -11.036 7.734 -6.619 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.342 4.956 -6.769 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.897 3.557 -6.751 1.00 0.39 C ATOM 1227 C PRO A 330 -9.379 3.451 -6.660 1.00 0.36 C ATOM 1228 O PRO A 330 -8.655 3.993 -7.501 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.394 2.999 -8.087 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.618 4.188 -8.954 1.00 0.58 C ATOM 1231 CD PRO A 330 -12.019 5.304 -8.033 1.00 0.52 C ATOM 0 HA PRO A 330 -11.282 3.014 -5.888 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.660 2.324 -8.528 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.314 2.429 -7.957 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -10.714 4.444 -9.506 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.397 3.992 -9.691 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -11.694 6.274 -8.410 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -13.101 5.356 -7.910 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.902 2.757 -5.640 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.472 2.603 -5.432 1.00 0.25 C ATOM 1241 C ILE A 331 -6.980 1.263 -5.970 1.00 0.25 C ATOM 1242 O ILE A 331 -7.371 0.203 -5.475 1.00 0.30 O ATOM 1243 CB ILE A 331 -7.114 2.731 -3.935 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.503 4.123 -3.420 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.628 2.469 -3.703 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.198 4.340 -1.954 1.00 0.35 C ATOM 0 H ILE A 331 -9.484 2.292 -4.943 1.00 0.27 H new ATOM 0 HA ILE A 331 -6.974 3.402 -5.981 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.676 1.979 -3.380 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.977 4.877 -4.006 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.569 4.277 -3.586 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.403 2.566 -2.641 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.380 1.461 -4.036 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -5.039 3.193 -4.266 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.501 5.346 -1.664 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.745 3.610 -1.357 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -6.128 4.220 -1.783 1.00 0.35 H new ATOM 1258 N SER A 332 -6.140 1.321 -6.996 1.00 0.28 N ATOM 1259 CA SER A 332 -5.579 0.123 -7.597 1.00 0.31 C ATOM 1260 C SER A 332 -4.266 -0.243 -6.911 1.00 0.27 C ATOM 1261 O SER A 332 -3.266 0.471 -7.031 1.00 0.31 O ATOM 1262 CB SER A 332 -5.358 0.346 -9.094 1.00 0.41 C ATOM 1263 OG SER A 332 -5.073 1.709 -9.363 1.00 1.09 O ATOM 0 H SER A 332 -5.832 2.192 -7.430 1.00 0.28 H new ATOM 0 HA SER A 332 -6.278 -0.703 -7.466 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.535 -0.278 -9.442 1.00 0.41 H new ATOM 0 HB3 SER A 332 -6.246 0.039 -9.647 1.00 0.41 H new ATOM 0 HG SER A 332 -4.933 1.830 -10.325 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.278 -1.347 -6.181 1.00 0.27 N ATOM 1270 CA LEU A 333 -3.094 -1.795 -5.468 1.00 0.26 C ATOM 1271 C LEU A 333 -2.451 -2.981 -6.166 1.00 0.26 C ATOM 1272 O LEU A 333 -3.085 -4.021 -6.353 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.442 -2.174 -4.024 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.875 -1.015 -3.126 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -4.272 -1.529 -1.756 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.763 0.009 -2.996 1.00 0.39 C ATOM 0 H LEU A 333 -5.094 -1.948 -6.067 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.384 -0.968 -5.458 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -4.242 -2.914 -4.044 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.574 -2.655 -3.574 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.737 -0.532 -3.586 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.578 -0.692 -1.128 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -5.101 -2.229 -1.856 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -3.423 -2.035 -1.297 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.093 0.825 -2.353 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.883 -0.463 -2.560 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -2.513 0.402 -3.981 1.00 0.39 H new ATOM 1288 N THR A 334 -1.203 -2.809 -6.566 1.00 0.24 N ATOM 1289 CA THR A 334 -0.453 -3.864 -7.219 1.00 0.26 C ATOM 1290 C THR A 334 0.560 -4.440 -6.235 1.00 0.26 C ATOM 1291 O THR A 334 1.630 -3.863 -6.023 1.00 0.28 O ATOM 1292 CB THR A 334 0.274 -3.337 -8.470 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.582 -2.437 -9.186 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.691 -4.480 -9.387 1.00 0.42 C ATOM 0 H THR A 334 -0.685 -1.939 -6.448 1.00 0.24 H new ATOM 0 HA THR A 334 -1.148 -4.641 -7.537 1.00 0.26 H new ATOM 0 HB THR A 334 1.172 -2.812 -8.144 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.513 -1.540 -8.797 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.202 -4.077 -10.262 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.363 -5.150 -8.851 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.193 -5.032 -9.706 1.00 0.42 H new ATOM 1302 N VAL A 335 0.210 -5.563 -5.624 1.00 0.26 N ATOM 1303 CA VAL A 335 1.078 -6.193 -4.637 1.00 0.28 C ATOM 1304 C VAL A 335 1.842 -7.374 -5.221 1.00 0.28 C ATOM 1305 O VAL A 335 1.373 -8.049 -6.143 1.00 0.32 O ATOM 1306 CB VAL A 335 0.286 -6.669 -3.399 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.263 -5.479 -2.625 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.836 -7.617 -3.801 1.00 0.31 C ATOM 0 H VAL A 335 -0.667 -6.056 -5.793 1.00 0.26 H new ATOM 0 HA VAL A 335 1.791 -5.427 -4.332 1.00 0.28 H new ATOM 0 HB VAL A 335 0.969 -7.215 -2.748 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.818 -5.834 -1.757 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.562 -4.848 -2.295 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -0.927 -4.902 -3.268 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.378 -7.937 -2.911 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.520 -7.105 -4.478 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.414 -8.488 -4.302 1.00 0.31 H new ATOM 1318 N ALA A 336 3.027 -7.604 -4.679 1.00 0.28 N ATOM 1319 CA ALA A 336 3.874 -8.702 -5.106 1.00 0.31 C ATOM 1320 C ALA A 336 3.953 -9.746 -4.008 1.00 0.33 C ATOM 1321 O ALA A 336 4.547 -9.507 -2.954 1.00 0.38 O ATOM 1322 CB ALA A 336 5.267 -8.203 -5.465 1.00 0.34 C ATOM 0 H ALA A 336 3.427 -7.035 -3.932 1.00 0.28 H new ATOM 0 HA ALA A 336 3.438 -9.153 -5.997 1.00 0.31 H new ATOM 0 HB1 ALA A 336 5.884 -9.044 -5.782 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.196 -7.478 -6.276 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.719 -7.729 -4.594 1.00 0.34 H new ATOM 1328 N LYS A 337 3.325 -10.884 -4.243 1.00 0.36 N ATOM 1329 CA LYS A 337 3.325 -11.966 -3.277 1.00 0.40 C ATOM 1330 C LYS A 337 4.311 -13.042 -3.703 1.00 0.47 C ATOM 1331 O LYS A 337 3.908 -13.945 -4.468 1.00 0.60 O ATOM 1332 CB LYS A 337 1.922 -12.563 -3.147 1.00 0.41 C ATOM 1333 CG LYS A 337 0.829 -11.520 -2.976 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.552 -12.152 -2.946 1.00 0.41 C ATOM 1335 CE LYS A 337 -0.796 -12.928 -1.661 1.00 0.39 C ATOM 1336 NZ LYS A 337 -1.062 -12.028 -0.509 1.00 0.38 N ATOM 1337 OXT LYS A 337 5.485 -12.984 -3.278 1.00 0.70 O ATOM 0 H LYS A 337 2.806 -11.083 -5.099 1.00 0.36 H new ATOM 0 HA LYS A 337 3.627 -11.570 -2.307 1.00 0.40 H new ATOM 0 HB2 LYS A 337 1.707 -13.160 -4.033 1.00 0.41 H new ATOM 0 HB3 LYS A 337 1.902 -13.241 -2.293 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.996 -10.966 -2.052 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.882 -10.800 -3.793 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.309 -11.374 -3.049 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -0.663 -12.820 -3.800 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -1.643 -13.600 -1.799 1.00 0.39 H new ATOM 0 HE3 LYS A 337 0.072 -13.550 -1.442 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.545 -12.560 0.243 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 -0.162 -11.654 -0.145 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.665 -11.239 -0.817 1.00 0.38 H new TER 1351 LYS A 337 HETATM 1352 C1 PHQ B 1 1.901 4.398 7.643 1.00 0.19 C HETATM 1353 O1 PHQ B 1 1.873 3.173 7.775 1.00 0.22 O HETATM 1354 O2 PHQ B 1 3.222 5.120 7.382 1.00 0.26 O HETATM 1355 C2 PHQ B 1 4.332 4.123 7.050 1.00 0.31 C HETATM 1356 C3 PHQ B 1 5.669 4.761 6.750 1.00 0.38 C HETATM 1357 C4 PHQ B 1 6.818 3.960 6.648 1.00 1.30 C HETATM 1358 C5 PHQ B 1 8.026 4.518 6.205 1.00 1.42 C HETATM 1359 C6 PHQ B 1 8.120 5.905 5.990 1.00 0.84 C HETATM 1360 C7 PHQ B 1 6.990 6.722 6.171 1.00 1.38 C HETATM 1361 C8 PHQ B 1 5.768 6.152 6.574 1.00 1.29 C HETATM 0 H81 PHQ B 1 4.900 6.788 6.749 1.00 1.29 H new HETATM 0 H71 PHQ B 1 7.060 7.796 5.999 1.00 1.38 H new HETATM 0 H61 PHQ B 1 9.068 6.346 5.683 1.00 0.84 H new HETATM 0 H51 PHQ B 1 8.890 3.878 6.028 1.00 1.42 H new HETATM 0 H41 PHQ B 1 6.771 2.904 6.913 1.00 1.30 H new HETATM 0 H22 PHQ B 1 4.450 3.436 7.888 1.00 0.31 H new HETATM 0 H21 PHQ B 1 4.025 3.528 6.190 1.00 0.31 H new ATOM 1369 N TRP B 2 0.772 5.096 7.727 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.523 4.459 7.976 1.00 0.13 C ATOM 1371 C TRP B 2 -1.593 5.065 7.082 1.00 0.14 C ATOM 1372 O TRP B 2 -1.650 6.287 6.918 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.937 4.635 9.442 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.367 3.609 10.371 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.912 3.548 10.839 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -1.065 2.503 10.955 1.00 0.24 C ATOM 1377 NE1 TRP B 2 1.054 2.471 11.678 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.144 1.814 11.766 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.380 2.024 10.872 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.494 0.675 12.489 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.722 0.894 11.590 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.783 0.231 12.389 1.00 0.39 C ATOM 0 HA TRP B 2 -0.423 3.397 7.754 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.627 5.624 9.778 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -2.025 4.602 9.507 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.698 4.245 10.587 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.913 2.203 12.158 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -3.112 2.529 10.259 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.228 0.161 13.107 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.732 0.515 11.534 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.083 -0.649 12.938 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.426 4.216 6.499 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.511 4.673 5.643 1.00 0.11 C ATOM 1395 C VAL B 3 -4.659 3.680 5.688 1.00 0.14 C ATOM 1396 O VAL B 3 -5.807 4.077 5.404 1.00 0.24 O ATOM 1397 CB VAL B 3 -3.091 4.894 4.169 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.816 6.364 3.911 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.881 4.053 3.783 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.405 2.504 6.020 1.00 0.27 O ATOM 0 H VAL B 3 -2.371 3.203 6.604 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.817 5.643 6.036 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.924 4.570 3.544 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.522 6.502 2.871 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.717 6.944 4.114 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -2.012 6.704 4.563 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.624 4.242 2.741 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -1.036 4.318 4.419 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.116 2.997 3.913 1.00 0.11 H new TER 1410 VAL B 3