USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 451 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 120 MET CE :methyl -170:sc= -3.32 (180deg=-3.44!) USER MOD Set 1.2: A 157 MET CE :methyl 145:sc= -3.78! (180deg=-6.85!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.141 USER MOD Single : A 103 MET CE :methyl 155:sc= -4.84! (180deg=-6.94!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -5.79! C(o=-5.8!,f=-7!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -174:sc= -1.04 (180deg=-1.07) USER MOD Single : A 122 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.0012) USER MOD Single : A 129 THR OG1 : rot 10:sc= 0.879 USER MOD Single : A 137 MET CE :methyl -154:sc= -1.89 (180deg=-4.76!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -8.16! C(o=-8.2!,f=-18!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 65.510 -11.033 -3.825 1.00 1.38 N ATOM 156 CA GLU A 96 64.104 -10.556 -3.963 1.00 1.34 C ATOM 157 C GLU A 96 63.977 -9.129 -3.425 1.00 1.16 C ATOM 158 O GLU A 96 63.017 -8.434 -3.697 1.00 1.07 O ATOM 159 CB GLU A 96 63.268 -11.524 -3.123 1.00 1.51 C ATOM 160 CG GLU A 96 63.077 -12.834 -3.890 1.00 2.07 C ATOM 161 CD GLU A 96 62.067 -12.623 -5.019 1.00 2.19 C ATOM 162 OE1 GLU A 96 62.427 -11.993 -6.000 1.00 2.61 O ATOM 163 OE2 GLU A 96 60.951 -13.097 -4.885 1.00 2.60 O ATOM 0 HA GLU A 96 63.776 -10.535 -5.002 1.00 1.34 H new ATOM 0 HB2 GLU A 96 63.763 -11.717 -2.171 1.00 1.51 H new ATOM 0 HB3 GLU A 96 62.299 -11.080 -2.894 1.00 1.51 H new ATOM 0 HG2 GLU A 96 64.030 -13.170 -4.299 1.00 2.07 H new ATOM 0 HG3 GLU A 96 62.726 -13.615 -3.215 1.00 2.07 H new ATOM 170 N LEU A 97 64.938 -8.685 -2.662 1.00 1.14 N ATOM 171 CA LEU A 97 64.874 -7.304 -2.106 1.00 0.99 C ATOM 172 C LEU A 97 65.040 -6.274 -3.227 1.00 0.82 C ATOM 173 O LEU A 97 64.179 -5.448 -3.455 1.00 0.70 O ATOM 174 CB LEU A 97 66.041 -7.219 -1.122 1.00 1.03 C ATOM 175 CG LEU A 97 65.542 -7.548 0.287 1.00 1.31 C ATOM 176 CD1 LEU A 97 66.670 -8.197 1.091 1.00 1.57 C ATOM 177 CD2 LEU A 97 65.096 -6.260 0.983 1.00 1.71 C ATOM 0 H LEU A 97 65.766 -9.220 -2.399 1.00 1.14 H new ATOM 0 HA LEU A 97 63.919 -7.097 -1.624 1.00 0.99 H new ATOM 0 HB2 LEU A 97 66.828 -7.915 -1.413 1.00 1.03 H new ATOM 0 HB3 LEU A 97 66.476 -6.220 -1.142 1.00 1.03 H new ATOM 0 HG LEU A 97 64.700 -8.237 0.222 1.00 1.31 H new ATOM 0 HD11 LEU A 97 66.314 -8.431 2.094 1.00 1.57 H new ATOM 0 HD12 LEU A 97 66.988 -9.114 0.596 1.00 1.57 H new ATOM 0 HD13 LEU A 97 67.513 -7.509 1.157 1.00 1.57 H new ATOM 0 HD21 LEU A 97 64.740 -6.493 1.987 1.00 1.71 H new ATOM 0 HD22 LEU A 97 65.938 -5.571 1.047 1.00 1.71 H new ATOM 0 HD23 LEU A 97 64.291 -5.797 0.411 1.00 1.71 H new ATOM 189 N SER A 98 66.140 -6.317 -3.928 1.00 0.87 N ATOM 190 CA SER A 98 66.355 -5.339 -5.032 1.00 0.78 C ATOM 191 C SER A 98 65.148 -5.340 -5.975 1.00 0.75 C ATOM 192 O SER A 98 64.689 -4.304 -6.412 1.00 0.74 O ATOM 193 CB SER A 98 67.611 -5.828 -5.755 1.00 0.93 C ATOM 194 OG SER A 98 67.253 -6.349 -7.029 1.00 1.41 O ATOM 0 H SER A 98 66.897 -6.985 -3.785 1.00 0.87 H new ATOM 0 HA SER A 98 66.471 -4.318 -4.669 1.00 0.78 H new ATOM 0 HB2 SER A 98 68.319 -5.007 -5.872 1.00 0.93 H new ATOM 0 HB3 SER A 98 68.108 -6.596 -5.163 1.00 0.93 H new ATOM 0 HG SER A 98 68.058 -6.661 -7.493 1.00 1.41 H new ATOM 200 N ASP A 99 64.628 -6.496 -6.287 1.00 0.80 N ATOM 201 CA ASP A 99 63.448 -6.561 -7.197 1.00 0.82 C ATOM 202 C ASP A 99 62.337 -5.646 -6.678 1.00 0.77 C ATOM 203 O ASP A 99 61.726 -4.910 -7.428 1.00 0.77 O ATOM 204 CB ASP A 99 63.000 -8.023 -7.162 1.00 0.93 C ATOM 205 CG ASP A 99 63.201 -8.654 -8.540 1.00 1.45 C ATOM 206 OD1 ASP A 99 64.004 -8.133 -9.297 1.00 1.92 O ATOM 207 OD2 ASP A 99 62.549 -9.647 -8.816 1.00 2.18 O ATOM 0 H ASP A 99 64.968 -7.397 -5.952 1.00 0.80 H new ATOM 0 HA ASP A 99 63.685 -6.234 -8.209 1.00 0.82 H new ATOM 0 HB2 ASP A 99 63.571 -8.571 -6.413 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.951 -8.086 -6.872 1.00 0.93 H new ATOM 212 N LEU A 100 62.074 -5.680 -5.400 1.00 0.77 N ATOM 213 CA LEU A 100 61.007 -4.805 -4.838 1.00 0.77 C ATOM 214 C LEU A 100 61.382 -3.334 -5.041 1.00 0.64 C ATOM 215 O LEU A 100 60.532 -2.481 -5.201 1.00 0.64 O ATOM 216 CB LEU A 100 60.954 -5.146 -3.349 1.00 0.85 C ATOM 217 CG LEU A 100 60.184 -6.453 -3.153 1.00 1.16 C ATOM 218 CD1 LEU A 100 60.074 -6.766 -1.659 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.781 -6.309 -3.745 1.00 1.57 C ATOM 0 H LEU A 100 62.551 -6.275 -4.722 1.00 0.77 H new ATOM 0 HA LEU A 100 60.043 -4.961 -5.322 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.964 -5.243 -2.951 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.470 -4.340 -2.797 1.00 0.85 H new ATOM 0 HG LEU A 100 60.713 -7.263 -3.655 1.00 1.16 H new ATOM 0 HD11 LEU A 100 59.525 -7.698 -1.522 1.00 1.54 H new ATOM 0 HD12 LEU A 100 61.073 -6.867 -1.234 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.546 -5.956 -1.156 1.00 1.54 H new ATOM 0 HD21 LEU A 100 58.230 -7.239 -3.606 1.00 1.57 H new ATOM 0 HD22 LEU A 100 58.255 -5.498 -3.242 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.856 -6.087 -4.810 1.00 1.57 H new ATOM 231 N PHE A 101 62.652 -3.038 -5.041 1.00 0.60 N ATOM 232 CA PHE A 101 63.094 -1.627 -5.236 1.00 0.53 C ATOM 233 C PHE A 101 62.556 -1.085 -6.564 1.00 0.49 C ATOM 234 O PHE A 101 61.800 -0.134 -6.597 1.00 0.61 O ATOM 235 CB PHE A 101 64.621 -1.697 -5.266 1.00 0.57 C ATOM 236 CG PHE A 101 65.203 -0.359 -4.875 1.00 0.46 C ATOM 237 CD1 PHE A 101 64.726 0.816 -5.469 1.00 1.23 C ATOM 238 CD2 PHE A 101 66.225 -0.296 -3.921 1.00 1.31 C ATOM 239 CE1 PHE A 101 65.273 2.054 -5.110 1.00 1.23 C ATOM 240 CE2 PHE A 101 66.770 0.942 -3.561 1.00 1.30 C ATOM 241 CZ PHE A 101 66.295 2.117 -4.156 1.00 0.40 C ATOM 0 H PHE A 101 63.405 -3.714 -4.914 1.00 0.60 H new ATOM 0 HA PHE A 101 62.729 -0.964 -4.451 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.972 -2.470 -4.583 1.00 0.57 H new ATOM 0 HB3 PHE A 101 64.962 -1.975 -6.263 1.00 0.57 H new ATOM 0 HD1 PHE A 101 63.936 0.767 -6.204 1.00 1.23 H new ATOM 0 HD2 PHE A 101 66.593 -1.202 -3.463 1.00 1.31 H new ATOM 0 HE1 PHE A 101 64.906 2.960 -5.569 1.00 1.23 H new ATOM 0 HE2 PHE A 101 67.558 0.991 -2.824 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.717 3.072 -3.879 1.00 0.40 H new ATOM 251 N ARG A 102 62.943 -1.682 -7.659 1.00 0.53 N ATOM 252 CA ARG A 102 62.457 -1.198 -8.983 1.00 0.70 C ATOM 253 C ARG A 102 60.942 -1.389 -9.100 1.00 0.80 C ATOM 254 O ARG A 102 60.257 -0.613 -9.738 1.00 1.09 O ATOM 255 CB ARG A 102 63.189 -2.062 -10.013 1.00 0.87 C ATOM 256 CG ARG A 102 63.389 -1.262 -11.302 1.00 1.28 C ATOM 257 CD ARG A 102 64.654 -1.748 -12.015 1.00 1.83 C ATOM 258 NE ARG A 102 64.168 -2.707 -13.046 1.00 2.26 N ATOM 259 CZ ARG A 102 63.596 -3.822 -12.683 1.00 2.89 C ATOM 260 NH1 ARG A 102 63.961 -4.412 -11.578 1.00 3.22 N ATOM 261 NH2 ARG A 102 62.658 -4.347 -13.424 1.00 3.68 N ATOM 0 H ARG A 102 63.574 -2.483 -7.694 1.00 0.53 H new ATOM 0 HA ARG A 102 62.651 -0.135 -9.128 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.153 -2.380 -9.617 1.00 0.87 H new ATOM 0 HB3 ARG A 102 62.615 -2.966 -10.219 1.00 0.87 H new ATOM 0 HG2 ARG A 102 62.523 -1.380 -11.954 1.00 1.28 H new ATOM 0 HG3 ARG A 102 63.473 -0.200 -11.074 1.00 1.28 H new ATOM 0 HD2 ARG A 102 65.194 -0.918 -12.471 1.00 1.83 H new ATOM 0 HD3 ARG A 102 65.340 -2.231 -11.318 1.00 1.83 H new ATOM 0 HE ARG A 102 64.282 -2.492 -14.036 1.00 2.26 H new ATOM 0 HH11 ARG A 102 64.693 -4.001 -10.998 1.00 3.22 H new ATOM 0 HH12 ARG A 102 63.514 -5.284 -11.294 1.00 3.22 H new ATOM 0 HH21 ARG A 102 62.372 -3.885 -14.287 1.00 3.68 H new ATOM 0 HH22 ARG A 102 62.211 -5.219 -13.140 1.00 3.68 H new ATOM 275 N MET A 103 60.411 -2.416 -8.493 1.00 0.68 N ATOM 276 CA MET A 103 58.940 -2.651 -8.577 1.00 0.81 C ATOM 277 C MET A 103 58.183 -1.625 -7.726 1.00 0.79 C ATOM 278 O MET A 103 56.990 -1.449 -7.866 1.00 0.90 O ATOM 279 CB MET A 103 58.728 -4.061 -8.028 1.00 0.91 C ATOM 280 CG MET A 103 58.027 -4.918 -9.085 1.00 1.35 C ATOM 281 SD MET A 103 58.352 -6.668 -8.758 1.00 1.92 S ATOM 282 CE MET A 103 58.160 -6.602 -6.959 1.00 1.63 C ATOM 0 H MET A 103 60.930 -3.101 -7.944 1.00 0.68 H new ATOM 0 HA MET A 103 58.569 -2.550 -9.597 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.686 -4.506 -7.760 1.00 0.91 H new ATOM 0 HB3 MET A 103 58.128 -4.023 -7.119 1.00 0.91 H new ATOM 0 HG2 MET A 103 56.954 -4.728 -9.069 1.00 1.35 H new ATOM 0 HG3 MET A 103 58.384 -4.651 -10.080 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.879 -7.587 -6.587 1.00 1.63 H new ATOM 0 HE2 MET A 103 59.102 -6.297 -6.503 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.383 -5.882 -6.702 1.00 1.63 H new ATOM 292 N PHE A 104 58.865 -0.946 -6.843 1.00 0.71 N ATOM 293 CA PHE A 104 58.175 0.064 -5.989 1.00 0.75 C ATOM 294 C PHE A 104 58.833 1.436 -6.150 1.00 0.68 C ATOM 295 O PHE A 104 58.611 2.337 -5.366 1.00 0.80 O ATOM 296 CB PHE A 104 58.343 -0.444 -4.556 1.00 0.76 C ATOM 297 CG PHE A 104 57.220 -1.399 -4.226 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.888 -0.991 -4.369 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.512 -2.693 -3.779 1.00 1.67 C ATOM 300 CE1 PHE A 104 54.849 -1.879 -4.065 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.473 -3.580 -3.476 1.00 1.90 C ATOM 302 CZ PHE A 104 55.142 -3.173 -3.618 1.00 1.76 C ATOM 0 H PHE A 104 59.866 -1.046 -6.676 1.00 0.71 H new ATOM 0 HA PHE A 104 57.126 0.182 -6.260 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.305 -0.945 -4.447 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.339 0.394 -3.859 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.662 0.007 -4.713 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.539 -3.007 -3.668 1.00 1.67 H new ATOM 0 HE1 PHE A 104 53.821 -1.566 -4.175 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.699 -4.579 -3.133 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.340 -3.857 -3.383 1.00 1.76 H new ATOM 312 N ASP A 105 59.643 1.604 -7.159 1.00 0.58 N ATOM 313 CA ASP A 105 60.313 2.921 -7.363 1.00 0.52 C ATOM 314 C ASP A 105 59.474 3.807 -8.285 1.00 0.52 C ATOM 315 O ASP A 105 59.782 3.978 -9.448 1.00 0.60 O ATOM 316 CB ASP A 105 61.655 2.587 -8.015 1.00 0.60 C ATOM 317 CG ASP A 105 62.593 3.790 -7.901 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.173 4.796 -7.351 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.717 3.684 -8.363 1.00 0.54 O ATOM 0 H ASP A 105 59.870 0.889 -7.850 1.00 0.58 H new ATOM 0 HA ASP A 105 60.439 3.468 -6.428 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.100 1.718 -7.530 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.507 2.326 -9.063 1.00 0.60 H new ATOM 324 N LYS A 106 58.417 4.377 -7.775 1.00 0.51 N ATOM 325 CA LYS A 106 57.566 5.257 -8.626 1.00 0.60 C ATOM 326 C LYS A 106 58.451 6.200 -9.444 1.00 0.59 C ATOM 327 O LYS A 106 58.176 6.488 -10.592 1.00 0.70 O ATOM 328 CB LYS A 106 56.706 6.050 -7.645 1.00 0.63 C ATOM 329 CG LYS A 106 56.001 7.184 -8.392 1.00 1.39 C ATOM 330 CD LYS A 106 55.254 6.611 -9.598 1.00 1.58 C ATOM 331 CE LYS A 106 54.062 5.783 -9.114 1.00 2.00 C ATOM 332 NZ LYS A 106 52.863 6.571 -9.510 1.00 2.79 N ATOM 0 H LYS A 106 58.106 4.272 -6.809 1.00 0.51 H new ATOM 0 HA LYS A 106 56.958 4.691 -9.331 1.00 0.60 H new ATOM 0 HB2 LYS A 106 55.971 5.395 -7.177 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.326 6.456 -6.846 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.304 7.694 -7.727 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.729 7.926 -8.720 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.911 7.419 -10.244 1.00 1.58 H new ATOM 0 HD3 LYS A 106 55.924 5.990 -10.193 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.055 4.795 -9.574 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.097 5.633 -8.035 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 52.003 6.068 -9.212 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.894 7.504 -9.052 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 52.853 6.692 -10.543 1.00 2.79 H new ATOM 346 N ASN A 107 59.512 6.684 -8.857 1.00 0.53 N ATOM 347 CA ASN A 107 60.418 7.609 -9.597 1.00 0.59 C ATOM 348 C ASN A 107 61.252 6.829 -10.617 1.00 0.60 C ATOM 349 O ASN A 107 61.519 7.299 -11.706 1.00 0.71 O ATOM 350 CB ASN A 107 61.316 8.217 -8.520 1.00 0.62 C ATOM 351 CG ASN A 107 62.478 8.963 -9.178 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.514 9.147 -8.573 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.347 9.405 -10.398 1.00 1.67 N ATOM 0 H ASN A 107 59.791 6.479 -7.897 1.00 0.53 H new ATOM 0 HA ASN A 107 59.872 8.371 -10.153 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.740 8.900 -7.896 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.698 7.433 -7.866 1.00 0.62 H new ATOM 0 HD21 ASN A 107 63.115 9.906 -10.844 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.476 9.250 -10.906 1.00 1.67 H new ATOM 360 N ALA A 108 61.662 5.638 -10.274 1.00 0.56 N ATOM 361 CA ALA A 108 62.475 4.823 -11.224 1.00 0.62 C ATOM 362 C ALA A 108 63.830 5.492 -11.482 1.00 0.64 C ATOM 363 O ALA A 108 64.141 5.871 -12.593 1.00 0.78 O ATOM 364 CB ALA A 108 61.652 4.773 -12.509 1.00 0.72 C ATOM 0 H ALA A 108 61.469 5.193 -9.377 1.00 0.56 H new ATOM 0 HA ALA A 108 62.685 3.828 -10.833 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.185 4.189 -13.260 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.687 4.308 -12.305 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.496 5.786 -12.881 1.00 0.72 H new ATOM 370 N ASP A 109 64.636 5.636 -10.467 1.00 0.57 N ATOM 371 CA ASP A 109 65.969 6.276 -10.658 1.00 0.63 C ATOM 372 C ASP A 109 67.024 5.574 -9.797 1.00 0.63 C ATOM 373 O ASP A 109 68.144 6.031 -9.676 1.00 0.76 O ATOM 374 CB ASP A 109 65.780 7.724 -10.204 1.00 0.62 C ATOM 375 CG ASP A 109 65.677 7.771 -8.679 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.783 7.135 -8.146 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.493 8.442 -8.070 1.00 1.20 O ATOM 0 H ASP A 109 64.430 5.338 -9.513 1.00 0.57 H new ATOM 0 HA ASP A 109 66.313 6.214 -11.690 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.618 8.334 -10.542 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.879 8.142 -10.653 1.00 0.62 H new ATOM 382 N GLY A 110 66.675 4.469 -9.197 1.00 0.58 N ATOM 383 CA GLY A 110 67.657 3.740 -8.344 1.00 0.62 C ATOM 384 C GLY A 110 67.388 4.058 -6.871 1.00 0.54 C ATOM 385 O GLY A 110 67.684 3.273 -5.992 1.00 0.57 O ATOM 0 H GLY A 110 65.752 4.039 -9.260 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.578 2.667 -8.516 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.673 4.031 -8.610 1.00 0.62 H new ATOM 389 N TYR A 111 66.824 5.202 -6.596 1.00 0.50 N ATOM 390 CA TYR A 111 66.531 5.574 -5.183 1.00 0.48 C ATOM 391 C TYR A 111 65.035 5.835 -5.009 1.00 0.42 C ATOM 392 O TYR A 111 64.294 5.912 -5.967 1.00 0.52 O ATOM 393 CB TYR A 111 67.330 6.851 -4.932 1.00 0.52 C ATOM 394 CG TYR A 111 68.770 6.621 -5.310 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.141 6.578 -6.659 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.736 6.446 -4.313 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.477 6.361 -7.011 1.00 1.40 C ATOM 398 CE2 TYR A 111 71.073 6.228 -4.665 1.00 1.46 C ATOM 399 CZ TYR A 111 71.444 6.186 -6.014 1.00 0.83 C ATOM 400 OH TYR A 111 72.762 5.972 -6.362 1.00 0.97 O ATOM 0 H TYR A 111 66.553 5.897 -7.291 1.00 0.50 H new ATOM 0 HA TYR A 111 66.801 4.783 -4.483 1.00 0.48 H new ATOM 0 HB2 TYR A 111 66.916 7.673 -5.516 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.259 7.138 -3.883 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.395 6.712 -7.428 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.450 6.479 -3.272 1.00 1.38 H new ATOM 0 HE1 TYR A 111 70.763 6.328 -8.052 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.819 6.092 -3.896 1.00 1.46 H new ATOM 0 HH TYR A 111 73.302 5.872 -5.551 1.00 0.97 H new ATOM 410 N ILE A 112 64.586 5.975 -3.793 1.00 0.36 N ATOM 411 CA ILE A 112 63.137 6.235 -3.562 1.00 0.32 C ATOM 412 C ILE A 112 62.947 7.305 -2.489 1.00 0.35 C ATOM 413 O ILE A 112 63.609 7.309 -1.471 1.00 0.43 O ATOM 414 CB ILE A 112 62.564 4.907 -3.101 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.002 3.834 -4.106 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.034 5.020 -3.046 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.889 2.811 -4.336 1.00 0.46 C ATOM 0 H ILE A 112 65.158 5.921 -2.950 1.00 0.36 H new ATOM 0 HA ILE A 112 62.641 6.603 -4.460 1.00 0.32 H new ATOM 0 HB ILE A 112 62.923 4.639 -2.107 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.269 4.305 -5.052 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.895 3.329 -3.738 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.611 4.071 -2.716 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.752 5.806 -2.346 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.651 5.263 -4.037 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.226 2.062 -5.052 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.641 2.325 -3.392 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.006 3.316 -4.727 1.00 0.46 H new ATOM 429 N ASP A 113 62.041 8.208 -2.712 1.00 0.36 N ATOM 430 CA ASP A 113 61.794 9.282 -1.708 1.00 0.44 C ATOM 431 C ASP A 113 60.479 9.018 -0.972 1.00 0.44 C ATOM 432 O ASP A 113 59.738 8.121 -1.314 1.00 0.60 O ATOM 433 CB ASP A 113 61.708 10.574 -2.521 1.00 0.56 C ATOM 434 CG ASP A 113 60.445 10.555 -3.384 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.364 10.582 -2.820 1.00 1.58 O ATOM 436 OD2 ASP A 113 60.580 10.515 -4.597 1.00 1.53 O ATOM 0 H ASP A 113 61.457 8.252 -3.547 1.00 0.36 H new ATOM 0 HA ASP A 113 62.577 9.332 -0.952 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.691 11.435 -1.853 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.590 10.678 -3.152 1.00 0.56 H new ATOM 441 N LEU A 114 60.185 9.789 0.037 1.00 0.47 N ATOM 442 CA LEU A 114 58.917 9.577 0.795 1.00 0.47 C ATOM 443 C LEU A 114 57.740 9.383 -0.167 1.00 0.50 C ATOM 444 O LEU A 114 57.077 8.364 -0.160 1.00 0.52 O ATOM 445 CB LEU A 114 58.725 10.858 1.606 1.00 0.57 C ATOM 446 CG LEU A 114 59.480 10.746 2.928 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.777 9.730 3.831 1.00 1.36 C ATOM 448 CD2 LEU A 114 60.913 10.283 2.654 1.00 1.57 C ATOM 0 H LEU A 114 60.767 10.557 0.371 1.00 0.47 H new ATOM 0 HA LEU A 114 58.963 8.688 1.425 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.088 11.716 1.040 1.00 0.57 H new ATOM 0 HB3 LEU A 114 57.665 11.025 1.794 1.00 0.57 H new ATOM 0 HG LEU A 114 59.499 11.717 3.423 1.00 0.68 H new ATOM 0 HD11 LEU A 114 59.315 9.649 4.775 1.00 1.36 H new ATOM 0 HD12 LEU A 114 57.756 10.059 4.022 1.00 1.36 H new ATOM 0 HD13 LEU A 114 58.759 8.757 3.339 1.00 1.36 H new ATOM 0 HD21 LEU A 114 61.456 10.202 3.596 1.00 1.57 H new ATOM 0 HD22 LEU A 114 60.893 9.311 2.162 1.00 1.57 H new ATOM 0 HD23 LEU A 114 61.412 11.006 2.009 1.00 1.57 H new ATOM 460 N GLU A 115 57.472 10.362 -0.982 1.00 0.56 N ATOM 461 CA GLU A 115 56.332 10.262 -1.940 1.00 0.64 C ATOM 462 C GLU A 115 56.306 8.897 -2.634 1.00 0.56 C ATOM 463 O GLU A 115 55.255 8.364 -2.930 1.00 0.61 O ATOM 464 CB GLU A 115 56.581 11.373 -2.960 1.00 0.77 C ATOM 465 CG GLU A 115 55.323 11.578 -3.808 1.00 1.54 C ATOM 466 CD GLU A 115 55.724 11.870 -5.256 1.00 2.04 C ATOM 467 OE1 GLU A 115 56.261 12.939 -5.497 1.00 2.45 O ATOM 468 OE2 GLU A 115 55.485 11.021 -6.098 1.00 2.67 O ATOM 0 H GLU A 115 57.997 11.236 -1.028 1.00 0.56 H new ATOM 0 HA GLU A 115 55.372 10.365 -1.435 1.00 0.64 H new ATOM 0 HB2 GLU A 115 56.843 12.299 -2.448 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.425 11.112 -3.599 1.00 0.77 H new ATOM 0 HG2 GLU A 115 54.695 10.688 -3.766 1.00 1.54 H new ATOM 0 HG3 GLU A 115 54.734 12.404 -3.409 1.00 1.54 H new ATOM 475 N GLU A 116 57.449 8.332 -2.910 1.00 0.49 N ATOM 476 CA GLU A 116 57.475 7.008 -3.600 1.00 0.45 C ATOM 477 C GLU A 116 57.137 5.874 -2.624 1.00 0.43 C ATOM 478 O GLU A 116 56.372 4.984 -2.937 1.00 0.51 O ATOM 479 CB GLU A 116 58.906 6.858 -4.115 1.00 0.42 C ATOM 480 CG GLU A 116 59.218 7.978 -5.111 1.00 0.94 C ATOM 481 CD GLU A 116 60.605 7.751 -5.714 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.935 6.605 -5.973 1.00 1.43 O ATOM 483 OE2 GLU A 116 61.312 8.725 -5.906 1.00 1.28 O ATOM 0 H GLU A 116 58.363 8.726 -2.689 1.00 0.49 H new ATOM 0 HA GLU A 116 56.739 6.956 -4.402 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.608 6.894 -3.282 1.00 0.42 H new ATOM 0 HB3 GLU A 116 59.030 5.887 -4.595 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.466 7.998 -5.899 1.00 0.94 H new ATOM 0 HG3 GLU A 116 59.181 8.945 -4.610 1.00 0.94 H new ATOM 490 N LEU A 117 57.703 5.893 -1.447 1.00 0.37 N ATOM 491 CA LEU A 117 57.414 4.810 -0.465 1.00 0.42 C ATOM 492 C LEU A 117 55.917 4.752 -0.167 1.00 0.50 C ATOM 493 O LEU A 117 55.351 3.694 0.016 1.00 0.58 O ATOM 494 CB LEU A 117 58.198 5.191 0.791 1.00 0.43 C ATOM 495 CG LEU A 117 58.294 3.980 1.719 1.00 0.61 C ATOM 496 CD1 LEU A 117 59.520 3.145 1.346 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.426 4.455 3.168 1.00 1.53 C ATOM 0 H LEU A 117 58.352 6.611 -1.124 1.00 0.37 H new ATOM 0 HA LEU A 117 57.700 3.827 -0.840 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.196 5.534 0.519 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.705 6.017 1.304 1.00 0.43 H new ATOM 0 HG LEU A 117 57.395 3.373 1.615 1.00 0.61 H new ATOM 0 HD11 LEU A 117 59.588 2.282 2.008 1.00 0.90 H new ATOM 0 HD12 LEU A 117 59.428 2.805 0.315 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.419 3.753 1.449 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.494 3.591 3.829 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.325 5.063 3.271 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.553 5.050 3.437 1.00 1.53 H new ATOM 509 N LYS A 118 55.271 5.883 -0.117 1.00 0.52 N ATOM 510 CA LYS A 118 53.809 5.890 0.171 1.00 0.63 C ATOM 511 C LYS A 118 53.066 5.034 -0.858 1.00 0.71 C ATOM 512 O LYS A 118 52.172 4.282 -0.525 1.00 0.83 O ATOM 513 CB LYS A 118 53.391 7.356 0.058 1.00 0.68 C ATOM 514 CG LYS A 118 53.855 8.115 1.303 1.00 1.05 C ATOM 515 CD LYS A 118 54.477 9.450 0.888 1.00 1.33 C ATOM 516 CE LYS A 118 55.180 10.080 2.092 1.00 1.49 C ATOM 517 NZ LYS A 118 55.350 11.513 1.728 1.00 1.82 N ATOM 0 H LYS A 118 55.690 6.801 -0.263 1.00 0.52 H new ATOM 0 HA LYS A 118 53.577 5.477 1.153 1.00 0.63 H new ATOM 0 HB2 LYS A 118 53.826 7.802 -0.836 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.308 7.430 -0.044 1.00 0.68 H new ATOM 0 HG2 LYS A 118 53.012 8.287 1.972 1.00 1.05 H new ATOM 0 HG3 LYS A 118 54.582 7.519 1.855 1.00 1.05 H new ATOM 0 HD2 LYS A 118 55.189 9.295 0.077 1.00 1.33 H new ATOM 0 HD3 LYS A 118 53.706 10.122 0.511 1.00 1.33 H new ATOM 0 HE2 LYS A 118 54.585 9.970 2.999 1.00 1.49 H new ATOM 0 HE3 LYS A 118 56.142 9.604 2.282 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 55.915 11.992 2.458 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 55.837 11.583 0.812 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 54.417 11.967 1.659 1.00 1.82 H new ATOM 531 N ILE A 119 53.434 5.139 -2.107 1.00 0.72 N ATOM 532 CA ILE A 119 52.751 4.327 -3.153 1.00 0.84 C ATOM 533 C ILE A 119 53.032 2.840 -2.926 1.00 0.86 C ATOM 534 O ILE A 119 52.185 1.997 -3.143 1.00 0.96 O ATOM 535 CB ILE A 119 53.355 4.797 -4.475 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.741 6.145 -4.852 1.00 1.00 C ATOM 537 CG2 ILE A 119 53.052 3.775 -5.573 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.524 6.751 -6.015 1.00 1.08 C ATOM 0 H ILE A 119 54.176 5.751 -2.447 1.00 0.72 H new ATOM 0 HA ILE A 119 51.668 4.451 -3.137 1.00 0.84 H new ATOM 0 HB ILE A 119 54.435 4.899 -4.368 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.695 6.016 -5.131 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.761 6.819 -3.995 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.484 4.114 -6.515 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.483 2.811 -5.302 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.973 3.671 -5.686 1.00 1.06 H new ATOM 0 HD11 ILE A 119 53.088 7.713 -6.286 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.563 6.895 -5.719 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.481 6.079 -6.872 1.00 1.08 H new ATOM 550 N MET A 120 54.217 2.514 -2.485 1.00 0.82 N ATOM 551 CA MET A 120 54.553 1.082 -2.239 1.00 0.92 C ATOM 552 C MET A 120 53.552 0.471 -1.255 1.00 0.92 C ATOM 553 O MET A 120 53.118 -0.652 -1.414 1.00 1.01 O ATOM 554 CB MET A 120 55.957 1.101 -1.634 1.00 0.96 C ATOM 555 CG MET A 120 56.267 -0.267 -1.023 1.00 1.50 C ATOM 556 SD MET A 120 57.798 -0.165 -0.062 1.00 2.13 S ATOM 557 CE MET A 120 58.866 -1.017 -1.248 1.00 2.73 C ATOM 0 H MET A 120 54.966 3.177 -2.285 1.00 0.82 H new ATOM 0 HA MET A 120 54.512 0.484 -3.150 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.692 1.344 -2.401 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.025 1.876 -0.871 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.444 -0.587 -0.384 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.368 -1.014 -1.810 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.830 -1.227 -0.784 1.00 2.73 H new ATOM 0 HE2 MET A 120 58.398 -1.953 -1.552 1.00 2.73 H new ATOM 0 HE3 MET A 120 59.015 -0.385 -2.123 1.00 2.73 H new ATOM 567 N LEU A 121 53.180 1.204 -0.241 1.00 0.88 N ATOM 568 CA LEU A 121 52.203 0.664 0.749 1.00 0.96 C ATOM 569 C LEU A 121 50.783 0.787 0.198 1.00 0.99 C ATOM 570 O LEU A 121 49.914 0.001 0.516 1.00 1.12 O ATOM 571 CB LEU A 121 52.349 1.535 1.991 1.00 0.98 C ATOM 572 CG LEU A 121 53.827 1.826 2.260 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.984 2.399 3.670 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.632 0.529 2.147 1.00 1.81 C ATOM 0 H LEU A 121 53.509 2.151 -0.055 1.00 0.88 H new ATOM 0 HA LEU A 121 52.388 -0.388 0.966 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.805 2.470 1.855 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.907 1.032 2.851 1.00 0.98 H new ATOM 0 HG LEU A 121 54.194 2.547 1.529 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.036 2.607 3.863 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.411 3.322 3.754 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.617 1.677 4.399 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.685 0.736 2.339 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.265 -0.192 2.878 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.520 0.117 1.144 1.00 1.81 H new ATOM 586 N GLN A 122 50.541 1.769 -0.625 1.00 0.95 N ATOM 587 CA GLN A 122 49.176 1.930 -1.196 1.00 1.05 C ATOM 588 C GLN A 122 48.862 0.727 -2.078 1.00 1.12 C ATOM 589 O GLN A 122 47.718 0.379 -2.295 1.00 1.24 O ATOM 590 CB GLN A 122 49.232 3.213 -2.024 1.00 1.07 C ATOM 591 CG GLN A 122 48.405 4.300 -1.335 1.00 1.49 C ATOM 592 CD GLN A 122 49.066 5.661 -1.551 1.00 1.51 C ATOM 593 OE1 GLN A 122 48.713 6.383 -2.462 1.00 2.24 O ATOM 594 NE2 GLN A 122 50.018 6.045 -0.745 1.00 1.52 N ATOM 0 H GLN A 122 51.225 2.463 -0.925 1.00 0.95 H new ATOM 0 HA GLN A 122 48.401 1.990 -0.432 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.265 3.542 -2.135 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.847 3.029 -3.027 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.391 4.309 -1.736 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.324 4.089 -0.269 1.00 1.49 H new ATOM 0 HE21 GLN A 122 50.314 5.439 0.020 1.00 1.52 H new ATOM 0 HE22 GLN A 122 50.466 6.951 -0.880 1.00 1.52 H new ATOM 603 N ALA A 123 49.879 0.079 -2.579 1.00 1.11 N ATOM 604 CA ALA A 123 49.650 -1.113 -3.439 1.00 1.26 C ATOM 605 C ALA A 123 49.118 -2.264 -2.583 1.00 1.39 C ATOM 606 O ALA A 123 48.486 -3.177 -3.076 1.00 1.55 O ATOM 607 CB ALA A 123 51.024 -1.458 -4.014 1.00 1.31 C ATOM 0 H ALA A 123 50.857 0.325 -2.429 1.00 1.11 H new ATOM 0 HA ALA A 123 48.920 -0.930 -4.228 1.00 1.26 H new ATOM 0 HB1 ALA A 123 50.939 -2.330 -4.662 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.400 -0.613 -4.591 1.00 1.31 H new ATOM 0 HB3 ALA A 123 51.715 -1.677 -3.200 1.00 1.31 H new ATOM 682 N THR A 129 47.237 7.686 6.122 1.00 1.18 N ATOM 683 CA THR A 129 47.680 8.876 5.344 1.00 1.21 C ATOM 684 C THR A 129 49.210 8.945 5.311 1.00 1.10 C ATOM 685 O THR A 129 49.890 8.050 5.771 1.00 1.04 O ATOM 686 CB THR A 129 47.104 10.079 6.094 1.00 1.37 C ATOM 687 OG1 THR A 129 45.985 9.663 6.865 1.00 1.63 O ATOM 688 CG2 THR A 129 46.668 11.145 5.090 1.00 1.63 C ATOM 0 HA THR A 129 47.341 8.842 4.309 1.00 1.21 H new ATOM 0 HB THR A 129 47.865 10.495 6.755 1.00 1.37 H new ATOM 0 HG1 THR A 129 45.935 8.684 6.867 1.00 1.63 H new ATOM 0 HG21 THR A 129 46.258 12.002 5.624 1.00 1.63 H new ATOM 0 HG22 THR A 129 47.528 11.463 4.500 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.907 10.732 4.428 1.00 1.63 H new ATOM 696 N GLU A 130 49.755 10.000 4.768 1.00 1.13 N ATOM 697 CA GLU A 130 51.240 10.122 4.706 1.00 1.09 C ATOM 698 C GLU A 130 51.807 10.407 6.098 1.00 1.03 C ATOM 699 O GLU A 130 53.005 10.465 6.290 1.00 0.98 O ATOM 700 CB GLU A 130 51.502 11.300 3.767 1.00 1.23 C ATOM 701 CG GLU A 130 51.742 10.779 2.350 1.00 1.68 C ATOM 702 CD GLU A 130 51.537 11.914 1.346 1.00 2.20 C ATOM 703 OE1 GLU A 130 50.678 12.745 1.588 1.00 2.66 O ATOM 704 OE2 GLU A 130 52.245 11.934 0.352 1.00 2.77 O ATOM 0 H GLU A 130 49.237 10.781 4.365 1.00 1.13 H new ATOM 0 HA GLU A 130 51.715 9.207 4.353 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.652 11.982 3.776 1.00 1.23 H new ATOM 0 HB3 GLU A 130 52.368 11.866 4.109 1.00 1.23 H new ATOM 0 HG2 GLU A 130 52.753 10.382 2.264 1.00 1.68 H new ATOM 0 HG3 GLU A 130 51.058 9.959 2.132 1.00 1.68 H new ATOM 711 N ASP A 131 50.955 10.587 7.070 1.00 1.08 N ATOM 712 CA ASP A 131 51.448 10.869 8.450 1.00 1.10 C ATOM 713 C ASP A 131 51.945 9.580 9.110 1.00 0.95 C ATOM 714 O ASP A 131 52.824 9.600 9.948 1.00 0.88 O ATOM 715 CB ASP A 131 50.233 11.421 9.197 1.00 1.27 C ATOM 716 CG ASP A 131 49.973 12.864 8.757 1.00 1.65 C ATOM 717 OD1 ASP A 131 49.809 13.078 7.568 1.00 2.28 O ATOM 718 OD2 ASP A 131 49.940 13.729 9.617 1.00 2.09 O ATOM 0 H ASP A 131 49.941 10.551 6.970 1.00 1.08 H new ATOM 0 HA ASP A 131 52.284 11.569 8.455 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.357 10.805 8.994 1.00 1.27 H new ATOM 0 HB3 ASP A 131 50.407 11.384 10.272 1.00 1.27 H new ATOM 723 N ASP A 132 51.388 8.459 8.738 1.00 0.96 N ATOM 724 CA ASP A 132 51.829 7.170 9.346 1.00 0.88 C ATOM 725 C ASP A 132 52.939 6.538 8.501 1.00 0.76 C ATOM 726 O ASP A 132 53.673 5.685 8.962 1.00 0.72 O ATOM 727 CB ASP A 132 50.582 6.286 9.344 1.00 0.99 C ATOM 728 CG ASP A 132 49.594 6.795 10.395 1.00 1.31 C ATOM 729 OD1 ASP A 132 49.199 7.946 10.299 1.00 1.70 O ATOM 730 OD2 ASP A 132 49.249 6.026 11.277 1.00 1.95 O ATOM 0 H ASP A 132 50.648 8.380 8.041 1.00 0.96 H new ATOM 0 HA ASP A 132 52.233 7.303 10.350 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.118 6.296 8.358 1.00 0.99 H new ATOM 0 HB3 ASP A 132 50.856 5.253 9.557 1.00 0.99 H new ATOM 735 N ILE A 133 53.068 6.948 7.269 1.00 0.78 N ATOM 736 CA ILE A 133 54.131 6.369 6.398 1.00 0.73 C ATOM 737 C ILE A 133 55.367 7.273 6.396 1.00 0.66 C ATOM 738 O ILE A 133 56.466 6.837 6.121 1.00 0.63 O ATOM 739 CB ILE A 133 53.511 6.309 5.002 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.414 5.243 4.977 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.591 5.953 3.980 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.768 5.206 3.590 1.00 0.96 C ATOM 0 H ILE A 133 52.484 7.658 6.828 1.00 0.78 H new ATOM 0 HA ILE A 133 54.456 5.388 6.743 1.00 0.73 H new ATOM 0 HB ILE A 133 53.081 7.279 4.753 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.835 4.267 5.220 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.662 5.463 5.734 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.150 5.910 2.984 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.373 6.712 3.998 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.021 4.983 4.228 1.00 1.14 H new ATOM 0 HD11 ILE A 133 50.987 4.446 3.573 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.333 6.180 3.365 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.524 4.966 2.843 1.00 0.96 H new ATOM 754 N GLU A 134 55.194 8.531 6.699 1.00 0.73 N ATOM 755 CA GLU A 134 56.359 9.462 6.713 1.00 0.77 C ATOM 756 C GLU A 134 57.234 9.199 7.940 1.00 0.70 C ATOM 757 O GLU A 134 58.357 9.653 8.023 1.00 0.68 O ATOM 758 CB GLU A 134 55.745 10.860 6.785 1.00 0.96 C ATOM 759 CG GLU A 134 55.508 11.389 5.370 1.00 0.95 C ATOM 760 CD GLU A 134 55.425 12.917 5.404 1.00 1.60 C ATOM 761 OE1 GLU A 134 54.848 13.438 6.344 1.00 2.07 O ATOM 762 OE2 GLU A 134 55.941 13.540 4.490 1.00 2.27 O ATOM 0 H GLU A 134 54.297 8.954 6.937 1.00 0.73 H new ATOM 0 HA GLU A 134 56.996 9.339 5.837 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.804 10.827 7.334 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.409 11.532 7.329 1.00 0.96 H new ATOM 0 HG2 GLU A 134 56.317 11.073 4.712 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.586 10.973 4.964 1.00 0.95 H new ATOM 769 N GLU A 135 56.726 8.470 8.897 1.00 0.74 N ATOM 770 CA GLU A 135 57.529 8.182 10.119 1.00 0.76 C ATOM 771 C GLU A 135 58.349 6.902 9.933 1.00 0.66 C ATOM 772 O GLU A 135 59.517 6.850 10.263 1.00 0.74 O ATOM 773 CB GLU A 135 56.499 8.002 11.235 1.00 0.88 C ATOM 774 CG GLU A 135 57.113 8.429 12.569 1.00 1.20 C ATOM 775 CD GLU A 135 56.255 7.900 13.720 1.00 1.48 C ATOM 776 OE1 GLU A 135 55.053 8.104 13.679 1.00 1.95 O ATOM 777 OE2 GLU A 135 56.814 7.297 14.621 1.00 2.16 O ATOM 0 H GLU A 135 55.791 8.062 8.885 1.00 0.74 H new ATOM 0 HA GLU A 135 58.239 8.979 10.341 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.611 8.597 11.024 1.00 0.88 H new ATOM 0 HB3 GLU A 135 56.180 6.961 11.286 1.00 0.88 H new ATOM 0 HG2 GLU A 135 58.129 8.045 12.653 1.00 1.20 H new ATOM 0 HG3 GLU A 135 57.178 9.516 12.620 1.00 1.20 H new ATOM 784 N LEU A 136 57.748 5.869 9.409 1.00 0.62 N ATOM 785 CA LEU A 136 58.500 4.597 9.207 1.00 0.66 C ATOM 786 C LEU A 136 59.632 4.806 8.197 1.00 0.61 C ATOM 787 O LEU A 136 60.674 4.185 8.281 1.00 0.70 O ATOM 788 CB LEU A 136 57.467 3.597 8.676 1.00 0.77 C ATOM 789 CG LEU A 136 57.193 3.869 7.195 1.00 0.86 C ATOM 790 CD1 LEU A 136 58.267 3.189 6.343 1.00 1.63 C ATOM 791 CD2 LEU A 136 55.819 3.307 6.823 1.00 1.38 C ATOM 0 H LEU A 136 56.772 5.850 9.113 1.00 0.62 H new ATOM 0 HA LEU A 136 58.964 4.241 10.127 1.00 0.66 H new ATOM 0 HB2 LEU A 136 57.833 2.579 8.806 1.00 0.77 H new ATOM 0 HB3 LEU A 136 56.542 3.678 9.247 1.00 0.77 H new ATOM 0 HG LEU A 136 57.211 4.943 7.013 1.00 0.86 H new ATOM 0 HD11 LEU A 136 58.072 3.383 5.288 1.00 1.63 H new ATOM 0 HD12 LEU A 136 59.247 3.585 6.609 1.00 1.63 H new ATOM 0 HD13 LEU A 136 58.248 2.114 6.524 1.00 1.63 H new ATOM 0 HD21 LEU A 136 55.621 3.499 5.769 1.00 1.38 H new ATOM 0 HD22 LEU A 136 55.804 2.232 7.005 1.00 1.38 H new ATOM 0 HD23 LEU A 136 55.052 3.789 7.430 1.00 1.38 H new ATOM 803 N MET A 137 59.441 5.680 7.246 1.00 0.55 N ATOM 804 CA MET A 137 60.511 5.929 6.239 1.00 0.59 C ATOM 805 C MET A 137 61.733 6.552 6.918 1.00 0.65 C ATOM 806 O MET A 137 62.853 6.124 6.720 1.00 0.81 O ATOM 807 CB MET A 137 59.890 6.907 5.240 1.00 0.60 C ATOM 808 CG MET A 137 60.996 7.591 4.432 1.00 0.96 C ATOM 809 SD MET A 137 62.008 6.337 3.611 1.00 1.23 S ATOM 810 CE MET A 137 61.249 6.482 1.974 1.00 1.35 C ATOM 0 H MET A 137 58.592 6.231 7.123 1.00 0.55 H new ATOM 0 HA MET A 137 60.850 5.014 5.754 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.212 6.377 4.571 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.297 7.654 5.768 1.00 0.60 H new ATOM 0 HG2 MET A 137 60.559 8.262 3.692 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.616 8.201 5.089 1.00 0.96 H new ATOM 0 HE1 MET A 137 61.363 5.541 1.436 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.189 6.712 2.083 1.00 1.35 H new ATOM 0 HE3 MET A 137 61.737 7.281 1.416 1.00 1.35 H new ATOM 820 N LYS A 138 61.525 7.559 7.721 1.00 0.62 N ATOM 821 CA LYS A 138 62.673 8.208 8.415 1.00 0.79 C ATOM 822 C LYS A 138 63.528 7.153 9.120 1.00 0.86 C ATOM 823 O LYS A 138 64.734 7.274 9.208 1.00 1.16 O ATOM 824 CB LYS A 138 62.033 9.149 9.436 1.00 0.87 C ATOM 825 CG LYS A 138 63.104 10.064 10.029 1.00 1.55 C ATOM 826 CD LYS A 138 62.861 11.501 9.565 1.00 2.07 C ATOM 827 CE LYS A 138 62.174 12.290 10.684 1.00 2.85 C ATOM 828 NZ LYS A 138 63.227 13.199 11.214 1.00 3.36 N ATOM 0 H LYS A 138 60.610 7.960 7.927 1.00 0.62 H new ATOM 0 HA LYS A 138 63.329 8.738 7.725 1.00 0.79 H new ATOM 0 HB2 LYS A 138 61.254 9.745 8.959 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.554 8.572 10.227 1.00 0.87 H new ATOM 0 HG2 LYS A 138 63.079 10.013 11.118 1.00 1.55 H new ATOM 0 HG3 LYS A 138 64.094 9.732 9.717 1.00 1.55 H new ATOM 0 HD2 LYS A 138 63.807 11.974 9.300 1.00 2.07 H new ATOM 0 HD3 LYS A 138 62.241 11.505 8.669 1.00 2.07 H new ATOM 0 HE2 LYS A 138 61.321 12.852 10.304 1.00 2.85 H new ATOM 0 HE3 LYS A 138 61.797 11.626 11.462 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 62.833 13.774 11.986 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 64.023 12.635 11.574 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 63.562 13.824 10.453 1.00 3.36 H new ATOM 842 N ASP A 139 62.912 6.117 9.621 1.00 0.71 N ATOM 843 CA ASP A 139 63.689 5.054 10.320 1.00 0.85 C ATOM 844 C ASP A 139 64.394 4.155 9.298 1.00 0.85 C ATOM 845 O ASP A 139 65.453 3.619 9.558 1.00 1.02 O ATOM 846 CB ASP A 139 62.647 4.257 11.106 1.00 0.97 C ATOM 847 CG ASP A 139 63.352 3.355 12.120 1.00 1.50 C ATOM 848 OD1 ASP A 139 63.571 3.806 13.233 1.00 1.80 O ATOM 849 OD2 ASP A 139 63.661 2.228 11.768 1.00 2.33 O ATOM 0 H ASP A 139 61.905 5.961 9.577 1.00 0.71 H new ATOM 0 HA ASP A 139 64.463 5.465 10.968 1.00 0.85 H new ATOM 0 HB2 ASP A 139 61.966 4.936 11.619 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.045 3.655 10.425 1.00 0.97 H new ATOM 854 N GLY A 140 63.815 3.987 8.141 1.00 0.81 N ATOM 855 CA GLY A 140 64.453 3.122 7.107 1.00 0.86 C ATOM 856 C GLY A 140 65.760 3.765 6.639 1.00 0.77 C ATOM 857 O GLY A 140 66.763 3.101 6.466 1.00 0.86 O ATOM 0 H GLY A 140 62.929 4.411 7.866 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.649 2.131 7.517 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.778 2.989 6.262 1.00 0.86 H new ATOM 861 N ASP A 141 65.758 5.053 6.432 1.00 0.70 N ATOM 862 CA ASP A 141 67.001 5.739 5.975 1.00 0.66 C ATOM 863 C ASP A 141 68.120 5.545 7.003 1.00 0.74 C ATOM 864 O ASP A 141 68.151 6.196 8.028 1.00 0.87 O ATOM 865 CB ASP A 141 66.620 7.216 5.871 1.00 0.66 C ATOM 866 CG ASP A 141 66.186 7.536 4.440 1.00 0.76 C ATOM 867 OD1 ASP A 141 65.761 6.623 3.753 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.286 8.690 4.056 1.00 0.83 O ATOM 0 H ASP A 141 64.949 5.661 6.559 1.00 0.70 H new ATOM 0 HA ASP A 141 67.368 5.344 5.028 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.812 7.443 6.566 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.467 7.841 6.153 1.00 0.66 H new ATOM 873 N LYS A 142 69.037 4.654 6.740 1.00 0.75 N ATOM 874 CA LYS A 142 70.149 4.424 7.709 1.00 0.87 C ATOM 875 C LYS A 142 71.052 5.660 7.786 1.00 0.89 C ATOM 876 O LYS A 142 71.929 5.746 8.622 1.00 1.05 O ATOM 877 CB LYS A 142 70.925 3.229 7.152 1.00 0.89 C ATOM 878 CG LYS A 142 71.699 2.551 8.283 1.00 1.24 C ATOM 879 CD LYS A 142 73.141 2.296 7.838 1.00 1.26 C ATOM 880 CE LYS A 142 73.781 1.252 8.755 1.00 1.55 C ATOM 881 NZ LYS A 142 74.532 0.347 7.842 1.00 1.99 N ATOM 0 H LYS A 142 69.065 4.077 5.900 1.00 0.75 H new ATOM 0 HA LYS A 142 69.781 4.236 8.718 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.238 2.519 6.691 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.613 3.559 6.374 1.00 0.89 H new ATOM 0 HG2 LYS A 142 71.688 3.181 9.173 1.00 1.24 H new ATOM 0 HG3 LYS A 142 71.219 1.610 8.552 1.00 1.24 H new ATOM 0 HD2 LYS A 142 73.158 1.948 6.805 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.712 3.224 7.871 1.00 1.26 H new ATOM 0 HE2 LYS A 142 74.445 1.719 9.482 1.00 1.55 H new ATOM 0 HE3 LYS A 142 73.025 0.705 9.319 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 74.999 -0.397 8.398 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 73.873 -0.089 7.166 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 75.249 0.894 7.324 1.00 1.99 H new ATOM 895 N ASN A 143 70.845 6.614 6.920 1.00 0.85 N ATOM 896 CA ASN A 143 71.695 7.840 6.948 1.00 1.05 C ATOM 897 C ASN A 143 70.819 9.096 6.910 1.00 1.07 C ATOM 898 O ASN A 143 71.310 10.207 6.899 1.00 1.56 O ATOM 899 CB ASN A 143 72.557 7.751 5.688 1.00 1.08 C ATOM 900 CG ASN A 143 71.657 7.752 4.451 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.574 8.300 4.475 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.062 7.156 3.364 1.00 1.48 N ATOM 0 H ASN A 143 70.127 6.599 6.196 1.00 0.85 H new ATOM 0 HA ASN A 143 72.298 7.903 7.854 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.249 8.592 5.648 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.160 6.843 5.711 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.469 7.150 2.534 1.00 1.48 H new ATOM 0 HD22 ASN A 143 72.972 6.696 3.344 1.00 1.48 H new ATOM 909 N ASN A 144 69.525 8.927 6.893 1.00 0.78 N ATOM 910 CA ASN A 144 68.618 10.112 6.857 1.00 0.82 C ATOM 911 C ASN A 144 69.073 11.093 5.772 1.00 0.82 C ATOM 912 O ASN A 144 69.755 12.061 6.044 1.00 0.92 O ATOM 913 CB ASN A 144 68.744 10.748 8.242 1.00 0.95 C ATOM 914 CG ASN A 144 68.477 9.693 9.316 1.00 1.47 C ATOM 915 OD1 ASN A 144 67.352 9.280 9.514 1.00 2.28 O ATOM 916 ND2 ASN A 144 69.473 9.238 10.026 1.00 1.93 N ATOM 0 H ASN A 144 69.056 8.021 6.902 1.00 0.78 H new ATOM 0 HA ASN A 144 67.589 9.838 6.626 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.741 11.169 8.371 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.036 11.571 8.342 1.00 0.95 H new ATOM 0 HD21 ASN A 144 69.307 8.536 10.747 1.00 1.93 H new ATOM 0 HD22 ASN A 144 70.418 9.585 9.860 1.00 1.93 H new ATOM 923 N ASP A 145 68.705 10.849 4.544 1.00 0.75 N ATOM 924 CA ASP A 145 69.123 11.769 3.446 1.00 0.78 C ATOM 925 C ASP A 145 67.904 12.231 2.638 1.00 0.74 C ATOM 926 O ASP A 145 67.973 13.185 1.887 1.00 0.81 O ATOM 927 CB ASP A 145 70.061 10.937 2.571 1.00 0.76 C ATOM 928 CG ASP A 145 69.360 9.642 2.157 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.140 9.630 2.146 1.00 1.72 O ATOM 930 OD2 ASP A 145 70.054 8.685 1.859 1.00 1.85 O ATOM 0 H ASP A 145 68.135 10.055 4.253 1.00 0.75 H new ATOM 0 HA ASP A 145 69.606 12.669 3.826 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.350 11.505 1.687 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.977 10.709 3.116 1.00 0.76 H new ATOM 935 N GLY A 146 66.790 11.565 2.782 1.00 0.69 N ATOM 936 CA GLY A 146 65.576 11.971 2.019 1.00 0.70 C ATOM 937 C GLY A 146 65.110 10.804 1.147 1.00 0.58 C ATOM 938 O GLY A 146 63.939 10.484 1.093 1.00 0.62 O ATOM 0 H GLY A 146 66.669 10.758 3.394 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.783 12.265 2.706 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.797 12.838 1.397 1.00 0.70 H new ATOM 942 N ARG A 147 66.020 10.162 0.466 1.00 0.54 N ATOM 943 CA ARG A 147 65.629 9.011 -0.398 1.00 0.49 C ATOM 944 C ARG A 147 66.190 7.710 0.178 1.00 0.44 C ATOM 945 O ARG A 147 66.749 7.686 1.257 1.00 0.56 O ATOM 946 CB ARG A 147 66.246 9.299 -1.771 1.00 0.57 C ATOM 947 CG ARG A 147 67.671 9.830 -1.599 1.00 0.78 C ATOM 948 CD ARG A 147 68.385 9.826 -2.953 1.00 0.73 C ATOM 949 NE ARG A 147 67.687 10.865 -3.760 1.00 1.07 N ATOM 950 CZ ARG A 147 68.000 12.123 -3.614 1.00 1.60 C ATOM 951 NH1 ARG A 147 69.251 12.474 -3.484 1.00 2.32 N ATOM 952 NH2 ARG A 147 67.064 13.032 -3.599 1.00 2.22 N ATOM 0 H ARG A 147 67.016 10.384 0.470 1.00 0.54 H new ATOM 0 HA ARG A 147 64.547 8.897 -0.461 1.00 0.49 H new ATOM 0 HB2 ARG A 147 66.257 8.390 -2.373 1.00 0.57 H new ATOM 0 HB3 ARG A 147 65.639 10.028 -2.307 1.00 0.57 H new ATOM 0 HG2 ARG A 147 67.647 10.841 -1.192 1.00 0.78 H new ATOM 0 HG3 ARG A 147 68.217 9.212 -0.886 1.00 0.78 H new ATOM 0 HD2 ARG A 147 69.444 10.058 -2.841 1.00 0.73 H new ATOM 0 HD3 ARG A 147 68.322 8.848 -3.430 1.00 0.73 H new ATOM 0 HE ARG A 147 66.964 10.593 -4.427 1.00 1.07 H new ATOM 0 HH11 ARG A 147 69.984 11.765 -3.497 1.00 2.32 H new ATOM 0 HH12 ARG A 147 69.495 13.458 -3.370 1.00 2.32 H new ATOM 0 HH21 ARG A 147 66.087 12.759 -3.701 1.00 2.22 H new ATOM 0 HH22 ARG A 147 67.310 14.015 -3.485 1.00 2.22 H new ATOM 966 N ILE A 148 66.048 6.629 -0.534 1.00 0.35 N ATOM 967 CA ILE A 148 66.575 5.329 -0.031 1.00 0.36 C ATOM 968 C ILE A 148 67.310 4.592 -1.153 1.00 0.40 C ATOM 969 O ILE A 148 66.753 4.315 -2.196 1.00 0.41 O ATOM 970 CB ILE A 148 65.337 4.547 0.422 1.00 0.35 C ATOM 971 CG1 ILE A 148 64.938 5.007 1.826 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.648 3.048 0.453 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.836 4.097 2.370 1.00 0.40 C ATOM 0 H ILE A 148 65.589 6.588 -1.444 1.00 0.35 H new ATOM 0 HA ILE A 148 67.290 5.454 0.782 1.00 0.36 H new ATOM 0 HB ILE A 148 64.521 4.730 -0.277 1.00 0.35 H new ATOM 0 HG12 ILE A 148 65.804 4.982 2.488 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.589 6.039 1.796 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.763 2.499 0.776 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.937 2.716 -0.544 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.465 2.860 1.149 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.553 4.426 3.370 1.00 0.40 H new ATOM 0 HD12 ILE A 148 62.968 4.145 1.713 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.201 3.071 2.415 1.00 0.40 H new ATOM 985 N ASP A 149 68.554 4.269 -0.940 1.00 0.47 N ATOM 986 CA ASP A 149 69.325 3.543 -1.991 1.00 0.55 C ATOM 987 C ASP A 149 69.321 2.040 -1.697 1.00 0.58 C ATOM 988 O ASP A 149 68.548 1.559 -0.894 1.00 0.54 O ATOM 989 CB ASP A 149 70.747 4.107 -1.916 1.00 0.65 C ATOM 990 CG ASP A 149 71.226 4.121 -0.463 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.447 3.050 0.077 1.00 2.00 O ATOM 992 OD2 ASP A 149 71.363 5.202 0.085 1.00 2.16 O ATOM 0 H ASP A 149 69.071 4.475 -0.085 1.00 0.47 H new ATOM 0 HA ASP A 149 68.895 3.676 -2.984 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.420 3.502 -2.524 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.769 5.117 -2.325 1.00 0.65 H new ATOM 997 N TYR A 150 70.171 1.294 -2.346 1.00 0.67 N ATOM 998 CA TYR A 150 70.206 -0.178 -2.103 1.00 0.73 C ATOM 999 C TYR A 150 70.583 -0.472 -0.648 1.00 0.75 C ATOM 1000 O TYR A 150 70.114 -1.423 -0.056 1.00 0.76 O ATOM 1001 CB TYR A 150 71.278 -0.714 -3.052 1.00 0.84 C ATOM 1002 CG TYR A 150 71.015 -2.173 -3.334 1.00 0.97 C ATOM 1003 CD1 TYR A 150 69.724 -2.601 -3.662 1.00 1.74 C ATOM 1004 CD2 TYR A 150 72.064 -3.099 -3.268 1.00 1.63 C ATOM 1005 CE1 TYR A 150 69.478 -3.954 -3.923 1.00 2.14 C ATOM 1006 CE2 TYR A 150 71.819 -4.453 -3.529 1.00 2.06 C ATOM 1007 CZ TYR A 150 70.527 -4.880 -3.857 1.00 2.02 C ATOM 1008 OH TYR A 150 70.286 -6.214 -4.115 1.00 2.63 O ATOM 0 H TYR A 150 70.842 1.638 -3.033 1.00 0.67 H new ATOM 0 HA TYR A 150 69.236 -0.644 -2.278 1.00 0.73 H new ATOM 0 HB2 TYR A 150 71.273 -0.146 -3.982 1.00 0.84 H new ATOM 0 HB3 TYR A 150 72.266 -0.590 -2.609 1.00 0.84 H new ATOM 0 HD1 TYR A 150 68.916 -1.886 -3.714 1.00 1.74 H new ATOM 0 HD2 TYR A 150 73.061 -2.769 -3.016 1.00 1.63 H new ATOM 0 HE1 TYR A 150 68.481 -4.284 -4.175 1.00 2.14 H new ATOM 0 HE2 TYR A 150 72.627 -5.168 -3.477 1.00 2.06 H new ATOM 0 HH TYR A 150 71.121 -6.720 -4.027 1.00 2.63 H new ATOM 1018 N ASP A 151 71.429 0.334 -0.069 1.00 0.78 N ATOM 1019 CA ASP A 151 71.836 0.095 1.347 1.00 0.82 C ATOM 1020 C ASP A 151 70.672 0.395 2.296 1.00 0.74 C ATOM 1021 O ASP A 151 70.109 -0.493 2.904 1.00 0.76 O ATOM 1022 CB ASP A 151 72.992 1.063 1.596 1.00 0.87 C ATOM 1023 CG ASP A 151 74.249 0.270 1.958 1.00 1.31 C ATOM 1024 OD1 ASP A 151 74.106 -0.826 2.473 1.00 1.67 O ATOM 1025 OD2 ASP A 151 75.334 0.772 1.714 1.00 2.08 O ATOM 0 H ASP A 151 71.856 1.147 -0.513 1.00 0.78 H new ATOM 0 HA ASP A 151 72.125 -0.941 1.521 1.00 0.82 H new ATOM 0 HB2 ASP A 151 73.173 1.667 0.707 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.738 1.751 2.402 1.00 0.87 H new ATOM 1030 N GLU A 152 70.312 1.642 2.432 1.00 0.67 N ATOM 1031 CA GLU A 152 69.189 1.999 3.347 1.00 0.61 C ATOM 1032 C GLU A 152 67.988 1.083 3.094 1.00 0.58 C ATOM 1033 O GLU A 152 67.295 0.683 4.009 1.00 0.58 O ATOM 1034 CB GLU A 152 68.836 3.447 3.001 1.00 0.59 C ATOM 1035 CG GLU A 152 70.088 4.322 3.088 1.00 0.76 C ATOM 1036 CD GLU A 152 69.673 5.791 3.173 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.458 6.262 4.277 1.00 1.20 O ATOM 1038 OE2 GLU A 152 69.574 6.419 2.133 1.00 1.39 O ATOM 0 H GLU A 152 70.746 2.429 1.950 1.00 0.67 H new ATOM 0 HA GLU A 152 69.463 1.885 4.396 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.415 3.498 1.997 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.074 3.818 3.686 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.677 4.048 3.963 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.720 4.161 2.215 1.00 0.76 H new ATOM 1045 N PHE A 153 67.734 0.751 1.858 1.00 0.60 N ATOM 1046 CA PHE A 153 66.575 -0.134 1.544 1.00 0.61 C ATOM 1047 C PHE A 153 66.783 -1.523 2.154 1.00 0.66 C ATOM 1048 O PHE A 153 65.915 -2.056 2.817 1.00 0.71 O ATOM 1049 CB PHE A 153 66.549 -0.212 0.017 1.00 0.64 C ATOM 1050 CG PHE A 153 65.377 -1.056 -0.427 1.00 0.68 C ATOM 1051 CD1 PHE A 153 64.128 -0.460 -0.638 1.00 1.47 C ATOM 1052 CD2 PHE A 153 65.541 -2.432 -0.631 1.00 1.18 C ATOM 1053 CE1 PHE A 153 63.041 -1.241 -1.053 1.00 1.55 C ATOM 1054 CE2 PHE A 153 64.455 -3.211 -1.048 1.00 1.24 C ATOM 1055 CZ PHE A 153 63.205 -2.616 -1.258 1.00 0.93 C ATOM 0 H PHE A 153 68.279 1.054 1.051 1.00 0.60 H new ATOM 0 HA PHE A 153 65.639 0.247 1.951 1.00 0.61 H new ATOM 0 HB2 PHE A 153 66.471 0.789 -0.407 1.00 0.64 H new ATOM 0 HB3 PHE A 153 67.480 -0.642 -0.351 1.00 0.64 H new ATOM 0 HD1 PHE A 153 64.002 0.601 -0.481 1.00 1.47 H new ATOM 0 HD2 PHE A 153 66.504 -2.892 -0.467 1.00 1.18 H new ATOM 0 HE1 PHE A 153 62.077 -0.782 -1.215 1.00 1.55 H new ATOM 0 HE2 PHE A 153 64.581 -4.272 -1.208 1.00 1.24 H new ATOM 0 HZ PHE A 153 62.367 -3.218 -1.578 1.00 0.93 H new ATOM 1065 N LEU A 154 67.924 -2.116 1.932 1.00 0.72 N ATOM 1066 CA LEU A 154 68.181 -3.473 2.499 1.00 0.80 C ATOM 1067 C LEU A 154 67.730 -3.534 3.962 1.00 0.79 C ATOM 1068 O LEU A 154 66.986 -4.410 4.356 1.00 0.82 O ATOM 1069 CB LEU A 154 69.694 -3.667 2.395 1.00 0.92 C ATOM 1070 CG LEU A 154 70.008 -4.658 1.272 1.00 0.85 C ATOM 1071 CD1 LEU A 154 69.345 -6.003 1.575 1.00 1.74 C ATOM 1072 CD2 LEU A 154 69.471 -4.114 -0.055 1.00 1.54 C ATOM 0 H LEU A 154 68.689 -1.722 1.384 1.00 0.72 H new ATOM 0 HA LEU A 154 67.633 -4.251 1.968 1.00 0.80 H new ATOM 0 HB2 LEU A 154 70.181 -2.712 2.198 1.00 0.92 H new ATOM 0 HB3 LEU A 154 70.089 -4.037 3.341 1.00 0.92 H new ATOM 0 HG LEU A 154 71.087 -4.793 1.201 1.00 0.85 H new ATOM 0 HD11 LEU A 154 69.569 -6.708 0.774 1.00 1.74 H new ATOM 0 HD12 LEU A 154 69.727 -6.392 2.519 1.00 1.74 H new ATOM 0 HD13 LEU A 154 68.266 -5.868 1.648 1.00 1.74 H new ATOM 0 HD21 LEU A 154 69.695 -4.820 -0.855 1.00 1.54 H new ATOM 0 HD22 LEU A 154 68.392 -3.978 0.018 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.944 -3.156 -0.274 1.00 1.54 H new ATOM 1084 N GLU A 155 68.176 -2.612 4.772 1.00 0.79 N ATOM 1085 CA GLU A 155 67.772 -2.623 6.209 1.00 0.82 C ATOM 1086 C GLU A 155 66.311 -2.187 6.352 1.00 0.81 C ATOM 1087 O GLU A 155 65.637 -2.546 7.296 1.00 0.90 O ATOM 1088 CB GLU A 155 68.701 -1.619 6.891 1.00 0.85 C ATOM 1089 CG GLU A 155 69.552 -2.341 7.937 1.00 0.95 C ATOM 1090 CD GLU A 155 70.883 -1.607 8.108 1.00 1.67 C ATOM 1091 OE1 GLU A 155 71.597 -1.481 7.126 1.00 2.27 O ATOM 1092 OE2 GLU A 155 71.168 -1.184 9.217 1.00 2.47 O ATOM 0 H GLU A 155 68.801 -1.853 4.502 1.00 0.79 H new ATOM 0 HA GLU A 155 67.851 -3.616 6.652 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.343 -1.141 6.151 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.117 -0.830 7.364 1.00 0.85 H new ATOM 0 HG2 GLU A 155 69.022 -2.380 8.888 1.00 0.95 H new ATOM 0 HG3 GLU A 155 69.730 -3.371 7.628 1.00 0.95 H new ATOM 1099 N PHE A 156 65.817 -1.414 5.424 1.00 0.75 N ATOM 1100 CA PHE A 156 64.399 -0.956 5.510 1.00 0.78 C ATOM 1101 C PHE A 156 63.459 -2.164 5.561 1.00 0.84 C ATOM 1102 O PHE A 156 62.728 -2.354 6.512 1.00 0.90 O ATOM 1103 CB PHE A 156 64.167 -0.145 4.235 1.00 0.78 C ATOM 1104 CG PHE A 156 62.743 0.355 4.207 1.00 0.85 C ATOM 1105 CD1 PHE A 156 61.689 -0.546 4.004 1.00 1.27 C ATOM 1106 CD2 PHE A 156 62.475 1.717 4.382 1.00 1.66 C ATOM 1107 CE1 PHE A 156 60.368 -0.082 3.978 1.00 1.31 C ATOM 1108 CE2 PHE A 156 61.154 2.181 4.355 1.00 1.77 C ATOM 1109 CZ PHE A 156 60.100 1.281 4.153 1.00 1.10 C ATOM 0 H PHE A 156 66.333 -1.079 4.610 1.00 0.75 H new ATOM 0 HA PHE A 156 64.206 -0.366 6.406 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.859 0.696 4.195 1.00 0.78 H new ATOM 0 HB3 PHE A 156 64.364 -0.762 3.358 1.00 0.78 H new ATOM 0 HD1 PHE A 156 61.895 -1.597 3.868 1.00 1.27 H new ATOM 0 HD2 PHE A 156 63.288 2.411 4.538 1.00 1.66 H new ATOM 0 HE1 PHE A 156 59.555 -0.776 3.823 1.00 1.31 H new ATOM 0 HE2 PHE A 156 60.948 3.233 4.490 1.00 1.77 H new ATOM 0 HZ PHE A 156 59.081 1.638 4.132 1.00 1.10 H new ATOM 1119 N MET A 157 63.473 -2.981 4.544 1.00 0.86 N ATOM 1120 CA MET A 157 62.582 -4.177 4.533 1.00 0.95 C ATOM 1121 C MET A 157 62.764 -4.985 5.820 1.00 0.99 C ATOM 1122 O MET A 157 61.843 -5.611 6.307 1.00 1.12 O ATOM 1123 CB MET A 157 63.031 -4.992 3.320 1.00 0.99 C ATOM 1124 CG MET A 157 63.033 -4.100 2.077 1.00 1.28 C ATOM 1125 SD MET A 157 62.329 -5.013 0.680 1.00 1.48 S ATOM 1126 CE MET A 157 61.003 -3.844 0.293 1.00 1.12 C ATOM 0 H MET A 157 64.063 -2.873 3.719 1.00 0.86 H new ATOM 0 HA MET A 157 61.528 -3.906 4.476 1.00 0.95 H new ATOM 0 HB2 MET A 157 64.028 -5.398 3.491 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.363 -5.840 3.171 1.00 0.99 H new ATOM 0 HG2 MET A 157 62.454 -3.196 2.264 1.00 1.28 H new ATOM 0 HG3 MET A 157 64.050 -3.784 1.844 1.00 1.28 H new ATOM 0 HE1 MET A 157 60.844 -3.818 -0.785 1.00 1.12 H new ATOM 0 HE2 MET A 157 60.084 -4.159 0.788 1.00 1.12 H new ATOM 0 HE3 MET A 157 61.281 -2.850 0.643 1.00 1.12 H new ATOM 1136 N LYS A 158 63.944 -4.978 6.376 1.00 0.94 N ATOM 1137 CA LYS A 158 64.183 -5.746 7.631 1.00 1.02 C ATOM 1138 C LYS A 158 63.503 -5.050 8.812 1.00 1.05 C ATOM 1139 O LYS A 158 62.380 -5.356 9.163 1.00 1.20 O ATOM 1140 CB LYS A 158 65.702 -5.751 7.807 1.00 1.07 C ATOM 1141 CG LYS A 158 66.340 -6.606 6.712 1.00 1.26 C ATOM 1142 CD LYS A 158 67.682 -7.149 7.205 1.00 1.53 C ATOM 1143 CE LYS A 158 68.632 -7.321 6.017 1.00 1.45 C ATOM 1144 NZ LYS A 158 68.650 -8.786 5.747 1.00 2.07 N ATOM 0 H LYS A 158 64.754 -4.473 6.015 1.00 0.94 H new ATOM 0 HA LYS A 158 63.777 -6.756 7.584 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.088 -4.733 7.759 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.964 -6.145 8.789 1.00 1.07 H new ATOM 0 HG2 LYS A 158 65.678 -7.430 6.447 1.00 1.26 H new ATOM 0 HG3 LYS A 158 66.486 -6.011 5.810 1.00 1.26 H new ATOM 0 HD2 LYS A 158 68.116 -6.466 7.935 1.00 1.53 H new ATOM 0 HD3 LYS A 158 67.537 -8.104 7.709 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.282 -6.764 5.148 1.00 1.45 H new ATOM 0 HE3 LYS A 158 69.630 -6.951 6.253 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 69.281 -8.983 4.944 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 68.994 -9.290 6.589 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 67.688 -9.109 5.519 1.00 2.07 H new