USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=8 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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 157 MET CE :methyl -135:sc= -1.96 (180deg=-3.76!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.597 USER MOD Single : A 103 MET CE :methyl -136:sc= -0.0207 (180deg=-1.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -5.12! C(o=-5.1!,f=-5.8!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.16) USER MOD Single : A 129 THR OG1 : rot 17:sc= 0.91 USER MOD Single : A 137 MET CE :methyl 155:sc= -1.23 (180deg=-3.89!) USER MOD Single : A 138 LYS NZ :NH3+ 152:sc= -0.0941 (180deg=-1.34!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -1.75! C(o=-1.8!,f=-2.4!) USER MOD Single : A 144 ASN : amide:sc= -0.973 K(o=-0.97,f=-0.11) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 64.897 -11.411 -3.204 1.00 1.38 N ATOM 156 CA GLU A 96 63.561 -11.069 -3.773 1.00 1.34 C ATOM 157 C GLU A 96 63.123 -9.681 -3.300 1.00 1.16 C ATOM 158 O GLU A 96 62.097 -9.172 -3.704 1.00 1.07 O ATOM 159 CB GLU A 96 62.614 -12.143 -3.234 1.00 1.51 C ATOM 160 CG GLU A 96 62.536 -13.301 -4.230 1.00 2.07 C ATOM 161 CD GLU A 96 63.470 -14.425 -3.779 1.00 2.19 C ATOM 162 OE1 GLU A 96 63.245 -14.962 -2.707 1.00 2.60 O ATOM 163 OE2 GLU A 96 64.396 -14.729 -4.514 1.00 2.61 O ATOM 0 HA GLU A 96 63.571 -11.044 -4.863 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.968 -12.503 -2.268 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.622 -11.721 -3.073 1.00 1.51 H new ATOM 0 HG2 GLU A 96 61.512 -13.669 -4.297 1.00 2.07 H new ATOM 0 HG3 GLU A 96 62.817 -12.958 -5.226 1.00 2.07 H new ATOM 170 N LEU A 97 63.894 -9.063 -2.447 1.00 1.14 N ATOM 171 CA LEU A 97 63.521 -7.707 -1.951 1.00 0.99 C ATOM 172 C LEU A 97 63.910 -6.644 -2.982 1.00 0.82 C ATOM 173 O LEU A 97 63.294 -5.601 -3.073 1.00 0.70 O ATOM 174 CB LEU A 97 64.320 -7.523 -0.661 1.00 1.03 C ATOM 175 CG LEU A 97 63.452 -7.909 0.538 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.267 -7.770 1.824 1.00 1.57 C ATOM 177 CD2 LEU A 97 62.234 -6.985 0.605 1.00 1.71 C ATOM 0 H LEU A 97 64.765 -9.438 -2.072 1.00 1.14 H new ATOM 0 HA LEU A 97 62.449 -7.608 -1.782 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.218 -8.140 -0.686 1.00 1.03 H new ATOM 0 HB3 LEU A 97 64.647 -6.487 -0.568 1.00 1.03 H new ATOM 0 HG LEU A 97 63.120 -8.941 0.428 1.00 1.31 H new ATOM 0 HD11 LEU A 97 63.648 -8.045 2.678 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.135 -8.428 1.778 1.00 1.57 H new ATOM 0 HD13 LEU A 97 64.600 -6.738 1.934 1.00 1.57 H new ATOM 0 HD21 LEU A 97 61.615 -7.260 1.459 1.00 1.71 H new ATOM 0 HD22 LEU A 97 62.566 -5.953 0.715 1.00 1.71 H new ATOM 0 HD23 LEU A 97 61.652 -7.083 -0.311 1.00 1.71 H new ATOM 189 N SER A 98 64.925 -6.901 -3.760 1.00 0.87 N ATOM 190 CA SER A 98 65.350 -5.904 -4.784 1.00 0.78 C ATOM 191 C SER A 98 64.252 -5.734 -5.839 1.00 0.75 C ATOM 192 O SER A 98 63.875 -4.632 -6.184 1.00 0.74 O ATOM 193 CB SER A 98 66.611 -6.495 -5.414 1.00 0.93 C ATOM 194 OG SER A 98 66.247 -7.279 -6.544 1.00 1.41 O ATOM 0 H SER A 98 65.478 -7.757 -3.731 1.00 0.87 H new ATOM 0 HA SER A 98 65.534 -4.920 -4.353 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.290 -5.697 -5.714 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.142 -7.109 -4.686 1.00 0.93 H new ATOM 0 HG SER A 98 67.053 -7.659 -6.952 1.00 1.41 H new ATOM 200 N ASP A 99 63.737 -6.817 -6.352 1.00 0.80 N ATOM 201 CA ASP A 99 62.664 -6.717 -7.383 1.00 0.82 C ATOM 202 C ASP A 99 61.579 -5.741 -6.921 1.00 0.77 C ATOM 203 O ASP A 99 60.989 -5.033 -7.713 1.00 0.77 O ATOM 204 CB ASP A 99 62.096 -8.133 -7.504 1.00 0.93 C ATOM 205 CG ASP A 99 62.514 -8.738 -8.845 1.00 1.45 C ATOM 206 OD1 ASP A 99 63.621 -8.464 -9.277 1.00 2.18 O ATOM 207 OD2 ASP A 99 61.719 -9.466 -9.417 1.00 1.92 O ATOM 0 H ASP A 99 64.012 -7.767 -6.102 1.00 0.80 H new ATOM 0 HA ASP A 99 63.040 -6.347 -8.337 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.459 -8.753 -6.684 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.009 -8.108 -7.427 1.00 0.93 H new ATOM 212 N LEU A 100 61.313 -5.697 -5.645 1.00 0.77 N ATOM 213 CA LEU A 100 60.267 -4.766 -5.132 1.00 0.77 C ATOM 214 C LEU A 100 60.757 -3.319 -5.227 1.00 0.64 C ATOM 215 O LEU A 100 60.039 -2.438 -5.654 1.00 0.64 O ATOM 216 CB LEU A 100 60.060 -5.172 -3.673 1.00 0.85 C ATOM 217 CG LEU A 100 59.469 -6.581 -3.615 1.00 1.16 C ATOM 218 CD1 LEU A 100 58.994 -6.879 -2.192 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.283 -6.676 -4.578 1.00 1.57 C ATOM 0 H LEU A 100 61.774 -6.265 -4.935 1.00 0.77 H new ATOM 0 HA LEU A 100 59.341 -4.824 -5.705 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.009 -5.142 -3.138 1.00 0.85 H new ATOM 0 HB3 LEU A 100 59.393 -4.466 -3.179 1.00 0.85 H new ATOM 0 HG LEU A 100 60.231 -7.306 -3.902 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.573 -7.884 -2.152 1.00 1.54 H new ATOM 0 HD12 LEU A 100 59.838 -6.811 -1.505 1.00 1.54 H new ATOM 0 HD13 LEU A 100 58.232 -6.155 -1.903 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.861 -7.680 -4.537 1.00 1.57 H new ATOM 0 HD22 LEU A 100 57.522 -5.951 -4.291 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.620 -6.465 -5.593 1.00 1.57 H new ATOM 231 N PHE A 101 61.976 -3.069 -4.834 1.00 0.60 N ATOM 232 CA PHE A 101 62.511 -1.680 -4.907 1.00 0.53 C ATOM 233 C PHE A 101 62.402 -1.151 -6.339 1.00 0.49 C ATOM 234 O PHE A 101 61.873 -0.084 -6.580 1.00 0.61 O ATOM 235 CB PHE A 101 63.977 -1.798 -4.488 1.00 0.57 C ATOM 236 CG PHE A 101 64.630 -0.439 -4.546 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.017 0.101 -5.778 1.00 1.31 C ATOM 238 CD2 PHE A 101 64.849 0.281 -3.366 1.00 1.23 C ATOM 239 CE1 PHE A 101 65.623 1.363 -5.829 1.00 1.30 C ATOM 240 CE2 PHE A 101 65.456 1.541 -3.416 1.00 1.23 C ATOM 241 CZ PHE A 101 65.842 2.081 -4.648 1.00 0.40 C ATOM 0 H PHE A 101 62.624 -3.766 -4.466 1.00 0.60 H new ATOM 0 HA PHE A 101 61.961 -0.989 -4.269 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.046 -2.203 -3.478 1.00 0.57 H new ATOM 0 HB3 PHE A 101 64.499 -2.492 -5.146 1.00 0.57 H new ATOM 0 HD1 PHE A 101 64.849 -0.455 -6.689 1.00 1.31 H new ATOM 0 HD2 PHE A 101 64.549 -0.136 -2.416 1.00 1.23 H new ATOM 0 HE1 PHE A 101 65.921 1.781 -6.779 1.00 1.30 H new ATOM 0 HE2 PHE A 101 65.626 2.096 -2.505 1.00 1.23 H new ATOM 0 HZ PHE A 101 66.310 3.054 -4.687 1.00 0.40 H new ATOM 251 N ARG A 102 62.895 -1.894 -7.292 1.00 0.53 N ATOM 252 CA ARG A 102 62.817 -1.440 -8.708 1.00 0.70 C ATOM 253 C ARG A 102 61.358 -1.422 -9.172 1.00 0.80 C ATOM 254 O ARG A 102 60.988 -0.683 -10.063 1.00 1.09 O ATOM 255 CB ARG A 102 63.622 -2.472 -9.500 1.00 0.87 C ATOM 256 CG ARG A 102 63.408 -2.252 -10.999 1.00 1.28 C ATOM 257 CD ARG A 102 63.832 -3.507 -11.765 1.00 1.83 C ATOM 258 NE ARG A 102 62.569 -4.054 -12.335 1.00 2.26 N ATOM 259 CZ ARG A 102 61.963 -5.048 -11.744 1.00 2.89 C ATOM 260 NH1 ARG A 102 61.256 -4.832 -10.668 1.00 3.22 N ATOM 261 NH2 ARG A 102 62.063 -6.256 -12.228 1.00 3.68 N ATOM 0 H ARG A 102 63.349 -2.796 -7.150 1.00 0.53 H new ATOM 0 HA ARG A 102 63.207 -0.431 -8.844 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.681 -2.386 -9.257 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.313 -3.480 -9.223 1.00 0.87 H new ATOM 0 HG2 ARG A 102 62.360 -2.028 -11.198 1.00 1.28 H new ATOM 0 HG3 ARG A 102 63.988 -1.393 -11.338 1.00 1.28 H new ATOM 0 HD2 ARG A 102 64.548 -3.267 -12.551 1.00 1.83 H new ATOM 0 HD3 ARG A 102 64.313 -4.229 -11.105 1.00 1.83 H new ATOM 0 HE ARG A 102 62.178 -3.652 -13.187 1.00 2.26 H new ATOM 0 HH11 ARG A 102 61.178 -3.888 -10.290 1.00 3.22 H new ATOM 0 HH12 ARG A 102 60.782 -5.607 -10.205 1.00 3.22 H new ATOM 0 HH21 ARG A 102 62.615 -6.424 -13.069 1.00 3.68 H new ATOM 0 HH22 ARG A 102 61.589 -7.032 -11.765 1.00 3.68 H new ATOM 275 N MET A 103 60.526 -2.229 -8.573 1.00 0.68 N ATOM 276 CA MET A 103 59.092 -2.258 -8.979 1.00 0.81 C ATOM 277 C MET A 103 58.289 -1.248 -8.155 1.00 0.79 C ATOM 278 O MET A 103 57.092 -1.114 -8.316 1.00 0.90 O ATOM 279 CB MET A 103 58.625 -3.684 -8.681 1.00 0.91 C ATOM 280 CG MET A 103 57.144 -3.820 -9.038 1.00 1.35 C ATOM 281 SD MET A 103 56.721 -5.573 -9.197 1.00 1.92 S ATOM 282 CE MET A 103 56.514 -5.918 -7.433 1.00 1.63 C ATOM 0 H MET A 103 60.777 -2.870 -7.820 1.00 0.68 H new ATOM 0 HA MET A 103 58.954 -1.994 -10.028 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.215 -4.399 -9.254 1.00 0.91 H new ATOM 0 HB3 MET A 103 58.779 -3.916 -7.627 1.00 0.91 H new ATOM 0 HG2 MET A 103 56.529 -3.355 -8.268 1.00 1.35 H new ATOM 0 HG3 MET A 103 56.934 -3.298 -9.972 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.000 -6.862 -7.187 1.00 1.63 H new ATOM 0 HE2 MET A 103 56.965 -5.115 -6.850 1.00 1.63 H new ATOM 0 HE3 MET A 103 55.452 -5.985 -7.198 1.00 1.63 H new ATOM 292 N PHE A 104 58.937 -0.534 -7.277 1.00 0.71 N ATOM 293 CA PHE A 104 58.209 0.469 -6.445 1.00 0.75 C ATOM 294 C PHE A 104 58.800 1.864 -6.664 1.00 0.68 C ATOM 295 O PHE A 104 58.307 2.846 -6.146 1.00 0.80 O ATOM 296 CB PHE A 104 58.420 0.016 -5.000 1.00 0.76 C ATOM 297 CG PHE A 104 57.337 -0.963 -4.613 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.989 -0.608 -4.752 1.00 1.67 C ATOM 299 CD2 PHE A 104 57.680 -2.225 -4.115 1.00 1.71 C ATOM 300 CE1 PHE A 104 54.986 -1.517 -4.394 1.00 1.90 C ATOM 301 CE2 PHE A 104 56.677 -3.134 -3.757 1.00 2.03 C ATOM 302 CZ PHE A 104 55.329 -2.779 -3.896 1.00 1.76 C ATOM 0 H PHE A 104 59.939 -0.600 -7.098 1.00 0.71 H new ATOM 0 HA PHE A 104 57.151 0.528 -6.701 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.400 -0.449 -4.893 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.402 0.877 -4.332 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.724 0.366 -5.135 1.00 1.67 H new ATOM 0 HD2 PHE A 104 58.719 -2.498 -4.007 1.00 1.71 H new ATOM 0 HE1 PHE A 104 53.947 -1.244 -4.502 1.00 1.90 H new ATOM 0 HE2 PHE A 104 56.942 -4.108 -3.374 1.00 2.03 H new ATOM 0 HZ PHE A 104 54.555 -3.479 -3.619 1.00 1.76 H new ATOM 312 N ASP A 105 59.854 1.959 -7.430 1.00 0.58 N ATOM 313 CA ASP A 105 60.476 3.290 -7.684 1.00 0.52 C ATOM 314 C ASP A 105 59.596 4.108 -8.633 1.00 0.52 C ATOM 315 O ASP A 105 59.830 4.157 -9.825 1.00 0.60 O ATOM 316 CB ASP A 105 61.825 2.981 -8.336 1.00 0.60 C ATOM 317 CG ASP A 105 62.806 4.122 -8.052 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.456 5.002 -7.282 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.891 4.096 -8.611 1.00 0.54 O ATOM 0 H ASP A 105 60.311 1.172 -7.891 1.00 0.58 H new ATOM 0 HA ASP A 105 60.591 3.874 -6.771 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.221 2.042 -7.948 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.700 2.854 -9.411 1.00 0.60 H new ATOM 324 N LYS A 106 58.586 4.748 -8.113 1.00 0.51 N ATOM 325 CA LYS A 106 57.691 5.561 -8.982 1.00 0.60 C ATOM 326 C LYS A 106 58.485 6.686 -9.652 1.00 0.59 C ATOM 327 O LYS A 106 58.208 7.072 -10.770 1.00 0.70 O ATOM 328 CB LYS A 106 56.636 6.135 -8.036 1.00 0.63 C ATOM 329 CG LYS A 106 55.654 7.002 -8.825 1.00 1.39 C ATOM 330 CD LYS A 106 54.808 6.114 -9.738 1.00 1.58 C ATOM 331 CE LYS A 106 54.173 4.990 -8.916 1.00 2.00 C ATOM 332 NZ LYS A 106 52.882 4.699 -9.596 1.00 2.79 N ATOM 0 H LYS A 106 58.342 4.743 -7.123 1.00 0.51 H new ATOM 0 HA LYS A 106 57.242 4.971 -9.781 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.102 5.326 -7.537 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.116 6.728 -7.258 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.011 7.556 -8.141 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.197 7.738 -9.418 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.032 6.707 -10.222 1.00 1.58 H new ATOM 0 HD3 LYS A 106 55.428 5.694 -10.530 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.814 4.109 -8.891 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.014 5.298 -7.882 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 52.387 3.937 -9.090 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.290 5.554 -9.598 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 53.065 4.402 -10.576 1.00 2.79 H new ATOM 346 N ASN A 107 59.471 7.215 -8.980 1.00 0.53 N ATOM 347 CA ASN A 107 60.279 8.312 -9.587 1.00 0.59 C ATOM 348 C ASN A 107 61.175 7.756 -10.697 1.00 0.60 C ATOM 349 O ASN A 107 61.506 8.442 -11.643 1.00 0.71 O ATOM 350 CB ASN A 107 61.125 8.867 -8.441 1.00 0.62 C ATOM 351 CG ASN A 107 62.214 9.779 -9.007 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.261 9.938 -8.412 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.009 10.392 -10.141 1.00 1.67 N ATOM 0 H ASN A 107 59.752 6.936 -8.040 1.00 0.53 H new ATOM 0 HA ASN A 107 59.654 9.082 -10.039 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.495 9.423 -7.746 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.576 8.049 -7.879 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.728 11.004 -10.527 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.130 10.259 -10.641 1.00 1.67 H new ATOM 360 N ALA A 108 61.569 6.516 -10.588 1.00 0.56 N ATOM 361 CA ALA A 108 62.443 5.916 -11.638 1.00 0.62 C ATOM 362 C ALA A 108 63.794 6.636 -11.681 1.00 0.64 C ATOM 363 O ALA A 108 64.126 7.294 -12.646 1.00 0.78 O ATOM 364 CB ALA A 108 61.684 6.122 -12.949 1.00 0.72 C ATOM 0 H ALA A 108 61.324 5.893 -9.819 1.00 0.56 H new ATOM 0 HA ALA A 108 62.652 4.863 -11.448 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.263 5.706 -13.774 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.719 5.619 -12.893 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.529 7.188 -13.116 1.00 0.72 H new ATOM 370 N ASP A 109 64.575 6.513 -10.643 1.00 0.57 N ATOM 371 CA ASP A 109 65.905 7.188 -10.629 1.00 0.63 C ATOM 372 C ASP A 109 66.918 6.343 -9.853 1.00 0.63 C ATOM 373 O ASP A 109 67.992 6.800 -9.513 1.00 0.76 O ATOM 374 CB ASP A 109 65.665 8.524 -9.921 1.00 0.62 C ATOM 375 CG ASP A 109 65.258 8.268 -8.470 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.536 7.312 -8.237 1.00 0.75 O ATOM 377 OD2 ASP A 109 65.674 9.033 -7.615 1.00 1.20 O ATOM 0 H ASP A 109 64.351 5.976 -9.805 1.00 0.57 H new ATOM 0 HA ASP A 109 66.309 7.326 -11.632 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.569 9.132 -9.954 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.884 9.085 -10.435 1.00 0.62 H new ATOM 382 N GLY A 110 66.587 5.113 -9.570 1.00 0.58 N ATOM 383 CA GLY A 110 67.532 4.240 -8.817 1.00 0.62 C ATOM 384 C GLY A 110 67.243 4.350 -7.320 1.00 0.54 C ATOM 385 O GLY A 110 67.323 3.385 -6.589 1.00 0.57 O ATOM 0 H GLY A 110 65.703 4.675 -9.828 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.427 3.205 -9.144 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.561 4.537 -9.023 1.00 0.62 H new ATOM 389 N TYR A 111 66.906 5.524 -6.861 1.00 0.50 N ATOM 390 CA TYR A 111 66.607 5.703 -5.411 1.00 0.48 C ATOM 391 C TYR A 111 65.122 6.021 -5.223 1.00 0.42 C ATOM 392 O TYR A 111 64.399 6.229 -6.176 1.00 0.52 O ATOM 393 CB TYR A 111 67.470 6.886 -4.972 1.00 0.52 C ATOM 394 CG TYR A 111 68.907 6.633 -5.360 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.360 6.987 -6.636 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.786 6.044 -4.443 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.692 6.751 -6.996 1.00 1.40 C ATOM 398 CE2 TYR A 111 71.118 5.809 -4.803 1.00 1.46 C ATOM 399 CZ TYR A 111 71.571 6.163 -6.080 1.00 0.83 C ATOM 400 OH TYR A 111 72.884 5.931 -6.435 1.00 0.97 O ATOM 0 H TYR A 111 66.825 6.368 -7.428 1.00 0.50 H new ATOM 0 HA TYR A 111 66.820 4.808 -4.827 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.112 7.804 -5.439 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.393 7.026 -3.894 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.682 7.442 -7.343 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.436 5.771 -3.458 1.00 1.38 H new ATOM 0 HE1 TYR A 111 71.041 7.023 -7.981 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.796 5.355 -4.096 1.00 1.46 H new ATOM 0 HH TYR A 111 73.358 5.518 -5.683 1.00 0.97 H new ATOM 410 N ILE A 112 64.658 6.060 -4.005 1.00 0.36 N ATOM 411 CA ILE A 112 63.218 6.367 -3.777 1.00 0.32 C ATOM 412 C ILE A 112 63.055 7.404 -2.669 1.00 0.35 C ATOM 413 O ILE A 112 63.667 7.320 -1.625 1.00 0.43 O ATOM 414 CB ILE A 112 62.590 5.047 -3.369 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.966 4.001 -4.428 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.069 5.232 -3.295 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.814 3.023 -4.661 1.00 0.46 C ATOM 0 H ILE A 112 65.209 5.894 -3.163 1.00 0.36 H new ATOM 0 HA ILE A 112 62.747 6.786 -4.666 1.00 0.32 H new ATOM 0 HB ILE A 112 62.947 4.716 -2.394 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.220 4.500 -5.363 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.853 3.455 -4.107 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.602 4.292 -3.003 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.831 6.000 -2.559 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.692 5.537 -4.271 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.104 2.292 -5.415 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.579 2.509 -3.729 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.936 3.570 -5.005 1.00 0.46 H new ATOM 429 N ASP A 113 62.224 8.379 -2.891 1.00 0.36 N ATOM 430 CA ASP A 113 62.008 9.425 -1.850 1.00 0.44 C ATOM 431 C ASP A 113 60.775 9.080 -1.007 1.00 0.44 C ATOM 432 O ASP A 113 60.096 8.105 -1.258 1.00 0.60 O ATOM 433 CB ASP A 113 61.789 10.728 -2.622 1.00 0.56 C ATOM 434 CG ASP A 113 60.667 10.542 -3.643 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.984 9.537 -3.565 1.00 1.58 O ATOM 436 OD2 ASP A 113 60.512 11.409 -4.486 1.00 1.53 O ATOM 0 H ASP A 113 61.683 8.500 -3.747 1.00 0.36 H new ATOM 0 HA ASP A 113 62.852 9.504 -1.164 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.535 11.532 -1.932 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.709 11.021 -3.128 1.00 0.56 H new ATOM 441 N LEU A 114 60.487 9.865 -0.006 1.00 0.47 N ATOM 442 CA LEU A 114 59.303 9.574 0.855 1.00 0.47 C ATOM 443 C LEU A 114 58.026 9.502 0.013 1.00 0.50 C ATOM 444 O LEU A 114 57.239 8.586 0.139 1.00 0.52 O ATOM 445 CB LEU A 114 59.230 10.746 1.835 1.00 0.57 C ATOM 446 CG LEU A 114 58.395 10.343 3.050 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.392 11.481 4.072 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.959 10.052 2.607 1.00 1.57 C ATOM 0 H LEU A 114 61.019 10.695 0.254 1.00 0.47 H new ATOM 0 HA LEU A 114 59.396 8.615 1.365 1.00 0.47 H new ATOM 0 HB2 LEU A 114 60.233 11.034 2.149 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.787 11.614 1.348 1.00 0.57 H new ATOM 0 HG LEU A 114 58.825 9.450 3.504 1.00 0.68 H new ATOM 0 HD11 LEU A 114 57.796 11.191 4.937 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.414 11.689 4.388 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.964 12.375 3.619 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.362 9.764 3.473 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.531 10.945 2.152 1.00 1.57 H new ATOM 0 HD23 LEU A 114 56.960 9.239 1.881 1.00 1.57 H new ATOM 460 N GLU A 115 57.811 10.465 -0.841 1.00 0.56 N ATOM 461 CA GLU A 115 56.580 10.455 -1.683 1.00 0.64 C ATOM 462 C GLU A 115 56.442 9.122 -2.427 1.00 0.56 C ATOM 463 O GLU A 115 55.353 8.699 -2.761 1.00 0.61 O ATOM 464 CB GLU A 115 56.773 11.602 -2.676 1.00 0.77 C ATOM 465 CG GLU A 115 55.431 12.292 -2.928 1.00 1.54 C ATOM 466 CD GLU A 115 55.565 13.245 -4.117 1.00 2.04 C ATOM 467 OE1 GLU A 115 56.671 13.396 -4.607 1.00 2.45 O ATOM 468 OE2 GLU A 115 54.558 13.805 -4.518 1.00 2.67 O ATOM 0 H GLU A 115 58.434 11.258 -0.992 1.00 0.56 H new ATOM 0 HA GLU A 115 55.676 10.573 -1.085 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.494 12.319 -2.284 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.179 11.221 -3.613 1.00 0.77 H new ATOM 0 HG2 GLU A 115 54.659 11.549 -3.129 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.120 12.842 -2.040 1.00 1.54 H new ATOM 475 N GLU A 116 57.535 8.460 -2.693 1.00 0.49 N ATOM 476 CA GLU A 116 57.460 7.158 -3.420 1.00 0.45 C ATOM 477 C GLU A 116 57.231 6.006 -2.438 1.00 0.43 C ATOM 478 O GLU A 116 56.492 5.083 -2.711 1.00 0.51 O ATOM 479 CB GLU A 116 58.814 7.005 -4.111 1.00 0.42 C ATOM 480 CG GLU A 116 58.897 7.962 -5.303 1.00 0.94 C ATOM 481 CD GLU A 116 60.339 8.023 -5.809 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.835 6.998 -6.248 1.00 1.43 O ATOM 483 OE2 GLU A 116 60.925 9.091 -5.746 1.00 1.28 O ATOM 0 H GLU A 116 58.476 8.763 -2.439 1.00 0.49 H new ATOM 0 HA GLU A 116 56.633 7.138 -4.130 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.618 7.216 -3.406 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.947 5.977 -4.448 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.235 7.625 -6.100 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.561 8.956 -5.009 1.00 0.94 H new ATOM 490 N LEU A 117 57.867 6.049 -1.299 1.00 0.37 N ATOM 491 CA LEU A 117 57.689 4.953 -0.305 1.00 0.42 C ATOM 492 C LEU A 117 56.227 4.880 0.143 1.00 0.50 C ATOM 493 O LEU A 117 55.685 3.812 0.350 1.00 0.58 O ATOM 494 CB LEU A 117 58.593 5.331 0.868 1.00 0.43 C ATOM 495 CG LEU A 117 58.651 4.170 1.864 1.00 0.61 C ATOM 496 CD1 LEU A 117 60.032 3.515 1.808 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.395 4.699 3.276 1.00 1.53 C ATOM 0 H LEU A 117 58.502 6.795 -1.014 1.00 0.37 H new ATOM 0 HA LEU A 117 57.944 3.976 -0.716 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.595 5.565 0.508 1.00 0.43 H new ATOM 0 HB3 LEU A 117 58.213 6.227 1.359 1.00 0.43 H new ATOM 0 HG LEU A 117 57.890 3.433 1.607 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.072 2.689 2.518 1.00 0.90 H new ATOM 0 HD12 LEU A 117 60.216 3.138 0.802 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.794 4.251 2.065 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.436 3.874 3.987 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.156 5.436 3.532 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.410 5.165 3.317 1.00 1.53 H new ATOM 509 N LYS A 118 55.581 6.005 0.289 1.00 0.52 N ATOM 510 CA LYS A 118 54.155 5.988 0.720 1.00 0.63 C ATOM 511 C LYS A 118 53.294 5.319 -0.354 1.00 0.71 C ATOM 512 O LYS A 118 52.179 4.906 -0.104 1.00 0.83 O ATOM 513 CB LYS A 118 53.768 7.458 0.887 1.00 0.68 C ATOM 514 CG LYS A 118 53.856 8.170 -0.464 1.00 1.05 C ATOM 515 CD LYS A 118 53.145 9.521 -0.374 1.00 1.33 C ATOM 516 CE LYS A 118 53.656 10.288 0.847 1.00 1.49 C ATOM 517 NZ LYS A 118 53.540 11.725 0.474 1.00 1.82 N ATOM 0 H LYS A 118 55.977 6.931 0.129 1.00 0.52 H new ATOM 0 HA LYS A 118 54.007 5.427 1.643 1.00 0.63 H new ATOM 0 HB2 LYS A 118 52.756 7.535 1.284 1.00 0.68 H new ATOM 0 HB3 LYS A 118 54.430 7.939 1.607 1.00 0.68 H new ATOM 0 HG2 LYS A 118 54.899 8.314 -0.744 1.00 1.05 H new ATOM 0 HG3 LYS A 118 53.399 7.557 -1.241 1.00 1.05 H new ATOM 0 HD2 LYS A 118 53.324 10.099 -1.281 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.068 9.372 -0.298 1.00 1.33 H new ATOM 0 HE2 LYS A 118 53.063 10.061 1.733 1.00 1.49 H new ATOM 0 HE3 LYS A 118 54.688 10.022 1.077 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 53.872 12.316 1.262 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 54.120 11.913 -0.368 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 52.546 11.951 0.267 1.00 1.82 H new ATOM 531 N ILE A 119 53.808 5.204 -1.547 1.00 0.72 N ATOM 532 CA ILE A 119 53.028 4.557 -2.641 1.00 0.84 C ATOM 533 C ILE A 119 53.306 3.051 -2.664 1.00 0.86 C ATOM 534 O ILE A 119 52.528 2.273 -3.178 1.00 0.96 O ATOM 535 CB ILE A 119 53.531 5.214 -3.925 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.921 6.611 -4.053 1.00 1.00 C ATOM 537 CG2 ILE A 119 53.117 4.367 -5.132 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.476 7.292 -5.304 1.00 1.08 C ATOM 0 H ILE A 119 54.737 5.531 -1.813 1.00 0.72 H new ATOM 0 HA ILE A 119 51.953 4.681 -2.514 1.00 0.84 H new ATOM 0 HB ILE A 119 54.618 5.290 -3.891 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.835 6.542 -4.114 1.00 1.00 H new ATOM 0 HG13 ILE A 119 53.153 7.204 -3.169 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.477 4.837 -6.047 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.549 3.370 -5.042 1.00 1.06 H new ATOM 0 HG23 ILE A 119 52.030 4.290 -5.167 1.00 1.06 H new ATOM 0 HD11 ILE A 119 53.043 8.288 -5.398 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.560 7.373 -5.223 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.221 6.701 -6.184 1.00 1.08 H new ATOM 550 N MET A 120 54.413 2.637 -2.111 1.00 0.82 N ATOM 551 CA MET A 120 54.745 1.183 -2.100 1.00 0.92 C ATOM 552 C MET A 120 53.887 0.453 -1.063 1.00 0.92 C ATOM 553 O MET A 120 53.455 -0.662 -1.275 1.00 1.01 O ATOM 554 CB MET A 120 56.223 1.122 -1.716 1.00 0.96 C ATOM 555 CG MET A 120 56.583 -0.306 -1.303 1.00 1.50 C ATOM 556 SD MET A 120 58.383 -0.477 -1.231 1.00 2.13 S ATOM 557 CE MET A 120 58.604 0.173 0.444 1.00 2.73 C ATOM 0 H MET A 120 55.103 3.243 -1.666 1.00 0.82 H new ATOM 0 HA MET A 120 54.553 0.705 -3.061 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.842 1.436 -2.557 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.426 1.811 -0.896 1.00 0.96 H new ATOM 0 HG2 MET A 120 56.146 -0.536 -0.331 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.168 -1.018 -2.016 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.663 0.160 0.703 1.00 2.73 H new ATOM 0 HE2 MET A 120 58.232 1.197 0.489 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.050 -0.445 1.150 1.00 2.73 H new ATOM 567 N LEU A 121 53.636 1.076 0.054 1.00 0.88 N ATOM 568 CA LEU A 121 52.802 0.421 1.103 1.00 0.96 C ATOM 569 C LEU A 121 51.377 0.226 0.584 1.00 0.99 C ATOM 570 O LEU A 121 50.843 -0.863 0.606 1.00 1.12 O ATOM 571 CB LEU A 121 52.807 1.394 2.277 1.00 0.98 C ATOM 572 CG LEU A 121 54.248 1.760 2.639 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.270 2.475 3.991 1.00 1.51 C ATOM 574 CD2 LEU A 121 55.092 0.486 2.723 1.00 1.81 C ATOM 0 H LEU A 121 53.972 2.011 0.287 1.00 0.88 H new ATOM 0 HA LEU A 121 53.184 -0.560 1.385 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.247 2.293 2.019 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.309 0.944 3.136 1.00 0.98 H new ATOM 0 HG LEU A 121 54.658 2.419 1.873 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.297 2.735 4.248 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.669 3.383 3.932 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.860 1.817 4.757 1.00 1.51 H new ATOM 0 HD21 LEU A 121 56.119 0.746 2.981 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.681 -0.173 3.488 1.00 1.81 H new ATOM 0 HD23 LEU A 121 55.078 -0.024 1.760 1.00 1.81 H new ATOM 586 N GLN A 122 50.760 1.275 0.110 1.00 0.95 N ATOM 587 CA GLN A 122 49.373 1.144 -0.421 1.00 1.05 C ATOM 588 C GLN A 122 49.402 0.305 -1.697 1.00 1.12 C ATOM 589 O GLN A 122 48.452 -0.378 -2.028 1.00 1.24 O ATOM 590 CB GLN A 122 48.923 2.572 -0.725 1.00 1.07 C ATOM 591 CG GLN A 122 50.007 3.280 -1.536 1.00 1.49 C ATOM 592 CD GLN A 122 49.450 3.674 -2.904 1.00 1.51 C ATOM 593 OE1 GLN A 122 48.617 4.553 -3.003 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.879 3.058 -3.969 1.00 1.52 N ATOM 0 H GLN A 122 51.155 2.214 0.068 1.00 0.95 H new ATOM 0 HA GLN A 122 48.696 0.655 0.280 1.00 1.05 H new ATOM 0 HB2 GLN A 122 47.986 2.560 -1.281 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.736 3.112 0.203 1.00 1.07 H new ATOM 0 HG2 GLN A 122 50.353 4.166 -1.004 1.00 1.49 H new ATOM 0 HG3 GLN A 122 50.870 2.625 -1.658 1.00 1.49 H new ATOM 0 HE21 GLN A 122 50.578 2.320 -3.885 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.516 3.314 -4.887 1.00 1.52 H new ATOM 603 N ALA A 123 50.497 0.338 -2.409 1.00 1.11 N ATOM 604 CA ALA A 123 50.603 -0.468 -3.654 1.00 1.26 C ATOM 605 C ALA A 123 50.821 -1.931 -3.277 1.00 1.39 C ATOM 606 O ALA A 123 50.543 -2.833 -4.042 1.00 1.55 O ATOM 607 CB ALA A 123 51.823 0.090 -4.387 1.00 1.31 C ATOM 0 H ALA A 123 51.323 0.891 -2.179 1.00 1.11 H new ATOM 0 HA ALA A 123 49.709 -0.415 -4.276 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.968 -0.455 -5.320 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.665 1.146 -4.605 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.707 -0.023 -3.760 1.00 1.31 H new ATOM 682 N THR A 129 47.701 7.048 6.055 1.00 1.18 N ATOM 683 CA THR A 129 47.829 8.507 5.776 1.00 1.21 C ATOM 684 C THR A 129 49.304 8.916 5.753 1.00 1.10 C ATOM 685 O THR A 129 50.188 8.087 5.836 1.00 1.04 O ATOM 686 CB THR A 129 47.099 9.194 6.932 1.00 1.37 C ATOM 687 OG1 THR A 129 46.010 8.381 7.350 1.00 1.63 O ATOM 688 CG2 THR A 129 46.574 10.554 6.469 1.00 1.63 C ATOM 0 HA THR A 129 47.411 8.781 4.807 1.00 1.21 H new ATOM 0 HB THR A 129 47.788 9.337 7.765 1.00 1.37 H new ATOM 0 HG1 THR A 129 46.126 7.473 6.999 1.00 1.63 H new ATOM 0 HG21 THR A 129 46.054 11.043 7.293 1.00 1.63 H new ATOM 0 HG22 THR A 129 47.409 11.176 6.147 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.884 10.414 5.637 1.00 1.63 H new ATOM 696 N GLU A 130 49.575 10.187 5.640 1.00 1.13 N ATOM 697 CA GLU A 130 50.993 10.647 5.612 1.00 1.09 C ATOM 698 C GLU A 130 51.611 10.543 7.009 1.00 1.03 C ATOM 699 O GLU A 130 52.806 10.390 7.161 1.00 0.98 O ATOM 700 CB GLU A 130 50.926 12.105 5.159 1.00 1.23 C ATOM 701 CG GLU A 130 51.352 12.207 3.694 1.00 1.68 C ATOM 702 CD GLU A 130 50.111 12.279 2.804 1.00 2.20 C ATOM 703 OE1 GLU A 130 49.500 13.334 2.758 1.00 2.66 O ATOM 704 OE2 GLU A 130 49.791 11.279 2.183 1.00 2.77 O ATOM 0 H GLU A 130 48.877 10.927 5.566 1.00 1.13 H new ATOM 0 HA GLU A 130 51.611 10.043 4.948 1.00 1.09 H new ATOM 0 HB2 GLU A 130 49.913 12.488 5.281 1.00 1.23 H new ATOM 0 HB3 GLU A 130 51.576 12.720 5.781 1.00 1.23 H new ATOM 0 HG2 GLU A 130 51.971 13.092 3.545 1.00 1.68 H new ATOM 0 HG3 GLU A 130 51.959 11.344 3.420 1.00 1.68 H new ATOM 711 N ASP A 131 50.804 10.627 8.031 1.00 1.08 N ATOM 712 CA ASP A 131 51.346 10.535 9.418 1.00 1.10 C ATOM 713 C ASP A 131 52.037 9.184 9.625 1.00 0.95 C ATOM 714 O ASP A 131 53.153 9.114 10.100 1.00 0.88 O ATOM 715 CB ASP A 131 50.124 10.657 10.330 1.00 1.27 C ATOM 716 CG ASP A 131 50.543 11.288 11.660 1.00 1.65 C ATOM 717 OD1 ASP A 131 51.669 11.748 11.747 1.00 2.28 O ATOM 718 OD2 ASP A 131 49.729 11.300 12.569 1.00 2.09 O ATOM 0 H ASP A 131 49.794 10.755 7.967 1.00 1.08 H new ATOM 0 HA ASP A 131 52.087 11.307 9.625 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.358 11.267 9.851 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.686 9.674 10.503 1.00 1.27 H new ATOM 723 N ASP A 132 51.382 8.112 9.274 1.00 0.96 N ATOM 724 CA ASP A 132 52.002 6.767 9.451 1.00 0.88 C ATOM 725 C ASP A 132 53.203 6.611 8.515 1.00 0.76 C ATOM 726 O ASP A 132 54.223 6.062 8.884 1.00 0.72 O ATOM 727 CB ASP A 132 50.901 5.773 9.084 1.00 0.99 C ATOM 728 CG ASP A 132 50.377 5.099 10.354 1.00 1.31 C ATOM 729 OD1 ASP A 132 50.586 5.651 11.422 1.00 1.95 O ATOM 730 OD2 ASP A 132 49.778 4.043 10.238 1.00 1.70 O ATOM 0 H ASP A 132 50.444 8.108 8.872 1.00 0.96 H new ATOM 0 HA ASP A 132 52.369 6.611 10.465 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.088 6.287 8.571 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.289 5.023 8.395 1.00 0.99 H new ATOM 735 N ILE A 133 53.091 7.090 7.307 1.00 0.78 N ATOM 736 CA ILE A 133 54.227 6.969 6.349 1.00 0.73 C ATOM 737 C ILE A 133 55.302 8.011 6.672 1.00 0.66 C ATOM 738 O ILE A 133 56.394 7.976 6.140 1.00 0.63 O ATOM 739 CB ILE A 133 53.614 7.238 4.975 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.682 6.081 4.601 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.725 7.352 3.930 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.713 6.538 3.509 1.00 0.96 C ATOM 0 H ILE A 133 52.263 7.560 6.941 1.00 0.78 H new ATOM 0 HA ILE A 133 54.708 5.992 6.396 1.00 0.73 H new ATOM 0 HB ILE A 133 53.049 8.170 5.006 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.265 5.229 4.251 1.00 0.91 H new ATOM 0 HG13 ILE A 133 52.127 5.749 5.478 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.286 7.544 2.951 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.392 8.173 4.196 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.291 6.421 3.898 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.050 5.715 3.243 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.121 7.377 3.876 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.277 6.849 2.629 1.00 0.96 H new ATOM 754 N GLU A 134 55.002 8.935 7.544 1.00 0.73 N ATOM 755 CA GLU A 134 56.009 9.975 7.904 1.00 0.77 C ATOM 756 C GLU A 134 57.123 9.357 8.752 1.00 0.70 C ATOM 757 O GLU A 134 58.279 9.368 8.379 1.00 0.68 O ATOM 758 CB GLU A 134 55.233 11.017 8.710 1.00 0.96 C ATOM 759 CG GLU A 134 54.855 12.189 7.802 1.00 0.95 C ATOM 760 CD GLU A 134 56.122 12.929 7.370 1.00 1.60 C ATOM 761 OE1 GLU A 134 57.190 12.351 7.482 1.00 2.07 O ATOM 762 OE2 GLU A 134 56.003 14.062 6.932 1.00 2.27 O ATOM 0 H GLU A 134 54.105 9.015 8.022 1.00 0.73 H new ATOM 0 HA GLU A 134 56.484 10.413 7.026 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.335 10.568 9.135 1.00 0.96 H new ATOM 0 HB3 GLU A 134 55.838 11.371 9.545 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.317 11.826 6.926 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.185 12.869 8.328 1.00 0.95 H new ATOM 769 N GLU A 135 56.785 8.817 9.891 1.00 0.74 N ATOM 770 CA GLU A 135 57.828 8.198 10.760 1.00 0.76 C ATOM 771 C GLU A 135 58.472 7.011 10.037 1.00 0.66 C ATOM 772 O GLU A 135 59.526 6.539 10.416 1.00 0.74 O ATOM 773 CB GLU A 135 57.079 7.726 12.007 1.00 0.88 C ATOM 774 CG GLU A 135 56.292 8.895 12.604 1.00 1.20 C ATOM 775 CD GLU A 135 55.985 8.605 14.074 1.00 1.48 C ATOM 776 OE1 GLU A 135 56.848 8.856 14.899 1.00 1.95 O ATOM 777 OE2 GLU A 135 54.892 8.138 14.349 1.00 2.16 O ATOM 0 H GLU A 135 55.834 8.777 10.258 1.00 0.74 H new ATOM 0 HA GLU A 135 58.629 8.895 11.009 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.402 6.911 11.751 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.784 7.336 12.741 1.00 0.88 H new ATOM 0 HG2 GLU A 135 56.867 9.817 12.517 1.00 1.20 H new ATOM 0 HG3 GLU A 135 55.365 9.044 12.050 1.00 1.20 H new ATOM 784 N LEU A 136 57.847 6.528 8.998 1.00 0.62 N ATOM 785 CA LEU A 136 58.422 5.374 8.249 1.00 0.66 C ATOM 786 C LEU A 136 59.710 5.799 7.537 1.00 0.61 C ATOM 787 O LEU A 136 60.787 5.333 7.851 1.00 0.70 O ATOM 788 CB LEU A 136 57.349 4.988 7.232 1.00 0.77 C ATOM 789 CG LEU A 136 57.126 3.475 7.272 1.00 0.86 C ATOM 790 CD1 LEU A 136 58.476 2.758 7.214 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.406 3.101 8.569 1.00 1.38 C ATOM 0 H LEU A 136 56.962 6.883 8.635 1.00 0.62 H new ATOM 0 HA LEU A 136 58.680 4.541 8.904 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.418 5.509 7.455 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.654 5.295 6.232 1.00 0.77 H new ATOM 0 HG LEU A 136 56.519 3.175 6.418 1.00 0.86 H new ATOM 0 HD11 LEU A 136 58.317 1.680 7.243 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.990 3.025 6.291 1.00 1.63 H new ATOM 0 HD13 LEU A 136 59.084 3.058 8.067 1.00 1.63 H new ATOM 0 HD21 LEU A 136 56.246 2.023 8.599 1.00 1.38 H new ATOM 0 HD22 LEU A 136 57.014 3.402 9.422 1.00 1.38 H new ATOM 0 HD23 LEU A 136 55.444 3.611 8.611 1.00 1.38 H new ATOM 803 N MET A 137 59.607 6.683 6.583 1.00 0.55 N ATOM 804 CA MET A 137 60.826 7.137 5.857 1.00 0.59 C ATOM 805 C MET A 137 61.826 7.746 6.843 1.00 0.65 C ATOM 806 O MET A 137 63.023 7.610 6.693 1.00 0.81 O ATOM 807 CB MET A 137 60.324 8.195 4.871 1.00 0.60 C ATOM 808 CG MET A 137 61.498 9.045 4.383 1.00 0.96 C ATOM 809 SD MET A 137 62.811 7.964 3.766 1.00 1.23 S ATOM 810 CE MET A 137 61.828 7.109 2.510 1.00 1.35 C ATOM 0 H MET A 137 58.733 7.110 6.275 1.00 0.55 H new ATOM 0 HA MET A 137 61.339 6.320 5.349 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.835 7.714 4.024 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.579 8.829 5.351 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.168 9.721 3.594 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.875 9.665 5.197 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.486 6.733 1.727 1.00 1.35 H new ATOM 0 HE2 MET A 137 61.297 6.275 2.969 1.00 1.35 H new ATOM 0 HE3 MET A 137 61.108 7.803 2.077 1.00 1.35 H new ATOM 820 N LYS A 138 61.341 8.413 7.855 1.00 0.62 N ATOM 821 CA LYS A 138 62.261 9.027 8.854 1.00 0.79 C ATOM 822 C LYS A 138 63.185 7.959 9.443 1.00 0.86 C ATOM 823 O LYS A 138 64.394 8.060 9.373 1.00 1.16 O ATOM 824 CB LYS A 138 61.346 9.601 9.935 1.00 0.87 C ATOM 825 CG LYS A 138 62.192 10.132 11.093 1.00 1.55 C ATOM 826 CD LYS A 138 61.384 11.161 11.886 1.00 2.07 C ATOM 827 CE LYS A 138 61.853 11.166 13.343 1.00 2.85 C ATOM 828 NZ LYS A 138 63.340 11.188 13.268 1.00 3.36 N ATOM 0 H LYS A 138 60.347 8.559 8.033 1.00 0.62 H new ATOM 0 HA LYS A 138 62.900 9.793 8.414 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.735 10.402 9.520 1.00 0.87 H new ATOM 0 HB3 LYS A 138 60.662 8.831 10.294 1.00 0.87 H new ATOM 0 HG2 LYS A 138 62.493 9.311 11.744 1.00 1.55 H new ATOM 0 HG3 LYS A 138 63.106 10.588 10.711 1.00 1.55 H new ATOM 0 HD2 LYS A 138 61.509 12.152 11.449 1.00 2.07 H new ATOM 0 HD3 LYS A 138 60.322 10.922 11.836 1.00 2.07 H new ATOM 0 HE2 LYS A 138 61.472 12.036 13.878 1.00 2.85 H new ATOM 0 HE3 LYS A 138 61.497 10.284 13.875 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 63.724 11.653 14.116 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 63.699 10.214 13.215 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 63.637 11.713 12.421 1.00 3.36 H new ATOM 842 N ASP A 139 62.626 6.932 10.023 1.00 0.71 N ATOM 843 CA ASP A 139 63.471 5.855 10.615 1.00 0.85 C ATOM 844 C ASP A 139 63.857 4.836 9.539 1.00 0.85 C ATOM 845 O ASP A 139 64.443 3.810 9.825 1.00 1.02 O ATOM 846 CB ASP A 139 62.590 5.201 11.681 1.00 0.97 C ATOM 847 CG ASP A 139 62.024 6.277 12.609 1.00 1.50 C ATOM 848 OD1 ASP A 139 61.180 7.034 12.161 1.00 1.80 O ATOM 849 OD2 ASP A 139 62.444 6.323 13.754 1.00 2.33 O ATOM 0 H ASP A 139 61.620 6.792 10.113 1.00 0.71 H new ATOM 0 HA ASP A 139 64.400 6.242 11.035 1.00 0.85 H new ATOM 0 HB2 ASP A 139 61.777 4.650 11.208 1.00 0.97 H new ATOM 0 HB3 ASP A 139 63.171 4.480 12.256 1.00 0.97 H new ATOM 854 N GLY A 140 63.532 5.107 8.305 1.00 0.81 N ATOM 855 CA GLY A 140 63.880 4.153 7.214 1.00 0.86 C ATOM 856 C GLY A 140 65.200 4.573 6.566 1.00 0.77 C ATOM 857 O GLY A 140 65.832 3.805 5.866 1.00 0.86 O ATOM 0 H GLY A 140 63.040 5.949 8.005 1.00 0.81 H new ATOM 0 HA2 GLY A 140 63.965 3.143 7.614 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.086 4.134 6.467 1.00 0.86 H new ATOM 861 N ASP A 141 65.623 5.786 6.793 1.00 0.70 N ATOM 862 CA ASP A 141 66.903 6.255 6.189 1.00 0.66 C ATOM 863 C ASP A 141 68.074 5.970 7.136 1.00 0.74 C ATOM 864 O ASP A 141 68.189 6.560 8.191 1.00 0.87 O ATOM 865 CB ASP A 141 66.719 7.760 5.998 1.00 0.66 C ATOM 866 CG ASP A 141 66.840 8.105 4.513 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.409 7.309 3.785 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.361 9.159 4.128 1.00 0.83 O ATOM 0 H ASP A 141 65.138 6.473 7.370 1.00 0.70 H new ATOM 0 HA ASP A 141 67.128 5.749 5.250 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.744 8.069 6.376 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.470 8.304 6.571 1.00 0.66 H new ATOM 873 N LYS A 142 68.943 5.069 6.764 1.00 0.75 N ATOM 874 CA LYS A 142 70.106 4.746 7.642 1.00 0.87 C ATOM 875 C LYS A 142 71.043 5.952 7.741 1.00 0.89 C ATOM 876 O LYS A 142 71.838 6.059 8.654 1.00 1.05 O ATOM 877 CB LYS A 142 70.810 3.575 6.954 1.00 0.89 C ATOM 878 CG LYS A 142 71.634 2.797 7.984 1.00 1.24 C ATOM 879 CD LYS A 142 72.698 1.962 7.268 1.00 1.26 C ATOM 880 CE LYS A 142 73.374 1.024 8.272 1.00 1.55 C ATOM 881 NZ LYS A 142 74.775 0.882 7.785 1.00 1.99 N ATOM 0 H LYS A 142 68.899 4.543 5.891 1.00 0.75 H new ATOM 0 HA LYS A 142 69.800 4.497 8.658 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.075 2.918 6.489 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.457 3.943 6.158 1.00 0.89 H new ATOM 0 HG2 LYS A 142 72.108 3.488 8.681 1.00 1.24 H new ATOM 0 HG3 LYS A 142 70.983 2.149 8.570 1.00 1.24 H new ATOM 0 HD2 LYS A 142 72.242 1.384 6.465 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.440 2.615 6.809 1.00 1.26 H new ATOM 0 HE2 LYS A 142 73.347 1.439 9.280 1.00 1.55 H new ATOM 0 HE3 LYS A 142 72.870 0.058 8.311 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 75.302 0.252 8.423 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 74.770 0.479 6.826 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 75.232 1.816 7.765 1.00 1.99 H new ATOM 895 N ASN A 143 70.954 6.861 6.810 1.00 0.85 N ATOM 896 CA ASN A 143 71.840 8.063 6.851 1.00 1.05 C ATOM 897 C ASN A 143 71.025 9.327 6.568 1.00 1.07 C ATOM 898 O ASN A 143 71.567 10.379 6.290 1.00 1.56 O ATOM 899 CB ASN A 143 72.898 7.843 5.760 1.00 1.08 C ATOM 900 CG ASN A 143 72.305 7.052 4.589 1.00 1.05 C ATOM 901 OD1 ASN A 143 71.359 7.486 3.962 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.827 5.899 4.269 1.00 1.48 N ATOM 0 H ASN A 143 70.307 6.825 6.022 1.00 0.85 H new ATOM 0 HA ASN A 143 72.303 8.192 7.829 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.269 8.805 5.406 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.751 7.305 6.175 1.00 1.08 H new ATOM 0 HD21 ASN A 143 72.441 5.362 3.492 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.621 5.535 4.796 1.00 1.48 H new ATOM 909 N ASN A 144 69.725 9.231 6.646 1.00 0.78 N ATOM 910 CA ASN A 144 68.865 10.423 6.387 1.00 0.82 C ATOM 911 C ASN A 144 69.402 11.225 5.200 1.00 0.82 C ATOM 912 O ASN A 144 70.163 12.158 5.362 1.00 0.92 O ATOM 913 CB ASN A 144 68.941 11.250 7.671 1.00 0.95 C ATOM 914 CG ASN A 144 68.243 10.497 8.806 1.00 1.47 C ATOM 915 OD1 ASN A 144 67.181 10.888 9.248 1.00 2.28 O ATOM 916 ND2 ASN A 144 68.800 9.426 9.302 1.00 1.93 N ATOM 0 H ASN A 144 69.220 8.376 6.879 1.00 0.78 H new ATOM 0 HA ASN A 144 67.841 10.144 6.138 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.982 11.440 7.933 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.468 12.220 7.520 1.00 0.95 H new ATOM 0 HD21 ASN A 144 68.344 8.918 10.060 1.00 1.93 H new ATOM 0 HD22 ASN A 144 69.692 9.097 8.932 1.00 1.93 H new ATOM 923 N ASP A 145 69.011 10.868 4.007 1.00 0.75 N ATOM 924 CA ASP A 145 69.498 11.611 2.808 1.00 0.78 C ATOM 925 C ASP A 145 68.316 12.074 1.954 1.00 0.74 C ATOM 926 O ASP A 145 68.470 12.855 1.034 1.00 0.81 O ATOM 927 CB ASP A 145 70.350 10.602 2.035 1.00 0.76 C ATOM 928 CG ASP A 145 69.625 9.256 1.978 1.00 1.12 C ATOM 929 OD1 ASP A 145 69.544 8.606 3.007 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.162 8.899 0.907 1.00 1.85 O ATOM 0 H ASP A 145 68.376 10.095 3.810 1.00 0.75 H new ATOM 0 HA ASP A 145 70.064 12.503 3.079 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.539 10.968 1.026 1.00 0.76 H new ATOM 0 HB3 ASP A 145 71.320 10.484 2.518 1.00 0.76 H new ATOM 935 N GLY A 146 67.136 11.602 2.248 1.00 0.69 N ATOM 936 CA GLY A 146 65.948 12.017 1.451 1.00 0.70 C ATOM 937 C GLY A 146 65.618 10.933 0.421 1.00 0.58 C ATOM 938 O GLY A 146 64.622 11.004 -0.271 1.00 0.62 O ATOM 0 H GLY A 146 66.943 10.947 3.006 1.00 0.69 H new ATOM 0 HA2 GLY A 146 65.094 12.180 2.109 1.00 0.70 H new ATOM 0 HA3 GLY A 146 66.147 12.963 0.948 1.00 0.70 H new ATOM 942 N ARG A 147 66.446 9.929 0.313 1.00 0.54 N ATOM 943 CA ARG A 147 66.175 8.843 -0.673 1.00 0.49 C ATOM 944 C ARG A 147 66.592 7.487 -0.095 1.00 0.44 C ATOM 945 O ARG A 147 67.302 7.411 0.888 1.00 0.56 O ATOM 946 CB ARG A 147 67.027 9.193 -1.894 1.00 0.57 C ATOM 947 CG ARG A 147 66.371 10.344 -2.660 1.00 0.78 C ATOM 948 CD ARG A 147 67.443 11.128 -3.421 1.00 0.73 C ATOM 949 NE ARG A 147 66.717 12.272 -4.037 1.00 1.07 N ATOM 950 CZ ARG A 147 66.575 12.334 -5.333 1.00 1.60 C ATOM 951 NH1 ARG A 147 65.747 11.526 -5.937 1.00 2.22 N ATOM 952 NH2 ARG A 147 67.262 13.201 -6.024 1.00 2.32 N ATOM 0 H ARG A 147 67.297 9.814 0.864 1.00 0.54 H new ATOM 0 HA ARG A 147 65.117 8.768 -0.924 1.00 0.49 H new ATOM 0 HB2 ARG A 147 68.032 9.476 -1.581 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.129 8.322 -2.542 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.628 9.955 -3.356 1.00 0.78 H new ATOM 0 HG3 ARG A 147 65.846 11.003 -1.968 1.00 0.78 H new ATOM 0 HD2 ARG A 147 68.230 11.474 -2.751 1.00 0.73 H new ATOM 0 HD3 ARG A 147 67.921 10.509 -4.180 1.00 0.73 H new ATOM 0 HE ARG A 147 66.330 13.008 -3.446 1.00 1.07 H new ATOM 0 HH11 ARG A 147 65.212 10.847 -5.396 1.00 2.22 H new ATOM 0 HH12 ARG A 147 65.635 11.574 -6.950 1.00 2.22 H new ATOM 0 HH21 ARG A 147 67.911 13.831 -5.552 1.00 2.32 H new ATOM 0 HH22 ARG A 147 67.151 13.249 -7.037 1.00 2.32 H new ATOM 966 N ILE A 148 66.157 6.416 -0.701 1.00 0.35 N ATOM 967 CA ILE A 148 66.528 5.065 -0.189 1.00 0.36 C ATOM 968 C ILE A 148 66.975 4.171 -1.350 1.00 0.40 C ATOM 969 O ILE A 148 66.309 4.072 -2.361 1.00 0.41 O ATOM 970 CB ILE A 148 65.249 4.520 0.455 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.094 5.112 1.859 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.326 2.991 0.553 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.934 4.423 2.582 1.00 0.40 C ATOM 0 H ILE A 148 65.561 6.418 -1.529 1.00 0.35 H new ATOM 0 HA ILE A 148 67.354 5.100 0.521 1.00 0.36 H new ATOM 0 HB ILE A 148 64.392 4.798 -0.158 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.017 4.981 2.424 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.910 6.184 1.794 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.414 2.609 1.012 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.435 2.567 -0.445 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.184 2.708 1.162 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.825 4.846 3.581 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.012 4.577 2.021 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.137 3.355 2.660 1.00 0.40 H new ATOM 985 N ASP A 149 68.094 3.515 -1.210 1.00 0.47 N ATOM 986 CA ASP A 149 68.577 2.624 -2.302 1.00 0.55 C ATOM 987 C ASP A 149 68.562 1.167 -1.829 1.00 0.58 C ATOM 988 O ASP A 149 67.986 0.843 -0.810 1.00 0.54 O ATOM 989 CB ASP A 149 70.007 3.083 -2.597 1.00 0.65 C ATOM 990 CG ASP A 149 70.755 3.316 -1.283 1.00 1.32 C ATOM 991 OD1 ASP A 149 70.497 2.587 -0.340 1.00 2.16 O ATOM 992 OD2 ASP A 149 71.574 4.220 -1.244 1.00 2.00 O ATOM 0 H ASP A 149 68.695 3.558 -0.387 1.00 0.47 H new ATOM 0 HA ASP A 149 67.949 2.680 -3.191 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.525 2.332 -3.193 1.00 0.65 H new ATOM 0 HB3 ASP A 149 69.991 4.001 -3.185 1.00 0.65 H new ATOM 997 N TYR A 150 69.186 0.288 -2.561 1.00 0.67 N ATOM 998 CA TYR A 150 69.199 -1.147 -2.153 1.00 0.73 C ATOM 999 C TYR A 150 69.974 -1.327 -0.843 1.00 0.75 C ATOM 1000 O TYR A 150 69.983 -2.392 -0.260 1.00 0.76 O ATOM 1001 CB TYR A 150 69.905 -1.877 -3.296 1.00 0.84 C ATOM 1002 CG TYR A 150 69.608 -3.355 -3.206 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.303 -3.793 -2.951 1.00 1.74 C ATOM 1004 CD2 TYR A 150 70.638 -4.287 -3.379 1.00 1.63 C ATOM 1005 CE1 TYR A 150 68.028 -5.163 -2.868 1.00 2.14 C ATOM 1006 CE2 TYR A 150 70.362 -5.657 -3.297 1.00 2.06 C ATOM 1007 CZ TYR A 150 69.057 -6.096 -3.041 1.00 2.02 C ATOM 1008 OH TYR A 150 68.786 -7.446 -2.961 1.00 2.63 O ATOM 0 H TYR A 150 69.688 0.499 -3.424 1.00 0.67 H new ATOM 0 HA TYR A 150 68.194 -1.532 -1.979 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.568 -1.485 -4.256 1.00 0.84 H new ATOM 0 HB3 TYR A 150 70.980 -1.707 -3.242 1.00 0.84 H new ATOM 0 HD1 TYR A 150 67.508 -3.074 -2.818 1.00 1.74 H new ATOM 0 HD2 TYR A 150 71.645 -3.949 -3.576 1.00 1.63 H new ATOM 0 HE1 TYR A 150 67.021 -5.500 -2.670 1.00 2.14 H new ATOM 0 HE2 TYR A 150 71.156 -6.376 -3.431 1.00 2.06 H new ATOM 0 HH TYR A 150 69.611 -7.954 -3.106 1.00 2.63 H new ATOM 1018 N ASP A 151 70.624 -0.297 -0.377 1.00 0.78 N ATOM 1019 CA ASP A 151 71.396 -0.418 0.894 1.00 0.82 C ATOM 1020 C ASP A 151 70.495 -0.119 2.095 1.00 0.74 C ATOM 1021 O ASP A 151 70.181 -0.993 2.879 1.00 0.76 O ATOM 1022 CB ASP A 151 72.509 0.625 0.782 1.00 0.87 C ATOM 1023 CG ASP A 151 73.404 0.289 -0.412 1.00 1.31 C ATOM 1024 OD1 ASP A 151 72.962 -0.460 -1.267 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.517 0.788 -0.451 1.00 2.08 O ATOM 0 H ASP A 151 70.655 0.622 -0.819 1.00 0.78 H new ATOM 0 HA ASP A 151 71.792 -1.423 1.041 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.079 1.619 0.660 1.00 0.87 H new ATOM 0 HB3 ASP A 151 73.099 0.643 1.699 1.00 0.87 H new ATOM 1030 N GLU A 152 70.077 1.108 2.248 1.00 0.67 N ATOM 1031 CA GLU A 152 69.197 1.457 3.401 1.00 0.61 C ATOM 1032 C GLU A 152 67.845 0.751 3.266 1.00 0.58 C ATOM 1033 O GLU A 152 67.153 0.522 4.238 1.00 0.58 O ATOM 1034 CB GLU A 152 69.019 2.975 3.323 1.00 0.59 C ATOM 1035 CG GLU A 152 70.382 3.648 3.134 1.00 0.76 C ATOM 1036 CD GLU A 152 70.305 4.649 1.978 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.292 4.666 1.299 1.00 1.20 O ATOM 1038 OE2 GLU A 152 71.262 5.382 1.791 1.00 1.39 O ATOM 0 H GLU A 152 70.306 1.883 1.626 1.00 0.67 H new ATOM 0 HA GLU A 152 69.625 1.147 4.354 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.359 3.231 2.494 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.545 3.342 4.233 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.677 4.158 4.051 1.00 0.76 H new ATOM 0 HG3 GLU A 152 71.144 2.897 2.928 1.00 0.76 H new ATOM 1045 N PHE A 153 67.465 0.404 2.066 1.00 0.60 N ATOM 1046 CA PHE A 153 66.157 -0.287 1.865 1.00 0.61 C ATOM 1047 C PHE A 153 66.227 -1.721 2.392 1.00 0.66 C ATOM 1048 O PHE A 153 65.264 -2.249 2.911 1.00 0.71 O ATOM 1049 CB PHE A 153 65.938 -0.282 0.351 1.00 0.64 C ATOM 1050 CG PHE A 153 64.687 -1.059 0.019 1.00 0.68 C ATOM 1051 CD1 PHE A 153 64.757 -2.442 -0.186 1.00 1.18 C ATOM 1052 CD2 PHE A 153 63.459 -0.397 -0.086 1.00 1.47 C ATOM 1053 CE1 PHE A 153 63.597 -3.163 -0.496 1.00 1.24 C ATOM 1054 CE2 PHE A 153 62.299 -1.118 -0.395 1.00 1.55 C ATOM 1055 CZ PHE A 153 62.368 -2.501 -0.600 1.00 0.93 C ATOM 0 H PHE A 153 68.003 0.569 1.215 1.00 0.60 H new ATOM 0 HA PHE A 153 65.344 0.205 2.398 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.849 0.742 -0.011 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.798 -0.724 -0.153 1.00 0.64 H new ATOM 0 HD1 PHE A 153 65.705 -2.953 -0.105 1.00 1.18 H new ATOM 0 HD2 PHE A 153 63.406 0.670 0.071 1.00 1.47 H new ATOM 0 HE1 PHE A 153 63.651 -4.230 -0.655 1.00 1.24 H new ATOM 0 HE2 PHE A 153 61.351 -0.607 -0.475 1.00 1.55 H new ATOM 0 HZ PHE A 153 61.473 -3.057 -0.838 1.00 0.93 H new ATOM 1065 N LEU A 154 67.358 -2.358 2.265 1.00 0.72 N ATOM 1066 CA LEU A 154 67.484 -3.758 2.761 1.00 0.80 C ATOM 1067 C LEU A 154 67.102 -3.829 4.241 1.00 0.79 C ATOM 1068 O LEU A 154 66.518 -4.792 4.696 1.00 0.82 O ATOM 1069 CB LEU A 154 68.957 -4.119 2.567 1.00 0.92 C ATOM 1070 CG LEU A 154 69.088 -5.151 1.446 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.353 -6.432 1.842 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.474 -4.588 0.163 1.00 1.54 C ATOM 0 H LEU A 154 68.200 -1.970 1.840 1.00 0.72 H new ATOM 0 HA LEU A 154 66.826 -4.445 2.230 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.532 -3.226 2.322 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.369 -4.519 3.493 1.00 0.92 H new ATOM 0 HG LEU A 154 70.142 -5.374 1.279 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.447 -7.167 1.043 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.789 -6.833 2.757 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.299 -6.210 2.009 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.566 -5.322 -0.637 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.420 -4.365 0.331 1.00 1.54 H new ATOM 0 HD23 LEU A 154 68.997 -3.675 -0.120 1.00 1.54 H new ATOM 1084 N GLU A 155 67.428 -2.815 4.996 1.00 0.79 N ATOM 1085 CA GLU A 155 67.083 -2.825 6.446 1.00 0.82 C ATOM 1086 C GLU A 155 65.725 -2.156 6.674 1.00 0.81 C ATOM 1087 O GLU A 155 65.106 -2.325 7.705 1.00 0.90 O ATOM 1088 CB GLU A 155 68.196 -2.026 7.124 1.00 0.85 C ATOM 1089 CG GLU A 155 69.189 -2.986 7.780 1.00 0.95 C ATOM 1090 CD GLU A 155 70.155 -3.523 6.723 1.00 1.67 C ATOM 1091 OE1 GLU A 155 70.548 -2.753 5.863 1.00 2.27 O ATOM 1092 OE2 GLU A 155 70.483 -4.696 6.790 1.00 2.47 O ATOM 0 H GLU A 155 67.918 -1.981 4.672 1.00 0.79 H new ATOM 0 HA GLU A 155 67.007 -3.837 6.844 1.00 0.82 H new ATOM 0 HB2 GLU A 155 68.708 -1.402 6.391 1.00 0.85 H new ATOM 0 HB3 GLU A 155 67.773 -1.357 7.873 1.00 0.85 H new ATOM 0 HG2 GLU A 155 69.742 -2.472 8.566 1.00 0.95 H new ATOM 0 HG3 GLU A 155 68.656 -3.811 8.253 1.00 0.95 H new ATOM 1099 N PHE A 156 65.257 -1.396 5.720 1.00 0.75 N ATOM 1100 CA PHE A 156 63.940 -0.721 5.889 1.00 0.78 C ATOM 1101 C PHE A 156 62.820 -1.759 5.979 1.00 0.84 C ATOM 1102 O PHE A 156 61.958 -1.683 6.833 1.00 0.90 O ATOM 1103 CB PHE A 156 63.769 0.141 4.638 1.00 0.78 C ATOM 1104 CG PHE A 156 62.362 0.685 4.598 1.00 0.85 C ATOM 1105 CD1 PHE A 156 61.337 -0.068 4.016 1.00 1.66 C ATOM 1106 CD2 PHE A 156 62.083 1.943 5.147 1.00 1.27 C ATOM 1107 CE1 PHE A 156 60.031 0.435 3.983 1.00 1.77 C ATOM 1108 CE2 PHE A 156 60.778 2.446 5.113 1.00 1.31 C ATOM 1109 CZ PHE A 156 59.752 1.692 4.532 1.00 1.10 C ATOM 0 H PHE A 156 65.729 -1.215 4.834 1.00 0.75 H new ATOM 0 HA PHE A 156 63.898 -0.127 6.802 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.488 0.960 4.645 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.968 -0.450 3.744 1.00 0.78 H new ATOM 0 HD1 PHE A 156 61.553 -1.038 3.592 1.00 1.66 H new ATOM 0 HD2 PHE A 156 62.875 2.524 5.596 1.00 1.27 H new ATOM 0 HE1 PHE A 156 59.239 -0.146 3.534 1.00 1.77 H new ATOM 0 HE2 PHE A 156 60.562 3.416 5.535 1.00 1.31 H new ATOM 0 HZ PHE A 156 58.744 2.080 4.507 1.00 1.10 H new ATOM 1119 N MET A 157 62.823 -2.728 5.106 1.00 0.86 N ATOM 1120 CA MET A 157 61.757 -3.770 5.140 1.00 0.95 C ATOM 1121 C MET A 157 62.070 -4.821 6.208 1.00 0.99 C ATOM 1122 O MET A 157 61.190 -5.307 6.891 1.00 1.12 O ATOM 1123 CB MET A 157 61.775 -4.402 3.749 1.00 0.99 C ATOM 1124 CG MET A 157 60.398 -4.992 3.437 1.00 1.28 C ATOM 1125 SD MET A 157 59.312 -3.688 2.806 1.00 1.48 S ATOM 1126 CE MET A 157 60.004 -3.607 1.135 1.00 1.12 C ATOM 0 H MET A 157 63.519 -2.844 4.369 1.00 0.86 H new ATOM 0 HA MET A 157 60.782 -3.350 5.387 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.039 -3.654 3.002 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.535 -5.182 3.702 1.00 0.99 H new ATOM 0 HG2 MET A 157 60.491 -5.791 2.701 1.00 1.28 H new ATOM 0 HG3 MET A 157 59.968 -5.435 4.335 1.00 1.28 H new ATOM 0 HE1 MET A 157 60.144 -2.564 0.849 1.00 1.12 H new ATOM 0 HE2 MET A 157 60.965 -4.122 1.114 1.00 1.12 H new ATOM 0 HE3 MET A 157 59.320 -4.086 0.434 1.00 1.12 H new ATOM 1136 N LYS A 158 63.317 -5.180 6.357 1.00 0.94 N ATOM 1137 CA LYS A 158 63.677 -6.203 7.382 1.00 1.02 C ATOM 1138 C LYS A 158 63.077 -5.819 8.736 1.00 1.05 C ATOM 1139 O LYS A 158 62.205 -6.490 9.251 1.00 1.20 O ATOM 1140 CB LYS A 158 65.204 -6.181 7.446 1.00 1.07 C ATOM 1141 CG LYS A 158 65.733 -7.611 7.581 1.00 1.26 C ATOM 1142 CD LYS A 158 67.229 -7.635 7.262 1.00 1.53 C ATOM 1143 CE LYS A 158 67.472 -8.492 6.017 1.00 1.45 C ATOM 1144 NZ LYS A 158 68.676 -7.897 5.372 1.00 2.07 N ATOM 0 H LYS A 158 64.099 -4.811 5.816 1.00 0.94 H new ATOM 0 HA LYS A 158 63.296 -7.193 7.132 1.00 1.02 H new ATOM 0 HB2 LYS A 158 65.609 -5.716 6.547 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.534 -5.579 8.293 1.00 1.07 H new ATOM 0 HG2 LYS A 158 65.560 -7.980 8.592 1.00 1.26 H new ATOM 0 HG3 LYS A 158 65.195 -8.274 6.903 1.00 1.26 H new ATOM 0 HD2 LYS A 158 67.592 -6.621 7.095 1.00 1.53 H new ATOM 0 HD3 LYS A 158 67.786 -8.038 8.108 1.00 1.53 H new ATOM 0 HE2 LYS A 158 67.641 -9.536 6.282 1.00 1.45 H new ATOM 0 HE3 LYS A 158 66.612 -8.469 5.347 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 68.907 -8.430 4.510 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 68.483 -6.905 5.125 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 69.480 -7.939 6.031 1.00 2.07 H new