USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=11 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 -131:sc= -0.466 (180deg=-1.06) USER MOD Set 1.2: A 157 MET CE :methyl -157:sc= -6.58! (180deg=-9.29!) USER MOD Single : A 98 SER OG : rot 180:sc= 0.0715 USER MOD Single : A 103 MET CE :methyl 159:sc= -2.76! (180deg=-4.98!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -5.97! C(o=-6!,f=-6.5!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -137:sc= 0 (180deg=-1.03) USER MOD Single : A 122 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.32) USER MOD Single : A 129 THR OG1 : rot -28:sc= 0.0426 USER MOD Single : A 137 MET CE :methyl 158:sc= -0.158 (180deg=-0.959) USER MOD Single : A 138 LYS NZ :NH3+ -140:sc= -0.237 (180deg=-1.44!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -4.33! C(o=-4.3!,f=-12!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot -110:sc= -3.19! USER MOD Single : A 158 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0174) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 63.959 -10.901 -2.099 1.00 1.38 N ATOM 156 CA GLU A 96 62.583 -10.359 -2.292 1.00 1.34 C ATOM 157 C GLU A 96 62.587 -8.834 -2.158 1.00 1.16 C ATOM 158 O GLU A 96 61.688 -8.159 -2.620 1.00 1.07 O ATOM 159 CB GLU A 96 61.749 -10.992 -1.179 1.00 1.51 C ATOM 160 CG GLU A 96 60.904 -12.127 -1.759 1.00 2.07 C ATOM 161 CD GLU A 96 61.799 -13.331 -2.056 1.00 2.19 C ATOM 162 OE1 GLU A 96 62.971 -13.269 -1.723 1.00 2.60 O ATOM 163 OE2 GLU A 96 61.298 -14.294 -2.611 1.00 2.61 O ATOM 0 HA GLU A 96 62.186 -10.588 -3.281 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.401 -11.374 -0.394 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.105 -10.242 -0.721 1.00 1.51 H new ATOM 0 HG2 GLU A 96 60.121 -12.408 -1.055 1.00 2.07 H new ATOM 0 HG3 GLU A 96 60.408 -11.796 -2.671 1.00 2.07 H new ATOM 170 N LEU A 97 63.590 -8.287 -1.530 1.00 1.14 N ATOM 171 CA LEU A 97 63.648 -6.805 -1.368 1.00 0.99 C ATOM 172 C LEU A 97 64.315 -6.166 -2.588 1.00 0.82 C ATOM 173 O LEU A 97 64.093 -5.011 -2.894 1.00 0.70 O ATOM 174 CB LEU A 97 64.492 -6.576 -0.114 1.00 1.03 C ATOM 175 CG LEU A 97 63.916 -7.388 1.047 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.685 -7.060 2.329 1.00 1.57 C ATOM 177 CD2 LEU A 97 62.440 -7.032 1.236 1.00 1.71 C ATOM 0 H LEU A 97 64.372 -8.800 -1.122 1.00 1.14 H new ATOM 0 HA LEU A 97 62.657 -6.360 -1.279 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.525 -6.870 -0.300 1.00 1.03 H new ATOM 0 HB3 LEU A 97 64.503 -5.516 0.140 1.00 1.03 H new ATOM 0 HG LEU A 97 64.009 -8.452 0.827 1.00 1.31 H new ATOM 0 HD11 LEU A 97 64.275 -7.638 3.157 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.737 -7.311 2.197 1.00 1.57 H new ATOM 0 HD13 LEU A 97 64.591 -5.996 2.548 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.029 -7.611 2.063 1.00 1.71 H new ATOM 0 HD22 LEU A 97 62.348 -5.968 1.456 1.00 1.71 H new ATOM 0 HD23 LEU A 97 61.890 -7.263 0.324 1.00 1.71 H new ATOM 189 N SER A 98 65.134 -6.905 -3.285 1.00 0.87 N ATOM 190 CA SER A 98 65.816 -6.336 -4.484 1.00 0.78 C ATOM 191 C SER A 98 64.799 -6.067 -5.597 1.00 0.75 C ATOM 192 O SER A 98 64.777 -5.003 -6.185 1.00 0.74 O ATOM 193 CB SER A 98 66.814 -7.408 -4.918 1.00 0.93 C ATOM 194 OG SER A 98 66.222 -8.691 -4.767 1.00 1.41 O ATOM 0 H SER A 98 65.361 -7.877 -3.077 1.00 0.87 H new ATOM 0 HA SER A 98 66.305 -5.387 -4.267 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.106 -7.250 -5.956 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.721 -7.341 -4.318 1.00 0.93 H new ATOM 0 HG SER A 98 66.860 -9.381 -5.046 1.00 1.41 H new ATOM 200 N ASP A 99 63.960 -7.020 -5.893 1.00 0.80 N ATOM 201 CA ASP A 99 62.949 -6.815 -6.969 1.00 0.82 C ATOM 202 C ASP A 99 61.927 -5.756 -6.544 1.00 0.77 C ATOM 203 O ASP A 99 61.429 -5.002 -7.356 1.00 0.77 O ATOM 204 CB ASP A 99 62.275 -8.177 -7.142 1.00 0.93 C ATOM 205 CG ASP A 99 63.345 -9.256 -7.317 1.00 1.45 C ATOM 206 OD1 ASP A 99 64.066 -9.193 -8.299 1.00 2.18 O ATOM 207 OD2 ASP A 99 63.425 -10.126 -6.466 1.00 1.92 O ATOM 0 H ASP A 99 63.930 -7.932 -5.437 1.00 0.80 H new ATOM 0 HA ASP A 99 63.399 -6.462 -7.897 1.00 0.82 H new ATOM 0 HB2 ASP A 99 61.656 -8.401 -6.274 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.615 -8.161 -8.009 1.00 0.93 H new ATOM 212 N LEU A 100 61.612 -5.693 -5.279 1.00 0.77 N ATOM 213 CA LEU A 100 60.621 -4.680 -4.809 1.00 0.77 C ATOM 214 C LEU A 100 61.155 -3.263 -5.037 1.00 0.64 C ATOM 215 O LEU A 100 60.484 -2.419 -5.599 1.00 0.64 O ATOM 216 CB LEU A 100 60.458 -4.952 -3.312 1.00 0.85 C ATOM 217 CG LEU A 100 59.481 -6.111 -3.106 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.389 -6.440 -1.615 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.099 -5.710 -3.625 1.00 1.57 C ATOM 0 H LEU A 100 61.996 -6.296 -4.552 1.00 0.77 H new ATOM 0 HA LEU A 100 59.675 -4.752 -5.346 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.424 -5.194 -2.868 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.090 -4.059 -2.807 1.00 0.85 H new ATOM 0 HG LEU A 100 59.834 -6.986 -3.651 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.693 -7.266 -1.467 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.374 -6.724 -1.244 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.035 -5.565 -1.070 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.402 -6.535 -3.479 1.00 1.57 H new ATOM 0 HD22 LEU A 100 57.745 -4.835 -3.080 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.164 -5.474 -4.687 1.00 1.57 H new ATOM 231 N PHE A 101 62.354 -2.992 -4.600 1.00 0.60 N ATOM 232 CA PHE A 101 62.929 -1.629 -4.784 1.00 0.53 C ATOM 233 C PHE A 101 62.879 -1.213 -6.258 1.00 0.49 C ATOM 234 O PHE A 101 62.367 -0.165 -6.600 1.00 0.61 O ATOM 235 CB PHE A 101 64.379 -1.743 -4.312 1.00 0.57 C ATOM 236 CG PHE A 101 65.050 -0.396 -4.418 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.431 0.100 -5.671 1.00 1.31 C ATOM 238 CD2 PHE A 101 65.294 0.358 -3.263 1.00 1.23 C ATOM 239 CE1 PHE A 101 66.054 1.350 -5.769 1.00 1.30 C ATOM 240 CE2 PHE A 101 65.918 1.608 -3.363 1.00 1.23 C ATOM 241 CZ PHE A 101 66.298 2.102 -4.616 1.00 0.40 C ATOM 0 H PHE A 101 62.962 -3.657 -4.122 1.00 0.60 H new ATOM 0 HA PHE A 101 62.372 -0.875 -4.227 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.410 -2.097 -3.281 1.00 0.57 H new ATOM 0 HB3 PHE A 101 64.913 -2.476 -4.917 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.244 -0.482 -6.562 1.00 1.31 H new ATOM 0 HD2 PHE A 101 65.001 -0.024 -2.296 1.00 1.23 H new ATOM 0 HE1 PHE A 101 66.346 1.733 -6.735 1.00 1.30 H new ATOM 0 HE2 PHE A 101 66.106 2.191 -2.473 1.00 1.23 H new ATOM 0 HZ PHE A 101 66.780 3.065 -4.692 1.00 0.40 H new ATOM 251 N ARG A 102 63.413 -2.021 -7.133 1.00 0.53 N ATOM 252 CA ARG A 102 63.403 -1.663 -8.582 1.00 0.70 C ATOM 253 C ARG A 102 62.002 -1.840 -9.173 1.00 0.80 C ATOM 254 O ARG A 102 61.725 -1.405 -10.274 1.00 1.09 O ATOM 255 CB ARG A 102 64.385 -2.635 -9.237 1.00 0.87 C ATOM 256 CG ARG A 102 65.271 -1.876 -10.229 1.00 1.28 C ATOM 257 CD ARG A 102 66.025 -2.874 -11.110 1.00 1.83 C ATOM 258 NE ARG A 102 66.807 -3.712 -10.159 1.00 2.26 N ATOM 259 CZ ARG A 102 67.306 -4.853 -10.552 1.00 2.89 C ATOM 260 NH1 ARG A 102 67.830 -4.959 -11.743 1.00 3.68 N ATOM 261 NH2 ARG A 102 67.284 -5.885 -9.754 1.00 3.22 N ATOM 0 H ARG A 102 63.855 -2.912 -6.909 1.00 0.53 H new ATOM 0 HA ARG A 102 63.683 -0.622 -8.746 1.00 0.70 H new ATOM 0 HB2 ARG A 102 65.001 -3.114 -8.476 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.841 -3.427 -9.752 1.00 0.87 H new ATOM 0 HG2 ARG A 102 64.661 -1.218 -10.848 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.978 -1.244 -9.691 1.00 1.28 H new ATOM 0 HD2 ARG A 102 65.336 -3.481 -11.697 1.00 1.83 H new ATOM 0 HD3 ARG A 102 66.679 -2.362 -11.816 1.00 1.83 H new ATOM 0 HE ARG A 102 66.953 -3.395 -9.201 1.00 2.26 H new ATOM 0 HH11 ARG A 102 67.849 -4.151 -12.365 1.00 3.68 H new ATOM 0 HH12 ARG A 102 68.220 -5.850 -12.051 1.00 3.68 H new ATOM 0 HH21 ARG A 102 66.877 -5.801 -8.823 1.00 3.22 H new ATOM 0 HH22 ARG A 102 67.674 -6.776 -10.062 1.00 3.22 H new ATOM 275 N MET A 103 61.116 -2.476 -8.458 1.00 0.68 N ATOM 276 CA MET A 103 59.738 -2.679 -8.991 1.00 0.81 C ATOM 277 C MET A 103 58.759 -1.692 -8.348 1.00 0.79 C ATOM 278 O MET A 103 57.576 -1.711 -8.623 1.00 0.90 O ATOM 279 CB MET A 103 59.373 -4.113 -8.613 1.00 0.91 C ATOM 280 CG MET A 103 57.961 -4.428 -9.110 1.00 1.35 C ATOM 281 SD MET A 103 57.580 -6.167 -8.788 1.00 1.92 S ATOM 282 CE MET A 103 58.160 -6.211 -7.074 1.00 1.63 C ATOM 0 H MET A 103 61.285 -2.863 -7.530 1.00 0.68 H new ATOM 0 HA MET A 103 59.690 -2.513 -10.067 1.00 0.81 H new ATOM 0 HB2 MET A 103 60.088 -4.809 -9.051 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.426 -4.240 -7.532 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.236 -3.787 -8.608 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.885 -4.220 -10.177 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.698 -7.051 -6.555 1.00 1.63 H new ATOM 0 HE2 MET A 103 59.244 -6.327 -7.059 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.888 -5.282 -6.574 1.00 1.63 H new ATOM 292 N PHE A 104 59.239 -0.831 -7.491 1.00 0.71 N ATOM 293 CA PHE A 104 58.322 0.149 -6.836 1.00 0.75 C ATOM 294 C PHE A 104 58.852 1.576 -7.001 1.00 0.68 C ATOM 295 O PHE A 104 58.168 2.536 -6.704 1.00 0.80 O ATOM 296 CB PHE A 104 58.307 -0.247 -5.360 1.00 0.76 C ATOM 297 CG PHE A 104 57.070 -1.064 -5.071 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.802 -0.531 -5.332 1.00 1.67 C ATOM 299 CD2 PHE A 104 57.192 -2.353 -4.540 1.00 1.71 C ATOM 300 CE1 PHE A 104 54.655 -1.289 -5.064 1.00 1.90 C ATOM 301 CE2 PHE A 104 56.045 -3.110 -4.272 1.00 2.03 C ATOM 302 CZ PHE A 104 54.778 -2.578 -4.533 1.00 1.76 C ATOM 0 H PHE A 104 60.219 -0.763 -7.217 1.00 0.71 H new ATOM 0 HA PHE A 104 57.325 0.132 -7.276 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.201 -0.822 -5.118 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.322 0.644 -4.733 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.708 0.465 -5.740 1.00 1.67 H new ATOM 0 HD2 PHE A 104 58.170 -2.764 -4.337 1.00 1.71 H new ATOM 0 HE1 PHE A 104 53.677 -0.879 -5.267 1.00 1.90 H new ATOM 0 HE2 PHE A 104 56.139 -4.105 -3.863 1.00 2.03 H new ATOM 0 HZ PHE A 104 53.894 -3.162 -4.325 1.00 1.76 H new ATOM 312 N ASP A 105 60.060 1.728 -7.471 1.00 0.58 N ATOM 313 CA ASP A 105 60.619 3.100 -7.650 1.00 0.52 C ATOM 314 C ASP A 105 59.765 3.892 -8.642 1.00 0.52 C ATOM 315 O ASP A 105 60.028 3.907 -9.828 1.00 0.60 O ATOM 316 CB ASP A 105 62.029 2.887 -8.203 1.00 0.60 C ATOM 317 CG ASP A 105 62.881 4.127 -7.922 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.327 5.113 -7.461 1.00 0.48 O ATOM 319 OD2 ASP A 105 64.073 4.070 -8.171 1.00 0.54 O ATOM 0 H ASP A 105 60.683 0.965 -7.738 1.00 0.58 H new ATOM 0 HA ASP A 105 60.630 3.666 -6.719 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.483 2.009 -7.743 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.986 2.698 -9.276 1.00 0.60 H new ATOM 324 N LYS A 106 58.744 4.552 -8.167 1.00 0.51 N ATOM 325 CA LYS A 106 57.878 5.342 -9.087 1.00 0.60 C ATOM 326 C LYS A 106 58.714 6.397 -9.814 1.00 0.59 C ATOM 327 O LYS A 106 58.509 6.670 -10.981 1.00 0.70 O ATOM 328 CB LYS A 106 56.842 6.010 -8.181 1.00 0.63 C ATOM 329 CG LYS A 106 55.803 6.733 -9.041 1.00 1.39 C ATOM 330 CD LYS A 106 56.226 8.190 -9.236 1.00 1.58 C ATOM 331 CE LYS A 106 56.036 8.959 -7.927 1.00 2.00 C ATOM 332 NZ LYS A 106 55.775 10.365 -8.341 1.00 2.79 N ATOM 0 H LYS A 106 58.473 4.578 -7.184 1.00 0.51 H new ATOM 0 HA LYS A 106 57.409 4.722 -9.851 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.355 5.263 -7.555 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.331 6.717 -7.511 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.708 6.238 -10.008 1.00 1.39 H new ATOM 0 HG3 LYS A 106 54.825 6.688 -8.562 1.00 1.39 H new ATOM 0 HD2 LYS A 106 57.269 8.238 -9.549 1.00 1.58 H new ATOM 0 HD3 LYS A 106 55.634 8.648 -10.028 1.00 1.58 H new ATOM 0 HE2 LYS A 106 55.204 8.556 -7.350 1.00 2.00 H new ATOM 0 HE3 LYS A 106 56.923 8.891 -7.297 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 55.634 10.955 -7.496 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 56.587 10.724 -8.883 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 54.921 10.400 -8.934 1.00 2.79 H new ATOM 346 N ASN A 107 59.658 6.991 -9.136 1.00 0.53 N ATOM 347 CA ASN A 107 60.506 8.025 -9.796 1.00 0.59 C ATOM 348 C ASN A 107 61.436 7.370 -10.822 1.00 0.60 C ATOM 349 O ASN A 107 61.896 8.003 -11.751 1.00 0.71 O ATOM 350 CB ASN A 107 61.313 8.654 -8.660 1.00 0.62 C ATOM 351 CG ASN A 107 62.372 9.593 -9.239 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.452 9.715 -8.696 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.107 10.268 -10.323 1.00 1.67 N ATOM 0 H ASN A 107 59.878 6.806 -8.157 1.00 0.53 H new ATOM 0 HA ASN A 107 59.915 8.766 -10.334 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.651 9.205 -7.992 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.790 7.875 -8.065 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.806 10.898 -10.715 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.200 10.165 -10.779 1.00 1.67 H new ATOM 360 N ALA A 108 61.709 6.104 -10.663 1.00 0.56 N ATOM 361 CA ALA A 108 62.603 5.407 -11.633 1.00 0.62 C ATOM 362 C ALA A 108 63.920 6.173 -11.792 1.00 0.64 C ATOM 363 O ALA A 108 64.294 6.561 -12.881 1.00 0.78 O ATOM 364 CB ALA A 108 61.824 5.399 -12.948 1.00 0.72 C ATOM 0 H ALA A 108 61.353 5.522 -9.905 1.00 0.56 H new ATOM 0 HA ALA A 108 62.864 4.401 -11.305 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.414 4.902 -13.718 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.884 4.865 -12.811 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.618 6.424 -13.255 1.00 0.72 H new ATOM 370 N ASP A 109 64.625 6.394 -10.716 1.00 0.57 N ATOM 371 CA ASP A 109 65.916 7.136 -10.813 1.00 0.63 C ATOM 372 C ASP A 109 67.031 6.374 -10.085 1.00 0.63 C ATOM 373 O ASP A 109 68.186 6.745 -10.145 1.00 0.76 O ATOM 374 CB ASP A 109 65.652 8.480 -10.133 1.00 0.62 C ATOM 375 CG ASP A 109 65.587 8.283 -8.616 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.593 7.751 -8.150 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.532 8.668 -7.948 1.00 1.20 O ATOM 0 H ASP A 109 64.365 6.094 -9.776 1.00 0.57 H new ATOM 0 HA ASP A 109 66.242 7.257 -11.846 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.442 9.188 -10.385 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.716 8.905 -10.495 1.00 0.62 H new ATOM 382 N GLY A 110 66.694 5.317 -9.396 1.00 0.58 N ATOM 383 CA GLY A 110 67.738 4.540 -8.666 1.00 0.62 C ATOM 384 C GLY A 110 67.461 4.605 -7.162 1.00 0.54 C ATOM 385 O GLY A 110 67.796 3.704 -6.419 1.00 0.57 O ATOM 0 H GLY A 110 65.743 4.958 -9.307 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.737 3.503 -9.003 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.727 4.945 -8.883 1.00 0.62 H new ATOM 389 N TYR A 111 66.849 5.664 -6.712 1.00 0.50 N ATOM 390 CA TYR A 111 66.542 5.795 -5.258 1.00 0.48 C ATOM 391 C TYR A 111 65.048 6.066 -5.070 1.00 0.42 C ATOM 392 O TYR A 111 64.325 6.274 -6.023 1.00 0.52 O ATOM 393 CB TYR A 111 67.365 6.993 -4.781 1.00 0.52 C ATOM 394 CG TYR A 111 68.827 6.759 -5.079 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.280 6.744 -6.403 1.00 1.38 C ATOM 396 CD2 TYR A 111 69.732 6.559 -4.029 1.00 1.36 C ATOM 397 CE1 TYR A 111 70.635 6.529 -6.678 1.00 1.46 C ATOM 398 CE2 TYR A 111 71.088 6.344 -4.303 1.00 1.40 C ATOM 399 CZ TYR A 111 71.540 6.329 -5.628 1.00 0.83 C ATOM 400 OH TYR A 111 72.876 6.117 -5.899 1.00 0.97 O ATOM 0 H TYR A 111 66.546 6.448 -7.290 1.00 0.50 H new ATOM 0 HA TYR A 111 66.783 4.891 -4.699 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.024 7.901 -5.278 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.222 7.142 -3.711 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.583 6.899 -7.213 1.00 1.38 H new ATOM 0 HD2 TYR A 111 69.383 6.571 -3.007 1.00 1.36 H new ATOM 0 HE1 TYR A 111 70.983 6.517 -7.700 1.00 1.46 H new ATOM 0 HE2 TYR A 111 71.785 6.190 -3.493 1.00 1.40 H new ATOM 0 HH TYR A 111 73.365 5.997 -5.058 1.00 0.97 H new ATOM 410 N ILE A 112 64.576 6.070 -3.855 1.00 0.36 N ATOM 411 CA ILE A 112 63.126 6.337 -3.628 1.00 0.32 C ATOM 412 C ILE A 112 62.938 7.333 -2.488 1.00 0.35 C ATOM 413 O ILE A 112 63.551 7.228 -1.445 1.00 0.43 O ATOM 414 CB ILE A 112 62.516 4.994 -3.273 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.996 3.978 -4.315 1.00 0.40 C ATOM 416 CG2 ILE A 112 60.986 5.130 -3.304 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.918 2.930 -4.583 1.00 0.46 C ATOM 0 H ILE A 112 65.126 5.901 -3.013 1.00 0.36 H new ATOM 0 HA ILE A 112 62.652 6.773 -4.507 1.00 0.32 H new ATOM 0 HB ILE A 112 62.815 4.663 -2.278 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.249 4.492 -5.242 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.905 3.490 -3.963 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.530 4.173 -3.051 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.673 5.883 -2.581 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.668 5.431 -4.302 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.279 2.218 -5.326 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.685 2.403 -3.658 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.019 3.420 -4.957 1.00 0.46 H new ATOM 429 N ASP A 113 62.092 8.299 -2.684 1.00 0.36 N ATOM 430 CA ASP A 113 61.856 9.311 -1.614 1.00 0.44 C ATOM 431 C ASP A 113 60.608 8.945 -0.807 1.00 0.44 C ATOM 432 O ASP A 113 60.002 7.915 -1.018 1.00 0.60 O ATOM 433 CB ASP A 113 61.659 10.637 -2.354 1.00 0.56 C ATOM 434 CG ASP A 113 60.263 10.678 -2.978 1.00 0.94 C ATOM 435 OD1 ASP A 113 60.020 9.907 -3.890 1.00 1.58 O ATOM 436 OD2 ASP A 113 59.461 11.482 -2.531 1.00 1.53 O ATOM 0 H ASP A 113 61.551 8.435 -3.538 1.00 0.36 H new ATOM 0 HA ASP A 113 62.683 9.365 -0.906 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.784 11.471 -1.664 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.417 10.748 -3.129 1.00 0.56 H new ATOM 441 N LEU A 114 60.221 9.780 0.120 1.00 0.47 N ATOM 442 CA LEU A 114 59.014 9.471 0.941 1.00 0.47 C ATOM 443 C LEU A 114 57.761 9.420 0.059 1.00 0.50 C ATOM 444 O LEU A 114 56.973 8.499 0.140 1.00 0.52 O ATOM 445 CB LEU A 114 58.915 10.616 1.949 1.00 0.57 C ATOM 446 CG LEU A 114 58.320 10.091 3.256 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.740 11.000 4.412 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.793 10.076 3.149 1.00 1.57 C ATOM 0 H LEU A 114 60.686 10.660 0.344 1.00 0.47 H new ATOM 0 HA LEU A 114 59.091 8.500 1.431 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.902 11.042 2.131 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.292 11.415 1.548 1.00 0.57 H new ATOM 0 HG LEU A 114 58.684 9.080 3.440 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.315 10.625 5.343 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.827 11.013 4.488 1.00 1.36 H new ATOM 0 HD13 LEU A 114 58.377 12.012 4.230 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.367 9.702 4.080 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.431 11.088 2.965 1.00 1.57 H new ATOM 0 HD23 LEU A 114 56.492 9.428 2.326 1.00 1.57 H new ATOM 460 N GLU A 115 57.567 10.403 -0.780 1.00 0.56 N ATOM 461 CA GLU A 115 56.360 10.405 -1.660 1.00 0.64 C ATOM 462 C GLU A 115 56.280 9.103 -2.461 1.00 0.56 C ATOM 463 O GLU A 115 55.213 8.559 -2.673 1.00 0.61 O ATOM 464 CB GLU A 115 56.550 11.599 -2.598 1.00 0.77 C ATOM 465 CG GLU A 115 56.636 12.888 -1.779 1.00 1.54 C ATOM 466 CD GLU A 115 55.996 14.035 -2.563 1.00 2.04 C ATOM 467 OE1 GLU A 115 55.027 13.783 -3.259 1.00 2.45 O ATOM 468 OE2 GLU A 115 56.486 15.147 -2.454 1.00 2.67 O ATOM 0 H GLU A 115 58.190 11.203 -0.894 1.00 0.56 H new ATOM 0 HA GLU A 115 55.437 10.480 -1.086 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.458 11.470 -3.188 1.00 0.77 H new ATOM 0 HB3 GLU A 115 55.719 11.658 -3.301 1.00 0.77 H new ATOM 0 HG2 GLU A 115 56.128 12.759 -0.823 1.00 1.54 H new ATOM 0 HG3 GLU A 115 57.677 13.122 -1.557 1.00 1.54 H new ATOM 475 N GLU A 116 57.396 8.598 -2.912 1.00 0.49 N ATOM 476 CA GLU A 116 57.378 7.333 -3.702 1.00 0.45 C ATOM 477 C GLU A 116 57.059 6.141 -2.795 1.00 0.43 C ATOM 478 O GLU A 116 56.285 5.274 -3.146 1.00 0.51 O ATOM 479 CB GLU A 116 58.787 7.206 -4.279 1.00 0.42 C ATOM 480 CG GLU A 116 58.922 8.118 -5.500 1.00 0.94 C ATOM 481 CD GLU A 116 60.381 8.142 -5.958 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.881 7.094 -6.334 1.00 1.43 O ATOM 483 OE2 GLU A 116 60.974 9.208 -5.928 1.00 1.28 O ATOM 0 H GLU A 116 58.320 9.006 -2.768 1.00 0.49 H new ATOM 0 HA GLU A 116 56.617 7.347 -4.482 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.526 7.478 -3.525 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.984 6.172 -4.561 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.282 7.761 -6.307 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.590 9.126 -5.253 1.00 0.94 H new ATOM 490 N LEU A 117 57.647 6.090 -1.630 1.00 0.37 N ATOM 491 CA LEU A 117 57.369 4.951 -0.710 1.00 0.42 C ATOM 492 C LEU A 117 55.873 4.885 -0.404 1.00 0.50 C ATOM 493 O LEU A 117 55.297 3.821 -0.299 1.00 0.58 O ATOM 494 CB LEU A 117 58.161 5.261 0.562 1.00 0.43 C ATOM 495 CG LEU A 117 57.916 4.157 1.593 1.00 0.61 C ATOM 496 CD1 LEU A 117 59.228 3.426 1.883 1.00 0.90 C ATOM 497 CD2 LEU A 117 57.382 4.777 2.887 1.00 1.53 C ATOM 0 H LEU A 117 58.305 6.785 -1.277 1.00 0.37 H new ATOM 0 HA LEU A 117 57.654 3.991 -1.140 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.224 5.331 0.334 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.857 6.226 0.967 1.00 0.43 H new ATOM 0 HG LEU A 117 57.186 3.450 1.199 1.00 0.61 H new ATOM 0 HD11 LEU A 117 59.052 2.640 2.617 1.00 0.90 H new ATOM 0 HD12 LEU A 117 59.609 2.984 0.963 1.00 0.90 H new ATOM 0 HD13 LEU A 117 59.959 4.133 2.276 1.00 0.90 H new ATOM 0 HD21 LEU A 117 57.207 3.991 3.622 1.00 1.53 H new ATOM 0 HD22 LEU A 117 58.112 5.485 3.279 1.00 1.53 H new ATOM 0 HD23 LEU A 117 56.446 5.297 2.682 1.00 1.53 H new ATOM 509 N LYS A 118 55.240 6.016 -0.263 1.00 0.52 N ATOM 510 CA LYS A 118 53.782 6.019 0.032 1.00 0.63 C ATOM 511 C LYS A 118 53.018 5.321 -1.095 1.00 0.71 C ATOM 512 O LYS A 118 52.006 4.686 -0.875 1.00 0.83 O ATOM 513 CB LYS A 118 53.394 7.495 0.110 1.00 0.68 C ATOM 514 CG LYS A 118 54.116 8.152 1.288 1.00 1.05 C ATOM 515 CD LYS A 118 53.928 9.669 1.223 1.00 1.33 C ATOM 516 CE LYS A 118 53.148 10.139 2.453 1.00 1.49 C ATOM 517 NZ LYS A 118 53.125 11.624 2.346 1.00 1.82 N ATOM 0 H LYS A 118 55.670 6.938 -0.339 1.00 0.52 H new ATOM 0 HA LYS A 118 53.545 5.489 0.955 1.00 0.63 H new ATOM 0 HB2 LYS A 118 53.657 8.001 -0.819 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.315 7.592 0.231 1.00 0.68 H new ATOM 0 HG2 LYS A 118 53.723 7.767 2.229 1.00 1.05 H new ATOM 0 HG3 LYS A 118 55.177 7.905 1.261 1.00 1.05 H new ATOM 0 HD2 LYS A 118 54.898 10.165 1.183 1.00 1.33 H new ATOM 0 HD3 LYS A 118 53.393 9.941 0.313 1.00 1.33 H new ATOM 0 HE2 LYS A 118 52.139 9.728 2.462 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.632 9.817 3.375 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 53.314 12.042 3.279 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 53.854 11.935 1.673 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 52.190 11.933 2.011 1.00 1.82 H new ATOM 531 N ILE A 119 53.501 5.431 -2.302 1.00 0.72 N ATOM 532 CA ILE A 119 52.807 4.773 -3.445 1.00 0.84 C ATOM 533 C ILE A 119 53.086 3.269 -3.430 1.00 0.86 C ATOM 534 O ILE A 119 52.271 2.473 -3.852 1.00 0.96 O ATOM 535 CB ILE A 119 53.408 5.421 -4.692 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.813 6.818 -4.874 1.00 1.00 C ATOM 537 CG2 ILE A 119 53.085 4.566 -5.919 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.360 7.441 -6.157 1.00 1.08 C ATOM 0 H ILE A 119 54.346 5.948 -2.546 1.00 0.72 H new ATOM 0 HA ILE A 119 51.725 4.895 -3.404 1.00 0.84 H new ATOM 0 HB ILE A 119 54.489 5.496 -4.578 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.726 6.759 -4.921 1.00 1.00 H new ATOM 0 HG13 ILE A 119 53.061 7.445 -4.018 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.514 5.029 -6.808 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.507 3.569 -5.789 1.00 1.06 H new ATOM 0 HG23 ILE A 119 52.004 4.490 -6.035 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.936 8.437 -6.287 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.446 7.514 -6.092 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.089 6.817 -7.009 1.00 1.08 H new ATOM 550 N MET A 120 54.231 2.873 -2.943 1.00 0.82 N ATOM 551 CA MET A 120 54.557 1.419 -2.897 1.00 0.92 C ATOM 552 C MET A 120 53.577 0.697 -1.969 1.00 0.92 C ATOM 553 O MET A 120 53.028 -0.333 -2.307 1.00 1.01 O ATOM 554 CB MET A 120 55.978 1.350 -2.335 1.00 0.96 C ATOM 555 CG MET A 120 56.345 -0.107 -2.051 1.00 1.50 C ATOM 556 SD MET A 120 58.118 -0.347 -2.325 1.00 2.13 S ATOM 557 CE MET A 120 58.703 0.652 -0.935 1.00 2.73 C ATOM 0 H MET A 120 54.953 3.492 -2.576 1.00 0.82 H new ATOM 0 HA MET A 120 54.484 0.943 -3.875 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.683 1.782 -3.046 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.047 1.938 -1.420 1.00 0.96 H new ATOM 0 HG2 MET A 120 56.087 -0.365 -1.024 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.773 -0.770 -2.700 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.473 1.342 -1.281 1.00 2.73 H new ATOM 0 HE2 MET A 120 57.870 1.218 -0.517 1.00 2.73 H new ATOM 0 HE3 MET A 120 59.119 -0.001 -0.168 1.00 2.73 H new ATOM 567 N LEU A 121 53.350 1.238 -0.804 1.00 0.88 N ATOM 568 CA LEU A 121 52.399 0.595 0.147 1.00 0.96 C ATOM 569 C LEU A 121 50.971 0.739 -0.372 1.00 0.99 C ATOM 570 O LEU A 121 50.140 -0.128 -0.189 1.00 1.12 O ATOM 571 CB LEU A 121 52.558 1.367 1.451 1.00 0.98 C ATOM 572 CG LEU A 121 54.042 1.502 1.804 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.181 1.954 3.259 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.737 0.150 1.626 1.00 1.81 C ATOM 0 H LEU A 121 53.782 2.099 -0.469 1.00 0.88 H new ATOM 0 HA LEU A 121 52.598 -0.469 0.273 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.107 2.355 1.355 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.030 0.853 2.254 1.00 0.98 H new ATOM 0 HG LEU A 121 54.504 2.238 1.146 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.237 2.050 3.511 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.688 2.917 3.390 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.717 1.217 3.915 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.793 0.248 1.878 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.274 -0.586 2.283 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.639 -0.176 0.590 1.00 1.81 H new ATOM 586 N GLN A 122 50.680 1.833 -1.020 1.00 0.95 N ATOM 587 CA GLN A 122 49.307 2.029 -1.558 1.00 1.05 C ATOM 588 C GLN A 122 49.047 0.996 -2.649 1.00 1.12 C ATOM 589 O GLN A 122 47.938 0.540 -2.839 1.00 1.24 O ATOM 590 CB GLN A 122 49.301 3.443 -2.134 1.00 1.07 C ATOM 591 CG GLN A 122 48.674 4.395 -1.117 1.00 1.49 C ATOM 592 CD GLN A 122 49.311 5.779 -1.251 1.00 1.51 C ATOM 593 OE1 GLN A 122 49.331 6.350 -2.323 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.835 6.347 -0.200 1.00 1.52 N ATOM 0 H GLN A 122 51.332 2.597 -1.199 1.00 0.95 H new ATOM 0 HA GLN A 122 48.532 1.908 -0.801 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.318 3.758 -2.367 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.738 3.466 -3.067 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.598 4.461 -1.280 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.820 4.012 -0.107 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.818 5.868 0.700 1.00 1.52 H new ATOM 0 HE22 GLN A 122 50.261 7.270 -0.279 1.00 1.52 H new ATOM 603 N ALA A 123 50.075 0.611 -3.353 1.00 1.11 N ATOM 604 CA ALA A 123 49.901 -0.412 -4.418 1.00 1.26 C ATOM 605 C ALA A 123 49.602 -1.759 -3.763 1.00 1.39 C ATOM 606 O ALA A 123 49.116 -2.678 -4.392 1.00 1.55 O ATOM 607 CB ALA A 123 51.238 -0.454 -5.158 1.00 1.31 C ATOM 0 H ALA A 123 51.026 0.961 -3.236 1.00 1.11 H new ATOM 0 HA ALA A 123 49.081 -0.184 -5.099 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.186 -1.189 -5.961 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.452 0.529 -5.579 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.030 -0.732 -4.463 1.00 1.31 H new ATOM 682 N THR A 129 48.147 6.286 6.285 1.00 1.18 N ATOM 683 CA THR A 129 48.265 7.507 5.436 1.00 1.21 C ATOM 684 C THR A 129 49.636 8.159 5.633 1.00 1.10 C ATOM 685 O THR A 129 50.556 7.551 6.141 1.00 1.04 O ATOM 686 CB THR A 129 47.154 8.439 5.924 1.00 1.37 C ATOM 687 OG1 THR A 129 47.392 8.785 7.282 1.00 1.63 O ATOM 688 CG2 THR A 129 45.803 7.733 5.806 1.00 1.63 C ATOM 0 HA THR A 129 48.171 7.281 4.374 1.00 1.21 H new ATOM 0 HB THR A 129 47.143 9.342 5.314 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.886 8.062 7.722 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.013 8.399 6.154 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.621 7.467 4.765 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.810 6.829 6.415 1.00 1.63 H new ATOM 696 N GLU A 130 49.777 9.395 5.236 1.00 1.13 N ATOM 697 CA GLU A 130 51.088 10.087 5.401 1.00 1.09 C ATOM 698 C GLU A 130 51.453 10.182 6.884 1.00 1.03 C ATOM 699 O GLU A 130 52.573 10.492 7.240 1.00 0.98 O ATOM 700 CB GLU A 130 50.877 11.482 4.810 1.00 1.23 C ATOM 701 CG GLU A 130 49.801 12.219 5.611 1.00 1.68 C ATOM 702 CD GLU A 130 49.884 13.719 5.323 1.00 2.20 C ATOM 703 OE1 GLU A 130 50.788 14.115 4.606 1.00 2.77 O ATOM 704 OE2 GLU A 130 49.042 14.446 5.824 1.00 2.66 O ATOM 0 H GLU A 130 49.042 9.955 4.805 1.00 1.13 H new ATOM 0 HA GLU A 130 51.901 9.554 4.908 1.00 1.09 H new ATOM 0 HB2 GLU A 130 51.811 12.043 4.833 1.00 1.23 H new ATOM 0 HB3 GLU A 130 50.578 11.404 3.765 1.00 1.23 H new ATOM 0 HG2 GLU A 130 48.813 11.842 5.346 1.00 1.68 H new ATOM 0 HG3 GLU A 130 49.937 12.035 6.677 1.00 1.68 H new ATOM 711 N ASP A 131 50.516 9.918 7.753 1.00 1.08 N ATOM 712 CA ASP A 131 50.809 9.995 9.213 1.00 1.10 C ATOM 713 C ASP A 131 51.665 8.801 9.644 1.00 0.95 C ATOM 714 O ASP A 131 52.555 8.925 10.462 1.00 0.88 O ATOM 715 CB ASP A 131 49.442 9.947 9.893 1.00 1.27 C ATOM 716 CG ASP A 131 49.183 11.271 10.616 1.00 1.65 C ATOM 717 OD1 ASP A 131 48.753 12.206 9.961 1.00 2.09 O ATOM 718 OD2 ASP A 131 49.420 11.326 11.811 1.00 2.28 O ATOM 0 H ASP A 131 49.560 9.652 7.516 1.00 1.08 H new ATOM 0 HA ASP A 131 51.364 10.895 9.476 1.00 1.10 H new ATOM 0 HB2 ASP A 131 48.662 9.766 9.153 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.406 9.120 10.602 1.00 1.27 H new ATOM 723 N ASP A 132 51.404 7.643 9.100 1.00 0.96 N ATOM 724 CA ASP A 132 52.202 6.442 9.478 1.00 0.88 C ATOM 725 C ASP A 132 53.396 6.280 8.532 1.00 0.76 C ATOM 726 O ASP A 132 54.361 5.613 8.845 1.00 0.72 O ATOM 727 CB ASP A 132 51.238 5.265 9.333 1.00 0.99 C ATOM 728 CG ASP A 132 50.920 4.691 10.715 1.00 1.31 C ATOM 729 OD1 ASP A 132 51.819 4.653 11.539 1.00 1.70 O ATOM 730 OD2 ASP A 132 49.784 4.299 10.926 1.00 1.95 O ATOM 0 H ASP A 132 50.672 7.477 8.410 1.00 0.96 H new ATOM 0 HA ASP A 132 52.606 6.515 10.488 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.320 5.591 8.843 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.680 4.495 8.701 1.00 0.99 H new ATOM 735 N ILE A 133 53.335 6.884 7.377 1.00 0.78 N ATOM 736 CA ILE A 133 54.466 6.765 6.412 1.00 0.73 C ATOM 737 C ILE A 133 55.470 7.900 6.631 1.00 0.66 C ATOM 738 O ILE A 133 56.551 7.902 6.076 1.00 0.63 O ATOM 739 CB ILE A 133 53.820 6.881 5.031 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.705 5.840 4.902 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.874 6.633 3.950 1.00 1.14 C ATOM 742 CD1 ILE A 133 52.082 5.928 3.508 1.00 0.96 C ATOM 0 H ILE A 133 52.552 7.455 7.059 1.00 0.78 H new ATOM 0 HA ILE A 133 55.013 5.830 6.530 1.00 0.73 H new ATOM 0 HB ILE A 133 53.403 7.881 4.909 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.105 4.840 5.070 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.944 6.011 5.663 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.412 6.716 2.966 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.670 7.372 4.041 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.292 5.634 4.072 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.288 5.187 3.417 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.667 6.925 3.357 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.846 5.736 2.755 1.00 0.96 H new ATOM 754 N GLU A 134 55.120 8.866 7.435 1.00 0.73 N ATOM 755 CA GLU A 134 56.054 10.001 7.689 1.00 0.77 C ATOM 756 C GLU A 134 57.171 9.566 8.641 1.00 0.70 C ATOM 757 O GLU A 134 58.340 9.735 8.358 1.00 0.68 O ATOM 758 CB GLU A 134 55.190 11.086 8.335 1.00 0.96 C ATOM 759 CG GLU A 134 54.681 12.043 7.256 1.00 0.95 C ATOM 760 CD GLU A 134 55.770 13.066 6.928 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.190 13.765 7.834 1.00 2.27 O ATOM 762 OE2 GLU A 134 56.165 13.132 5.776 1.00 2.07 O ATOM 0 H GLU A 134 54.228 8.919 7.927 1.00 0.73 H new ATOM 0 HA GLU A 134 56.536 10.352 6.776 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.349 10.632 8.859 1.00 0.96 H new ATOM 0 HB3 GLU A 134 55.770 11.634 9.077 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.408 11.486 6.360 1.00 0.95 H new ATOM 0 HG3 GLU A 134 53.781 12.552 7.601 1.00 0.95 H new ATOM 769 N GLU A 135 56.820 9.009 9.767 1.00 0.74 N ATOM 770 CA GLU A 135 57.863 8.564 10.736 1.00 0.76 C ATOM 771 C GLU A 135 58.494 7.249 10.269 1.00 0.66 C ATOM 772 O GLU A 135 59.504 6.817 10.787 1.00 0.74 O ATOM 773 CB GLU A 135 57.116 8.362 12.055 1.00 0.88 C ATOM 774 CG GLU A 135 57.082 9.680 12.829 1.00 1.20 C ATOM 775 CD GLU A 135 56.060 9.580 13.964 1.00 1.48 C ATOM 776 OE1 GLU A 135 55.414 8.549 14.063 1.00 2.16 O ATOM 777 OE2 GLU A 135 55.941 10.534 14.714 1.00 1.95 O ATOM 0 H GLU A 135 55.857 8.842 10.059 1.00 0.74 H new ATOM 0 HA GLU A 135 58.673 9.287 10.832 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.101 8.016 11.861 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.607 7.592 12.649 1.00 0.88 H new ATOM 0 HG2 GLU A 135 58.070 9.902 13.233 1.00 1.20 H new ATOM 0 HG3 GLU A 135 56.820 10.500 12.160 1.00 1.20 H new ATOM 784 N LEU A 136 57.907 6.610 9.294 1.00 0.62 N ATOM 785 CA LEU A 136 58.475 5.324 8.797 1.00 0.66 C ATOM 786 C LEU A 136 59.730 5.587 7.961 1.00 0.61 C ATOM 787 O LEU A 136 60.800 5.093 8.259 1.00 0.70 O ATOM 788 CB LEU A 136 57.372 4.712 7.933 1.00 0.77 C ATOM 789 CG LEU A 136 57.160 3.251 8.332 1.00 0.86 C ATOM 790 CD1 LEU A 136 58.425 2.447 8.025 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.858 3.171 9.831 1.00 1.38 C ATOM 0 H LEU A 136 57.059 6.922 8.820 1.00 0.62 H new ATOM 0 HA LEU A 136 58.770 4.661 9.610 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.445 5.272 8.058 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.644 4.776 6.879 1.00 0.77 H new ATOM 0 HG LEU A 136 56.323 2.839 7.768 1.00 0.86 H new ATOM 0 HD11 LEU A 136 58.273 1.406 8.310 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.642 2.503 6.958 1.00 1.63 H new ATOM 0 HD13 LEU A 136 59.263 2.858 8.588 1.00 1.63 H new ATOM 0 HD21 LEU A 136 56.707 2.130 10.117 1.00 1.38 H new ATOM 0 HD22 LEU A 136 57.696 3.584 10.393 1.00 1.38 H new ATOM 0 HD23 LEU A 136 55.956 3.742 10.052 1.00 1.38 H new ATOM 803 N MET A 137 59.608 6.360 6.917 1.00 0.55 N ATOM 804 CA MET A 137 60.795 6.653 6.063 1.00 0.59 C ATOM 805 C MET A 137 61.896 7.318 6.895 1.00 0.65 C ATOM 806 O MET A 137 63.056 7.298 6.532 1.00 0.81 O ATOM 807 CB MET A 137 60.277 7.610 4.986 1.00 0.60 C ATOM 808 CG MET A 137 61.456 8.319 4.319 1.00 0.96 C ATOM 809 SD MET A 137 62.615 7.087 3.674 1.00 1.23 S ATOM 810 CE MET A 137 61.823 6.852 2.065 1.00 1.35 C ATOM 0 H MET A 137 58.738 6.801 6.618 1.00 0.55 H new ATOM 0 HA MET A 137 61.229 5.751 5.632 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.703 7.059 4.241 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.603 8.343 5.430 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.100 8.957 3.510 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.959 8.966 5.038 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.548 6.448 1.358 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.990 6.156 2.168 1.00 1.35 H new ATOM 0 HE3 MET A 137 61.453 7.809 1.698 1.00 1.35 H new ATOM 820 N LYS A 138 61.543 7.905 8.004 1.00 0.62 N ATOM 821 CA LYS A 138 62.572 8.571 8.855 1.00 0.79 C ATOM 822 C LYS A 138 63.526 7.531 9.448 1.00 0.86 C ATOM 823 O LYS A 138 64.714 7.757 9.561 1.00 1.16 O ATOM 824 CB LYS A 138 61.782 9.265 9.964 1.00 0.87 C ATOM 825 CG LYS A 138 62.753 9.877 10.976 1.00 1.55 C ATOM 826 CD LYS A 138 62.553 11.392 11.023 1.00 2.07 C ATOM 827 CE LYS A 138 62.551 11.862 12.480 1.00 2.85 C ATOM 828 NZ LYS A 138 61.372 11.193 13.097 1.00 3.36 N ATOM 0 H LYS A 138 60.588 7.953 8.359 1.00 0.62 H new ATOM 0 HA LYS A 138 63.182 9.274 8.287 1.00 0.79 H new ATOM 0 HB2 LYS A 138 61.145 10.041 9.540 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.126 8.550 10.460 1.00 0.87 H new ATOM 0 HG2 LYS A 138 62.585 9.447 11.963 1.00 1.55 H new ATOM 0 HG3 LYS A 138 63.781 9.644 10.697 1.00 1.55 H new ATOM 0 HD2 LYS A 138 63.348 11.892 10.470 1.00 2.07 H new ATOM 0 HD3 LYS A 138 61.612 11.660 10.542 1.00 2.07 H new ATOM 0 HE2 LYS A 138 63.474 11.582 12.987 1.00 2.85 H new ATOM 0 HE3 LYS A 138 62.468 12.947 12.545 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 60.893 11.856 13.739 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 60.712 10.895 12.351 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 61.687 10.359 13.633 1.00 3.36 H new ATOM 842 N ASP A 139 63.016 6.392 9.832 1.00 0.71 N ATOM 843 CA ASP A 139 63.896 5.342 10.421 1.00 0.85 C ATOM 844 C ASP A 139 64.518 4.485 9.315 1.00 0.85 C ATOM 845 O ASP A 139 65.616 3.982 9.450 1.00 1.02 O ATOM 846 CB ASP A 139 62.970 4.495 11.296 1.00 0.97 C ATOM 847 CG ASP A 139 63.661 4.190 12.626 1.00 1.50 C ATOM 848 OD1 ASP A 139 64.876 4.077 12.628 1.00 1.80 O ATOM 849 OD2 ASP A 139 62.963 4.073 13.621 1.00 2.33 O ATOM 0 H ASP A 139 62.029 6.143 9.763 1.00 0.71 H new ATOM 0 HA ASP A 139 64.721 5.770 10.991 1.00 0.85 H new ATOM 0 HB2 ASP A 139 62.035 5.026 11.474 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.718 3.566 10.784 1.00 0.97 H new ATOM 854 N GLY A 140 63.825 4.314 8.223 1.00 0.81 N ATOM 855 CA GLY A 140 64.378 3.488 7.112 1.00 0.86 C ATOM 856 C GLY A 140 65.675 4.118 6.599 1.00 0.77 C ATOM 857 O GLY A 140 66.650 3.438 6.348 1.00 0.86 O ATOM 0 H GLY A 140 62.901 4.710 8.052 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.568 2.473 7.460 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.652 3.417 6.302 1.00 0.86 H new ATOM 861 N ASP A 141 65.692 5.413 6.438 1.00 0.70 N ATOM 862 CA ASP A 141 66.926 6.086 5.937 1.00 0.66 C ATOM 863 C ASP A 141 68.094 5.834 6.894 1.00 0.74 C ATOM 864 O ASP A 141 68.131 6.352 7.992 1.00 0.87 O ATOM 865 CB ASP A 141 66.578 7.574 5.898 1.00 0.66 C ATOM 866 CG ASP A 141 66.435 8.031 4.445 1.00 0.76 C ATOM 867 OD1 ASP A 141 66.578 7.199 3.565 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.187 9.208 4.237 1.00 0.83 O ATOM 0 H ASP A 141 64.906 6.034 6.631 1.00 0.70 H new ATOM 0 HA ASP A 141 67.231 5.712 4.960 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.649 7.755 6.439 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.356 8.153 6.397 1.00 0.66 H new ATOM 873 N LYS A 142 69.049 5.045 6.484 1.00 0.75 N ATOM 874 CA LYS A 142 70.215 4.767 7.370 1.00 0.87 C ATOM 875 C LYS A 142 71.133 5.989 7.430 1.00 0.89 C ATOM 876 O LYS A 142 71.995 6.088 8.281 1.00 1.05 O ATOM 877 CB LYS A 142 70.935 3.586 6.720 1.00 0.89 C ATOM 878 CG LYS A 142 71.691 2.798 7.791 1.00 1.24 C ATOM 879 CD LYS A 142 73.194 3.026 7.627 1.00 1.26 C ATOM 880 CE LYS A 142 73.935 1.700 7.813 1.00 1.55 C ATOM 881 NZ LYS A 142 74.962 1.678 6.734 1.00 1.99 N ATOM 0 H LYS A 142 69.073 4.582 5.576 1.00 0.75 H new ATOM 0 HA LYS A 142 69.913 4.545 8.394 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.216 2.939 6.218 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.628 3.943 5.959 1.00 0.89 H new ATOM 0 HG2 LYS A 142 71.371 3.114 8.784 1.00 1.24 H new ATOM 0 HG3 LYS A 142 71.462 1.736 7.705 1.00 1.24 H new ATOM 0 HD2 LYS A 142 73.405 3.437 6.640 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.544 3.756 8.357 1.00 1.26 H new ATOM 0 HE2 LYS A 142 74.397 1.641 8.799 1.00 1.55 H new ATOM 0 HE3 LYS A 142 73.255 0.852 7.728 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 75.512 0.797 6.796 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 74.493 1.729 5.807 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 75.599 2.492 6.845 1.00 1.99 H new ATOM 895 N ASN A 143 70.954 6.921 6.536 1.00 0.85 N ATOM 896 CA ASN A 143 71.815 8.139 6.546 1.00 1.05 C ATOM 897 C ASN A 143 70.943 9.396 6.540 1.00 1.07 C ATOM 898 O ASN A 143 71.432 10.503 6.442 1.00 1.56 O ATOM 899 CB ASN A 143 72.643 8.050 5.263 1.00 1.08 C ATOM 900 CG ASN A 143 71.718 8.137 4.048 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.511 8.117 4.186 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.237 8.234 2.855 1.00 1.48 N ATOM 0 H ASN A 143 70.250 6.893 5.799 1.00 0.85 H new ATOM 0 HA ASN A 143 72.447 8.194 7.432 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.375 8.857 5.234 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.200 7.113 5.242 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.629 8.293 2.038 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.250 8.251 2.739 1.00 1.48 H new ATOM 909 N ASN A 144 69.653 9.231 6.648 1.00 0.78 N ATOM 910 CA ASN A 144 68.746 10.412 6.652 1.00 0.82 C ATOM 911 C ASN A 144 69.152 11.398 5.553 1.00 0.82 C ATOM 912 O ASN A 144 69.675 12.461 5.822 1.00 0.92 O ATOM 913 CB ASN A 144 68.927 11.043 8.033 1.00 0.95 C ATOM 914 CG ASN A 144 68.882 9.950 9.103 1.00 1.47 C ATOM 915 OD1 ASN A 144 69.875 9.670 9.743 1.00 2.28 O ATOM 916 ND2 ASN A 144 67.763 9.316 9.325 1.00 1.93 N ATOM 0 H ASN A 144 69.188 8.327 6.734 1.00 0.78 H new ATOM 0 HA ASN A 144 67.709 10.137 6.461 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.878 11.574 8.080 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.142 11.777 8.215 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.723 8.586 10.036 1.00 1.93 H new ATOM 0 HD22 ASN A 144 66.928 9.551 8.788 1.00 1.93 H new ATOM 923 N ASP A 145 68.913 11.055 4.316 1.00 0.75 N ATOM 924 CA ASP A 145 69.286 11.975 3.203 1.00 0.78 C ATOM 925 C ASP A 145 68.044 12.361 2.395 1.00 0.74 C ATOM 926 O ASP A 145 68.056 13.308 1.635 1.00 0.81 O ATOM 927 CB ASP A 145 70.263 11.178 2.339 1.00 0.76 C ATOM 928 CG ASP A 145 69.501 10.098 1.569 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.525 9.595 2.102 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.907 9.791 0.460 1.00 1.85 O ATOM 0 H ASP A 145 68.476 10.179 4.028 1.00 0.75 H new ATOM 0 HA ASP A 145 69.728 12.903 3.566 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.775 11.843 1.643 1.00 0.76 H new ATOM 0 HB3 ASP A 145 71.029 10.721 2.965 1.00 0.76 H new ATOM 935 N GLY A 146 66.972 11.633 2.553 1.00 0.69 N ATOM 936 CA GLY A 146 65.730 11.960 1.793 1.00 0.70 C ATOM 937 C GLY A 146 65.441 10.851 0.780 1.00 0.58 C ATOM 938 O GLY A 146 64.303 10.577 0.454 1.00 0.62 O ATOM 0 H GLY A 146 66.902 10.827 3.174 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.890 12.068 2.479 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.847 12.914 1.279 1.00 0.70 H new ATOM 942 N ARG A 147 66.461 10.212 0.276 1.00 0.54 N ATOM 943 CA ARG A 147 66.239 9.124 -0.719 1.00 0.49 C ATOM 944 C ARG A 147 66.757 7.789 -0.175 1.00 0.44 C ATOM 945 O ARG A 147 67.594 7.748 0.704 1.00 0.56 O ATOM 946 CB ARG A 147 67.041 9.544 -1.951 1.00 0.57 C ATOM 947 CG ARG A 147 66.634 10.957 -2.370 1.00 0.78 C ATOM 948 CD ARG A 147 65.613 10.880 -3.507 1.00 0.73 C ATOM 949 NE ARG A 147 65.759 12.167 -4.243 1.00 1.07 N ATOM 950 CZ ARG A 147 65.574 12.207 -5.535 1.00 1.60 C ATOM 951 NH1 ARG A 147 66.544 11.872 -6.342 1.00 2.32 N ATOM 952 NH2 ARG A 147 64.421 12.579 -6.019 1.00 2.22 N ATOM 0 H ARG A 147 67.437 10.395 0.509 1.00 0.54 H new ATOM 0 HA ARG A 147 65.182 8.985 -0.945 1.00 0.49 H new ATOM 0 HB2 ARG A 147 68.108 9.512 -1.731 1.00 0.57 H new ATOM 0 HB3 ARG A 147 66.863 8.846 -2.769 1.00 0.57 H new ATOM 0 HG2 ARG A 147 66.208 11.491 -1.520 1.00 0.78 H new ATOM 0 HG3 ARG A 147 67.511 11.519 -2.692 1.00 0.78 H new ATOM 0 HD2 ARG A 147 65.810 10.028 -4.158 1.00 0.73 H new ATOM 0 HD3 ARG A 147 64.601 10.758 -3.121 1.00 0.73 H new ATOM 0 HE ARG A 147 66.004 13.018 -3.737 1.00 1.07 H new ATOM 0 HH11 ARG A 147 67.445 11.580 -5.963 1.00 2.32 H new ATOM 0 HH12 ARG A 147 66.401 11.903 -7.351 1.00 2.32 H new ATOM 0 HH21 ARG A 147 63.663 12.839 -5.388 1.00 2.22 H new ATOM 0 HH22 ARG A 147 64.278 12.610 -7.028 1.00 2.22 H new ATOM 966 N ILE A 148 66.268 6.699 -0.699 1.00 0.35 N ATOM 967 CA ILE A 148 66.733 5.364 -0.224 1.00 0.36 C ATOM 968 C ILE A 148 67.347 4.590 -1.395 1.00 0.40 C ATOM 969 O ILE A 148 66.861 4.641 -2.507 1.00 0.41 O ATOM 970 CB ILE A 148 65.471 4.668 0.301 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.209 5.118 1.740 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.661 3.148 0.273 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.133 4.230 2.369 1.00 0.40 C ATOM 0 H ILE A 148 65.565 6.675 -1.437 1.00 0.35 H new ATOM 0 HA ILE A 148 67.499 5.431 0.549 1.00 0.36 H new ATOM 0 HB ILE A 148 64.624 4.935 -0.332 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.128 5.060 2.323 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.888 6.160 1.753 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.760 2.662 0.647 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.850 2.824 -0.750 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.508 2.876 0.902 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.948 4.553 3.394 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.212 4.310 1.792 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.471 3.194 2.370 1.00 0.40 H new ATOM 985 N ASP A 149 68.413 3.879 -1.155 1.00 0.47 N ATOM 986 CA ASP A 149 69.054 3.110 -2.261 1.00 0.55 C ATOM 987 C ASP A 149 69.003 1.608 -1.970 1.00 0.58 C ATOM 988 O ASP A 149 68.268 1.155 -1.116 1.00 0.54 O ATOM 989 CB ASP A 149 70.505 3.601 -2.311 1.00 0.65 C ATOM 990 CG ASP A 149 71.040 3.801 -0.891 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.556 2.847 -0.334 1.00 2.16 O ATOM 992 OD2 ASP A 149 70.924 4.906 -0.386 1.00 2.00 O ATOM 0 H ASP A 149 68.867 3.796 -0.246 1.00 0.47 H new ATOM 0 HA ASP A 149 68.543 3.264 -3.211 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.124 2.878 -2.843 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.561 4.538 -2.865 1.00 0.65 H new ATOM 997 N TYR A 150 69.775 0.833 -2.682 1.00 0.67 N ATOM 998 CA TYR A 150 69.770 -0.642 -2.459 1.00 0.73 C ATOM 999 C TYR A 150 70.365 -0.986 -1.090 1.00 0.75 C ATOM 1000 O TYR A 150 70.371 -2.129 -0.678 1.00 0.76 O ATOM 1001 CB TYR A 150 70.645 -1.208 -3.579 1.00 0.84 C ATOM 1002 CG TYR A 150 69.897 -2.302 -4.301 1.00 0.97 C ATOM 1003 CD1 TYR A 150 69.279 -3.326 -3.575 1.00 1.74 C ATOM 1004 CD2 TYR A 150 69.822 -2.290 -5.700 1.00 1.63 C ATOM 1005 CE1 TYR A 150 68.586 -4.340 -4.248 1.00 2.14 C ATOM 1006 CE2 TYR A 150 69.128 -3.303 -6.371 1.00 2.06 C ATOM 1007 CZ TYR A 150 68.511 -4.328 -5.645 1.00 2.02 C ATOM 1008 OH TYR A 150 67.828 -5.328 -6.308 1.00 2.63 O ATOM 0 H TYR A 150 70.411 1.158 -3.410 1.00 0.67 H new ATOM 0 HA TYR A 150 68.761 -1.055 -2.472 1.00 0.73 H new ATOM 0 HB2 TYR A 150 70.916 -0.417 -4.278 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.574 -1.600 -3.166 1.00 0.84 H new ATOM 0 HD1 TYR A 150 69.336 -3.334 -2.497 1.00 1.74 H new ATOM 0 HD2 TYR A 150 70.299 -1.500 -6.260 1.00 1.63 H new ATOM 0 HE1 TYR A 150 68.109 -5.131 -3.688 1.00 2.14 H new ATOM 0 HE2 TYR A 150 69.069 -3.294 -7.449 1.00 2.06 H new ATOM 0 HH TYR A 150 68.466 -5.898 -6.786 1.00 2.63 H new ATOM 1018 N ASP A 151 70.868 -0.013 -0.382 1.00 0.78 N ATOM 1019 CA ASP A 151 71.461 -0.299 0.956 1.00 0.82 C ATOM 1020 C ASP A 151 70.507 0.137 2.072 1.00 0.74 C ATOM 1021 O ASP A 151 70.279 -0.585 3.023 1.00 0.76 O ATOM 1022 CB ASP A 151 72.751 0.522 0.999 1.00 0.87 C ATOM 1023 CG ASP A 151 73.956 -0.417 0.914 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.961 -1.265 0.037 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.854 -0.271 1.727 1.00 2.08 O ATOM 0 H ASP A 151 70.895 0.965 -0.670 1.00 0.78 H new ATOM 0 HA ASP A 151 71.647 -1.363 1.104 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.771 1.232 0.172 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.794 1.104 1.920 1.00 0.87 H new ATOM 1030 N GLU A 152 69.951 1.314 1.970 1.00 0.67 N ATOM 1031 CA GLU A 152 69.016 1.791 3.032 1.00 0.61 C ATOM 1032 C GLU A 152 67.680 1.048 2.939 1.00 0.58 C ATOM 1033 O GLU A 152 66.987 0.875 3.922 1.00 0.58 O ATOM 1034 CB GLU A 152 68.822 3.282 2.752 1.00 0.59 C ATOM 1035 CG GLU A 152 70.174 3.925 2.438 1.00 0.76 C ATOM 1036 CD GLU A 152 70.172 5.377 2.916 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.306 5.721 3.702 1.00 1.20 O ATOM 1038 OE2 GLU A 152 71.039 6.121 2.487 1.00 1.39 O ATOM 0 H GLU A 152 70.103 1.965 1.200 1.00 0.67 H new ATOM 0 HA GLU A 152 69.407 1.612 4.034 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.139 3.419 1.914 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.368 3.769 3.615 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.975 3.371 2.928 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.368 3.884 1.366 1.00 0.76 H new ATOM 1045 N PHE A 153 67.312 0.606 1.767 1.00 0.60 N ATOM 1046 CA PHE A 153 66.019 -0.125 1.622 1.00 0.61 C ATOM 1047 C PHE A 153 66.151 -1.546 2.172 1.00 0.66 C ATOM 1048 O PHE A 153 65.215 -2.103 2.711 1.00 0.71 O ATOM 1049 CB PHE A 153 65.745 -0.154 0.119 1.00 0.64 C ATOM 1050 CG PHE A 153 64.481 -0.934 -0.146 1.00 0.68 C ATOM 1051 CD1 PHE A 153 63.244 -0.277 -0.165 1.00 1.47 C ATOM 1052 CD2 PHE A 153 64.544 -2.314 -0.374 1.00 1.18 C ATOM 1053 CE1 PHE A 153 62.071 -1.000 -0.410 1.00 1.55 C ATOM 1054 CE2 PHE A 153 63.370 -3.037 -0.619 1.00 1.24 C ATOM 1055 CZ PHE A 153 62.134 -2.380 -0.636 1.00 0.93 C ATOM 0 H PHE A 153 67.848 0.718 0.906 1.00 0.60 H new ATOM 0 HA PHE A 153 65.210 0.354 2.173 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.645 0.862 -0.263 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.584 -0.611 -0.406 1.00 0.64 H new ATOM 0 HD1 PHE A 153 63.195 0.788 0.009 1.00 1.47 H new ATOM 0 HD2 PHE A 153 65.498 -2.821 -0.361 1.00 1.18 H new ATOM 0 HE1 PHE A 153 61.117 -0.493 -0.425 1.00 1.55 H new ATOM 0 HE2 PHE A 153 63.418 -4.102 -0.795 1.00 1.24 H new ATOM 0 HZ PHE A 153 61.229 -2.938 -0.824 1.00 0.93 H new ATOM 1065 N LEU A 154 67.307 -2.139 2.042 1.00 0.72 N ATOM 1066 CA LEU A 154 67.495 -3.523 2.563 1.00 0.80 C ATOM 1067 C LEU A 154 67.182 -3.564 4.060 1.00 0.79 C ATOM 1068 O LEU A 154 66.230 -4.187 4.488 1.00 0.82 O ATOM 1069 CB LEU A 154 68.969 -3.844 2.311 1.00 0.92 C ATOM 1070 CG LEU A 154 69.081 -4.887 1.199 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.207 -6.095 1.540 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.608 -4.277 -0.121 1.00 1.54 C ATOM 0 H LEU A 154 68.127 -1.726 1.599 1.00 0.72 H new ATOM 0 HA LEU A 154 66.836 -4.244 2.079 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.506 -2.938 2.030 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.432 -4.219 3.224 1.00 0.92 H new ATOM 0 HG LEU A 154 70.120 -5.204 1.104 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.288 -6.838 0.747 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.541 -6.532 2.481 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.169 -5.777 1.636 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.688 -5.020 -0.914 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.570 -3.960 -0.024 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.229 -3.416 -0.367 1.00 1.54 H new ATOM 1084 N GLU A 155 67.972 -2.901 4.859 1.00 0.79 N ATOM 1085 CA GLU A 155 67.714 -2.899 6.328 1.00 0.82 C ATOM 1086 C GLU A 155 66.284 -2.428 6.606 1.00 0.81 C ATOM 1087 O GLU A 155 65.598 -2.960 7.456 1.00 0.90 O ATOM 1088 CB GLU A 155 68.729 -1.911 6.906 1.00 0.85 C ATOM 1089 CG GLU A 155 68.857 -2.133 8.415 1.00 0.95 C ATOM 1090 CD GLU A 155 69.709 -3.377 8.676 1.00 1.67 C ATOM 1091 OE1 GLU A 155 70.055 -4.046 7.717 1.00 2.47 O ATOM 1092 OE2 GLU A 155 70.001 -3.639 9.832 1.00 2.27 O ATOM 0 H GLU A 155 68.784 -2.361 4.560 1.00 0.79 H new ATOM 0 HA GLU A 155 67.816 -3.890 6.771 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.698 -2.045 6.425 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.412 -0.888 6.704 1.00 0.85 H new ATOM 0 HG2 GLU A 155 69.313 -1.261 8.884 1.00 0.95 H new ATOM 0 HG3 GLU A 155 67.870 -2.255 8.861 1.00 0.95 H new ATOM 1099 N PHE A 156 65.829 -1.435 5.891 1.00 0.75 N ATOM 1100 CA PHE A 156 64.444 -0.928 6.107 1.00 0.78 C ATOM 1101 C PHE A 156 63.474 -2.101 6.282 1.00 0.84 C ATOM 1102 O PHE A 156 62.877 -2.275 7.326 1.00 0.90 O ATOM 1103 CB PHE A 156 64.111 -0.144 4.835 1.00 0.78 C ATOM 1104 CG PHE A 156 62.932 0.773 5.079 1.00 0.85 C ATOM 1105 CD1 PHE A 156 62.154 0.638 6.239 1.00 1.66 C ATOM 1106 CD2 PHE A 156 62.615 1.761 4.140 1.00 1.27 C ATOM 1107 CE1 PHE A 156 61.065 1.489 6.455 1.00 1.77 C ATOM 1108 CE2 PHE A 156 61.525 2.612 4.357 1.00 1.31 C ATOM 1109 CZ PHE A 156 60.750 2.476 5.515 1.00 1.10 C ATOM 0 H PHE A 156 66.358 -0.952 5.165 1.00 0.75 H new ATOM 0 HA PHE A 156 64.362 -0.311 7.002 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.977 0.440 4.522 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.882 -0.834 4.023 1.00 0.78 H new ATOM 0 HD1 PHE A 156 62.396 -0.123 6.966 1.00 1.66 H new ATOM 0 HD2 PHE A 156 63.212 1.867 3.246 1.00 1.27 H new ATOM 0 HE1 PHE A 156 60.467 1.384 7.348 1.00 1.77 H new ATOM 0 HE2 PHE A 156 61.282 3.374 3.631 1.00 1.31 H new ATOM 0 HZ PHE A 156 59.909 3.133 5.683 1.00 1.10 H new ATOM 1119 N MET A 157 63.311 -2.906 5.267 1.00 0.86 N ATOM 1120 CA MET A 157 62.377 -4.065 5.377 1.00 0.95 C ATOM 1121 C MET A 157 62.969 -5.143 6.290 1.00 0.99 C ATOM 1122 O MET A 157 62.264 -5.992 6.799 1.00 1.12 O ATOM 1123 CB MET A 157 62.231 -4.595 3.949 1.00 0.99 C ATOM 1124 CG MET A 157 60.832 -4.269 3.425 1.00 1.28 C ATOM 1125 SD MET A 157 60.904 -3.999 1.638 1.00 1.48 S ATOM 1126 CE MET A 157 60.402 -2.260 1.654 1.00 1.12 C ATOM 0 H MET A 157 63.783 -2.812 4.368 1.00 0.86 H new ATOM 0 HA MET A 157 61.417 -3.779 5.807 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.986 -4.146 3.304 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.396 -5.672 3.931 1.00 0.99 H new ATOM 0 HG2 MET A 157 60.147 -5.086 3.653 1.00 1.28 H new ATOM 0 HG3 MET A 157 60.444 -3.380 3.922 1.00 1.28 H new ATOM 0 HE1 MET A 157 59.987 -1.992 0.682 1.00 1.12 H new ATOM 0 HE2 MET A 157 59.648 -2.106 2.426 1.00 1.12 H new ATOM 0 HE3 MET A 157 61.269 -1.633 1.864 1.00 1.12 H new ATOM 1136 N LYS A 158 64.256 -5.117 6.499 1.00 0.94 N ATOM 1137 CA LYS A 158 64.888 -6.143 7.378 1.00 1.02 C ATOM 1138 C LYS A 158 64.770 -5.728 8.846 1.00 1.05 C ATOM 1139 O LYS A 158 65.350 -6.337 9.723 1.00 1.20 O ATOM 1140 CB LYS A 158 66.354 -6.182 6.951 1.00 1.07 C ATOM 1141 CG LYS A 158 66.946 -7.551 7.291 1.00 1.26 C ATOM 1142 CD LYS A 158 68.276 -7.730 6.557 1.00 1.53 C ATOM 1143 CE LYS A 158 68.236 -9.024 5.741 1.00 1.45 C ATOM 1144 NZ LYS A 158 68.659 -8.624 4.370 1.00 2.07 N ATOM 0 H LYS A 158 64.897 -4.431 6.100 1.00 0.94 H new ATOM 0 HA LYS A 158 64.409 -7.118 7.283 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.438 -5.993 5.881 1.00 1.07 H new ATOM 0 HB3 LYS A 158 66.913 -5.396 7.458 1.00 1.07 H new ATOM 0 HG2 LYS A 158 67.098 -7.636 8.367 1.00 1.26 H new ATOM 0 HG3 LYS A 158 66.251 -8.341 7.004 1.00 1.26 H new ATOM 0 HD2 LYS A 158 68.459 -6.879 5.901 1.00 1.53 H new ATOM 0 HD3 LYS A 158 69.097 -7.764 7.273 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.907 -9.775 6.158 1.00 1.45 H new ATOM 0 HE3 LYS A 158 67.236 -9.457 5.736 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 68.788 -9.474 3.785 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 67.929 -8.018 3.944 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 69.556 -8.100 4.422 1.00 2.07 H new