USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 590 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 96 HIS : no HD1:sc= 0.893 K(o=3.1,f=-1.1) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -0.307 K(o=3.1,f=2.4) USER MOD Set 1.3: A 124 SER OG : rot 179:sc= 1.83 USER MOD Set 1.4: A 144 SER OG : rot -99:sc= 0.706 USER MOD Single : A 105 SER OG : rot -176:sc= 1.16 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0445 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl -176:sc= 0 (180deg=-0.0237) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= 0.5 X(o=0.5,f=0.17) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 ASN : amide:sc= -0.0285 X(o=-0.029,f=-0.0099) USER MOD Single : A 156 GLN : amide:sc= -0.937 K(o=-0.94,f=-0.0052) USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 158 MET CE :methyl -158:sc= -0.415 (180deg=-1.14) USER MOD Single : A 161 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.025) USER MOD Single : A 167 GLN : amide:sc= 0.74 K(o=0.74,f=0) USER MOD Single : A 170 THR OG1 : rot 135:sc= 1.02 USER MOD Single : A 171 ASN : amide:sc= 0.0356 X(o=0.036,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 1.728 13.218 -6.426 1.00 0.00 N ATOM 179 CA HIS A 96 0.970 12.055 -6.854 1.00 0.00 C ATOM 180 C HIS A 96 -0.178 11.792 -5.880 1.00 0.00 C ATOM 181 O HIS A 96 -0.209 12.352 -4.780 1.00 0.00 O ATOM 182 CB HIS A 96 1.909 10.848 -6.974 1.00 0.00 C ATOM 183 CG HIS A 96 2.930 10.925 -8.090 1.00 0.00 C ATOM 184 ND1 HIS A 96 3.996 10.038 -8.247 1.00 0.00 N ATOM 185 CD2 HIS A 96 2.920 11.781 -9.156 1.00 0.00 C ATOM 186 CE1 HIS A 96 4.582 10.359 -9.409 1.00 0.00 C ATOM 187 NE2 HIS A 96 3.950 11.392 -9.981 1.00 0.00 N ATOM 0 HA HIS A 96 0.530 12.237 -7.835 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.438 10.726 -6.029 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.305 9.953 -7.119 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.237 12.602 -9.319 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.442 9.856 -9.825 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.191 11.818 -10.876 1.00 0.00 H new ATOM 195 N PHE A 97 -1.133 10.953 -6.286 1.00 0.00 N ATOM 196 CA PHE A 97 -2.289 10.589 -5.481 1.00 0.00 C ATOM 197 C PHE A 97 -2.094 9.151 -5.019 1.00 0.00 C ATOM 198 O PHE A 97 -2.102 8.248 -5.856 1.00 0.00 O ATOM 199 CB PHE A 97 -3.580 10.771 -6.289 1.00 0.00 C ATOM 200 CG PHE A 97 -3.832 12.213 -6.682 1.00 0.00 C ATOM 201 CD1 PHE A 97 -4.293 13.142 -5.730 1.00 0.00 C ATOM 202 CD2 PHE A 97 -3.574 12.637 -7.996 1.00 0.00 C ATOM 203 CE1 PHE A 97 -4.483 14.487 -6.088 1.00 0.00 C ATOM 204 CE2 PHE A 97 -3.790 13.974 -8.362 1.00 0.00 C ATOM 205 CZ PHE A 97 -4.247 14.900 -7.409 1.00 0.00 C ATOM 0 H PHE A 97 -1.120 10.502 -7.201 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.380 11.236 -4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.529 10.158 -7.189 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.424 10.407 -5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.501 12.819 -4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.208 11.931 -8.727 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.810 15.202 -5.348 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.605 14.292 -9.377 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.417 15.928 -7.692 1.00 0.00 H new ATOM 215 N HIS A 98 -1.897 8.952 -3.712 1.00 0.00 N ATOM 216 CA HIS A 98 -1.688 7.628 -3.130 1.00 0.00 C ATOM 217 C HIS A 98 -3.014 7.005 -2.683 1.00 0.00 C ATOM 218 O HIS A 98 -3.914 7.713 -2.207 1.00 0.00 O ATOM 219 CB HIS A 98 -0.685 7.674 -1.973 1.00 0.00 C ATOM 220 CG HIS A 98 0.606 8.368 -2.306 1.00 0.00 C ATOM 221 ND1 HIS A 98 1.745 7.751 -2.809 1.00 0.00 N ATOM 222 CD2 HIS A 98 0.821 9.710 -2.219 1.00 0.00 C ATOM 223 CE1 HIS A 98 2.598 8.750 -3.092 1.00 0.00 C ATOM 224 NE2 HIS A 98 2.084 9.935 -2.716 1.00 0.00 N ATOM 0 H HIS A 98 -1.878 9.709 -3.028 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.264 6.993 -3.908 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.148 8.179 -1.125 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -0.466 6.654 -1.656 1.00 0.00 H new ATOM 0 HD2 HIS A 98 0.135 10.451 -1.836 1.00 0.00 H new ATOM 0 HE1 HIS A 98 3.564 8.619 -3.557 1.00 0.00 H new ATOM 0 HE2 HIS A 98 2.549 10.840 -2.787 1.00 0.00 H new ATOM 232 N VAL A 99 -3.090 5.681 -2.751 1.00 0.00 N ATOM 233 CA VAL A 99 -4.206 4.810 -2.425 1.00 0.00 C ATOM 234 C VAL A 99 -3.723 3.706 -1.488 1.00 0.00 C ATOM 235 O VAL A 99 -2.592 3.238 -1.597 1.00 0.00 O ATOM 236 CB VAL A 99 -4.721 4.175 -3.739 1.00 0.00 C ATOM 237 CG1 VAL A 99 -5.846 3.150 -3.545 1.00 0.00 C ATOM 238 CG2 VAL A 99 -5.220 5.255 -4.703 1.00 0.00 C ATOM 0 H VAL A 99 -2.287 5.138 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.001 5.375 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.861 3.645 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.148 2.754 -4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.491 2.335 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.699 3.632 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.578 4.787 -5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.034 5.810 -4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.404 5.938 -4.938 1.00 0.00 H new ATOM 248 N PHE A 100 -4.563 3.374 -0.518 1.00 0.00 N ATOM 249 CA PHE A 100 -4.425 2.343 0.490 1.00 0.00 C ATOM 250 C PHE A 100 -5.075 1.081 -0.063 1.00 0.00 C ATOM 251 O PHE A 100 -6.134 1.161 -0.691 1.00 0.00 O ATOM 252 CB PHE A 100 -5.162 2.790 1.771 1.00 0.00 C ATOM 253 CG PHE A 100 -5.566 1.645 2.687 1.00 0.00 C ATOM 254 CD1 PHE A 100 -4.676 1.046 3.598 1.00 0.00 C ATOM 255 CD2 PHE A 100 -6.861 1.109 2.538 1.00 0.00 C ATOM 256 CE1 PHE A 100 -5.084 -0.087 4.334 1.00 0.00 C ATOM 257 CE2 PHE A 100 -7.264 -0.019 3.265 1.00 0.00 C ATOM 258 CZ PHE A 100 -6.371 -0.633 4.156 1.00 0.00 C ATOM 0 H PHE A 100 -5.446 3.873 -0.411 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.377 2.162 0.730 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.521 3.476 2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.055 3.347 1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.684 1.452 3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.554 1.575 1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.404 -0.540 5.040 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.261 -0.415 3.140 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.667 -1.517 4.701 1.00 0.00 H new ATOM 268 N VAL A 101 -4.462 -0.069 0.201 1.00 0.00 N ATOM 269 CA VAL A 101 -4.931 -1.378 -0.202 1.00 0.00 C ATOM 270 C VAL A 101 -4.749 -2.269 1.030 1.00 0.00 C ATOM 271 O VAL A 101 -3.771 -2.113 1.769 1.00 0.00 O ATOM 272 CB VAL A 101 -4.161 -1.904 -1.432 1.00 0.00 C ATOM 273 CG1 VAL A 101 -4.952 -3.062 -2.054 1.00 0.00 C ATOM 274 CG2 VAL A 101 -3.913 -0.837 -2.513 1.00 0.00 C ATOM 0 H VAL A 101 -3.588 -0.109 0.725 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.974 -1.358 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.182 -2.224 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.417 -3.442 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.065 -3.861 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.936 -2.708 -2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.367 -1.282 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.868 -0.452 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.328 -0.020 -2.091 1.00 0.00 H new ATOM 284 N GLY A 102 -5.665 -3.203 1.275 1.00 0.00 N ATOM 285 CA GLY A 102 -5.587 -4.104 2.417 1.00 0.00 C ATOM 286 C GLY A 102 -6.258 -5.434 2.110 1.00 0.00 C ATOM 287 O GLY A 102 -6.725 -5.653 0.990 1.00 0.00 O ATOM 0 H GLY A 102 -6.483 -3.355 0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.543 -4.272 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.064 -3.643 3.282 1.00 0.00 H new ATOM 291 N ASP A 103 -6.304 -6.295 3.129 1.00 0.00 N ATOM 292 CA ASP A 103 -6.885 -7.646 3.130 1.00 0.00 C ATOM 293 C ASP A 103 -6.150 -8.620 2.195 1.00 0.00 C ATOM 294 O ASP A 103 -6.634 -9.711 1.898 1.00 0.00 O ATOM 295 CB ASP A 103 -8.400 -7.583 2.842 1.00 0.00 C ATOM 296 CG ASP A 103 -9.204 -8.325 3.900 1.00 0.00 C ATOM 297 OD1 ASP A 103 -8.930 -9.510 4.200 1.00 0.00 O ATOM 298 OD2 ASP A 103 -10.038 -7.654 4.550 1.00 0.00 O ATOM 0 H ASP A 103 -5.910 -6.054 4.039 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.749 -8.056 4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.721 -6.542 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.603 -8.014 1.862 1.00 0.00 H new ATOM 303 N LEU A 104 -4.954 -8.225 1.752 1.00 0.00 N ATOM 304 CA LEU A 104 -4.094 -8.956 0.830 1.00 0.00 C ATOM 305 C LEU A 104 -3.635 -10.295 1.400 1.00 0.00 C ATOM 306 O LEU A 104 -3.232 -10.347 2.569 1.00 0.00 O ATOM 307 CB LEU A 104 -2.828 -8.120 0.531 1.00 0.00 C ATOM 308 CG LEU A 104 -3.072 -6.645 0.138 1.00 0.00 C ATOM 309 CD1 LEU A 104 -1.767 -5.850 0.106 1.00 0.00 C ATOM 310 CD2 LEU A 104 -3.720 -6.568 -1.240 1.00 0.00 C ATOM 0 H LEU A 104 -4.541 -7.339 2.045 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.681 -9.138 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.186 -8.140 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.278 -8.605 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.731 -6.214 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.977 -4.818 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.304 -5.872 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.089 -6.293 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.887 -5.524 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.063 -7.030 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.674 -7.095 -1.223 1.00 0.00 H new ATOM 322 N SER A 105 -3.643 -11.360 0.597 1.00 0.00 N ATOM 323 CA SER A 105 -3.166 -12.665 1.049 1.00 0.00 C ATOM 324 C SER A 105 -1.665 -12.469 1.374 1.00 0.00 C ATOM 325 O SER A 105 -0.990 -11.715 0.661 1.00 0.00 O ATOM 326 CB SER A 105 -3.420 -13.719 -0.041 1.00 0.00 C ATOM 327 OG SER A 105 -2.929 -14.982 0.355 1.00 0.00 O ATOM 0 H SER A 105 -3.974 -11.343 -0.368 1.00 0.00 H new ATOM 0 HA SER A 105 -3.689 -13.030 1.933 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.489 -13.787 -0.244 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.938 -13.412 -0.969 1.00 0.00 H new ATOM 0 HG SER A 105 -3.048 -15.623 -0.376 1.00 0.00 H new ATOM 333 N PRO A 106 -1.083 -13.106 2.410 1.00 0.00 N ATOM 334 CA PRO A 106 0.326 -12.921 2.765 1.00 0.00 C ATOM 335 C PRO A 106 1.321 -13.331 1.672 1.00 0.00 C ATOM 336 O PRO A 106 2.498 -12.977 1.765 1.00 0.00 O ATOM 337 CB PRO A 106 0.540 -13.700 4.065 1.00 0.00 C ATOM 338 CG PRO A 106 -0.576 -14.736 4.062 1.00 0.00 C ATOM 339 CD PRO A 106 -1.717 -14.028 3.336 1.00 0.00 C ATOM 0 HA PRO A 106 0.530 -11.858 2.889 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.522 -14.172 4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.477 -13.048 4.936 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.276 -15.648 3.545 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.861 -15.022 5.074 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.347 -14.743 2.807 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.359 -13.497 4.039 1.00 0.00 H new ATOM 347 N GLU A 107 0.897 -14.066 0.648 1.00 0.00 N ATOM 348 CA GLU A 107 1.763 -14.490 -0.448 1.00 0.00 C ATOM 349 C GLU A 107 1.944 -13.376 -1.492 1.00 0.00 C ATOM 350 O GLU A 107 2.989 -13.334 -2.141 1.00 0.00 O ATOM 351 CB GLU A 107 1.184 -15.767 -1.069 1.00 0.00 C ATOM 352 CG GLU A 107 -0.126 -15.519 -1.837 1.00 0.00 C ATOM 353 CD GLU A 107 -1.134 -16.656 -1.719 1.00 0.00 C ATOM 354 OE1 GLU A 107 -0.756 -17.824 -1.466 1.00 0.00 O ATOM 355 OE2 GLU A 107 -2.342 -16.341 -1.811 1.00 0.00 O ATOM 0 H GLU A 107 -0.067 -14.387 0.555 1.00 0.00 H new ATOM 0 HA GLU A 107 2.759 -14.703 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.919 -16.201 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.004 -16.499 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.584 -14.601 -1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.106 -15.360 -2.890 1.00 0.00 H new ATOM 362 N ILE A 108 0.994 -12.434 -1.576 1.00 0.00 N ATOM 363 CA ILE A 108 0.982 -11.319 -2.521 1.00 0.00 C ATOM 364 C ILE A 108 2.240 -10.470 -2.352 1.00 0.00 C ATOM 365 O ILE A 108 2.728 -10.287 -1.225 1.00 0.00 O ATOM 366 CB ILE A 108 -0.338 -10.512 -2.364 1.00 0.00 C ATOM 367 CG1 ILE A 108 -1.587 -11.376 -2.646 1.00 0.00 C ATOM 368 CG2 ILE A 108 -0.453 -9.238 -3.217 1.00 0.00 C ATOM 369 CD1 ILE A 108 -1.726 -11.855 -4.098 1.00 0.00 C ATOM 0 H ILE A 108 0.181 -12.432 -0.960 1.00 0.00 H new ATOM 0 HA ILE A 108 1.002 -11.691 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.295 -10.201 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.563 -12.247 -1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.475 -10.802 -2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.413 -8.758 -3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.354 -8.552 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.382 -9.499 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.631 -12.453 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.786 -10.992 -4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.860 -12.460 -4.366 1.00 0.00 H new ATOM 381 N THR A 109 2.774 -9.960 -3.460 1.00 0.00 N ATOM 382 CA THR A 109 3.957 -9.119 -3.478 1.00 0.00 C ATOM 383 C THR A 109 3.630 -7.766 -4.121 1.00 0.00 C ATOM 384 O THR A 109 2.511 -7.482 -4.546 1.00 0.00 O ATOM 385 CB THR A 109 5.147 -9.883 -4.097 1.00 0.00 C ATOM 386 OG1 THR A 109 6.336 -9.165 -3.812 1.00 0.00 O ATOM 387 CG2 THR A 109 4.996 -10.113 -5.601 1.00 0.00 C ATOM 0 H THR A 109 2.384 -10.127 -4.388 1.00 0.00 H new ATOM 0 HA THR A 109 4.280 -8.878 -2.465 1.00 0.00 H new ATOM 0 HB THR A 109 5.183 -10.877 -3.651 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.104 -9.637 -4.197 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.865 -10.655 -5.975 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.095 -10.696 -5.791 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.920 -9.152 -6.110 1.00 0.00 H new ATOM 395 N THR A 110 4.630 -6.905 -4.181 1.00 0.00 N ATOM 396 CA THR A 110 4.585 -5.568 -4.732 1.00 0.00 C ATOM 397 C THR A 110 4.127 -5.561 -6.194 1.00 0.00 C ATOM 398 O THR A 110 3.395 -4.674 -6.644 1.00 0.00 O ATOM 399 CB THR A 110 6.024 -5.034 -4.614 1.00 0.00 C ATOM 400 OG1 THR A 110 6.548 -5.260 -3.312 1.00 0.00 O ATOM 401 CG2 THR A 110 6.182 -3.581 -5.033 1.00 0.00 C ATOM 0 H THR A 110 5.555 -7.140 -3.821 1.00 0.00 H new ATOM 0 HA THR A 110 3.865 -4.950 -4.196 1.00 0.00 H new ATOM 0 HB THR A 110 6.612 -5.606 -5.331 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.463 -4.914 -3.263 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.224 -3.281 -4.921 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.882 -3.468 -6.075 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.553 -2.951 -4.404 1.00 0.00 H new ATOM 409 N GLU A 111 4.605 -6.555 -6.930 1.00 0.00 N ATOM 410 CA GLU A 111 4.365 -6.767 -8.342 1.00 0.00 C ATOM 411 C GLU A 111 2.918 -7.146 -8.608 1.00 0.00 C ATOM 412 O GLU A 111 2.364 -6.662 -9.594 1.00 0.00 O ATOM 413 CB GLU A 111 5.331 -7.841 -8.852 1.00 0.00 C ATOM 414 CG GLU A 111 6.737 -7.609 -8.293 1.00 0.00 C ATOM 415 CD GLU A 111 7.790 -8.463 -8.976 1.00 0.00 C ATOM 416 OE1 GLU A 111 7.900 -9.660 -8.622 1.00 0.00 O ATOM 417 OE2 GLU A 111 8.600 -7.869 -9.729 1.00 0.00 O ATOM 0 H GLU A 111 5.206 -7.275 -6.529 1.00 0.00 H new ATOM 0 HA GLU A 111 4.545 -5.838 -8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 111 4.975 -8.828 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.359 -7.825 -9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.999 -6.557 -8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.738 -7.824 -7.224 1.00 0.00 H new ATOM 424 N ASP A 112 2.302 -7.943 -7.724 1.00 0.00 N ATOM 425 CA ASP A 112 0.914 -8.367 -7.852 1.00 0.00 C ATOM 426 C ASP A 112 0.039 -7.132 -7.832 1.00 0.00 C ATOM 427 O ASP A 112 -0.812 -6.928 -8.693 1.00 0.00 O ATOM 428 CB ASP A 112 0.511 -9.244 -6.675 1.00 0.00 C ATOM 429 CG ASP A 112 1.067 -10.659 -6.763 1.00 0.00 C ATOM 430 OD1 ASP A 112 1.049 -11.253 -7.860 1.00 0.00 O ATOM 431 OD2 ASP A 112 1.643 -11.115 -5.752 1.00 0.00 O ATOM 0 H ASP A 112 2.765 -8.312 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 112 0.798 -8.929 -8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 112 0.857 -8.782 -5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.577 -9.291 -6.621 1.00 0.00 H new ATOM 436 N ILE A 113 0.284 -6.285 -6.830 1.00 0.00 N ATOM 437 CA ILE A 113 -0.441 -5.050 -6.659 1.00 0.00 C ATOM 438 C ILE A 113 -0.272 -4.219 -7.938 1.00 0.00 C ATOM 439 O ILE A 113 -1.267 -3.772 -8.505 1.00 0.00 O ATOM 440 CB ILE A 113 0.044 -4.322 -5.397 1.00 0.00 C ATOM 441 CG1 ILE A 113 -0.191 -5.157 -4.124 1.00 0.00 C ATOM 442 CG2 ILE A 113 -0.709 -2.999 -5.326 1.00 0.00 C ATOM 443 CD1 ILE A 113 0.190 -4.424 -2.833 1.00 0.00 C ATOM 0 H ILE A 113 0.996 -6.448 -6.118 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.505 -5.233 -6.510 1.00 0.00 H new ATOM 0 HB ILE A 113 1.120 -4.157 -5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.242 -5.441 -4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.386 -6.079 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.393 -2.448 -4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.493 -2.409 -6.217 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.780 -3.193 -5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.002 -5.071 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.248 -4.163 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.405 -3.515 -2.741 1.00 0.00 H new ATOM 455 N LYS A 114 0.965 -3.992 -8.404 1.00 0.00 N ATOM 456 CA LYS A 114 1.164 -3.219 -9.624 1.00 0.00 C ATOM 457 C LYS A 114 0.356 -3.800 -10.783 1.00 0.00 C ATOM 458 O LYS A 114 -0.303 -3.038 -11.471 1.00 0.00 O ATOM 459 CB LYS A 114 2.651 -3.120 -9.984 1.00 0.00 C ATOM 460 CG LYS A 114 3.268 -1.864 -9.358 1.00 0.00 C ATOM 461 CD LYS A 114 4.782 -1.830 -9.582 1.00 0.00 C ATOM 462 CE LYS A 114 5.507 -2.538 -8.443 1.00 0.00 C ATOM 463 NZ LYS A 114 6.978 -2.527 -8.618 1.00 0.00 N ATOM 0 H LYS A 114 1.821 -4.327 -7.962 1.00 0.00 H new ATOM 0 HA LYS A 114 0.800 -2.209 -9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.177 -4.007 -9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.769 -3.090 -11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.812 -0.975 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.054 -1.842 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.026 -2.310 -10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.122 -0.797 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.252 -2.057 -7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.159 -3.569 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.426 -3.020 -7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.226 -3.009 -9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.316 -1.544 -8.652 1.00 0.00 H new ATOM 477 N ALA A 115 0.385 -5.116 -11.000 1.00 0.00 N ATOM 478 CA ALA A 115 -0.351 -5.761 -12.089 1.00 0.00 C ATOM 479 C ALA A 115 -1.852 -5.493 -11.994 1.00 0.00 C ATOM 480 O ALA A 115 -2.505 -5.250 -13.008 1.00 0.00 O ATOM 481 CB ALA A 115 -0.101 -7.275 -12.078 1.00 0.00 C ATOM 0 H ALA A 115 0.921 -5.766 -10.424 1.00 0.00 H new ATOM 0 HA ALA A 115 0.013 -5.335 -13.024 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.655 -7.741 -12.893 1.00 0.00 H new ATOM 0 HB2 ALA A 115 0.964 -7.469 -12.205 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.435 -7.692 -11.128 1.00 0.00 H new ATOM 487 N ALA A 116 -2.385 -5.520 -10.775 1.00 0.00 N ATOM 488 CA ALA A 116 -3.784 -5.305 -10.480 1.00 0.00 C ATOM 489 C ALA A 116 -4.268 -3.895 -10.802 1.00 0.00 C ATOM 490 O ALA A 116 -5.272 -3.741 -11.495 1.00 0.00 O ATOM 491 CB ALA A 116 -4.006 -5.593 -9.005 1.00 0.00 C ATOM 0 H ALA A 116 -1.827 -5.700 -9.940 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.361 -5.976 -11.116 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -5.056 -5.437 -8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.732 -6.626 -8.791 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.389 -4.923 -8.407 1.00 0.00 H new ATOM 497 N PHE A 117 -3.576 -2.880 -10.276 1.00 0.00 N ATOM 498 CA PHE A 117 -3.914 -1.477 -10.450 1.00 0.00 C ATOM 499 C PHE A 117 -3.375 -0.844 -11.743 1.00 0.00 C ATOM 500 O PHE A 117 -3.860 0.216 -12.128 1.00 0.00 O ATOM 501 CB PHE A 117 -3.428 -0.730 -9.200 1.00 0.00 C ATOM 502 CG PHE A 117 -4.226 -1.030 -7.945 1.00 0.00 C ATOM 503 CD1 PHE A 117 -5.351 -0.250 -7.636 1.00 0.00 C ATOM 504 CD2 PHE A 117 -3.851 -2.070 -7.076 1.00 0.00 C ATOM 505 CE1 PHE A 117 -6.087 -0.483 -6.459 1.00 0.00 C ATOM 506 CE2 PHE A 117 -4.575 -2.298 -5.894 1.00 0.00 C ATOM 507 CZ PHE A 117 -5.699 -1.514 -5.586 1.00 0.00 C ATOM 0 H PHE A 117 -2.744 -3.023 -9.703 1.00 0.00 H new ATOM 0 HA PHE A 117 -4.995 -1.397 -10.562 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.383 -0.985 -9.022 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.466 0.342 -9.394 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -5.656 0.538 -8.309 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.004 -2.695 -7.318 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.947 0.128 -6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.265 -3.081 -5.218 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.262 -1.702 -4.684 1.00 0.00 H new ATOM 517 N ALA A 118 -2.417 -1.465 -12.435 1.00 0.00 N ATOM 518 CA ALA A 118 -1.826 -0.967 -13.683 1.00 0.00 C ATOM 519 C ALA A 118 -2.886 -0.665 -14.750 1.00 0.00 C ATOM 520 O ALA A 118 -2.863 0.443 -15.291 1.00 0.00 O ATOM 521 CB ALA A 118 -0.760 -1.921 -14.229 1.00 0.00 C ATOM 0 H ALA A 118 -2.018 -2.355 -12.135 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.337 -0.025 -13.434 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.348 -1.516 -15.153 1.00 0.00 H new ATOM 0 HB2 ALA A 118 0.038 -2.034 -13.495 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.210 -2.894 -14.429 1.00 0.00 H new ATOM 527 N PRO A 119 -3.852 -1.558 -15.049 1.00 0.00 N ATOM 528 CA PRO A 119 -4.876 -1.269 -16.046 1.00 0.00 C ATOM 529 C PRO A 119 -5.787 -0.088 -15.665 1.00 0.00 C ATOM 530 O PRO A 119 -6.606 0.319 -16.491 1.00 0.00 O ATOM 531 CB PRO A 119 -5.644 -2.575 -16.239 1.00 0.00 C ATOM 532 CG PRO A 119 -5.419 -3.350 -14.952 1.00 0.00 C ATOM 533 CD PRO A 119 -4.026 -2.913 -14.535 1.00 0.00 C ATOM 0 HA PRO A 119 -4.421 -0.937 -16.979 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.705 -2.389 -16.409 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.275 -3.127 -17.103 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.164 -3.103 -14.196 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -5.474 -4.427 -15.113 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -3.920 -2.934 -13.450 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -3.270 -3.584 -14.942 1.00 0.00 H new ATOM 541 N PHE A 120 -5.651 0.486 -14.464 1.00 0.00 N ATOM 542 CA PHE A 120 -6.458 1.629 -14.023 1.00 0.00 C ATOM 543 C PHE A 120 -5.689 2.945 -14.191 1.00 0.00 C ATOM 544 O PHE A 120 -6.308 4.010 -14.176 1.00 0.00 O ATOM 545 CB PHE A 120 -6.920 1.453 -12.573 1.00 0.00 C ATOM 546 CG PHE A 120 -7.898 0.313 -12.420 1.00 0.00 C ATOM 547 CD1 PHE A 120 -7.448 -1.018 -12.363 1.00 0.00 C ATOM 548 CD2 PHE A 120 -9.277 0.581 -12.420 1.00 0.00 C ATOM 549 CE1 PHE A 120 -8.380 -2.064 -12.337 1.00 0.00 C ATOM 550 CE2 PHE A 120 -10.205 -0.465 -12.415 1.00 0.00 C ATOM 551 CZ PHE A 120 -9.757 -1.789 -12.357 1.00 0.00 C ATOM 0 H PHE A 120 -4.976 0.169 -13.768 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.344 1.671 -14.657 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -6.053 1.274 -11.937 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.384 2.376 -12.227 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -6.390 -1.233 -12.339 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.623 1.604 -12.424 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -8.037 -3.088 -12.301 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -11.263 -0.252 -12.456 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.470 -2.600 -12.328 1.00 0.00 H new ATOM 561 N GLY A 121 -4.370 2.882 -14.395 1.00 0.00 N ATOM 562 CA GLY A 121 -3.490 4.018 -14.590 1.00 0.00 C ATOM 563 C GLY A 121 -2.039 3.621 -14.334 1.00 0.00 C ATOM 564 O GLY A 121 -1.764 2.653 -13.621 1.00 0.00 O ATOM 0 H GLY A 121 -3.872 1.992 -14.429 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.595 4.397 -15.607 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.776 4.827 -13.917 1.00 0.00 H new ATOM 568 N ARG A 122 -1.103 4.385 -14.891 1.00 0.00 N ATOM 569 CA ARG A 122 0.336 4.175 -14.765 1.00 0.00 C ATOM 570 C ARG A 122 0.801 4.565 -13.367 1.00 0.00 C ATOM 571 O ARG A 122 0.850 5.746 -13.010 1.00 0.00 O ATOM 572 CB ARG A 122 1.058 4.977 -15.843 1.00 0.00 C ATOM 573 CG ARG A 122 0.916 4.297 -17.202 1.00 0.00 C ATOM 574 CD ARG A 122 1.239 5.250 -18.350 1.00 0.00 C ATOM 575 NE ARG A 122 0.802 4.689 -19.635 1.00 0.00 N ATOM 576 CZ ARG A 122 0.859 5.320 -20.812 1.00 0.00 C ATOM 577 NH1 ARG A 122 1.367 6.542 -20.916 1.00 0.00 N ATOM 578 NH2 ARG A 122 0.403 4.712 -21.898 1.00 0.00 N ATOM 0 H ARG A 122 -1.335 5.197 -15.463 1.00 0.00 H new ATOM 0 HA ARG A 122 0.572 3.120 -14.907 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.648 5.986 -15.890 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.113 5.074 -15.587 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.581 3.434 -17.248 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -0.101 3.922 -17.316 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.748 6.209 -18.181 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.312 5.442 -18.378 1.00 0.00 H new ATOM 0 HE ARG A 122 0.425 3.741 -19.629 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.724 7.018 -20.088 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.401 7.005 -21.824 1.00 0.00 H new ATOM 0 HH21 ARG A 122 0.013 3.772 -21.830 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.442 5.184 -22.801 1.00 0.00 H new ATOM 592 N ILE A 123 1.112 3.535 -12.594 1.00 0.00 N ATOM 593 CA ILE A 123 1.567 3.595 -11.222 1.00 0.00 C ATOM 594 C ILE A 123 3.002 4.094 -11.192 1.00 0.00 C ATOM 595 O ILE A 123 3.842 3.680 -11.997 1.00 0.00 O ATOM 596 CB ILE A 123 1.461 2.193 -10.577 1.00 0.00 C ATOM 597 CG1 ILE A 123 0.034 1.606 -10.706 1.00 0.00 C ATOM 598 CG2 ILE A 123 1.860 2.222 -9.095 1.00 0.00 C ATOM 599 CD1 ILE A 123 -0.083 0.145 -10.285 1.00 0.00 C ATOM 0 H ILE A 123 1.047 2.576 -12.935 1.00 0.00 H new ATOM 0 HA ILE A 123 0.943 4.284 -10.653 1.00 0.00 H new ATOM 0 HB ILE A 123 2.156 1.553 -11.122 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.648 2.202 -10.100 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.293 1.701 -11.741 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.773 1.220 -8.675 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.890 2.566 -9.002 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.200 2.900 -8.554 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.114 -0.187 -10.406 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.571 -0.466 -10.907 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.211 0.043 -9.240 1.00 0.00 H new ATOM 611 N SER A 124 3.314 4.937 -10.210 1.00 0.00 N ATOM 612 CA SER A 124 4.643 5.479 -10.021 1.00 0.00 C ATOM 613 C SER A 124 5.325 4.670 -8.914 1.00 0.00 C ATOM 614 O SER A 124 6.298 3.950 -9.153 1.00 0.00 O ATOM 615 CB SER A 124 4.537 6.983 -9.752 1.00 0.00 C ATOM 616 OG SER A 124 3.646 7.331 -8.706 1.00 0.00 O ATOM 0 H SER A 124 2.638 5.262 -9.519 1.00 0.00 H new ATOM 0 HA SER A 124 5.269 5.387 -10.908 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.528 7.367 -9.511 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.216 7.481 -10.667 1.00 0.00 H new ATOM 0 HG SER A 124 3.644 8.304 -8.588 1.00 0.00 H new ATOM 622 N ASP A 125 4.865 4.872 -7.686 1.00 0.00 N ATOM 623 CA ASP A 125 5.291 4.236 -6.445 1.00 0.00 C ATOM 624 C ASP A 125 4.281 3.160 -6.040 1.00 0.00 C ATOM 625 O ASP A 125 3.083 3.349 -6.270 1.00 0.00 O ATOM 626 CB ASP A 125 5.465 5.333 -5.401 1.00 0.00 C ATOM 627 CG ASP A 125 5.876 4.817 -4.035 1.00 0.00 C ATOM 628 OD1 ASP A 125 6.933 4.154 -3.948 1.00 0.00 O ATOM 629 OD2 ASP A 125 5.193 5.144 -3.041 1.00 0.00 O ATOM 0 H ASP A 125 4.117 5.545 -7.518 1.00 0.00 H new ATOM 0 HA ASP A 125 6.245 3.721 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 125 6.215 6.041 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.529 5.883 -5.305 1.00 0.00 H new ATOM 634 N ALA A 126 4.734 2.036 -5.487 1.00 0.00 N ATOM 635 CA ALA A 126 3.894 0.923 -5.045 1.00 0.00 C ATOM 636 C ALA A 126 4.716 0.048 -4.101 1.00 0.00 C ATOM 637 O ALA A 126 5.866 -0.262 -4.435 1.00 0.00 O ATOM 638 CB ALA A 126 3.441 0.101 -6.261 1.00 0.00 C ATOM 0 H ALA A 126 5.728 1.869 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 126 3.010 1.299 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.816 -0.727 -5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 126 2.871 0.737 -6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 126 4.315 -0.291 -6.781 1.00 0.00 H new ATOM 644 N ARG A 127 4.187 -0.326 -2.930 1.00 0.00 N ATOM 645 CA ARG A 127 4.897 -1.193 -1.985 1.00 0.00 C ATOM 646 C ARG A 127 3.943 -1.940 -1.075 1.00 0.00 C ATOM 647 O ARG A 127 2.805 -1.510 -0.854 1.00 0.00 O ATOM 648 CB ARG A 127 5.945 -0.431 -1.163 1.00 0.00 C ATOM 649 CG ARG A 127 5.367 0.616 -0.206 1.00 0.00 C ATOM 650 CD ARG A 127 6.535 1.284 0.517 1.00 0.00 C ATOM 651 NE ARG A 127 6.207 2.641 0.965 1.00 0.00 N ATOM 652 CZ ARG A 127 6.293 3.739 0.206 1.00 0.00 C ATOM 653 NH1 ARG A 127 6.463 3.629 -1.104 1.00 0.00 N ATOM 654 NH2 ARG A 127 6.230 4.935 0.773 1.00 0.00 N ATOM 0 H ARG A 127 3.261 -0.038 -2.613 1.00 0.00 H new ATOM 0 HA ARG A 127 5.428 -1.927 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.527 -1.149 -0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.635 0.063 -1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.785 1.356 -0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.692 0.147 0.510 1.00 0.00 H new ATOM 0 HD2 ARG A 127 6.821 0.679 1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.398 1.322 -0.148 1.00 0.00 H new ATOM 0 HE ARG A 127 5.889 2.756 1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 127 6.528 2.706 -1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 127 6.528 4.467 -1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 127 6.116 5.015 1.784 1.00 0.00 H new ATOM 0 HH22 ARG A 127 6.295 5.776 0.199 1.00 0.00 H new ATOM 668 N VAL A 128 4.424 -3.052 -0.538 1.00 0.00 N ATOM 669 CA VAL A 128 3.717 -3.921 0.383 1.00 0.00 C ATOM 670 C VAL A 128 4.384 -3.632 1.720 1.00 0.00 C ATOM 671 O VAL A 128 5.601 -3.789 1.854 1.00 0.00 O ATOM 672 CB VAL A 128 3.884 -5.384 -0.053 1.00 0.00 C ATOM 673 CG1 VAL A 128 3.341 -6.363 0.990 1.00 0.00 C ATOM 674 CG2 VAL A 128 3.142 -5.621 -1.362 1.00 0.00 C ATOM 0 H VAL A 128 5.365 -3.386 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 128 2.641 -3.751 0.425 1.00 0.00 H new ATOM 0 HB VAL A 128 4.953 -5.561 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.481 -7.385 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.876 -6.227 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 128 2.279 -6.176 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.264 -6.661 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.083 -5.405 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.548 -4.967 -2.134 1.00 0.00 H new ATOM 684 N VAL A 129 3.630 -3.148 2.701 1.00 0.00 N ATOM 685 CA VAL A 129 4.191 -2.827 4.005 1.00 0.00 C ATOM 686 C VAL A 129 4.718 -4.107 4.660 1.00 0.00 C ATOM 687 O VAL A 129 4.090 -5.165 4.565 1.00 0.00 O ATOM 688 CB VAL A 129 3.147 -2.078 4.851 1.00 0.00 C ATOM 689 CG1 VAL A 129 3.759 -1.664 6.194 1.00 0.00 C ATOM 690 CG2 VAL A 129 2.658 -0.829 4.094 1.00 0.00 C ATOM 0 H VAL A 129 2.629 -2.970 2.616 1.00 0.00 H new ATOM 0 HA VAL A 129 5.043 -2.153 3.908 1.00 0.00 H new ATOM 0 HB VAL A 129 2.300 -2.739 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 129 3.013 -1.134 6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 129 4.087 -2.552 6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.613 -1.010 6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.919 -0.303 4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.503 -0.169 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 129 2.206 -1.130 3.149 1.00 0.00 H new ATOM 700 N LYS A 130 5.879 -4.030 5.310 1.00 0.00 N ATOM 701 CA LYS A 130 6.515 -5.152 5.996 1.00 0.00 C ATOM 702 C LYS A 130 6.972 -4.683 7.369 1.00 0.00 C ATOM 703 O LYS A 130 7.245 -3.492 7.541 1.00 0.00 O ATOM 704 CB LYS A 130 7.655 -5.723 5.141 1.00 0.00 C ATOM 705 CG LYS A 130 7.088 -6.640 4.043 1.00 0.00 C ATOM 706 CD LYS A 130 8.101 -6.976 2.963 1.00 0.00 C ATOM 707 CE LYS A 130 7.505 -7.985 1.972 1.00 0.00 C ATOM 708 NZ LYS A 130 8.475 -8.375 0.926 1.00 0.00 N ATOM 0 H LYS A 130 6.415 -3.165 5.375 1.00 0.00 H new ATOM 0 HA LYS A 130 5.809 -5.970 6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 130 8.222 -4.910 4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 130 8.347 -6.282 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.732 -7.564 4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 130 6.225 -6.157 3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 130 8.396 -6.069 2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 130 9.002 -7.389 3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.178 -8.873 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.621 -7.553 1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.032 -9.057 0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 8.768 -7.532 0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.308 -8.811 1.370 1.00 0.00 H new ATOM 722 N ASP A 131 7.011 -5.581 8.349 1.00 0.00 N ATOM 723 CA ASP A 131 7.417 -5.242 9.712 1.00 0.00 C ATOM 724 C ASP A 131 8.902 -4.927 9.799 1.00 0.00 C ATOM 725 O ASP A 131 9.705 -5.630 9.195 1.00 0.00 O ATOM 726 CB ASP A 131 7.086 -6.368 10.688 1.00 0.00 C ATOM 727 CG ASP A 131 6.978 -5.751 12.076 1.00 0.00 C ATOM 728 OD1 ASP A 131 8.012 -5.609 12.764 1.00 0.00 O ATOM 729 OD2 ASP A 131 5.845 -5.327 12.409 1.00 0.00 O ATOM 0 H ASP A 131 6.763 -6.562 8.223 1.00 0.00 H new ATOM 0 HA ASP A 131 6.853 -4.351 9.988 1.00 0.00 H new ATOM 0 HB2 ASP A 131 6.151 -6.854 10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.861 -7.134 10.668 1.00 0.00 H new ATOM 734 N MET A 132 9.290 -3.895 10.546 1.00 0.00 N ATOM 735 CA MET A 132 10.695 -3.527 10.674 1.00 0.00 C ATOM 736 C MET A 132 11.507 -4.517 11.515 1.00 0.00 C ATOM 737 O MET A 132 12.733 -4.506 11.422 1.00 0.00 O ATOM 738 CB MET A 132 10.829 -2.093 11.215 1.00 0.00 C ATOM 739 CG MET A 132 10.168 -1.808 12.565 1.00 0.00 C ATOM 740 SD MET A 132 10.230 -0.050 13.026 1.00 0.00 S ATOM 741 CE MET A 132 11.979 0.121 13.473 1.00 0.00 C ATOM 0 H MET A 132 8.649 -3.300 11.071 1.00 0.00 H new ATOM 0 HA MET A 132 11.122 -3.568 9.672 1.00 0.00 H new ATOM 0 HB2 MET A 132 11.890 -1.858 11.298 1.00 0.00 H new ATOM 0 HB3 MET A 132 10.408 -1.410 10.478 1.00 0.00 H new ATOM 0 HG2 MET A 132 9.128 -2.133 12.531 1.00 0.00 H new ATOM 0 HG3 MET A 132 10.661 -2.399 13.337 1.00 0.00 H new ATOM 0 HE1 MET A 132 12.162 1.128 13.847 1.00 0.00 H new ATOM 0 HE2 MET A 132 12.229 -0.605 14.247 1.00 0.00 H new ATOM 0 HE3 MET A 132 12.598 -0.058 12.594 1.00 0.00 H new ATOM 751 N ALA A 133 10.889 -5.376 12.332 1.00 0.00 N ATOM 752 CA ALA A 133 11.623 -6.332 13.162 1.00 0.00 C ATOM 753 C ALA A 133 11.809 -7.706 12.520 1.00 0.00 C ATOM 754 O ALA A 133 12.609 -8.493 13.029 1.00 0.00 O ATOM 755 CB ALA A 133 10.875 -6.522 14.477 1.00 0.00 C ATOM 0 H ALA A 133 9.876 -5.427 12.435 1.00 0.00 H new ATOM 0 HA ALA A 133 12.617 -5.909 13.305 1.00 0.00 H new ATOM 0 HB1 ALA A 133 11.414 -7.233 15.103 1.00 0.00 H new ATOM 0 HB2 ALA A 133 10.801 -5.566 14.995 1.00 0.00 H new ATOM 0 HB3 ALA A 133 9.874 -6.903 14.274 1.00 0.00 H new ATOM 761 N THR A 134 11.115 -8.010 11.418 1.00 0.00 N ATOM 762 CA THR A 134 11.224 -9.322 10.766 1.00 0.00 C ATOM 763 C THR A 134 11.232 -9.257 9.241 1.00 0.00 C ATOM 764 O THR A 134 11.610 -10.213 8.559 1.00 0.00 O ATOM 765 CB THR A 134 10.034 -10.190 11.219 1.00 0.00 C ATOM 766 OG1 THR A 134 8.808 -9.643 10.759 1.00 0.00 O ATOM 767 CG2 THR A 134 9.927 -10.284 12.735 1.00 0.00 C ATOM 0 H THR A 134 10.471 -7.366 10.958 1.00 0.00 H new ATOM 0 HA THR A 134 12.183 -9.746 11.064 1.00 0.00 H new ATOM 0 HB THR A 134 10.215 -11.179 10.798 1.00 0.00 H new ATOM 0 HG1 THR A 134 8.065 -10.209 11.056 1.00 0.00 H new ATOM 0 HG21 THR A 134 9.073 -10.906 13.002 1.00 0.00 H new ATOM 0 HG22 THR A 134 10.838 -10.727 13.137 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.793 -9.286 13.153 1.00 0.00 H new ATOM 775 N GLY A 135 10.815 -8.119 8.691 1.00 0.00 N ATOM 776 CA GLY A 135 10.726 -7.896 7.254 1.00 0.00 C ATOM 777 C GLY A 135 9.579 -8.716 6.657 1.00 0.00 C ATOM 778 O GLY A 135 9.542 -8.930 5.444 1.00 0.00 O ATOM 0 H GLY A 135 10.525 -7.312 9.244 1.00 0.00 H new ATOM 0 HA2 GLY A 135 10.567 -6.837 7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 135 11.666 -8.173 6.778 1.00 0.00 H new ATOM 782 N LYS A 136 8.656 -9.216 7.488 1.00 0.00 N ATOM 783 CA LYS A 136 7.534 -10.028 7.040 1.00 0.00 C ATOM 784 C LYS A 136 6.372 -9.149 6.639 1.00 0.00 C ATOM 785 O LYS A 136 6.182 -8.062 7.188 1.00 0.00 O ATOM 786 CB LYS A 136 7.146 -11.043 8.124 1.00 0.00 C ATOM 787 CG LYS A 136 8.299 -12.001 8.481 1.00 0.00 C ATOM 788 CD LYS A 136 8.780 -12.858 7.308 1.00 0.00 C ATOM 789 CE LYS A 136 9.988 -13.701 7.705 1.00 0.00 C ATOM 790 NZ LYS A 136 10.429 -14.527 6.569 1.00 0.00 N ATOM 0 H LYS A 136 8.673 -9.063 8.496 1.00 0.00 H new ATOM 0 HA LYS A 136 7.830 -10.593 6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.832 -10.509 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 136 6.289 -11.624 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 136 9.138 -11.418 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.976 -12.657 9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.972 -13.509 6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.041 -12.216 6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 136 10.802 -13.053 8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 136 9.733 -14.340 8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 11.252 -15.096 6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 9.655 -15.158 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.692 -13.911 5.773 1.00 0.00 H new ATOM 804 N SER A 137 5.604 -9.634 5.670 1.00 0.00 N ATOM 805 CA SER A 137 4.447 -8.968 5.106 1.00 0.00 C ATOM 806 C SER A 137 3.432 -8.611 6.192 1.00 0.00 C ATOM 807 O SER A 137 3.016 -9.475 6.973 1.00 0.00 O ATOM 808 CB SER A 137 3.896 -9.846 3.980 1.00 0.00 C ATOM 809 OG SER A 137 3.675 -9.060 2.832 1.00 0.00 O ATOM 0 H SER A 137 5.783 -10.542 5.241 1.00 0.00 H new ATOM 0 HA SER A 137 4.718 -8.007 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 137 4.599 -10.648 3.754 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.965 -10.317 4.295 1.00 0.00 H new ATOM 0 HG SER A 137 3.324 -9.624 2.112 1.00 0.00 H new ATOM 815 N LYS A 138 3.094 -7.317 6.272 1.00 0.00 N ATOM 816 CA LYS A 138 2.124 -6.796 7.248 1.00 0.00 C ATOM 817 C LYS A 138 0.696 -7.226 6.895 1.00 0.00 C ATOM 818 O LYS A 138 -0.008 -7.789 7.734 1.00 0.00 O ATOM 819 CB LYS A 138 2.231 -5.270 7.406 1.00 0.00 C ATOM 820 CG LYS A 138 3.439 -4.888 8.286 1.00 0.00 C ATOM 821 CD LYS A 138 3.111 -3.750 9.261 1.00 0.00 C ATOM 822 CE LYS A 138 4.325 -3.421 10.135 1.00 0.00 C ATOM 823 NZ LYS A 138 3.927 -2.721 11.373 1.00 0.00 N ATOM 0 H LYS A 138 3.485 -6.600 5.661 1.00 0.00 H new ATOM 0 HA LYS A 138 2.372 -7.233 8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.330 -4.805 6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.315 -4.882 7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.767 -5.762 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.271 -4.589 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.806 -2.864 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 138 2.269 -4.036 9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.852 -4.341 10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.022 -2.800 9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 4.773 -2.513 11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 3.446 -1.831 11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 3.281 -3.325 11.921 1.00 0.00 H new ATOM 837 N GLY A 139 0.260 -6.951 5.669 1.00 0.00 N ATOM 838 CA GLY A 139 -1.049 -7.266 5.109 1.00 0.00 C ATOM 839 C GLY A 139 -1.596 -6.149 4.215 1.00 0.00 C ATOM 840 O GLY A 139 -2.426 -6.419 3.350 1.00 0.00 O ATOM 0 H GLY A 139 0.854 -6.469 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -0.980 -8.187 4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.752 -7.452 5.921 1.00 0.00 H new ATOM 844 N TYR A 140 -1.215 -4.889 4.457 1.00 0.00 N ATOM 845 CA TYR A 140 -1.634 -3.716 3.686 1.00 0.00 C ATOM 846 C TYR A 140 -0.551 -3.227 2.717 1.00 0.00 C ATOM 847 O TYR A 140 0.635 -3.539 2.871 1.00 0.00 O ATOM 848 CB TYR A 140 -2.173 -2.626 4.624 1.00 0.00 C ATOM 849 CG TYR A 140 -1.216 -2.089 5.676 1.00 0.00 C ATOM 850 CD1 TYR A 140 -0.963 -2.826 6.853 1.00 0.00 C ATOM 851 CD2 TYR A 140 -0.659 -0.801 5.528 1.00 0.00 C ATOM 852 CE1 TYR A 140 -0.129 -2.295 7.854 1.00 0.00 C ATOM 853 CE2 TYR A 140 0.154 -0.255 6.541 1.00 0.00 C ATOM 854 CZ TYR A 140 0.436 -1.009 7.702 1.00 0.00 C ATOM 855 OH TYR A 140 1.259 -0.517 8.668 1.00 0.00 O ATOM 0 H TYR A 140 -0.584 -4.652 5.223 1.00 0.00 H new ATOM 0 HA TYR A 140 -2.459 -4.009 3.036 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.510 -1.789 4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.051 -3.022 5.134 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -1.411 -3.800 6.985 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -0.857 -0.230 4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 140 0.080 -2.873 8.742 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.561 0.739 6.430 1.00 0.00 H new ATOM 0 HH TYR A 140 1.565 0.378 8.412 1.00 0.00 H new ATOM 865 N GLY A 141 -0.938 -2.434 1.724 1.00 0.00 N ATOM 866 CA GLY A 141 -0.047 -1.866 0.724 1.00 0.00 C ATOM 867 C GLY A 141 -0.509 -0.466 0.335 1.00 0.00 C ATOM 868 O GLY A 141 -1.609 -0.040 0.695 1.00 0.00 O ATOM 0 H GLY A 141 -1.912 -2.161 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 141 0.970 -1.825 1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -0.024 -2.506 -0.158 1.00 0.00 H new ATOM 872 N PHE A 142 0.342 0.249 -0.398 1.00 0.00 N ATOM 873 CA PHE A 142 0.086 1.604 -0.879 1.00 0.00 C ATOM 874 C PHE A 142 0.450 1.677 -2.365 1.00 0.00 C ATOM 875 O PHE A 142 1.427 1.043 -2.771 1.00 0.00 O ATOM 876 CB PHE A 142 0.879 2.624 -0.048 1.00 0.00 C ATOM 877 CG PHE A 142 0.502 2.678 1.426 1.00 0.00 C ATOM 878 CD1 PHE A 142 -0.782 3.107 1.807 1.00 0.00 C ATOM 879 CD2 PHE A 142 1.433 2.331 2.425 1.00 0.00 C ATOM 880 CE1 PHE A 142 -1.142 3.187 3.165 1.00 0.00 C ATOM 881 CE2 PHE A 142 1.081 2.412 3.785 1.00 0.00 C ATOM 882 CZ PHE A 142 -0.208 2.835 4.153 1.00 0.00 C ATOM 0 H PHE A 142 1.254 -0.109 -0.681 1.00 0.00 H new ATOM 0 HA PHE A 142 -0.970 1.850 -0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 142 1.941 2.390 -0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 142 0.737 3.614 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.501 3.378 1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 142 2.423 2.001 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -2.131 3.517 3.446 1.00 0.00 H new ATOM 0 HE2 PHE A 142 1.801 2.149 4.546 1.00 0.00 H new ATOM 0 HZ PHE A 142 -0.480 2.889 5.197 1.00 0.00 H new ATOM 892 N VAL A 143 -0.318 2.410 -3.174 1.00 0.00 N ATOM 893 CA VAL A 143 -0.115 2.573 -4.618 1.00 0.00 C ATOM 894 C VAL A 143 -0.245 4.069 -4.936 1.00 0.00 C ATOM 895 O VAL A 143 -1.104 4.733 -4.366 1.00 0.00 O ATOM 896 CB VAL A 143 -1.165 1.709 -5.370 1.00 0.00 C ATOM 897 CG1 VAL A 143 -1.026 1.834 -6.889 1.00 0.00 C ATOM 898 CG2 VAL A 143 -1.063 0.207 -5.056 1.00 0.00 C ATOM 0 H VAL A 143 -1.128 2.926 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 143 0.870 2.236 -4.939 1.00 0.00 H new ATOM 0 HB VAL A 143 -2.121 2.098 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -1.779 1.214 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.167 2.874 -7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.033 1.503 -7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -1.826 -0.334 -5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -0.076 -0.158 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.214 0.047 -3.988 1.00 0.00 H new ATOM 908 N SER A 144 0.545 4.605 -5.864 1.00 0.00 N ATOM 909 CA SER A 144 0.577 6.003 -6.281 1.00 0.00 C ATOM 910 C SER A 144 0.247 6.101 -7.775 1.00 0.00 C ATOM 911 O SER A 144 0.901 5.422 -8.565 1.00 0.00 O ATOM 912 CB SER A 144 1.992 6.469 -5.948 1.00 0.00 C ATOM 913 OG SER A 144 2.252 7.808 -6.281 1.00 0.00 O ATOM 0 H SER A 144 1.221 4.038 -6.376 1.00 0.00 H new ATOM 0 HA SER A 144 -0.159 6.631 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 144 2.166 6.332 -4.881 1.00 0.00 H new ATOM 0 HB3 SER A 144 2.705 5.832 -6.471 1.00 0.00 H new ATOM 0 HG SER A 144 2.735 7.845 -7.133 1.00 0.00 H new ATOM 919 N PHE A 145 -0.684 6.982 -8.175 1.00 0.00 N ATOM 920 CA PHE A 145 -1.125 7.151 -9.567 1.00 0.00 C ATOM 921 C PHE A 145 -0.768 8.519 -10.165 1.00 0.00 C ATOM 922 O PHE A 145 -0.766 9.543 -9.470 1.00 0.00 O ATOM 923 CB PHE A 145 -2.658 6.960 -9.643 1.00 0.00 C ATOM 924 CG PHE A 145 -3.206 5.631 -9.139 1.00 0.00 C ATOM 925 CD1 PHE A 145 -3.140 5.320 -7.771 1.00 0.00 C ATOM 926 CD2 PHE A 145 -3.775 4.687 -10.020 1.00 0.00 C ATOM 927 CE1 PHE A 145 -3.514 4.051 -7.320 1.00 0.00 C ATOM 928 CE2 PHE A 145 -4.144 3.411 -9.564 1.00 0.00 C ATOM 929 CZ PHE A 145 -3.982 3.079 -8.212 1.00 0.00 C ATOM 0 H PHE A 145 -1.160 7.609 -7.526 1.00 0.00 H new ATOM 0 HA PHE A 145 -0.597 6.399 -10.153 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.130 7.761 -9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -2.966 7.083 -10.681 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -2.799 6.063 -7.066 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -3.928 4.949 -11.057 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -3.441 3.817 -6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -4.552 2.687 -10.254 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.216 2.084 -7.862 1.00 0.00 H new ATOM 939 N PHE A 146 -0.558 8.548 -11.489 1.00 0.00 N ATOM 940 CA PHE A 146 -0.216 9.746 -12.269 1.00 0.00 C ATOM 941 C PHE A 146 -1.378 10.757 -12.418 1.00 0.00 C ATOM 942 O PHE A 146 -1.129 11.888 -12.844 1.00 0.00 O ATOM 943 CB PHE A 146 0.249 9.345 -13.680 1.00 0.00 C ATOM 944 CG PHE A 146 1.632 8.752 -13.894 1.00 0.00 C ATOM 945 CD1 PHE A 146 2.654 8.785 -12.921 1.00 0.00 C ATOM 946 CD2 PHE A 146 1.889 8.154 -15.143 1.00 0.00 C ATOM 947 CE1 PHE A 146 3.893 8.173 -13.194 1.00 0.00 C ATOM 948 CE2 PHE A 146 3.113 7.515 -15.392 1.00 0.00 C ATOM 949 CZ PHE A 146 4.108 7.500 -14.405 1.00 0.00 C ATOM 0 H PHE A 146 -0.624 7.709 -12.066 1.00 0.00 H new ATOM 0 HA PHE A 146 0.578 10.238 -11.707 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -0.473 8.625 -14.065 1.00 0.00 H new ATOM 0 HB3 PHE A 146 0.179 10.234 -14.307 1.00 0.00 H new ATOM 0 HD1 PHE A 146 2.487 9.276 -11.974 1.00 0.00 H new ATOM 0 HD2 PHE A 146 1.136 8.188 -15.917 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.686 8.223 -12.462 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.288 7.035 -16.343 1.00 0.00 H new ATOM 0 HZ PHE A 146 5.035 6.973 -14.576 1.00 0.00 H new ATOM 959 N ASN A 147 -2.640 10.405 -12.131 1.00 0.00 N ATOM 960 CA ASN A 147 -3.786 11.320 -12.223 1.00 0.00 C ATOM 961 C ASN A 147 -4.686 11.074 -11.021 1.00 0.00 C ATOM 962 O ASN A 147 -4.663 9.984 -10.451 1.00 0.00 O ATOM 963 CB ASN A 147 -4.709 11.081 -13.434 1.00 0.00 C ATOM 964 CG ASN A 147 -4.115 11.086 -14.831 1.00 0.00 C ATOM 965 OD1 ASN A 147 -3.104 11.712 -15.132 1.00 0.00 O ATOM 966 ND2 ASN A 147 -4.783 10.442 -15.771 1.00 0.00 N ATOM 0 H ASN A 147 -2.896 9.466 -11.825 1.00 0.00 H new ATOM 0 HA ASN A 147 -3.351 12.317 -12.294 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -5.198 10.118 -13.289 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -5.489 11.841 -13.407 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -4.457 10.468 -16.737 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -5.625 9.919 -15.531 1.00 0.00 H new ATOM 973 N LYS A 148 -5.539 12.043 -10.682 1.00 0.00 N ATOM 974 CA LYS A 148 -6.479 11.910 -9.572 1.00 0.00 C ATOM 975 C LYS A 148 -7.466 10.796 -9.907 1.00 0.00 C ATOM 976 O LYS A 148 -7.603 9.826 -9.170 1.00 0.00 O ATOM 977 CB LYS A 148 -7.206 13.249 -9.395 1.00 0.00 C ATOM 978 CG LYS A 148 -8.238 13.250 -8.263 1.00 0.00 C ATOM 979 CD LYS A 148 -7.585 13.444 -6.904 1.00 0.00 C ATOM 980 CE LYS A 148 -8.671 13.694 -5.863 1.00 0.00 C ATOM 981 NZ LYS A 148 -8.094 14.229 -4.619 1.00 0.00 N ATOM 0 H LYS A 148 -5.596 12.938 -11.168 1.00 0.00 H new ATOM 0 HA LYS A 148 -5.966 11.659 -8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -6.469 14.029 -9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -7.705 13.506 -10.329 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -8.964 14.045 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -8.787 12.309 -8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -7.003 12.562 -6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -6.893 14.285 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -9.405 14.396 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -9.200 12.764 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -8.852 14.391 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -7.411 13.547 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -7.610 15.128 -4.819 1.00 0.00 H new ATOM 995 N TRP A 149 -8.082 10.917 -11.077 1.00 0.00 N ATOM 996 CA TRP A 149 -9.074 10.005 -11.622 1.00 0.00 C ATOM 997 C TRP A 149 -8.536 8.599 -11.807 1.00 0.00 C ATOM 998 O TRP A 149 -9.312 7.656 -11.799 1.00 0.00 O ATOM 999 CB TRP A 149 -9.573 10.521 -12.977 1.00 0.00 C ATOM 1000 CG TRP A 149 -9.297 11.958 -13.263 1.00 0.00 C ATOM 1001 CD1 TRP A 149 -8.455 12.411 -14.215 1.00 0.00 C ATOM 1002 CD2 TRP A 149 -9.698 13.110 -12.476 1.00 0.00 C ATOM 1003 NE1 TRP A 149 -8.316 13.780 -14.082 1.00 0.00 N ATOM 1004 CE2 TRP A 149 -9.046 14.256 -13.011 1.00 0.00 C ATOM 1005 CE3 TRP A 149 -10.452 13.277 -11.297 1.00 0.00 C ATOM 1006 CZ2 TRP A 149 -9.176 15.518 -12.423 1.00 0.00 C ATOM 1007 CZ3 TRP A 149 -10.557 14.538 -10.688 1.00 0.00 C ATOM 1008 CH2 TRP A 149 -9.951 15.663 -11.265 1.00 0.00 C ATOM 0 H TRP A 149 -7.890 11.698 -11.704 1.00 0.00 H new ATOM 0 HA TRP A 149 -9.889 9.963 -10.900 1.00 0.00 H new ATOM 0 HB2 TRP A 149 -9.119 9.919 -13.764 1.00 0.00 H new ATOM 0 HB3 TRP A 149 -10.649 10.359 -13.033 1.00 0.00 H new ATOM 0 HD1 TRP A 149 -7.968 11.802 -14.962 1.00 0.00 H new ATOM 0 HE1 TRP A 149 -7.747 14.363 -14.696 1.00 0.00 H new ATOM 0 HE3 TRP A 149 -10.954 12.427 -10.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 -8.683 16.374 -12.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 -11.110 14.642 -9.766 1.00 0.00 H new ATOM 0 HH2 TRP A 149 -10.081 16.638 -10.818 1.00 0.00 H new ATOM 1019 N ASP A 150 -7.235 8.444 -12.048 1.00 0.00 N ATOM 1020 CA ASP A 150 -6.633 7.125 -12.237 1.00 0.00 C ATOM 1021 C ASP A 150 -6.785 6.358 -10.924 1.00 0.00 C ATOM 1022 O ASP A 150 -7.148 5.183 -10.923 1.00 0.00 O ATOM 1023 CB ASP A 150 -5.165 7.229 -12.686 1.00 0.00 C ATOM 1024 CG ASP A 150 -4.971 7.673 -14.139 1.00 0.00 C ATOM 1025 OD1 ASP A 150 -5.956 8.101 -14.786 1.00 0.00 O ATOM 1026 OD2 ASP A 150 -3.798 7.771 -14.578 1.00 0.00 O ATOM 0 H ASP A 150 -6.575 9.219 -12.117 1.00 0.00 H new ATOM 0 HA ASP A 150 -7.142 6.588 -13.037 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -4.648 7.933 -12.033 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -4.688 6.258 -12.550 1.00 0.00 H new ATOM 1031 N ALA A 151 -6.527 7.042 -9.805 1.00 0.00 N ATOM 1032 CA ALA A 151 -6.650 6.475 -8.479 1.00 0.00 C ATOM 1033 C ALA A 151 -8.125 6.300 -8.129 1.00 0.00 C ATOM 1034 O ALA A 151 -8.488 5.230 -7.660 1.00 0.00 O ATOM 1035 CB ALA A 151 -5.990 7.388 -7.449 1.00 0.00 C ATOM 0 H ALA A 151 -6.224 8.016 -9.806 1.00 0.00 H new ATOM 0 HA ALA A 151 -6.152 5.505 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -6.090 6.949 -6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.933 7.504 -7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -6.475 8.364 -7.465 1.00 0.00 H new ATOM 1041 N GLU A 152 -8.975 7.316 -8.349 1.00 0.00 N ATOM 1042 CA GLU A 152 -10.407 7.231 -8.035 1.00 0.00 C ATOM 1043 C GLU A 152 -11.048 6.034 -8.736 1.00 0.00 C ATOM 1044 O GLU A 152 -11.755 5.255 -8.098 1.00 0.00 O ATOM 1045 CB GLU A 152 -11.159 8.524 -8.387 1.00 0.00 C ATOM 1046 CG GLU A 152 -10.745 9.671 -7.470 1.00 0.00 C ATOM 1047 CD GLU A 152 -11.784 10.790 -7.372 1.00 0.00 C ATOM 1048 OE1 GLU A 152 -12.798 10.598 -6.668 1.00 0.00 O ATOM 1049 OE2 GLU A 152 -11.548 11.906 -7.891 1.00 0.00 O ATOM 0 H GLU A 152 -8.690 8.211 -8.746 1.00 0.00 H new ATOM 0 HA GLU A 152 -10.486 7.092 -6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -10.958 8.794 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -12.233 8.357 -8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -10.556 9.276 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -9.806 10.091 -7.830 1.00 0.00 H new ATOM 1056 N ASN A 153 -10.766 5.872 -10.032 1.00 0.00 N ATOM 1057 CA ASN A 153 -11.248 4.791 -10.889 1.00 0.00 C ATOM 1058 C ASN A 153 -10.984 3.472 -10.176 1.00 0.00 C ATOM 1059 O ASN A 153 -11.897 2.675 -9.983 1.00 0.00 O ATOM 1060 CB ASN A 153 -10.507 4.918 -12.235 1.00 0.00 C ATOM 1061 CG ASN A 153 -10.731 3.864 -13.309 1.00 0.00 C ATOM 1062 OD1 ASN A 153 -11.846 3.441 -13.598 1.00 0.00 O ATOM 1063 ND2 ASN A 153 -9.684 3.514 -14.043 1.00 0.00 N ATOM 0 H ASN A 153 -10.165 6.525 -10.535 1.00 0.00 H new ATOM 0 HA ASN A 153 -12.319 4.839 -11.087 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -10.770 5.885 -12.664 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -9.439 4.945 -12.020 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -9.807 2.895 -14.845 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -8.755 3.863 -13.806 1.00 0.00 H new ATOM 1070 N ALA A 154 -9.748 3.267 -9.728 1.00 0.00 N ATOM 1071 CA ALA A 154 -9.356 2.077 -9.014 1.00 0.00 C ATOM 1072 C ALA A 154 -10.003 2.002 -7.629 1.00 0.00 C ATOM 1073 O ALA A 154 -10.497 0.939 -7.303 1.00 0.00 O ATOM 1074 CB ALA A 154 -7.843 1.999 -8.895 1.00 0.00 C ATOM 0 H ALA A 154 -8.989 3.936 -9.857 1.00 0.00 H new ATOM 0 HA ALA A 154 -9.711 1.222 -9.590 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -7.567 1.094 -8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -7.400 1.975 -9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -7.475 2.872 -8.355 1.00 0.00 H new ATOM 1080 N ILE A 155 -10.011 3.039 -6.783 1.00 0.00 N ATOM 1081 CA ILE A 155 -10.636 2.980 -5.456 1.00 0.00 C ATOM 1082 C ILE A 155 -12.056 2.415 -5.586 1.00 0.00 C ATOM 1083 O ILE A 155 -12.426 1.511 -4.834 1.00 0.00 O ATOM 1084 CB ILE A 155 -10.630 4.375 -4.784 1.00 0.00 C ATOM 1085 CG1 ILE A 155 -9.187 4.753 -4.398 1.00 0.00 C ATOM 1086 CG2 ILE A 155 -11.519 4.369 -3.525 1.00 0.00 C ATOM 1087 CD1 ILE A 155 -9.035 6.187 -3.883 1.00 0.00 C ATOM 0 H ILE A 155 -9.586 3.941 -6.998 1.00 0.00 H new ATOM 0 HA ILE A 155 -10.060 2.315 -4.812 1.00 0.00 H new ATOM 0 HB ILE A 155 -11.025 5.108 -5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -8.835 4.063 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -8.543 4.620 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -11.504 5.357 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -12.542 4.114 -3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -11.141 3.632 -2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -7.991 6.375 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -9.355 6.887 -4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -9.651 6.322 -2.994 1.00 0.00 H new ATOM 1099 N GLN A 156 -12.824 2.954 -6.528 1.00 0.00 N ATOM 1100 CA GLN A 156 -14.201 2.590 -6.814 1.00 0.00 C ATOM 1101 C GLN A 156 -14.341 1.153 -7.323 1.00 0.00 C ATOM 1102 O GLN A 156 -15.033 0.334 -6.723 1.00 0.00 O ATOM 1103 CB GLN A 156 -14.723 3.557 -7.897 1.00 0.00 C ATOM 1104 CG GLN A 156 -14.783 5.017 -7.412 1.00 0.00 C ATOM 1105 CD GLN A 156 -14.879 6.081 -8.507 1.00 0.00 C ATOM 1106 OE1 GLN A 156 -15.270 7.208 -8.219 1.00 0.00 O ATOM 1107 NE2 GLN A 156 -14.521 5.782 -9.745 1.00 0.00 N ATOM 0 H GLN A 156 -12.482 3.694 -7.142 1.00 0.00 H new ATOM 0 HA GLN A 156 -14.773 2.658 -5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -14.078 3.496 -8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -15.718 3.242 -8.211 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -15.643 5.125 -6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -13.894 5.218 -6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -14.198 4.841 -9.969 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -14.568 6.493 -10.475 1.00 0.00 H new ATOM 1116 N GLN A 157 -13.691 0.856 -8.444 1.00 0.00 N ATOM 1117 CA GLN A 157 -13.732 -0.419 -9.141 1.00 0.00 C ATOM 1118 C GLN A 157 -13.005 -1.566 -8.443 1.00 0.00 C ATOM 1119 O GLN A 157 -13.543 -2.673 -8.393 1.00 0.00 O ATOM 1120 CB GLN A 157 -13.167 -0.175 -10.548 1.00 0.00 C ATOM 1121 CG GLN A 157 -13.907 0.938 -11.328 1.00 0.00 C ATOM 1122 CD GLN A 157 -15.230 0.481 -11.914 1.00 0.00 C ATOM 1123 OE1 GLN A 157 -16.126 0.015 -11.211 1.00 0.00 O ATOM 1124 NE2 GLN A 157 -15.388 0.602 -13.216 1.00 0.00 N ATOM 0 H GLN A 157 -13.091 1.535 -8.912 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.768 -0.757 -9.165 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.113 0.090 -10.466 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.220 -1.103 -11.118 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.085 1.782 -10.662 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.265 1.296 -12.133 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -14.637 0.990 -13.787 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -16.261 0.308 -13.653 1.00 0.00 H new ATOM 1133 N MET A 158 -11.795 -1.334 -7.929 1.00 0.00 N ATOM 1134 CA MET A 158 -11.005 -2.362 -7.247 1.00 0.00 C ATOM 1135 C MET A 158 -11.546 -2.723 -5.863 1.00 0.00 C ATOM 1136 O MET A 158 -11.242 -3.805 -5.358 1.00 0.00 O ATOM 1137 CB MET A 158 -9.524 -1.965 -7.142 1.00 0.00 C ATOM 1138 CG MET A 158 -8.840 -1.882 -8.508 1.00 0.00 C ATOM 1139 SD MET A 158 -8.885 -3.414 -9.474 1.00 0.00 S ATOM 1140 CE MET A 158 -8.225 -4.599 -8.291 1.00 0.00 C ATOM 0 H MET A 158 -11.334 -0.425 -7.974 1.00 0.00 H new ATOM 0 HA MET A 158 -11.092 -3.252 -7.871 1.00 0.00 H new ATOM 0 HB2 MET A 158 -9.445 -1.000 -6.641 1.00 0.00 H new ATOM 0 HB3 MET A 158 -9.000 -2.691 -6.521 1.00 0.00 H new ATOM 0 HG2 MET A 158 -9.313 -1.089 -9.088 1.00 0.00 H new ATOM 0 HG3 MET A 158 -7.800 -1.592 -8.361 1.00 0.00 H new ATOM 0 HE1 MET A 158 -7.830 -5.464 -8.824 1.00 0.00 H new ATOM 0 HE2 MET A 158 -7.426 -4.132 -7.715 1.00 0.00 H new ATOM 0 HE3 MET A 158 -9.019 -4.920 -7.616 1.00 0.00 H new ATOM 1150 N GLY A 159 -12.333 -1.853 -5.234 1.00 0.00 N ATOM 1151 CA GLY A 159 -12.902 -2.105 -3.919 1.00 0.00 C ATOM 1152 C GLY A 159 -13.792 -3.345 -3.939 1.00 0.00 C ATOM 1153 O GLY A 159 -14.865 -3.327 -4.542 1.00 0.00 O ATOM 0 H GLY A 159 -12.593 -0.949 -5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -12.101 -2.239 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.483 -1.240 -3.598 1.00 0.00 H new ATOM 1157 N GLY A 160 -13.364 -4.432 -3.293 1.00 0.00 N ATOM 1158 CA GLY A 160 -14.111 -5.682 -3.228 1.00 0.00 C ATOM 1159 C GLY A 160 -13.664 -6.726 -4.255 1.00 0.00 C ATOM 1160 O GLY A 160 -14.210 -7.835 -4.227 1.00 0.00 O ATOM 0 H GLY A 160 -12.475 -4.465 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -14.009 -6.103 -2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -15.170 -5.469 -3.378 1.00 0.00 H new ATOM 1164 N GLN A 161 -12.740 -6.400 -5.168 1.00 0.00 N ATOM 1165 CA GLN A 161 -12.216 -7.325 -6.180 1.00 0.00 C ATOM 1166 C GLN A 161 -11.352 -8.385 -5.487 1.00 0.00 C ATOM 1167 O GLN A 161 -10.985 -8.208 -4.326 1.00 0.00 O ATOM 1168 CB GLN A 161 -11.339 -6.556 -7.185 1.00 0.00 C ATOM 1169 CG GLN A 161 -12.128 -5.669 -8.155 1.00 0.00 C ATOM 1170 CD GLN A 161 -12.943 -6.460 -9.170 1.00 0.00 C ATOM 1171 OE1 GLN A 161 -12.404 -7.210 -9.982 1.00 0.00 O ATOM 1172 NE2 GLN A 161 -14.255 -6.320 -9.172 1.00 0.00 N ATOM 0 H GLN A 161 -12.328 -5.468 -5.225 1.00 0.00 H new ATOM 0 HA GLN A 161 -13.048 -7.795 -6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -10.633 -5.935 -6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -10.752 -7.272 -7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -12.798 -5.025 -7.585 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -11.434 -5.017 -8.686 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -14.703 -5.698 -8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -14.822 -6.834 -9.847 1.00 0.00 H new ATOM 1181 N TRP A 162 -11.011 -9.469 -6.185 1.00 0.00 N ATOM 1182 CA TRP A 162 -10.187 -10.563 -5.669 1.00 0.00 C ATOM 1183 C TRP A 162 -8.794 -10.492 -6.288 1.00 0.00 C ATOM 1184 O TRP A 162 -8.612 -10.851 -7.452 1.00 0.00 O ATOM 1185 CB TRP A 162 -10.828 -11.927 -5.948 1.00 0.00 C ATOM 1186 CG TRP A 162 -11.941 -12.354 -5.046 1.00 0.00 C ATOM 1187 CD1 TRP A 162 -13.158 -11.777 -4.958 1.00 0.00 C ATOM 1188 CD2 TRP A 162 -11.953 -13.447 -4.080 1.00 0.00 C ATOM 1189 NE1 TRP A 162 -13.962 -12.528 -4.131 1.00 0.00 N ATOM 1190 CE2 TRP A 162 -13.252 -13.523 -3.501 1.00 0.00 C ATOM 1191 CE3 TRP A 162 -10.984 -14.350 -3.596 1.00 0.00 C ATOM 1192 CZ2 TRP A 162 -13.580 -14.428 -2.484 1.00 0.00 C ATOM 1193 CZ3 TRP A 162 -11.300 -15.274 -2.581 1.00 0.00 C ATOM 1194 CH2 TRP A 162 -12.589 -15.309 -2.019 1.00 0.00 C ATOM 0 H TRP A 162 -11.308 -9.614 -7.150 1.00 0.00 H new ATOM 0 HA TRP A 162 -10.108 -10.453 -4.587 1.00 0.00 H new ATOM 0 HB2 TRP A 162 -11.205 -11.921 -6.971 1.00 0.00 H new ATOM 0 HB3 TRP A 162 -10.045 -12.684 -5.901 1.00 0.00 H new ATOM 0 HD1 TRP A 162 -13.455 -10.867 -5.459 1.00 0.00 H new ATOM 0 HE1 TRP A 162 -14.961 -12.367 -4.001 1.00 0.00 H new ATOM 0 HE3 TRP A 162 -9.986 -14.333 -4.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 -14.575 -14.448 -2.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 -10.545 -15.962 -2.231 1.00 0.00 H new ATOM 0 HH2 TRP A 162 -12.817 -16.012 -1.231 1.00 0.00 H new ATOM 1205 N LEU A 163 -7.838 -9.932 -5.548 1.00 0.00 N ATOM 1206 CA LEU A 163 -6.462 -9.819 -5.996 1.00 0.00 C ATOM 1207 C LEU A 163 -5.814 -11.139 -5.636 1.00 0.00 C ATOM 1208 O LEU A 163 -5.597 -11.416 -4.450 1.00 0.00 O ATOM 1209 CB LEU A 163 -5.706 -8.670 -5.313 1.00 0.00 C ATOM 1210 CG LEU A 163 -4.188 -8.707 -5.600 1.00 0.00 C ATOM 1211 CD1 LEU A 163 -3.878 -8.742 -7.099 1.00 0.00 C ATOM 1212 CD2 LEU A 163 -3.502 -7.486 -4.994 1.00 0.00 C ATOM 0 H LEU A 163 -8.003 -9.545 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 163 -6.432 -9.602 -7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -6.114 -7.718 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -5.870 -8.720 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 163 -3.810 -9.623 -5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -2.798 -8.767 -7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -4.326 -9.631 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -4.289 -7.852 -7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -2.433 -7.527 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -3.923 -6.579 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -3.659 -7.478 -3.915 1.00 0.00 H new ATOM 1224 N GLY A 164 -5.460 -11.925 -6.642 1.00 0.00 N ATOM 1225 CA GLY A 164 -4.836 -13.195 -6.374 1.00 0.00 C ATOM 1226 C GLY A 164 -5.854 -14.057 -5.632 1.00 0.00 C ATOM 1227 O GLY A 164 -7.018 -14.127 -6.033 1.00 0.00 O ATOM 0 H GLY A 164 -5.594 -11.705 -7.629 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -4.531 -13.676 -7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -3.936 -13.061 -5.774 1.00 0.00 H new ATOM 1231 N GLY A 165 -5.458 -14.651 -4.513 1.00 0.00 N ATOM 1232 CA GLY A 165 -6.325 -15.508 -3.728 1.00 0.00 C ATOM 1233 C GLY A 165 -7.299 -14.832 -2.761 1.00 0.00 C ATOM 1234 O GLY A 165 -7.998 -15.587 -2.091 1.00 0.00 O ATOM 0 H GLY A 165 -4.520 -14.548 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -6.906 -16.121 -4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -5.696 -16.186 -3.152 1.00 0.00 H new ATOM 1238 N ARG A 166 -7.395 -13.496 -2.625 1.00 0.00 N ATOM 1239 CA ARG A 166 -8.326 -12.881 -1.664 1.00 0.00 C ATOM 1240 C ARG A 166 -8.904 -11.552 -2.087 1.00 0.00 C ATOM 1241 O ARG A 166 -8.302 -10.842 -2.892 1.00 0.00 O ATOM 1242 CB ARG A 166 -7.569 -12.609 -0.348 1.00 0.00 C ATOM 1243 CG ARG A 166 -7.929 -13.672 0.671 1.00 0.00 C ATOM 1244 CD ARG A 166 -6.973 -13.667 1.855 1.00 0.00 C ATOM 1245 NE ARG A 166 -7.078 -12.464 2.696 1.00 0.00 N ATOM 1246 CZ ARG A 166 -6.543 -12.363 3.916 1.00 0.00 C ATOM 1247 NH1 ARG A 166 -5.724 -13.310 4.362 1.00 0.00 N ATOM 1248 NH2 ARG A 166 -6.838 -11.317 4.678 1.00 0.00 N ATOM 0 H ARG A 166 -6.844 -12.828 -3.164 1.00 0.00 H new ATOM 0 HA ARG A 166 -9.148 -13.591 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -6.494 -12.611 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -7.826 -11.621 0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -8.947 -13.506 1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -7.913 -14.652 0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -7.165 -14.547 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -5.951 -13.753 1.486 1.00 0.00 H new ATOM 0 HE ARG A 166 -7.588 -11.662 2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -5.504 -14.113 3.773 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -5.315 -13.234 5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -7.470 -10.596 4.331 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -6.432 -11.235 5.610 1.00 0.00 H new ATOM 1262 N GLN A 167 -10.058 -11.217 -1.502 1.00 0.00 N ATOM 1263 CA GLN A 167 -10.716 -9.948 -1.755 1.00 0.00 C ATOM 1264 C GLN A 167 -9.823 -8.836 -1.199 1.00 0.00 C ATOM 1265 O GLN A 167 -8.991 -9.089 -0.329 1.00 0.00 O ATOM 1266 CB GLN A 167 -12.083 -9.866 -1.064 1.00 0.00 C ATOM 1267 CG GLN A 167 -13.210 -10.459 -1.883 1.00 0.00 C ATOM 1268 CD GLN A 167 -14.547 -10.112 -1.252 1.00 0.00 C ATOM 1269 OE1 GLN A 167 -14.933 -10.667 -0.229 1.00 0.00 O ATOM 1270 NE2 GLN A 167 -15.254 -9.143 -1.807 1.00 0.00 N ATOM 0 H GLN A 167 -10.554 -11.819 -0.845 1.00 0.00 H new ATOM 0 HA GLN A 167 -10.874 -9.846 -2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -12.029 -10.384 -0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -12.311 -8.822 -0.849 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -13.170 -10.077 -2.903 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -13.097 -11.541 -1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -14.920 -8.691 -2.658 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -16.134 -8.847 -1.384 1.00 0.00 H new ATOM 1279 N ILE A 168 -10.057 -7.594 -1.617 1.00 0.00 N ATOM 1280 CA ILE A 168 -9.293 -6.438 -1.167 1.00 0.00 C ATOM 1281 C ILE A 168 -10.223 -5.278 -0.824 1.00 0.00 C ATOM 1282 O ILE A 168 -11.405 -5.258 -1.183 1.00 0.00 O ATOM 1283 CB ILE A 168 -8.244 -6.030 -2.228 1.00 0.00 C ATOM 1284 CG1 ILE A 168 -8.928 -5.416 -3.472 1.00 0.00 C ATOM 1285 CG2 ILE A 168 -7.330 -7.215 -2.572 1.00 0.00 C ATOM 1286 CD1 ILE A 168 -7.949 -5.007 -4.561 1.00 0.00 C ATOM 0 H ILE A 168 -10.792 -7.362 -2.286 1.00 0.00 H new ATOM 0 HA ILE A 168 -8.755 -6.710 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 168 -7.604 -5.252 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 168 -9.635 -6.138 -3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 168 -9.505 -4.543 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 168 -6.600 -6.906 -3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 168 -6.811 -7.547 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 168 -7.930 -8.034 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 168 -8.497 -4.584 -5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 168 -7.258 -4.262 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 168 -7.389 -5.881 -4.894 1.00 0.00 H new ATOM 1298 N ARG A 169 -9.653 -4.297 -0.133 1.00 0.00 N ATOM 1299 CA ARG A 169 -10.270 -3.054 0.318 1.00 0.00 C ATOM 1300 C ARG A 169 -9.412 -1.939 -0.267 1.00 0.00 C ATOM 1301 O ARG A 169 -8.197 -2.124 -0.373 1.00 0.00 O ATOM 1302 CB ARG A 169 -10.372 -3.017 1.857 1.00 0.00 C ATOM 1303 CG ARG A 169 -9.052 -3.343 2.576 1.00 0.00 C ATOM 1304 CD ARG A 169 -9.227 -3.598 4.072 1.00 0.00 C ATOM 1305 NE ARG A 169 -9.683 -2.411 4.812 1.00 0.00 N ATOM 1306 CZ ARG A 169 -9.755 -2.346 6.147 1.00 0.00 C ATOM 1307 NH1 ARG A 169 -9.436 -3.388 6.900 1.00 0.00 N ATOM 1308 NH2 ARG A 169 -10.176 -1.238 6.732 1.00 0.00 N ATOM 0 H ARG A 169 -8.674 -4.354 0.148 1.00 0.00 H new ATOM 0 HA ARG A 169 -11.300 -2.946 -0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.708 -2.027 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -11.134 -3.727 2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -8.602 -4.222 2.115 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -8.355 -2.517 2.434 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -9.945 -4.405 4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -8.279 -3.937 4.490 1.00 0.00 H new ATOM 0 HE ARG A 169 -9.961 -1.589 4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -9.130 -4.258 6.464 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -9.497 -3.321 7.916 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -10.446 -0.433 6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -10.231 -1.188 7.749 1.00 0.00 H new ATOM 1322 N THR A 170 -10.000 -0.799 -0.611 1.00 0.00 N ATOM 1323 CA THR A 170 -9.309 0.338 -1.209 1.00 0.00 C ATOM 1324 C THR A 170 -9.798 1.649 -0.598 1.00 0.00 C ATOM 1325 O THR A 170 -10.958 1.758 -0.201 1.00 0.00 O ATOM 1326 CB THR A 170 -9.551 0.334 -2.731 1.00 0.00 C ATOM 1327 OG1 THR A 170 -10.922 0.093 -2.991 1.00 0.00 O ATOM 1328 CG2 THR A 170 -8.751 -0.767 -3.425 1.00 0.00 C ATOM 0 H THR A 170 -10.998 -0.635 -0.478 1.00 0.00 H new ATOM 0 HA THR A 170 -8.241 0.252 -1.010 1.00 0.00 H new ATOM 0 HB THR A 170 -9.237 1.305 -3.113 1.00 0.00 H new ATOM 0 HG1 THR A 170 -11.239 0.716 -3.677 1.00 0.00 H new ATOM 0 HG21 THR A 170 -8.947 -0.739 -4.497 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.687 -0.611 -3.247 1.00 0.00 H new ATOM 0 HG23 THR A 170 -9.047 -1.738 -3.027 1.00 0.00 H new ATOM 1336 N ASN A 171 -8.925 2.657 -0.507 1.00 0.00 N ATOM 1337 CA ASN A 171 -9.270 3.969 0.046 1.00 0.00 C ATOM 1338 C ASN A 171 -8.127 4.941 -0.227 1.00 0.00 C ATOM 1339 O ASN A 171 -7.067 4.523 -0.682 1.00 0.00 O ATOM 1340 CB ASN A 171 -9.400 3.845 1.582 1.00 0.00 C ATOM 1341 CG ASN A 171 -10.135 5.009 2.221 1.00 0.00 C ATOM 1342 OD1 ASN A 171 -11.357 4.968 2.332 1.00 0.00 O ATOM 1343 ND2 ASN A 171 -9.437 6.025 2.707 1.00 0.00 N ATOM 0 H ASN A 171 -7.956 2.585 -0.816 1.00 0.00 H new ATOM 0 HA ASN A 171 -10.199 4.318 -0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -9.923 2.919 1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -8.404 3.770 2.019 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -9.914 6.790 3.183 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -8.422 6.042 2.605 1.00 0.00 H new ATOM 1350 N TRP A 172 -8.296 6.235 0.028 1.00 0.00 N ATOM 1351 CA TRP A 172 -7.216 7.197 -0.146 1.00 0.00 C ATOM 1352 C TRP A 172 -6.201 6.884 0.965 1.00 0.00 C ATOM 1353 O TRP A 172 -6.605 6.603 2.097 1.00 0.00 O ATOM 1354 CB TRP A 172 -7.752 8.628 -0.008 1.00 0.00 C ATOM 1355 CG TRP A 172 -8.611 9.111 -1.138 1.00 0.00 C ATOM 1356 CD1 TRP A 172 -9.878 9.575 -1.036 1.00 0.00 C ATOM 1357 CD2 TRP A 172 -8.253 9.256 -2.545 1.00 0.00 C ATOM 1358 NE1 TRP A 172 -10.328 9.973 -2.280 1.00 0.00 N ATOM 1359 CE2 TRP A 172 -9.329 9.892 -3.224 1.00 0.00 C ATOM 1360 CE3 TRP A 172 -7.115 8.941 -3.315 1.00 0.00 C ATOM 1361 CZ2 TRP A 172 -9.232 10.291 -4.562 1.00 0.00 C ATOM 1362 CZ3 TRP A 172 -7.015 9.315 -4.668 1.00 0.00 C ATOM 1363 CH2 TRP A 172 -8.063 10.015 -5.290 1.00 0.00 C ATOM 0 H TRP A 172 -9.172 6.641 0.356 1.00 0.00 H new ATOM 0 HA TRP A 172 -6.760 7.124 -1.133 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -8.327 8.694 0.915 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -6.905 9.306 0.096 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -10.450 9.626 -0.121 1.00 0.00 H new ATOM 0 HE1 TRP A 172 -11.279 10.287 -2.474 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -6.301 8.400 -2.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 -10.054 10.810 -5.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -6.129 9.063 -5.231 1.00 0.00 H new ATOM 0 HH2 TRP A 172 -7.970 10.337 -6.317 1.00 0.00 H new ATOM 1374 N ALA A 173 -4.899 6.916 0.664 1.00 0.00 N ATOM 1375 CA ALA A 173 -3.845 6.635 1.650 1.00 0.00 C ATOM 1376 C ALA A 173 -3.461 7.864 2.483 1.00 0.00 C ATOM 1377 O ALA A 173 -2.474 7.831 3.222 1.00 0.00 O ATOM 1378 CB ALA A 173 -2.593 6.119 0.944 1.00 0.00 C ATOM 0 H ALA A 173 -4.544 7.137 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.251 5.883 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -1.818 5.914 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -2.831 5.203 0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.235 6.872 0.242 1.00 0.00 H new