USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 593 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 20 SER OG : rot 62:sc= 0.364 USER MOD Set 1.2: A 84 CYS SG : rot -84:sc= 1.22 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0534) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.633 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 23 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.3!) USER MOD Single : A 30 ASN :FLIP amide:sc=-5.47e-05 F(o=-2.6!,f=-5.5e-05) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 41 HIS : no HD1:sc= -0.998 K(o=-1,f=-1.6) USER MOD Single : A 51 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=-0.058) USER MOD Single : A 53 GLN : amide:sc=-0.00366 K(o=-0.0037,f=-1.2) USER MOD Single : A 58 CYS SG : rot 75:sc= 1.24 USER MOD Single : A 61 SER OG : rot 47:sc= -1.1! USER MOD Single : A 63 MET CE :methyl 140:sc= -0.112 (180deg=-0.65) USER MOD Single : A 73 THR OG1 : rot 79:sc= 0.983 USER MOD Single : A 79 SER OG : rot 75:sc= 1.01 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl -160:sc= -0.0951 (180deg=-0.665) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 10 -12.190 9.781 7.595 1.00 0.00 N ATOM 149 CA ASP A 10 -11.541 8.561 8.058 1.00 0.00 C ATOM 150 C ASP A 10 -11.917 7.383 7.177 1.00 0.00 C ATOM 151 O ASP A 10 -13.097 7.086 6.995 1.00 0.00 O ATOM 152 CB ASP A 10 -11.930 8.235 9.505 1.00 0.00 C ATOM 153 CG ASP A 10 -11.607 9.349 10.476 1.00 0.00 C ATOM 154 OD1 ASP A 10 -10.416 9.684 10.635 1.00 0.00 O ATOM 155 OD2 ASP A 10 -12.550 9.882 11.099 1.00 0.00 O ATOM 0 HA ASP A 10 -10.466 8.733 8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.998 8.023 9.548 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.412 7.328 9.818 1.00 0.00 H new ATOM 160 N VAL A 11 -10.916 6.716 6.632 1.00 0.00 N ATOM 161 CA VAL A 11 -11.146 5.505 5.868 1.00 0.00 C ATOM 162 C VAL A 11 -10.282 4.367 6.414 1.00 0.00 C ATOM 163 O VAL A 11 -9.051 4.460 6.471 1.00 0.00 O ATOM 164 CB VAL A 11 -10.893 5.719 4.356 1.00 0.00 C ATOM 165 CG1 VAL A 11 -9.470 6.185 4.089 1.00 0.00 C ATOM 166 CG2 VAL A 11 -11.208 4.452 3.571 1.00 0.00 C ATOM 0 H VAL A 11 -9.937 6.993 6.704 1.00 0.00 H new ATOM 0 HA VAL A 11 -12.196 5.234 5.978 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.565 6.507 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.328 6.325 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.293 7.129 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.767 5.436 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.023 4.625 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.572 3.639 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.254 4.184 3.718 1.00 0.00 H new ATOM 176 N LYS A 12 -10.940 3.311 6.860 1.00 0.00 N ATOM 177 CA LYS A 12 -10.254 2.163 7.427 1.00 0.00 C ATOM 178 C LYS A 12 -10.679 0.909 6.684 1.00 0.00 C ATOM 179 O LYS A 12 -11.667 0.928 5.951 1.00 0.00 O ATOM 180 CB LYS A 12 -10.554 2.056 8.926 1.00 0.00 C ATOM 181 CG LYS A 12 -10.123 3.292 9.705 1.00 0.00 C ATOM 182 CD LYS A 12 -10.501 3.208 11.175 1.00 0.00 C ATOM 183 CE LYS A 12 -10.105 4.479 11.916 1.00 0.00 C ATOM 184 NZ LYS A 12 -10.472 4.430 13.355 1.00 0.00 N ATOM 0 H LYS A 12 -11.956 3.225 6.840 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.176 2.283 7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.623 1.898 9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.046 1.181 9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.044 3.417 9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.583 4.176 9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.575 3.048 11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.010 2.349 11.632 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.030 4.631 11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.590 5.336 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.183 5.316 13.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.501 4.311 13.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.989 3.629 13.809 1.00 0.00 H new ATOM 198 N TRP A 13 -9.942 -0.170 6.860 1.00 0.00 N ATOM 199 CA TRP A 13 -10.174 -1.363 6.072 1.00 0.00 C ATOM 200 C TRP A 13 -11.044 -2.377 6.785 1.00 0.00 C ATOM 201 O TRP A 13 -10.966 -2.546 8.003 1.00 0.00 O ATOM 202 CB TRP A 13 -8.856 -2.013 5.667 1.00 0.00 C ATOM 203 CG TRP A 13 -8.501 -1.733 4.248 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.252 -2.042 3.154 1.00 0.00 C ATOM 205 CD2 TRP A 13 -7.314 -1.104 3.762 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.617 -1.629 2.017 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.418 -1.055 2.360 1.00 0.00 C ATOM 208 CE3 TRP A 13 -6.173 -0.576 4.373 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -6.424 -0.496 1.561 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -5.187 -0.023 3.579 1.00 0.00 C ATOM 211 CH2 TRP A 13 -5.318 0.012 2.185 1.00 0.00 C ATOM 0 H TRP A 13 -9.183 -0.245 7.537 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.710 -1.039 5.180 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.060 -1.650 6.317 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.924 -3.091 5.817 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.210 -2.541 3.182 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.976 -1.731 1.068 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.064 -0.600 5.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.523 -0.465 0.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -4.301 0.389 4.040 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.529 0.449 1.591 1.00 0.00 H new ATOM 222 N GLU A 14 -11.877 -3.044 6.000 1.00 0.00 N ATOM 223 CA GLU A 14 -12.668 -4.163 6.488 1.00 0.00 C ATOM 224 C GLU A 14 -11.803 -5.412 6.510 1.00 0.00 C ATOM 225 O GLU A 14 -12.054 -6.357 7.261 1.00 0.00 O ATOM 226 CB GLU A 14 -13.881 -4.392 5.589 1.00 0.00 C ATOM 227 CG GLU A 14 -14.877 -3.249 5.598 1.00 0.00 C ATOM 228 CD GLU A 14 -16.048 -3.503 4.677 1.00 0.00 C ATOM 229 OE1 GLU A 14 -16.405 -4.683 4.471 1.00 0.00 O ATOM 230 OE2 GLU A 14 -16.628 -2.526 4.162 1.00 0.00 O ATOM 0 H GLU A 14 -12.023 -2.827 5.014 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.021 -3.939 7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.538 -4.554 4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.387 -5.305 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.242 -3.096 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.374 -2.329 5.298 1.00 0.00 H new ATOM 237 N LYS A 15 -10.788 -5.404 5.661 1.00 0.00 N ATOM 238 CA LYS A 15 -9.816 -6.479 5.602 1.00 0.00 C ATOM 239 C LYS A 15 -8.415 -5.891 5.737 1.00 0.00 C ATOM 240 O LYS A 15 -7.918 -5.253 4.807 1.00 0.00 O ATOM 241 CB LYS A 15 -9.922 -7.267 4.285 1.00 0.00 C ATOM 242 CG LYS A 15 -11.249 -7.985 4.065 1.00 0.00 C ATOM 243 CD LYS A 15 -12.328 -7.048 3.541 1.00 0.00 C ATOM 244 CE LYS A 15 -13.601 -7.800 3.190 1.00 0.00 C ATOM 245 NZ LYS A 15 -14.214 -8.456 4.376 1.00 0.00 N ATOM 0 H LYS A 15 -10.616 -4.651 4.994 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.018 -7.170 6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.756 -6.580 3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.119 -8.003 4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.105 -8.803 3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.580 -8.429 5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.548 -6.290 4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.959 -6.525 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.319 -7.109 2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.379 -8.554 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.122 -8.884 4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.575 -9.195 4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.374 -7.748 5.121 1.00 0.00 H new ATOM 259 N PRO A 16 -7.780 -6.072 6.904 1.00 0.00 N ATOM 260 CA PRO A 16 -6.449 -5.520 7.186 1.00 0.00 C ATOM 261 C PRO A 16 -5.407 -5.951 6.158 1.00 0.00 C ATOM 262 O PRO A 16 -5.391 -7.101 5.724 1.00 0.00 O ATOM 263 CB PRO A 16 -6.108 -6.093 8.564 1.00 0.00 C ATOM 264 CG PRO A 16 -7.424 -6.410 9.180 1.00 0.00 C ATOM 265 CD PRO A 16 -8.311 -6.834 8.046 1.00 0.00 C ATOM 0 HA PRO A 16 -6.448 -4.431 7.150 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.486 -6.984 8.479 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.553 -5.373 9.165 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.329 -7.204 9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.835 -5.542 9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.258 -7.909 7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.356 -6.593 8.240 1.00 0.00 H new ATOM 273 N VAL A 17 -4.537 -5.032 5.774 1.00 0.00 N ATOM 274 CA VAL A 17 -3.546 -5.304 4.744 1.00 0.00 C ATOM 275 C VAL A 17 -2.212 -5.694 5.367 1.00 0.00 C ATOM 276 O VAL A 17 -1.618 -4.923 6.119 1.00 0.00 O ATOM 277 CB VAL A 17 -3.345 -4.089 3.812 1.00 0.00 C ATOM 278 CG1 VAL A 17 -2.280 -4.376 2.762 1.00 0.00 C ATOM 279 CG2 VAL A 17 -4.661 -3.711 3.148 1.00 0.00 C ATOM 0 H VAL A 17 -4.496 -4.089 6.160 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.923 -6.136 4.149 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.003 -3.249 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.159 -3.504 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.334 -4.598 3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.585 -5.232 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.505 -2.853 2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.027 -4.553 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.394 -3.455 3.913 1.00 0.00 H new ATOM 289 N THR A 18 -1.762 -6.899 5.062 1.00 0.00 N ATOM 290 CA THR A 18 -0.510 -7.409 5.589 1.00 0.00 C ATOM 291 C THR A 18 0.621 -7.237 4.576 1.00 0.00 C ATOM 292 O THR A 18 0.664 -7.922 3.554 1.00 0.00 O ATOM 293 CB THR A 18 -0.648 -8.896 5.965 1.00 0.00 C ATOM 294 OG1 THR A 18 -1.746 -9.062 6.870 1.00 0.00 O ATOM 295 CG2 THR A 18 0.625 -9.420 6.611 1.00 0.00 C ATOM 0 H THR A 18 -2.252 -7.547 4.446 1.00 0.00 H new ATOM 0 HA THR A 18 -0.267 -6.835 6.483 1.00 0.00 H new ATOM 0 HB THR A 18 -0.828 -9.464 5.052 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.834 -10.009 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.497 -10.472 6.865 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.457 -9.313 5.915 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.834 -8.851 7.517 1.00 0.00 H new ATOM 303 N ILE A 19 1.524 -6.312 4.861 1.00 0.00 N ATOM 304 CA ILE A 19 2.670 -6.073 4.004 1.00 0.00 C ATOM 305 C ILE A 19 3.892 -6.791 4.554 1.00 0.00 C ATOM 306 O ILE A 19 4.368 -6.486 5.647 1.00 0.00 O ATOM 307 CB ILE A 19 2.971 -4.563 3.862 1.00 0.00 C ATOM 308 CG1 ILE A 19 1.915 -3.895 2.980 1.00 0.00 C ATOM 309 CG2 ILE A 19 4.366 -4.330 3.291 1.00 0.00 C ATOM 310 CD1 ILE A 19 1.938 -4.375 1.549 1.00 0.00 C ATOM 0 H ILE A 19 1.483 -5.712 5.685 1.00 0.00 H new ATOM 0 HA ILE A 19 2.430 -6.463 3.015 1.00 0.00 H new ATOM 0 HB ILE A 19 2.937 -4.116 4.855 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.928 -4.083 3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.069 -2.816 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.549 -3.259 3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.109 -4.772 3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.438 -4.793 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.164 -3.860 0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.913 -4.163 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.754 -5.449 1.523 1.00 0.00 H new ATOM 322 N SER A 20 4.372 -7.767 3.811 1.00 0.00 N ATOM 323 CA SER A 20 5.565 -8.489 4.189 1.00 0.00 C ATOM 324 C SER A 20 6.806 -7.703 3.792 1.00 0.00 C ATOM 325 O SER A 20 7.137 -7.599 2.610 1.00 0.00 O ATOM 326 CB SER A 20 5.561 -9.867 3.533 1.00 0.00 C ATOM 327 OG SER A 20 5.018 -9.798 2.225 1.00 0.00 O ATOM 0 H SER A 20 3.949 -8.079 2.936 1.00 0.00 H new ATOM 0 HA SER A 20 5.580 -8.618 5.271 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.578 -10.258 3.490 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.978 -10.562 4.138 1.00 0.00 H new ATOM 0 HG SER A 20 5.577 -9.215 1.669 1.00 0.00 H new ATOM 333 N LEU A 21 7.475 -7.127 4.782 1.00 0.00 N ATOM 334 CA LEU A 21 8.666 -6.328 4.533 1.00 0.00 C ATOM 335 C LEU A 21 9.822 -7.215 4.087 1.00 0.00 C ATOM 336 O LEU A 21 9.766 -8.441 4.222 1.00 0.00 O ATOM 337 CB LEU A 21 9.064 -5.550 5.790 1.00 0.00 C ATOM 338 CG LEU A 21 7.957 -4.691 6.400 1.00 0.00 C ATOM 339 CD1 LEU A 21 8.458 -3.984 7.649 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.456 -3.681 5.384 1.00 0.00 C ATOM 0 H LEU A 21 7.213 -7.199 5.765 1.00 0.00 H new ATOM 0 HA LEU A 21 8.438 -5.619 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.409 -6.259 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.910 -4.906 5.547 1.00 0.00 H new ATOM 0 HG LEU A 21 7.129 -5.341 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.656 -3.377 8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.776 -4.724 8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.301 -3.343 7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.668 -3.075 5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.279 -3.036 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.061 -4.205 4.514 1.00 0.00 H new ATOM 352 N GLN A 22 10.879 -6.591 3.584 1.00 0.00 N ATOM 353 CA GLN A 22 12.050 -7.323 3.106 1.00 0.00 C ATOM 354 C GLN A 22 12.760 -8.043 4.250 1.00 0.00 C ATOM 355 O GLN A 22 13.593 -8.916 4.022 1.00 0.00 O ATOM 356 CB GLN A 22 13.014 -6.375 2.394 1.00 0.00 C ATOM 357 CG GLN A 22 12.452 -5.804 1.104 1.00 0.00 C ATOM 358 CD GLN A 22 13.432 -4.895 0.390 1.00 0.00 C ATOM 359 OE1 GLN A 22 14.249 -4.225 1.018 1.00 0.00 O ATOM 360 NE2 GLN A 22 13.363 -4.873 -0.930 1.00 0.00 N ATOM 0 H GLN A 22 10.952 -5.577 3.495 1.00 0.00 H new ATOM 0 HA GLN A 22 11.708 -8.077 2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.269 -5.555 3.066 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.940 -6.907 2.175 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.173 -6.623 0.441 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.541 -5.247 1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.670 -5.444 -1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.003 -4.285 -1.464 1.00 0.00 H new ATOM 369 N ASN A 23 12.405 -7.689 5.479 1.00 0.00 N ATOM 370 CA ASN A 23 12.965 -8.335 6.661 1.00 0.00 C ATOM 371 C ASN A 23 12.198 -9.613 6.990 1.00 0.00 C ATOM 372 O ASN A 23 12.425 -10.234 8.028 1.00 0.00 O ATOM 373 CB ASN A 23 12.920 -7.396 7.875 1.00 0.00 C ATOM 374 CG ASN A 23 13.773 -6.151 7.714 1.00 0.00 C ATOM 375 OD1 ASN A 23 13.910 -5.607 6.619 1.00 0.00 O ATOM 376 ND2 ASN A 23 14.361 -5.698 8.809 1.00 0.00 N ATOM 0 H ASN A 23 11.728 -6.954 5.684 1.00 0.00 H new ATOM 0 HA ASN A 23 14.003 -8.581 6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.887 -7.098 8.054 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.252 -7.942 8.758 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.953 -4.869 8.764 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.222 -6.178 9.698 1.00 0.00 H new ATOM 383 N GLY A 24 11.276 -9.989 6.111 1.00 0.00 N ATOM 384 CA GLY A 24 10.464 -11.168 6.342 1.00 0.00 C ATOM 385 C GLY A 24 9.472 -10.950 7.464 1.00 0.00 C ATOM 386 O GLY A 24 9.138 -11.876 8.202 1.00 0.00 O ATOM 0 H GLY A 24 11.076 -9.497 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.929 -11.427 5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.109 -12.013 6.585 1.00 0.00 H new ATOM 390 N ALA A 25 9.002 -9.718 7.588 1.00 0.00 N ATOM 391 CA ALA A 25 8.099 -9.350 8.665 1.00 0.00 C ATOM 392 C ALA A 25 6.763 -8.864 8.117 1.00 0.00 C ATOM 393 O ALA A 25 6.712 -7.887 7.369 1.00 0.00 O ATOM 394 CB ALA A 25 8.731 -8.276 9.537 1.00 0.00 C ATOM 0 H ALA A 25 9.233 -8.954 6.953 1.00 0.00 H new ATOM 0 HA ALA A 25 7.915 -10.237 9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.044 -8.009 10.340 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.660 -8.654 9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.942 -7.394 8.932 1.00 0.00 H new ATOM 400 N PRO A 26 5.671 -9.558 8.462 1.00 0.00 N ATOM 401 CA PRO A 26 4.316 -9.163 8.075 1.00 0.00 C ATOM 402 C PRO A 26 3.812 -7.979 8.896 1.00 0.00 C ATOM 403 O PRO A 26 3.525 -8.111 10.084 1.00 0.00 O ATOM 404 CB PRO A 26 3.468 -10.411 8.368 1.00 0.00 C ATOM 405 CG PRO A 26 4.437 -11.492 8.728 1.00 0.00 C ATOM 406 CD PRO A 26 5.663 -10.799 9.240 1.00 0.00 C ATOM 0 HA PRO A 26 4.270 -8.842 7.034 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.769 -10.225 9.184 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.875 -10.693 7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.018 -12.154 9.486 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.672 -12.109 7.861 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.603 -10.607 10.311 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.564 -11.390 9.072 1.00 0.00 H new ATOM 414 N ARG A 27 3.723 -6.822 8.260 1.00 0.00 N ATOM 415 CA ARG A 27 3.253 -5.621 8.927 1.00 0.00 C ATOM 416 C ARG A 27 1.812 -5.340 8.517 1.00 0.00 C ATOM 417 O ARG A 27 1.536 -5.018 7.361 1.00 0.00 O ATOM 418 CB ARG A 27 4.161 -4.442 8.574 1.00 0.00 C ATOM 419 CG ARG A 27 4.085 -3.289 9.557 1.00 0.00 C ATOM 420 CD ARG A 27 5.162 -2.255 9.276 1.00 0.00 C ATOM 421 NE ARG A 27 5.277 -1.269 10.349 1.00 0.00 N ATOM 422 CZ ARG A 27 6.440 -0.809 10.808 1.00 0.00 C ATOM 423 NH1 ARG A 27 7.582 -1.286 10.324 1.00 0.00 N ATOM 424 NH2 ARG A 27 6.461 0.120 11.753 1.00 0.00 N ATOM 0 H ARG A 27 3.971 -6.690 7.279 1.00 0.00 H new ATOM 0 HA ARG A 27 3.284 -5.765 10.007 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.191 -4.793 8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.897 -4.078 7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.103 -2.820 9.497 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.196 -3.666 10.574 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.120 -2.758 9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.937 -1.745 8.339 1.00 0.00 H new ATOM 0 HE ARG A 27 4.419 -0.913 10.770 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.569 -2.005 9.600 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.472 -0.933 10.676 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.586 0.484 12.130 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.352 0.471 12.103 1.00 0.00 H new ATOM 438 N ILE A 28 0.897 -5.479 9.464 1.00 0.00 N ATOM 439 CA ILE A 28 -0.529 -5.392 9.174 1.00 0.00 C ATOM 440 C ILE A 28 -1.066 -3.984 9.417 1.00 0.00 C ATOM 441 O ILE A 28 -0.861 -3.402 10.483 1.00 0.00 O ATOM 442 CB ILE A 28 -1.327 -6.395 10.036 1.00 0.00 C ATOM 443 CG1 ILE A 28 -0.787 -7.814 9.829 1.00 0.00 C ATOM 444 CG2 ILE A 28 -2.809 -6.332 9.693 1.00 0.00 C ATOM 445 CD1 ILE A 28 -1.466 -8.859 10.689 1.00 0.00 C ATOM 0 H ILE A 28 1.116 -5.653 10.445 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.655 -5.638 8.120 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.208 -6.126 11.086 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.905 -8.088 8.781 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.282 -7.820 10.042 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.356 -7.045 10.310 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.184 -5.326 9.882 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.950 -6.579 8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.030 -9.837 10.486 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.327 -8.611 11.741 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.531 -8.882 10.460 1.00 0.00 H new ATOM 457 N PHE A 29 -1.749 -3.443 8.418 1.00 0.00 N ATOM 458 CA PHE A 29 -2.382 -2.136 8.535 1.00 0.00 C ATOM 459 C PHE A 29 -3.892 -2.307 8.651 1.00 0.00 C ATOM 460 O PHE A 29 -4.475 -3.175 8.001 1.00 0.00 O ATOM 461 CB PHE A 29 -2.048 -1.265 7.322 1.00 0.00 C ATOM 462 CG PHE A 29 -0.585 -1.243 6.988 1.00 0.00 C ATOM 463 CD1 PHE A 29 0.309 -0.514 7.758 1.00 0.00 C ATOM 464 CD2 PHE A 29 -0.102 -1.968 5.914 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.658 -0.506 7.453 1.00 0.00 C ATOM 466 CE2 PHE A 29 1.241 -1.964 5.608 1.00 0.00 C ATOM 467 CZ PHE A 29 2.123 -1.237 6.376 1.00 0.00 C ATOM 0 H PHE A 29 -1.880 -3.892 7.512 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.003 -1.642 9.429 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.605 -1.629 6.458 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.385 -0.246 7.512 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.052 0.053 8.604 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.786 -2.544 5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.346 0.070 8.054 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.603 -2.532 4.764 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.176 -1.238 6.137 1.00 0.00 H new ATOM 477 N ASN A 30 -4.517 -1.491 9.486 1.00 0.00 N ATOM 478 CA ASN A 30 -5.956 -1.592 9.729 1.00 0.00 C ATOM 479 C ASN A 30 -6.697 -0.447 9.052 1.00 0.00 C ATOM 480 O ASN A 30 -7.901 -0.531 8.796 1.00 0.00 O ATOM 481 CB ASN A 30 -6.255 -1.579 11.234 1.00 0.00 C ATOM 482 CG ASN A 30 -5.964 -2.901 11.925 1.00 0.00 C ATOM 483 OD1 ASN A 30 -5.024 -3.668 11.396 1.00 0.00 O flip ATOM 484 ND2 ASN A 30 -6.581 -3.228 12.938 1.00 0.00 N flip ATOM 0 H ASN A 30 -4.053 -0.749 10.010 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.300 -2.537 9.308 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.664 -0.794 11.706 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.304 -1.323 11.385 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.299 -2.612 13.319 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.374 -4.115 13.397 1.00 0.00 H new ATOM 491 N GLY A 31 -5.972 0.623 8.766 1.00 0.00 N ATOM 492 CA GLY A 31 -6.564 1.774 8.130 1.00 0.00 C ATOM 493 C GLY A 31 -5.788 2.187 6.905 1.00 0.00 C ATOM 494 O GLY A 31 -4.602 1.877 6.785 1.00 0.00 O ATOM 0 H GLY A 31 -4.976 0.712 8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.593 1.548 7.851 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.600 2.603 8.836 1.00 0.00 H new ATOM 498 N VAL A 32 -6.445 2.896 6.000 1.00 0.00 N ATOM 499 CA VAL A 32 -5.815 3.295 4.751 1.00 0.00 C ATOM 500 C VAL A 32 -4.717 4.327 5.001 1.00 0.00 C ATOM 501 O VAL A 32 -3.720 4.372 4.281 1.00 0.00 O ATOM 502 CB VAL A 32 -6.849 3.852 3.750 1.00 0.00 C ATOM 503 CG1 VAL A 32 -6.185 4.217 2.432 1.00 0.00 C ATOM 504 CG2 VAL A 32 -7.962 2.839 3.520 1.00 0.00 C ATOM 0 H VAL A 32 -7.411 3.206 6.106 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.365 2.403 4.314 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.282 4.757 4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.934 4.607 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.422 4.976 2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.722 3.330 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.684 3.246 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.539 1.918 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.461 2.626 4.465 1.00 0.00 H new ATOM 514 N TYR A 33 -4.887 5.138 6.042 1.00 0.00 N ATOM 515 CA TYR A 33 -3.884 6.138 6.383 1.00 0.00 C ATOM 516 C TYR A 33 -2.559 5.475 6.748 1.00 0.00 C ATOM 517 O TYR A 33 -1.500 5.946 6.346 1.00 0.00 O ATOM 518 CB TYR A 33 -4.347 7.039 7.533 1.00 0.00 C ATOM 519 CG TYR A 33 -3.317 8.086 7.902 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.141 9.219 7.116 1.00 0.00 C ATOM 521 CD2 TYR A 33 -2.511 7.934 9.023 1.00 0.00 C ATOM 522 CE1 TYR A 33 -2.188 10.167 7.434 1.00 0.00 C ATOM 523 CE2 TYR A 33 -1.559 8.881 9.351 1.00 0.00 C ATOM 524 CZ TYR A 33 -1.402 9.994 8.553 1.00 0.00 C ATOM 525 OH TYR A 33 -0.444 10.932 8.869 1.00 0.00 O ATOM 0 H TYR A 33 -5.701 5.122 6.657 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.741 6.761 5.500 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.277 7.533 7.251 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.564 6.424 8.407 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.760 9.360 6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.630 7.062 9.649 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.059 11.039 6.809 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.942 8.750 10.227 1.00 0.00 H new ATOM 0 HH TYR A 33 0.022 10.661 9.688 1.00 0.00 H new ATOM 535 N GLU A 34 -2.627 4.373 7.498 1.00 0.00 N ATOM 536 CA GLU A 34 -1.424 3.643 7.900 1.00 0.00 C ATOM 537 C GLU A 34 -0.661 3.175 6.670 1.00 0.00 C ATOM 538 O GLU A 34 0.565 3.264 6.607 1.00 0.00 O ATOM 539 CB GLU A 34 -1.783 2.429 8.760 1.00 0.00 C ATOM 540 CG GLU A 34 -2.491 2.769 10.059 1.00 0.00 C ATOM 541 CD GLU A 34 -2.847 1.528 10.850 1.00 0.00 C ATOM 542 OE1 GLU A 34 -3.809 0.839 10.469 1.00 0.00 O ATOM 543 OE2 GLU A 34 -2.157 1.225 11.846 1.00 0.00 O ATOM 0 H GLU A 34 -3.499 3.968 7.838 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.801 4.319 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.418 1.762 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.870 1.880 8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.852 3.413 10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.398 3.333 9.841 1.00 0.00 H new ATOM 550 N ALA A 35 -1.408 2.685 5.692 1.00 0.00 N ATOM 551 CA ALA A 35 -0.830 2.210 4.448 1.00 0.00 C ATOM 552 C ALA A 35 -0.193 3.362 3.674 1.00 0.00 C ATOM 553 O ALA A 35 0.945 3.261 3.221 1.00 0.00 O ATOM 554 CB ALA A 35 -1.900 1.515 3.619 1.00 0.00 C ATOM 0 H ALA A 35 -2.424 2.607 5.739 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.042 1.491 4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.463 1.159 2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.301 0.669 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.704 2.218 3.399 1.00 0.00 H new ATOM 560 N PHE A 36 -0.932 4.463 3.549 1.00 0.00 N ATOM 561 CA PHE A 36 -0.439 5.650 2.856 1.00 0.00 C ATOM 562 C PHE A 36 0.810 6.202 3.540 1.00 0.00 C ATOM 563 O PHE A 36 1.811 6.498 2.883 1.00 0.00 O ATOM 564 CB PHE A 36 -1.531 6.727 2.808 1.00 0.00 C ATOM 565 CG PHE A 36 -1.093 8.002 2.140 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.071 8.104 0.758 1.00 0.00 C ATOM 567 CD2 PHE A 36 -0.698 9.093 2.897 1.00 0.00 C ATOM 568 CE1 PHE A 36 -0.662 9.271 0.143 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.285 10.262 2.287 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.267 10.352 0.908 1.00 0.00 C ATOM 0 H PHE A 36 -1.877 4.557 3.920 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.175 5.364 1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.398 6.330 2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.852 6.952 3.825 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.377 7.262 0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.713 9.029 3.975 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.651 9.339 -0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.024 11.105 2.888 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.055 11.265 0.429 1.00 0.00 H new ATOM 580 N ASP A 37 0.740 6.339 4.860 1.00 0.00 N ATOM 581 CA ASP A 37 1.858 6.849 5.647 1.00 0.00 C ATOM 582 C ASP A 37 3.087 5.973 5.444 1.00 0.00 C ATOM 583 O ASP A 37 4.181 6.469 5.179 1.00 0.00 O ATOM 584 CB ASP A 37 1.481 6.903 7.134 1.00 0.00 C ATOM 585 CG ASP A 37 2.597 7.452 8.002 1.00 0.00 C ATOM 586 OD1 ASP A 37 2.670 8.690 8.172 1.00 0.00 O ATOM 587 OD2 ASP A 37 3.407 6.649 8.515 1.00 0.00 O ATOM 0 H ASP A 37 -0.085 6.102 5.411 1.00 0.00 H new ATOM 0 HA ASP A 37 2.091 7.859 5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.593 7.522 7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.221 5.901 7.475 1.00 0.00 H new ATOM 592 N PHE A 38 2.884 4.666 5.533 1.00 0.00 N ATOM 593 CA PHE A 38 3.950 3.695 5.332 1.00 0.00 C ATOM 594 C PHE A 38 4.619 3.882 3.968 1.00 0.00 C ATOM 595 O PHE A 38 5.847 3.928 3.874 1.00 0.00 O ATOM 596 CB PHE A 38 3.378 2.281 5.462 1.00 0.00 C ATOM 597 CG PHE A 38 4.323 1.190 5.052 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.439 0.892 5.816 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.086 0.458 3.903 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.300 -0.119 5.439 1.00 0.00 C ATOM 601 CE2 PHE A 38 4.943 -0.553 3.522 1.00 0.00 C ATOM 602 CZ PHE A 38 6.052 -0.840 4.287 1.00 0.00 C ATOM 0 H PHE A 38 1.978 4.250 5.746 1.00 0.00 H new ATOM 0 HA PHE A 38 4.713 3.849 6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.080 2.117 6.497 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.475 2.210 4.855 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.638 1.456 6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.220 0.681 3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.166 -0.346 6.043 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.745 -1.120 2.624 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.727 -1.628 3.987 1.00 0.00 H new ATOM 612 N LEU A 39 3.803 4.011 2.924 1.00 0.00 N ATOM 613 CA LEU A 39 4.305 4.174 1.560 1.00 0.00 C ATOM 614 C LEU A 39 5.162 5.426 1.428 1.00 0.00 C ATOM 615 O LEU A 39 6.199 5.416 0.764 1.00 0.00 O ATOM 616 CB LEU A 39 3.146 4.257 0.564 1.00 0.00 C ATOM 617 CG LEU A 39 2.253 3.022 0.485 1.00 0.00 C ATOM 618 CD1 LEU A 39 1.086 3.280 -0.453 1.00 0.00 C ATOM 619 CD2 LEU A 39 3.047 1.809 0.027 1.00 0.00 C ATOM 0 H LEU A 39 2.786 4.006 2.997 1.00 0.00 H new ATOM 0 HA LEU A 39 4.919 3.301 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.527 5.115 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.556 4.451 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 39 1.863 2.814 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.455 2.392 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.500 4.121 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.464 3.512 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.390 0.941 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.468 2.001 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.854 1.614 0.734 1.00 0.00 H new ATOM 631 N GLN A 40 4.723 6.506 2.057 1.00 0.00 N ATOM 632 CA GLN A 40 5.408 7.783 1.941 1.00 0.00 C ATOM 633 C GLN A 40 6.632 7.842 2.853 1.00 0.00 C ATOM 634 O GLN A 40 7.594 8.560 2.572 1.00 0.00 O ATOM 635 CB GLN A 40 4.443 8.928 2.266 1.00 0.00 C ATOM 636 CG GLN A 40 5.015 10.313 2.003 1.00 0.00 C ATOM 637 CD GLN A 40 4.062 11.427 2.395 1.00 0.00 C ATOM 638 OE1 GLN A 40 2.844 11.266 2.342 1.00 0.00 O ATOM 639 NE2 GLN A 40 4.605 12.569 2.787 1.00 0.00 N ATOM 0 H GLN A 40 3.895 6.523 2.653 1.00 0.00 H new ATOM 0 HA GLN A 40 5.755 7.890 0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.535 8.803 1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.153 8.859 3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.947 10.427 2.556 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.259 10.405 0.945 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.620 12.667 2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.009 13.351 3.057 1.00 0.00 H new ATOM 648 N HIS A 41 6.598 7.083 3.938 1.00 0.00 N ATOM 649 CA HIS A 41 7.716 7.054 4.872 1.00 0.00 C ATOM 650 C HIS A 41 8.833 6.156 4.362 1.00 0.00 C ATOM 651 O HIS A 41 9.930 6.631 4.075 1.00 0.00 O ATOM 652 CB HIS A 41 7.266 6.597 6.262 1.00 0.00 C ATOM 653 CG HIS A 41 6.612 7.672 7.075 1.00 0.00 C ATOM 654 ND1 HIS A 41 7.026 8.013 8.338 1.00 0.00 N ATOM 655 CD2 HIS A 41 5.544 8.457 6.811 1.00 0.00 C ATOM 656 CE1 HIS A 41 6.240 8.956 8.820 1.00 0.00 C ATOM 657 NE2 HIS A 41 5.324 9.248 7.912 1.00 0.00 N ATOM 0 H HIS A 41 5.814 6.482 4.193 1.00 0.00 H new ATOM 0 HA HIS A 41 8.099 8.071 4.952 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.570 5.765 6.152 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.131 6.219 6.807 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.967 8.461 5.898 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.330 9.414 9.794 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.582 9.941 8.012 1.00 0.00 H new ATOM 666 N GLU A 42 8.557 4.865 4.234 1.00 0.00 N ATOM 667 CA GLU A 42 9.583 3.924 3.821 1.00 0.00 C ATOM 668 C GLU A 42 8.977 2.738 3.069 1.00 0.00 C ATOM 669 O GLU A 42 8.726 1.678 3.642 1.00 0.00 O ATOM 670 CB GLU A 42 10.388 3.445 5.034 1.00 0.00 C ATOM 671 CG GLU A 42 11.615 2.623 4.673 1.00 0.00 C ATOM 672 CD GLU A 42 12.499 2.339 5.870 1.00 0.00 C ATOM 673 OE1 GLU A 42 13.400 3.157 6.154 1.00 0.00 O ATOM 674 OE2 GLU A 42 12.306 1.298 6.533 1.00 0.00 O ATOM 0 H GLU A 42 7.641 4.451 4.409 1.00 0.00 H new ATOM 0 HA GLU A 42 10.258 4.439 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.702 4.312 5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.739 2.849 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.298 1.680 4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.193 3.153 3.917 1.00 0.00 H new ATOM 681 N TRP A 43 8.700 2.950 1.791 1.00 0.00 N ATOM 682 CA TRP A 43 8.282 1.871 0.909 1.00 0.00 C ATOM 683 C TRP A 43 9.511 1.299 0.198 1.00 0.00 C ATOM 684 O TRP A 43 10.142 1.990 -0.603 1.00 0.00 O ATOM 685 CB TRP A 43 7.251 2.402 -0.098 1.00 0.00 C ATOM 686 CG TRP A 43 6.749 1.385 -1.079 1.00 0.00 C ATOM 687 CD1 TRP A 43 6.722 1.515 -2.436 1.00 0.00 C ATOM 688 CD2 TRP A 43 6.199 0.092 -0.790 1.00 0.00 C ATOM 689 NE1 TRP A 43 6.189 0.388 -3.009 1.00 0.00 N ATOM 690 CE2 TRP A 43 5.863 -0.501 -2.020 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.959 -0.623 0.386 1.00 0.00 C ATOM 692 CZ2 TRP A 43 5.300 -1.773 -2.107 1.00 0.00 C ATOM 693 CZ3 TRP A 43 5.401 -1.885 0.299 1.00 0.00 C ATOM 694 CH2 TRP A 43 5.078 -2.448 -0.939 1.00 0.00 C ATOM 0 H TRP A 43 8.758 3.863 1.340 1.00 0.00 H new ATOM 0 HA TRP A 43 7.813 1.072 1.484 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.401 2.806 0.452 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.696 3.230 -0.650 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.070 2.380 -2.981 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.057 0.237 -4.009 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.205 -0.197 1.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.048 -2.210 -3.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.212 -2.445 1.203 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.644 -3.436 -0.974 1.00 0.00 H new ATOM 705 N PRO A 44 9.883 0.037 0.507 1.00 0.00 N ATOM 706 CA PRO A 44 11.105 -0.611 -0.018 1.00 0.00 C ATOM 707 C PRO A 44 11.063 -0.925 -1.522 1.00 0.00 C ATOM 708 O PRO A 44 11.788 -1.800 -1.998 1.00 0.00 O ATOM 709 CB PRO A 44 11.190 -1.924 0.777 1.00 0.00 C ATOM 710 CG PRO A 44 10.247 -1.762 1.920 1.00 0.00 C ATOM 711 CD PRO A 44 9.163 -0.853 1.431 1.00 0.00 C ATOM 0 HA PRO A 44 11.961 0.054 0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.912 -2.776 0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.206 -2.104 1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.840 -2.724 2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.753 -1.336 2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.369 -1.404 0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.699 -0.300 2.247 1.00 0.00 H new ATOM 719 N ALA A 45 10.229 -0.213 -2.260 1.00 0.00 N ATOM 720 CA ALA A 45 10.165 -0.360 -3.708 1.00 0.00 C ATOM 721 C ALA A 45 10.121 1.015 -4.357 1.00 0.00 C ATOM 722 O ALA A 45 9.172 1.775 -4.158 1.00 0.00 O ATOM 723 CB ALA A 45 8.958 -1.190 -4.118 1.00 0.00 C ATOM 0 H ALA A 45 9.582 0.478 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 45 11.057 -0.886 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.933 -1.285 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.028 -2.181 -3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.046 -0.700 -3.776 1.00 0.00 H new ATOM 729 N ARG A 46 11.150 1.342 -5.120 1.00 0.00 N ATOM 730 CA ARG A 46 11.266 2.675 -5.686 1.00 0.00 C ATOM 731 C ARG A 46 10.992 2.675 -7.181 1.00 0.00 C ATOM 732 O ARG A 46 11.110 1.650 -7.856 1.00 0.00 O ATOM 733 CB ARG A 46 12.654 3.258 -5.427 1.00 0.00 C ATOM 734 CG ARG A 46 13.057 3.278 -3.963 1.00 0.00 C ATOM 735 CD ARG A 46 14.392 3.978 -3.772 1.00 0.00 C ATOM 736 NE ARG A 46 15.390 3.519 -4.736 1.00 0.00 N ATOM 737 CZ ARG A 46 16.434 2.752 -4.428 1.00 0.00 C ATOM 738 NH1 ARG A 46 16.634 2.369 -3.173 1.00 0.00 N ATOM 739 NH2 ARG A 46 17.280 2.376 -5.379 1.00 0.00 N ATOM 0 H ARG A 46 11.912 0.708 -5.361 1.00 0.00 H new ATOM 0 HA ARG A 46 10.516 3.295 -5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.389 2.680 -5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.687 4.276 -5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.290 3.786 -3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 46 13.121 2.257 -3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.256 5.055 -3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.755 3.798 -2.760 1.00 0.00 H new ATOM 0 HE ARG A 46 15.280 3.805 -5.709 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.987 2.662 -2.441 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.435 1.781 -2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.130 2.675 -6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.081 1.789 -5.146 1.00 0.00 H new ATOM 753 N GLY A 47 10.618 3.839 -7.676 1.00 0.00 N ATOM 754 CA GLY A 47 10.415 4.039 -9.090 1.00 0.00 C ATOM 755 C GLY A 47 9.768 5.378 -9.344 1.00 0.00 C ATOM 756 O GLY A 47 10.446 6.406 -9.325 1.00 0.00 O ATOM 0 H GLY A 47 10.448 4.668 -7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.370 3.985 -9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.787 3.243 -9.490 1.00 0.00 H new ATOM 760 N ASP A 48 8.452 5.362 -9.535 1.00 0.00 N ATOM 761 CA ASP A 48 7.654 6.585 -9.672 1.00 0.00 C ATOM 762 C ASP A 48 6.209 6.227 -9.999 1.00 0.00 C ATOM 763 O ASP A 48 5.287 6.693 -9.340 1.00 0.00 O ATOM 764 CB ASP A 48 8.223 7.540 -10.742 1.00 0.00 C ATOM 765 CG ASP A 48 8.068 7.042 -12.165 1.00 0.00 C ATOM 766 OD1 ASP A 48 8.359 5.854 -12.423 1.00 0.00 O ATOM 767 OD2 ASP A 48 7.679 7.848 -13.037 1.00 0.00 O ATOM 0 H ASP A 48 7.905 4.503 -9.600 1.00 0.00 H new ATOM 0 HA ASP A 48 7.695 7.111 -8.718 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.727 8.506 -10.651 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.281 7.705 -10.540 1.00 0.00 H new ATOM 772 N ARG A 49 6.026 5.370 -10.996 1.00 0.00 N ATOM 773 CA ARG A 49 4.697 4.963 -11.433 1.00 0.00 C ATOM 774 C ARG A 49 3.936 4.239 -10.326 1.00 0.00 C ATOM 775 O ARG A 49 2.951 4.761 -9.809 1.00 0.00 O ATOM 776 CB ARG A 49 4.800 4.094 -12.689 1.00 0.00 C ATOM 777 CG ARG A 49 5.166 4.895 -13.931 1.00 0.00 C ATOM 778 CD ARG A 49 5.487 4.005 -15.124 1.00 0.00 C ATOM 779 NE ARG A 49 6.755 3.292 -14.964 1.00 0.00 N ATOM 780 CZ ARG A 49 7.953 3.833 -15.196 1.00 0.00 C ATOM 781 NH1 ARG A 49 8.057 5.094 -15.604 1.00 0.00 N ATOM 782 NH2 ARG A 49 9.046 3.100 -15.027 1.00 0.00 N ATOM 0 H ARG A 49 6.788 4.941 -11.521 1.00 0.00 H new ATOM 0 HA ARG A 49 4.130 5.862 -11.674 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.549 3.318 -12.528 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.848 3.589 -12.855 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.340 5.558 -14.188 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.026 5.527 -13.711 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.682 3.283 -15.262 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.527 4.614 -16.027 1.00 0.00 H new ATOM 0 HE ARG A 49 6.721 2.320 -14.656 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.217 5.656 -15.742 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.977 5.499 -15.779 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.967 2.130 -14.722 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.965 3.507 -15.202 1.00 0.00 H new ATOM 796 N ALA A 50 4.405 3.055 -9.941 1.00 0.00 N ATOM 797 CA ALA A 50 3.719 2.264 -8.920 1.00 0.00 C ATOM 798 C ALA A 50 3.652 3.012 -7.593 1.00 0.00 C ATOM 799 O ALA A 50 2.669 2.909 -6.859 1.00 0.00 O ATOM 800 CB ALA A 50 4.410 0.925 -8.733 1.00 0.00 C ATOM 0 H ALA A 50 5.250 2.624 -10.316 1.00 0.00 H new ATOM 0 HA ALA A 50 2.699 2.091 -9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.887 0.349 -7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.399 0.375 -9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.441 1.088 -8.421 1.00 0.00 H new ATOM 806 N HIS A 51 4.695 3.781 -7.306 1.00 0.00 N ATOM 807 CA HIS A 51 4.767 4.542 -6.067 1.00 0.00 C ATOM 808 C HIS A 51 3.669 5.605 -6.042 1.00 0.00 C ATOM 809 O HIS A 51 2.979 5.774 -5.037 1.00 0.00 O ATOM 810 CB HIS A 51 6.151 5.190 -5.926 1.00 0.00 C ATOM 811 CG HIS A 51 6.478 5.661 -4.537 1.00 0.00 C ATOM 812 ND1 HIS A 51 7.259 4.931 -3.661 1.00 0.00 N ATOM 813 CD2 HIS A 51 6.141 6.795 -3.875 1.00 0.00 C ATOM 814 CE1 HIS A 51 7.383 5.595 -2.526 1.00 0.00 C ATOM 815 NE2 HIS A 51 6.716 6.728 -2.630 1.00 0.00 N ATOM 0 H HIS A 51 5.504 3.894 -7.917 1.00 0.00 H new ATOM 0 HA HIS A 51 4.615 3.867 -5.225 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.908 4.472 -6.241 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.213 6.038 -6.608 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.533 7.602 -4.256 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.937 5.266 -1.659 1.00 0.00 H new ATOM 0 HE2 HIS A 51 6.640 7.439 -1.903 1.00 0.00 H new ATOM 824 N GLU A 52 3.505 6.304 -7.161 1.00 0.00 N ATOM 825 CA GLU A 52 2.478 7.328 -7.290 1.00 0.00 C ATOM 826 C GLU A 52 1.084 6.712 -7.259 1.00 0.00 C ATOM 827 O GLU A 52 0.195 7.206 -6.561 1.00 0.00 O ATOM 828 CB GLU A 52 2.662 8.105 -8.593 1.00 0.00 C ATOM 829 CG GLU A 52 1.563 9.119 -8.854 1.00 0.00 C ATOM 830 CD GLU A 52 1.664 9.754 -10.221 1.00 0.00 C ATOM 831 OE1 GLU A 52 1.061 9.217 -11.173 1.00 0.00 O ATOM 832 OE2 GLU A 52 2.328 10.804 -10.341 1.00 0.00 O ATOM 0 H GLU A 52 4.076 6.177 -7.997 1.00 0.00 H new ATOM 0 HA GLU A 52 2.579 8.009 -6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.622 8.620 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.701 7.401 -9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.594 8.630 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.605 9.898 -8.093 1.00 0.00 H new ATOM 839 N GLN A 53 0.898 5.639 -8.027 1.00 0.00 N ATOM 840 CA GLN A 53 -0.393 4.961 -8.111 1.00 0.00 C ATOM 841 C GLN A 53 -0.883 4.568 -6.722 1.00 0.00 C ATOM 842 O GLN A 53 -1.999 4.910 -6.333 1.00 0.00 O ATOM 843 CB GLN A 53 -0.292 3.720 -9.005 1.00 0.00 C ATOM 844 CG GLN A 53 0.115 4.033 -10.435 1.00 0.00 C ATOM 845 CD GLN A 53 0.315 2.788 -11.277 1.00 0.00 C ATOM 846 OE1 GLN A 53 0.664 1.723 -10.766 1.00 0.00 O ATOM 847 NE2 GLN A 53 0.111 2.914 -12.578 1.00 0.00 N ATOM 0 H GLN A 53 1.629 5.220 -8.602 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.112 5.651 -8.552 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.432 3.029 -8.573 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.255 3.209 -9.013 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.649 4.659 -10.896 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.039 4.612 -10.426 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.178 3.813 -12.964 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.242 2.112 -13.195 1.00 0.00 H new ATOM 856 N ALA A 54 -0.024 3.887 -5.969 1.00 0.00 N ATOM 857 CA ALA A 54 -0.366 3.429 -4.628 1.00 0.00 C ATOM 858 C ALA A 54 -0.746 4.597 -3.717 1.00 0.00 C ATOM 859 O ALA A 54 -1.703 4.505 -2.947 1.00 0.00 O ATOM 860 CB ALA A 54 0.790 2.644 -4.029 1.00 0.00 C ATOM 0 H ALA A 54 0.919 3.640 -6.268 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.235 2.776 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.521 2.308 -3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.006 1.779 -4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.672 3.281 -3.973 1.00 0.00 H new ATOM 866 N LEU A 55 -0.001 5.693 -3.819 1.00 0.00 N ATOM 867 CA LEU A 55 -0.266 6.873 -3.005 1.00 0.00 C ATOM 868 C LEU A 55 -1.601 7.508 -3.378 1.00 0.00 C ATOM 869 O LEU A 55 -2.392 7.863 -2.504 1.00 0.00 O ATOM 870 CB LEU A 55 0.853 7.903 -3.167 1.00 0.00 C ATOM 871 CG LEU A 55 2.215 7.495 -2.602 1.00 0.00 C ATOM 872 CD1 LEU A 55 3.246 8.576 -2.875 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.113 7.229 -1.108 1.00 0.00 C ATOM 0 H LEU A 55 0.790 5.788 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.309 6.552 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.971 8.121 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.542 8.829 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 55 2.533 6.577 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.210 8.271 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.339 8.727 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.931 9.507 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.091 6.940 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.775 8.132 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.400 6.424 -0.930 1.00 0.00 H new ATOM 885 N ARG A 56 -1.854 7.643 -4.675 1.00 0.00 N ATOM 886 CA ARG A 56 -3.077 8.285 -5.142 1.00 0.00 C ATOM 887 C ARG A 56 -4.300 7.456 -4.761 1.00 0.00 C ATOM 888 O ARG A 56 -5.347 8.004 -4.431 1.00 0.00 O ATOM 889 CB ARG A 56 -3.042 8.504 -6.657 1.00 0.00 C ATOM 890 CG ARG A 56 -4.168 9.396 -7.161 1.00 0.00 C ATOM 891 CD ARG A 56 -4.038 9.697 -8.645 1.00 0.00 C ATOM 892 NE ARG A 56 -4.361 8.545 -9.485 1.00 0.00 N ATOM 893 CZ ARG A 56 -4.329 8.568 -10.815 1.00 0.00 C ATOM 894 NH1 ARG A 56 -3.931 9.659 -11.457 1.00 0.00 N ATOM 895 NH2 ARG A 56 -4.689 7.499 -11.512 1.00 0.00 N ATOM 0 H ARG A 56 -1.234 7.319 -5.417 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.147 9.258 -4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.085 8.948 -6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.100 7.538 -7.159 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.126 8.911 -6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.168 10.331 -6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.698 10.526 -8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.020 10.022 -8.858 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.626 7.674 -9.025 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.648 10.486 -10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.908 9.671 -12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.992 6.654 -11.029 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.663 7.522 -12.531 1.00 0.00 H new ATOM 909 N LEU A 57 -4.151 6.138 -4.798 1.00 0.00 N ATOM 910 CA LEU A 57 -5.229 5.232 -4.414 1.00 0.00 C ATOM 911 C LEU A 57 -5.636 5.464 -2.964 1.00 0.00 C ATOM 912 O LEU A 57 -6.820 5.625 -2.662 1.00 0.00 O ATOM 913 CB LEU A 57 -4.795 3.778 -4.608 1.00 0.00 C ATOM 914 CG LEU A 57 -4.542 3.364 -6.060 1.00 0.00 C ATOM 915 CD1 LEU A 57 -3.920 1.979 -6.118 1.00 0.00 C ATOM 916 CD2 LEU A 57 -5.837 3.400 -6.856 1.00 0.00 C ATOM 0 H LEU A 57 -3.293 5.671 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.088 5.434 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.884 3.607 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.563 3.127 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.844 4.073 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.747 1.701 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.971 1.983 -5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.595 1.258 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.639 3.103 -7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.556 2.712 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.245 4.411 -6.842 1.00 0.00 H new ATOM 928 N CYS A 58 -4.648 5.504 -2.077 1.00 0.00 N ATOM 929 CA CYS A 58 -4.902 5.709 -0.657 1.00 0.00 C ATOM 930 C CYS A 58 -5.442 7.117 -0.401 1.00 0.00 C ATOM 931 O CYS A 58 -6.213 7.343 0.534 1.00 0.00 O ATOM 932 CB CYS A 58 -3.622 5.485 0.144 1.00 0.00 C ATOM 933 SG CYS A 58 -2.817 3.900 -0.185 1.00 0.00 S ATOM 0 H CYS A 58 -3.663 5.397 -2.317 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.653 4.988 -0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.921 6.290 -0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.855 5.549 1.207 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.220 3.948 -1.339 1.00 0.00 H new ATOM 939 N ARG A 59 -5.032 8.054 -1.242 1.00 0.00 N ATOM 940 CA ARG A 59 -5.516 9.425 -1.163 1.00 0.00 C ATOM 941 C ARG A 59 -6.975 9.503 -1.609 1.00 0.00 C ATOM 942 O ARG A 59 -7.779 10.215 -1.009 1.00 0.00 O ATOM 943 CB ARG A 59 -4.626 10.329 -2.024 1.00 0.00 C ATOM 944 CG ARG A 59 -5.153 11.741 -2.223 1.00 0.00 C ATOM 945 CD ARG A 59 -4.106 12.613 -2.894 1.00 0.00 C ATOM 946 NE ARG A 59 -4.667 13.844 -3.439 1.00 0.00 N ATOM 947 CZ ARG A 59 -4.401 15.060 -2.967 1.00 0.00 C ATOM 948 NH1 ARG A 59 -3.722 15.211 -1.838 1.00 0.00 N ATOM 949 NH2 ARG A 59 -4.844 16.132 -3.608 1.00 0.00 N ATOM 0 H ARG A 59 -4.361 7.889 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.468 9.768 -0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.639 10.386 -1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.497 9.864 -3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.057 11.715 -2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.429 12.171 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.328 12.861 -2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.629 12.049 -3.696 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.304 13.768 -4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.399 14.392 -1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.523 16.147 -1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.389 16.026 -4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.640 17.063 -3.246 1.00 0.00 H new ATOM 963 N ALA A 60 -7.313 8.745 -2.643 1.00 0.00 N ATOM 964 CA ALA A 60 -8.671 8.721 -3.167 1.00 0.00 C ATOM 965 C ALA A 60 -9.642 8.133 -2.148 1.00 0.00 C ATOM 966 O ALA A 60 -10.770 8.605 -2.012 1.00 0.00 O ATOM 967 CB ALA A 60 -8.722 7.934 -4.467 1.00 0.00 C ATOM 0 H ALA A 60 -6.661 8.136 -3.138 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.975 9.748 -3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.744 7.925 -4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.066 8.402 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.393 6.911 -4.286 1.00 0.00 H new ATOM 973 N SER A 61 -9.204 7.109 -1.427 1.00 0.00 N ATOM 974 CA SER A 61 -10.024 6.516 -0.378 1.00 0.00 C ATOM 975 C SER A 61 -10.275 7.513 0.756 1.00 0.00 C ATOM 976 O SER A 61 -11.357 7.537 1.339 1.00 0.00 O ATOM 977 CB SER A 61 -9.365 5.242 0.148 1.00 0.00 C ATOM 978 OG SER A 61 -7.958 5.318 0.030 1.00 0.00 O ATOM 0 H SER A 61 -8.290 6.673 -1.548 1.00 0.00 H new ATOM 0 HA SER A 61 -10.992 6.254 -0.804 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.639 5.090 1.192 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.735 4.380 -0.407 1.00 0.00 H new ATOM 0 HG SER A 61 -7.647 6.182 0.373 1.00 0.00 H new ATOM 984 N LEU A 62 -9.284 8.357 1.040 1.00 0.00 N ATOM 985 CA LEU A 62 -9.436 9.405 2.050 1.00 0.00 C ATOM 986 C LEU A 62 -10.436 10.461 1.587 1.00 0.00 C ATOM 987 O LEU A 62 -10.968 11.226 2.388 1.00 0.00 O ATOM 988 CB LEU A 62 -8.089 10.067 2.351 1.00 0.00 C ATOM 989 CG LEU A 62 -7.142 9.256 3.238 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.758 9.886 3.255 1.00 0.00 C ATOM 991 CD2 LEU A 62 -7.692 9.164 4.656 1.00 0.00 C ATOM 0 H LEU A 62 -8.370 8.337 0.587 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.812 8.938 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.586 10.274 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.275 11.028 2.831 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.063 8.250 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.098 9.296 3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.358 9.912 2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.825 10.902 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.007 8.584 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.796 10.166 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.666 8.676 4.637 1.00 0.00 H new ATOM 1003 N MET A 63 -10.680 10.497 0.286 1.00 0.00 N ATOM 1004 CA MET A 63 -11.642 11.425 -0.291 1.00 0.00 C ATOM 1005 C MET A 63 -12.996 10.745 -0.464 1.00 0.00 C ATOM 1006 O MET A 63 -13.933 11.333 -1.003 1.00 0.00 O ATOM 1007 CB MET A 63 -11.144 11.942 -1.643 1.00 0.00 C ATOM 1008 CG MET A 63 -9.821 12.688 -1.562 1.00 0.00 C ATOM 1009 SD MET A 63 -9.246 13.274 -3.168 1.00 0.00 S ATOM 1010 CE MET A 63 -10.570 14.400 -3.605 1.00 0.00 C ATOM 0 H MET A 63 -10.222 9.890 -0.394 1.00 0.00 H new ATOM 0 HA MET A 63 -11.753 12.270 0.389 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.035 11.100 -2.326 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.898 12.603 -2.070 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.930 13.538 -0.888 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.066 12.032 -1.129 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.151 15.290 -4.075 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.251 13.909 -4.301 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.115 14.687 -2.706 1.00 0.00 H new ATOM 1020 N GLY A 64 -13.092 9.500 -0.008 1.00 0.00 N ATOM 1021 CA GLY A 64 -14.332 8.753 -0.117 1.00 0.00 C ATOM 1022 C GLY A 64 -14.604 8.292 -1.533 1.00 0.00 C ATOM 1023 O GLY A 64 -15.756 8.130 -1.932 1.00 0.00 O ATOM 0 H GLY A 64 -12.328 8.992 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.290 7.886 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.159 9.375 0.225 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.545 8.090 -2.301 1.00 0.00 N ATOM 1028 CA ASP A 65 -13.682 7.652 -3.685 1.00 0.00 C ATOM 1029 C ASP A 65 -13.476 6.144 -3.777 1.00 0.00 C ATOM 1030 O ASP A 65 -14.358 5.407 -4.216 1.00 0.00 O ATOM 1031 CB ASP A 65 -12.666 8.377 -4.569 1.00 0.00 C ATOM 1032 CG ASP A 65 -13.092 8.439 -6.021 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -13.239 7.379 -6.659 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -13.289 9.563 -6.532 1.00 0.00 O ATOM 0 H ASP A 65 -12.582 8.221 -1.992 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.686 7.893 -4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.522 9.390 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.703 7.871 -4.499 1.00 0.00 H new ATOM 1039 N VAL A 66 -12.308 5.695 -3.337 1.00 0.00 N ATOM 1040 CA VAL A 66 -11.975 4.276 -3.339 1.00 0.00 C ATOM 1041 C VAL A 66 -12.455 3.617 -2.048 1.00 0.00 C ATOM 1042 O VAL A 66 -12.180 4.108 -0.954 1.00 0.00 O ATOM 1043 CB VAL A 66 -10.453 4.062 -3.503 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -10.093 2.590 -3.423 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -9.976 4.653 -4.820 1.00 0.00 C ATOM 0 H VAL A 66 -11.570 6.297 -2.972 1.00 0.00 H new ATOM 0 HA VAL A 66 -12.481 3.814 -4.187 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.950 4.575 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.016 2.472 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.397 2.193 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.607 2.046 -4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.902 4.495 -4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.495 4.166 -5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.189 5.722 -4.837 1.00 0.00 H new ATOM 1055 N ALA A 67 -13.172 2.506 -2.177 1.00 0.00 N ATOM 1056 CA ALA A 67 -13.784 1.861 -1.025 1.00 0.00 C ATOM 1057 C ALA A 67 -13.213 0.469 -0.760 1.00 0.00 C ATOM 1058 O ALA A 67 -13.322 -0.427 -1.599 1.00 0.00 O ATOM 1059 CB ALA A 67 -15.291 1.777 -1.222 1.00 0.00 C ATOM 0 H ALA A 67 -13.342 2.036 -3.066 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.555 2.472 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -15.745 1.293 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -15.700 2.781 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -15.509 1.196 -2.118 1.00 0.00 H new ATOM 1065 N GLY A 68 -12.579 0.326 0.405 1.00 0.00 N ATOM 1066 CA GLY A 68 -12.199 -0.979 0.944 1.00 0.00 C ATOM 1067 C GLY A 68 -11.488 -1.901 -0.031 1.00 0.00 C ATOM 1068 O GLY A 68 -10.298 -1.734 -0.306 1.00 0.00 O ATOM 0 H GLY A 68 -12.315 1.111 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.553 -0.823 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.097 -1.481 1.304 1.00 0.00 H new ATOM 1072 N GLU A 69 -12.235 -2.876 -0.545 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.690 -3.931 -1.402 1.00 0.00 C ATOM 1074 C GLU A 69 -10.999 -3.375 -2.643 1.00 0.00 C ATOM 1075 O GLU A 69 -10.031 -3.961 -3.131 1.00 0.00 O ATOM 1076 CB GLU A 69 -12.805 -4.893 -1.812 1.00 0.00 C ATOM 1077 CG GLU A 69 -13.171 -5.895 -0.732 1.00 0.00 C ATOM 1078 CD GLU A 69 -12.128 -6.985 -0.572 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -11.120 -6.760 0.127 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -12.322 -8.081 -1.144 1.00 0.00 O ATOM 0 H GLU A 69 -13.238 -2.958 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.934 -4.462 -0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.692 -4.317 -2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.497 -5.433 -2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.294 -5.373 0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.132 -6.349 -0.973 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.487 -2.248 -3.145 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.879 -1.617 -4.307 1.00 0.00 C ATOM 1089 C ILE A 70 -9.432 -1.247 -4.004 1.00 0.00 C ATOM 1090 O ILE A 70 -8.523 -1.552 -4.774 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.650 -0.354 -4.740 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -13.127 -0.683 -4.983 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -11.023 0.239 -5.993 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -13.963 0.526 -5.346 1.00 0.00 C ATOM 0 H ILE A 70 -12.297 -1.755 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.915 -2.335 -5.126 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.591 0.382 -3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.200 -1.419 -5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.540 -1.145 -4.086 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.576 1.130 -6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.986 0.506 -5.790 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.057 -0.494 -6.799 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.997 0.219 -5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.920 1.254 -4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -13.575 0.976 -6.260 1.00 0.00 H new ATOM 1106 N ALA A 71 -9.225 -0.619 -2.851 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.893 -0.217 -2.428 1.00 0.00 C ATOM 1108 C ALA A 71 -7.065 -1.436 -2.048 1.00 0.00 C ATOM 1109 O ALA A 71 -5.870 -1.492 -2.317 1.00 0.00 O ATOM 1110 CB ALA A 71 -7.973 0.755 -1.259 1.00 0.00 C ATOM 0 H ALA A 71 -9.966 -0.378 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.406 0.287 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.966 1.044 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.530 1.642 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.480 0.276 -0.421 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.723 -2.418 -1.438 1.00 0.00 N ATOM 1117 CA ARG A 72 -7.070 -3.664 -1.039 1.00 0.00 C ATOM 1118 C ARG A 72 -6.461 -4.376 -2.250 1.00 0.00 C ATOM 1119 O ARG A 72 -5.264 -4.679 -2.267 1.00 0.00 O ATOM 1120 CB ARG A 72 -8.081 -4.573 -0.312 1.00 0.00 C ATOM 1121 CG ARG A 72 -7.795 -6.070 -0.423 1.00 0.00 C ATOM 1122 CD ARG A 72 -6.496 -6.483 0.259 1.00 0.00 C ATOM 1123 NE ARG A 72 -6.638 -6.650 1.707 1.00 0.00 N ATOM 1124 CZ ARG A 72 -6.916 -7.817 2.294 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -7.302 -8.859 1.567 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -6.857 -7.933 3.614 1.00 0.00 N ATOM 0 H ARG A 72 -8.716 -2.375 -1.207 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.255 -3.430 -0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.101 -4.299 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.076 -4.377 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.623 -6.626 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.750 -6.348 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.145 -7.419 -0.176 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.732 -5.732 0.059 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.518 -5.829 2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.388 -8.771 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.513 -9.748 2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.598 -7.129 4.186 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.070 -8.826 4.057 1.00 0.00 H new ATOM 1140 N THR A 73 -7.277 -4.619 -3.262 1.00 0.00 N ATOM 1141 CA THR A 73 -6.841 -5.361 -4.435 1.00 0.00 C ATOM 1142 C THR A 73 -5.809 -4.563 -5.240 1.00 0.00 C ATOM 1143 O THR A 73 -4.856 -5.124 -5.790 1.00 0.00 O ATOM 1144 CB THR A 73 -8.045 -5.718 -5.328 1.00 0.00 C ATOM 1145 OG1 THR A 73 -9.114 -6.222 -4.513 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.663 -6.767 -6.363 1.00 0.00 C ATOM 0 H THR A 73 -8.249 -4.312 -3.295 1.00 0.00 H new ATOM 0 HA THR A 73 -6.371 -6.282 -4.091 1.00 0.00 H new ATOM 0 HB THR A 73 -8.366 -4.816 -5.849 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.580 -5.474 -4.085 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.530 -7.002 -6.980 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.862 -6.381 -6.994 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.323 -7.671 -5.857 1.00 0.00 H new ATOM 1154 N ALA A 74 -5.989 -3.249 -5.281 1.00 0.00 N ATOM 1155 CA ALA A 74 -5.084 -2.375 -6.015 1.00 0.00 C ATOM 1156 C ALA A 74 -3.745 -2.233 -5.295 1.00 0.00 C ATOM 1157 O ALA A 74 -2.698 -2.123 -5.932 1.00 0.00 O ATOM 1158 CB ALA A 74 -5.723 -1.012 -6.227 1.00 0.00 C ATOM 0 H ALA A 74 -6.755 -2.765 -4.813 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.892 -2.828 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.035 -0.369 -6.777 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.646 -1.127 -6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.947 -0.561 -5.260 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.784 -2.244 -3.967 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.573 -2.135 -3.159 1.00 0.00 C ATOM 1166 C PHE A 75 -1.662 -3.329 -3.421 1.00 0.00 C ATOM 1167 O PHE A 75 -0.441 -3.187 -3.536 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.936 -2.068 -1.671 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.891 -1.410 -0.816 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -0.852 -2.145 -0.267 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.953 -0.051 -0.559 1.00 0.00 C ATOM 1172 CE1 PHE A 75 0.104 -1.534 0.519 1.00 0.00 C ATOM 1173 CE2 PHE A 75 -0.999 0.563 0.227 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.031 -0.179 0.767 1.00 0.00 C ATOM 0 H PHE A 75 -4.644 -2.328 -3.425 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.047 -1.221 -3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.875 -1.526 -1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.107 -3.080 -1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.790 -3.206 -0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.757 0.535 -0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.910 -2.117 0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.059 1.624 0.419 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.778 0.300 1.382 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.268 -4.507 -3.530 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.531 -5.724 -3.843 1.00 0.00 C ATOM 1186 C VAL A 76 -0.943 -5.647 -5.251 1.00 0.00 C ATOM 1187 O VAL A 76 0.179 -6.091 -5.491 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.431 -6.975 -3.719 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -1.674 -8.235 -4.115 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -2.971 -7.106 -2.303 1.00 0.00 C ATOM 0 H VAL A 76 -3.271 -4.644 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.720 -5.812 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.271 -6.854 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.331 -9.100 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.338 -8.148 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.810 -8.361 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.602 -7.992 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.140 -7.198 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.558 -6.222 -2.054 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.699 -5.056 -6.171 1.00 0.00 N ATOM 1201 CA ALA A 77 -1.247 -4.885 -7.549 1.00 0.00 C ATOM 1202 C ALA A 77 -0.025 -3.971 -7.620 1.00 0.00 C ATOM 1203 O ALA A 77 0.885 -4.196 -8.416 1.00 0.00 O ATOM 1204 CB ALA A 77 -2.373 -4.332 -8.413 1.00 0.00 C ATOM 0 H ALA A 77 -2.631 -4.686 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.958 -5.864 -7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.020 -4.210 -9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.215 -5.024 -8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.691 -3.366 -8.022 1.00 0.00 H new ATOM 1210 N ALA A 78 -0.006 -2.943 -6.779 1.00 0.00 N ATOM 1211 CA ALA A 78 1.122 -2.019 -6.731 1.00 0.00 C ATOM 1212 C ALA A 78 2.337 -2.681 -6.090 1.00 0.00 C ATOM 1213 O ALA A 78 3.468 -2.518 -6.550 1.00 0.00 O ATOM 1214 CB ALA A 78 0.737 -0.755 -5.974 1.00 0.00 C ATOM 0 H ALA A 78 -0.757 -2.728 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 78 1.387 -1.745 -7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.588 -0.074 -5.946 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.099 -0.270 -6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.446 -1.015 -4.956 1.00 0.00 H new ATOM 1220 N SER A 79 2.089 -3.455 -5.044 1.00 0.00 N ATOM 1221 CA SER A 79 3.156 -4.129 -4.315 1.00 0.00 C ATOM 1222 C SER A 79 3.679 -5.333 -5.103 1.00 0.00 C ATOM 1223 O SER A 79 4.716 -5.915 -4.770 1.00 0.00 O ATOM 1224 CB SER A 79 2.640 -4.569 -2.945 1.00 0.00 C ATOM 1225 OG SER A 79 2.046 -3.480 -2.254 1.00 0.00 O ATOM 0 H SER A 79 1.154 -3.633 -4.679 1.00 0.00 H new ATOM 0 HA SER A 79 3.984 -3.433 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.910 -5.369 -3.067 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.462 -4.974 -2.355 1.00 0.00 H new ATOM 0 HG SER A 79 1.168 -3.285 -2.644 1.00 0.00 H new ATOM 1231 N ARG A 80 2.964 -5.687 -6.165 1.00 0.00 N ATOM 1232 CA ARG A 80 3.318 -6.828 -6.998 1.00 0.00 C ATOM 1233 C ARG A 80 4.663 -6.608 -7.691 1.00 0.00 C ATOM 1234 O ARG A 80 5.370 -7.563 -8.010 1.00 0.00 O ATOM 1235 CB ARG A 80 2.212 -7.069 -8.029 1.00 0.00 C ATOM 1236 CG ARG A 80 2.424 -8.288 -8.909 1.00 0.00 C ATOM 1237 CD ARG A 80 1.256 -8.482 -9.858 1.00 0.00 C ATOM 1238 NE ARG A 80 1.459 -9.614 -10.761 1.00 0.00 N ATOM 1239 CZ ARG A 80 0.469 -10.299 -11.332 1.00 0.00 C ATOM 1240 NH1 ARG A 80 -0.796 -9.976 -11.090 1.00 0.00 N ATOM 1241 NH2 ARG A 80 0.750 -11.306 -12.152 1.00 0.00 N ATOM 0 H ARG A 80 2.126 -5.193 -6.471 1.00 0.00 H new ATOM 0 HA ARG A 80 3.416 -7.709 -6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.262 -7.176 -7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.128 -6.188 -8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.346 -8.174 -9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.543 -9.175 -8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.344 -8.638 -9.282 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.111 -7.574 -10.443 1.00 0.00 H new ATOM 0 HE ARG A 80 2.417 -9.897 -10.966 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.014 -9.200 -10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.550 -10.504 -11.530 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.721 -11.553 -12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.005 -11.832 -12.591 1.00 0.00 H new ATOM 1255 N GLN A 81 5.026 -5.345 -7.893 1.00 0.00 N ATOM 1256 CA GLN A 81 6.290 -5.003 -8.539 1.00 0.00 C ATOM 1257 C GLN A 81 7.474 -5.438 -7.674 1.00 0.00 C ATOM 1258 O GLN A 81 8.558 -5.726 -8.183 1.00 0.00 O ATOM 1259 CB GLN A 81 6.352 -3.495 -8.818 1.00 0.00 C ATOM 1260 CG GLN A 81 7.596 -3.060 -9.585 1.00 0.00 C ATOM 1261 CD GLN A 81 7.604 -1.576 -9.902 1.00 0.00 C ATOM 1262 OE1 GLN A 81 6.556 -0.957 -10.078 1.00 0.00 O ATOM 1263 NE2 GLN A 81 8.788 -0.993 -9.981 1.00 0.00 N ATOM 0 H GLN A 81 4.462 -4.540 -7.619 1.00 0.00 H new ATOM 0 HA GLN A 81 6.349 -5.536 -9.488 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.467 -3.203 -9.384 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.315 -2.958 -7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.482 -3.306 -9.000 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.660 -3.626 -10.515 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.636 -1.539 -9.829 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.853 0.002 -10.194 1.00 0.00 H new ATOM 1272 N ALA A 82 7.255 -5.506 -6.365 1.00 0.00 N ATOM 1273 CA ALA A 82 8.303 -5.910 -5.434 1.00 0.00 C ATOM 1274 C ALA A 82 8.337 -7.427 -5.275 1.00 0.00 C ATOM 1275 O ALA A 82 9.356 -7.994 -4.883 1.00 0.00 O ATOM 1276 CB ALA A 82 8.097 -5.235 -4.088 1.00 0.00 C ATOM 0 H ALA A 82 6.361 -5.287 -5.925 1.00 0.00 H new ATOM 0 HA ALA A 82 9.264 -5.594 -5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.885 -5.544 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.130 -4.153 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.128 -5.523 -3.681 1.00 0.00 H new ATOM 1282 N HIS A 83 7.207 -8.067 -5.581 1.00 0.00 N ATOM 1283 CA HIS A 83 7.077 -9.530 -5.532 1.00 0.00 C ATOM 1284 C HIS A 83 7.270 -10.076 -4.118 1.00 0.00 C ATOM 1285 O HIS A 83 7.611 -11.244 -3.931 1.00 0.00 O ATOM 1286 CB HIS A 83 8.063 -10.203 -6.496 1.00 0.00 C ATOM 1287 CG HIS A 83 7.783 -9.912 -7.938 1.00 0.00 C ATOM 1288 ND1 HIS A 83 6.655 -10.364 -8.587 1.00 0.00 N ATOM 1289 CD2 HIS A 83 8.481 -9.203 -8.855 1.00 0.00 C ATOM 1290 CE1 HIS A 83 6.674 -9.950 -9.838 1.00 0.00 C ATOM 1291 NE2 HIS A 83 7.767 -9.243 -10.026 1.00 0.00 N ATOM 0 H HIS A 83 6.354 -7.588 -5.870 1.00 0.00 H new ATOM 0 HA HIS A 83 6.060 -9.767 -5.845 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.074 -9.874 -6.257 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.033 -11.281 -6.339 1.00 0.00 H new ATOM 0 HD2 HIS A 83 9.423 -8.700 -8.695 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.920 -10.156 -10.583 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.040 -8.796 -10.901 1.00 0.00 H new ATOM 1300 N CYS A 84 7.016 -9.237 -3.126 1.00 0.00 N ATOM 1301 CA CYS A 84 7.121 -9.644 -1.735 1.00 0.00 C ATOM 1302 C CYS A 84 5.759 -9.487 -1.071 1.00 0.00 C ATOM 1303 O CYS A 84 5.514 -8.534 -0.333 1.00 0.00 O ATOM 1304 CB CYS A 84 8.186 -8.813 -1.008 1.00 0.00 C ATOM 1305 SG CYS A 84 8.560 -9.379 0.669 1.00 0.00 S ATOM 0 H CYS A 84 6.734 -8.266 -3.260 1.00 0.00 H new ATOM 0 HA CYS A 84 7.428 -10.688 -1.681 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.104 -8.827 -1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 84 7.852 -7.776 -0.962 1.00 0.00 H new ATOM 0 HG CYS A 84 7.697 -8.874 1.500 1.00 0.00 H new ATOM 1311 N LEU A 85 4.862 -10.409 -1.390 1.00 0.00 N ATOM 1312 CA LEU A 85 3.480 -10.337 -0.929 1.00 0.00 C ATOM 1313 C LEU A 85 3.189 -11.389 0.135 1.00 0.00 C ATOM 1314 O LEU A 85 3.945 -12.347 0.301 1.00 0.00 O ATOM 1315 CB LEU A 85 2.529 -10.531 -2.113 1.00 0.00 C ATOM 1316 CG LEU A 85 2.659 -9.495 -3.230 1.00 0.00 C ATOM 1317 CD1 LEU A 85 1.788 -9.876 -4.416 1.00 0.00 C ATOM 1318 CD2 LEU A 85 2.284 -8.115 -2.716 1.00 0.00 C ATOM 0 H LEU A 85 5.067 -11.222 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 85 3.326 -9.354 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.699 -11.521 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.504 -10.515 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 85 3.697 -9.472 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.894 -9.127 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.099 -10.848 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.746 -9.926 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.381 -7.388 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.254 -8.127 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.948 -7.839 -1.896 1.00 0.00 H new ATOM 1330 N MET A 86 2.079 -11.209 0.837 1.00 0.00 N ATOM 1331 CA MET A 86 1.640 -12.157 1.850 1.00 0.00 C ATOM 1332 C MET A 86 0.168 -12.479 1.662 1.00 0.00 C ATOM 1333 O MET A 86 -0.540 -11.776 0.942 1.00 0.00 O ATOM 1334 CB MET A 86 1.877 -11.604 3.257 1.00 0.00 C ATOM 1335 CG MET A 86 3.058 -12.243 3.973 1.00 0.00 C ATOM 1336 SD MET A 86 2.799 -13.995 4.318 1.00 0.00 S ATOM 1337 CE MET A 86 1.402 -13.920 5.440 1.00 0.00 C ATOM 0 H MET A 86 1.461 -10.406 0.721 1.00 0.00 H new ATOM 0 HA MET A 86 2.225 -13.070 1.737 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.041 -10.528 3.192 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.977 -11.754 3.853 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.954 -12.126 3.363 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.238 -11.715 4.910 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.344 -14.846 6.011 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.528 -13.080 6.123 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.483 -13.788 4.869 1.00 0.00 H new