USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 583 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 345 MET CE :methyl -116:sc= -0.0938 (180deg=-0.705) USER MOD Set 1.2: B 386 LYS NZ :NH3+ -164:sc= -3.6! (180deg=-4.68!) USER MOD Set 2.1: A 343 GLN : amide:sc= -3.94! C(o=-8.5!,f=-16!) USER MOD Set 2.2: B 387 GLN : amide:sc= -4.57! C(o=-8.5!,f=-9.1!) USER MOD Set 3.1: A 332 HIS : no HD1:sc= 0 K(o=-0.26,f=-1.8) USER MOD Set 3.2: A 351 MET CE :methyl -154:sc= -0.263 (180deg=-1.65!) USER MOD Single : A 311 SER OG : rot -37:sc= 0.0292 USER MOD Single : A 314 SER OG : rot 180:sc= 0 USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 HIS : no HD1:sc= -3.72! C(o=-3.7!,f=-3.9!) USER MOD Single : A 319 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 323 ASN : amide:sc= -1.34 K(o=-1.3,f=-7.9!) USER MOD Single : A 338 GLN : amide:sc= -3.7! C(o=-3.7!,f=-2.2!) USER MOD Single : A 342 LYS NZ :NH3+ -146:sc= -0.0997 (180deg=-0.741) USER MOD Single : A 354 HIS : no HE2:sc= -5.04! C(o=-5!,f=-6.6!) USER MOD Single : A 356 TYR OH : rot -134:sc= 0.164 USER MOD Single : A 363 SER OG : rot 180:sc= 0 USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 372 TYR OH : rot 64:sc= 0.379 USER MOD Single : A 378 ASN : amide:sc= -3.03! K(o=-3!,f=-0.81) USER MOD Single : B 385 THR OG1 : rot -41:sc= 0.38 USER MOD Single : B 388 THR OG1 : rot 180:sc= 0 USER MOD Single : B 391 LYS NZ :NH3+ 158:sc= -0.152 (180deg=-1.04) USER MOD Single : B 392 SER OG : rot 180:sc= -0.0599 USER MOD Single : B 393 THR OG1 : rot -170:sc= -0.173 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 311 -2.304 13.037 -13.568 1.00 0.00 N ATOM 2 CA SER A 311 -1.574 12.137 -12.630 1.00 0.00 C ATOM 3 C SER A 311 -2.055 12.390 -11.200 1.00 0.00 C ATOM 4 O SER A 311 -1.438 11.967 -10.243 1.00 0.00 O ATOM 5 CB SER A 311 -0.073 12.416 -12.720 1.00 0.00 C ATOM 6 OG SER A 311 0.193 13.718 -12.216 1.00 0.00 O ATOM 0 HA SER A 311 -1.768 11.099 -12.899 1.00 0.00 H new ATOM 0 HB2 SER A 311 0.482 11.672 -12.149 1.00 0.00 H new ATOM 0 HB3 SER A 311 0.262 12.338 -13.754 1.00 0.00 H new ATOM 0 HG SER A 311 -0.536 14.322 -12.469 1.00 0.00 H new ATOM 14 N GLY A 312 -3.152 13.080 -11.048 1.00 0.00 N ATOM 15 CA GLY A 312 -3.672 13.361 -9.679 1.00 0.00 C ATOM 16 C GLY A 312 -4.132 12.054 -9.028 1.00 0.00 C ATOM 17 O GLY A 312 -4.443 11.093 -9.703 1.00 0.00 O ATOM 0 H GLY A 312 -3.711 13.461 -11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 312 -2.896 13.828 -9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 312 -4.502 14.065 -9.732 1.00 0.00 H new ATOM 21 N PRO A 313 -4.174 12.022 -7.723 1.00 0.00 N ATOM 22 CA PRO A 313 -4.602 10.816 -6.953 1.00 0.00 C ATOM 23 C PRO A 313 -6.100 10.546 -7.101 1.00 0.00 C ATOM 24 O PRO A 313 -6.582 9.474 -6.794 1.00 0.00 O ATOM 25 CB PRO A 313 -4.271 11.177 -5.504 1.00 0.00 C ATOM 26 CG PRO A 313 -4.320 12.665 -5.464 1.00 0.00 C ATOM 27 CD PRO A 313 -3.824 13.138 -6.829 1.00 0.00 C ATOM 0 HA PRO A 313 -4.105 9.911 -7.303 1.00 0.00 H new ATOM 0 HB2 PRO A 313 -4.990 10.738 -4.812 1.00 0.00 H new ATOM 0 HB3 PRO A 313 -3.287 10.805 -5.218 1.00 0.00 H new ATOM 0 HG2 PRO A 313 -5.334 13.017 -5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 313 -3.691 13.055 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 313 -4.309 14.065 -7.134 1.00 0.00 H new ATOM 0 HD3 PRO A 313 -2.751 13.327 -6.823 1.00 0.00 H new ATOM 35 N SER A 314 -6.839 11.518 -7.560 1.00 0.00 N ATOM 36 CA SER A 314 -8.305 11.325 -7.717 1.00 0.00 C ATOM 37 C SER A 314 -8.568 10.188 -8.703 1.00 0.00 C ATOM 38 O SER A 314 -7.851 10.009 -9.667 1.00 0.00 O ATOM 39 CB SER A 314 -8.935 12.614 -8.246 1.00 0.00 C ATOM 40 OG SER A 314 -8.636 12.749 -9.629 1.00 0.00 O ATOM 0 H SER A 314 -6.490 12.437 -7.833 1.00 0.00 H new ATOM 0 HA SER A 314 -8.743 11.076 -6.751 1.00 0.00 H new ATOM 0 HB2 SER A 314 -10.014 12.593 -8.096 1.00 0.00 H new ATOM 0 HB3 SER A 314 -8.553 13.473 -7.694 1.00 0.00 H new ATOM 0 HG SER A 314 -9.040 13.573 -9.972 1.00 0.00 H new ATOM 46 N CYS A 315 -9.595 9.422 -8.463 1.00 0.00 N ATOM 47 CA CYS A 315 -9.922 8.290 -9.377 1.00 0.00 C ATOM 48 C CYS A 315 -11.273 8.551 -10.046 1.00 0.00 C ATOM 49 O CYS A 315 -12.306 8.524 -9.408 1.00 0.00 O ATOM 50 CB CYS A 315 -10.003 6.994 -8.566 1.00 0.00 C ATOM 51 SG CYS A 315 -10.593 5.653 -9.630 1.00 0.00 S ATOM 0 H CYS A 315 -10.226 9.531 -7.669 1.00 0.00 H new ATOM 0 HA CYS A 315 -9.148 8.200 -10.139 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -9.023 6.745 -8.159 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -10.677 7.124 -7.719 1.00 0.00 H new ATOM 56 N LYS A 316 -11.279 8.797 -11.328 1.00 0.00 N ATOM 57 CA LYS A 316 -12.568 9.052 -12.029 1.00 0.00 C ATOM 58 C LYS A 316 -13.368 7.752 -12.099 1.00 0.00 C ATOM 59 O LYS A 316 -14.571 7.740 -11.928 1.00 0.00 O ATOM 60 CB LYS A 316 -12.292 9.581 -13.436 1.00 0.00 C ATOM 61 CG LYS A 316 -11.635 8.485 -14.260 1.00 0.00 C ATOM 62 CD LYS A 316 -11.202 9.053 -15.614 1.00 0.00 C ATOM 63 CE LYS A 316 -10.812 7.908 -16.549 1.00 0.00 C ATOM 64 NZ LYS A 316 -10.716 8.418 -17.946 1.00 0.00 N ATOM 0 H LYS A 316 -10.448 8.832 -11.919 1.00 0.00 H new ATOM 0 HA LYS A 316 -13.145 9.798 -11.482 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -13.222 9.899 -13.907 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -11.643 10.456 -13.388 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -10.771 8.084 -13.729 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -12.331 7.659 -14.406 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -12.014 9.634 -16.052 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -10.359 9.732 -15.482 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -9.858 7.481 -16.240 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -11.552 7.110 -16.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -10.451 7.639 -18.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -11.636 8.806 -18.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -9.994 9.165 -17.994 1.00 0.00 H new ATOM 78 N HIS A 317 -12.707 6.655 -12.339 1.00 0.00 N ATOM 79 CA HIS A 317 -13.417 5.351 -12.407 1.00 0.00 C ATOM 80 C HIS A 317 -14.116 5.086 -11.072 1.00 0.00 C ATOM 81 O HIS A 317 -15.165 4.474 -11.018 1.00 0.00 O ATOM 82 CB HIS A 317 -12.408 4.238 -12.685 1.00 0.00 C ATOM 83 CG HIS A 317 -11.969 4.302 -14.121 1.00 0.00 C ATOM 84 ND1 HIS A 317 -10.809 4.956 -14.513 1.00 0.00 N ATOM 85 CD2 HIS A 317 -12.520 3.793 -15.272 1.00 0.00 C ATOM 86 CE1 HIS A 317 -10.701 4.824 -15.849 1.00 0.00 C ATOM 87 NE2 HIS A 317 -11.717 4.125 -16.356 1.00 0.00 N ATOM 0 H HIS A 317 -11.700 6.607 -12.492 1.00 0.00 H new ATOM 0 HA HIS A 317 -14.157 5.377 -13.207 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -11.546 4.342 -12.026 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -12.855 3.267 -12.474 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -13.436 3.223 -15.326 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -9.892 5.233 -16.436 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -11.872 3.884 -17.335 1.00 0.00 H new ATOM 96 N CYS A 318 -13.543 5.550 -9.996 1.00 0.00 N ATOM 97 CA CYS A 318 -14.164 5.340 -8.664 1.00 0.00 C ATOM 98 C CYS A 318 -13.366 6.140 -7.629 1.00 0.00 C ATOM 99 O CYS A 318 -12.331 5.733 -7.149 1.00 0.00 O ATOM 100 CB CYS A 318 -14.202 3.832 -8.336 1.00 0.00 C ATOM 101 SG CYS A 318 -12.693 3.282 -7.494 1.00 0.00 S ATOM 0 H CYS A 318 -12.665 6.069 -9.985 1.00 0.00 H new ATOM 0 HA CYS A 318 -15.195 5.693 -8.654 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -15.066 3.619 -7.707 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -14.331 3.264 -9.257 1.00 0.00 H new ATOM 106 N LYS A 319 -13.840 7.306 -7.308 1.00 0.00 N ATOM 107 CA LYS A 319 -13.123 8.171 -6.338 1.00 0.00 C ATOM 108 C LYS A 319 -12.868 7.406 -5.043 1.00 0.00 C ATOM 109 O LYS A 319 -11.907 7.660 -4.348 1.00 0.00 O ATOM 110 CB LYS A 319 -13.993 9.390 -6.072 1.00 0.00 C ATOM 111 CG LYS A 319 -14.146 10.162 -7.382 1.00 0.00 C ATOM 112 CD LYS A 319 -15.071 11.351 -7.165 1.00 0.00 C ATOM 113 CE LYS A 319 -15.263 12.099 -8.486 1.00 0.00 C ATOM 114 NZ LYS A 319 -16.438 13.010 -8.375 1.00 0.00 N ATOM 0 H LYS A 319 -14.703 7.701 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 319 -12.158 8.478 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -14.969 9.085 -5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -13.539 10.022 -5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -13.172 10.504 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -14.550 9.510 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -16.034 11.011 -6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -14.650 12.020 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -14.367 12.671 -8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -15.415 11.389 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -16.569 13.519 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -17.291 12.453 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -16.275 13.695 -7.610 1.00 0.00 H new ATOM 128 N ASP A 320 -13.716 6.466 -4.724 1.00 0.00 N ATOM 129 CA ASP A 320 -13.532 5.663 -3.478 1.00 0.00 C ATOM 130 C ASP A 320 -14.862 5.015 -3.081 1.00 0.00 C ATOM 131 O ASP A 320 -15.183 4.905 -1.915 1.00 0.00 O ATOM 132 CB ASP A 320 -13.051 6.559 -2.327 1.00 0.00 C ATOM 133 CG ASP A 320 -13.696 7.942 -2.437 1.00 0.00 C ATOM 134 OD1 ASP A 320 -14.585 8.096 -3.259 1.00 0.00 O ATOM 135 OD2 ASP A 320 -13.291 8.824 -1.698 1.00 0.00 O ATOM 0 H ASP A 320 -14.536 6.217 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 320 -12.784 4.894 -3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -13.307 6.104 -1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -11.965 6.651 -2.356 1.00 0.00 H new ATOM 140 N ASP A 321 -15.640 4.574 -4.032 1.00 0.00 N ATOM 141 CA ASP A 321 -16.932 3.933 -3.678 1.00 0.00 C ATOM 142 C ASP A 321 -16.650 2.675 -2.857 1.00 0.00 C ATOM 143 O ASP A 321 -15.800 1.877 -3.199 1.00 0.00 O ATOM 144 CB ASP A 321 -17.672 3.566 -4.959 1.00 0.00 C ATOM 145 CG ASP A 321 -18.164 4.839 -5.649 1.00 0.00 C ATOM 146 OD1 ASP A 321 -18.080 5.891 -5.038 1.00 0.00 O ATOM 147 OD2 ASP A 321 -18.615 4.741 -6.779 1.00 0.00 O ATOM 0 H ASP A 321 -15.437 4.630 -5.030 1.00 0.00 H new ATOM 0 HA ASP A 321 -17.547 4.616 -3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -17.012 3.010 -5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -18.516 2.915 -4.730 1.00 0.00 H new ATOM 152 N VAL A 322 -17.348 2.497 -1.772 1.00 0.00 N ATOM 153 CA VAL A 322 -17.113 1.299 -0.923 1.00 0.00 C ATOM 154 C VAL A 322 -17.673 0.059 -1.611 1.00 0.00 C ATOM 155 O VAL A 322 -17.115 -1.017 -1.532 1.00 0.00 O ATOM 156 CB VAL A 322 -17.808 1.492 0.426 1.00 0.00 C ATOM 157 CG1 VAL A 322 -17.664 0.219 1.261 1.00 0.00 C ATOM 158 CG2 VAL A 322 -17.164 2.664 1.168 1.00 0.00 C ATOM 0 H VAL A 322 -18.073 3.131 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 322 -16.042 1.169 -0.770 1.00 0.00 H new ATOM 0 HB VAL A 322 -18.865 1.702 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -18.159 0.356 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -18.123 -0.617 0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -16.607 0.009 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -17.659 2.802 2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -16.107 2.455 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -17.267 3.572 0.573 1.00 0.00 H new ATOM 168 N ASN A 323 -18.785 0.200 -2.268 1.00 0.00 N ATOM 169 CA ASN A 323 -19.406 -0.967 -2.941 1.00 0.00 C ATOM 170 C ASN A 323 -18.962 -1.057 -4.407 1.00 0.00 C ATOM 171 O ASN A 323 -19.419 -1.909 -5.143 1.00 0.00 O ATOM 172 CB ASN A 323 -20.921 -0.824 -2.863 1.00 0.00 C ATOM 173 CG ASN A 323 -21.366 0.389 -3.682 1.00 0.00 C ATOM 174 OD1 ASN A 323 -20.595 1.301 -3.904 1.00 0.00 O ATOM 175 ND2 ASN A 323 -22.586 0.439 -4.140 1.00 0.00 N ATOM 0 H ASN A 323 -19.293 1.079 -2.368 1.00 0.00 H new ATOM 0 HA ASN A 323 -19.088 -1.881 -2.440 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -21.401 -1.726 -3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -21.232 -0.708 -1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -22.893 1.244 -4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -23.233 -0.327 -3.953 1.00 0.00 H new ATOM 182 N ARG A 324 -18.076 -0.202 -4.842 1.00 0.00 N ATOM 183 CA ARG A 324 -17.620 -0.279 -6.262 1.00 0.00 C ATOM 184 C ARG A 324 -16.145 0.117 -6.349 1.00 0.00 C ATOM 185 O ARG A 324 -15.809 1.278 -6.449 1.00 0.00 O ATOM 186 CB ARG A 324 -18.448 0.674 -7.127 1.00 0.00 C ATOM 187 CG ARG A 324 -19.926 0.313 -7.019 1.00 0.00 C ATOM 188 CD ARG A 324 -20.738 1.221 -7.944 1.00 0.00 C ATOM 189 NE ARG A 324 -20.462 0.857 -9.362 1.00 0.00 N ATOM 190 CZ ARG A 324 -20.881 1.630 -10.327 1.00 0.00 C ATOM 191 NH1 ARG A 324 -21.540 2.722 -10.050 1.00 0.00 N ATOM 192 NH2 ARG A 324 -20.640 1.313 -11.570 1.00 0.00 N ATOM 0 H ARG A 324 -17.652 0.539 -4.284 1.00 0.00 H new ATOM 0 HA ARG A 324 -17.749 -1.300 -6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -18.291 1.703 -6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -18.124 0.612 -8.166 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -20.078 -0.732 -7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -20.265 0.427 -5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -21.802 1.118 -7.731 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -20.478 2.265 -7.768 1.00 0.00 H new ATOM 0 HE ARG A 324 -19.946 0.004 -9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -21.728 2.972 -9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -21.867 3.326 -10.804 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -20.124 0.461 -11.788 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -20.968 1.918 -12.323 1.00 0.00 H new ATOM 206 N LEU A 325 -15.261 -0.841 -6.318 1.00 0.00 N ATOM 207 CA LEU A 325 -13.810 -0.516 -6.405 1.00 0.00 C ATOM 208 C LEU A 325 -13.322 -0.812 -7.826 1.00 0.00 C ATOM 209 O LEU A 325 -13.633 -1.840 -8.396 1.00 0.00 O ATOM 210 CB LEU A 325 -13.036 -1.370 -5.399 1.00 0.00 C ATOM 211 CG LEU A 325 -11.638 -0.782 -5.194 1.00 0.00 C ATOM 212 CD1 LEU A 325 -11.714 0.408 -4.232 1.00 0.00 C ATOM 213 CD2 LEU A 325 -10.719 -1.853 -4.602 1.00 0.00 C ATOM 0 H LEU A 325 -15.480 -1.834 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 325 -13.648 0.537 -6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -13.570 -1.404 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -12.961 -2.396 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 325 -11.243 -0.447 -6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -10.717 0.824 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -12.369 1.172 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -12.110 0.075 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -9.722 -1.437 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -11.118 -2.186 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -10.661 -2.701 -5.285 1.00 0.00 H new ATOM 225 N CYS A 326 -12.572 0.083 -8.411 1.00 0.00 N ATOM 226 CA CYS A 326 -12.084 -0.145 -9.800 1.00 0.00 C ATOM 227 C CYS A 326 -10.680 -0.746 -9.776 1.00 0.00 C ATOM 228 O CYS A 326 -10.256 -1.315 -8.794 1.00 0.00 O ATOM 229 CB CYS A 326 -12.040 1.185 -10.547 1.00 0.00 C ATOM 230 SG CYS A 326 -10.455 1.998 -10.231 1.00 0.00 S ATOM 0 H CYS A 326 -12.277 0.962 -7.986 1.00 0.00 H new ATOM 0 HA CYS A 326 -12.763 -0.835 -10.301 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -12.169 1.019 -11.616 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -12.861 1.825 -10.222 1.00 0.00 H new ATOM 235 N ARG A 327 -9.961 -0.618 -10.862 1.00 0.00 N ATOM 236 CA ARG A 327 -8.580 -1.174 -10.922 1.00 0.00 C ATOM 237 C ARG A 327 -7.579 -0.044 -11.184 1.00 0.00 C ATOM 238 O ARG A 327 -6.384 -0.222 -11.060 1.00 0.00 O ATOM 239 CB ARG A 327 -8.499 -2.203 -12.052 1.00 0.00 C ATOM 240 CG ARG A 327 -9.460 -3.356 -11.759 1.00 0.00 C ATOM 241 CD ARG A 327 -9.303 -4.438 -12.829 1.00 0.00 C ATOM 242 NE ARG A 327 -10.372 -5.462 -12.659 1.00 0.00 N ATOM 243 CZ ARG A 327 -10.626 -6.308 -13.620 1.00 0.00 C ATOM 244 NH1 ARG A 327 -9.942 -6.258 -14.730 1.00 0.00 N ATOM 245 NH2 ARG A 327 -11.563 -7.203 -13.470 1.00 0.00 N ATOM 0 H ARG A 327 -10.275 -0.150 -11.712 1.00 0.00 H new ATOM 0 HA ARG A 327 -8.339 -1.653 -9.973 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -8.754 -1.736 -13.003 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -7.480 -2.579 -12.144 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -9.254 -3.773 -10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -10.487 -2.992 -11.743 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -9.364 -3.994 -13.823 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -8.321 -4.905 -12.749 1.00 0.00 H new ATOM 0 HE ARG A 327 -10.906 -5.502 -11.791 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -9.209 -5.558 -14.846 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -10.140 -6.919 -15.481 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -12.097 -7.242 -12.602 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -11.762 -7.864 -14.221 1.00 0.00 H new ATOM 259 N VAL A 328 -8.056 1.121 -11.541 1.00 0.00 N ATOM 260 CA VAL A 328 -7.124 2.257 -11.804 1.00 0.00 C ATOM 261 C VAL A 328 -6.423 2.651 -10.509 1.00 0.00 C ATOM 262 O VAL A 328 -5.228 2.868 -10.476 1.00 0.00 O ATOM 263 CB VAL A 328 -7.905 3.460 -12.329 1.00 0.00 C ATOM 264 CG1 VAL A 328 -7.058 4.723 -12.160 1.00 0.00 C ATOM 265 CG2 VAL A 328 -8.221 3.254 -13.813 1.00 0.00 C ATOM 0 H VAL A 328 -9.046 1.334 -11.661 1.00 0.00 H new ATOM 0 HA VAL A 328 -6.388 1.947 -12.546 1.00 0.00 H new ATOM 0 HB VAL A 328 -8.835 3.565 -11.771 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -7.611 5.585 -12.533 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -6.829 4.869 -11.104 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -6.130 4.617 -12.722 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -8.778 4.112 -14.189 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -7.291 3.152 -14.372 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -8.819 2.351 -13.936 1.00 0.00 H new ATOM 275 N CYS A 329 -7.159 2.738 -9.442 1.00 0.00 N ATOM 276 CA CYS A 329 -6.543 3.111 -8.145 1.00 0.00 C ATOM 277 C CYS A 329 -6.332 1.837 -7.338 1.00 0.00 C ATOM 278 O CYS A 329 -5.476 1.760 -6.479 1.00 0.00 O ATOM 279 CB CYS A 329 -7.470 4.068 -7.390 1.00 0.00 C ATOM 280 SG CYS A 329 -9.039 3.241 -7.029 1.00 0.00 S ATOM 0 H CYS A 329 -8.164 2.566 -9.412 1.00 0.00 H new ATOM 0 HA CYS A 329 -5.589 3.612 -8.306 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -6.997 4.392 -6.463 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -7.648 4.963 -7.986 1.00 0.00 H new ATOM 285 N ALA A 330 -7.104 0.829 -7.627 1.00 0.00 N ATOM 286 CA ALA A 330 -6.958 -0.460 -6.904 1.00 0.00 C ATOM 287 C ALA A 330 -5.903 -1.309 -7.617 1.00 0.00 C ATOM 288 O ALA A 330 -4.928 -0.798 -8.129 1.00 0.00 O ATOM 289 CB ALA A 330 -8.299 -1.195 -6.902 1.00 0.00 C ATOM 0 H ALA A 330 -7.835 0.844 -8.338 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.649 -0.279 -5.875 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -8.194 -2.142 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -9.050 -0.581 -6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -8.610 -1.387 -7.929 1.00 0.00 H new ATOM 295 N CYS A 331 -6.092 -2.596 -7.666 1.00 0.00 N ATOM 296 CA CYS A 331 -5.099 -3.466 -8.355 1.00 0.00 C ATOM 297 C CYS A 331 -5.405 -3.493 -9.851 1.00 0.00 C ATOM 298 O CYS A 331 -6.547 -3.551 -10.261 1.00 0.00 O ATOM 299 CB CYS A 331 -5.193 -4.888 -7.813 1.00 0.00 C ATOM 300 SG CYS A 331 -3.559 -5.472 -7.303 1.00 0.00 S ATOM 0 H CYS A 331 -6.890 -3.084 -7.259 1.00 0.00 H new ATOM 0 HA CYS A 331 -4.098 -3.071 -8.181 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -5.878 -4.917 -6.966 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -5.602 -5.550 -8.577 1.00 0.00 H new ATOM 305 N HIS A 332 -4.394 -3.453 -10.669 1.00 0.00 N ATOM 306 CA HIS A 332 -4.624 -3.479 -12.138 1.00 0.00 C ATOM 307 C HIS A 332 -5.348 -4.772 -12.535 1.00 0.00 C ATOM 308 O HIS A 332 -6.156 -4.782 -13.442 1.00 0.00 O ATOM 309 CB HIS A 332 -3.276 -3.409 -12.861 1.00 0.00 C ATOM 310 CG HIS A 332 -3.506 -3.366 -14.347 1.00 0.00 C ATOM 311 ND1 HIS A 332 -3.470 -4.508 -15.135 1.00 0.00 N ATOM 312 CD2 HIS A 332 -3.776 -2.327 -15.204 1.00 0.00 C ATOM 313 CE1 HIS A 332 -3.713 -4.132 -16.405 1.00 0.00 C ATOM 314 NE2 HIS A 332 -3.905 -2.815 -16.498 1.00 0.00 N ATOM 0 H HIS A 332 -3.416 -3.403 -10.384 1.00 0.00 H new ATOM 0 HA HIS A 332 -5.241 -2.625 -12.419 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -2.725 -2.524 -12.542 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -2.667 -4.275 -12.601 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -3.873 -1.291 -14.916 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -3.748 -4.812 -17.244 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -4.105 -2.279 -17.342 1.00 0.00 H new ATOM 323 N LEU A 333 -5.050 -5.866 -11.882 1.00 0.00 N ATOM 324 CA LEU A 333 -5.707 -7.157 -12.250 1.00 0.00 C ATOM 325 C LEU A 333 -6.767 -7.560 -11.218 1.00 0.00 C ATOM 326 O LEU A 333 -7.954 -7.469 -11.465 1.00 0.00 O ATOM 327 CB LEU A 333 -4.644 -8.254 -12.323 1.00 0.00 C ATOM 328 CG LEU A 333 -3.573 -7.866 -13.346 1.00 0.00 C ATOM 329 CD1 LEU A 333 -2.531 -8.982 -13.439 1.00 0.00 C ATOM 330 CD2 LEU A 333 -4.223 -7.666 -14.717 1.00 0.00 C ATOM 0 H LEU A 333 -4.383 -5.922 -11.113 1.00 0.00 H new ATOM 0 HA LEU A 333 -6.198 -7.028 -13.215 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -4.189 -8.399 -11.343 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -5.104 -9.201 -12.605 1.00 0.00 H new ATOM 0 HG LEU A 333 -3.092 -6.940 -13.032 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -1.768 -8.707 -14.167 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -2.066 -9.128 -12.464 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -3.015 -9.907 -13.753 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -3.460 -7.390 -15.445 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -4.704 -8.592 -15.030 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -4.968 -6.873 -14.654 1.00 0.00 H new ATOM 342 N CYS A 334 -6.347 -8.042 -10.079 1.00 0.00 N ATOM 343 CA CYS A 334 -7.328 -8.494 -9.047 1.00 0.00 C ATOM 344 C CYS A 334 -7.932 -7.294 -8.307 1.00 0.00 C ATOM 345 O CYS A 334 -7.255 -6.562 -7.625 1.00 0.00 O ATOM 346 CB CYS A 334 -6.619 -9.430 -8.055 1.00 0.00 C ATOM 347 SG CYS A 334 -5.800 -8.477 -6.747 1.00 0.00 S ATOM 0 H CYS A 334 -5.366 -8.143 -9.817 1.00 0.00 H new ATOM 0 HA CYS A 334 -8.141 -9.029 -9.538 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -7.342 -10.115 -7.614 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -5.884 -10.038 -8.583 1.00 0.00 H new ATOM 352 N GLY A 335 -9.213 -7.089 -8.440 1.00 0.00 N ATOM 353 CA GLY A 335 -9.857 -5.938 -7.743 1.00 0.00 C ATOM 354 C GLY A 335 -9.279 -5.807 -6.330 1.00 0.00 C ATOM 355 O GLY A 335 -9.354 -6.716 -5.528 1.00 0.00 O ATOM 0 H GLY A 335 -9.841 -7.666 -8.999 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -9.687 -5.019 -8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -10.936 -6.087 -7.694 1.00 0.00 H new ATOM 359 N GLY A 336 -8.692 -4.682 -6.031 1.00 0.00 N ATOM 360 CA GLY A 336 -8.091 -4.479 -4.681 1.00 0.00 C ATOM 361 C GLY A 336 -9.135 -4.726 -3.591 1.00 0.00 C ATOM 362 O GLY A 336 -8.850 -4.617 -2.416 1.00 0.00 O ATOM 0 H GLY A 336 -8.602 -3.889 -6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -7.247 -5.156 -4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -7.702 -3.464 -4.598 1.00 0.00 H new ATOM 366 N ARG A 337 -10.341 -5.058 -3.963 1.00 0.00 N ATOM 367 CA ARG A 337 -11.390 -5.308 -2.933 1.00 0.00 C ATOM 368 C ARG A 337 -10.886 -6.357 -1.939 1.00 0.00 C ATOM 369 O ARG A 337 -11.212 -6.327 -0.768 1.00 0.00 O ATOM 370 CB ARG A 337 -12.660 -5.825 -3.614 1.00 0.00 C ATOM 371 CG ARG A 337 -13.213 -4.747 -4.548 1.00 0.00 C ATOM 372 CD ARG A 337 -14.553 -5.210 -5.125 1.00 0.00 C ATOM 373 NE ARG A 337 -14.370 -6.515 -5.820 1.00 0.00 N ATOM 374 CZ ARG A 337 -13.761 -6.561 -6.973 1.00 0.00 C ATOM 375 NH1 ARG A 337 -13.312 -5.463 -7.517 1.00 0.00 N ATOM 376 NH2 ARG A 337 -13.599 -7.704 -7.581 1.00 0.00 N ATOM 0 H ARG A 337 -10.645 -5.167 -4.931 1.00 0.00 H new ATOM 0 HA ARG A 337 -11.610 -4.380 -2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -12.440 -6.732 -4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -13.406 -6.089 -2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -13.343 -3.811 -4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -12.506 -4.552 -5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -15.289 -5.311 -4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -14.938 -4.465 -5.822 1.00 0.00 H new ATOM 0 HE ARG A 337 -14.721 -7.373 -5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -13.437 -4.570 -7.041 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -12.836 -5.498 -8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -13.949 -8.562 -7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -13.123 -7.739 -8.482 1.00 0.00 H new ATOM 390 N GLN A 338 -10.094 -7.284 -2.399 1.00 0.00 N ATOM 391 CA GLN A 338 -9.563 -8.342 -1.492 1.00 0.00 C ATOM 392 C GLN A 338 -8.783 -7.698 -0.344 1.00 0.00 C ATOM 393 O GLN A 338 -8.817 -8.159 0.780 1.00 0.00 O ATOM 394 CB GLN A 338 -8.628 -9.248 -2.292 1.00 0.00 C ATOM 395 CG GLN A 338 -9.421 -9.957 -3.390 1.00 0.00 C ATOM 396 CD GLN A 338 -8.465 -10.418 -4.489 1.00 0.00 C ATOM 397 OE1 GLN A 338 -8.320 -11.600 -4.732 1.00 0.00 O ATOM 398 NE2 GLN A 338 -7.803 -9.523 -5.171 1.00 0.00 N ATOM 0 H GLN A 338 -9.789 -7.356 -3.370 1.00 0.00 H new ATOM 0 HA GLN A 338 -10.389 -8.922 -1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -7.823 -8.660 -2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -8.163 -9.981 -1.633 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -9.954 -10.812 -2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -10.172 -9.284 -3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -7.926 -8.532 -4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -7.163 -9.815 -5.909 1.00 0.00 H new ATOM 407 N ASP A 339 -8.078 -6.638 -0.621 1.00 0.00 N ATOM 408 CA ASP A 339 -7.287 -5.959 0.446 1.00 0.00 C ATOM 409 C ASP A 339 -6.544 -4.771 -0.169 1.00 0.00 C ATOM 410 O ASP A 339 -5.386 -4.870 -0.523 1.00 0.00 O ATOM 411 CB ASP A 339 -6.275 -6.945 1.036 1.00 0.00 C ATOM 412 CG ASP A 339 -6.785 -7.453 2.386 1.00 0.00 C ATOM 413 OD1 ASP A 339 -6.736 -6.694 3.340 1.00 0.00 O ATOM 414 OD2 ASP A 339 -7.217 -8.593 2.443 1.00 0.00 O ATOM 0 H ASP A 339 -8.014 -6.209 -1.544 1.00 0.00 H new ATOM 0 HA ASP A 339 -7.952 -5.611 1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -6.126 -7.782 0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -5.307 -6.459 1.160 1.00 0.00 H new ATOM 419 N PRO A 340 -7.214 -3.660 -0.309 1.00 0.00 N ATOM 420 CA PRO A 340 -6.620 -2.429 -0.911 1.00 0.00 C ATOM 421 C PRO A 340 -5.437 -1.888 -0.099 1.00 0.00 C ATOM 422 O PRO A 340 -4.505 -1.329 -0.637 1.00 0.00 O ATOM 423 CB PRO A 340 -7.775 -1.416 -0.915 1.00 0.00 C ATOM 424 CG PRO A 340 -9.021 -2.209 -0.690 1.00 0.00 C ATOM 425 CD PRO A 340 -8.609 -3.450 0.093 1.00 0.00 C ATOM 0 HA PRO A 340 -6.217 -2.630 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -7.641 -0.669 -0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -7.820 -0.880 -1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -9.756 -1.627 -0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -9.482 -2.484 -1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -8.698 -3.294 1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -9.233 -4.308 -0.157 1.00 0.00 H new ATOM 433 N ASP A 341 -5.464 -2.052 1.190 1.00 0.00 N ATOM 434 CA ASP A 341 -4.342 -1.543 2.030 1.00 0.00 C ATOM 435 C ASP A 341 -3.046 -2.270 1.666 1.00 0.00 C ATOM 436 O ASP A 341 -1.959 -1.790 1.922 1.00 0.00 O ATOM 437 CB ASP A 341 -4.663 -1.787 3.507 1.00 0.00 C ATOM 438 CG ASP A 341 -3.622 -1.083 4.379 1.00 0.00 C ATOM 439 OD1 ASP A 341 -2.795 -0.376 3.827 1.00 0.00 O ATOM 440 OD2 ASP A 341 -3.670 -1.263 5.585 1.00 0.00 O ATOM 0 H ASP A 341 -6.214 -2.517 1.702 1.00 0.00 H new ATOM 0 HA ASP A 341 -4.216 -0.475 1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -5.660 -1.414 3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -4.666 -2.856 3.718 1.00 0.00 H new ATOM 445 N LYS A 342 -3.151 -3.438 1.099 1.00 0.00 N ATOM 446 CA LYS A 342 -1.927 -4.214 0.749 1.00 0.00 C ATOM 447 C LYS A 342 -1.510 -3.950 -0.701 1.00 0.00 C ATOM 448 O LYS A 342 -0.721 -4.679 -1.267 1.00 0.00 O ATOM 449 CB LYS A 342 -2.232 -5.696 0.929 1.00 0.00 C ATOM 450 CG LYS A 342 -2.735 -5.914 2.352 1.00 0.00 C ATOM 451 CD LYS A 342 -2.934 -7.409 2.606 1.00 0.00 C ATOM 452 CE LYS A 342 -3.563 -7.613 3.986 1.00 0.00 C ATOM 453 NZ LYS A 342 -2.738 -6.920 5.015 1.00 0.00 N ATOM 0 H LYS A 342 -4.033 -3.891 0.862 1.00 0.00 H new ATOM 0 HA LYS A 342 -1.107 -3.908 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -2.983 -6.019 0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -1.338 -6.292 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -2.020 -5.506 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -3.674 -5.382 2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -3.575 -7.837 1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -1.977 -7.929 2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -4.580 -7.221 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -3.629 -8.677 4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -2.762 -7.463 5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -1.756 -6.846 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -3.120 -5.967 5.182 1.00 0.00 H new ATOM 467 N GLN A 343 -2.027 -2.920 -1.310 1.00 0.00 N ATOM 468 CA GLN A 343 -1.646 -2.633 -2.721 1.00 0.00 C ATOM 469 C GLN A 343 -0.372 -1.789 -2.757 1.00 0.00 C ATOM 470 O GLN A 343 -0.259 -0.787 -2.077 1.00 0.00 O ATOM 471 CB GLN A 343 -2.770 -1.857 -3.409 1.00 0.00 C ATOM 472 CG GLN A 343 -2.410 -1.630 -4.879 1.00 0.00 C ATOM 473 CD GLN A 343 -3.474 -0.750 -5.534 1.00 0.00 C ATOM 474 OE1 GLN A 343 -4.552 -0.581 -5.000 1.00 0.00 O ATOM 475 NE2 GLN A 343 -3.211 -0.169 -6.671 1.00 0.00 N ATOM 0 H GLN A 343 -2.693 -2.268 -0.895 1.00 0.00 H new ATOM 0 HA GLN A 343 -1.475 -3.577 -3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -3.706 -2.410 -3.334 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -2.924 -0.900 -2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -1.432 -1.155 -4.956 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -2.342 -2.585 -5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -2.306 -0.311 -7.119 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -3.910 0.428 -7.113 1.00 0.00 H new ATOM 484 N LEU A 344 0.582 -2.175 -3.559 1.00 0.00 N ATOM 485 CA LEU A 344 1.838 -1.385 -3.656 1.00 0.00 C ATOM 486 C LEU A 344 1.788 -0.542 -4.932 1.00 0.00 C ATOM 487 O LEU A 344 1.538 -1.052 -6.008 1.00 0.00 O ATOM 488 CB LEU A 344 3.033 -2.338 -3.714 1.00 0.00 C ATOM 489 CG LEU A 344 4.335 -1.534 -3.716 1.00 0.00 C ATOM 490 CD1 LEU A 344 4.506 -0.824 -2.371 1.00 0.00 C ATOM 491 CD2 LEU A 344 5.513 -2.482 -3.944 1.00 0.00 C ATOM 0 H LEU A 344 0.544 -3.005 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 344 1.942 -0.735 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.013 -3.014 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 344 2.975 -2.956 -4.610 1.00 0.00 H new ATOM 0 HG LEU A 344 4.301 -0.791 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 344 5.434 -0.253 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 344 3.666 -0.150 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 344 4.540 -1.563 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 344 6.443 -1.913 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.543 -3.223 -3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 344 5.394 -2.986 -4.903 1.00 0.00 H new ATOM 503 N MET A 345 2.011 0.743 -4.820 1.00 0.00 N ATOM 504 CA MET A 345 1.959 1.624 -6.016 1.00 0.00 C ATOM 505 C MET A 345 3.309 2.316 -6.220 1.00 0.00 C ATOM 506 O MET A 345 4.041 2.559 -5.281 1.00 0.00 O ATOM 507 CB MET A 345 0.886 2.688 -5.791 1.00 0.00 C ATOM 508 CG MET A 345 -0.493 2.030 -5.730 1.00 0.00 C ATOM 509 SD MET A 345 -1.772 3.306 -5.628 1.00 0.00 S ATOM 510 CE MET A 345 -1.696 3.856 -7.352 1.00 0.00 C ATOM 0 H MET A 345 2.228 1.218 -3.944 1.00 0.00 H new ATOM 0 HA MET A 345 1.728 1.026 -6.897 1.00 0.00 H new ATOM 0 HB2 MET A 345 1.083 3.226 -4.864 1.00 0.00 H new ATOM 0 HB3 MET A 345 0.914 3.421 -6.597 1.00 0.00 H new ATOM 0 HG2 MET A 345 -0.651 1.412 -6.614 1.00 0.00 H new ATOM 0 HG3 MET A 345 -0.554 1.370 -4.865 1.00 0.00 H new ATOM 0 HE1 MET A 345 -1.363 4.893 -7.389 1.00 0.00 H new ATOM 0 HE2 MET A 345 -0.994 3.230 -7.903 1.00 0.00 H new ATOM 0 HE3 MET A 345 -2.685 3.776 -7.803 1.00 0.00 H new ATOM 520 N CYS A 346 3.634 2.644 -7.443 1.00 0.00 N ATOM 521 CA CYS A 346 4.928 3.335 -7.719 1.00 0.00 C ATOM 522 C CYS A 346 4.639 4.765 -8.188 1.00 0.00 C ATOM 523 O CYS A 346 3.879 4.986 -9.106 1.00 0.00 O ATOM 524 CB CYS A 346 5.684 2.567 -8.802 1.00 0.00 C ATOM 525 SG CYS A 346 6.787 3.679 -9.707 1.00 0.00 S ATOM 0 H CYS A 346 3.057 2.463 -8.265 1.00 0.00 H new ATOM 0 HA CYS A 346 5.538 3.370 -6.816 1.00 0.00 H new ATOM 0 HB2 CYS A 346 6.261 1.760 -8.350 1.00 0.00 H new ATOM 0 HB3 CYS A 346 4.977 2.105 -9.491 1.00 0.00 H new ATOM 530 N ASP A 347 5.224 5.738 -7.546 1.00 0.00 N ATOM 531 CA ASP A 347 4.969 7.156 -7.935 1.00 0.00 C ATOM 532 C ASP A 347 5.359 7.402 -9.395 1.00 0.00 C ATOM 533 O ASP A 347 4.706 8.146 -10.100 1.00 0.00 O ATOM 534 CB ASP A 347 5.786 8.082 -7.031 1.00 0.00 C ATOM 535 CG ASP A 347 5.360 9.532 -7.268 1.00 0.00 C ATOM 536 OD1 ASP A 347 4.417 9.737 -8.014 1.00 0.00 O ATOM 537 OD2 ASP A 347 5.985 10.412 -6.699 1.00 0.00 O ATOM 0 H ASP A 347 5.870 5.613 -6.766 1.00 0.00 H new ATOM 0 HA ASP A 347 3.904 7.361 -7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 347 5.635 7.814 -5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 347 6.850 7.966 -7.239 1.00 0.00 H new ATOM 542 N GLU A 348 6.424 6.807 -9.852 1.00 0.00 N ATOM 543 CA GLU A 348 6.852 7.039 -11.262 1.00 0.00 C ATOM 544 C GLU A 348 5.767 6.575 -12.238 1.00 0.00 C ATOM 545 O GLU A 348 5.524 7.209 -13.246 1.00 0.00 O ATOM 546 CB GLU A 348 8.146 6.275 -11.537 1.00 0.00 C ATOM 547 CG GLU A 348 8.667 6.646 -12.929 1.00 0.00 C ATOM 548 CD GLU A 348 9.131 8.103 -12.928 1.00 0.00 C ATOM 549 OE1 GLU A 348 9.469 8.596 -11.865 1.00 0.00 O ATOM 550 OE2 GLU A 348 9.142 8.702 -13.991 1.00 0.00 O ATOM 0 H GLU A 348 7.015 6.173 -9.315 1.00 0.00 H new ATOM 0 HA GLU A 348 7.017 8.107 -11.404 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.892 6.517 -10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.968 5.201 -11.477 1.00 0.00 H new ATOM 0 HG2 GLU A 348 9.492 5.991 -13.207 1.00 0.00 H new ATOM 0 HG3 GLU A 348 7.883 6.503 -13.672 1.00 0.00 H new ATOM 557 N CYS A 349 5.116 5.478 -11.956 1.00 0.00 N ATOM 558 CA CYS A 349 4.050 4.985 -12.879 1.00 0.00 C ATOM 559 C CYS A 349 2.789 4.651 -12.079 1.00 0.00 C ATOM 560 O CYS A 349 2.854 4.156 -10.973 1.00 0.00 O ATOM 561 CB CYS A 349 4.545 3.742 -13.627 1.00 0.00 C ATOM 562 SG CYS A 349 4.835 2.390 -12.459 1.00 0.00 S ATOM 0 H CYS A 349 5.275 4.903 -11.129 1.00 0.00 H new ATOM 0 HA CYS A 349 3.814 5.763 -13.605 1.00 0.00 H new ATOM 0 HB2 CYS A 349 3.809 3.439 -14.372 1.00 0.00 H new ATOM 0 HB3 CYS A 349 5.465 3.973 -14.164 1.00 0.00 H new ATOM 567 N ASP A 350 1.638 4.926 -12.631 1.00 0.00 N ATOM 568 CA ASP A 350 0.368 4.640 -11.903 1.00 0.00 C ATOM 569 C ASP A 350 0.119 3.133 -11.862 1.00 0.00 C ATOM 570 O ASP A 350 -1.009 2.682 -11.801 1.00 0.00 O ATOM 571 CB ASP A 350 -0.795 5.330 -12.617 1.00 0.00 C ATOM 572 CG ASP A 350 -0.634 6.847 -12.507 1.00 0.00 C ATOM 573 OD1 ASP A 350 0.186 7.280 -11.715 1.00 0.00 O ATOM 574 OD2 ASP A 350 -1.334 7.551 -13.217 1.00 0.00 O ATOM 0 H ASP A 350 1.522 5.337 -13.557 1.00 0.00 H new ATOM 0 HA ASP A 350 0.447 5.017 -10.883 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -0.821 5.031 -13.665 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -1.742 5.021 -12.174 1.00 0.00 H new ATOM 579 N MET A 351 1.160 2.352 -11.894 1.00 0.00 N ATOM 580 CA MET A 351 0.986 0.872 -11.854 1.00 0.00 C ATOM 581 C MET A 351 1.376 0.350 -10.470 1.00 0.00 C ATOM 582 O MET A 351 2.082 1.003 -9.722 1.00 0.00 O ATOM 583 CB MET A 351 1.880 0.220 -12.912 1.00 0.00 C ATOM 584 CG MET A 351 1.439 0.660 -14.312 1.00 0.00 C ATOM 585 SD MET A 351 -0.275 0.151 -14.602 1.00 0.00 S ATOM 586 CE MET A 351 -0.010 -1.632 -14.444 1.00 0.00 C ATOM 0 H MET A 351 2.127 2.674 -11.946 1.00 0.00 H new ATOM 0 HA MET A 351 -0.056 0.626 -12.058 1.00 0.00 H new ATOM 0 HB2 MET A 351 2.920 0.500 -12.744 1.00 0.00 H new ATOM 0 HB3 MET A 351 1.825 -0.865 -12.828 1.00 0.00 H new ATOM 0 HG2 MET A 351 1.528 1.742 -14.408 1.00 0.00 H new ATOM 0 HG3 MET A 351 2.092 0.218 -15.065 1.00 0.00 H new ATOM 0 HE1 MET A 351 -0.772 -2.165 -15.013 1.00 0.00 H new ATOM 0 HE2 MET A 351 0.977 -1.889 -14.829 1.00 0.00 H new ATOM 0 HE3 MET A 351 -0.075 -1.918 -13.394 1.00 0.00 H new ATOM 596 N ALA A 352 0.919 -0.826 -10.125 1.00 0.00 N ATOM 597 CA ALA A 352 1.255 -1.403 -8.792 1.00 0.00 C ATOM 598 C ALA A 352 1.877 -2.783 -8.982 1.00 0.00 C ATOM 599 O ALA A 352 2.111 -3.220 -10.091 1.00 0.00 O ATOM 600 CB ALA A 352 -0.022 -1.538 -7.963 1.00 0.00 C ATOM 0 H ALA A 352 0.326 -1.412 -10.712 1.00 0.00 H new ATOM 0 HA ALA A 352 1.960 -0.749 -8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 352 0.220 -1.960 -6.988 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -0.476 -0.556 -7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -0.723 -2.195 -8.478 1.00 0.00 H new ATOM 606 N PHE A 353 2.144 -3.473 -7.904 1.00 0.00 N ATOM 607 CA PHE A 353 2.749 -4.829 -8.017 1.00 0.00 C ATOM 608 C PHE A 353 1.873 -5.870 -7.321 1.00 0.00 C ATOM 609 O PHE A 353 1.442 -5.693 -6.198 1.00 0.00 O ATOM 610 CB PHE A 353 4.143 -4.822 -7.394 1.00 0.00 C ATOM 611 CG PHE A 353 5.087 -4.097 -8.320 1.00 0.00 C ATOM 612 CD1 PHE A 353 5.519 -4.726 -9.492 1.00 0.00 C ATOM 613 CD2 PHE A 353 5.531 -2.807 -8.011 1.00 0.00 C ATOM 614 CE1 PHE A 353 6.397 -4.065 -10.357 1.00 0.00 C ATOM 615 CE2 PHE A 353 6.410 -2.145 -8.877 1.00 0.00 C ATOM 616 CZ PHE A 353 6.843 -2.775 -10.050 1.00 0.00 C ATOM 0 H PHE A 353 1.968 -3.154 -6.951 1.00 0.00 H new ATOM 0 HA PHE A 353 2.824 -5.092 -9.072 1.00 0.00 H new ATOM 0 HB2 PHE A 353 4.119 -4.332 -6.421 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.487 -5.843 -7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 353 5.175 -5.722 -9.729 1.00 0.00 H new ATOM 0 HD2 PHE A 353 5.196 -2.322 -7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 353 6.731 -4.551 -11.262 1.00 0.00 H new ATOM 0 HE2 PHE A 353 6.754 -1.149 -8.640 1.00 0.00 H new ATOM 0 HZ PHE A 353 7.521 -2.265 -10.718 1.00 0.00 H new ATOM 626 N HIS A 354 1.619 -6.961 -7.988 1.00 0.00 N ATOM 627 CA HIS A 354 0.784 -8.040 -7.395 1.00 0.00 C ATOM 628 C HIS A 354 1.554 -8.741 -6.271 1.00 0.00 C ATOM 629 O HIS A 354 1.136 -9.768 -5.774 1.00 0.00 O ATOM 630 CB HIS A 354 0.441 -9.060 -8.482 1.00 0.00 C ATOM 631 CG HIS A 354 -1.032 -9.017 -8.784 1.00 0.00 C ATOM 632 ND1 HIS A 354 -1.729 -10.139 -9.204 1.00 0.00 N ATOM 633 CD2 HIS A 354 -1.955 -7.999 -8.735 1.00 0.00 C ATOM 634 CE1 HIS A 354 -3.012 -9.775 -9.389 1.00 0.00 C ATOM 635 NE2 HIS A 354 -3.204 -8.482 -9.116 1.00 0.00 N ATOM 0 H HIS A 354 1.959 -7.152 -8.930 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.129 -7.606 -6.987 1.00 0.00 H new ATOM 0 HB2 HIS A 354 1.012 -8.846 -9.386 1.00 0.00 H new ATOM 0 HB3 HIS A 354 0.724 -10.061 -8.155 1.00 0.00 H new ATOM 0 HD1 HIS A 354 -1.340 -11.071 -9.347 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -1.743 -6.980 -8.445 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -3.791 -10.447 -9.718 1.00 0.00 H new ATOM 643 N ILE A 355 2.681 -8.213 -5.875 1.00 0.00 N ATOM 644 CA ILE A 355 3.465 -8.879 -4.800 1.00 0.00 C ATOM 645 C ILE A 355 2.602 -9.033 -3.545 1.00 0.00 C ATOM 646 O ILE A 355 2.928 -9.785 -2.648 1.00 0.00 O ATOM 647 CB ILE A 355 4.717 -8.052 -4.477 1.00 0.00 C ATOM 648 CG1 ILE A 355 4.321 -6.686 -3.893 1.00 0.00 C ATOM 649 CG2 ILE A 355 5.525 -7.834 -5.758 1.00 0.00 C ATOM 650 CD1 ILE A 355 3.893 -6.822 -2.425 1.00 0.00 C ATOM 0 H ILE A 355 3.089 -7.355 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 355 3.772 -9.867 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 355 5.316 -8.592 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 355 5.161 -5.996 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 355 3.505 -6.259 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 355 6.415 -7.247 -5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 355 5.822 -8.799 -6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 355 4.915 -7.301 -6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 355 3.618 -5.842 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 355 3.037 -7.494 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 355 4.720 -7.226 -1.841 1.00 0.00 H new ATOM 662 N TYR A 356 1.506 -8.330 -3.469 1.00 0.00 N ATOM 663 CA TYR A 356 0.633 -8.448 -2.267 1.00 0.00 C ATOM 664 C TYR A 356 -0.435 -9.521 -2.504 1.00 0.00 C ATOM 665 O TYR A 356 -0.871 -10.188 -1.588 1.00 0.00 O ATOM 666 CB TYR A 356 -0.045 -7.103 -1.992 1.00 0.00 C ATOM 667 CG TYR A 356 -1.508 -7.191 -2.351 1.00 0.00 C ATOM 668 CD1 TYR A 356 -2.407 -7.813 -1.476 1.00 0.00 C ATOM 669 CD2 TYR A 356 -1.967 -6.650 -3.558 1.00 0.00 C ATOM 670 CE1 TYR A 356 -3.765 -7.894 -1.808 1.00 0.00 C ATOM 671 CE2 TYR A 356 -3.326 -6.730 -3.889 1.00 0.00 C ATOM 672 CZ TYR A 356 -4.224 -7.352 -3.014 1.00 0.00 C ATOM 673 OH TYR A 356 -5.563 -7.431 -3.341 1.00 0.00 O ATOM 0 H TYR A 356 1.178 -7.681 -4.184 1.00 0.00 H new ATOM 0 HA TYR A 356 1.242 -8.731 -1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 356 0.067 -6.836 -0.941 1.00 0.00 H new ATOM 0 HB3 TYR A 356 0.436 -6.316 -2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -2.053 -8.230 -0.545 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -1.274 -6.171 -4.234 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -4.458 -8.375 -1.133 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -3.681 -6.312 -4.819 1.00 0.00 H new ATOM 0 HH TYR A 356 -5.656 -7.716 -4.274 1.00 0.00 H new ATOM 683 N CYS A 357 -0.865 -9.685 -3.725 1.00 0.00 N ATOM 684 CA CYS A 357 -1.911 -10.706 -4.019 1.00 0.00 C ATOM 685 C CYS A 357 -1.264 -12.082 -4.193 1.00 0.00 C ATOM 686 O CYS A 357 -1.664 -13.051 -3.580 1.00 0.00 O ATOM 687 CB CYS A 357 -2.640 -10.319 -5.308 1.00 0.00 C ATOM 688 SG CYS A 357 -2.205 -8.620 -5.756 1.00 0.00 S ATOM 0 H CYS A 357 -0.537 -9.156 -4.533 1.00 0.00 H new ATOM 0 HA CYS A 357 -2.618 -10.748 -3.191 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -2.366 -11.001 -6.113 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -3.718 -10.406 -5.170 1.00 0.00 H new ATOM 693 N LEU A 358 -0.269 -12.171 -5.027 1.00 0.00 N ATOM 694 CA LEU A 358 0.413 -13.476 -5.254 1.00 0.00 C ATOM 695 C LEU A 358 1.162 -13.896 -3.990 1.00 0.00 C ATOM 696 O LEU A 358 1.236 -15.061 -3.652 1.00 0.00 O ATOM 697 CB LEU A 358 1.414 -13.311 -6.393 1.00 0.00 C ATOM 698 CG LEU A 358 0.667 -13.004 -7.693 1.00 0.00 C ATOM 699 CD1 LEU A 358 1.675 -12.722 -8.809 1.00 0.00 C ATOM 700 CD2 LEU A 358 -0.198 -14.206 -8.080 1.00 0.00 C ATOM 0 H LEU A 358 0.105 -11.390 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 358 -0.326 -14.237 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 358 2.111 -12.505 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 358 2.004 -14.221 -6.507 1.00 0.00 H new ATOM 0 HG LEU A 358 0.032 -12.130 -7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 358 1.142 -12.504 -9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 358 2.292 -11.866 -8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 358 2.311 -13.595 -8.954 1.00 0.00 H new ATOM 0 HD21 LEU A 358 -0.730 -13.988 -9.006 1.00 0.00 H new ATOM 0 HD22 LEU A 358 0.437 -15.080 -8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 358 -0.918 -14.407 -7.286 1.00 0.00 H new ATOM 712 N ASP A 359 1.723 -12.949 -3.303 1.00 0.00 N ATOM 713 CA ASP A 359 2.487 -13.258 -2.061 1.00 0.00 C ATOM 714 C ASP A 359 3.817 -13.938 -2.418 1.00 0.00 C ATOM 715 O ASP A 359 4.052 -15.076 -2.063 1.00 0.00 O ATOM 716 CB ASP A 359 1.660 -14.189 -1.170 1.00 0.00 C ATOM 717 CG ASP A 359 0.173 -13.877 -1.349 1.00 0.00 C ATOM 718 OD1 ASP A 359 -0.224 -12.772 -1.017 1.00 0.00 O ATOM 719 OD2 ASP A 359 -0.543 -14.748 -1.814 1.00 0.00 O ATOM 0 H ASP A 359 1.687 -11.960 -3.549 1.00 0.00 H new ATOM 0 HA ASP A 359 2.693 -12.329 -1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 359 1.858 -15.229 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 359 1.947 -14.060 -0.126 1.00 0.00 H new ATOM 724 N PRO A 360 4.685 -13.241 -3.110 1.00 0.00 N ATOM 725 CA PRO A 360 6.011 -13.756 -3.520 1.00 0.00 C ATOM 726 C PRO A 360 7.109 -13.327 -2.541 1.00 0.00 C ATOM 727 O PRO A 360 6.895 -12.466 -1.711 1.00 0.00 O ATOM 728 CB PRO A 360 6.223 -13.083 -4.879 1.00 0.00 C ATOM 729 CG PRO A 360 5.372 -11.842 -4.869 1.00 0.00 C ATOM 730 CD PRO A 360 4.516 -11.872 -3.596 1.00 0.00 C ATOM 0 HA PRO A 360 6.053 -14.845 -3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 360 7.273 -12.834 -5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 360 5.933 -13.748 -5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 360 5.997 -10.950 -4.888 1.00 0.00 H new ATOM 0 HG3 PRO A 360 4.738 -11.806 -5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 360 4.858 -11.140 -2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 360 3.471 -11.647 -3.808 1.00 0.00 H new ATOM 738 N PRO A 361 8.278 -13.903 -2.640 1.00 0.00 N ATOM 739 CA PRO A 361 9.411 -13.539 -1.747 1.00 0.00 C ATOM 740 C PRO A 361 9.548 -12.019 -1.623 1.00 0.00 C ATOM 741 O PRO A 361 10.150 -11.509 -0.699 1.00 0.00 O ATOM 742 CB PRO A 361 10.630 -14.139 -2.448 1.00 0.00 C ATOM 743 CG PRO A 361 10.105 -15.284 -3.249 1.00 0.00 C ATOM 744 CD PRO A 361 8.650 -14.958 -3.597 1.00 0.00 C ATOM 0 HA PRO A 361 9.281 -13.909 -0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 361 11.117 -13.403 -3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 361 11.373 -14.474 -1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 361 10.696 -15.424 -4.154 1.00 0.00 H new ATOM 0 HG3 PRO A 361 10.167 -16.212 -2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 361 8.554 -14.614 -4.627 1.00 0.00 H new ATOM 0 HD3 PRO A 361 8.010 -15.834 -3.493 1.00 0.00 H new ATOM 752 N LEU A 362 8.975 -11.296 -2.548 1.00 0.00 N ATOM 753 CA LEU A 362 9.044 -9.810 -2.498 1.00 0.00 C ATOM 754 C LEU A 362 7.851 -9.283 -1.697 1.00 0.00 C ATOM 755 O LEU A 362 7.545 -8.107 -1.720 1.00 0.00 O ATOM 756 CB LEU A 362 8.993 -9.242 -3.918 1.00 0.00 C ATOM 757 CG LEU A 362 10.121 -9.845 -4.757 1.00 0.00 C ATOM 758 CD1 LEU A 362 10.128 -9.196 -6.142 1.00 0.00 C ATOM 759 CD2 LEU A 362 11.463 -9.584 -4.068 1.00 0.00 C ATOM 0 H LEU A 362 8.459 -11.676 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 362 9.976 -9.503 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 362 8.029 -9.465 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 362 9.089 -8.157 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 362 9.965 -10.919 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 362 10.931 -9.625 -6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 362 9.172 -9.378 -6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 362 10.285 -8.122 -6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 362 12.268 -10.013 -4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 362 11.618 -8.510 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.460 -10.043 -3.079 1.00 0.00 H new ATOM 771 N SER A 363 7.172 -10.148 -0.994 1.00 0.00 N ATOM 772 CA SER A 363 5.993 -9.705 -0.198 1.00 0.00 C ATOM 773 C SER A 363 6.360 -8.453 0.597 1.00 0.00 C ATOM 774 O SER A 363 5.515 -7.643 0.925 1.00 0.00 O ATOM 775 CB SER A 363 5.582 -10.819 0.766 1.00 0.00 C ATOM 776 OG SER A 363 4.377 -10.449 1.424 1.00 0.00 O ATOM 0 H SER A 363 7.384 -11.144 -0.937 1.00 0.00 H new ATOM 0 HA SER A 363 5.163 -9.481 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 363 5.441 -11.753 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 363 6.371 -10.992 1.498 1.00 0.00 H new ATOM 0 HG SER A 363 4.110 -11.161 2.042 1.00 0.00 H new ATOM 782 N SER A 364 7.615 -8.285 0.907 1.00 0.00 N ATOM 783 CA SER A 364 8.037 -7.083 1.678 1.00 0.00 C ATOM 784 C SER A 364 7.541 -5.824 0.965 1.00 0.00 C ATOM 785 O SER A 364 7.341 -5.817 -0.233 1.00 0.00 O ATOM 786 CB SER A 364 9.561 -7.045 1.754 1.00 0.00 C ATOM 787 OG SER A 364 10.031 -8.238 2.367 1.00 0.00 O ATOM 0 H SER A 364 8.367 -8.928 0.660 1.00 0.00 H new ATOM 0 HA SER A 364 7.617 -7.127 2.683 1.00 0.00 H new ATOM 0 HB2 SER A 364 9.984 -6.945 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 364 9.886 -6.176 2.326 1.00 0.00 H new ATOM 0 HG SER A 364 11.010 -8.217 2.416 1.00 0.00 H new ATOM 793 N VAL A 365 7.343 -4.758 1.692 1.00 0.00 N ATOM 794 CA VAL A 365 6.862 -3.502 1.056 1.00 0.00 C ATOM 795 C VAL A 365 8.026 -2.499 0.965 1.00 0.00 C ATOM 796 O VAL A 365 8.486 -1.998 1.972 1.00 0.00 O ATOM 797 CB VAL A 365 5.749 -2.900 1.916 1.00 0.00 C ATOM 798 CG1 VAL A 365 4.798 -2.095 1.030 1.00 0.00 C ATOM 799 CG2 VAL A 365 4.974 -4.026 2.605 1.00 0.00 C ATOM 0 H VAL A 365 7.494 -4.704 2.699 1.00 0.00 H new ATOM 0 HA VAL A 365 6.484 -3.718 0.057 1.00 0.00 H new ATOM 0 HB VAL A 365 6.186 -2.244 2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 365 4.005 -1.666 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 365 5.350 -1.294 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 365 4.360 -2.750 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 365 4.180 -3.599 3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 365 4.537 -4.681 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 365 5.652 -4.600 3.237 1.00 0.00 H new ATOM 809 N PRO A 366 8.499 -2.195 -0.224 1.00 0.00 N ATOM 810 CA PRO A 366 9.616 -1.230 -0.414 1.00 0.00 C ATOM 811 C PRO A 366 9.135 0.223 -0.374 1.00 0.00 C ATOM 812 O PRO A 366 9.915 1.150 -0.467 1.00 0.00 O ATOM 813 CB PRO A 366 10.157 -1.581 -1.795 1.00 0.00 C ATOM 814 CG PRO A 366 8.988 -2.120 -2.548 1.00 0.00 C ATOM 815 CD PRO A 366 8.033 -2.732 -1.516 1.00 0.00 C ATOM 0 HA PRO A 366 10.362 -1.304 0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 366 10.573 -0.703 -2.290 1.00 0.00 H new ATOM 0 HB3 PRO A 366 10.957 -2.319 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 366 8.493 -1.328 -3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 366 9.308 -2.871 -3.270 1.00 0.00 H new ATOM 0 HD2 PRO A 366 6.999 -2.450 -1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 366 8.075 -3.821 -1.532 1.00 0.00 H new ATOM 823 N SER A 367 7.852 0.426 -0.239 1.00 0.00 N ATOM 824 CA SER A 367 7.314 1.812 -0.196 1.00 0.00 C ATOM 825 C SER A 367 7.936 2.564 0.981 1.00 0.00 C ATOM 826 O SER A 367 7.877 3.775 1.056 1.00 0.00 O ATOM 827 CB SER A 367 5.796 1.760 -0.028 1.00 0.00 C ATOM 828 OG SER A 367 5.484 1.281 1.274 1.00 0.00 O ATOM 0 H SER A 367 7.153 -0.312 -0.157 1.00 0.00 H new ATOM 0 HA SER A 367 7.559 2.329 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 367 5.368 2.752 -0.176 1.00 0.00 H new ATOM 0 HB3 SER A 367 5.357 1.108 -0.783 1.00 0.00 H new ATOM 0 HG SER A 367 4.511 1.248 1.386 1.00 0.00 H new ATOM 834 N GLU A 368 8.530 1.857 1.902 1.00 0.00 N ATOM 835 CA GLU A 368 9.154 2.534 3.073 1.00 0.00 C ATOM 836 C GLU A 368 10.178 3.557 2.580 1.00 0.00 C ATOM 837 O GLU A 368 10.373 4.592 3.186 1.00 0.00 O ATOM 838 CB GLU A 368 9.853 1.494 3.952 1.00 0.00 C ATOM 839 CG GLU A 368 8.814 0.525 4.521 1.00 0.00 C ATOM 840 CD GLU A 368 9.501 -0.472 5.455 1.00 0.00 C ATOM 841 OE1 GLU A 368 10.722 -0.481 5.485 1.00 0.00 O ATOM 842 OE2 GLU A 368 8.797 -1.210 6.124 1.00 0.00 O ATOM 0 H GLU A 368 8.610 0.840 1.894 1.00 0.00 H new ATOM 0 HA GLU A 368 8.384 3.040 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.594 0.948 3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.388 1.988 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 368 8.046 1.077 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 368 8.314 -0.005 3.711 1.00 0.00 H new ATOM 849 N ASP A 369 10.829 3.281 1.479 1.00 0.00 N ATOM 850 CA ASP A 369 11.833 4.237 0.939 1.00 0.00 C ATOM 851 C ASP A 369 11.445 4.607 -0.490 1.00 0.00 C ATOM 852 O ASP A 369 10.570 4.004 -1.080 1.00 0.00 O ATOM 853 CB ASP A 369 13.218 3.588 0.938 1.00 0.00 C ATOM 854 CG ASP A 369 13.637 3.272 2.375 1.00 0.00 C ATOM 855 OD1 ASP A 369 13.025 3.813 3.282 1.00 0.00 O ATOM 856 OD2 ASP A 369 14.561 2.495 2.546 1.00 0.00 O ATOM 0 H ASP A 369 10.705 2.430 0.931 1.00 0.00 H new ATOM 0 HA ASP A 369 11.859 5.131 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 369 13.202 2.674 0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 369 13.944 4.257 0.475 1.00 0.00 H new ATOM 861 N GLU A 370 12.086 5.588 -1.056 1.00 0.00 N ATOM 862 CA GLU A 370 11.745 5.984 -2.450 1.00 0.00 C ATOM 863 C GLU A 370 12.182 4.876 -3.405 1.00 0.00 C ATOM 864 O GLU A 370 13.230 4.948 -4.016 1.00 0.00 O ATOM 865 CB GLU A 370 12.472 7.282 -2.807 1.00 0.00 C ATOM 866 CG GLU A 370 11.987 8.410 -1.894 1.00 0.00 C ATOM 867 CD GLU A 370 10.495 8.652 -2.124 1.00 0.00 C ATOM 868 OE1 GLU A 370 9.998 8.231 -3.157 1.00 0.00 O ATOM 869 OE2 GLU A 370 9.872 9.254 -1.265 1.00 0.00 O ATOM 0 H GLU A 370 12.829 6.132 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 370 10.669 6.140 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 370 13.548 7.150 -2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 370 12.287 7.539 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 370 12.167 8.150 -0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 370 12.549 9.322 -2.096 1.00 0.00 H new ATOM 876 N TRP A 371 11.386 3.850 -3.541 1.00 0.00 N ATOM 877 CA TRP A 371 11.757 2.736 -4.457 1.00 0.00 C ATOM 878 C TRP A 371 10.920 2.830 -5.737 1.00 0.00 C ATOM 879 O TRP A 371 9.725 3.041 -5.693 1.00 0.00 O ATOM 880 CB TRP A 371 11.498 1.398 -3.764 1.00 0.00 C ATOM 881 CG TRP A 371 10.273 0.772 -4.337 1.00 0.00 C ATOM 882 CD1 TRP A 371 9.011 1.188 -4.102 1.00 0.00 C ATOM 883 CD2 TRP A 371 10.170 -0.374 -5.230 1.00 0.00 C ATOM 884 NE1 TRP A 371 8.137 0.374 -4.797 1.00 0.00 N ATOM 885 CE2 TRP A 371 8.803 -0.606 -5.506 1.00 0.00 C ATOM 886 CE3 TRP A 371 11.120 -1.226 -5.822 1.00 0.00 C ATOM 887 CZ2 TRP A 371 8.392 -1.645 -6.339 1.00 0.00 C ATOM 888 CZ3 TRP A 371 10.709 -2.274 -6.662 1.00 0.00 C ATOM 889 CH2 TRP A 371 9.347 -2.483 -6.919 1.00 0.00 C ATOM 0 H TRP A 371 10.495 3.736 -3.057 1.00 0.00 H new ATOM 0 HA TRP A 371 12.814 2.808 -4.712 1.00 0.00 H new ATOM 0 HB2 TRP A 371 12.354 0.736 -3.896 1.00 0.00 H new ATOM 0 HB3 TRP A 371 11.375 1.549 -2.692 1.00 0.00 H new ATOM 0 HD1 TRP A 371 8.730 2.020 -3.474 1.00 0.00 H new ATOM 0 HE1 TRP A 371 7.123 0.484 -4.787 1.00 0.00 H new ATOM 0 HE3 TRP A 371 12.172 -1.073 -5.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 7.341 -1.801 -6.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 11.446 -2.922 -7.112 1.00 0.00 H new ATOM 0 HH2 TRP A 371 9.036 -3.291 -7.565 1.00 0.00 H new ATOM 900 N TYR A 372 11.546 2.687 -6.875 1.00 0.00 N ATOM 901 CA TYR A 372 10.798 2.776 -8.163 1.00 0.00 C ATOM 902 C TYR A 372 11.029 1.502 -8.981 1.00 0.00 C ATOM 903 O TYR A 372 12.074 0.886 -8.901 1.00 0.00 O ATOM 904 CB TYR A 372 11.296 3.984 -8.956 1.00 0.00 C ATOM 905 CG TYR A 372 11.286 5.207 -8.072 1.00 0.00 C ATOM 906 CD1 TYR A 372 10.090 5.895 -7.837 1.00 0.00 C ATOM 907 CD2 TYR A 372 12.477 5.653 -7.487 1.00 0.00 C ATOM 908 CE1 TYR A 372 10.085 7.030 -7.016 1.00 0.00 C ATOM 909 CE2 TYR A 372 12.472 6.787 -6.667 1.00 0.00 C ATOM 910 CZ TYR A 372 11.277 7.476 -6.431 1.00 0.00 C ATOM 911 OH TYR A 372 11.272 8.594 -5.623 1.00 0.00 O ATOM 0 H TYR A 372 12.547 2.512 -6.968 1.00 0.00 H new ATOM 0 HA TYR A 372 9.733 2.886 -7.956 1.00 0.00 H new ATOM 0 HB2 TYR A 372 12.304 3.798 -9.326 1.00 0.00 H new ATOM 0 HB3 TYR A 372 10.661 4.147 -9.827 1.00 0.00 H new ATOM 0 HD1 TYR A 372 9.171 5.551 -8.289 1.00 0.00 H new ATOM 0 HD2 TYR A 372 13.400 5.122 -7.669 1.00 0.00 H new ATOM 0 HE1 TYR A 372 9.162 7.561 -6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 372 13.391 7.131 -6.216 1.00 0.00 H new ATOM 0 HH TYR A 372 10.729 8.419 -4.826 1.00 0.00 H new ATOM 921 N CYS A 373 10.067 1.100 -9.769 1.00 0.00 N ATOM 922 CA CYS A 373 10.244 -0.132 -10.586 1.00 0.00 C ATOM 923 C CYS A 373 11.614 -0.085 -11.278 1.00 0.00 C ATOM 924 O CYS A 373 12.065 0.970 -11.677 1.00 0.00 O ATOM 925 CB CYS A 373 9.151 -0.193 -11.655 1.00 0.00 C ATOM 926 SG CYS A 373 7.574 0.339 -10.947 1.00 0.00 S ATOM 0 H CYS A 373 9.169 1.571 -9.881 1.00 0.00 H new ATOM 0 HA CYS A 373 10.181 -1.009 -9.942 1.00 0.00 H new ATOM 0 HB2 CYS A 373 9.417 0.446 -12.497 1.00 0.00 H new ATOM 0 HB3 CYS A 373 9.063 -1.209 -12.041 1.00 0.00 H new ATOM 931 N PRO A 374 12.274 -1.211 -11.437 1.00 0.00 N ATOM 932 CA PRO A 374 13.603 -1.252 -12.108 1.00 0.00 C ATOM 933 C PRO A 374 13.598 -0.449 -13.410 1.00 0.00 C ATOM 934 O PRO A 374 14.511 0.300 -13.696 1.00 0.00 O ATOM 935 CB PRO A 374 13.825 -2.734 -12.408 1.00 0.00 C ATOM 936 CG PRO A 374 12.965 -3.486 -11.445 1.00 0.00 C ATOM 937 CD PRO A 374 11.840 -2.548 -10.997 1.00 0.00 C ATOM 0 HA PRO A 374 14.385 -0.817 -11.486 1.00 0.00 H new ATOM 0 HB2 PRO A 374 13.554 -2.968 -13.437 1.00 0.00 H new ATOM 0 HB3 PRO A 374 14.874 -3.003 -12.286 1.00 0.00 H new ATOM 0 HG2 PRO A 374 12.554 -4.379 -11.916 1.00 0.00 H new ATOM 0 HG3 PRO A 374 13.550 -3.818 -10.588 1.00 0.00 H new ATOM 0 HD2 PRO A 374 10.888 -2.825 -11.451 1.00 0.00 H new ATOM 0 HD3 PRO A 374 11.700 -2.584 -9.917 1.00 0.00 H new ATOM 945 N GLU A 375 12.567 -0.595 -14.198 1.00 0.00 N ATOM 946 CA GLU A 375 12.491 0.163 -15.476 1.00 0.00 C ATOM 947 C GLU A 375 12.210 1.636 -15.178 1.00 0.00 C ATOM 948 O GLU A 375 12.692 2.522 -15.857 1.00 0.00 O ATOM 949 CB GLU A 375 11.369 -0.411 -16.337 1.00 0.00 C ATOM 950 CG GLU A 375 10.046 -0.215 -15.611 1.00 0.00 C ATOM 951 CD GLU A 375 8.919 -0.882 -16.401 1.00 0.00 C ATOM 952 OE1 GLU A 375 9.188 -1.360 -17.491 1.00 0.00 O ATOM 953 OE2 GLU A 375 7.804 -0.903 -15.904 1.00 0.00 O ATOM 0 H GLU A 375 11.774 -1.208 -14.010 1.00 0.00 H new ATOM 0 HA GLU A 375 13.437 0.078 -16.010 1.00 0.00 H new ATOM 0 HB2 GLU A 375 11.345 0.086 -17.307 1.00 0.00 H new ATOM 0 HB3 GLU A 375 11.543 -1.470 -16.526 1.00 0.00 H new ATOM 0 HG2 GLU A 375 10.103 -0.642 -14.610 1.00 0.00 H new ATOM 0 HG3 GLU A 375 9.840 0.849 -15.492 1.00 0.00 H new ATOM 960 N CYS A 376 11.435 1.903 -14.164 1.00 0.00 N ATOM 961 CA CYS A 376 11.119 3.314 -13.814 1.00 0.00 C ATOM 962 C CYS A 376 12.415 4.045 -13.459 1.00 0.00 C ATOM 963 O CYS A 376 12.576 5.218 -13.732 1.00 0.00 O ATOM 964 CB CYS A 376 10.167 3.339 -12.615 1.00 0.00 C ATOM 965 SG CYS A 376 8.453 3.298 -13.202 1.00 0.00 S ATOM 0 H CYS A 376 11.006 1.201 -13.561 1.00 0.00 H new ATOM 0 HA CYS A 376 10.643 3.808 -14.661 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.361 2.485 -11.966 1.00 0.00 H new ATOM 0 HB3 CYS A 376 10.338 4.237 -12.021 1.00 0.00 H new ATOM 970 N ARG A 377 13.337 3.357 -12.849 1.00 0.00 N ATOM 971 CA ARG A 377 14.627 3.999 -12.470 1.00 0.00 C ATOM 972 C ARG A 377 15.373 4.436 -13.725 1.00 0.00 C ATOM 973 O ARG A 377 16.190 5.336 -13.690 1.00 0.00 O ATOM 974 CB ARG A 377 15.476 3.000 -11.701 1.00 0.00 C ATOM 975 CG ARG A 377 14.736 2.589 -10.435 1.00 0.00 C ATOM 976 CD ARG A 377 15.641 1.696 -9.601 1.00 0.00 C ATOM 977 NE ARG A 377 14.851 1.073 -8.502 1.00 0.00 N ATOM 978 CZ ARG A 377 15.217 -0.075 -8.001 1.00 0.00 C ATOM 979 NH1 ARG A 377 16.286 -0.674 -8.450 1.00 0.00 N ATOM 980 NH2 ARG A 377 14.513 -0.624 -7.050 1.00 0.00 N ATOM 0 H ARG A 377 13.253 2.373 -12.595 1.00 0.00 H new ATOM 0 HA ARG A 377 14.429 4.871 -11.847 1.00 0.00 H new ATOM 0 HB2 ARG A 377 15.680 2.125 -12.319 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.439 3.442 -11.447 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.448 3.472 -9.864 1.00 0.00 H new ATOM 0 HG3 ARG A 377 13.817 2.061 -10.690 1.00 0.00 H new ATOM 0 HD2 ARG A 377 16.084 0.922 -10.228 1.00 0.00 H new ATOM 0 HD3 ARG A 377 16.463 2.280 -9.186 1.00 0.00 H new ATOM 0 HE ARG A 377 14.022 1.545 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 377 16.837 -0.245 -9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 377 16.571 -1.571 -8.057 1.00 0.00 H new ATOM 0 HH21 ARG A 377 13.677 -0.156 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 377 14.798 -1.521 -6.658 1.00 0.00 H new ATOM 994 N ASN A 378 15.099 3.814 -14.836 1.00 0.00 N ATOM 995 CA ASN A 378 15.790 4.206 -16.093 1.00 0.00 C ATOM 996 C ASN A 378 15.767 5.729 -16.205 1.00 0.00 C ATOM 997 O ASN A 378 16.466 6.318 -17.004 1.00 0.00 O ATOM 998 CB ASN A 378 15.067 3.590 -17.292 1.00 0.00 C ATOM 999 CG ASN A 378 15.164 2.066 -17.220 1.00 0.00 C ATOM 1000 OD1 ASN A 378 14.678 1.373 -18.091 1.00 0.00 O ATOM 1001 ND2 ASN A 378 15.778 1.510 -16.211 1.00 0.00 N ATOM 0 H ASN A 378 14.427 3.052 -14.928 1.00 0.00 H new ATOM 0 HA ASN A 378 16.820 3.848 -16.080 1.00 0.00 H new ATOM 0 HB2 ASN A 378 14.022 3.898 -17.297 1.00 0.00 H new ATOM 0 HB3 ASN A 378 15.510 3.949 -18.221 1.00 0.00 H new ATOM 0 HD21 ASN A 378 15.849 0.494 -16.154 1.00 0.00 H new ATOM 0 HD22 ASN A 378 16.186 2.092 -15.479 1.00 0.00 H new ATOM 1008 N ASP A 379 14.959 6.369 -15.403 1.00 0.00 N ATOM 1009 CA ASP A 379 14.881 7.857 -15.453 1.00 0.00 C ATOM 1010 C ASP A 379 16.181 8.454 -14.911 1.00 0.00 C ATOM 1011 O ASP A 379 16.296 9.669 -14.910 1.00 0.00 O ATOM 1012 CB ASP A 379 13.705 8.334 -14.599 1.00 0.00 C ATOM 1013 CG ASP A 379 13.532 9.845 -14.765 1.00 0.00 C ATOM 1014 OD1 ASP A 379 14.219 10.412 -15.599 1.00 0.00 O ATOM 1015 OD2 ASP A 379 12.716 10.410 -14.056 1.00 0.00 O ATOM 1016 OXT ASP A 379 17.040 7.687 -14.507 1.00 0.00 O ATOM 0 H ASP A 379 14.350 5.926 -14.716 1.00 0.00 H new ATOM 0 HA ASP A 379 14.736 8.180 -16.484 1.00 0.00 H new ATOM 0 HB2 ASP A 379 12.792 7.818 -14.898 1.00 0.00 H new ATOM 0 HB3 ASP A 379 13.881 8.091 -13.551 1.00 0.00 H new TER 1021 ASP A 379 ATOM 1022 N ALA B 383 8.053 6.739 -2.843 1.00 0.00 N ATOM 1023 CA ALA B 383 7.147 5.685 -3.379 1.00 0.00 C ATOM 1024 C ALA B 383 5.699 6.176 -3.320 1.00 0.00 C ATOM 1025 O ALA B 383 5.425 7.269 -2.865 1.00 0.00 O ATOM 1026 CB ALA B 383 7.289 4.416 -2.538 1.00 0.00 C ATOM 0 HA ALA B 383 7.414 5.469 -4.413 1.00 0.00 H new ATOM 0 HB1 ALA B 383 6.626 3.644 -2.929 1.00 0.00 H new ATOM 0 HB2 ALA B 383 8.320 4.065 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA B 383 7.022 4.633 -1.504 1.00 0.00 H new ATOM 1034 N ARG B 384 4.772 5.377 -3.778 1.00 0.00 N ATOM 1035 CA ARG B 384 3.341 5.794 -3.750 1.00 0.00 C ATOM 1036 C ARG B 384 2.493 4.692 -3.112 1.00 0.00 C ATOM 1037 O ARG B 384 2.739 3.517 -3.298 1.00 0.00 O ATOM 1038 CB ARG B 384 2.857 6.048 -5.179 1.00 0.00 C ATOM 1039 CG ARG B 384 1.410 6.545 -5.143 1.00 0.00 C ATOM 1040 CD ARG B 384 0.894 6.729 -6.572 1.00 0.00 C ATOM 1041 NE ARG B 384 1.682 7.793 -7.252 1.00 0.00 N ATOM 1042 CZ ARG B 384 1.401 8.127 -8.482 1.00 0.00 C ATOM 1043 NH1 ARG B 384 0.431 7.527 -9.115 1.00 0.00 N ATOM 1044 NH2 ARG B 384 2.091 9.061 -9.078 1.00 0.00 N ATOM 0 H ARG B 384 4.945 4.452 -4.171 1.00 0.00 H new ATOM 0 HA ARG B 384 3.243 6.707 -3.163 1.00 0.00 H new ATOM 0 HB2 ARG B 384 3.495 6.786 -5.665 1.00 0.00 H new ATOM 0 HB3 ARG B 384 2.924 5.132 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG B 384 0.783 5.831 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG B 384 1.352 7.489 -4.601 1.00 0.00 H new ATOM 0 HD2 ARG B 384 0.977 5.792 -7.123 1.00 0.00 H new ATOM 0 HD3 ARG B 384 -0.162 6.998 -6.557 1.00 0.00 H new ATOM 0 HE ARG B 384 2.441 8.261 -6.757 1.00 0.00 H new ATOM 0 HH11 ARG B 384 -0.108 6.797 -8.649 1.00 0.00 H new ATOM 0 HH12 ARG B 384 0.211 7.788 -10.076 1.00 0.00 H new ATOM 0 HH21 ARG B 384 2.850 9.530 -8.582 1.00 0.00 H new ATOM 0 HH22 ARG B 384 1.872 9.322 -10.039 1.00 0.00 H new ATOM 1058 N THR B 385 1.493 5.065 -2.361 1.00 0.00 N ATOM 1059 CA THR B 385 0.622 4.045 -1.711 1.00 0.00 C ATOM 1060 C THR B 385 -0.656 4.720 -1.207 1.00 0.00 C ATOM 1061 O THR B 385 -0.890 4.821 -0.019 1.00 0.00 O ATOM 1062 CB THR B 385 1.367 3.416 -0.530 1.00 0.00 C ATOM 1063 OG1 THR B 385 2.706 3.133 -0.915 1.00 0.00 O ATOM 1064 CG2 THR B 385 0.668 2.120 -0.115 1.00 0.00 C ATOM 0 H THR B 385 1.241 6.035 -2.169 1.00 0.00 H new ATOM 0 HA THR B 385 0.366 3.269 -2.432 1.00 0.00 H new ATOM 0 HB THR B 385 1.369 4.109 0.311 1.00 0.00 H new ATOM 0 HG1 THR B 385 2.715 2.767 -1.824 1.00 0.00 H new ATOM 0 HG21 THR B 385 1.199 1.673 0.726 1.00 0.00 H new ATOM 0 HG22 THR B 385 -0.359 2.338 0.179 1.00 0.00 H new ATOM 0 HG23 THR B 385 0.665 1.424 -0.954 1.00 0.00 H new ATOM 1072 N LYS B 386 -1.484 5.186 -2.102 1.00 0.00 N ATOM 1073 CA LYS B 386 -2.744 5.857 -1.675 1.00 0.00 C ATOM 1074 C LYS B 386 -3.805 4.804 -1.343 1.00 0.00 C ATOM 1075 O LYS B 386 -4.916 5.126 -0.973 1.00 0.00 O ATOM 1076 CB LYS B 386 -3.251 6.764 -2.803 1.00 0.00 C ATOM 1077 CG LYS B 386 -3.716 5.915 -3.991 1.00 0.00 C ATOM 1078 CD LYS B 386 -4.075 6.833 -5.161 1.00 0.00 C ATOM 1079 CE LYS B 386 -4.802 6.026 -6.238 1.00 0.00 C ATOM 1080 NZ LYS B 386 -4.715 4.573 -5.916 1.00 0.00 N ATOM 0 H LYS B 386 -1.342 5.131 -3.111 1.00 0.00 H new ATOM 0 HA LYS B 386 -2.548 6.459 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -4.074 7.381 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -2.459 7.443 -3.119 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -2.929 5.221 -4.287 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -4.580 5.314 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -4.708 7.650 -4.815 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -3.172 7.282 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -5.846 6.334 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -4.358 6.220 -7.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -4.960 4.015 -6.759 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -3.746 4.341 -5.617 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -5.378 4.348 -5.147 1.00 0.00 H new ATOM 1094 N GLN B 387 -3.474 3.548 -1.476 1.00 0.00 N ATOM 1095 CA GLN B 387 -4.471 2.483 -1.170 1.00 0.00 C ATOM 1096 C GLN B 387 -4.473 2.193 0.333 1.00 0.00 C ATOM 1097 O GLN B 387 -5.159 1.306 0.800 1.00 0.00 O ATOM 1098 CB GLN B 387 -4.107 1.204 -1.928 1.00 0.00 C ATOM 1099 CG GLN B 387 -5.386 0.432 -2.259 1.00 0.00 C ATOM 1100 CD GLN B 387 -6.205 1.215 -3.288 1.00 0.00 C ATOM 1101 OE1 GLN B 387 -5.656 1.820 -4.185 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -7.507 1.230 -3.194 1.00 0.00 N ATOM 0 H GLN B 387 -2.560 3.214 -1.782 1.00 0.00 H new ATOM 0 HA GLN B 387 -5.460 2.822 -1.477 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -3.570 1.451 -2.844 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -3.442 0.587 -1.325 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -5.137 -0.554 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -5.973 0.276 -1.354 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -7.970 0.722 -2.440 1.00 0.00 H new ATOM 0 HE22 GLN B 387 -8.061 1.750 -3.874 1.00 0.00 H new ATOM 1111 N THR B 388 -3.711 2.927 1.094 1.00 0.00 N ATOM 1112 CA THR B 388 -3.670 2.680 2.564 1.00 0.00 C ATOM 1113 C THR B 388 -5.064 2.893 3.157 1.00 0.00 C ATOM 1114 O THR B 388 -5.397 2.353 4.193 1.00 0.00 O ATOM 1115 CB THR B 388 -2.682 3.649 3.217 1.00 0.00 C ATOM 1116 OG1 THR B 388 -3.142 4.982 3.042 1.00 0.00 O ATOM 1117 CG2 THR B 388 -1.304 3.492 2.570 1.00 0.00 C ATOM 0 H THR B 388 -3.115 3.686 0.764 1.00 0.00 H new ATOM 0 HA THR B 388 -3.350 1.655 2.751 1.00 0.00 H new ATOM 0 HB THR B 388 -2.607 3.428 4.282 1.00 0.00 H new ATOM 0 HG1 THR B 388 -2.511 5.604 3.461 1.00 0.00 H new ATOM 0 HG21 THR B 388 -0.602 4.183 3.037 1.00 0.00 H new ATOM 0 HG22 THR B 388 -0.952 2.470 2.707 1.00 0.00 H new ATOM 0 HG23 THR B 388 -1.375 3.711 1.505 1.00 0.00 H new ATOM 1125 N ALA B 389 -5.883 3.674 2.508 1.00 0.00 N ATOM 1126 CA ALA B 389 -7.256 3.916 3.034 1.00 0.00 C ATOM 1127 C ALA B 389 -8.051 2.607 3.006 1.00 0.00 C ATOM 1128 O ALA B 389 -7.815 1.746 2.183 1.00 0.00 O ATOM 1129 CB ALA B 389 -7.960 4.959 2.164 1.00 0.00 C ATOM 0 H ALA B 389 -5.661 4.155 1.636 1.00 0.00 H new ATOM 0 HA ALA B 389 -7.193 4.282 4.059 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -8.964 5.136 2.549 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -7.395 5.891 2.184 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -8.023 4.595 1.139 1.00 0.00 H new ATOM 1135 N ARG B 390 -8.993 2.456 3.900 1.00 0.00 N ATOM 1136 CA ARG B 390 -9.808 1.206 3.926 1.00 0.00 C ATOM 1137 C ARG B 390 -11.226 1.521 3.448 1.00 0.00 C ATOM 1138 O ARG B 390 -11.724 2.613 3.637 1.00 0.00 O ATOM 1139 CB ARG B 390 -9.861 0.662 5.355 1.00 0.00 C ATOM 1140 CG ARG B 390 -8.453 0.262 5.802 1.00 0.00 C ATOM 1141 CD ARG B 390 -8.518 -0.355 7.201 1.00 0.00 C ATOM 1142 NE ARG B 390 -9.205 -1.675 7.131 1.00 0.00 N ATOM 1143 CZ ARG B 390 -8.564 -2.721 6.687 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -7.321 -2.612 6.304 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -9.166 -3.878 6.626 1.00 0.00 N ATOM 0 H ARG B 390 -9.233 3.145 4.613 1.00 0.00 H new ATOM 0 HA ARG B 390 -9.357 0.460 3.271 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -10.267 1.417 6.028 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -10.528 -0.199 5.403 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -8.025 -0.452 5.098 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -7.800 1.135 5.808 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -7.512 -0.478 7.603 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -9.053 0.310 7.879 1.00 0.00 H new ATOM 0 HE ARG B 390 -10.176 -1.761 7.430 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -6.850 -1.709 6.352 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -6.821 -3.430 5.957 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -10.137 -3.964 6.925 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -8.665 -4.696 6.279 1.00 0.00 H new ATOM 1159 N LYS B 391 -11.878 0.581 2.819 1.00 0.00 N ATOM 1160 CA LYS B 391 -13.258 0.845 2.324 1.00 0.00 C ATOM 1161 C LYS B 391 -14.113 -0.417 2.460 1.00 0.00 C ATOM 1162 O LYS B 391 -14.820 -0.598 3.431 1.00 0.00 O ATOM 1163 CB LYS B 391 -13.187 1.256 0.854 1.00 0.00 C ATOM 1164 CG LYS B 391 -12.343 2.525 0.723 1.00 0.00 C ATOM 1165 CD LYS B 391 -12.347 2.996 -0.733 1.00 0.00 C ATOM 1166 CE LYS B 391 -11.380 4.168 -0.889 1.00 0.00 C ATOM 1167 NZ LYS B 391 -10.008 3.736 -0.497 1.00 0.00 N ATOM 0 H LYS B 391 -11.517 -0.353 2.628 1.00 0.00 H new ATOM 0 HA LYS B 391 -13.709 1.643 2.913 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -12.750 0.453 0.261 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -14.190 1.431 0.465 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -12.741 3.307 1.370 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -11.322 2.330 1.050 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -12.055 2.179 -1.392 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -13.352 3.298 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -11.381 4.519 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -11.701 5.004 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -9.307 4.367 -0.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -9.913 3.779 0.538 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -9.846 2.761 -0.820 1.00 0.00 H new ATOM 1181 N SER B 392 -14.056 -1.290 1.491 1.00 0.00 N ATOM 1182 CA SER B 392 -14.868 -2.540 1.563 1.00 0.00 C ATOM 1183 C SER B 392 -14.471 -3.316 2.817 1.00 0.00 C ATOM 1184 O SER B 392 -15.299 -3.899 3.488 1.00 0.00 O ATOM 1185 CB SER B 392 -14.598 -3.396 0.326 1.00 0.00 C ATOM 1186 OG SER B 392 -13.262 -3.876 0.369 1.00 0.00 O ATOM 0 H SER B 392 -13.483 -1.192 0.653 1.00 0.00 H new ATOM 0 HA SER B 392 -15.928 -2.291 1.602 1.00 0.00 H new ATOM 0 HB2 SER B 392 -15.296 -4.232 0.289 1.00 0.00 H new ATOM 0 HB3 SER B 392 -14.756 -2.809 -0.578 1.00 0.00 H new ATOM 0 HG SER B 392 -13.087 -4.427 -0.422 1.00 0.00 H new ATOM 1192 N THR B 393 -13.210 -3.307 3.150 1.00 0.00 N ATOM 1193 CA THR B 393 -12.763 -4.022 4.375 1.00 0.00 C ATOM 1194 C THR B 393 -13.107 -3.155 5.582 1.00 0.00 C ATOM 1195 O THR B 393 -13.100 -3.603 6.712 1.00 0.00 O ATOM 1196 CB THR B 393 -11.249 -4.246 4.317 1.00 0.00 C ATOM 1197 OG1 THR B 393 -10.584 -2.991 4.357 1.00 0.00 O ATOM 1198 CG2 THR B 393 -10.888 -4.977 3.022 1.00 0.00 C ATOM 0 H THR B 393 -12.472 -2.836 2.627 1.00 0.00 H new ATOM 0 HA THR B 393 -13.259 -4.990 4.450 1.00 0.00 H new ATOM 0 HB THR B 393 -10.938 -4.849 5.170 1.00 0.00 H new ATOM 0 HG1 THR B 393 -9.632 -3.119 4.162 1.00 0.00 H new ATOM 0 HG21 THR B 393 -9.810 -5.136 2.982 1.00 0.00 H new ATOM 0 HG22 THR B 393 -11.398 -5.940 2.993 1.00 0.00 H new ATOM 0 HG23 THR B 393 -11.198 -4.377 2.167 1.00 0.00 H new ATOM 1206 N GLY B 394 -13.413 -1.909 5.340 1.00 0.00 N ATOM 1207 CA GLY B 394 -13.763 -0.990 6.453 1.00 0.00 C ATOM 1208 C GLY B 394 -12.823 -1.229 7.635 1.00 0.00 C ATOM 1209 O GLY B 394 -11.786 -1.838 7.428 1.00 0.00 O ATOM 1210 OXT GLY B 394 -13.154 -0.799 8.727 1.00 0.00 O ATOM 0 H GLY B 394 -13.435 -1.488 4.411 1.00 0.00 H new ATOM 0 HA2 GLY B 394 -13.688 0.045 6.120 1.00 0.00 H new ATOM 0 HA3 GLY B 394 -14.796 -1.152 6.760 1.00 0.00 H new TER 1214 GLY B 394 HETATM 1215 ZN ZN A 380 -10.693 3.596 -8.596 1.00 0.00 ZN HETATM 1216 ZN ZN A 381 -3.678 -7.775 -7.307 1.00 0.00 ZN HETATM 1217 ZN ZN A 382 6.983 2.455 -11.637 1.00 0.00 ZN