USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=18 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: B 387 GLN : amide:sc= -1.94 K(o=-1.9,f=-11!) USER MOD Set 1.2: B 393 THR OG1 : rot 150:sc= 0 USER MOD Single : A 311 SER OG : rot -37:sc= 0.367 USER MOD Single : A 314 SER OG : rot 180:sc= 0 USER MOD Single : A 316 LYS NZ :NH3+ 152:sc= -0.461 (180deg=-1.27) USER MOD Single : A 317 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 319 LYS NZ :NH3+ -167:sc= -0.171 (180deg=-0.874) USER MOD Single : A 323 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 332 HIS : no HD1:sc= -0.449 K(o=-0.45,f=-3.9!) USER MOD Single : A 338 GLN : amide:sc= -7.95! C(o=-7.9!,f=-9.3!) USER MOD Single : A 342 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 343 GLN : amide:sc= -3.83! C(o=-3.8!,f=-3!) USER MOD Single : A 345 MET CE :methyl -170:sc= -0.15 (180deg=-0.377) USER MOD Single : A 351 MET CE :methyl -157:sc= -0.368 (180deg=-1.74!) USER MOD Single : A 354 HIS : no HE2:sc= -10.1! C(o=-10!,f=-8.6!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 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 30:sc= -0.624 USER MOD Single : A 378 ASN : amide:sc= -2.28! C(o=-2.3!,f=-4.3!) USER MOD Single : B 385 THR OG1 : rot -148:sc= -2.61! USER MOD Single : B 386 LYS NZ :NH3+ 150:sc= -2.65 (180deg=-5.34!) USER MOD Single : B 388 THR OG1 : rot 180:sc= 0 USER MOD Single : B 391 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00878) USER MOD Single : B 392 SER OG : rot -57:sc= 0.768 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 311 -3.645 11.852 -23.558 1.00 0.00 N ATOM 2 CA SER A 311 -4.266 11.112 -22.423 1.00 0.00 C ATOM 3 C SER A 311 -3.480 11.393 -21.141 1.00 0.00 C ATOM 4 O SER A 311 -2.341 10.994 -21.000 1.00 0.00 O ATOM 5 CB SER A 311 -4.242 9.612 -22.717 1.00 0.00 C ATOM 6 OG SER A 311 -2.956 9.250 -23.204 1.00 0.00 O ATOM 0 HA SER A 311 -5.298 11.440 -22.297 1.00 0.00 H new ATOM 0 HB2 SER A 311 -4.473 9.049 -21.813 1.00 0.00 H new ATOM 0 HB3 SER A 311 -5.006 9.362 -23.453 1.00 0.00 H new ATOM 0 HG SER A 311 -2.610 9.965 -23.778 1.00 0.00 H new ATOM 14 N GLY A 312 -4.080 12.076 -20.204 1.00 0.00 N ATOM 15 CA GLY A 312 -3.366 12.381 -18.931 1.00 0.00 C ATOM 16 C GLY A 312 -3.106 11.081 -18.167 1.00 0.00 C ATOM 17 O GLY A 312 -3.776 10.088 -18.370 1.00 0.00 O ATOM 0 H GLY A 312 -5.033 12.436 -20.265 1.00 0.00 H new ATOM 0 HA2 GLY A 312 -2.423 12.886 -19.142 1.00 0.00 H new ATOM 0 HA3 GLY A 312 -3.962 13.061 -18.321 1.00 0.00 H new ATOM 21 N PRO A 313 -2.135 11.090 -17.295 1.00 0.00 N ATOM 22 CA PRO A 313 -1.765 9.894 -16.478 1.00 0.00 C ATOM 23 C PRO A 313 -2.840 9.557 -15.444 1.00 0.00 C ATOM 24 O PRO A 313 -2.924 8.447 -14.958 1.00 0.00 O ATOM 25 CB PRO A 313 -0.475 10.320 -15.777 1.00 0.00 C ATOM 26 CG PRO A 313 -0.559 11.805 -15.705 1.00 0.00 C ATOM 27 CD PRO A 313 -1.280 12.244 -16.977 1.00 0.00 C ATOM 0 HA PRO A 313 -1.654 9.000 -17.091 1.00 0.00 H new ATOM 0 HB2 PRO A 313 -0.400 9.879 -14.783 1.00 0.00 H new ATOM 0 HB3 PRO A 313 0.404 9.999 -16.336 1.00 0.00 H new ATOM 0 HG2 PRO A 313 -1.105 12.123 -14.817 1.00 0.00 H new ATOM 0 HG3 PRO A 313 0.434 12.250 -15.645 1.00 0.00 H new ATOM 0 HD2 PRO A 313 -1.867 13.148 -16.815 1.00 0.00 H new ATOM 0 HD3 PRO A 313 -0.579 12.460 -17.783 1.00 0.00 H new ATOM 35 N SER A 314 -3.657 10.513 -15.102 1.00 0.00 N ATOM 36 CA SER A 314 -4.721 10.258 -14.095 1.00 0.00 C ATOM 37 C SER A 314 -5.693 9.210 -14.635 1.00 0.00 C ATOM 38 O SER A 314 -5.982 9.163 -15.815 1.00 0.00 O ATOM 39 CB SER A 314 -5.479 11.556 -13.813 1.00 0.00 C ATOM 40 OG SER A 314 -6.346 11.840 -14.902 1.00 0.00 O ATOM 0 H SER A 314 -3.633 11.461 -15.477 1.00 0.00 H new ATOM 0 HA SER A 314 -4.268 9.894 -13.173 1.00 0.00 H new ATOM 0 HB2 SER A 314 -6.053 11.462 -12.891 1.00 0.00 H new ATOM 0 HB3 SER A 314 -4.776 12.377 -13.669 1.00 0.00 H new ATOM 0 HG SER A 314 -6.834 12.671 -14.723 1.00 0.00 H new ATOM 46 N CYS A 315 -6.197 8.371 -13.778 1.00 0.00 N ATOM 47 CA CYS A 315 -7.152 7.320 -14.232 1.00 0.00 C ATOM 48 C CYS A 315 -8.422 7.985 -14.769 1.00 0.00 C ATOM 49 O CYS A 315 -9.481 7.888 -14.181 1.00 0.00 O ATOM 50 CB CYS A 315 -7.510 6.417 -13.049 1.00 0.00 C ATOM 51 SG CYS A 315 -8.205 4.858 -13.654 1.00 0.00 S ATOM 0 H CYS A 315 -5.990 8.366 -12.779 1.00 0.00 H new ATOM 0 HA CYS A 315 -6.693 6.724 -15.021 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -6.622 6.221 -12.448 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -8.229 6.919 -12.401 1.00 0.00 H new ATOM 56 N LYS A 316 -8.326 8.657 -15.885 1.00 0.00 N ATOM 57 CA LYS A 316 -9.529 9.323 -16.457 1.00 0.00 C ATOM 58 C LYS A 316 -10.585 8.266 -16.779 1.00 0.00 C ATOM 59 O LYS A 316 -11.772 8.523 -16.733 1.00 0.00 O ATOM 60 CB LYS A 316 -9.139 10.075 -17.730 1.00 0.00 C ATOM 61 CG LYS A 316 -8.764 9.070 -18.809 1.00 0.00 C ATOM 62 CD LYS A 316 -8.213 9.810 -20.031 1.00 0.00 C ATOM 63 CE LYS A 316 -8.141 8.850 -21.219 1.00 0.00 C ATOM 64 NZ LYS A 316 -7.457 9.523 -22.360 1.00 0.00 N ATOM 0 H LYS A 316 -7.468 8.773 -16.424 1.00 0.00 H new ATOM 0 HA LYS A 316 -9.936 10.031 -15.735 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -9.968 10.697 -18.068 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -8.301 10.742 -17.530 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -8.019 8.372 -18.427 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -9.637 8.481 -19.091 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -8.852 10.659 -20.274 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -7.223 10.209 -19.812 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -7.600 7.947 -20.938 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -9.144 8.542 -21.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -6.989 8.809 -22.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -8.157 10.041 -22.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -6.747 10.189 -21.995 1.00 0.00 H new ATOM 78 N HIS A 317 -10.160 7.073 -17.091 1.00 0.00 N ATOM 79 CA HIS A 317 -11.132 5.991 -17.401 1.00 0.00 C ATOM 80 C HIS A 317 -12.007 5.778 -16.173 1.00 0.00 C ATOM 81 O HIS A 317 -13.208 5.617 -16.265 1.00 0.00 O ATOM 82 CB HIS A 317 -10.376 4.700 -17.721 1.00 0.00 C ATOM 83 CG HIS A 317 -11.348 3.647 -18.178 1.00 0.00 C ATOM 84 ND1 HIS A 317 -12.046 3.753 -19.374 1.00 0.00 N ATOM 85 CD2 HIS A 317 -11.751 2.461 -17.612 1.00 0.00 C ATOM 86 CE1 HIS A 317 -12.824 2.660 -19.487 1.00 0.00 C ATOM 87 NE2 HIS A 317 -12.679 1.845 -18.442 1.00 0.00 N ATOM 0 H HIS A 317 -9.178 6.802 -17.144 1.00 0.00 H new ATOM 0 HA HIS A 317 -11.744 6.264 -18.261 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -9.633 4.884 -18.497 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -9.837 4.354 -16.839 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -11.401 2.069 -16.669 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -13.483 2.467 -20.320 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -13.151 0.955 -18.285 1.00 0.00 H new ATOM 96 N CYS A 318 -11.403 5.794 -15.020 1.00 0.00 N ATOM 97 CA CYS A 318 -12.173 5.614 -13.769 1.00 0.00 C ATOM 98 C CYS A 318 -11.667 6.611 -12.728 1.00 0.00 C ATOM 99 O CYS A 318 -10.512 6.608 -12.352 1.00 0.00 O ATOM 100 CB CYS A 318 -11.990 4.187 -13.250 1.00 0.00 C ATOM 101 SG CYS A 318 -11.276 4.236 -11.588 1.00 0.00 S ATOM 0 H CYS A 318 -10.399 5.926 -14.894 1.00 0.00 H new ATOM 0 HA CYS A 318 -13.232 5.787 -13.960 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -12.949 3.670 -13.230 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -11.339 3.625 -13.920 1.00 0.00 H new ATOM 106 N LYS A 319 -12.524 7.469 -12.267 1.00 0.00 N ATOM 107 CA LYS A 319 -12.111 8.473 -11.253 1.00 0.00 C ATOM 108 C LYS A 319 -11.921 7.766 -9.914 1.00 0.00 C ATOM 109 O LYS A 319 -11.617 8.383 -8.914 1.00 0.00 O ATOM 110 CB LYS A 319 -13.210 9.524 -11.117 1.00 0.00 C ATOM 111 CG LYS A 319 -13.612 10.025 -12.504 1.00 0.00 C ATOM 112 CD LYS A 319 -12.438 10.759 -13.156 1.00 0.00 C ATOM 113 CE LYS A 319 -12.933 11.513 -14.391 1.00 0.00 C ATOM 114 NZ LYS A 319 -14.019 10.732 -15.047 1.00 0.00 N ATOM 0 H LYS A 319 -13.502 7.520 -12.551 1.00 0.00 H new ATOM 0 HA LYS A 319 -11.180 8.953 -11.556 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -14.075 9.098 -10.608 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -12.859 10.356 -10.506 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -13.919 9.186 -13.128 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -14.470 10.693 -12.424 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -11.991 11.455 -12.446 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -11.661 10.048 -13.438 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -13.301 12.499 -14.105 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -12.110 11.669 -15.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -14.204 11.122 -15.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -13.728 9.737 -15.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -14.884 10.791 -14.473 1.00 0.00 H new ATOM 128 N ASP A 320 -12.108 6.472 -9.899 1.00 0.00 N ATOM 129 CA ASP A 320 -11.953 5.686 -8.642 1.00 0.00 C ATOM 130 C ASP A 320 -13.263 5.718 -7.854 1.00 0.00 C ATOM 131 O ASP A 320 -13.354 6.317 -6.801 1.00 0.00 O ATOM 132 CB ASP A 320 -10.819 6.264 -7.787 1.00 0.00 C ATOM 133 CG ASP A 320 -10.197 5.152 -6.939 1.00 0.00 C ATOM 134 OD1 ASP A 320 -10.060 4.051 -7.447 1.00 0.00 O ATOM 135 OD2 ASP A 320 -9.866 5.421 -5.797 1.00 0.00 O ATOM 0 H ASP A 320 -12.365 5.920 -10.717 1.00 0.00 H new ATOM 0 HA ASP A 320 -11.707 4.655 -8.898 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -10.060 6.714 -8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -11.203 7.055 -7.143 1.00 0.00 H new ATOM 140 N ASP A 321 -14.284 5.076 -8.357 1.00 0.00 N ATOM 141 CA ASP A 321 -15.585 5.071 -7.636 1.00 0.00 C ATOM 142 C ASP A 321 -15.434 4.307 -6.322 1.00 0.00 C ATOM 143 O ASP A 321 -14.797 3.274 -6.260 1.00 0.00 O ATOM 144 CB ASP A 321 -16.648 4.393 -8.503 1.00 0.00 C ATOM 145 CG ASP A 321 -16.909 5.242 -9.749 1.00 0.00 C ATOM 146 OD1 ASP A 321 -16.474 6.381 -9.768 1.00 0.00 O ATOM 147 OD2 ASP A 321 -17.542 4.738 -10.663 1.00 0.00 O ATOM 0 H ASP A 321 -14.271 4.556 -9.235 1.00 0.00 H new ATOM 0 HA ASP A 321 -15.889 6.097 -7.427 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -16.315 3.396 -8.792 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -17.570 4.268 -7.935 1.00 0.00 H new ATOM 152 N VAL A 322 -16.018 4.807 -5.271 1.00 0.00 N ATOM 153 CA VAL A 322 -15.915 4.114 -3.958 1.00 0.00 C ATOM 154 C VAL A 322 -16.681 2.795 -4.029 1.00 0.00 C ATOM 155 O VAL A 322 -16.290 1.801 -3.452 1.00 0.00 O ATOM 156 CB VAL A 322 -16.525 5.001 -2.870 1.00 0.00 C ATOM 157 CG1 VAL A 322 -16.550 4.242 -1.542 1.00 0.00 C ATOM 158 CG2 VAL A 322 -15.680 6.267 -2.716 1.00 0.00 C ATOM 0 H VAL A 322 -16.564 5.669 -5.264 1.00 0.00 H new ATOM 0 HA VAL A 322 -14.869 3.918 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 322 -17.543 5.271 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -16.985 4.876 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -17.150 3.339 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -15.533 3.970 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -16.112 6.901 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -14.663 5.994 -2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -15.662 6.810 -3.661 1.00 0.00 H new ATOM 168 N ASN A 323 -17.774 2.786 -4.735 1.00 0.00 N ATOM 169 CA ASN A 323 -18.581 1.548 -4.855 1.00 0.00 C ATOM 170 C ASN A 323 -17.853 0.540 -5.738 1.00 0.00 C ATOM 171 O ASN A 323 -17.992 -0.656 -5.574 1.00 0.00 O ATOM 172 CB ASN A 323 -19.933 1.893 -5.479 1.00 0.00 C ATOM 173 CG ASN A 323 -20.720 2.797 -4.528 1.00 0.00 C ATOM 174 OD1 ASN A 323 -20.422 2.866 -3.353 1.00 0.00 O ATOM 175 ND2 ASN A 323 -21.719 3.498 -4.991 1.00 0.00 N ATOM 0 H ASN A 323 -18.145 3.592 -5.238 1.00 0.00 H new ATOM 0 HA ASN A 323 -18.730 1.112 -3.867 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -19.786 2.394 -6.436 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -20.496 0.981 -5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -22.250 4.104 -4.366 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -21.969 3.440 -5.978 1.00 0.00 H new ATOM 182 N ARG A 324 -17.095 1.015 -6.690 1.00 0.00 N ATOM 183 CA ARG A 324 -16.378 0.082 -7.603 1.00 0.00 C ATOM 184 C ARG A 324 -14.892 0.440 -7.686 1.00 0.00 C ATOM 185 O ARG A 324 -14.525 1.585 -7.867 1.00 0.00 O ATOM 186 CB ARG A 324 -16.996 0.201 -8.994 1.00 0.00 C ATOM 187 CG ARG A 324 -18.451 -0.264 -8.948 1.00 0.00 C ATOM 188 CD ARG A 324 -19.036 -0.245 -10.361 1.00 0.00 C ATOM 189 NE ARG A 324 -20.502 -0.503 -10.298 1.00 0.00 N ATOM 190 CZ ARG A 324 -21.206 -0.531 -11.395 1.00 0.00 C ATOM 191 NH1 ARG A 324 -20.627 -0.333 -12.547 1.00 0.00 N ATOM 192 NH2 ARG A 324 -22.491 -0.757 -11.342 1.00 0.00 N ATOM 0 H ARG A 324 -16.942 2.007 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 324 -16.470 -0.935 -7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -16.944 1.234 -9.339 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -16.433 -0.402 -9.706 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -18.510 -1.270 -8.532 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -19.031 0.386 -8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -18.846 0.720 -10.831 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -18.550 -1.001 -10.977 1.00 0.00 H new ATOM 0 HE ARG A 324 -20.955 -0.658 -9.397 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -19.623 -0.156 -12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -21.178 -0.355 -13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -22.945 -0.912 -10.442 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -23.041 -0.779 -12.201 1.00 0.00 H new ATOM 206 N LEU A 325 -14.033 -0.540 -7.580 1.00 0.00 N ATOM 207 CA LEU A 325 -12.572 -0.272 -7.682 1.00 0.00 C ATOM 208 C LEU A 325 -12.089 -0.723 -9.063 1.00 0.00 C ATOM 209 O LEU A 325 -12.516 -1.743 -9.569 1.00 0.00 O ATOM 210 CB LEU A 325 -11.827 -1.051 -6.594 1.00 0.00 C ATOM 211 CG LEU A 325 -11.069 -0.074 -5.694 1.00 0.00 C ATOM 212 CD1 LEU A 325 -10.464 -0.832 -4.512 1.00 0.00 C ATOM 213 CD2 LEU A 325 -9.950 0.599 -6.494 1.00 0.00 C ATOM 0 H LEU A 325 -14.283 -1.517 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 325 -12.378 0.792 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -12.532 -1.634 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -11.132 -1.757 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 325 -11.758 0.685 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -9.924 -0.135 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -11.260 -1.309 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -9.776 -1.593 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -9.411 1.295 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -9.261 -0.160 -6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -10.380 1.142 -7.336 1.00 0.00 H new ATOM 225 N CYS A 326 -11.213 0.021 -9.684 1.00 0.00 N ATOM 226 CA CYS A 326 -10.723 -0.381 -11.034 1.00 0.00 C ATOM 227 C CYS A 326 -9.318 -0.977 -10.927 1.00 0.00 C ATOM 228 O CYS A 326 -8.604 -0.743 -9.976 1.00 0.00 O ATOM 229 CB CYS A 326 -10.706 0.836 -11.954 1.00 0.00 C ATOM 230 SG CYS A 326 -9.013 1.431 -12.152 1.00 0.00 S ATOM 0 H CYS A 326 -10.817 0.886 -9.317 1.00 0.00 H new ATOM 0 HA CYS A 326 -11.392 -1.135 -11.448 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -11.125 0.574 -12.926 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -11.332 1.626 -11.539 1.00 0.00 H new ATOM 235 N ARG A 327 -8.929 -1.764 -11.893 1.00 0.00 N ATOM 236 CA ARG A 327 -7.583 -2.408 -11.856 1.00 0.00 C ATOM 237 C ARG A 327 -6.472 -1.355 -11.790 1.00 0.00 C ATOM 238 O ARG A 327 -5.487 -1.529 -11.102 1.00 0.00 O ATOM 239 CB ARG A 327 -7.403 -3.253 -13.117 1.00 0.00 C ATOM 240 CG ARG A 327 -8.443 -4.374 -13.130 1.00 0.00 C ATOM 241 CD ARG A 327 -8.236 -5.251 -14.365 1.00 0.00 C ATOM 242 NE ARG A 327 -9.355 -6.229 -14.472 1.00 0.00 N ATOM 243 CZ ARG A 327 -9.616 -6.798 -15.617 1.00 0.00 C ATOM 244 NH1 ARG A 327 -8.901 -6.505 -16.669 1.00 0.00 N ATOM 245 NH2 ARG A 327 -10.594 -7.657 -15.711 1.00 0.00 N ATOM 0 H ARG A 327 -9.491 -1.991 -12.714 1.00 0.00 H new ATOM 0 HA ARG A 327 -7.518 -3.033 -10.965 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -7.513 -2.630 -14.004 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -6.398 -3.674 -13.146 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -8.355 -4.976 -12.225 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -9.448 -3.952 -13.136 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -8.193 -4.632 -15.261 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -7.284 -5.777 -14.295 1.00 0.00 H new ATOM 0 HE ARG A 327 -9.917 -6.454 -13.651 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -8.138 -5.831 -16.596 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -9.105 -6.950 -17.564 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -11.154 -7.884 -14.889 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -10.798 -8.102 -16.606 1.00 0.00 H new ATOM 259 N VAL A 328 -6.612 -0.269 -12.499 1.00 0.00 N ATOM 260 CA VAL A 328 -5.545 0.773 -12.465 1.00 0.00 C ATOM 261 C VAL A 328 -5.457 1.352 -11.052 1.00 0.00 C ATOM 262 O VAL A 328 -4.387 1.616 -10.541 1.00 0.00 O ATOM 263 CB VAL A 328 -5.869 1.883 -13.468 1.00 0.00 C ATOM 264 CG1 VAL A 328 -4.812 2.980 -13.377 1.00 0.00 C ATOM 265 CG2 VAL A 328 -5.876 1.301 -14.884 1.00 0.00 C ATOM 0 H VAL A 328 -7.412 -0.058 -13.096 1.00 0.00 H new ATOM 0 HA VAL A 328 -4.588 0.327 -12.736 1.00 0.00 H new ATOM 0 HB VAL A 328 -6.848 2.304 -13.239 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -5.044 3.769 -14.092 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -4.804 3.394 -12.369 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -3.832 2.561 -13.605 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -6.107 2.090 -15.600 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -4.896 0.881 -15.110 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -6.631 0.517 -14.952 1.00 0.00 H new ATOM 275 N CYS A 329 -6.577 1.534 -10.413 1.00 0.00 N ATOM 276 CA CYS A 329 -6.575 2.077 -9.027 1.00 0.00 C ATOM 277 C CYS A 329 -6.593 0.908 -8.044 1.00 0.00 C ATOM 278 O CYS A 329 -6.415 1.075 -6.854 1.00 0.00 O ATOM 279 CB CYS A 329 -7.825 2.936 -8.813 1.00 0.00 C ATOM 280 SG CYS A 329 -7.831 4.306 -9.994 1.00 0.00 S ATOM 0 H CYS A 329 -7.501 1.329 -10.794 1.00 0.00 H new ATOM 0 HA CYS A 329 -5.686 2.687 -8.868 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -8.721 2.329 -8.940 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -7.843 3.322 -7.794 1.00 0.00 H new ATOM 285 N ALA A 330 -6.821 -0.277 -8.544 1.00 0.00 N ATOM 286 CA ALA A 330 -6.868 -1.476 -7.660 1.00 0.00 C ATOM 287 C ALA A 330 -5.717 -2.418 -8.017 1.00 0.00 C ATOM 288 O ALA A 330 -4.582 -2.004 -8.152 1.00 0.00 O ATOM 289 CB ALA A 330 -8.201 -2.197 -7.873 1.00 0.00 C ATOM 0 H ALA A 330 -6.978 -0.466 -9.534 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.774 -1.171 -6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -8.246 -3.076 -7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -9.022 -1.524 -7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -8.286 -2.504 -8.915 1.00 0.00 H new ATOM 295 N CYS A 331 -6.001 -3.682 -8.177 1.00 0.00 N ATOM 296 CA CYS A 331 -4.924 -4.648 -8.532 1.00 0.00 C ATOM 297 C CYS A 331 -4.690 -4.601 -10.040 1.00 0.00 C ATOM 298 O CYS A 331 -5.577 -4.279 -10.806 1.00 0.00 O ATOM 299 CB CYS A 331 -5.346 -6.061 -8.132 1.00 0.00 C ATOM 300 SG CYS A 331 -4.105 -6.775 -7.025 1.00 0.00 S ATOM 0 H CYS A 331 -6.932 -4.087 -8.077 1.00 0.00 H new ATOM 0 HA CYS A 331 -4.008 -4.382 -8.004 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -6.317 -6.035 -7.638 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -5.457 -6.683 -9.020 1.00 0.00 H new ATOM 305 N HIS A 332 -3.503 -4.914 -10.475 1.00 0.00 N ATOM 306 CA HIS A 332 -3.218 -4.880 -11.934 1.00 0.00 C ATOM 307 C HIS A 332 -4.190 -5.806 -12.675 1.00 0.00 C ATOM 308 O HIS A 332 -4.694 -5.466 -13.727 1.00 0.00 O ATOM 309 CB HIS A 332 -1.778 -5.337 -12.183 1.00 0.00 C ATOM 310 CG HIS A 332 -1.410 -5.084 -13.619 1.00 0.00 C ATOM 311 ND1 HIS A 332 -1.452 -6.083 -14.582 1.00 0.00 N ATOM 312 CD2 HIS A 332 -0.989 -3.951 -14.272 1.00 0.00 C ATOM 313 CE1 HIS A 332 -1.067 -5.537 -15.750 1.00 0.00 C ATOM 314 NE2 HIS A 332 -0.775 -4.243 -15.614 1.00 0.00 N ATOM 0 H HIS A 332 -2.719 -5.191 -9.884 1.00 0.00 H new ATOM 0 HA HIS A 332 -3.344 -3.862 -12.303 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -1.096 -4.801 -11.522 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -1.677 -6.398 -11.953 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -0.846 -2.984 -13.814 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -1.003 -6.079 -16.682 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -0.460 -3.602 -16.342 1.00 0.00 H new ATOM 323 N LEU A 333 -4.456 -6.975 -12.141 1.00 0.00 N ATOM 324 CA LEU A 333 -5.392 -7.916 -12.832 1.00 0.00 C ATOM 325 C LEU A 333 -6.499 -8.378 -11.877 1.00 0.00 C ATOM 326 O LEU A 333 -7.639 -8.528 -12.266 1.00 0.00 O ATOM 327 CB LEU A 333 -4.616 -9.145 -13.314 1.00 0.00 C ATOM 328 CG LEU A 333 -3.389 -8.706 -14.116 1.00 0.00 C ATOM 329 CD1 LEU A 333 -2.577 -9.939 -14.519 1.00 0.00 C ATOM 330 CD2 LEU A 333 -3.838 -7.966 -15.379 1.00 0.00 C ATOM 0 H LEU A 333 -4.067 -7.316 -11.262 1.00 0.00 H new ATOM 0 HA LEU A 333 -5.842 -7.395 -13.677 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -4.306 -9.748 -12.460 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -5.259 -9.773 -13.931 1.00 0.00 H new ATOM 0 HG LEU A 333 -2.776 -8.045 -13.504 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -1.703 -9.628 -15.090 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -2.255 -10.471 -13.624 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -3.194 -10.597 -15.130 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -2.963 -7.654 -15.949 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -4.452 -8.628 -15.990 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -4.420 -7.088 -15.099 1.00 0.00 H new ATOM 342 N CYS A 334 -6.172 -8.630 -10.639 1.00 0.00 N ATOM 343 CA CYS A 334 -7.209 -9.112 -9.679 1.00 0.00 C ATOM 344 C CYS A 334 -8.368 -8.113 -9.591 1.00 0.00 C ATOM 345 O CYS A 334 -9.518 -8.474 -9.737 1.00 0.00 O ATOM 346 CB CYS A 334 -6.583 -9.294 -8.293 1.00 0.00 C ATOM 347 SG CYS A 334 -4.984 -10.129 -8.455 1.00 0.00 S ATOM 0 H CYS A 334 -5.235 -8.524 -10.250 1.00 0.00 H new ATOM 0 HA CYS A 334 -7.596 -10.067 -10.035 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -6.452 -8.325 -7.812 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -7.247 -9.878 -7.656 1.00 0.00 H new ATOM 352 N GLY A 335 -8.080 -6.866 -9.349 1.00 0.00 N ATOM 353 CA GLY A 335 -9.175 -5.856 -9.251 1.00 0.00 C ATOM 354 C GLY A 335 -9.989 -6.114 -7.982 1.00 0.00 C ATOM 355 O GLY A 335 -11.159 -5.792 -7.908 1.00 0.00 O ATOM 0 H GLY A 335 -7.137 -6.501 -9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -8.756 -4.850 -9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -9.819 -5.915 -10.128 1.00 0.00 H new ATOM 359 N GLY A 336 -9.383 -6.696 -6.983 1.00 0.00 N ATOM 360 CA GLY A 336 -10.127 -6.979 -5.723 1.00 0.00 C ATOM 361 C GLY A 336 -9.982 -5.800 -4.760 1.00 0.00 C ATOM 362 O GLY A 336 -9.369 -4.799 -5.077 1.00 0.00 O ATOM 0 H GLY A 336 -8.406 -6.987 -6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -11.180 -7.153 -5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -9.744 -7.888 -5.260 1.00 0.00 H new ATOM 366 N ARG A 337 -10.533 -5.914 -3.582 1.00 0.00 N ATOM 367 CA ARG A 337 -10.419 -4.809 -2.593 1.00 0.00 C ATOM 368 C ARG A 337 -9.398 -5.210 -1.529 1.00 0.00 C ATOM 369 O ARG A 337 -9.560 -6.199 -0.844 1.00 0.00 O ATOM 370 CB ARG A 337 -11.778 -4.569 -1.934 1.00 0.00 C ATOM 371 CG ARG A 337 -12.787 -4.118 -2.992 1.00 0.00 C ATOM 372 CD ARG A 337 -14.117 -3.775 -2.317 1.00 0.00 C ATOM 373 NE ARG A 337 -15.155 -3.540 -3.359 1.00 0.00 N ATOM 374 CZ ARG A 337 -15.712 -4.552 -3.964 1.00 0.00 C ATOM 375 NH1 ARG A 337 -15.357 -5.770 -3.657 1.00 0.00 N ATOM 376 NH2 ARG A 337 -16.623 -4.349 -4.876 1.00 0.00 N ATOM 0 H ARG A 337 -11.058 -6.728 -3.263 1.00 0.00 H new ATOM 0 HA ARG A 337 -10.099 -3.894 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -12.126 -5.482 -1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -11.688 -3.811 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -12.404 -3.249 -3.528 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -12.934 -4.907 -3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -14.424 -4.588 -1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -14.003 -2.887 -1.695 1.00 0.00 H new ATOM 0 HE ARG A 337 -15.430 -2.588 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -14.645 -5.929 -2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -15.792 -6.562 -4.130 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -16.901 -3.397 -5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -17.058 -5.142 -5.348 1.00 0.00 H new ATOM 390 N GLN A 338 -8.338 -4.461 -1.396 1.00 0.00 N ATOM 391 CA GLN A 338 -7.303 -4.816 -0.387 1.00 0.00 C ATOM 392 C GLN A 338 -6.791 -3.548 0.303 1.00 0.00 C ATOM 393 O GLN A 338 -6.908 -2.456 -0.216 1.00 0.00 O ATOM 394 CB GLN A 338 -6.149 -5.526 -1.095 1.00 0.00 C ATOM 395 CG GLN A 338 -6.656 -6.846 -1.684 1.00 0.00 C ATOM 396 CD GLN A 338 -5.529 -7.539 -2.450 1.00 0.00 C ATOM 397 OE1 GLN A 338 -5.596 -8.724 -2.709 1.00 0.00 O ATOM 398 NE2 GLN A 338 -4.499 -6.843 -2.843 1.00 0.00 N ATOM 0 H GLN A 338 -8.145 -3.621 -1.941 1.00 0.00 H new ATOM 0 HA GLN A 338 -7.733 -5.474 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -5.746 -4.892 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -5.337 -5.715 -0.393 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -7.019 -7.495 -0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -7.498 -6.658 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -4.443 -5.848 -2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -3.749 -7.293 -3.368 1.00 0.00 H new ATOM 407 N ASP A 339 -6.222 -3.688 1.470 1.00 0.00 N ATOM 408 CA ASP A 339 -5.699 -2.494 2.194 1.00 0.00 C ATOM 409 C ASP A 339 -4.465 -1.958 1.463 1.00 0.00 C ATOM 410 O ASP A 339 -3.815 -2.672 0.726 1.00 0.00 O ATOM 411 CB ASP A 339 -5.314 -2.891 3.620 1.00 0.00 C ATOM 412 CG ASP A 339 -6.294 -2.255 4.609 1.00 0.00 C ATOM 413 OD1 ASP A 339 -7.481 -2.499 4.475 1.00 0.00 O ATOM 414 OD2 ASP A 339 -5.840 -1.536 5.484 1.00 0.00 O ATOM 0 H ASP A 339 -6.097 -4.578 1.953 1.00 0.00 H new ATOM 0 HA ASP A 339 -6.468 -1.722 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -5.329 -3.976 3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -4.297 -2.564 3.838 1.00 0.00 H new ATOM 419 N PRO A 340 -4.151 -0.706 1.663 1.00 0.00 N ATOM 420 CA PRO A 340 -2.978 -0.059 1.008 1.00 0.00 C ATOM 421 C PRO A 340 -1.660 -0.749 1.366 1.00 0.00 C ATOM 422 O PRO A 340 -0.750 -0.819 0.564 1.00 0.00 O ATOM 423 CB PRO A 340 -2.988 1.380 1.541 1.00 0.00 C ATOM 424 CG PRO A 340 -3.890 1.372 2.734 1.00 0.00 C ATOM 425 CD PRO A 340 -4.875 0.225 2.535 1.00 0.00 C ATOM 0 HA PRO A 340 -3.051 -0.115 -0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -1.983 1.702 1.814 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -3.350 2.074 0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -3.317 1.234 3.651 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -4.417 2.322 2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -5.144 -0.241 3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -5.801 0.568 2.074 1.00 0.00 H new ATOM 433 N ASP A 341 -1.551 -1.268 2.556 1.00 0.00 N ATOM 434 CA ASP A 341 -0.294 -1.958 2.944 1.00 0.00 C ATOM 435 C ASP A 341 -0.184 -3.263 2.157 1.00 0.00 C ATOM 436 O ASP A 341 0.894 -3.713 1.822 1.00 0.00 O ATOM 437 CB ASP A 341 -0.328 -2.263 4.442 1.00 0.00 C ATOM 438 CG ASP A 341 -0.311 -0.951 5.229 1.00 0.00 C ATOM 439 OD1 ASP A 341 -0.027 0.073 4.631 1.00 0.00 O ATOM 440 OD2 ASP A 341 -0.584 -0.994 6.417 1.00 0.00 O ATOM 0 H ASP A 341 -2.276 -1.244 3.273 1.00 0.00 H new ATOM 0 HA ASP A 341 0.564 -1.323 2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -1.223 -2.835 4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 341 0.529 -2.877 4.719 1.00 0.00 H new ATOM 445 N LYS A 342 -1.300 -3.869 1.852 1.00 0.00 N ATOM 446 CA LYS A 342 -1.275 -5.140 1.078 1.00 0.00 C ATOM 447 C LYS A 342 -0.943 -4.837 -0.383 1.00 0.00 C ATOM 448 O LYS A 342 -0.213 -5.563 -1.030 1.00 0.00 O ATOM 449 CB LYS A 342 -2.648 -5.810 1.159 1.00 0.00 C ATOM 450 CG LYS A 342 -3.074 -5.959 2.624 1.00 0.00 C ATOM 451 CD LYS A 342 -2.119 -6.910 3.353 1.00 0.00 C ATOM 452 CE LYS A 342 -2.746 -7.341 4.681 1.00 0.00 C ATOM 453 NZ LYS A 342 -3.141 -8.776 4.601 1.00 0.00 N ATOM 0 H LYS A 342 -2.230 -3.536 2.107 1.00 0.00 H new ATOM 0 HA LYS A 342 -0.519 -5.806 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -3.384 -5.216 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -2.613 -6.789 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -3.073 -4.985 3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -4.093 -6.342 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -1.915 -7.784 2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -1.164 -6.417 3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -2.037 -7.193 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -3.618 -6.724 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -3.567 -9.070 5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -3.832 -8.904 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -2.300 -9.357 4.410 1.00 0.00 H new ATOM 467 N GLN A 343 -1.480 -3.768 -0.906 1.00 0.00 N ATOM 468 CA GLN A 343 -1.211 -3.406 -2.325 1.00 0.00 C ATOM 469 C GLN A 343 -0.349 -2.145 -2.378 1.00 0.00 C ATOM 470 O GLN A 343 -0.673 -1.136 -1.782 1.00 0.00 O ATOM 471 CB GLN A 343 -2.535 -3.147 -3.047 1.00 0.00 C ATOM 472 CG GLN A 343 -2.272 -2.953 -4.542 1.00 0.00 C ATOM 473 CD GLN A 343 -1.932 -4.302 -5.177 1.00 0.00 C ATOM 474 OE1 GLN A 343 -2.781 -5.163 -5.294 1.00 0.00 O ATOM 475 NE2 GLN A 343 -0.715 -4.526 -5.592 1.00 0.00 N ATOM 0 H GLN A 343 -2.097 -3.127 -0.407 1.00 0.00 H new ATOM 0 HA GLN A 343 -0.685 -4.226 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -3.216 -3.984 -2.892 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -3.019 -2.262 -2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -3.150 -2.523 -5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -1.451 -2.252 -4.690 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -0.002 -3.804 -5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -0.477 -5.424 -6.014 1.00 0.00 H new ATOM 484 N LEU A 344 0.746 -2.196 -3.087 1.00 0.00 N ATOM 485 CA LEU A 344 1.635 -1.006 -3.181 1.00 0.00 C ATOM 486 C LEU A 344 1.574 -0.420 -4.593 1.00 0.00 C ATOM 487 O LEU A 344 1.699 -1.125 -5.577 1.00 0.00 O ATOM 488 CB LEU A 344 3.073 -1.419 -2.871 1.00 0.00 C ATOM 489 CG LEU A 344 3.971 -0.179 -2.868 1.00 0.00 C ATOM 490 CD1 LEU A 344 3.603 0.720 -1.685 1.00 0.00 C ATOM 491 CD2 LEU A 344 5.436 -0.609 -2.747 1.00 0.00 C ATOM 0 H LEU A 344 1.063 -3.014 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 344 1.303 -0.256 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.119 -1.917 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 344 3.425 -2.134 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 344 3.829 0.372 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 344 4.244 1.602 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 344 2.561 1.028 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 344 3.742 0.171 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 344 6.075 0.274 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.577 -1.162 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 344 5.699 -1.246 -3.592 1.00 0.00 H new ATOM 503 N MET A 345 1.401 0.870 -4.691 1.00 0.00 N ATOM 504 CA MET A 345 1.351 1.524 -6.028 1.00 0.00 C ATOM 505 C MET A 345 2.624 2.349 -6.232 1.00 0.00 C ATOM 506 O MET A 345 3.214 2.841 -5.292 1.00 0.00 O ATOM 507 CB MET A 345 0.124 2.436 -6.114 1.00 0.00 C ATOM 508 CG MET A 345 0.066 3.074 -7.504 1.00 0.00 C ATOM 509 SD MET A 345 -1.407 4.119 -7.631 1.00 0.00 S ATOM 510 CE MET A 345 -2.591 2.797 -7.985 1.00 0.00 C ATOM 0 H MET A 345 1.292 1.502 -3.898 1.00 0.00 H new ATOM 0 HA MET A 345 1.281 0.762 -6.804 1.00 0.00 H new ATOM 0 HB2 MET A 345 -0.784 1.863 -5.926 1.00 0.00 H new ATOM 0 HB3 MET A 345 0.177 3.210 -5.348 1.00 0.00 H new ATOM 0 HG2 MET A 345 0.962 3.669 -7.680 1.00 0.00 H new ATOM 0 HG3 MET A 345 0.042 2.299 -8.270 1.00 0.00 H new ATOM 0 HE1 MET A 345 -3.546 3.233 -8.278 1.00 0.00 H new ATOM 0 HE2 MET A 345 -2.211 2.176 -8.797 1.00 0.00 H new ATOM 0 HE3 MET A 345 -2.730 2.184 -7.094 1.00 0.00 H new ATOM 520 N CYS A 346 3.061 2.496 -7.448 1.00 0.00 N ATOM 521 CA CYS A 346 4.301 3.283 -7.703 1.00 0.00 C ATOM 522 C CYS A 346 3.923 4.647 -8.291 1.00 0.00 C ATOM 523 O CYS A 346 3.186 4.741 -9.249 1.00 0.00 O ATOM 524 CB CYS A 346 5.186 2.499 -8.671 1.00 0.00 C ATOM 525 SG CYS A 346 6.256 3.625 -9.589 1.00 0.00 S ATOM 0 H CYS A 346 2.615 2.106 -8.278 1.00 0.00 H new ATOM 0 HA CYS A 346 4.849 3.449 -6.775 1.00 0.00 H new ATOM 0 HB2 CYS A 346 5.791 1.779 -8.120 1.00 0.00 H new ATOM 0 HB3 CYS A 346 4.565 1.930 -9.363 1.00 0.00 H new ATOM 530 N ASP A 347 4.401 5.709 -7.702 1.00 0.00 N ATOM 531 CA ASP A 347 4.047 7.072 -8.201 1.00 0.00 C ATOM 532 C ASP A 347 4.475 7.251 -9.659 1.00 0.00 C ATOM 533 O ASP A 347 3.789 7.880 -10.440 1.00 0.00 O ATOM 534 CB ASP A 347 4.746 8.125 -7.340 1.00 0.00 C ATOM 535 CG ASP A 347 4.111 9.494 -7.593 1.00 0.00 C ATOM 536 OD1 ASP A 347 3.053 9.531 -8.200 1.00 0.00 O ATOM 537 OD2 ASP A 347 4.693 10.481 -7.176 1.00 0.00 O ATOM 0 H ASP A 347 5.023 5.693 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 347 2.965 7.191 -8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 347 4.662 7.862 -6.285 1.00 0.00 H new ATOM 0 HB3 ASP A 347 5.810 8.156 -7.577 1.00 0.00 H new ATOM 542 N GLU A 348 5.606 6.729 -10.031 1.00 0.00 N ATOM 543 CA GLU A 348 6.073 6.898 -11.434 1.00 0.00 C ATOM 544 C GLU A 348 5.094 6.235 -12.408 1.00 0.00 C ATOM 545 O GLU A 348 4.824 6.757 -13.472 1.00 0.00 O ATOM 546 CB GLU A 348 7.457 6.268 -11.575 1.00 0.00 C ATOM 547 CG GLU A 348 8.479 7.080 -10.774 1.00 0.00 C ATOM 548 CD GLU A 348 8.590 8.490 -11.357 1.00 0.00 C ATOM 549 OE1 GLU A 348 8.156 8.681 -12.482 1.00 0.00 O ATOM 550 OE2 GLU A 348 9.107 9.356 -10.670 1.00 0.00 O ATOM 0 H GLU A 348 6.228 6.193 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 348 6.125 7.961 -11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 348 7.436 5.238 -11.218 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.747 6.236 -12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 348 8.177 7.132 -9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 348 9.451 6.587 -10.801 1.00 0.00 H new ATOM 557 N CYS A 349 4.554 5.099 -12.057 1.00 0.00 N ATOM 558 CA CYS A 349 3.586 4.418 -12.968 1.00 0.00 C ATOM 559 C CYS A 349 2.349 3.995 -12.172 1.00 0.00 C ATOM 560 O CYS A 349 2.443 3.570 -11.040 1.00 0.00 O ATOM 561 CB CYS A 349 4.242 3.189 -13.602 1.00 0.00 C ATOM 562 SG CYS A 349 4.557 1.943 -12.330 1.00 0.00 S ATOM 0 H CYS A 349 4.740 4.613 -11.180 1.00 0.00 H new ATOM 0 HA CYS A 349 3.289 5.107 -13.759 1.00 0.00 H new ATOM 0 HB2 CYS A 349 3.594 2.777 -14.376 1.00 0.00 H new ATOM 0 HB3 CYS A 349 5.176 3.473 -14.086 1.00 0.00 H new ATOM 567 N ASP A 350 1.187 4.114 -12.752 1.00 0.00 N ATOM 568 CA ASP A 350 -0.055 3.732 -12.020 1.00 0.00 C ATOM 569 C ASP A 350 -0.133 2.212 -11.861 1.00 0.00 C ATOM 570 O ASP A 350 -1.200 1.649 -11.717 1.00 0.00 O ATOM 571 CB ASP A 350 -1.277 4.236 -12.789 1.00 0.00 C ATOM 572 CG ASP A 350 -1.301 5.766 -12.757 1.00 0.00 C ATOM 573 OD1 ASP A 350 -0.598 6.333 -11.937 1.00 0.00 O ATOM 574 OD2 ASP A 350 -2.023 6.344 -13.554 1.00 0.00 O ATOM 0 H ASP A 350 1.043 4.459 -13.701 1.00 0.00 H new ATOM 0 HA ASP A 350 -0.036 4.186 -11.029 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -1.243 3.883 -13.820 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -2.190 3.837 -12.346 1.00 0.00 H new ATOM 579 N MET A 351 0.988 1.549 -11.870 1.00 0.00 N ATOM 580 CA MET A 351 0.979 0.066 -11.703 1.00 0.00 C ATOM 581 C MET A 351 1.392 -0.282 -10.273 1.00 0.00 C ATOM 582 O MET A 351 2.132 0.445 -9.639 1.00 0.00 O ATOM 583 CB MET A 351 1.963 -0.575 -12.684 1.00 0.00 C ATOM 584 CG MET A 351 1.432 -0.426 -14.111 1.00 0.00 C ATOM 585 SD MET A 351 2.476 -1.373 -15.246 1.00 0.00 S ATOM 586 CE MET A 351 4.025 -0.502 -14.909 1.00 0.00 C ATOM 0 H MET A 351 1.911 1.967 -11.986 1.00 0.00 H new ATOM 0 HA MET A 351 -0.024 -0.313 -11.902 1.00 0.00 H new ATOM 0 HB2 MET A 351 2.940 -0.101 -12.597 1.00 0.00 H new ATOM 0 HB3 MET A 351 2.098 -1.629 -12.443 1.00 0.00 H new ATOM 0 HG2 MET A 351 0.403 -0.780 -14.166 1.00 0.00 H new ATOM 0 HG3 MET A 351 1.424 0.625 -14.399 1.00 0.00 H new ATOM 0 HE1 MET A 351 4.702 -0.622 -15.755 1.00 0.00 H new ATOM 0 HE2 MET A 351 3.821 0.558 -14.755 1.00 0.00 H new ATOM 0 HE3 MET A 351 4.488 -0.916 -14.013 1.00 0.00 H new ATOM 596 N ALA A 352 0.919 -1.388 -9.760 1.00 0.00 N ATOM 597 CA ALA A 352 1.284 -1.784 -8.370 1.00 0.00 C ATOM 598 C ALA A 352 2.007 -3.127 -8.392 1.00 0.00 C ATOM 599 O ALA A 352 2.308 -3.663 -9.441 1.00 0.00 O ATOM 600 CB ALA A 352 0.015 -1.900 -7.523 1.00 0.00 C ATOM 0 H ALA A 352 0.296 -2.033 -10.245 1.00 0.00 H new ATOM 0 HA ALA A 352 1.941 -1.028 -7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 352 0.281 -2.190 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -0.499 -0.939 -7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -0.643 -2.654 -7.955 1.00 0.00 H new ATOM 606 N PHE A 353 2.299 -3.667 -7.240 1.00 0.00 N ATOM 607 CA PHE A 353 3.018 -4.968 -7.186 1.00 0.00 C ATOM 608 C PHE A 353 2.090 -6.062 -6.648 1.00 0.00 C ATOM 609 O PHE A 353 1.518 -5.946 -5.583 1.00 0.00 O ATOM 610 CB PHE A 353 4.234 -4.815 -6.277 1.00 0.00 C ATOM 611 CG PHE A 353 5.157 -3.782 -6.876 1.00 0.00 C ATOM 612 CD1 PHE A 353 4.997 -2.430 -6.555 1.00 0.00 C ATOM 613 CD2 PHE A 353 6.168 -4.177 -7.759 1.00 0.00 C ATOM 614 CE1 PHE A 353 5.848 -1.472 -7.115 1.00 0.00 C ATOM 615 CE2 PHE A 353 7.020 -3.220 -8.319 1.00 0.00 C ATOM 616 CZ PHE A 353 6.861 -1.867 -7.996 1.00 0.00 C ATOM 0 H PHE A 353 2.069 -3.261 -6.333 1.00 0.00 H new ATOM 0 HA PHE A 353 3.339 -5.255 -8.187 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.923 -4.510 -5.278 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.751 -5.769 -6.173 1.00 0.00 H new ATOM 0 HD1 PHE A 353 4.216 -2.126 -5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 353 6.290 -5.221 -8.008 1.00 0.00 H new ATOM 0 HE1 PHE A 353 5.724 -0.428 -6.868 1.00 0.00 H new ATOM 0 HE2 PHE A 353 7.801 -3.524 -9.001 1.00 0.00 H new ATOM 0 HZ PHE A 353 7.520 -1.128 -8.427 1.00 0.00 H new ATOM 626 N HIS A 354 1.943 -7.123 -7.392 1.00 0.00 N ATOM 627 CA HIS A 354 1.058 -8.244 -6.961 1.00 0.00 C ATOM 628 C HIS A 354 1.676 -9.018 -5.797 1.00 0.00 C ATOM 629 O HIS A 354 1.268 -10.126 -5.513 1.00 0.00 O ATOM 630 CB HIS A 354 0.851 -9.209 -8.128 1.00 0.00 C ATOM 631 CG HIS A 354 -0.394 -8.873 -8.918 1.00 0.00 C ATOM 632 ND1 HIS A 354 -0.645 -9.467 -10.146 1.00 0.00 N ATOM 633 CD2 HIS A 354 -1.481 -8.053 -8.677 1.00 0.00 C ATOM 634 CE1 HIS A 354 -1.828 -9.011 -10.588 1.00 0.00 C ATOM 635 NE2 HIS A 354 -2.380 -8.151 -9.731 1.00 0.00 N ATOM 0 H HIS A 354 2.404 -7.264 -8.291 1.00 0.00 H new ATOM 0 HA HIS A 354 0.107 -7.818 -6.640 1.00 0.00 H new ATOM 0 HB2 HIS A 354 1.719 -9.176 -8.786 1.00 0.00 H new ATOM 0 HB3 HIS A 354 0.777 -10.228 -7.749 1.00 0.00 H new ATOM 0 HD1 HIS A 354 -0.039 -10.132 -10.627 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -1.611 -7.432 -7.803 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -2.278 -9.305 -11.525 1.00 0.00 H new ATOM 643 N ILE A 355 2.658 -8.476 -5.130 1.00 0.00 N ATOM 644 CA ILE A 355 3.271 -9.239 -4.006 1.00 0.00 C ATOM 645 C ILE A 355 2.153 -9.877 -3.182 1.00 0.00 C ATOM 646 O ILE A 355 2.291 -10.966 -2.665 1.00 0.00 O ATOM 647 CB ILE A 355 4.121 -8.308 -3.123 1.00 0.00 C ATOM 648 CG1 ILE A 355 3.270 -7.656 -2.020 1.00 0.00 C ATOM 649 CG2 ILE A 355 4.714 -7.206 -3.992 1.00 0.00 C ATOM 650 CD1 ILE A 355 3.048 -8.631 -0.857 1.00 0.00 C ATOM 0 H ILE A 355 3.057 -7.555 -5.310 1.00 0.00 H new ATOM 0 HA ILE A 355 3.926 -10.014 -4.404 1.00 0.00 H new ATOM 0 HB ILE A 355 4.906 -8.902 -2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 355 3.765 -6.756 -1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 355 2.309 -7.347 -2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 355 5.318 -6.541 -3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 355 5.339 -7.650 -4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 355 3.909 -6.637 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 355 2.444 -8.149 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 355 2.532 -9.519 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 355 4.011 -8.918 -0.434 1.00 0.00 H new ATOM 662 N TYR A 356 1.045 -9.206 -3.069 1.00 0.00 N ATOM 663 CA TYR A 356 -0.093 -9.766 -2.294 1.00 0.00 C ATOM 664 C TYR A 356 -0.713 -10.949 -3.045 1.00 0.00 C ATOM 665 O TYR A 356 -1.139 -11.919 -2.449 1.00 0.00 O ATOM 666 CB TYR A 356 -1.148 -8.681 -2.095 1.00 0.00 C ATOM 667 CG TYR A 356 -2.251 -9.218 -1.222 1.00 0.00 C ATOM 668 CD1 TYR A 356 -2.101 -9.219 0.167 1.00 0.00 C ATOM 669 CD2 TYR A 356 -3.419 -9.723 -1.804 1.00 0.00 C ATOM 670 CE1 TYR A 356 -3.125 -9.722 0.981 1.00 0.00 C ATOM 671 CE2 TYR A 356 -4.442 -10.228 -0.992 1.00 0.00 C ATOM 672 CZ TYR A 356 -4.295 -10.227 0.401 1.00 0.00 C ATOM 673 OH TYR A 356 -5.303 -10.723 1.201 1.00 0.00 O ATOM 0 H TYR A 356 0.877 -8.289 -3.482 1.00 0.00 H new ATOM 0 HA TYR A 356 0.270 -10.113 -1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -0.699 -7.801 -1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -1.550 -8.367 -3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -1.197 -8.832 0.613 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -3.531 -9.723 -2.878 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -3.012 -9.720 2.055 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -5.344 -10.618 -1.440 1.00 0.00 H new ATOM 0 HH TYR A 356 -6.044 -11.032 0.639 1.00 0.00 H new ATOM 683 N CYS A 357 -0.784 -10.871 -4.347 1.00 0.00 N ATOM 684 CA CYS A 357 -1.395 -11.985 -5.131 1.00 0.00 C ATOM 685 C CYS A 357 -0.389 -13.128 -5.280 1.00 0.00 C ATOM 686 O CYS A 357 -0.655 -14.256 -4.917 1.00 0.00 O ATOM 687 CB CYS A 357 -1.796 -11.470 -6.518 1.00 0.00 C ATOM 688 SG CYS A 357 -1.782 -9.658 -6.516 1.00 0.00 S ATOM 0 H CYS A 357 -0.446 -10.085 -4.902 1.00 0.00 H new ATOM 0 HA CYS A 357 -2.278 -12.352 -4.608 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -1.106 -11.849 -7.272 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -2.788 -11.836 -6.781 1.00 0.00 H new ATOM 693 N LEU A 358 0.761 -12.841 -5.815 1.00 0.00 N ATOM 694 CA LEU A 358 1.791 -13.900 -5.998 1.00 0.00 C ATOM 695 C LEU A 358 2.319 -14.364 -4.637 1.00 0.00 C ATOM 696 O LEU A 358 2.578 -15.532 -4.424 1.00 0.00 O ATOM 697 CB LEU A 358 2.940 -13.323 -6.822 1.00 0.00 C ATOM 698 CG LEU A 358 2.460 -13.015 -8.242 1.00 0.00 C ATOM 699 CD1 LEU A 358 3.604 -12.390 -9.042 1.00 0.00 C ATOM 700 CD2 LEU A 358 2.015 -14.310 -8.926 1.00 0.00 C ATOM 0 H LEU A 358 1.035 -11.912 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 358 1.351 -14.755 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 358 3.316 -12.415 -6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 358 3.767 -14.032 -6.854 1.00 0.00 H new ATOM 0 HG LEU A 358 1.621 -12.320 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 358 3.263 -12.170 -10.054 1.00 0.00 H new ATOM 0 HD12 LEU A 358 3.924 -11.467 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 358 4.441 -13.087 -9.085 1.00 0.00 H new ATOM 0 HD21 LEU A 358 1.673 -14.089 -9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 358 2.854 -15.005 -8.970 1.00 0.00 H new ATOM 0 HD23 LEU A 358 1.201 -14.760 -8.358 1.00 0.00 H new ATOM 712 N ASP A 359 2.475 -13.456 -3.722 1.00 0.00 N ATOM 713 CA ASP A 359 2.985 -13.820 -2.367 1.00 0.00 C ATOM 714 C ASP A 359 4.450 -14.278 -2.442 1.00 0.00 C ATOM 715 O ASP A 359 4.790 -15.359 -2.004 1.00 0.00 O ATOM 716 CB ASP A 359 2.132 -14.955 -1.796 1.00 0.00 C ATOM 717 CG ASP A 359 2.190 -14.919 -0.268 1.00 0.00 C ATOM 718 OD1 ASP A 359 2.021 -13.845 0.287 1.00 0.00 O ATOM 719 OD2 ASP A 359 2.403 -15.966 0.323 1.00 0.00 O ATOM 0 H ASP A 359 2.270 -12.465 -3.851 1.00 0.00 H new ATOM 0 HA ASP A 359 2.925 -12.942 -1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 359 1.101 -14.854 -2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 359 2.495 -15.916 -2.162 1.00 0.00 H new ATOM 724 N PRO A 360 5.314 -13.452 -2.977 1.00 0.00 N ATOM 725 CA PRO A 360 6.770 -13.757 -3.092 1.00 0.00 C ATOM 726 C PRO A 360 7.523 -13.432 -1.799 1.00 0.00 C ATOM 727 O PRO A 360 7.032 -12.705 -0.958 1.00 0.00 O ATOM 728 CB PRO A 360 7.225 -12.825 -4.211 1.00 0.00 C ATOM 729 CG PRO A 360 6.341 -11.630 -4.092 1.00 0.00 C ATOM 730 CD PRO A 360 5.002 -12.130 -3.542 1.00 0.00 C ATOM 0 HA PRO A 360 6.961 -14.813 -3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 360 8.275 -12.554 -4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 360 7.121 -13.298 -5.187 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.781 -10.888 -3.426 1.00 0.00 H new ATOM 0 HG3 PRO A 360 6.207 -11.149 -5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 360 4.607 -11.456 -2.782 1.00 0.00 H new ATOM 0 HD3 PRO A 360 4.250 -12.200 -4.328 1.00 0.00 H new ATOM 738 N PRO A 361 8.714 -13.948 -1.646 1.00 0.00 N ATOM 739 CA PRO A 361 9.549 -13.686 -0.442 1.00 0.00 C ATOM 740 C PRO A 361 9.649 -12.185 -0.152 1.00 0.00 C ATOM 741 O PRO A 361 10.015 -11.770 0.929 1.00 0.00 O ATOM 742 CB PRO A 361 10.929 -14.262 -0.798 1.00 0.00 C ATOM 743 CG PRO A 361 10.868 -14.647 -2.244 1.00 0.00 C ATOM 744 CD PRO A 361 9.395 -14.835 -2.592 1.00 0.00 C ATOM 0 HA PRO A 361 9.125 -14.138 0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 361 11.713 -13.525 -0.625 1.00 0.00 H new ATOM 0 HB3 PRO A 361 11.161 -15.126 -0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 361 11.316 -13.874 -2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 361 11.427 -15.565 -2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 361 9.187 -14.558 -3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 361 9.081 -15.872 -2.470 1.00 0.00 H new ATOM 752 N LEU A 362 9.315 -11.372 -1.119 1.00 0.00 N ATOM 753 CA LEU A 362 9.373 -9.897 -0.919 1.00 0.00 C ATOM 754 C LEU A 362 8.053 -9.421 -0.307 1.00 0.00 C ATOM 755 O LEU A 362 7.669 -8.276 -0.447 1.00 0.00 O ATOM 756 CB LEU A 362 9.587 -9.203 -2.268 1.00 0.00 C ATOM 757 CG LEU A 362 10.844 -9.757 -2.941 1.00 0.00 C ATOM 758 CD1 LEU A 362 11.119 -8.978 -4.228 1.00 0.00 C ATOM 759 CD2 LEU A 362 12.038 -9.609 -1.994 1.00 0.00 C ATOM 0 H LEU A 362 9.003 -11.669 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 362 10.199 -9.652 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 362 8.720 -9.360 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 362 9.685 -8.127 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 362 10.694 -10.811 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 362 12.015 -9.373 -4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 362 10.270 -9.081 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 362 11.269 -7.925 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 362 12.934 -10.004 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 362 12.187 -8.555 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.844 -10.162 -1.075 1.00 0.00 H new ATOM 771 N SER A 363 7.351 -10.294 0.361 1.00 0.00 N ATOM 772 CA SER A 363 6.051 -9.899 0.971 1.00 0.00 C ATOM 773 C SER A 363 6.218 -8.581 1.726 1.00 0.00 C ATOM 774 O SER A 363 5.259 -7.891 2.013 1.00 0.00 O ATOM 775 CB SER A 363 5.592 -10.988 1.943 1.00 0.00 C ATOM 776 OG SER A 363 6.471 -11.020 3.060 1.00 0.00 O ATOM 0 H SER A 363 7.622 -11.266 0.511 1.00 0.00 H new ATOM 0 HA SER A 363 5.306 -9.774 0.185 1.00 0.00 H new ATOM 0 HB2 SER A 363 4.572 -10.791 2.273 1.00 0.00 H new ATOM 0 HB3 SER A 363 5.584 -11.957 1.444 1.00 0.00 H new ATOM 0 HG SER A 363 6.179 -11.715 3.686 1.00 0.00 H new ATOM 782 N SER A 364 7.428 -8.224 2.047 1.00 0.00 N ATOM 783 CA SER A 364 7.662 -6.950 2.780 1.00 0.00 C ATOM 784 C SER A 364 7.151 -5.772 1.947 1.00 0.00 C ATOM 785 O SER A 364 7.018 -5.861 0.743 1.00 0.00 O ATOM 786 CB SER A 364 9.159 -6.777 3.014 1.00 0.00 C ATOM 787 OG SER A 364 9.646 -7.875 3.775 1.00 0.00 O ATOM 0 H SER A 364 8.268 -8.761 1.833 1.00 0.00 H new ATOM 0 HA SER A 364 7.133 -6.979 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 364 9.684 -6.720 2.060 1.00 0.00 H new ATOM 0 HB3 SER A 364 9.351 -5.842 3.540 1.00 0.00 H new ATOM 0 HG SER A 364 10.608 -7.767 3.926 1.00 0.00 H new ATOM 793 N VAL A 365 6.872 -4.665 2.582 1.00 0.00 N ATOM 794 CA VAL A 365 6.379 -3.479 1.829 1.00 0.00 C ATOM 795 C VAL A 365 7.553 -2.506 1.603 1.00 0.00 C ATOM 796 O VAL A 365 8.069 -1.939 2.546 1.00 0.00 O ATOM 797 CB VAL A 365 5.287 -2.782 2.644 1.00 0.00 C ATOM 798 CG1 VAL A 365 5.729 -2.664 4.104 1.00 0.00 C ATOM 799 CG2 VAL A 365 5.039 -1.384 2.072 1.00 0.00 C ATOM 0 H VAL A 365 6.965 -4.532 3.589 1.00 0.00 H new ATOM 0 HA VAL A 365 5.970 -3.792 0.868 1.00 0.00 H new ATOM 0 HB VAL A 365 4.369 -3.367 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 365 4.949 -2.167 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 365 5.905 -3.659 4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 365 6.649 -2.081 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 365 4.261 -0.886 2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 365 5.959 -0.801 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 365 4.720 -1.467 1.033 1.00 0.00 H new ATOM 809 N PRO A 366 7.987 -2.314 0.375 1.00 0.00 N ATOM 810 CA PRO A 366 9.126 -1.400 0.071 1.00 0.00 C ATOM 811 C PRO A 366 8.738 0.081 0.154 1.00 0.00 C ATOM 812 O PRO A 366 9.532 0.955 -0.135 1.00 0.00 O ATOM 813 CB PRO A 366 9.530 -1.772 -1.355 1.00 0.00 C ATOM 814 CG PRO A 366 8.313 -2.365 -1.981 1.00 0.00 C ATOM 815 CD PRO A 366 7.452 -2.935 -0.850 1.00 0.00 C ATOM 0 HA PRO A 366 9.932 -1.518 0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 366 9.866 -0.895 -1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 366 10.356 -2.484 -1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 366 7.762 -1.609 -2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 366 8.587 -3.148 -2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 366 6.399 -2.690 -0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 366 7.523 -4.022 -0.807 1.00 0.00 H new ATOM 823 N SER A 367 7.527 0.372 0.546 1.00 0.00 N ATOM 824 CA SER A 367 7.102 1.797 0.646 1.00 0.00 C ATOM 825 C SER A 367 8.015 2.522 1.636 1.00 0.00 C ATOM 826 O SER A 367 7.934 3.722 1.809 1.00 0.00 O ATOM 827 CB SER A 367 5.658 1.865 1.142 1.00 0.00 C ATOM 828 OG SER A 367 5.650 1.844 2.564 1.00 0.00 O ATOM 0 H SER A 367 6.816 -0.313 0.801 1.00 0.00 H new ATOM 0 HA SER A 367 7.170 2.271 -0.333 1.00 0.00 H new ATOM 0 HB2 SER A 367 5.178 2.773 0.777 1.00 0.00 H new ATOM 0 HB3 SER A 367 5.087 1.023 0.751 1.00 0.00 H new ATOM 0 HG SER A 367 4.726 1.889 2.887 1.00 0.00 H new ATOM 834 N GLU A 368 8.879 1.799 2.293 1.00 0.00 N ATOM 835 CA GLU A 368 9.795 2.436 3.280 1.00 0.00 C ATOM 836 C GLU A 368 10.554 3.589 2.618 1.00 0.00 C ATOM 837 O GLU A 368 10.855 4.581 3.251 1.00 0.00 O ATOM 838 CB GLU A 368 10.794 1.395 3.790 1.00 0.00 C ATOM 839 CG GLU A 368 11.648 2.008 4.901 1.00 0.00 C ATOM 840 CD GLU A 368 12.715 1.003 5.339 1.00 0.00 C ATOM 841 OE1 GLU A 368 12.754 -0.076 4.770 1.00 0.00 O ATOM 842 OE2 GLU A 368 13.475 1.329 6.237 1.00 0.00 O ATOM 0 H GLU A 368 8.990 0.791 2.188 1.00 0.00 H new ATOM 0 HA GLU A 368 9.211 2.824 4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.264 0.520 4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 368 11.431 1.056 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 368 12.120 2.925 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 368 11.020 2.280 5.749 1.00 0.00 H new ATOM 849 N ASP A 369 10.870 3.468 1.355 1.00 0.00 N ATOM 850 CA ASP A 369 11.611 4.560 0.666 1.00 0.00 C ATOM 851 C ASP A 369 10.927 4.882 -0.662 1.00 0.00 C ATOM 852 O ASP A 369 10.031 4.187 -1.097 1.00 0.00 O ATOM 853 CB ASP A 369 13.049 4.114 0.399 1.00 0.00 C ATOM 854 CG ASP A 369 13.776 3.905 1.729 1.00 0.00 C ATOM 855 OD1 ASP A 369 13.258 4.346 2.740 1.00 0.00 O ATOM 856 OD2 ASP A 369 14.839 3.305 1.712 1.00 0.00 O ATOM 0 H ASP A 369 10.646 2.660 0.773 1.00 0.00 H new ATOM 0 HA ASP A 369 11.616 5.447 1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 369 13.053 3.189 -0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 369 13.569 4.864 -0.197 1.00 0.00 H new ATOM 861 N GLU A 370 11.346 5.933 -1.308 1.00 0.00 N ATOM 862 CA GLU A 370 10.727 6.305 -2.609 1.00 0.00 C ATOM 863 C GLU A 370 11.248 5.367 -3.700 1.00 0.00 C ATOM 864 O GLU A 370 11.598 5.792 -4.783 1.00 0.00 O ATOM 865 CB GLU A 370 11.095 7.749 -2.956 1.00 0.00 C ATOM 866 CG GLU A 370 10.530 8.690 -1.889 1.00 0.00 C ATOM 867 CD GLU A 370 10.832 10.139 -2.274 1.00 0.00 C ATOM 868 OE1 GLU A 370 11.584 10.337 -3.213 1.00 0.00 O ATOM 869 OE2 GLU A 370 10.305 11.026 -1.622 1.00 0.00 O ATOM 0 H GLU A 370 12.092 6.552 -0.990 1.00 0.00 H new ATOM 0 HA GLU A 370 9.643 6.217 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 370 12.178 7.856 -3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 370 10.696 8.012 -3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 370 9.454 8.545 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 370 10.969 8.462 -0.918 1.00 0.00 H new ATOM 876 N TRP A 371 11.308 4.094 -3.419 1.00 0.00 N ATOM 877 CA TRP A 371 11.815 3.133 -4.438 1.00 0.00 C ATOM 878 C TRP A 371 10.818 3.045 -5.598 1.00 0.00 C ATOM 879 O TRP A 371 9.621 3.006 -5.397 1.00 0.00 O ATOM 880 CB TRP A 371 11.973 1.752 -3.803 1.00 0.00 C ATOM 881 CG TRP A 371 10.762 0.941 -4.105 1.00 0.00 C ATOM 882 CD1 TRP A 371 9.530 1.180 -3.608 1.00 0.00 C ATOM 883 CD2 TRP A 371 10.637 -0.229 -4.965 1.00 0.00 C ATOM 884 NE1 TRP A 371 8.657 0.236 -4.107 1.00 0.00 N ATOM 885 CE2 TRP A 371 9.291 -0.656 -4.947 1.00 0.00 C ATOM 886 CE3 TRP A 371 11.552 -0.953 -5.750 1.00 0.00 C ATOM 887 CZ2 TRP A 371 8.866 -1.763 -5.681 1.00 0.00 C ATOM 888 CZ3 TRP A 371 11.127 -2.068 -6.491 1.00 0.00 C ATOM 889 CH2 TRP A 371 9.785 -2.470 -6.455 1.00 0.00 C ATOM 0 H TRP A 371 11.029 3.679 -2.530 1.00 0.00 H new ATOM 0 HA TRP A 371 12.780 3.477 -4.810 1.00 0.00 H new ATOM 0 HB2 TRP A 371 12.864 1.258 -4.191 1.00 0.00 H new ATOM 0 HB3 TRP A 371 12.105 1.846 -2.725 1.00 0.00 H new ATOM 0 HD1 TRP A 371 9.270 1.980 -2.930 1.00 0.00 H new ATOM 0 HE1 TRP A 371 7.663 0.202 -3.882 1.00 0.00 H new ATOM 0 HE3 TRP A 371 12.588 -0.650 -5.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 7.831 -2.071 -5.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 11.837 -2.618 -7.091 1.00 0.00 H new ATOM 0 HH2 TRP A 371 9.463 -3.328 -7.027 1.00 0.00 H new ATOM 900 N TYR A 372 11.306 3.020 -6.810 1.00 0.00 N ATOM 901 CA TYR A 372 10.396 2.941 -7.991 1.00 0.00 C ATOM 902 C TYR A 372 10.748 1.710 -8.831 1.00 0.00 C ATOM 903 O TYR A 372 11.886 1.287 -8.879 1.00 0.00 O ATOM 904 CB TYR A 372 10.555 4.200 -8.845 1.00 0.00 C ATOM 905 CG TYR A 372 10.261 5.420 -8.006 1.00 0.00 C ATOM 906 CD1 TYR A 372 8.936 5.762 -7.710 1.00 0.00 C ATOM 907 CD2 TYR A 372 11.312 6.209 -7.525 1.00 0.00 C ATOM 908 CE1 TYR A 372 8.663 6.894 -6.933 1.00 0.00 C ATOM 909 CE2 TYR A 372 11.038 7.341 -6.749 1.00 0.00 C ATOM 910 CZ TYR A 372 9.714 7.684 -6.452 1.00 0.00 C ATOM 911 OH TYR A 372 9.444 8.800 -5.687 1.00 0.00 O ATOM 0 H TYR A 372 12.301 3.051 -7.034 1.00 0.00 H new ATOM 0 HA TYR A 372 9.365 2.862 -7.646 1.00 0.00 H new ATOM 0 HB2 TYR A 372 11.568 4.256 -9.244 1.00 0.00 H new ATOM 0 HB3 TYR A 372 9.878 4.161 -9.698 1.00 0.00 H new ATOM 0 HD1 TYR A 372 8.125 5.153 -8.081 1.00 0.00 H new ATOM 0 HD2 TYR A 372 12.334 5.944 -7.753 1.00 0.00 H new ATOM 0 HE1 TYR A 372 7.641 7.158 -6.704 1.00 0.00 H new ATOM 0 HE2 TYR A 372 11.849 7.951 -6.379 1.00 0.00 H new ATOM 0 HH TYR A 372 8.614 8.659 -5.185 1.00 0.00 H new ATOM 921 N CYS A 373 9.779 1.130 -9.491 1.00 0.00 N ATOM 922 CA CYS A 373 10.056 -0.072 -10.329 1.00 0.00 C ATOM 923 C CYS A 373 11.374 0.132 -11.083 1.00 0.00 C ATOM 924 O CYS A 373 11.738 1.246 -11.401 1.00 0.00 O ATOM 925 CB CYS A 373 8.922 -0.249 -11.343 1.00 0.00 C ATOM 926 SG CYS A 373 7.363 0.292 -10.608 1.00 0.00 S ATOM 0 H CYS A 373 8.807 1.438 -9.485 1.00 0.00 H new ATOM 0 HA CYS A 373 10.127 -0.955 -9.694 1.00 0.00 H new ATOM 0 HB2 CYS A 373 9.132 0.329 -12.243 1.00 0.00 H new ATOM 0 HB3 CYS A 373 8.850 -1.294 -11.645 1.00 0.00 H new ATOM 931 N PRO A 374 12.088 -0.927 -11.371 1.00 0.00 N ATOM 932 CA PRO A 374 13.383 -0.832 -12.100 1.00 0.00 C ATOM 933 C PRO A 374 13.227 -0.085 -13.426 1.00 0.00 C ATOM 934 O PRO A 374 14.106 0.640 -13.850 1.00 0.00 O ATOM 935 CB PRO A 374 13.802 -2.288 -12.345 1.00 0.00 C ATOM 936 CG PRO A 374 12.623 -3.136 -11.986 1.00 0.00 C ATOM 937 CD PRO A 374 11.747 -2.317 -11.042 1.00 0.00 C ATOM 0 HA PRO A 374 14.126 -0.275 -11.529 1.00 0.00 H new ATOM 0 HB2 PRO A 374 14.086 -2.440 -13.386 1.00 0.00 H new ATOM 0 HB3 PRO A 374 14.668 -2.550 -11.737 1.00 0.00 H new ATOM 0 HG2 PRO A 374 12.066 -3.418 -12.879 1.00 0.00 H new ATOM 0 HG3 PRO A 374 12.946 -4.060 -11.506 1.00 0.00 H new ATOM 0 HD2 PRO A 374 10.688 -2.518 -11.202 1.00 0.00 H new ATOM 0 HD3 PRO A 374 11.960 -2.546 -9.998 1.00 0.00 H new ATOM 945 N GLU A 375 12.107 -0.244 -14.078 1.00 0.00 N ATOM 946 CA GLU A 375 11.889 0.471 -15.365 1.00 0.00 C ATOM 947 C GLU A 375 11.610 1.949 -15.084 1.00 0.00 C ATOM 948 O GLU A 375 12.012 2.820 -15.829 1.00 0.00 O ATOM 949 CB GLU A 375 10.702 -0.150 -16.097 1.00 0.00 C ATOM 950 CG GLU A 375 9.466 -0.021 -15.221 1.00 0.00 C ATOM 951 CD GLU A 375 8.275 -0.700 -15.901 1.00 0.00 C ATOM 952 OE1 GLU A 375 8.433 -1.134 -17.030 1.00 0.00 O ATOM 953 OE2 GLU A 375 7.228 -0.775 -15.280 1.00 0.00 O ATOM 0 H GLU A 375 11.335 -0.838 -13.774 1.00 0.00 H new ATOM 0 HA GLU A 375 12.779 0.385 -15.988 1.00 0.00 H new ATOM 0 HB2 GLU A 375 10.542 0.352 -17.051 1.00 0.00 H new ATOM 0 HB3 GLU A 375 10.901 -1.199 -16.317 1.00 0.00 H new ATOM 0 HG2 GLU A 375 9.649 -0.477 -14.248 1.00 0.00 H new ATOM 0 HG3 GLU A 375 9.243 1.031 -15.043 1.00 0.00 H new ATOM 960 N CYS A 376 10.928 2.236 -14.008 1.00 0.00 N ATOM 961 CA CYS A 376 10.625 3.653 -13.671 1.00 0.00 C ATOM 962 C CYS A 376 11.924 4.369 -13.302 1.00 0.00 C ATOM 963 O CYS A 376 12.148 5.507 -13.667 1.00 0.00 O ATOM 964 CB CYS A 376 9.656 3.691 -12.484 1.00 0.00 C ATOM 965 SG CYS A 376 7.997 3.235 -13.049 1.00 0.00 S ATOM 0 H CYS A 376 10.568 1.547 -13.348 1.00 0.00 H new ATOM 0 HA CYS A 376 10.168 4.151 -14.526 1.00 0.00 H new ATOM 0 HB2 CYS A 376 9.989 3.004 -11.706 1.00 0.00 H new ATOM 0 HB3 CYS A 376 9.641 4.688 -12.044 1.00 0.00 H new ATOM 970 N ARG A 377 12.780 3.703 -12.583 1.00 0.00 N ATOM 971 CA ARG A 377 14.073 4.323 -12.181 1.00 0.00 C ATOM 972 C ARG A 377 14.922 4.596 -13.425 1.00 0.00 C ATOM 973 O ARG A 377 15.787 5.448 -13.420 1.00 0.00 O ATOM 974 CB ARG A 377 14.810 3.364 -11.246 1.00 0.00 C ATOM 975 CG ARG A 377 13.979 3.174 -9.977 1.00 0.00 C ATOM 976 CD ARG A 377 14.711 2.243 -9.009 1.00 0.00 C ATOM 977 NE ARG A 377 14.933 0.922 -9.664 1.00 0.00 N ATOM 978 CZ ARG A 377 14.871 -0.183 -8.964 1.00 0.00 C ATOM 979 NH1 ARG A 377 14.639 -0.144 -7.679 1.00 0.00 N ATOM 980 NH2 ARG A 377 15.048 -1.334 -9.556 1.00 0.00 N ATOM 0 H ARG A 377 12.639 2.748 -12.253 1.00 0.00 H new ATOM 0 HA ARG A 377 13.889 5.267 -11.667 1.00 0.00 H new ATOM 0 HB2 ARG A 377 14.970 2.405 -11.739 1.00 0.00 H new ATOM 0 HB3 ARG A 377 15.794 3.762 -10.997 1.00 0.00 H new ATOM 0 HG2 ARG A 377 13.799 4.138 -9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 377 13.004 2.757 -10.229 1.00 0.00 H new ATOM 0 HD2 ARG A 377 15.665 2.681 -8.717 1.00 0.00 H new ATOM 0 HD3 ARG A 377 14.127 2.116 -8.098 1.00 0.00 H new ATOM 0 HE ARG A 377 15.134 0.879 -10.663 1.00 0.00 H new ATOM 0 HH11 ARG A 377 14.504 0.753 -7.212 1.00 0.00 H new ATOM 0 HH12 ARG A 377 14.593 -1.010 -7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 377 15.233 -1.369 -10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 377 15.001 -2.198 -9.016 1.00 0.00 H new ATOM 994 N ASN A 378 14.683 3.873 -14.486 1.00 0.00 N ATOM 995 CA ASN A 378 15.474 4.083 -15.734 1.00 0.00 C ATOM 996 C ASN A 378 16.962 3.908 -15.428 1.00 0.00 C ATOM 997 O ASN A 378 17.792 4.685 -15.860 1.00 0.00 O ATOM 998 CB ASN A 378 15.223 5.492 -16.280 1.00 0.00 C ATOM 999 CG ASN A 378 13.740 5.651 -16.621 1.00 0.00 C ATOM 1000 OD1 ASN A 378 13.029 4.676 -16.759 1.00 0.00 O ATOM 1001 ND2 ASN A 378 13.242 6.848 -16.767 1.00 0.00 N ATOM 0 H ASN A 378 13.972 3.144 -14.543 1.00 0.00 H new ATOM 0 HA ASN A 378 15.167 3.352 -16.482 1.00 0.00 H new ATOM 0 HB2 ASN A 378 15.519 6.237 -15.542 1.00 0.00 H new ATOM 0 HB3 ASN A 378 15.832 5.663 -17.168 1.00 0.00 H new ATOM 0 HD21 ASN A 378 12.255 6.965 -16.997 1.00 0.00 H new ATOM 0 HD22 ASN A 378 13.839 7.667 -16.651 1.00 0.00 H new ATOM 1008 N ASP A 379 17.309 2.892 -14.685 1.00 0.00 N ATOM 1009 CA ASP A 379 18.744 2.664 -14.352 1.00 0.00 C ATOM 1010 C ASP A 379 18.931 1.226 -13.869 1.00 0.00 C ATOM 1011 O ASP A 379 18.480 0.326 -14.558 1.00 0.00 O ATOM 1012 CB ASP A 379 19.171 3.633 -13.248 1.00 0.00 C ATOM 1013 CG ASP A 379 20.671 3.482 -12.989 1.00 0.00 C ATOM 1014 OD1 ASP A 379 21.308 2.748 -13.725 1.00 0.00 O ATOM 1015 OD2 ASP A 379 21.157 4.105 -12.058 1.00 0.00 O ATOM 1016 OXT ASP A 379 19.524 1.047 -12.817 1.00 0.00 O ATOM 0 H ASP A 379 16.660 2.209 -14.294 1.00 0.00 H new ATOM 0 HA ASP A 379 19.355 2.832 -15.239 1.00 0.00 H new ATOM 0 HB2 ASP A 379 18.943 4.658 -13.541 1.00 0.00 H new ATOM 0 HB3 ASP A 379 18.611 3.430 -12.335 1.00 0.00 H new TER 1021 ASP A 379 ATOM 1022 N ALA B 383 6.246 2.042 -2.693 1.00 0.00 N ATOM 1023 CA ALA B 383 6.592 3.456 -3.002 1.00 0.00 C ATOM 1024 C ALA B 383 5.363 4.344 -2.799 1.00 0.00 C ATOM 1025 O ALA B 383 5.374 5.256 -1.997 1.00 0.00 O ATOM 1026 CB ALA B 383 7.053 3.559 -4.455 1.00 0.00 C ATOM 0 HA ALA B 383 7.391 3.785 -2.337 1.00 0.00 H new ATOM 0 HB1 ALA B 383 7.307 4.594 -4.684 1.00 0.00 H new ATOM 0 HB2 ALA B 383 7.930 2.929 -4.604 1.00 0.00 H new ATOM 0 HB3 ALA B 383 6.252 3.228 -5.115 1.00 0.00 H new ATOM 1034 N ARG B 384 4.308 4.090 -3.528 1.00 0.00 N ATOM 1035 CA ARG B 384 3.079 4.924 -3.387 1.00 0.00 C ATOM 1036 C ARG B 384 1.864 4.028 -3.124 1.00 0.00 C ATOM 1037 O ARG B 384 1.823 2.887 -3.531 1.00 0.00 O ATOM 1038 CB ARG B 384 2.850 5.720 -4.675 1.00 0.00 C ATOM 1039 CG ARG B 384 1.684 6.687 -4.455 1.00 0.00 C ATOM 1040 CD ARG B 384 1.439 7.505 -5.724 1.00 0.00 C ATOM 1041 NE ARG B 384 0.882 6.621 -6.788 1.00 0.00 N ATOM 1042 CZ ARG B 384 0.460 7.137 -7.911 1.00 0.00 C ATOM 1043 NH1 ARG B 384 0.544 8.424 -8.109 1.00 0.00 N ATOM 1044 NH2 ARG B 384 -0.037 6.363 -8.838 1.00 0.00 N ATOM 0 H ARG B 384 4.245 3.340 -4.216 1.00 0.00 H new ATOM 0 HA ARG B 384 3.209 5.609 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG B 384 3.751 6.270 -4.944 1.00 0.00 H new ATOM 0 HB3 ARG B 384 2.630 5.045 -5.502 1.00 0.00 H new ATOM 0 HG2 ARG B 384 0.784 6.131 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG B 384 1.904 7.352 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG B 384 0.747 8.321 -5.515 1.00 0.00 H new ATOM 0 HD3 ARG B 384 2.371 7.957 -6.063 1.00 0.00 H new ATOM 0 HE ARG B 384 0.831 5.613 -6.639 1.00 0.00 H new ATOM 0 HH11 ARG B 384 0.939 9.026 -7.387 1.00 0.00 H new ATOM 0 HH12 ARG B 384 0.215 8.828 -8.986 1.00 0.00 H new ATOM 0 HH21 ARG B 384 -0.095 5.356 -8.685 1.00 0.00 H new ATOM 0 HH22 ARG B 384 -0.367 6.765 -9.715 1.00 0.00 H new ATOM 1058 N THR B 385 0.870 4.539 -2.446 1.00 0.00 N ATOM 1059 CA THR B 385 -0.346 3.720 -2.164 1.00 0.00 C ATOM 1060 C THR B 385 -1.584 4.458 -2.681 1.00 0.00 C ATOM 1061 O THR B 385 -1.579 5.663 -2.832 1.00 0.00 O ATOM 1062 CB THR B 385 -0.474 3.491 -0.656 1.00 0.00 C ATOM 1063 OG1 THR B 385 -0.566 4.745 0.004 1.00 0.00 O ATOM 1064 CG2 THR B 385 0.751 2.728 -0.150 1.00 0.00 C ATOM 0 H THR B 385 0.848 5.489 -2.075 1.00 0.00 H new ATOM 0 HA THR B 385 -0.261 2.756 -2.666 1.00 0.00 H new ATOM 0 HB THR B 385 -1.371 2.907 -0.449 1.00 0.00 H new ATOM 0 HG1 THR B 385 -0.153 4.679 0.890 1.00 0.00 H new ATOM 0 HG21 THR B 385 0.660 2.565 0.924 1.00 0.00 H new ATOM 0 HG22 THR B 385 0.816 1.766 -0.659 1.00 0.00 H new ATOM 0 HG23 THR B 385 1.651 3.308 -0.354 1.00 0.00 H new ATOM 1072 N LYS B 386 -2.642 3.740 -2.956 1.00 0.00 N ATOM 1073 CA LYS B 386 -3.882 4.394 -3.468 1.00 0.00 C ATOM 1074 C LYS B 386 -5.075 4.009 -2.589 1.00 0.00 C ATOM 1075 O LYS B 386 -5.938 4.818 -2.312 1.00 0.00 O ATOM 1076 CB LYS B 386 -4.142 3.933 -4.904 1.00 0.00 C ATOM 1077 CG LYS B 386 -4.324 5.150 -5.815 1.00 0.00 C ATOM 1078 CD LYS B 386 -5.620 5.887 -5.450 1.00 0.00 C ATOM 1079 CE LYS B 386 -6.805 5.294 -6.224 1.00 0.00 C ATOM 1080 NZ LYS B 386 -7.154 3.961 -5.658 1.00 0.00 N ATOM 0 H LYS B 386 -2.700 2.727 -2.848 1.00 0.00 H new ATOM 0 HA LYS B 386 -3.753 5.476 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -3.309 3.325 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -5.032 3.305 -4.938 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -3.472 5.822 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -4.357 4.833 -6.857 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -5.801 5.809 -4.378 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -5.521 6.948 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -7.664 5.963 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -6.551 5.197 -7.280 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -8.172 3.786 -5.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -6.613 3.222 -6.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -6.921 3.943 -4.644 1.00 0.00 H new ATOM 1094 N GLN B 387 -5.134 2.782 -2.150 1.00 0.00 N ATOM 1095 CA GLN B 387 -6.276 2.355 -1.292 1.00 0.00 C ATOM 1096 C GLN B 387 -6.413 3.335 -0.127 1.00 0.00 C ATOM 1097 O GLN B 387 -7.435 3.400 0.528 1.00 0.00 O ATOM 1098 CB GLN B 387 -6.024 0.946 -0.751 1.00 0.00 C ATOM 1099 CG GLN B 387 -5.819 -0.023 -1.918 1.00 0.00 C ATOM 1100 CD GLN B 387 -7.046 0.006 -2.831 1.00 0.00 C ATOM 1101 OE1 GLN B 387 -8.165 -0.088 -2.367 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -6.882 0.136 -4.119 1.00 0.00 N ATOM 0 H GLN B 387 -4.443 2.058 -2.347 1.00 0.00 H new ATOM 0 HA GLN B 387 -7.193 2.348 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -5.146 0.945 -0.106 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -6.868 0.623 -0.141 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -4.928 0.254 -2.481 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -5.657 -1.033 -1.541 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -5.942 0.215 -4.508 1.00 0.00 H new ATOM 0 HE22 GLN B 387 -7.693 0.159 -4.737 1.00 0.00 H new ATOM 1111 N THR B 388 -5.390 4.100 0.135 1.00 0.00 N ATOM 1112 CA THR B 388 -5.459 5.078 1.255 1.00 0.00 C ATOM 1113 C THR B 388 -6.596 6.066 0.985 1.00 0.00 C ATOM 1114 O THR B 388 -7.102 6.151 -0.115 1.00 0.00 O ATOM 1115 CB THR B 388 -4.133 5.839 1.349 1.00 0.00 C ATOM 1116 OG1 THR B 388 -4.031 6.743 0.256 1.00 0.00 O ATOM 1117 CG2 THR B 388 -2.965 4.849 1.303 1.00 0.00 C ATOM 0 H THR B 388 -4.509 4.090 -0.379 1.00 0.00 H new ATOM 0 HA THR B 388 -5.642 4.553 2.193 1.00 0.00 H new ATOM 0 HB THR B 388 -4.099 6.393 2.287 1.00 0.00 H new ATOM 0 HG1 THR B 388 -3.184 7.233 0.314 1.00 0.00 H new ATOM 0 HG21 THR B 388 -2.023 5.394 1.370 1.00 0.00 H new ATOM 0 HG22 THR B 388 -3.043 4.155 2.140 1.00 0.00 H new ATOM 0 HG23 THR B 388 -2.996 4.293 0.366 1.00 0.00 H new ATOM 1125 N ALA B 389 -7.009 6.798 1.990 1.00 0.00 N ATOM 1126 CA ALA B 389 -8.125 7.776 1.815 1.00 0.00 C ATOM 1127 C ALA B 389 -9.461 7.051 1.995 1.00 0.00 C ATOM 1128 O ALA B 389 -9.524 6.008 2.617 1.00 0.00 O ATOM 1129 CB ALA B 389 -8.064 8.411 0.421 1.00 0.00 C ATOM 0 H ALA B 389 -6.617 6.759 2.931 1.00 0.00 H new ATOM 0 HA ALA B 389 -8.030 8.565 2.561 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -8.883 9.121 0.308 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -7.114 8.931 0.299 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -8.152 7.633 -0.337 1.00 0.00 H new ATOM 1135 N ARG B 390 -10.526 7.592 1.463 1.00 0.00 N ATOM 1136 CA ARG B 390 -11.855 6.926 1.616 1.00 0.00 C ATOM 1137 C ARG B 390 -12.346 6.418 0.259 1.00 0.00 C ATOM 1138 O ARG B 390 -12.794 7.179 -0.575 1.00 0.00 O ATOM 1139 CB ARG B 390 -12.864 7.933 2.172 1.00 0.00 C ATOM 1140 CG ARG B 390 -12.443 8.356 3.580 1.00 0.00 C ATOM 1141 CD ARG B 390 -13.511 9.277 4.176 1.00 0.00 C ATOM 1142 NE ARG B 390 -13.007 9.862 5.450 1.00 0.00 N ATOM 1143 CZ ARG B 390 -13.766 10.668 6.143 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -14.965 10.958 5.720 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -13.323 11.183 7.257 1.00 0.00 N ATOM 0 H ARG B 390 -10.534 8.462 0.931 1.00 0.00 H new ATOM 0 HA ARG B 390 -11.756 6.083 2.300 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -12.919 8.805 1.521 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -13.860 7.490 2.197 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -12.312 7.477 4.211 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -11.482 8.870 3.545 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -13.756 10.071 3.471 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -14.429 8.718 4.358 1.00 0.00 H new ATOM 0 HE ARG B 390 -12.070 9.633 5.781 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -15.310 10.555 4.848 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -15.558 11.587 6.261 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -12.385 10.956 7.586 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -13.915 11.813 7.799 1.00 0.00 H new ATOM 1159 N LYS B 391 -12.281 5.131 0.041 1.00 0.00 N ATOM 1160 CA LYS B 391 -12.757 4.552 -1.249 1.00 0.00 C ATOM 1161 C LYS B 391 -13.503 3.249 -0.958 1.00 0.00 C ATOM 1162 O LYS B 391 -14.103 3.088 0.086 1.00 0.00 O ATOM 1163 CB LYS B 391 -11.565 4.253 -2.169 1.00 0.00 C ATOM 1164 CG LYS B 391 -10.745 5.525 -2.422 1.00 0.00 C ATOM 1165 CD LYS B 391 -11.523 6.479 -3.333 1.00 0.00 C ATOM 1166 CE LYS B 391 -10.592 7.594 -3.812 1.00 0.00 C ATOM 1167 NZ LYS B 391 -10.311 8.525 -2.682 1.00 0.00 N ATOM 0 H LYS B 391 -11.915 4.451 0.707 1.00 0.00 H new ATOM 0 HA LYS B 391 -13.416 5.266 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -10.932 3.490 -1.716 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -11.922 3.850 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -10.520 6.016 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -9.791 5.267 -2.882 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -11.927 5.936 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -12.371 6.904 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -9.661 7.169 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -11.051 8.136 -4.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -9.720 9.311 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -11.207 8.900 -2.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -9.810 8.014 -1.927 1.00 0.00 H new ATOM 1181 N SER B 392 -13.465 2.312 -1.866 1.00 0.00 N ATOM 1182 CA SER B 392 -14.166 1.020 -1.628 1.00 0.00 C ATOM 1183 C SER B 392 -13.616 0.390 -0.350 1.00 0.00 C ATOM 1184 O SER B 392 -14.349 -0.138 0.462 1.00 0.00 O ATOM 1185 CB SER B 392 -13.923 0.081 -2.810 1.00 0.00 C ATOM 1186 OG SER B 392 -14.311 0.731 -4.013 1.00 0.00 O ATOM 0 H SER B 392 -12.980 2.386 -2.760 1.00 0.00 H new ATOM 0 HA SER B 392 -15.237 1.192 -1.524 1.00 0.00 H new ATOM 0 HB2 SER B 392 -12.870 -0.198 -2.857 1.00 0.00 H new ATOM 0 HB3 SER B 392 -14.492 -0.840 -2.681 1.00 0.00 H new ATOM 0 HG SER B 392 -15.248 1.009 -3.947 1.00 0.00 H new ATOM 1192 N THR B 393 -12.328 0.462 -0.156 1.00 0.00 N ATOM 1193 CA THR B 393 -11.731 -0.109 1.081 1.00 0.00 C ATOM 1194 C THR B 393 -12.029 0.842 2.238 1.00 0.00 C ATOM 1195 O THR B 393 -11.921 0.490 3.395 1.00 0.00 O ATOM 1196 CB THR B 393 -10.217 -0.248 0.905 1.00 0.00 C ATOM 1197 OG1 THR B 393 -9.638 1.042 0.769 1.00 0.00 O ATOM 1198 CG2 THR B 393 -9.920 -1.078 -0.344 1.00 0.00 C ATOM 0 H THR B 393 -11.665 0.891 -0.801 1.00 0.00 H new ATOM 0 HA THR B 393 -12.153 -1.093 1.284 1.00 0.00 H new ATOM 0 HB THR B 393 -9.794 -0.746 1.777 1.00 0.00 H new ATOM 0 HG1 THR B 393 -8.726 1.030 1.127 1.00 0.00 H new ATOM 0 HG21 THR B 393 -8.841 -1.176 -0.468 1.00 0.00 H new ATOM 0 HG22 THR B 393 -10.364 -2.068 -0.237 1.00 0.00 H new ATOM 0 HG23 THR B 393 -10.342 -0.583 -1.219 1.00 0.00 H new ATOM 1206 N GLY B 394 -12.406 2.050 1.921 1.00 0.00 N ATOM 1207 CA GLY B 394 -12.718 3.044 2.983 1.00 0.00 C ATOM 1208 C GLY B 394 -11.576 3.085 3.999 1.00 0.00 C ATOM 1209 O GLY B 394 -10.462 3.378 3.597 1.00 0.00 O ATOM 1210 OXT GLY B 394 -11.835 2.825 5.162 1.00 0.00 O ATOM 0 H GLY B 394 -12.512 2.392 0.966 1.00 0.00 H new ATOM 0 HA2 GLY B 394 -12.861 4.030 2.541 1.00 0.00 H new ATOM 0 HA3 GLY B 394 -13.651 2.779 3.480 1.00 0.00 H new TER 1214 GLY B 394 HETATM 1215 ZN ZN A 380 -9.055 3.711 -11.848 1.00 0.00 ZN HETATM 1216 ZN ZN A 381 -3.257 -8.678 -8.002 1.00 0.00 ZN HETATM 1217 ZN ZN A 382 6.637 2.312 -11.431 1.00 0.00 ZN