USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=15 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 343 GLN : amide:sc= -5.87! C(o=-6.2!,f=-7.6!) USER MOD Set 1.2: A 356 TYR OH : rot -48:sc= -0.299! USER MOD Single : A 311 SER OG : rot 4:sc= 0.917 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= 0 X(o=0,f=0) USER MOD Single : A 319 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 323 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 332 HIS : no HD1:sc= -0.0373 K(o=-0.037,f=-1.5!) USER MOD Single : A 338 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.57) USER MOD Single : A 342 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 MET CE :methyl -164:sc= -0.309 (180deg=-1.5) USER MOD Single : A 351 MET CE :methyl -153:sc= -0.228 (180deg=-1.31) USER MOD Single : A 354 HIS : no HD1:sc= -6.12 K(o=-6.1,f=-7.5!) USER MOD Single : A 363 SER OG : rot 70:sc= 0.439 USER MOD Single : A 364 SER OG : rot 81:sc= 0.969 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 372 TYR OH : rot 30:sc= 0.0874 USER MOD Single : A 378 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.3!) USER MOD Single : B 385 THR OG1 : rot 81:sc= -2.63! USER MOD Single : B 386 LYS NZ :NH3+ -174:sc= -2.17 (180deg=-2.24) USER MOD Single : B 387 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 388 THR OG1 : rot -25:sc= 0.723 USER MOD Single : B 391 LYS NZ :NH3+ 174:sc= -4.72! (180deg=-4.91!) USER MOD Single : B 392 SER OG : rot 180:sc= 0.0278 USER MOD Single : B 393 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 311 1.387 15.223 -13.499 1.00 0.00 N ATOM 2 CA SER A 311 0.251 14.264 -13.390 1.00 0.00 C ATOM 3 C SER A 311 -0.103 14.059 -11.916 1.00 0.00 C ATOM 4 O SER A 311 0.532 13.295 -11.214 1.00 0.00 O ATOM 5 CB SER A 311 0.654 12.926 -14.011 1.00 0.00 C ATOM 6 OG SER A 311 2.002 13.000 -14.454 1.00 0.00 O ATOM 0 HA SER A 311 -0.615 14.663 -13.918 1.00 0.00 H new ATOM 0 HB2 SER A 311 0.543 12.125 -13.280 1.00 0.00 H new ATOM 0 HB3 SER A 311 -0.003 12.688 -14.847 1.00 0.00 H new ATOM 0 HG SER A 311 2.380 13.870 -14.207 1.00 0.00 H new ATOM 14 N GLY A 312 -1.112 14.735 -11.439 1.00 0.00 N ATOM 15 CA GLY A 312 -1.508 14.583 -10.010 1.00 0.00 C ATOM 16 C GLY A 312 -2.063 13.176 -9.777 1.00 0.00 C ATOM 17 O GLY A 312 -2.475 12.500 -10.698 1.00 0.00 O ATOM 0 H GLY A 312 -1.681 15.388 -11.979 1.00 0.00 H new ATOM 0 HA2 GLY A 312 -0.648 14.757 -9.363 1.00 0.00 H new ATOM 0 HA3 GLY A 312 -2.259 15.329 -9.749 1.00 0.00 H new ATOM 21 N PRO A 313 -2.067 12.741 -8.545 1.00 0.00 N ATOM 22 CA PRO A 313 -2.576 11.391 -8.161 1.00 0.00 C ATOM 23 C PRO A 313 -4.087 11.277 -8.355 1.00 0.00 C ATOM 24 O PRO A 313 -4.627 10.198 -8.507 1.00 0.00 O ATOM 25 CB PRO A 313 -2.227 11.281 -6.675 1.00 0.00 C ATOM 26 CG PRO A 313 -2.147 12.691 -6.200 1.00 0.00 C ATOM 27 CD PRO A 313 -1.597 13.496 -7.374 1.00 0.00 C ATOM 0 HA PRO A 313 -2.138 10.602 -8.772 1.00 0.00 H new ATOM 0 HB2 PRO A 313 -2.988 10.722 -6.130 1.00 0.00 H new ATOM 0 HB3 PRO A 313 -1.281 10.759 -6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 313 -3.128 13.058 -5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 313 -1.496 12.774 -5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 313 -1.976 14.518 -7.375 1.00 0.00 H new ATOM 0 HD3 PRO A 313 -0.509 13.559 -7.345 1.00 0.00 H new ATOM 35 N SER A 314 -4.774 12.386 -8.344 1.00 0.00 N ATOM 36 CA SER A 314 -6.250 12.346 -8.519 1.00 0.00 C ATOM 37 C SER A 314 -6.582 11.730 -9.877 1.00 0.00 C ATOM 38 O SER A 314 -5.889 11.939 -10.853 1.00 0.00 O ATOM 39 CB SER A 314 -6.808 13.767 -8.453 1.00 0.00 C ATOM 40 OG SER A 314 -6.450 14.353 -7.208 1.00 0.00 O ATOM 0 H SER A 314 -4.376 13.317 -8.221 1.00 0.00 H new ATOM 0 HA SER A 314 -6.696 11.744 -7.727 1.00 0.00 H new ATOM 0 HB2 SER A 314 -6.414 14.364 -9.276 1.00 0.00 H new ATOM 0 HB3 SER A 314 -7.892 13.750 -8.562 1.00 0.00 H new ATOM 0 HG SER A 314 -6.804 15.265 -7.162 1.00 0.00 H new ATOM 46 N CYS A 315 -7.636 10.970 -9.944 1.00 0.00 N ATOM 47 CA CYS A 315 -8.013 10.336 -11.238 1.00 0.00 C ATOM 48 C CYS A 315 -8.989 11.236 -11.989 1.00 0.00 C ATOM 49 O CYS A 315 -10.131 11.386 -11.604 1.00 0.00 O ATOM 50 CB CYS A 315 -8.699 8.997 -10.978 1.00 0.00 C ATOM 51 SG CYS A 315 -7.594 7.632 -11.430 1.00 0.00 S ATOM 0 H CYS A 315 -8.254 10.759 -9.160 1.00 0.00 H new ATOM 0 HA CYS A 315 -7.109 10.186 -11.829 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -8.975 8.919 -9.926 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -9.622 8.934 -11.555 1.00 0.00 H new ATOM 56 N LYS A 316 -8.564 11.814 -13.074 1.00 0.00 N ATOM 57 CA LYS A 316 -9.488 12.673 -13.857 1.00 0.00 C ATOM 58 C LYS A 316 -10.401 11.757 -14.665 1.00 0.00 C ATOM 59 O LYS A 316 -11.255 12.200 -15.406 1.00 0.00 O ATOM 60 CB LYS A 316 -8.683 13.564 -14.801 1.00 0.00 C ATOM 61 CG LYS A 316 -8.065 12.697 -15.890 1.00 0.00 C ATOM 62 CD LYS A 316 -7.103 13.538 -16.732 1.00 0.00 C ATOM 63 CE LYS A 316 -6.707 12.759 -17.987 1.00 0.00 C ATOM 64 NZ LYS A 316 -5.554 13.435 -18.647 1.00 0.00 N ATOM 0 H LYS A 316 -7.620 11.729 -13.451 1.00 0.00 H new ATOM 0 HA LYS A 316 -10.076 13.309 -13.195 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -9.328 14.323 -15.244 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -7.903 14.090 -14.250 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -7.533 11.857 -15.442 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -8.847 12.278 -16.523 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -7.575 14.480 -17.010 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -6.215 13.786 -16.150 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -6.440 11.735 -17.724 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -7.551 12.702 -18.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -5.284 12.906 -19.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -5.824 14.404 -18.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -4.748 13.467 -17.990 1.00 0.00 H new ATOM 78 N HIS A 317 -10.202 10.472 -14.531 1.00 0.00 N ATOM 79 CA HIS A 317 -11.023 9.498 -15.288 1.00 0.00 C ATOM 80 C HIS A 317 -11.618 8.469 -14.323 1.00 0.00 C ATOM 81 O HIS A 317 -12.188 7.477 -14.736 1.00 0.00 O ATOM 82 CB HIS A 317 -10.135 8.780 -16.304 1.00 0.00 C ATOM 83 CG HIS A 317 -10.745 8.890 -17.674 1.00 0.00 C ATOM 84 ND1 HIS A 317 -10.186 9.673 -18.674 1.00 0.00 N ATOM 85 CD2 HIS A 317 -11.869 8.323 -18.225 1.00 0.00 C ATOM 86 CE1 HIS A 317 -10.967 9.558 -19.764 1.00 0.00 C ATOM 87 NE2 HIS A 317 -12.002 8.748 -19.542 1.00 0.00 N ATOM 0 H HIS A 317 -9.497 10.057 -13.922 1.00 0.00 H new ATOM 0 HA HIS A 317 -11.829 10.021 -15.802 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -9.137 9.218 -16.303 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -10.023 7.732 -16.028 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -12.544 7.652 -17.715 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -10.779 10.060 -20.702 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -12.738 8.493 -20.201 1.00 0.00 H new ATOM 96 N CYS A 318 -11.489 8.688 -13.041 1.00 0.00 N ATOM 97 CA CYS A 318 -12.046 7.713 -12.064 1.00 0.00 C ATOM 98 C CYS A 318 -12.271 8.393 -10.718 1.00 0.00 C ATOM 99 O CYS A 318 -11.371 8.957 -10.127 1.00 0.00 O ATOM 100 CB CYS A 318 -11.074 6.558 -11.866 1.00 0.00 C ATOM 101 SG CYS A 318 -10.676 6.428 -10.105 1.00 0.00 S ATOM 0 H CYS A 318 -11.023 9.498 -12.631 1.00 0.00 H new ATOM 0 HA CYS A 318 -12.992 7.338 -12.454 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -11.515 5.628 -12.223 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -10.167 6.724 -12.447 1.00 0.00 H new ATOM 106 N LYS A 319 -13.468 8.342 -10.236 1.00 0.00 N ATOM 107 CA LYS A 319 -13.788 8.971 -8.936 1.00 0.00 C ATOM 108 C LYS A 319 -13.566 7.960 -7.808 1.00 0.00 C ATOM 109 O LYS A 319 -13.858 8.224 -6.660 1.00 0.00 O ATOM 110 CB LYS A 319 -15.237 9.407 -8.998 1.00 0.00 C ATOM 111 CG LYS A 319 -15.375 10.345 -10.192 1.00 0.00 C ATOM 112 CD LYS A 319 -16.830 10.733 -10.387 1.00 0.00 C ATOM 113 CE LYS A 319 -16.952 11.605 -11.639 1.00 0.00 C ATOM 114 NZ LYS A 319 -18.273 11.363 -12.285 1.00 0.00 N ATOM 0 H LYS A 319 -14.255 7.883 -10.695 1.00 0.00 H new ATOM 0 HA LYS A 319 -13.147 9.830 -8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -15.894 8.544 -9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -15.527 9.912 -8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -14.771 11.238 -10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -14.997 9.859 -11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -17.447 9.840 -10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -17.195 11.275 -9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -16.852 12.657 -11.374 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -16.146 11.374 -12.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -18.357 11.955 -13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -18.351 10.361 -12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -19.035 11.604 -11.619 1.00 0.00 H new ATOM 128 N ASP A 320 -13.058 6.799 -8.138 1.00 0.00 N ATOM 129 CA ASP A 320 -12.815 5.757 -7.097 1.00 0.00 C ATOM 130 C ASP A 320 -14.120 5.437 -6.370 1.00 0.00 C ATOM 131 O ASP A 320 -14.175 5.410 -5.157 1.00 0.00 O ATOM 132 CB ASP A 320 -11.778 6.260 -6.086 1.00 0.00 C ATOM 133 CG ASP A 320 -10.428 6.447 -6.781 1.00 0.00 C ATOM 134 OD1 ASP A 320 -10.122 5.660 -7.660 1.00 0.00 O ATOM 135 OD2 ASP A 320 -9.718 7.369 -6.412 1.00 0.00 O ATOM 0 H ASP A 320 -12.801 6.528 -9.087 1.00 0.00 H new ATOM 0 HA ASP A 320 -12.439 4.855 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -12.108 7.204 -5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -11.680 5.548 -5.266 1.00 0.00 H new ATOM 140 N ASP A 321 -15.174 5.188 -7.098 1.00 0.00 N ATOM 141 CA ASP A 321 -16.470 4.865 -6.441 1.00 0.00 C ATOM 142 C ASP A 321 -16.310 3.590 -5.610 1.00 0.00 C ATOM 143 O ASP A 321 -15.549 2.708 -5.950 1.00 0.00 O ATOM 144 CB ASP A 321 -17.546 4.650 -7.506 1.00 0.00 C ATOM 145 CG ASP A 321 -17.815 5.968 -8.234 1.00 0.00 C ATOM 146 OD1 ASP A 321 -17.370 6.993 -7.744 1.00 0.00 O ATOM 147 OD2 ASP A 321 -18.463 5.931 -9.266 1.00 0.00 O ATOM 0 H ASP A 321 -15.193 5.194 -8.118 1.00 0.00 H new ATOM 0 HA ASP A 321 -16.766 5.690 -5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -17.222 3.889 -8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -18.463 4.284 -7.043 1.00 0.00 H new ATOM 152 N VAL A 322 -17.020 3.488 -4.522 1.00 0.00 N ATOM 153 CA VAL A 322 -16.910 2.273 -3.667 1.00 0.00 C ATOM 154 C VAL A 322 -17.485 1.070 -4.411 1.00 0.00 C ATOM 155 O VAL A 322 -17.002 -0.038 -4.296 1.00 0.00 O ATOM 156 CB VAL A 322 -17.700 2.491 -2.374 1.00 0.00 C ATOM 157 CG1 VAL A 322 -17.785 1.175 -1.597 1.00 0.00 C ATOM 158 CG2 VAL A 322 -16.995 3.543 -1.516 1.00 0.00 C ATOM 0 H VAL A 322 -17.674 4.196 -4.187 1.00 0.00 H new ATOM 0 HA VAL A 322 -15.862 2.089 -3.432 1.00 0.00 H new ATOM 0 HB VAL A 322 -18.705 2.834 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -18.348 1.332 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -18.288 0.424 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -16.780 0.831 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -17.558 3.698 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -15.989 3.200 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -16.935 4.481 -2.067 1.00 0.00 H new ATOM 168 N ASN A 323 -18.523 1.286 -5.164 1.00 0.00 N ATOM 169 CA ASN A 323 -19.158 0.171 -5.911 1.00 0.00 C ATOM 170 C ASN A 323 -18.246 -0.289 -7.045 1.00 0.00 C ATOM 171 O ASN A 323 -18.263 -1.440 -7.437 1.00 0.00 O ATOM 172 CB ASN A 323 -20.483 0.656 -6.490 1.00 0.00 C ATOM 173 CG ASN A 323 -21.432 1.027 -5.350 1.00 0.00 C ATOM 174 OD1 ASN A 323 -21.344 0.479 -4.269 1.00 0.00 O ATOM 175 ND2 ASN A 323 -22.339 1.945 -5.544 1.00 0.00 N ATOM 0 H ASN A 323 -18.963 2.197 -5.295 1.00 0.00 H new ATOM 0 HA ASN A 323 -19.329 -0.667 -5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -20.316 1.519 -7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -20.928 -0.123 -7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -22.974 2.202 -4.788 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -22.413 2.405 -6.451 1.00 0.00 H new ATOM 182 N ARG A 324 -17.470 0.605 -7.593 1.00 0.00 N ATOM 183 CA ARG A 324 -16.577 0.231 -8.723 1.00 0.00 C ATOM 184 C ARG A 324 -15.112 0.423 -8.326 1.00 0.00 C ATOM 185 O ARG A 324 -14.763 1.346 -7.620 1.00 0.00 O ATOM 186 CB ARG A 324 -16.904 1.125 -9.917 1.00 0.00 C ATOM 187 CG ARG A 324 -18.331 0.842 -10.387 1.00 0.00 C ATOM 188 CD ARG A 324 -18.628 1.659 -11.646 1.00 0.00 C ATOM 189 NE ARG A 324 -20.080 1.564 -11.963 1.00 0.00 N ATOM 190 CZ ARG A 324 -20.564 2.184 -13.005 1.00 0.00 C ATOM 191 NH1 ARG A 324 -19.774 2.886 -13.771 1.00 0.00 N ATOM 192 NH2 ARG A 324 -21.837 2.102 -13.279 1.00 0.00 N ATOM 0 H ARG A 324 -17.417 1.582 -7.305 1.00 0.00 H new ATOM 0 HA ARG A 324 -16.733 -0.816 -8.981 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -16.802 2.174 -9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -16.199 0.940 -10.728 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -18.452 -0.221 -10.594 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -19.041 1.096 -9.600 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -18.345 2.700 -11.493 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -18.036 1.287 -12.483 1.00 0.00 H new ATOM 0 HE ARG A 324 -20.697 1.014 -11.365 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -18.779 2.950 -13.555 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -20.152 3.371 -14.585 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -22.453 1.554 -12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -22.216 2.586 -14.093 1.00 0.00 H new ATOM 206 N LEU A 325 -14.252 -0.449 -8.779 1.00 0.00 N ATOM 207 CA LEU A 325 -12.809 -0.326 -8.433 1.00 0.00 C ATOM 208 C LEU A 325 -12.042 0.261 -9.623 1.00 0.00 C ATOM 209 O LEU A 325 -12.308 -0.059 -10.763 1.00 0.00 O ATOM 210 CB LEU A 325 -12.243 -1.703 -8.091 1.00 0.00 C ATOM 211 CG LEU A 325 -10.826 -1.533 -7.544 1.00 0.00 C ATOM 212 CD1 LEU A 325 -10.876 -0.961 -6.123 1.00 0.00 C ATOM 213 CD2 LEU A 325 -10.118 -2.890 -7.521 1.00 0.00 C ATOM 0 H LEU A 325 -14.488 -1.242 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 325 -12.701 0.333 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -12.875 -2.198 -7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -12.231 -2.337 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 325 -10.278 -0.845 -8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -9.861 -0.844 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -11.372 0.009 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -11.430 -1.641 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -9.108 -2.767 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -10.672 -3.579 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -10.069 -3.292 -8.533 1.00 0.00 H new ATOM 225 N CYS A 326 -11.098 1.128 -9.362 1.00 0.00 N ATOM 226 CA CYS A 326 -10.324 1.746 -10.477 1.00 0.00 C ATOM 227 C CYS A 326 -8.933 1.117 -10.587 1.00 0.00 C ATOM 228 O CYS A 326 -8.232 0.945 -9.610 1.00 0.00 O ATOM 229 CB CYS A 326 -10.169 3.238 -10.213 1.00 0.00 C ATOM 230 SG CYS A 326 -8.649 3.833 -10.995 1.00 0.00 S ATOM 0 H CYS A 326 -10.831 1.434 -8.426 1.00 0.00 H new ATOM 0 HA CYS A 326 -10.864 1.577 -11.409 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -11.029 3.779 -10.607 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -10.137 3.427 -9.140 1.00 0.00 H new ATOM 235 N ARG A 327 -8.530 0.789 -11.784 1.00 0.00 N ATOM 236 CA ARG A 327 -7.183 0.184 -12.000 1.00 0.00 C ATOM 237 C ARG A 327 -6.075 1.165 -11.596 1.00 0.00 C ATOM 238 O ARG A 327 -5.049 0.773 -11.074 1.00 0.00 O ATOM 239 CB ARG A 327 -7.039 -0.164 -13.484 1.00 0.00 C ATOM 240 CG ARG A 327 -7.839 -1.433 -13.790 1.00 0.00 C ATOM 241 CD ARG A 327 -7.663 -1.810 -15.263 1.00 0.00 C ATOM 242 NE ARG A 327 -8.560 -2.954 -15.591 1.00 0.00 N ATOM 243 CZ ARG A 327 -8.907 -3.179 -16.829 1.00 0.00 C ATOM 244 NH1 ARG A 327 -8.463 -2.404 -17.781 1.00 0.00 N ATOM 245 NH2 ARG A 327 -9.695 -4.178 -17.117 1.00 0.00 N ATOM 0 H ARG A 327 -9.083 0.916 -12.632 1.00 0.00 H new ATOM 0 HA ARG A 327 -7.089 -0.711 -11.385 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -7.397 0.662 -14.099 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -5.989 -0.314 -13.733 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -7.501 -2.250 -13.152 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -8.894 -1.272 -13.569 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -7.897 -0.956 -15.899 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -6.625 -2.079 -15.460 1.00 0.00 H new ATOM 0 HE ARG A 327 -8.903 -3.562 -14.847 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -7.846 -1.624 -17.557 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -8.733 -2.579 -18.749 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -10.041 -4.785 -16.374 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -9.965 -4.352 -18.085 1.00 0.00 H new ATOM 259 N VAL A 328 -6.263 2.430 -11.844 1.00 0.00 N ATOM 260 CA VAL A 328 -5.213 3.431 -11.489 1.00 0.00 C ATOM 261 C VAL A 328 -5.120 3.566 -9.968 1.00 0.00 C ATOM 262 O VAL A 328 -4.055 3.760 -9.416 1.00 0.00 O ATOM 263 CB VAL A 328 -5.564 4.786 -12.114 1.00 0.00 C ATOM 264 CG1 VAL A 328 -4.531 5.835 -11.703 1.00 0.00 C ATOM 265 CG2 VAL A 328 -5.570 4.652 -13.638 1.00 0.00 C ATOM 0 H VAL A 328 -7.100 2.818 -12.279 1.00 0.00 H new ATOM 0 HA VAL A 328 -4.250 3.097 -11.875 1.00 0.00 H new ATOM 0 HB VAL A 328 -6.548 5.098 -11.765 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -4.788 6.794 -12.152 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -4.523 5.932 -10.617 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -3.543 5.527 -12.046 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -5.819 5.614 -14.087 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -4.584 4.337 -13.979 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -6.311 3.910 -13.935 1.00 0.00 H new ATOM 275 N CYS A 329 -6.226 3.470 -9.288 1.00 0.00 N ATOM 276 CA CYS A 329 -6.206 3.596 -7.805 1.00 0.00 C ATOM 277 C CYS A 329 -6.206 2.206 -7.176 1.00 0.00 C ATOM 278 O CYS A 329 -6.160 2.068 -5.969 1.00 0.00 O ATOM 279 CB CYS A 329 -7.450 4.351 -7.336 1.00 0.00 C ATOM 280 SG CYS A 329 -7.461 6.013 -8.049 1.00 0.00 S ATOM 0 H CYS A 329 -7.147 3.309 -9.696 1.00 0.00 H new ATOM 0 HA CYS A 329 -5.310 4.140 -7.505 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -8.349 3.811 -7.634 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -7.461 4.412 -6.248 1.00 0.00 H new ATOM 285 N ALA A 330 -6.283 1.176 -7.976 1.00 0.00 N ATOM 286 CA ALA A 330 -6.315 -0.200 -7.402 1.00 0.00 C ATOM 287 C ALA A 330 -5.318 -1.115 -8.116 1.00 0.00 C ATOM 288 O ALA A 330 -4.173 -0.766 -8.324 1.00 0.00 O ATOM 289 CB ALA A 330 -7.727 -0.759 -7.546 1.00 0.00 C ATOM 0 H ALA A 330 -6.325 1.227 -8.994 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.034 -0.154 -6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -7.764 -1.766 -7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -8.428 -0.119 -7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -7.999 -0.792 -8.601 1.00 0.00 H new ATOM 295 N CYS A 331 -5.743 -2.298 -8.466 1.00 0.00 N ATOM 296 CA CYS A 331 -4.825 -3.258 -9.138 1.00 0.00 C ATOM 297 C CYS A 331 -5.017 -3.206 -10.654 1.00 0.00 C ATOM 298 O CYS A 331 -6.072 -3.504 -11.170 1.00 0.00 O ATOM 299 CB CYS A 331 -5.130 -4.668 -8.634 1.00 0.00 C ATOM 300 SG CYS A 331 -3.639 -5.683 -8.740 1.00 0.00 S ATOM 0 H CYS A 331 -6.691 -2.642 -8.314 1.00 0.00 H new ATOM 0 HA CYS A 331 -3.794 -2.991 -8.908 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -5.483 -4.629 -7.604 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -5.928 -5.113 -9.228 1.00 0.00 H new ATOM 305 N HIS A 332 -4.001 -2.825 -11.373 1.00 0.00 N ATOM 306 CA HIS A 332 -4.125 -2.753 -12.854 1.00 0.00 C ATOM 307 C HIS A 332 -4.226 -4.160 -13.453 1.00 0.00 C ATOM 308 O HIS A 332 -4.957 -4.392 -14.394 1.00 0.00 O ATOM 309 CB HIS A 332 -2.899 -2.042 -13.430 1.00 0.00 C ATOM 310 CG HIS A 332 -3.091 -1.824 -14.906 1.00 0.00 C ATOM 311 ND1 HIS A 332 -4.013 -0.914 -15.405 1.00 0.00 N ATOM 312 CD2 HIS A 332 -2.489 -2.388 -16.004 1.00 0.00 C ATOM 313 CE1 HIS A 332 -3.939 -0.957 -16.748 1.00 0.00 C ATOM 314 NE2 HIS A 332 -3.027 -1.838 -17.160 1.00 0.00 N ATOM 0 H HIS A 332 -3.090 -2.560 -11.000 1.00 0.00 H new ATOM 0 HA HIS A 332 -5.029 -2.199 -13.106 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -2.750 -1.086 -12.927 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -2.004 -2.638 -13.253 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -1.717 -3.142 -15.973 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -4.543 -0.353 -17.409 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -2.777 -2.061 -18.123 1.00 0.00 H new ATOM 323 N LEU A 333 -3.477 -5.090 -12.933 1.00 0.00 N ATOM 324 CA LEU A 333 -3.502 -6.473 -13.492 1.00 0.00 C ATOM 325 C LEU A 333 -4.865 -7.143 -13.275 1.00 0.00 C ATOM 326 O LEU A 333 -5.304 -7.924 -14.096 1.00 0.00 O ATOM 327 CB LEU A 333 -2.415 -7.310 -12.818 1.00 0.00 C ATOM 328 CG LEU A 333 -1.054 -6.638 -13.013 1.00 0.00 C ATOM 329 CD1 LEU A 333 0.038 -7.502 -12.378 1.00 0.00 C ATOM 330 CD2 LEU A 333 -0.769 -6.481 -14.508 1.00 0.00 C ATOM 0 H LEU A 333 -2.846 -4.954 -12.143 1.00 0.00 H new ATOM 0 HA LEU A 333 -3.322 -6.409 -14.565 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -2.630 -7.416 -11.755 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -2.400 -8.314 -13.242 1.00 0.00 H new ATOM 0 HG LEU A 333 -1.065 -5.656 -12.539 1.00 0.00 H new ATOM 0 HD11 LEU A 333 1.007 -7.023 -12.517 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -0.161 -7.615 -11.312 1.00 0.00 H new ATOM 0 HD13 LEU A 333 0.047 -8.484 -12.852 1.00 0.00 H new ATOM 0 HD21 LEU A 333 0.201 -6.002 -14.645 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -0.759 -7.463 -14.982 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -1.545 -5.866 -14.964 1.00 0.00 H new ATOM 342 N CYS A 334 -5.527 -6.875 -12.180 1.00 0.00 N ATOM 343 CA CYS A 334 -6.844 -7.538 -11.937 1.00 0.00 C ATOM 344 C CYS A 334 -7.882 -6.529 -11.433 1.00 0.00 C ATOM 345 O CYS A 334 -9.068 -6.789 -11.463 1.00 0.00 O ATOM 346 CB CYS A 334 -6.667 -8.656 -10.903 1.00 0.00 C ATOM 347 SG CYS A 334 -6.473 -7.942 -9.250 1.00 0.00 S ATOM 0 H CYS A 334 -5.218 -6.233 -11.450 1.00 0.00 H new ATOM 0 HA CYS A 334 -7.202 -7.955 -12.878 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -7.530 -9.321 -10.922 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -5.794 -9.259 -11.153 1.00 0.00 H new ATOM 352 N GLY A 335 -7.459 -5.386 -10.974 1.00 0.00 N ATOM 353 CA GLY A 335 -8.445 -4.380 -10.477 1.00 0.00 C ATOM 354 C GLY A 335 -9.480 -5.075 -9.599 1.00 0.00 C ATOM 355 O GLY A 335 -10.651 -5.128 -9.919 1.00 0.00 O ATOM 0 H GLY A 335 -6.481 -5.103 -10.920 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -7.933 -3.603 -9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -8.936 -3.890 -11.318 1.00 0.00 H new ATOM 359 N GLY A 336 -9.055 -5.599 -8.487 1.00 0.00 N ATOM 360 CA GLY A 336 -10.002 -6.284 -7.570 1.00 0.00 C ATOM 361 C GLY A 336 -9.628 -5.929 -6.136 1.00 0.00 C ATOM 362 O GLY A 336 -8.599 -5.332 -5.890 1.00 0.00 O ATOM 0 H GLY A 336 -8.085 -5.582 -8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -11.025 -5.975 -7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -9.958 -7.363 -7.717 1.00 0.00 H new ATOM 366 N ARG A 337 -10.443 -6.281 -5.185 1.00 0.00 N ATOM 367 CA ARG A 337 -10.102 -5.944 -3.781 1.00 0.00 C ATOM 368 C ARG A 337 -9.384 -7.126 -3.130 1.00 0.00 C ATOM 369 O ARG A 337 -9.950 -8.185 -2.941 1.00 0.00 O ATOM 370 CB ARG A 337 -11.378 -5.629 -2.998 1.00 0.00 C ATOM 371 CG ARG A 337 -11.005 -5.216 -1.572 1.00 0.00 C ATOM 372 CD ARG A 337 -12.277 -4.955 -0.764 1.00 0.00 C ATOM 373 NE ARG A 337 -11.903 -4.499 0.604 1.00 0.00 N ATOM 374 CZ ARG A 337 -11.629 -5.377 1.531 1.00 0.00 C ATOM 375 NH1 ARG A 337 -11.695 -6.653 1.264 1.00 0.00 N ATOM 376 NH2 ARG A 337 -11.285 -4.980 2.726 1.00 0.00 N ATOM 0 H ARG A 337 -11.321 -6.782 -5.318 1.00 0.00 H new ATOM 0 HA ARG A 337 -9.449 -5.071 -3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -11.931 -4.828 -3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -12.031 -6.501 -2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -10.416 -6.001 -1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -10.385 -4.320 -1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -12.887 -4.199 -1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -12.878 -5.862 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 337 -11.861 -3.502 0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -11.961 -6.966 0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -11.481 -7.338 1.989 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -11.230 -3.983 2.936 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -11.071 -5.666 3.450 1.00 0.00 H new ATOM 390 N GLN A 338 -8.142 -6.949 -2.777 1.00 0.00 N ATOM 391 CA GLN A 338 -7.381 -8.050 -2.127 1.00 0.00 C ATOM 392 C GLN A 338 -6.285 -7.445 -1.250 1.00 0.00 C ATOM 393 O GLN A 338 -5.257 -7.019 -1.736 1.00 0.00 O ATOM 394 CB GLN A 338 -6.732 -8.939 -3.191 1.00 0.00 C ATOM 395 CG GLN A 338 -7.807 -9.559 -4.085 1.00 0.00 C ATOM 396 CD GLN A 338 -7.158 -10.583 -5.016 1.00 0.00 C ATOM 397 OE1 GLN A 338 -7.182 -11.767 -4.749 1.00 0.00 O ATOM 398 NE2 GLN A 338 -6.562 -10.171 -6.101 1.00 0.00 N ATOM 0 H GLN A 338 -7.619 -6.084 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 338 -8.062 -8.650 -1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -6.041 -8.351 -3.795 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -6.148 -9.725 -2.712 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -8.572 -10.038 -3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -8.304 -8.783 -4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -6.542 -9.176 -6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -6.116 -10.844 -6.725 1.00 0.00 H new ATOM 407 N ASP A 339 -6.491 -7.400 0.035 1.00 0.00 N ATOM 408 CA ASP A 339 -5.452 -6.818 0.924 1.00 0.00 C ATOM 409 C ASP A 339 -5.001 -5.469 0.353 1.00 0.00 C ATOM 410 O ASP A 339 -3.836 -5.262 0.079 1.00 0.00 O ATOM 411 CB ASP A 339 -4.256 -7.772 0.989 1.00 0.00 C ATOM 412 CG ASP A 339 -4.471 -8.787 2.112 1.00 0.00 C ATOM 413 OD1 ASP A 339 -4.879 -8.376 3.186 1.00 0.00 O ATOM 414 OD2 ASP A 339 -4.225 -9.960 1.879 1.00 0.00 O ATOM 0 H ASP A 339 -7.330 -7.739 0.506 1.00 0.00 H new ATOM 0 HA ASP A 339 -5.858 -6.673 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -4.137 -8.288 0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -3.339 -7.210 1.164 1.00 0.00 H new ATOM 419 N PRO A 340 -5.923 -4.559 0.173 1.00 0.00 N ATOM 420 CA PRO A 340 -5.620 -3.207 -0.379 1.00 0.00 C ATOM 421 C PRO A 340 -4.616 -2.445 0.489 1.00 0.00 C ATOM 422 O PRO A 340 -3.899 -1.586 0.018 1.00 0.00 O ATOM 423 CB PRO A 340 -6.973 -2.485 -0.391 1.00 0.00 C ATOM 424 CG PRO A 340 -7.876 -3.286 0.489 1.00 0.00 C ATOM 425 CD PRO A 340 -7.350 -4.717 0.477 1.00 0.00 C ATOM 0 HA PRO A 340 -5.164 -3.273 -1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -6.874 -1.464 -0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -7.372 -2.420 -1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -7.882 -2.885 1.503 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -8.903 -3.249 0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -7.503 -5.208 1.438 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -7.855 -5.323 -0.275 1.00 0.00 H new ATOM 433 N ASP A 341 -4.558 -2.761 1.751 1.00 0.00 N ATOM 434 CA ASP A 341 -3.606 -2.063 2.652 1.00 0.00 C ATOM 435 C ASP A 341 -2.174 -2.338 2.191 1.00 0.00 C ATOM 436 O ASP A 341 -1.276 -1.549 2.408 1.00 0.00 O ATOM 437 CB ASP A 341 -3.791 -2.583 4.078 1.00 0.00 C ATOM 438 CG ASP A 341 -5.160 -2.148 4.606 1.00 0.00 C ATOM 439 OD1 ASP A 341 -5.779 -1.311 3.971 1.00 0.00 O ATOM 440 OD2 ASP A 341 -5.565 -2.660 5.635 1.00 0.00 O ATOM 0 H ASP A 341 -5.132 -3.476 2.198 1.00 0.00 H new ATOM 0 HA ASP A 341 -3.795 -0.990 2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -3.712 -3.670 4.093 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -3.001 -2.197 4.723 1.00 0.00 H new ATOM 445 N LYS A 342 -1.955 -3.462 1.570 1.00 0.00 N ATOM 446 CA LYS A 342 -0.584 -3.806 1.106 1.00 0.00 C ATOM 447 C LYS A 342 -0.421 -3.445 -0.373 1.00 0.00 C ATOM 448 O LYS A 342 0.205 -4.160 -1.131 1.00 0.00 O ATOM 449 CB LYS A 342 -0.364 -5.304 1.304 1.00 0.00 C ATOM 450 CG LYS A 342 -0.558 -5.637 2.782 1.00 0.00 C ATOM 451 CD LYS A 342 -0.248 -7.116 3.020 1.00 0.00 C ATOM 452 CE LYS A 342 -0.582 -7.482 4.468 1.00 0.00 C ATOM 453 NZ LYS A 342 -1.577 -8.591 4.483 1.00 0.00 N ATOM 0 H LYS A 342 -2.670 -4.160 1.363 1.00 0.00 H new ATOM 0 HA LYS A 342 0.151 -3.243 1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -1.065 -5.873 0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 342 0.639 -5.584 0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 342 0.095 -5.015 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -1.582 -5.417 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -0.827 -7.735 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 342 0.804 -7.315 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 342 0.323 -7.784 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -0.982 -6.613 4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -1.804 -8.840 5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -2.443 -8.287 3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -1.179 -9.421 3.999 1.00 0.00 H new ATOM 467 N GLN A 343 -0.974 -2.338 -0.789 1.00 0.00 N ATOM 468 CA GLN A 343 -0.846 -1.930 -2.217 1.00 0.00 C ATOM 469 C GLN A 343 0.481 -1.194 -2.399 1.00 0.00 C ATOM 470 O GLN A 343 0.743 -0.200 -1.749 1.00 0.00 O ATOM 471 CB GLN A 343 -1.999 -0.992 -2.581 1.00 0.00 C ATOM 472 CG GLN A 343 -1.958 -0.659 -4.075 1.00 0.00 C ATOM 473 CD GLN A 343 -2.516 -1.833 -4.881 1.00 0.00 C ATOM 474 OE1 GLN A 343 -3.126 -2.728 -4.331 1.00 0.00 O ATOM 475 NE2 GLN A 343 -2.339 -1.860 -6.172 1.00 0.00 N ATOM 0 H GLN A 343 -1.509 -1.698 -0.201 1.00 0.00 H new ATOM 0 HA GLN A 343 -0.877 -2.809 -2.861 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -2.951 -1.460 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -1.931 -0.076 -1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -2.541 0.240 -4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -0.934 -0.449 -4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -1.827 -1.108 -6.632 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -2.713 -2.633 -6.722 1.00 0.00 H new ATOM 484 N LEU A 344 1.324 -1.677 -3.270 1.00 0.00 N ATOM 485 CA LEU A 344 2.637 -1.013 -3.483 1.00 0.00 C ATOM 486 C LEU A 344 2.621 -0.273 -4.824 1.00 0.00 C ATOM 487 O LEU A 344 2.236 -0.826 -5.842 1.00 0.00 O ATOM 488 CB LEU A 344 3.735 -2.075 -3.498 1.00 0.00 C ATOM 489 CG LEU A 344 5.019 -1.505 -2.893 1.00 0.00 C ATOM 490 CD1 LEU A 344 6.159 -2.515 -3.061 1.00 0.00 C ATOM 491 CD2 LEU A 344 5.388 -0.200 -3.599 1.00 0.00 C ATOM 0 H LEU A 344 1.158 -2.504 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 344 2.826 -0.300 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.414 -2.950 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 344 3.920 -2.405 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 344 4.859 -1.310 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 344 7.073 -2.107 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 344 5.900 -3.444 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 344 6.316 -2.714 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 344 6.303 0.202 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.544 -0.392 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 344 4.580 0.521 -3.476 1.00 0.00 H new ATOM 503 N MET A 345 3.027 0.974 -4.831 1.00 0.00 N ATOM 504 CA MET A 345 3.025 1.755 -6.103 1.00 0.00 C ATOM 505 C MET A 345 4.295 2.597 -6.229 1.00 0.00 C ATOM 506 O MET A 345 4.797 3.134 -5.261 1.00 0.00 O ATOM 507 CB MET A 345 1.800 2.670 -6.118 1.00 0.00 C ATOM 508 CG MET A 345 1.715 3.398 -7.461 1.00 0.00 C ATOM 509 SD MET A 345 0.359 4.595 -7.411 1.00 0.00 S ATOM 510 CE MET A 345 -1.001 3.400 -7.402 1.00 0.00 C ATOM 0 H MET A 345 3.359 1.482 -4.011 1.00 0.00 H new ATOM 0 HA MET A 345 2.991 1.062 -6.944 1.00 0.00 H new ATOM 0 HB2 MET A 345 0.895 2.085 -5.953 1.00 0.00 H new ATOM 0 HB3 MET A 345 1.865 3.393 -5.305 1.00 0.00 H new ATOM 0 HG2 MET A 345 2.656 3.906 -7.672 1.00 0.00 H new ATOM 0 HG3 MET A 345 1.553 2.681 -8.266 1.00 0.00 H new ATOM 0 HE1 MET A 345 -1.932 3.906 -7.657 1.00 0.00 H new ATOM 0 HE2 MET A 345 -0.802 2.617 -8.134 1.00 0.00 H new ATOM 0 HE3 MET A 345 -1.089 2.956 -6.410 1.00 0.00 H new ATOM 520 N CYS A 346 4.809 2.736 -7.428 1.00 0.00 N ATOM 521 CA CYS A 346 6.039 3.571 -7.614 1.00 0.00 C ATOM 522 C CYS A 346 5.604 5.035 -7.746 1.00 0.00 C ATOM 523 O CYS A 346 4.945 5.414 -8.687 1.00 0.00 O ATOM 524 CB CYS A 346 6.800 3.110 -8.870 1.00 0.00 C ATOM 525 SG CYS A 346 7.584 4.528 -9.690 1.00 0.00 S ATOM 0 H CYS A 346 4.435 2.313 -8.277 1.00 0.00 H new ATOM 0 HA CYS A 346 6.708 3.463 -6.761 1.00 0.00 H new ATOM 0 HB2 CYS A 346 7.558 2.376 -8.595 1.00 0.00 H new ATOM 0 HB3 CYS A 346 6.114 2.617 -9.559 1.00 0.00 H new ATOM 530 N ASP A 347 5.942 5.851 -6.787 1.00 0.00 N ATOM 531 CA ASP A 347 5.514 7.283 -6.821 1.00 0.00 C ATOM 532 C ASP A 347 5.697 7.886 -8.214 1.00 0.00 C ATOM 533 O ASP A 347 4.876 8.654 -8.674 1.00 0.00 O ATOM 534 CB ASP A 347 6.344 8.080 -5.813 1.00 0.00 C ATOM 535 CG ASP A 347 5.779 9.495 -5.688 1.00 0.00 C ATOM 536 OD1 ASP A 347 4.748 9.755 -6.286 1.00 0.00 O ATOM 537 OD2 ASP A 347 6.386 10.295 -4.995 1.00 0.00 O ATOM 0 H ASP A 347 6.500 5.588 -5.975 1.00 0.00 H new ATOM 0 HA ASP A 347 4.456 7.330 -6.565 1.00 0.00 H new ATOM 0 HB2 ASP A 347 6.329 7.585 -4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 347 7.385 8.120 -6.135 1.00 0.00 H new ATOM 542 N GLU A 348 6.758 7.564 -8.886 1.00 0.00 N ATOM 543 CA GLU A 348 6.971 8.144 -10.240 1.00 0.00 C ATOM 544 C GLU A 348 5.861 7.681 -11.193 1.00 0.00 C ATOM 545 O GLU A 348 5.538 8.359 -12.148 1.00 0.00 O ATOM 546 CB GLU A 348 8.333 7.708 -10.777 1.00 0.00 C ATOM 547 CG GLU A 348 8.639 8.462 -12.073 1.00 0.00 C ATOM 548 CD GLU A 348 8.885 9.938 -11.760 1.00 0.00 C ATOM 549 OE1 GLU A 348 9.264 10.230 -10.638 1.00 0.00 O ATOM 550 OE2 GLU A 348 8.691 10.752 -12.648 1.00 0.00 O ATOM 0 H GLU A 348 7.486 6.928 -8.562 1.00 0.00 H new ATOM 0 HA GLU A 348 6.943 9.231 -10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 348 9.108 7.907 -10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 348 8.336 6.633 -10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 348 9.515 8.032 -12.558 1.00 0.00 H new ATOM 0 HG3 GLU A 348 7.807 8.361 -12.770 1.00 0.00 H new ATOM 557 N CYS A 349 5.285 6.530 -10.954 1.00 0.00 N ATOM 558 CA CYS A 349 4.208 6.028 -11.863 1.00 0.00 C ATOM 559 C CYS A 349 2.991 5.569 -11.056 1.00 0.00 C ATOM 560 O CYS A 349 3.095 5.180 -9.912 1.00 0.00 O ATOM 561 CB CYS A 349 4.743 4.846 -12.671 1.00 0.00 C ATOM 562 SG CYS A 349 6.402 5.236 -13.269 1.00 0.00 S ATOM 0 H CYS A 349 5.513 5.917 -10.171 1.00 0.00 H new ATOM 0 HA CYS A 349 3.906 6.837 -12.528 1.00 0.00 H new ATOM 0 HB2 CYS A 349 4.768 3.949 -12.052 1.00 0.00 H new ATOM 0 HB3 CYS A 349 4.081 4.635 -13.511 1.00 0.00 H new ATOM 567 N ASP A 350 1.833 5.599 -11.650 1.00 0.00 N ATOM 568 CA ASP A 350 0.615 5.154 -10.921 1.00 0.00 C ATOM 569 C ASP A 350 0.467 3.641 -11.076 1.00 0.00 C ATOM 570 O ASP A 350 -0.608 3.091 -10.944 1.00 0.00 O ATOM 571 CB ASP A 350 -0.617 5.856 -11.494 1.00 0.00 C ATOM 572 CG ASP A 350 -0.534 7.356 -11.208 1.00 0.00 C ATOM 573 OD1 ASP A 350 0.296 7.739 -10.399 1.00 0.00 O ATOM 574 OD2 ASP A 350 -1.300 8.096 -11.802 1.00 0.00 O ATOM 0 H ASP A 350 1.677 5.912 -12.608 1.00 0.00 H new ATOM 0 HA ASP A 350 0.706 5.408 -9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -0.679 5.684 -12.568 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -1.523 5.441 -11.052 1.00 0.00 H new ATOM 579 N MET A 351 1.546 2.969 -11.366 1.00 0.00 N ATOM 580 CA MET A 351 1.485 1.491 -11.543 1.00 0.00 C ATOM 581 C MET A 351 1.826 0.792 -10.225 1.00 0.00 C ATOM 582 O MET A 351 2.730 1.194 -9.505 1.00 0.00 O ATOM 583 CB MET A 351 2.489 1.062 -12.615 1.00 0.00 C ATOM 584 CG MET A 351 2.268 -0.413 -12.959 1.00 0.00 C ATOM 585 SD MET A 351 3.576 -0.976 -14.076 1.00 0.00 S ATOM 586 CE MET A 351 3.171 0.112 -15.464 1.00 0.00 C ATOM 0 H MET A 351 2.471 3.381 -11.489 1.00 0.00 H new ATOM 0 HA MET A 351 0.477 1.212 -11.849 1.00 0.00 H new ATOM 0 HB2 MET A 351 2.369 1.677 -13.507 1.00 0.00 H new ATOM 0 HB3 MET A 351 3.507 1.215 -12.257 1.00 0.00 H new ATOM 0 HG2 MET A 351 2.269 -1.013 -12.049 1.00 0.00 H new ATOM 0 HG3 MET A 351 1.293 -0.546 -13.428 1.00 0.00 H new ATOM 0 HE1 MET A 351 3.495 -0.351 -16.396 1.00 0.00 H new ATOM 0 HE2 MET A 351 2.094 0.276 -15.496 1.00 0.00 H new ATOM 0 HE3 MET A 351 3.680 1.068 -15.338 1.00 0.00 H new ATOM 596 N ALA A 352 1.107 -0.258 -9.909 1.00 0.00 N ATOM 597 CA ALA A 352 1.374 -0.998 -8.645 1.00 0.00 C ATOM 598 C ALA A 352 1.827 -2.416 -8.961 1.00 0.00 C ATOM 599 O ALA A 352 2.048 -2.768 -10.102 1.00 0.00 O ATOM 600 CB ALA A 352 0.105 -1.040 -7.792 1.00 0.00 C ATOM 0 H ALA A 352 0.346 -0.632 -10.476 1.00 0.00 H new ATOM 0 HA ALA A 352 2.162 -0.486 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 352 0.305 -1.583 -6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -0.208 -0.023 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -0.688 -1.544 -8.344 1.00 0.00 H new ATOM 606 N PHE A 353 1.995 -3.225 -7.949 1.00 0.00 N ATOM 607 CA PHE A 353 2.470 -4.617 -8.185 1.00 0.00 C ATOM 608 C PHE A 353 1.518 -5.643 -7.569 1.00 0.00 C ATOM 609 O PHE A 353 0.882 -5.402 -6.564 1.00 0.00 O ATOM 610 CB PHE A 353 3.859 -4.757 -7.576 1.00 0.00 C ATOM 611 CG PHE A 353 4.778 -3.781 -8.265 1.00 0.00 C ATOM 612 CD1 PHE A 353 4.671 -2.411 -7.998 1.00 0.00 C ATOM 613 CD2 PHE A 353 5.723 -4.243 -9.183 1.00 0.00 C ATOM 614 CE1 PHE A 353 5.514 -1.505 -8.650 1.00 0.00 C ATOM 615 CE2 PHE A 353 6.567 -3.338 -9.834 1.00 0.00 C ATOM 616 CZ PHE A 353 6.463 -1.969 -9.567 1.00 0.00 C ATOM 0 H PHE A 353 1.824 -2.982 -6.973 1.00 0.00 H new ATOM 0 HA PHE A 353 2.503 -4.809 -9.258 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.826 -4.557 -6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.226 -5.776 -7.698 1.00 0.00 H new ATOM 0 HD1 PHE A 353 3.938 -2.054 -7.289 1.00 0.00 H new ATOM 0 HD2 PHE A 353 5.802 -5.300 -9.390 1.00 0.00 H new ATOM 0 HE1 PHE A 353 5.432 -0.448 -8.446 1.00 0.00 H new ATOM 0 HE2 PHE A 353 7.299 -3.696 -10.543 1.00 0.00 H new ATOM 0 HZ PHE A 353 7.116 -1.270 -10.069 1.00 0.00 H new ATOM 626 N HIS A 354 1.432 -6.796 -8.176 1.00 0.00 N ATOM 627 CA HIS A 354 0.539 -7.871 -7.660 1.00 0.00 C ATOM 628 C HIS A 354 1.102 -8.430 -6.350 1.00 0.00 C ATOM 629 O HIS A 354 0.715 -9.492 -5.903 1.00 0.00 O ATOM 630 CB HIS A 354 0.467 -8.993 -8.696 1.00 0.00 C ATOM 631 CG HIS A 354 -0.963 -9.201 -9.117 1.00 0.00 C ATOM 632 ND1 HIS A 354 -1.556 -10.454 -9.141 1.00 0.00 N ATOM 633 CD2 HIS A 354 -1.932 -8.321 -9.518 1.00 0.00 C ATOM 634 CE1 HIS A 354 -2.830 -10.292 -9.542 1.00 0.00 C ATOM 635 NE2 HIS A 354 -3.113 -9.010 -9.784 1.00 0.00 N ATOM 0 H HIS A 354 1.951 -7.041 -9.020 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.455 -7.463 -7.478 1.00 0.00 H new ATOM 0 HB2 HIS A 354 1.079 -8.741 -9.562 1.00 0.00 H new ATOM 0 HB3 HIS A 354 0.871 -9.915 -8.277 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -1.801 -7.253 -9.614 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -3.537 -11.100 -9.654 1.00 0.00 H new ATOM 0 HE2 HIS A 354 -4.002 -8.619 -10.096 1.00 0.00 H new ATOM 643 N ILE A 355 2.020 -7.736 -5.742 1.00 0.00 N ATOM 644 CA ILE A 355 2.618 -8.243 -4.472 1.00 0.00 C ATOM 645 C ILE A 355 1.514 -8.577 -3.464 1.00 0.00 C ATOM 646 O ILE A 355 1.637 -9.503 -2.688 1.00 0.00 O ATOM 647 CB ILE A 355 3.540 -7.175 -3.879 1.00 0.00 C ATOM 648 CG1 ILE A 355 4.334 -7.772 -2.717 1.00 0.00 C ATOM 649 CG2 ILE A 355 2.708 -5.997 -3.374 1.00 0.00 C ATOM 650 CD1 ILE A 355 5.432 -6.795 -2.295 1.00 0.00 C ATOM 0 H ILE A 355 2.384 -6.840 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 355 3.190 -9.146 -4.686 1.00 0.00 H new ATOM 0 HB ILE A 355 4.228 -6.827 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 355 3.671 -7.976 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 355 4.774 -8.724 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 355 3.369 -5.239 -2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 355 2.145 -5.568 -4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 355 2.016 -6.343 -2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 355 5.999 -7.220 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 355 6.101 -6.614 -3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 355 4.981 -5.854 -1.981 1.00 0.00 H new ATOM 662 N TYR A 356 0.438 -7.840 -3.463 1.00 0.00 N ATOM 663 CA TYR A 356 -0.653 -8.142 -2.492 1.00 0.00 C ATOM 664 C TYR A 356 -1.538 -9.264 -3.038 1.00 0.00 C ATOM 665 O TYR A 356 -2.048 -10.080 -2.295 1.00 0.00 O ATOM 666 CB TYR A 356 -1.496 -6.892 -2.242 1.00 0.00 C ATOM 667 CG TYR A 356 -1.715 -6.157 -3.536 1.00 0.00 C ATOM 668 CD1 TYR A 356 -2.821 -6.459 -4.334 1.00 0.00 C ATOM 669 CD2 TYR A 356 -0.810 -5.170 -3.934 1.00 0.00 C ATOM 670 CE1 TYR A 356 -3.025 -5.772 -5.535 1.00 0.00 C ATOM 671 CE2 TYR A 356 -1.011 -4.482 -5.134 1.00 0.00 C ATOM 672 CZ TYR A 356 -2.119 -4.782 -5.935 1.00 0.00 C ATOM 673 OH TYR A 356 -2.315 -4.103 -7.119 1.00 0.00 O ATOM 0 H TYR A 356 0.267 -7.050 -4.085 1.00 0.00 H new ATOM 0 HA TYR A 356 -0.208 -8.462 -1.550 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -2.455 -7.170 -1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -0.995 -6.242 -1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -3.518 -7.223 -4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 356 0.044 -4.939 -3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -3.880 -6.005 -6.153 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -0.312 -3.719 -5.443 1.00 0.00 H new ATOM 0 HH TYR A 356 -2.509 -4.743 -7.835 1.00 0.00 H new ATOM 683 N CYS A 357 -1.722 -9.323 -4.329 1.00 0.00 N ATOM 684 CA CYS A 357 -2.566 -10.400 -4.909 1.00 0.00 C ATOM 685 C CYS A 357 -1.788 -11.715 -4.867 1.00 0.00 C ATOM 686 O CYS A 357 -2.231 -12.702 -4.315 1.00 0.00 O ATOM 687 CB CYS A 357 -2.904 -10.053 -6.361 1.00 0.00 C ATOM 688 SG CYS A 357 -4.033 -8.636 -6.416 1.00 0.00 S ATOM 0 H CYS A 357 -1.324 -8.671 -5.005 1.00 0.00 H new ATOM 0 HA CYS A 357 -3.489 -10.498 -4.337 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -1.991 -9.822 -6.910 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -3.362 -10.912 -6.851 1.00 0.00 H new ATOM 693 N LEU A 358 -0.623 -11.724 -5.449 1.00 0.00 N ATOM 694 CA LEU A 358 0.216 -12.954 -5.458 1.00 0.00 C ATOM 695 C LEU A 358 0.729 -13.255 -4.052 1.00 0.00 C ATOM 696 O LEU A 358 0.853 -14.396 -3.655 1.00 0.00 O ATOM 697 CB LEU A 358 1.408 -12.724 -6.382 1.00 0.00 C ATOM 698 CG LEU A 358 0.933 -12.687 -7.835 1.00 0.00 C ATOM 699 CD1 LEU A 358 2.075 -12.214 -8.736 1.00 0.00 C ATOM 700 CD2 LEU A 358 0.486 -14.086 -8.274 1.00 0.00 C ATOM 0 H LEU A 358 -0.211 -10.921 -5.925 1.00 0.00 H new ATOM 0 HA LEU A 358 -0.382 -13.796 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 358 1.903 -11.787 -6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 358 2.142 -13.519 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 358 0.092 -11.998 -7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 358 1.735 -12.188 -9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 358 2.389 -11.215 -8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 358 2.917 -12.901 -8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 358 0.149 -14.052 -9.310 1.00 0.00 H new ATOM 0 HD22 LEU A 358 1.323 -14.779 -8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 358 -0.332 -14.423 -7.637 1.00 0.00 H new ATOM 712 N ASP A 359 1.051 -12.239 -3.308 1.00 0.00 N ATOM 713 CA ASP A 359 1.582 -12.453 -1.934 1.00 0.00 C ATOM 714 C ASP A 359 2.886 -13.255 -2.020 1.00 0.00 C ATOM 715 O ASP A 359 3.002 -14.325 -1.457 1.00 0.00 O ATOM 716 CB ASP A 359 0.558 -13.228 -1.101 1.00 0.00 C ATOM 717 CG ASP A 359 0.914 -13.113 0.382 1.00 0.00 C ATOM 718 OD1 ASP A 359 2.043 -12.757 0.674 1.00 0.00 O ATOM 719 OD2 ASP A 359 0.050 -13.384 1.201 1.00 0.00 O ATOM 0 H ASP A 359 0.969 -11.263 -3.592 1.00 0.00 H new ATOM 0 HA ASP A 359 1.773 -11.490 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 359 -0.443 -12.834 -1.277 1.00 0.00 H new ATOM 0 HB3 ASP A 359 0.546 -14.275 -1.403 1.00 0.00 H new ATOM 724 N PRO A 360 3.859 -12.732 -2.722 1.00 0.00 N ATOM 725 CA PRO A 360 5.184 -13.397 -2.893 1.00 0.00 C ATOM 726 C PRO A 360 6.089 -13.207 -1.669 1.00 0.00 C ATOM 727 O PRO A 360 5.842 -12.354 -0.839 1.00 0.00 O ATOM 728 CB PRO A 360 5.778 -12.686 -4.107 1.00 0.00 C ATOM 729 CG PRO A 360 5.192 -11.316 -4.076 1.00 0.00 C ATOM 730 CD PRO A 360 3.806 -11.445 -3.435 1.00 0.00 C ATOM 0 HA PRO A 360 5.089 -14.476 -3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 360 6.866 -12.651 -4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 360 5.523 -13.204 -5.032 1.00 0.00 H new ATOM 0 HG2 PRO A 360 5.823 -10.638 -3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 360 5.116 -10.904 -5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 360 3.604 -10.619 -2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 360 3.017 -11.438 -4.187 1.00 0.00 H new ATOM 738 N PRO A 361 7.135 -13.987 -1.560 1.00 0.00 N ATOM 739 CA PRO A 361 8.087 -13.887 -0.419 1.00 0.00 C ATOM 740 C PRO A 361 8.522 -12.442 -0.144 1.00 0.00 C ATOM 741 O PRO A 361 8.967 -12.118 0.940 1.00 0.00 O ATOM 742 CB PRO A 361 9.290 -14.717 -0.867 1.00 0.00 C ATOM 743 CG PRO A 361 8.771 -15.679 -1.883 1.00 0.00 C ATOM 744 CD PRO A 361 7.519 -15.054 -2.502 1.00 0.00 C ATOM 0 HA PRO A 361 7.633 -14.237 0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 361 10.066 -14.081 -1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 361 9.737 -15.244 -0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 361 9.523 -15.873 -2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 361 8.534 -16.637 -1.420 1.00 0.00 H new ATOM 0 HD2 PRO A 361 7.725 -14.652 -3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 361 6.722 -15.789 -2.615 1.00 0.00 H new ATOM 752 N LEU A 362 8.403 -11.570 -1.110 1.00 0.00 N ATOM 753 CA LEU A 362 8.819 -10.156 -0.878 1.00 0.00 C ATOM 754 C LEU A 362 8.149 -9.631 0.391 1.00 0.00 C ATOM 755 O LEU A 362 8.807 -9.123 1.277 1.00 0.00 O ATOM 756 CB LEU A 362 8.385 -9.283 -2.061 1.00 0.00 C ATOM 757 CG LEU A 362 9.064 -9.757 -3.347 1.00 0.00 C ATOM 758 CD1 LEU A 362 8.660 -8.836 -4.500 1.00 0.00 C ATOM 759 CD2 LEU A 362 10.584 -9.705 -3.171 1.00 0.00 C ATOM 0 H LEU A 362 8.039 -11.773 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 362 9.903 -10.118 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 362 7.302 -9.327 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 362 8.643 -8.242 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 362 8.756 -10.780 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 362 9.142 -9.170 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 362 7.578 -8.865 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 362 8.972 -7.816 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 362 11.068 -10.043 -4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 362 10.890 -8.682 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 362 10.877 -10.354 -2.345 1.00 0.00 H new ATOM 771 N SER A 363 6.847 -9.767 0.480 1.00 0.00 N ATOM 772 CA SER A 363 6.102 -9.289 1.686 1.00 0.00 C ATOM 773 C SER A 363 6.811 -8.082 2.308 1.00 0.00 C ATOM 774 O SER A 363 6.825 -7.915 3.512 1.00 0.00 O ATOM 775 CB SER A 363 6.030 -10.418 2.714 1.00 0.00 C ATOM 776 OG SER A 363 7.259 -10.485 3.424 1.00 0.00 O ATOM 0 H SER A 363 6.264 -10.194 -0.240 1.00 0.00 H new ATOM 0 HA SER A 363 5.097 -8.992 1.386 1.00 0.00 H new ATOM 0 HB2 SER A 363 5.206 -10.243 3.406 1.00 0.00 H new ATOM 0 HB3 SER A 363 5.832 -11.367 2.216 1.00 0.00 H new ATOM 0 HG SER A 363 7.340 -9.705 4.012 1.00 0.00 H new ATOM 782 N SER A 364 7.408 -7.245 1.497 1.00 0.00 N ATOM 783 CA SER A 364 8.124 -6.056 2.041 1.00 0.00 C ATOM 784 C SER A 364 7.591 -4.780 1.389 1.00 0.00 C ATOM 785 O SER A 364 7.188 -4.780 0.242 1.00 0.00 O ATOM 786 CB SER A 364 9.620 -6.189 1.749 1.00 0.00 C ATOM 787 OG SER A 364 10.109 -7.389 2.334 1.00 0.00 O ATOM 0 H SER A 364 7.429 -7.336 0.481 1.00 0.00 H new ATOM 0 HA SER A 364 7.961 -6.001 3.117 1.00 0.00 H new ATOM 0 HB2 SER A 364 9.792 -6.199 0.673 1.00 0.00 H new ATOM 0 HB3 SER A 364 10.158 -5.330 2.150 1.00 0.00 H new ATOM 0 HG SER A 364 9.894 -8.148 1.752 1.00 0.00 H new ATOM 793 N VAL A 365 7.591 -3.692 2.114 1.00 0.00 N ATOM 794 CA VAL A 365 7.092 -2.409 1.548 1.00 0.00 C ATOM 795 C VAL A 365 8.254 -1.402 1.469 1.00 0.00 C ATOM 796 O VAL A 365 8.753 -0.959 2.484 1.00 0.00 O ATOM 797 CB VAL A 365 6.003 -1.847 2.464 1.00 0.00 C ATOM 798 CG1 VAL A 365 4.676 -2.550 2.172 1.00 0.00 C ATOM 799 CG2 VAL A 365 6.394 -2.086 3.924 1.00 0.00 C ATOM 0 H VAL A 365 7.918 -3.639 3.079 1.00 0.00 H new ATOM 0 HA VAL A 365 6.686 -2.580 0.551 1.00 0.00 H new ATOM 0 HB VAL A 365 5.894 -0.777 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 365 3.901 -2.149 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 365 4.397 -2.383 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 365 4.784 -3.620 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 365 5.619 -1.686 4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 365 6.502 -3.156 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 365 7.340 -1.586 4.134 1.00 0.00 H new ATOM 809 N PRO A 366 8.690 -1.035 0.282 1.00 0.00 N ATOM 810 CA PRO A 366 9.808 -0.066 0.109 1.00 0.00 C ATOM 811 C PRO A 366 9.354 1.386 0.299 1.00 0.00 C ATOM 812 O PRO A 366 10.085 2.316 0.021 1.00 0.00 O ATOM 813 CB PRO A 366 10.270 -0.299 -1.328 1.00 0.00 C ATOM 814 CG PRO A 366 9.070 -0.809 -2.054 1.00 0.00 C ATOM 815 CD PRO A 366 8.173 -1.496 -1.019 1.00 0.00 C ATOM 0 HA PRO A 366 10.594 -0.218 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 366 10.638 0.624 -1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 366 11.087 -1.019 -1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 366 8.539 0.009 -2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 366 9.362 -1.510 -2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 366 7.128 -1.217 -1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 366 8.227 -2.581 -1.105 1.00 0.00 H new ATOM 823 N SER A 367 8.152 1.586 0.764 1.00 0.00 N ATOM 824 CA SER A 367 7.646 2.971 0.965 1.00 0.00 C ATOM 825 C SER A 367 8.542 3.711 1.961 1.00 0.00 C ATOM 826 O SER A 367 8.543 4.925 2.021 1.00 0.00 O ATOM 827 CB SER A 367 6.220 2.914 1.506 1.00 0.00 C ATOM 828 OG SER A 367 6.241 2.392 2.828 1.00 0.00 O ATOM 0 H SER A 367 7.496 0.846 1.014 1.00 0.00 H new ATOM 0 HA SER A 367 7.656 3.501 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 367 5.777 3.910 1.503 1.00 0.00 H new ATOM 0 HB3 SER A 367 5.600 2.287 0.865 1.00 0.00 H new ATOM 0 HG SER A 367 5.327 2.358 3.181 1.00 0.00 H new ATOM 834 N GLU A 368 9.307 2.999 2.743 1.00 0.00 N ATOM 835 CA GLU A 368 10.197 3.682 3.726 1.00 0.00 C ATOM 836 C GLU A 368 10.932 4.819 3.015 1.00 0.00 C ATOM 837 O GLU A 368 11.172 5.868 3.578 1.00 0.00 O ATOM 838 CB GLU A 368 11.216 2.681 4.277 1.00 0.00 C ATOM 839 CG GLU A 368 12.046 3.346 5.377 1.00 0.00 C ATOM 840 CD GLU A 368 13.132 2.380 5.852 1.00 0.00 C ATOM 841 OE1 GLU A 368 13.200 1.285 5.316 1.00 0.00 O ATOM 842 OE2 GLU A 368 13.879 2.750 6.743 1.00 0.00 O ATOM 0 H GLU A 368 9.355 1.980 2.745 1.00 0.00 H new ATOM 0 HA GLU A 368 9.604 4.079 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.703 1.805 4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 368 11.868 2.332 3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 368 12.499 4.263 5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 368 11.404 3.627 6.212 1.00 0.00 H new ATOM 849 N ASP A 369 11.277 4.618 1.773 1.00 0.00 N ATOM 850 CA ASP A 369 11.979 5.679 1.006 1.00 0.00 C ATOM 851 C ASP A 369 11.380 5.739 -0.398 1.00 0.00 C ATOM 852 O ASP A 369 10.605 4.886 -0.782 1.00 0.00 O ATOM 853 CB ASP A 369 13.470 5.350 0.910 1.00 0.00 C ATOM 854 CG ASP A 369 14.085 5.342 2.312 1.00 0.00 C ATOM 855 OD1 ASP A 369 13.457 5.865 3.217 1.00 0.00 O ATOM 856 OD2 ASP A 369 15.174 4.810 2.456 1.00 0.00 O ATOM 0 H ASP A 369 11.100 3.757 1.255 1.00 0.00 H new ATOM 0 HA ASP A 369 11.860 6.639 1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 369 13.609 4.379 0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 369 13.976 6.085 0.284 1.00 0.00 H new ATOM 861 N GLU A 370 11.725 6.729 -1.171 1.00 0.00 N ATOM 862 CA GLU A 370 11.159 6.811 -2.546 1.00 0.00 C ATOM 863 C GLU A 370 11.475 5.511 -3.284 1.00 0.00 C ATOM 864 O GLU A 370 12.576 5.000 -3.208 1.00 0.00 O ATOM 865 CB GLU A 370 11.787 7.990 -3.292 1.00 0.00 C ATOM 866 CG GLU A 370 11.422 9.297 -2.585 1.00 0.00 C ATOM 867 CD GLU A 370 11.992 10.480 -3.370 1.00 0.00 C ATOM 868 OE1 GLU A 370 12.757 10.242 -4.289 1.00 0.00 O ATOM 869 OE2 GLU A 370 11.653 11.604 -3.037 1.00 0.00 O ATOM 0 H GLU A 370 12.368 7.478 -0.915 1.00 0.00 H new ATOM 0 HA GLU A 370 10.080 6.957 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 370 12.870 7.875 -3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 370 11.433 8.011 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 370 10.339 9.389 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 370 11.818 9.296 -1.570 1.00 0.00 H new ATOM 876 N TRP A 371 10.520 4.967 -3.996 1.00 0.00 N ATOM 877 CA TRP A 371 10.772 3.695 -4.734 1.00 0.00 C ATOM 878 C TRP A 371 10.447 3.882 -6.211 1.00 0.00 C ATOM 879 O TRP A 371 9.506 4.563 -6.569 1.00 0.00 O ATOM 880 CB TRP A 371 9.899 2.575 -4.163 1.00 0.00 C ATOM 881 CG TRP A 371 10.294 1.264 -4.777 1.00 0.00 C ATOM 882 CD1 TRP A 371 11.560 0.795 -4.869 1.00 0.00 C ATOM 883 CD2 TRP A 371 9.443 0.247 -5.382 1.00 0.00 C ATOM 884 NE1 TRP A 371 11.539 -0.443 -5.483 1.00 0.00 N ATOM 885 CE2 TRP A 371 10.258 -0.825 -5.818 1.00 0.00 C ATOM 886 CE3 TRP A 371 8.058 0.149 -5.589 1.00 0.00 C ATOM 887 CZ2 TRP A 371 9.719 -1.951 -6.437 1.00 0.00 C ATOM 888 CZ3 TRP A 371 7.511 -0.985 -6.212 1.00 0.00 C ATOM 889 CH2 TRP A 371 8.340 -2.033 -6.634 1.00 0.00 C ATOM 0 H TRP A 371 9.580 5.349 -4.097 1.00 0.00 H new ATOM 0 HA TRP A 371 11.822 3.426 -4.622 1.00 0.00 H new ATOM 0 HB2 TRP A 371 10.012 2.529 -3.080 1.00 0.00 H new ATOM 0 HB3 TRP A 371 8.848 2.781 -4.366 1.00 0.00 H new ATOM 0 HD1 TRP A 371 12.445 1.306 -4.519 1.00 0.00 H new ATOM 0 HE1 TRP A 371 12.370 -1.005 -5.666 1.00 0.00 H new ATOM 0 HE3 TRP A 371 7.409 0.950 -5.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 10.364 -2.754 -6.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 6.444 -1.050 -6.367 1.00 0.00 H new ATOM 0 HH2 TRP A 371 7.912 -2.903 -7.111 1.00 0.00 H new ATOM 900 N TYR A 372 11.222 3.282 -7.069 1.00 0.00 N ATOM 901 CA TYR A 372 10.970 3.415 -8.527 1.00 0.00 C ATOM 902 C TYR A 372 10.647 2.037 -9.108 1.00 0.00 C ATOM 903 O TYR A 372 11.280 1.053 -8.780 1.00 0.00 O ATOM 904 CB TYR A 372 12.225 3.967 -9.197 1.00 0.00 C ATOM 905 CG TYR A 372 12.798 5.081 -8.354 1.00 0.00 C ATOM 906 CD1 TYR A 372 12.053 6.245 -8.128 1.00 0.00 C ATOM 907 CD2 TYR A 372 14.072 4.946 -7.793 1.00 0.00 C ATOM 908 CE1 TYR A 372 12.586 7.276 -7.343 1.00 0.00 C ATOM 909 CE2 TYR A 372 14.606 5.975 -7.009 1.00 0.00 C ATOM 910 CZ TYR A 372 13.862 7.139 -6.783 1.00 0.00 C ATOM 911 OH TYR A 372 14.388 8.154 -6.009 1.00 0.00 O ATOM 0 H TYR A 372 12.023 2.702 -6.820 1.00 0.00 H new ATOM 0 HA TYR A 372 10.132 4.090 -8.702 1.00 0.00 H new ATOM 0 HB2 TYR A 372 12.963 3.174 -9.321 1.00 0.00 H new ATOM 0 HB3 TYR A 372 11.985 4.337 -10.194 1.00 0.00 H new ATOM 0 HD1 TYR A 372 11.068 6.348 -8.559 1.00 0.00 H new ATOM 0 HD2 TYR A 372 14.644 4.047 -7.965 1.00 0.00 H new ATOM 0 HE1 TYR A 372 12.013 8.175 -7.170 1.00 0.00 H new ATOM 0 HE2 TYR A 372 15.591 5.871 -6.579 1.00 0.00 H new ATOM 0 HH TYR A 372 13.661 8.633 -5.560 1.00 0.00 H new ATOM 921 N CYS A 373 9.666 1.952 -9.965 1.00 0.00 N ATOM 922 CA CYS A 373 9.312 0.636 -10.558 1.00 0.00 C ATOM 923 C CYS A 373 10.464 0.161 -11.454 1.00 0.00 C ATOM 924 O CYS A 373 11.215 0.963 -11.971 1.00 0.00 O ATOM 925 CB CYS A 373 8.032 0.784 -11.383 1.00 0.00 C ATOM 926 SG CYS A 373 8.250 2.080 -12.622 1.00 0.00 S ATOM 0 H CYS A 373 9.096 2.738 -10.278 1.00 0.00 H new ATOM 0 HA CYS A 373 9.146 -0.097 -9.769 1.00 0.00 H new ATOM 0 HB2 CYS A 373 7.791 -0.161 -11.870 1.00 0.00 H new ATOM 0 HB3 CYS A 373 7.194 1.029 -10.730 1.00 0.00 H new ATOM 931 N PRO A 374 10.616 -1.128 -11.639 1.00 0.00 N ATOM 932 CA PRO A 374 11.711 -1.680 -12.489 1.00 0.00 C ATOM 933 C PRO A 374 11.849 -0.948 -13.831 1.00 0.00 C ATOM 934 O PRO A 374 12.939 -0.773 -14.337 1.00 0.00 O ATOM 935 CB PRO A 374 11.294 -3.131 -12.725 1.00 0.00 C ATOM 936 CG PRO A 374 10.422 -3.495 -11.569 1.00 0.00 C ATOM 937 CD PRO A 374 9.780 -2.200 -11.061 1.00 0.00 C ATOM 0 HA PRO A 374 12.681 -1.571 -12.003 1.00 0.00 H new ATOM 0 HB2 PRO A 374 10.757 -3.236 -13.668 1.00 0.00 H new ATOM 0 HB3 PRO A 374 12.165 -3.785 -12.779 1.00 0.00 H new ATOM 0 HG2 PRO A 374 9.658 -4.210 -11.874 1.00 0.00 H new ATOM 0 HG3 PRO A 374 11.006 -3.970 -10.781 1.00 0.00 H new ATOM 0 HD2 PRO A 374 8.743 -2.115 -11.387 1.00 0.00 H new ATOM 0 HD3 PRO A 374 9.776 -2.158 -9.972 1.00 0.00 H new ATOM 945 N GLU A 375 10.761 -0.519 -14.415 1.00 0.00 N ATOM 946 CA GLU A 375 10.861 0.193 -15.722 1.00 0.00 C ATOM 947 C GLU A 375 11.427 1.603 -15.518 1.00 0.00 C ATOM 948 O GLU A 375 12.140 2.116 -16.357 1.00 0.00 O ATOM 949 CB GLU A 375 9.485 0.283 -16.373 1.00 0.00 C ATOM 950 CG GLU A 375 8.534 0.946 -15.395 1.00 0.00 C ATOM 951 CD GLU A 375 7.152 1.096 -16.034 1.00 0.00 C ATOM 952 OE1 GLU A 375 7.005 0.701 -17.179 1.00 0.00 O ATOM 953 OE2 GLU A 375 6.266 1.605 -15.368 1.00 0.00 O ATOM 0 H GLU A 375 9.816 -0.630 -14.047 1.00 0.00 H new ATOM 0 HA GLU A 375 11.532 -0.368 -16.373 1.00 0.00 H new ATOM 0 HB2 GLU A 375 9.540 0.858 -17.297 1.00 0.00 H new ATOM 0 HB3 GLU A 375 9.125 -0.711 -16.637 1.00 0.00 H new ATOM 0 HG2 GLU A 375 8.461 0.351 -14.485 1.00 0.00 H new ATOM 0 HG3 GLU A 375 8.919 1.924 -15.106 1.00 0.00 H new ATOM 960 N CYS A 376 11.128 2.236 -14.413 1.00 0.00 N ATOM 961 CA CYS A 376 11.675 3.607 -14.184 1.00 0.00 C ATOM 962 C CYS A 376 13.194 3.549 -14.323 1.00 0.00 C ATOM 963 O CYS A 376 13.810 4.369 -14.975 1.00 0.00 O ATOM 964 CB CYS A 376 11.344 4.081 -12.763 1.00 0.00 C ATOM 965 SG CYS A 376 9.941 5.229 -12.777 1.00 0.00 S ATOM 0 H CYS A 376 10.536 1.869 -13.668 1.00 0.00 H new ATOM 0 HA CYS A 376 11.236 4.294 -14.908 1.00 0.00 H new ATOM 0 HB2 CYS A 376 11.111 3.222 -12.134 1.00 0.00 H new ATOM 0 HB3 CYS A 376 12.215 4.569 -12.326 1.00 0.00 H new ATOM 970 N ARG A 377 13.794 2.580 -13.695 1.00 0.00 N ATOM 971 CA ARG A 377 15.275 2.434 -13.751 1.00 0.00 C ATOM 972 C ARG A 377 15.715 2.072 -15.165 1.00 0.00 C ATOM 973 O ARG A 377 16.836 2.325 -15.560 1.00 0.00 O ATOM 974 CB ARG A 377 15.688 1.326 -12.797 1.00 0.00 C ATOM 975 CG ARG A 377 15.192 1.669 -11.397 1.00 0.00 C ATOM 976 CD ARG A 377 15.685 0.608 -10.426 1.00 0.00 C ATOM 977 NE ARG A 377 15.080 0.836 -9.085 1.00 0.00 N ATOM 978 CZ ARG A 377 13.891 0.369 -8.817 1.00 0.00 C ATOM 979 NH1 ARG A 377 13.228 -0.288 -9.730 1.00 0.00 N ATOM 980 NH2 ARG A 377 13.365 0.561 -7.639 1.00 0.00 N ATOM 0 H ARG A 377 13.316 1.873 -13.137 1.00 0.00 H new ATOM 0 HA ARG A 377 15.745 3.375 -13.467 1.00 0.00 H new ATOM 0 HB2 ARG A 377 15.270 0.373 -13.122 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.772 1.214 -12.796 1.00 0.00 H new ATOM 0 HG2 ARG A 377 15.557 2.652 -11.098 1.00 0.00 H new ATOM 0 HG3 ARG A 377 14.103 1.715 -11.384 1.00 0.00 H new ATOM 0 HD2 ARG A 377 15.420 -0.384 -10.791 1.00 0.00 H new ATOM 0 HD3 ARG A 377 16.772 0.642 -10.356 1.00 0.00 H new ATOM 0 HE ARG A 377 15.595 1.357 -8.375 1.00 0.00 H new ATOM 0 HH11 ARG A 377 13.639 -0.436 -10.652 1.00 0.00 H new ATOM 0 HH12 ARG A 377 12.299 -0.653 -9.522 1.00 0.00 H new ATOM 0 HH21 ARG A 377 13.883 1.076 -6.927 1.00 0.00 H new ATOM 0 HH22 ARG A 377 12.436 0.196 -7.430 1.00 0.00 H new ATOM 994 N ASN A 378 14.845 1.486 -15.936 1.00 0.00 N ATOM 995 CA ASN A 378 15.226 1.119 -17.324 1.00 0.00 C ATOM 996 C ASN A 378 15.344 2.402 -18.136 1.00 0.00 C ATOM 997 O ASN A 378 15.454 2.383 -19.346 1.00 0.00 O ATOM 998 CB ASN A 378 14.152 0.215 -17.934 1.00 0.00 C ATOM 999 CG ASN A 378 14.067 -1.087 -17.137 1.00 0.00 C ATOM 1000 OD1 ASN A 378 14.940 -1.388 -16.347 1.00 0.00 O ATOM 1001 ND2 ASN A 378 13.046 -1.881 -17.312 1.00 0.00 N ATOM 0 H ASN A 378 13.891 1.246 -15.666 1.00 0.00 H new ATOM 0 HA ASN A 378 16.174 0.582 -17.327 1.00 0.00 H new ATOM 0 HB2 ASN A 378 13.187 0.722 -17.926 1.00 0.00 H new ATOM 0 HB3 ASN A 378 14.391 0.001 -18.976 1.00 0.00 H new ATOM 0 HD21 ASN A 378 12.982 -2.753 -16.786 1.00 0.00 H new ATOM 0 HD22 ASN A 378 12.312 -1.630 -17.975 1.00 0.00 H new ATOM 1008 N ASP A 379 15.326 3.522 -17.468 1.00 0.00 N ATOM 1009 CA ASP A 379 15.440 4.821 -18.187 1.00 0.00 C ATOM 1010 C ASP A 379 16.687 4.805 -19.074 1.00 0.00 C ATOM 1011 O ASP A 379 17.610 4.075 -18.750 1.00 0.00 O ATOM 1012 CB ASP A 379 15.550 5.961 -17.172 1.00 0.00 C ATOM 1013 CG ASP A 379 15.552 7.300 -17.909 1.00 0.00 C ATOM 1014 OD1 ASP A 379 15.371 7.290 -19.116 1.00 0.00 O ATOM 1015 OD2 ASP A 379 15.732 8.315 -17.256 1.00 0.00 O ATOM 1016 OXT ASP A 379 16.696 5.521 -20.061 1.00 0.00 O ATOM 0 H ASP A 379 15.237 3.593 -16.454 1.00 0.00 H new ATOM 0 HA ASP A 379 14.555 4.972 -18.806 1.00 0.00 H new ATOM 0 HB2 ASP A 379 14.716 5.920 -16.471 1.00 0.00 H new ATOM 0 HB3 ASP A 379 16.463 5.854 -16.587 1.00 0.00 H new TER 1021 ASP A 379 ATOM 1022 N ALA B 383 7.798 5.997 -0.054 1.00 0.00 N ATOM 1023 CA ALA B 383 7.397 6.388 -1.434 1.00 0.00 C ATOM 1024 C ALA B 383 5.880 6.580 -1.490 1.00 0.00 C ATOM 1025 O ALA B 383 5.268 7.040 -0.548 1.00 0.00 O ATOM 1026 CB ALA B 383 7.805 5.288 -2.416 1.00 0.00 C ATOM 0 HA ALA B 383 7.893 7.320 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA B 383 7.511 5.575 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA B 383 8.885 5.149 -2.378 1.00 0.00 H new ATOM 0 HB3 ALA B 383 7.309 4.356 -2.145 1.00 0.00 H new ATOM 1034 N ARG B 384 5.273 6.231 -2.590 1.00 0.00 N ATOM 1035 CA ARG B 384 3.798 6.393 -2.710 1.00 0.00 C ATOM 1036 C ARG B 384 3.113 5.051 -2.435 1.00 0.00 C ATOM 1037 O ARG B 384 2.747 4.334 -3.345 1.00 0.00 O ATOM 1038 CB ARG B 384 3.456 6.859 -4.126 1.00 0.00 C ATOM 1039 CG ARG B 384 1.961 7.158 -4.211 1.00 0.00 C ATOM 1040 CD ARG B 384 1.584 7.495 -5.655 1.00 0.00 C ATOM 1041 NE ARG B 384 2.328 8.709 -6.094 1.00 0.00 N ATOM 1042 CZ ARG B 384 2.201 9.145 -7.318 1.00 0.00 C ATOM 1043 NH1 ARG B 384 1.424 8.515 -8.157 1.00 0.00 N ATOM 1044 NH2 ARG B 384 2.849 10.210 -7.702 1.00 0.00 N ATOM 0 H ARG B 384 5.735 5.840 -3.411 1.00 0.00 H new ATOM 0 HA ARG B 384 3.451 7.131 -1.987 1.00 0.00 H new ATOM 0 HB2 ARG B 384 4.032 7.750 -4.377 1.00 0.00 H new ATOM 0 HB3 ARG B 384 3.727 6.090 -4.850 1.00 0.00 H new ATOM 0 HG2 ARG B 384 1.388 6.297 -3.867 1.00 0.00 H new ATOM 0 HG3 ARG B 384 1.709 7.991 -3.555 1.00 0.00 H new ATOM 0 HD2 ARG B 384 1.820 6.655 -6.309 1.00 0.00 H new ATOM 0 HD3 ARG B 384 0.510 7.667 -5.731 1.00 0.00 H new ATOM 0 HE ARG B 384 2.936 9.199 -5.438 1.00 0.00 H new ATOM 0 HH11 ARG B 384 0.917 7.683 -7.856 1.00 0.00 H new ATOM 0 HH12 ARG B 384 1.324 8.855 -9.113 1.00 0.00 H new ATOM 0 HH21 ARG B 384 3.455 10.702 -7.046 1.00 0.00 H new ATOM 0 HH22 ARG B 384 2.750 10.550 -8.658 1.00 0.00 H new ATOM 1058 N THR B 385 2.944 4.704 -1.189 1.00 0.00 N ATOM 1059 CA THR B 385 2.290 3.406 -0.855 1.00 0.00 C ATOM 1060 C THR B 385 0.849 3.393 -1.368 1.00 0.00 C ATOM 1061 O THR B 385 0.383 2.411 -1.913 1.00 0.00 O ATOM 1062 CB THR B 385 2.283 3.216 0.662 1.00 0.00 C ATOM 1063 OG1 THR B 385 3.606 3.342 1.162 1.00 0.00 O ATOM 1064 CG2 THR B 385 1.737 1.828 1.001 1.00 0.00 C ATOM 0 H THR B 385 3.231 5.264 -0.386 1.00 0.00 H new ATOM 0 HA THR B 385 2.847 2.598 -1.329 1.00 0.00 H new ATOM 0 HB THR B 385 1.649 3.976 1.120 1.00 0.00 H new ATOM 0 HG1 THR B 385 3.832 4.291 1.253 1.00 0.00 H new ATOM 0 HG21 THR B 385 1.732 1.693 2.083 1.00 0.00 H new ATOM 0 HG22 THR B 385 0.720 1.734 0.619 1.00 0.00 H new ATOM 0 HG23 THR B 385 2.369 1.067 0.543 1.00 0.00 H new ATOM 1072 N LYS B 386 0.134 4.466 -1.181 1.00 0.00 N ATOM 1073 CA LYS B 386 -1.283 4.506 -1.639 1.00 0.00 C ATOM 1074 C LYS B 386 -1.968 3.225 -1.171 1.00 0.00 C ATOM 1075 O LYS B 386 -2.149 2.293 -1.926 1.00 0.00 O ATOM 1076 CB LYS B 386 -1.346 4.596 -3.166 1.00 0.00 C ATOM 1077 CG LYS B 386 -2.729 5.102 -3.587 1.00 0.00 C ATOM 1078 CD LYS B 386 -2.846 5.074 -5.112 1.00 0.00 C ATOM 1079 CE LYS B 386 -4.110 5.822 -5.540 1.00 0.00 C ATOM 1080 NZ LYS B 386 -5.314 5.028 -5.158 1.00 0.00 N ATOM 0 H LYS B 386 0.469 5.318 -0.731 1.00 0.00 H new ATOM 0 HA LYS B 386 -1.783 5.381 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -0.572 5.270 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -1.154 3.618 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -3.506 4.480 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -2.883 6.116 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -1.967 5.535 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -2.883 4.044 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -4.143 6.803 -5.065 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -4.099 5.989 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -6.167 5.486 -5.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -5.234 4.067 -5.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -5.381 4.977 -4.121 1.00 0.00 H new ATOM 1094 N GLN B 387 -2.325 3.163 0.081 1.00 0.00 N ATOM 1095 CA GLN B 387 -2.975 1.935 0.612 1.00 0.00 C ATOM 1096 C GLN B 387 -4.282 1.662 -0.140 1.00 0.00 C ATOM 1097 O GLN B 387 -4.713 0.535 -0.257 1.00 0.00 O ATOM 1098 CB GLN B 387 -3.265 2.113 2.102 1.00 0.00 C ATOM 1099 CG GLN B 387 -1.947 2.270 2.862 1.00 0.00 C ATOM 1100 CD GLN B 387 -2.237 2.509 4.345 1.00 0.00 C ATOM 1101 OE1 GLN B 387 -3.338 2.868 4.711 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -1.287 2.323 5.220 1.00 0.00 N ATOM 0 H GLN B 387 -2.194 3.912 0.761 1.00 0.00 H new ATOM 0 HA GLN B 387 -2.304 1.088 0.471 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -3.894 2.989 2.259 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -3.816 1.253 2.482 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -1.336 1.376 2.740 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -1.377 3.104 2.453 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -0.362 2.021 4.913 1.00 0.00 H new ATOM 0 HE22 GLN B 387 -1.469 2.479 6.211 1.00 0.00 H new ATOM 1111 N THR B 388 -4.921 2.685 -0.638 1.00 0.00 N ATOM 1112 CA THR B 388 -6.207 2.486 -1.374 1.00 0.00 C ATOM 1113 C THR B 388 -7.313 2.109 -0.384 1.00 0.00 C ATOM 1114 O THR B 388 -7.293 1.051 0.213 1.00 0.00 O ATOM 1115 CB THR B 388 -6.060 1.366 -2.415 1.00 0.00 C ATOM 1116 OG1 THR B 388 -6.338 0.113 -1.808 1.00 0.00 O ATOM 1117 CG2 THR B 388 -4.638 1.359 -2.982 1.00 0.00 C ATOM 0 H THR B 388 -4.609 3.654 -0.568 1.00 0.00 H new ATOM 0 HA THR B 388 -6.465 3.415 -1.883 1.00 0.00 H new ATOM 0 HB THR B 388 -6.765 1.541 -3.228 1.00 0.00 H new ATOM 0 HG1 THR B 388 -6.163 0.170 -0.845 1.00 0.00 H new ATOM 0 HG21 THR B 388 -4.544 0.561 -3.719 1.00 0.00 H new ATOM 0 HG22 THR B 388 -4.431 2.318 -3.457 1.00 0.00 H new ATOM 0 HG23 THR B 388 -3.925 1.192 -2.174 1.00 0.00 H new ATOM 1125 N ALA B 389 -8.281 2.968 -0.210 1.00 0.00 N ATOM 1126 CA ALA B 389 -9.393 2.664 0.735 1.00 0.00 C ATOM 1127 C ALA B 389 -10.201 1.475 0.206 1.00 0.00 C ATOM 1128 O ALA B 389 -10.235 1.215 -0.980 1.00 0.00 O ATOM 1129 CB ALA B 389 -10.306 3.887 0.858 1.00 0.00 C ATOM 0 H ALA B 389 -8.349 3.869 -0.683 1.00 0.00 H new ATOM 0 HA ALA B 389 -8.982 2.417 1.714 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -11.120 3.666 1.549 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -9.731 4.734 1.233 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -10.718 4.133 -0.121 1.00 0.00 H new ATOM 1135 N ARG B 390 -10.848 0.748 1.077 1.00 0.00 N ATOM 1136 CA ARG B 390 -11.647 -0.425 0.618 1.00 0.00 C ATOM 1137 C ARG B 390 -12.689 0.037 -0.403 1.00 0.00 C ATOM 1138 O ARG B 390 -13.407 0.991 -0.182 1.00 0.00 O ATOM 1139 CB ARG B 390 -12.366 -1.046 1.818 1.00 0.00 C ATOM 1140 CG ARG B 390 -11.339 -1.573 2.823 1.00 0.00 C ATOM 1141 CD ARG B 390 -12.068 -2.223 4.001 1.00 0.00 C ATOM 1142 NE ARG B 390 -11.086 -2.572 5.067 1.00 0.00 N ATOM 1143 CZ ARG B 390 -11.476 -3.233 6.123 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -12.725 -3.591 6.244 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -10.616 -3.537 7.056 1.00 0.00 N ATOM 0 H ARG B 390 -10.858 0.915 2.083 1.00 0.00 H new ATOM 0 HA ARG B 390 -10.985 -1.160 0.161 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -13.006 -0.303 2.294 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -13.013 -1.858 1.486 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -10.683 -2.298 2.342 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -10.708 -0.757 3.177 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -12.822 -1.542 4.396 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -12.592 -3.119 3.668 1.00 0.00 H new ATOM 0 HE ARG B 390 -10.109 -2.294 4.971 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -13.396 -3.354 5.514 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -13.030 -4.107 7.069 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -9.640 -3.258 6.960 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -10.920 -4.053 7.881 1.00 0.00 H new ATOM 1159 N LYS B 391 -12.784 -0.636 -1.519 1.00 0.00 N ATOM 1160 CA LYS B 391 -13.787 -0.238 -2.549 1.00 0.00 C ATOM 1161 C LYS B 391 -14.178 -1.462 -3.382 1.00 0.00 C ATOM 1162 O LYS B 391 -13.360 -2.041 -4.070 1.00 0.00 O ATOM 1163 CB LYS B 391 -13.193 0.834 -3.468 1.00 0.00 C ATOM 1164 CG LYS B 391 -12.957 2.123 -2.677 1.00 0.00 C ATOM 1165 CD LYS B 391 -12.524 3.237 -3.634 1.00 0.00 C ATOM 1166 CE LYS B 391 -12.204 4.501 -2.833 1.00 0.00 C ATOM 1167 NZ LYS B 391 -12.439 4.243 -1.384 1.00 0.00 N ATOM 0 H LYS B 391 -12.210 -1.444 -1.762 1.00 0.00 H new ATOM 0 HA LYS B 391 -14.670 0.164 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -12.254 0.481 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -13.869 1.027 -4.301 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -13.868 2.413 -2.153 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -12.191 1.962 -1.919 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -11.649 2.923 -4.203 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -13.316 3.441 -4.354 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -11.168 4.796 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -12.829 5.327 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -12.126 5.065 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -13.453 4.081 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -11.902 3.403 -1.089 1.00 0.00 H new ATOM 1181 N SER B 392 -15.420 -1.859 -3.331 1.00 0.00 N ATOM 1182 CA SER B 392 -15.854 -3.042 -4.125 1.00 0.00 C ATOM 1183 C SER B 392 -17.354 -2.952 -4.405 1.00 0.00 C ATOM 1184 O SER B 392 -18.046 -2.109 -3.870 1.00 0.00 O ATOM 1185 CB SER B 392 -15.554 -4.322 -3.342 1.00 0.00 C ATOM 1186 OG SER B 392 -16.439 -4.411 -2.234 1.00 0.00 O ATOM 0 H SER B 392 -16.151 -1.416 -2.775 1.00 0.00 H new ATOM 0 HA SER B 392 -15.312 -3.060 -5.071 1.00 0.00 H new ATOM 0 HB2 SER B 392 -15.671 -5.193 -3.987 1.00 0.00 H new ATOM 0 HB3 SER B 392 -14.520 -4.318 -2.997 1.00 0.00 H new ATOM 0 HG SER B 392 -16.251 -5.231 -1.731 1.00 0.00 H new ATOM 1192 N THR B 393 -17.861 -3.819 -5.237 1.00 0.00 N ATOM 1193 CA THR B 393 -19.316 -3.785 -5.549 1.00 0.00 C ATOM 1194 C THR B 393 -20.110 -4.065 -4.273 1.00 0.00 C ATOM 1195 O THR B 393 -21.296 -3.816 -4.199 1.00 0.00 O ATOM 1196 CB THR B 393 -19.637 -4.853 -6.597 1.00 0.00 C ATOM 1197 OG1 THR B 393 -19.416 -6.142 -6.040 1.00 0.00 O ATOM 1198 CG2 THR B 393 -18.732 -4.661 -7.816 1.00 0.00 C ATOM 0 H THR B 393 -17.331 -4.549 -5.714 1.00 0.00 H new ATOM 0 HA THR B 393 -19.586 -2.804 -5.939 1.00 0.00 H new ATOM 0 HB THR B 393 -20.679 -4.762 -6.902 1.00 0.00 H new ATOM 0 HG1 THR B 393 -19.623 -6.827 -6.709 1.00 0.00 H new ATOM 0 HG21 THR B 393 -18.961 -5.422 -8.562 1.00 0.00 H new ATOM 0 HG22 THR B 393 -18.901 -3.672 -8.242 1.00 0.00 H new ATOM 0 HG23 THR B 393 -17.689 -4.752 -7.513 1.00 0.00 H new ATOM 1206 N GLY B 394 -19.459 -4.578 -3.264 1.00 0.00 N ATOM 1207 CA GLY B 394 -20.172 -4.871 -1.989 1.00 0.00 C ATOM 1208 C GLY B 394 -21.003 -3.654 -1.578 1.00 0.00 C ATOM 1209 O GLY B 394 -22.190 -3.649 -1.860 1.00 0.00 O ATOM 1210 OXT GLY B 394 -20.438 -2.746 -0.990 1.00 0.00 O ATOM 0 H GLY B 394 -18.465 -4.806 -3.268 1.00 0.00 H new ATOM 0 HA2 GLY B 394 -20.818 -5.741 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY B 394 -19.454 -5.116 -1.206 1.00 0.00 H new TER 1214 GLY B 394 HETATM 1215 ZN ZN A 380 -8.444 5.946 -10.125 1.00 0.00 ZN HETATM 1216 ZN ZN A 381 -4.266 -7.889 -8.588 1.00 0.00 ZN HETATM 1217 ZN ZN A 382 8.018 4.258 -11.957 1.00 0.00 ZN