USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 365 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 298 LYS NZ :NH3+ -152:sc= -4.64! (180deg=-1.15) USER MOD Set 1.2: A 307 GLN : amide:sc= -3.4 K(o=-8,f=-0.59) USER MOD Set 2.1: A 268 HIS : no HE2:sc= -4.83! C(o=-15!,f=-21!) USER MOD Set 2.2: A 269 GLN : amide:sc= -10.8! C(o=-15!,f=-20!) USER MOD Set 2.3: A 286 ASN : amide:sc= 0.424 K(o=-15,f=-14) USER MOD Single : A 267 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 274 LYS NZ :NH3+ -106:sc= -2.48 (180deg=-5.59!) USER MOD Single : A 276 GLN : amide:sc= -3.6! K(o=-3.6!,f=-0.59) USER MOD Single : A 279 ASN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 280 LYS NZ :NH3+ -136:sc= -0.635 (180deg=-2.82!) USER MOD Single : A 281 LYS NZ :NH3+ 159:sc=-0.00215 (180deg=-0.559) USER MOD Single : A 285 SER OG : rot 82:sc= 0.738 USER MOD Single : A 288 GLN : amide:sc= -2.78! K(o=-2.8!,f=-0.47) USER MOD Single : A 289 SER OG : rot 180:sc= 0 USER MOD Single : A 290 LYS NZ :NH3+ -130:sc= 0.505 (180deg=-2.42!) USER MOD Single : A 291 CYS SG : rot 28:sc= 0.435 USER MOD Single : A 293 SER OG : rot 84:sc= -0.982 USER MOD Single : A 294 LYS NZ :NH3+ 158:sc= -0.0443 (180deg=-0.459) USER MOD Single : A 296 ASN : amide:sc= -4.74! C(o=-4.7!,f=-4.2!) USER MOD Single : A 299 HIS : no HD1:sc= -13.5! C(o=-13!,f=-18!) USER MOD Single : A 305 SER OG : rot -120:sc= -0.74 USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 0.990 5.806 -27.107 1.00 0.00 N ATOM 2 CA LYS A 267 1.980 6.436 -27.974 1.00 0.00 C ATOM 3 C LYS A 267 2.528 7.700 -27.315 1.00 0.00 C ATOM 4 O LYS A 267 3.079 7.649 -26.215 1.00 0.00 O ATOM 5 CB LYS A 267 1.342 6.787 -29.322 1.00 0.00 C ATOM 6 CG LYS A 267 2.428 7.158 -30.340 1.00 0.00 C ATOM 7 CD LYS A 267 3.002 5.885 -30.971 1.00 0.00 C ATOM 8 CE LYS A 267 3.945 6.263 -32.115 1.00 0.00 C ATOM 9 NZ LYS A 267 4.120 5.094 -33.022 1.00 0.00 N ATOM 0 HA LYS A 267 2.802 5.738 -28.137 1.00 0.00 H new ATOM 0 HB2 LYS A 267 0.762 5.941 -29.690 1.00 0.00 H new ATOM 0 HB3 LYS A 267 0.649 7.619 -29.199 1.00 0.00 H new ATOM 0 HG2 LYS A 267 2.010 7.802 -31.114 1.00 0.00 H new ATOM 0 HG3 LYS A 267 3.222 7.722 -29.850 1.00 0.00 H new ATOM 0 HD2 LYS A 267 3.538 5.304 -30.220 1.00 0.00 H new ATOM 0 HD3 LYS A 267 2.194 5.255 -31.344 1.00 0.00 H new ATOM 0 HE2 LYS A 267 3.540 7.110 -32.670 1.00 0.00 H new ATOM 0 HE3 LYS A 267 4.910 6.575 -31.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 4.761 5.351 -33.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 4.524 4.298 -32.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 3.197 4.816 -33.412 1.00 0.00 H new ATOM 23 N HIS A 268 2.368 8.834 -27.990 1.00 0.00 N ATOM 24 CA HIS A 268 2.844 10.105 -27.458 1.00 0.00 C ATOM 25 C HIS A 268 1.738 10.792 -26.664 1.00 0.00 C ATOM 26 O HIS A 268 0.558 10.659 -26.988 1.00 0.00 O ATOM 27 CB HIS A 268 3.297 11.016 -28.601 1.00 0.00 C ATOM 28 CG HIS A 268 3.825 12.307 -28.038 1.00 0.00 C ATOM 29 ND1 HIS A 268 4.979 12.362 -27.273 1.00 0.00 N ATOM 30 CD2 HIS A 268 3.367 13.599 -28.118 1.00 0.00 C ATOM 31 CE1 HIS A 268 5.174 13.647 -26.924 1.00 0.00 C ATOM 32 NE2 HIS A 268 4.220 14.443 -27.415 1.00 0.00 N ATOM 0 H HIS A 268 1.915 8.899 -28.902 1.00 0.00 H new ATOM 0 HA HIS A 268 3.689 9.911 -26.797 1.00 0.00 H new ATOM 0 HB2 HIS A 268 4.070 10.521 -29.190 1.00 0.00 H new ATOM 0 HB3 HIS A 268 2.463 11.215 -29.273 1.00 0.00 H new ATOM 0 HD1 HIS A 268 5.573 11.572 -27.020 1.00 0.00 H new ATOM 0 HD2 HIS A 268 2.479 13.912 -28.647 1.00 0.00 H new ATOM 0 HE1 HIS A 268 6.001 13.992 -26.321 1.00 0.00 H new ATOM 41 N GLN A 269 2.121 11.523 -25.622 1.00 0.00 N ATOM 42 CA GLN A 269 1.141 12.216 -24.798 1.00 0.00 C ATOM 43 C GLN A 269 0.407 13.273 -25.624 1.00 0.00 C ATOM 44 O GLN A 269 0.989 13.882 -26.521 1.00 0.00 O ATOM 45 CB GLN A 269 1.836 12.886 -23.608 1.00 0.00 C ATOM 46 CG GLN A 269 3.180 13.468 -24.056 1.00 0.00 C ATOM 47 CD GLN A 269 4.271 12.406 -23.950 1.00 0.00 C ATOM 48 OE1 GLN A 269 4.786 11.940 -24.965 1.00 0.00 O ATOM 49 NE2 GLN A 269 4.655 11.993 -22.773 1.00 0.00 N ATOM 0 H GLN A 269 3.091 11.649 -25.332 1.00 0.00 H new ATOM 0 HA GLN A 269 0.419 11.487 -24.430 1.00 0.00 H new ATOM 0 HB2 GLN A 269 1.204 13.676 -23.203 1.00 0.00 H new ATOM 0 HB3 GLN A 269 1.991 12.161 -22.809 1.00 0.00 H new ATOM 0 HG2 GLN A 269 3.107 13.824 -25.083 1.00 0.00 H new ATOM 0 HG3 GLN A 269 3.437 14.328 -23.438 1.00 0.00 H new ATOM 0 HE21 GLN A 269 4.227 12.380 -21.932 1.00 0.00 H new ATOM 0 HE22 GLN A 269 5.383 11.283 -22.694 1.00 0.00 H new ATOM 58 N PRO A 270 -0.850 13.496 -25.340 1.00 0.00 N ATOM 59 CA PRO A 270 -1.660 14.508 -26.085 1.00 0.00 C ATOM 60 C PRO A 270 -1.039 15.902 -26.013 1.00 0.00 C ATOM 61 O PRO A 270 -0.369 16.243 -25.038 1.00 0.00 O ATOM 62 CB PRO A 270 -3.028 14.471 -25.394 1.00 0.00 C ATOM 63 CG PRO A 270 -2.765 13.928 -24.032 1.00 0.00 C ATOM 64 CD PRO A 270 -1.582 12.975 -24.174 1.00 0.00 C ATOM 0 HA PRO A 270 -1.720 14.282 -27.150 1.00 0.00 H new ATOM 0 HB2 PRO A 270 -3.470 15.466 -25.342 1.00 0.00 H new ATOM 0 HB3 PRO A 270 -3.728 13.840 -25.941 1.00 0.00 H new ATOM 0 HG2 PRO A 270 -2.536 14.730 -23.331 1.00 0.00 H new ATOM 0 HG3 PRO A 270 -3.641 13.407 -23.645 1.00 0.00 H new ATOM 0 HD2 PRO A 270 -0.960 12.973 -23.279 1.00 0.00 H new ATOM 0 HD3 PRO A 270 -1.912 11.949 -24.335 1.00 0.00 H new ATOM 72 N GLY A 271 -1.263 16.698 -27.053 1.00 0.00 N ATOM 73 CA GLY A 271 -0.717 18.050 -27.100 1.00 0.00 C ATOM 74 C GLY A 271 -1.150 18.863 -25.886 1.00 0.00 C ATOM 75 O GLY A 271 -0.401 19.709 -25.395 1.00 0.00 O ATOM 0 H GLY A 271 -1.815 16.433 -27.869 1.00 0.00 H new ATOM 0 HA2 GLY A 271 0.371 18.004 -27.141 1.00 0.00 H new ATOM 0 HA3 GLY A 271 -1.049 18.547 -28.011 1.00 0.00 H new ATOM 79 N GLY A 272 -2.361 18.605 -25.407 1.00 0.00 N ATOM 80 CA GLY A 272 -2.886 19.322 -24.249 1.00 0.00 C ATOM 81 C GLY A 272 -4.380 19.578 -24.405 1.00 0.00 C ATOM 82 O GLY A 272 -5.143 19.467 -23.446 1.00 0.00 O ATOM 0 H GLY A 272 -2.995 17.909 -25.799 1.00 0.00 H new ATOM 0 HA2 GLY A 272 -2.704 18.743 -23.344 1.00 0.00 H new ATOM 0 HA3 GLY A 272 -2.360 20.270 -24.133 1.00 0.00 H new ATOM 86 N GLY A 273 -4.791 19.915 -25.622 1.00 0.00 N ATOM 87 CA GLY A 273 -6.199 20.176 -25.896 1.00 0.00 C ATOM 88 C GLY A 273 -6.993 18.877 -25.879 1.00 0.00 C ATOM 89 O GLY A 273 -8.164 18.844 -26.261 1.00 0.00 O ATOM 0 H GLY A 273 -4.175 20.013 -26.429 1.00 0.00 H new ATOM 0 HA2 GLY A 273 -6.599 20.864 -25.151 1.00 0.00 H new ATOM 0 HA3 GLY A 273 -6.303 20.661 -26.867 1.00 0.00 H new ATOM 93 N LYS A 274 -6.342 17.807 -25.437 1.00 0.00 N ATOM 94 CA LYS A 274 -6.983 16.499 -25.372 1.00 0.00 C ATOM 95 C LYS A 274 -7.292 15.985 -26.772 1.00 0.00 C ATOM 96 O LYS A 274 -8.382 15.473 -27.029 1.00 0.00 O ATOM 97 CB LYS A 274 -8.279 16.585 -24.565 1.00 0.00 C ATOM 98 CG LYS A 274 -8.706 15.178 -24.135 1.00 0.00 C ATOM 99 CD LYS A 274 -10.169 15.202 -23.685 1.00 0.00 C ATOM 100 CE LYS A 274 -10.287 15.963 -22.363 1.00 0.00 C ATOM 101 NZ LYS A 274 -10.203 17.428 -22.624 1.00 0.00 N ATOM 0 H LYS A 274 -5.373 17.819 -25.119 1.00 0.00 H new ATOM 0 HA LYS A 274 -6.297 15.808 -24.882 1.00 0.00 H new ATOM 0 HB2 LYS A 274 -8.133 17.216 -23.689 1.00 0.00 H new ATOM 0 HB3 LYS A 274 -9.063 17.048 -25.164 1.00 0.00 H new ATOM 0 HG2 LYS A 274 -8.581 14.480 -24.963 1.00 0.00 H new ATOM 0 HG3 LYS A 274 -8.070 14.826 -23.322 1.00 0.00 H new ATOM 0 HD2 LYS A 274 -10.786 15.678 -24.447 1.00 0.00 H new ATOM 0 HD3 LYS A 274 -10.540 14.184 -23.565 1.00 0.00 H new ATOM 0 HE2 LYS A 274 -11.232 15.723 -21.876 1.00 0.00 H new ATOM 0 HE3 LYS A 274 -9.492 15.658 -21.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 -9.275 17.783 -22.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 -10.322 17.607 -23.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 -10.953 17.918 -22.096 1.00 0.00 H new ATOM 115 N VAL A 275 -6.326 16.116 -27.675 1.00 0.00 N ATOM 116 CA VAL A 275 -6.516 15.649 -29.041 1.00 0.00 C ATOM 117 C VAL A 275 -6.745 14.143 -29.040 1.00 0.00 C ATOM 118 O VAL A 275 -7.533 13.621 -29.829 1.00 0.00 O ATOM 119 CB VAL A 275 -5.288 15.989 -29.889 1.00 0.00 C ATOM 120 CG1 VAL A 275 -5.406 15.308 -31.253 1.00 0.00 C ATOM 121 CG2 VAL A 275 -5.210 17.505 -30.084 1.00 0.00 C ATOM 0 H VAL A 275 -5.415 16.536 -27.488 1.00 0.00 H new ATOM 0 HA VAL A 275 -7.387 16.145 -29.469 1.00 0.00 H new ATOM 0 HB VAL A 275 -4.388 15.638 -29.384 1.00 0.00 H new ATOM 0 HG11 VAL A 275 -4.532 15.550 -31.857 1.00 0.00 H new ATOM 0 HG12 VAL A 275 -5.465 14.228 -31.117 1.00 0.00 H new ATOM 0 HG13 VAL A 275 -6.305 15.660 -31.759 1.00 0.00 H new ATOM 0 HG21 VAL A 275 -4.336 17.750 -30.688 1.00 0.00 H new ATOM 0 HG22 VAL A 275 -6.110 17.853 -30.590 1.00 0.00 H new ATOM 0 HG23 VAL A 275 -5.128 17.993 -29.113 1.00 0.00 H new ATOM 131 N GLN A 276 -6.055 13.452 -28.136 1.00 0.00 N ATOM 132 CA GLN A 276 -6.187 12.003 -28.016 1.00 0.00 C ATOM 133 C GLN A 276 -6.838 11.638 -26.685 1.00 0.00 C ATOM 134 O GLN A 276 -6.605 12.291 -25.667 1.00 0.00 O ATOM 135 CB GLN A 276 -4.806 11.345 -28.114 1.00 0.00 C ATOM 136 CG GLN A 276 -4.200 11.600 -29.512 1.00 0.00 C ATOM 137 CD GLN A 276 -2.919 12.423 -29.399 1.00 0.00 C ATOM 138 OE1 GLN A 276 -1.827 11.914 -29.650 1.00 0.00 O ATOM 139 NE2 GLN A 276 -2.992 13.672 -29.030 1.00 0.00 N ATOM 0 H GLN A 276 -5.400 13.872 -27.477 1.00 0.00 H new ATOM 0 HA GLN A 276 -6.818 11.641 -28.828 1.00 0.00 H new ATOM 0 HB2 GLN A 276 -4.147 11.746 -27.344 1.00 0.00 H new ATOM 0 HB3 GLN A 276 -4.891 10.273 -27.935 1.00 0.00 H new ATOM 0 HG2 GLN A 276 -3.986 10.649 -30.001 1.00 0.00 H new ATOM 0 HG3 GLN A 276 -4.922 12.125 -30.137 1.00 0.00 H new ATOM 0 HE21 GLN A 276 -3.899 14.090 -28.823 1.00 0.00 H new ATOM 0 HE22 GLN A 276 -2.142 14.230 -28.949 1.00 0.00 H new ATOM 148 N ILE A 277 -7.657 10.595 -26.703 1.00 0.00 N ATOM 149 CA ILE A 277 -8.344 10.146 -25.497 1.00 0.00 C ATOM 150 C ILE A 277 -7.347 9.671 -24.445 1.00 0.00 C ATOM 151 O ILE A 277 -7.673 9.593 -23.261 1.00 0.00 O ATOM 152 CB ILE A 277 -9.290 8.997 -25.842 1.00 0.00 C ATOM 153 CG1 ILE A 277 -10.258 8.759 -24.680 1.00 0.00 C ATOM 154 CG2 ILE A 277 -8.468 7.732 -26.088 1.00 0.00 C ATOM 155 CD1 ILE A 277 -11.402 7.858 -25.146 1.00 0.00 C ATOM 0 H ILE A 277 -7.862 10.044 -27.537 1.00 0.00 H new ATOM 0 HA ILE A 277 -8.907 10.988 -25.093 1.00 0.00 H new ATOM 0 HB ILE A 277 -9.860 9.248 -26.737 1.00 0.00 H new ATOM 0 HG12 ILE A 277 -9.733 8.296 -23.845 1.00 0.00 H new ATOM 0 HG13 ILE A 277 -10.653 9.709 -24.321 1.00 0.00 H new ATOM 0 HG21 ILE A 277 -9.136 6.907 -26.335 1.00 0.00 H new ATOM 0 HG22 ILE A 277 -7.779 7.901 -26.915 1.00 0.00 H new ATOM 0 HG23 ILE A 277 -7.903 7.485 -25.189 1.00 0.00 H new ATOM 0 HD11 ILE A 277 -12.091 7.688 -24.319 1.00 0.00 H new ATOM 0 HD12 ILE A 277 -11.932 8.339 -25.968 1.00 0.00 H new ATOM 0 HD13 ILE A 277 -10.999 6.903 -25.484 1.00 0.00 H new ATOM 167 N ILE A 278 -6.141 9.337 -24.887 1.00 0.00 N ATOM 168 CA ILE A 278 -5.120 8.848 -23.970 1.00 0.00 C ATOM 169 C ILE A 278 -4.738 9.924 -22.971 1.00 0.00 C ATOM 170 O ILE A 278 -4.461 11.066 -23.338 1.00 0.00 O ATOM 171 CB ILE A 278 -3.882 8.407 -24.752 1.00 0.00 C ATOM 172 CG1 ILE A 278 -4.271 7.305 -25.740 1.00 0.00 C ATOM 173 CG2 ILE A 278 -2.829 7.869 -23.781 1.00 0.00 C ATOM 174 CD1 ILE A 278 -3.066 6.953 -26.615 1.00 0.00 C ATOM 0 H ILE A 278 -5.848 9.395 -25.862 1.00 0.00 H new ATOM 0 HA ILE A 278 -5.526 7.995 -23.426 1.00 0.00 H new ATOM 0 HB ILE A 278 -3.474 9.259 -25.296 1.00 0.00 H new ATOM 0 HG12 ILE A 278 -4.612 6.422 -25.200 1.00 0.00 H new ATOM 0 HG13 ILE A 278 -5.101 7.637 -26.363 1.00 0.00 H new ATOM 0 HG21 ILE A 278 -1.947 7.555 -24.339 1.00 0.00 H new ATOM 0 HG22 ILE A 278 -2.552 8.651 -23.074 1.00 0.00 H new ATOM 0 HG23 ILE A 278 -3.237 7.017 -23.237 1.00 0.00 H new ATOM 0 HD11 ILE A 278 -3.344 6.168 -27.318 1.00 0.00 H new ATOM 0 HD12 ILE A 278 -2.746 7.837 -27.166 1.00 0.00 H new ATOM 0 HD13 ILE A 278 -2.249 6.603 -25.985 1.00 0.00 H new ATOM 186 N ASN A 279 -4.729 9.543 -21.701 1.00 0.00 N ATOM 187 CA ASN A 279 -4.384 10.472 -20.641 1.00 0.00 C ATOM 188 C ASN A 279 -2.877 10.489 -20.426 1.00 0.00 C ATOM 189 O ASN A 279 -2.207 9.464 -20.550 1.00 0.00 O ATOM 190 CB ASN A 279 -5.097 10.079 -19.347 1.00 0.00 C ATOM 191 CG ASN A 279 -6.598 10.307 -19.496 1.00 0.00 C ATOM 192 OD1 ASN A 279 -7.123 11.316 -19.027 1.00 0.00 O ATOM 193 ND2 ASN A 279 -7.323 9.427 -20.131 1.00 0.00 N ATOM 0 H ASN A 279 -4.956 8.601 -21.383 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.707 11.472 -20.931 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -4.900 9.032 -19.116 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -4.711 10.668 -18.515 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -8.326 9.575 -20.239 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -6.886 8.591 -20.519 1.00 0.00 H new ATOM 200 N LYS A 280 -2.353 11.665 -20.122 1.00 0.00 N ATOM 201 CA LYS A 280 -0.918 11.823 -19.909 1.00 0.00 C ATOM 202 C LYS A 280 -0.412 10.798 -18.894 1.00 0.00 C ATOM 203 O LYS A 280 0.713 10.309 -19.001 1.00 0.00 O ATOM 204 CB LYS A 280 -0.598 13.253 -19.409 1.00 0.00 C ATOM 205 CG LYS A 280 -1.873 14.105 -19.364 1.00 0.00 C ATOM 206 CD LYS A 280 -2.357 14.397 -20.790 1.00 0.00 C ATOM 207 CE LYS A 280 -3.873 14.628 -20.793 1.00 0.00 C ATOM 208 NZ LYS A 280 -4.208 15.698 -21.776 1.00 0.00 N ATOM 0 H LYS A 280 -2.895 12.523 -20.017 1.00 0.00 H new ATOM 0 HA LYS A 280 -0.413 11.659 -20.861 1.00 0.00 H new ATOM 0 HB2 LYS A 280 -0.150 13.206 -18.416 1.00 0.00 H new ATOM 0 HB3 LYS A 280 0.135 13.719 -20.068 1.00 0.00 H new ATOM 0 HG2 LYS A 280 -2.650 13.582 -18.807 1.00 0.00 H new ATOM 0 HG3 LYS A 280 -1.678 15.040 -18.838 1.00 0.00 H new ATOM 0 HD2 LYS A 280 -1.846 15.276 -21.183 1.00 0.00 H new ATOM 0 HD3 LYS A 280 -2.107 13.563 -21.446 1.00 0.00 H new ATOM 0 HE2 LYS A 280 -4.392 13.705 -21.052 1.00 0.00 H new ATOM 0 HE3 LYS A 280 -4.210 14.915 -19.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 -4.899 16.352 -21.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 -3.345 16.221 -22.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 -4.615 15.269 -22.631 1.00 0.00 H new ATOM 222 N LYS A 281 -1.244 10.482 -17.908 1.00 0.00 N ATOM 223 CA LYS A 281 -0.861 9.520 -16.880 1.00 0.00 C ATOM 224 C LYS A 281 -0.519 8.167 -17.501 1.00 0.00 C ATOM 225 O LYS A 281 0.415 7.492 -17.066 1.00 0.00 O ATOM 226 CB LYS A 281 -2.005 9.342 -15.878 1.00 0.00 C ATOM 227 CG LYS A 281 -2.201 10.631 -15.069 1.00 0.00 C ATOM 228 CD LYS A 281 -2.988 11.658 -15.893 1.00 0.00 C ATOM 229 CE LYS A 281 -3.527 12.749 -14.964 1.00 0.00 C ATOM 230 NZ LYS A 281 -2.452 13.179 -14.027 1.00 0.00 N ATOM 0 H LYS A 281 -2.180 10.873 -17.798 1.00 0.00 H new ATOM 0 HA LYS A 281 0.021 9.905 -16.367 1.00 0.00 H new ATOM 0 HB2 LYS A 281 -2.925 9.091 -16.405 1.00 0.00 H new ATOM 0 HB3 LYS A 281 -1.785 8.512 -15.207 1.00 0.00 H new ATOM 0 HG2 LYS A 281 -2.734 10.411 -14.144 1.00 0.00 H new ATOM 0 HG3 LYS A 281 -1.232 11.044 -14.789 1.00 0.00 H new ATOM 0 HD2 LYS A 281 -2.345 12.099 -16.655 1.00 0.00 H new ATOM 0 HD3 LYS A 281 -3.811 11.169 -16.414 1.00 0.00 H new ATOM 0 HE2 LYS A 281 -3.876 13.600 -15.549 1.00 0.00 H new ATOM 0 HE3 LYS A 281 -4.384 12.374 -14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 -2.675 14.123 -13.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 -2.385 12.502 -13.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 -1.544 13.213 -14.533 1.00 0.00 H new ATOM 244 N LEU A 282 -1.286 7.775 -18.514 1.00 0.00 N ATOM 245 CA LEU A 282 -1.063 6.498 -19.185 1.00 0.00 C ATOM 246 C LEU A 282 0.260 6.493 -19.944 1.00 0.00 C ATOM 247 O LEU A 282 0.885 5.444 -20.108 1.00 0.00 O ATOM 248 CB LEU A 282 -2.211 6.211 -20.155 1.00 0.00 C ATOM 249 CG LEU A 282 -3.536 6.171 -19.389 1.00 0.00 C ATOM 250 CD1 LEU A 282 -4.679 5.885 -20.366 1.00 0.00 C ATOM 251 CD2 LEU A 282 -3.487 5.064 -18.328 1.00 0.00 C ATOM 0 H LEU A 282 -2.064 8.320 -18.887 1.00 0.00 H new ATOM 0 HA LEU A 282 -1.022 5.721 -18.422 1.00 0.00 H new ATOM 0 HB2 LEU A 282 -2.249 6.980 -20.926 1.00 0.00 H new ATOM 0 HB3 LEU A 282 -2.043 5.260 -20.661 1.00 0.00 H new ATOM 0 HG LEU A 282 -3.700 7.132 -18.902 1.00 0.00 H new ATOM 0 HD11 LEU A 282 -5.623 5.856 -19.823 1.00 0.00 H new ATOM 0 HD12 LEU A 282 -4.718 6.671 -21.120 1.00 0.00 H new ATOM 0 HD13 LEU A 282 -4.510 4.924 -20.852 1.00 0.00 H new ATOM 0 HD21 LEU A 282 -4.432 5.039 -17.785 1.00 0.00 H new ATOM 0 HD22 LEU A 282 -3.321 4.102 -18.813 1.00 0.00 H new ATOM 0 HD23 LEU A 282 -2.673 5.264 -17.631 1.00 0.00 H new ATOM 263 N ASP A 283 0.680 7.660 -20.419 1.00 0.00 N ATOM 264 CA ASP A 283 1.926 7.758 -21.171 1.00 0.00 C ATOM 265 C ASP A 283 3.131 7.725 -20.236 1.00 0.00 C ATOM 266 O ASP A 283 3.313 8.616 -19.406 1.00 0.00 O ATOM 267 CB ASP A 283 1.947 9.050 -21.989 1.00 0.00 C ATOM 268 CG ASP A 283 3.191 9.085 -22.869 1.00 0.00 C ATOM 269 OD1 ASP A 283 3.964 8.142 -22.807 1.00 0.00 O ATOM 270 OD2 ASP A 283 3.353 10.052 -23.593 1.00 0.00 O ATOM 0 H ASP A 283 0.183 8.543 -20.299 1.00 0.00 H new ATOM 0 HA ASP A 283 1.983 6.902 -21.843 1.00 0.00 H new ATOM 0 HB2 ASP A 283 1.051 9.114 -22.607 1.00 0.00 H new ATOM 0 HB3 ASP A 283 1.937 9.913 -21.323 1.00 0.00 H new ATOM 275 N LEU A 284 3.952 6.690 -20.385 1.00 0.00 N ATOM 276 CA LEU A 284 5.145 6.541 -19.558 1.00 0.00 C ATOM 277 C LEU A 284 6.131 7.669 -19.842 1.00 0.00 C ATOM 278 O LEU A 284 6.791 8.175 -18.935 1.00 0.00 O ATOM 279 CB LEU A 284 5.814 5.201 -19.869 1.00 0.00 C ATOM 280 CG LEU A 284 4.798 4.070 -19.704 1.00 0.00 C ATOM 281 CD1 LEU A 284 5.419 2.755 -20.178 1.00 0.00 C ATOM 282 CD2 LEU A 284 4.407 3.945 -18.229 1.00 0.00 C ATOM 0 H LEU A 284 3.814 5.945 -21.068 1.00 0.00 H new ATOM 0 HA LEU A 284 4.853 6.578 -18.509 1.00 0.00 H new ATOM 0 HB2 LEU A 284 6.206 5.206 -20.886 1.00 0.00 H new ATOM 0 HB3 LEU A 284 6.661 5.043 -19.202 1.00 0.00 H new ATOM 0 HG LEU A 284 3.911 4.290 -20.298 1.00 0.00 H new ATOM 0 HD11 LEU A 284 4.696 1.948 -20.061 1.00 0.00 H new ATOM 0 HD12 LEU A 284 5.698 2.842 -21.228 1.00 0.00 H new ATOM 0 HD13 LEU A 284 6.306 2.536 -19.583 1.00 0.00 H new ATOM 0 HD21 LEU A 284 3.683 3.139 -18.112 1.00 0.00 H new ATOM 0 HD22 LEU A 284 5.294 3.725 -17.635 1.00 0.00 H new ATOM 0 HD23 LEU A 284 3.965 4.882 -17.889 1.00 0.00 H new ATOM 294 N SER A 285 6.219 8.043 -21.115 1.00 0.00 N ATOM 295 CA SER A 285 7.122 9.104 -21.553 1.00 0.00 C ATOM 296 C SER A 285 7.525 8.856 -23.003 1.00 0.00 C ATOM 297 O SER A 285 8.708 8.729 -23.318 1.00 0.00 O ATOM 298 CB SER A 285 8.371 9.142 -20.668 1.00 0.00 C ATOM 299 OG SER A 285 8.118 9.963 -19.535 1.00 0.00 O ATOM 0 H SER A 285 5.672 7.624 -21.867 1.00 0.00 H new ATOM 0 HA SER A 285 6.610 10.063 -21.472 1.00 0.00 H new ATOM 0 HB2 SER A 285 8.636 8.134 -20.349 1.00 0.00 H new ATOM 0 HB3 SER A 285 9.219 9.531 -21.232 1.00 0.00 H new ATOM 0 HG SER A 285 7.632 9.447 -18.859 1.00 0.00 H new ATOM 305 N ASN A 286 6.526 8.768 -23.876 1.00 0.00 N ATOM 306 CA ASN A 286 6.771 8.514 -25.292 1.00 0.00 C ATOM 307 C ASN A 286 7.220 7.070 -25.497 1.00 0.00 C ATOM 308 O ASN A 286 7.079 6.514 -26.587 1.00 0.00 O ATOM 309 CB ASN A 286 7.840 9.467 -25.830 1.00 0.00 C ATOM 310 CG ASN A 286 7.730 9.563 -27.347 1.00 0.00 C ATOM 311 OD1 ASN A 286 6.829 10.222 -27.864 1.00 0.00 O ATOM 312 ND2 ASN A 286 8.594 8.934 -28.094 1.00 0.00 N ATOM 0 H ASN A 286 5.542 8.869 -23.629 1.00 0.00 H new ATOM 0 HA ASN A 286 5.842 8.682 -25.837 1.00 0.00 H new ATOM 0 HB2 ASN A 286 7.718 10.454 -25.384 1.00 0.00 H new ATOM 0 HB3 ASN A 286 8.832 9.111 -25.550 1.00 0.00 H new ATOM 0 HD21 ASN A 286 8.524 8.988 -29.110 1.00 0.00 H new ATOM 0 HD22 ASN A 286 9.340 8.388 -27.662 1.00 0.00 H new ATOM 319 N VAL A 287 7.749 6.464 -24.437 1.00 0.00 N ATOM 320 CA VAL A 287 8.201 5.080 -24.503 1.00 0.00 C ATOM 321 C VAL A 287 7.033 4.166 -24.852 1.00 0.00 C ATOM 322 O VAL A 287 7.213 3.108 -25.455 1.00 0.00 O ATOM 323 CB VAL A 287 8.799 4.659 -23.160 1.00 0.00 C ATOM 324 CG1 VAL A 287 9.107 3.162 -23.184 1.00 0.00 C ATOM 325 CG2 VAL A 287 10.091 5.441 -22.911 1.00 0.00 C ATOM 0 H VAL A 287 7.874 6.908 -23.527 1.00 0.00 H new ATOM 0 HA VAL A 287 8.965 4.997 -25.276 1.00 0.00 H new ATOM 0 HB VAL A 287 8.086 4.869 -22.363 1.00 0.00 H new ATOM 0 HG11 VAL A 287 9.533 2.863 -22.226 1.00 0.00 H new ATOM 0 HG12 VAL A 287 8.188 2.604 -23.362 1.00 0.00 H new ATOM 0 HG13 VAL A 287 9.820 2.950 -23.981 1.00 0.00 H new ATOM 0 HG21 VAL A 287 10.519 5.142 -21.954 1.00 0.00 H new ATOM 0 HG22 VAL A 287 10.803 5.230 -23.708 1.00 0.00 H new ATOM 0 HG23 VAL A 287 9.872 6.509 -22.893 1.00 0.00 H new ATOM 335 N GLN A 288 5.835 4.588 -24.462 1.00 0.00 N ATOM 336 CA GLN A 288 4.627 3.814 -24.727 1.00 0.00 C ATOM 337 C GLN A 288 4.612 3.302 -26.164 1.00 0.00 C ATOM 338 O GLN A 288 3.769 2.482 -26.525 1.00 0.00 O ATOM 339 CB GLN A 288 3.387 4.674 -24.471 1.00 0.00 C ATOM 340 CG GLN A 288 2.136 3.790 -24.492 1.00 0.00 C ATOM 341 CD GLN A 288 0.910 4.612 -24.114 1.00 0.00 C ATOM 342 OE1 GLN A 288 -0.215 4.117 -24.177 1.00 0.00 O ATOM 343 NE2 GLN A 288 1.061 5.847 -23.722 1.00 0.00 N ATOM 0 H GLN A 288 5.674 5.462 -23.961 1.00 0.00 H new ATOM 0 HA GLN A 288 4.618 2.956 -24.055 1.00 0.00 H new ATOM 0 HB2 GLN A 288 3.473 5.177 -23.508 1.00 0.00 H new ATOM 0 HB3 GLN A 288 3.308 5.452 -25.231 1.00 0.00 H new ATOM 0 HG2 GLN A 288 2.003 3.358 -25.484 1.00 0.00 H new ATOM 0 HG3 GLN A 288 2.256 2.960 -23.796 1.00 0.00 H new ATOM 0 HE21 GLN A 288 1.994 6.255 -23.671 1.00 0.00 H new ATOM 0 HE22 GLN A 288 0.246 6.404 -23.467 1.00 0.00 H new ATOM 352 N SER A 289 5.546 3.786 -26.983 1.00 0.00 N ATOM 353 CA SER A 289 5.614 3.360 -28.378 1.00 0.00 C ATOM 354 C SER A 289 5.217 1.893 -28.494 1.00 0.00 C ATOM 355 O SER A 289 4.651 1.467 -29.500 1.00 0.00 O ATOM 356 CB SER A 289 7.034 3.551 -28.909 1.00 0.00 C ATOM 357 OG SER A 289 7.066 3.232 -30.293 1.00 0.00 O ATOM 0 H SER A 289 6.257 4.464 -26.708 1.00 0.00 H new ATOM 0 HA SER A 289 4.925 3.965 -28.967 1.00 0.00 H new ATOM 0 HB2 SER A 289 7.357 4.581 -28.754 1.00 0.00 H new ATOM 0 HB3 SER A 289 7.728 2.913 -28.361 1.00 0.00 H new ATOM 0 HG SER A 289 7.976 3.355 -30.636 1.00 0.00 H new ATOM 363 N LYS A 290 5.493 1.136 -27.435 1.00 0.00 N ATOM 364 CA LYS A 290 5.135 -0.278 -27.391 1.00 0.00 C ATOM 365 C LYS A 290 4.089 -0.509 -26.307 1.00 0.00 C ATOM 366 O LYS A 290 4.079 0.184 -25.289 1.00 0.00 O ATOM 367 CB LYS A 290 6.371 -1.141 -27.117 1.00 0.00 C ATOM 368 CG LYS A 290 5.972 -2.620 -27.110 1.00 0.00 C ATOM 369 CD LYS A 290 5.396 -3.006 -28.475 1.00 0.00 C ATOM 370 CE LYS A 290 5.577 -4.508 -28.706 1.00 0.00 C ATOM 371 NZ LYS A 290 6.909 -4.758 -29.325 1.00 0.00 N ATOM 0 H LYS A 290 5.963 1.478 -26.597 1.00 0.00 H new ATOM 0 HA LYS A 290 4.723 -0.564 -28.359 1.00 0.00 H new ATOM 0 HB2 LYS A 290 7.129 -0.962 -27.880 1.00 0.00 H new ATOM 0 HB3 LYS A 290 6.813 -0.868 -26.159 1.00 0.00 H new ATOM 0 HG2 LYS A 290 6.839 -3.239 -26.882 1.00 0.00 H new ATOM 0 HG3 LYS A 290 5.235 -2.804 -26.328 1.00 0.00 H new ATOM 0 HD2 LYS A 290 4.338 -2.746 -28.521 1.00 0.00 H new ATOM 0 HD3 LYS A 290 5.897 -2.444 -29.264 1.00 0.00 H new ATOM 0 HE2 LYS A 290 5.497 -5.044 -27.761 1.00 0.00 H new ATOM 0 HE3 LYS A 290 4.786 -4.885 -29.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 6.795 -5.366 -30.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 7.334 -3.853 -29.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 7.529 -5.229 -28.636 1.00 0.00 H new ATOM 385 N CYS A 291 3.206 -1.476 -26.525 1.00 0.00 N ATOM 386 CA CYS A 291 2.163 -1.765 -25.549 1.00 0.00 C ATOM 387 C CYS A 291 2.771 -2.367 -24.287 1.00 0.00 C ATOM 388 O CYS A 291 3.488 -3.366 -24.347 1.00 0.00 O ATOM 389 CB CYS A 291 1.143 -2.738 -26.144 1.00 0.00 C ATOM 390 SG CYS A 291 1.995 -4.222 -26.730 1.00 0.00 S ATOM 0 H CYS A 291 3.190 -2.066 -27.357 1.00 0.00 H new ATOM 0 HA CYS A 291 1.661 -0.832 -25.290 1.00 0.00 H new ATOM 0 HB2 CYS A 291 0.399 -3.005 -25.394 1.00 0.00 H new ATOM 0 HB3 CYS A 291 0.609 -2.263 -26.967 1.00 0.00 H new ATOM 0 HG CYS A 291 3.074 -4.408 -26.029 1.00 0.00 H new ATOM 396 N GLY A 292 2.483 -1.745 -23.147 1.00 0.00 N ATOM 397 CA GLY A 292 3.010 -2.219 -21.873 1.00 0.00 C ATOM 398 C GLY A 292 4.229 -1.404 -21.456 1.00 0.00 C ATOM 399 O GLY A 292 4.435 -1.145 -20.272 1.00 0.00 O ATOM 0 H GLY A 292 1.891 -0.917 -23.080 1.00 0.00 H new ATOM 0 HA2 GLY A 292 2.239 -2.147 -21.106 1.00 0.00 H new ATOM 0 HA3 GLY A 292 3.281 -3.272 -21.955 1.00 0.00 H new ATOM 403 N SER A 293 5.027 -1.005 -22.444 1.00 0.00 N ATOM 404 CA SER A 293 6.231 -0.218 -22.186 1.00 0.00 C ATOM 405 C SER A 293 7.252 -0.444 -23.295 1.00 0.00 C ATOM 406 O SER A 293 7.301 0.306 -24.270 1.00 0.00 O ATOM 407 CB SER A 293 6.843 -0.607 -20.838 1.00 0.00 C ATOM 408 OG SER A 293 6.259 0.185 -19.813 1.00 0.00 O ATOM 0 H SER A 293 4.862 -1.213 -23.429 1.00 0.00 H new ATOM 0 HA SER A 293 5.956 0.836 -22.160 1.00 0.00 H new ATOM 0 HB2 SER A 293 6.671 -1.665 -20.639 1.00 0.00 H new ATOM 0 HB3 SER A 293 7.923 -0.458 -20.859 1.00 0.00 H new ATOM 0 HG SER A 293 5.416 -0.223 -19.525 1.00 0.00 H new ATOM 414 N LYS A 294 8.065 -1.483 -23.135 1.00 0.00 N ATOM 415 CA LYS A 294 9.083 -1.807 -24.127 1.00 0.00 C ATOM 416 C LYS A 294 9.325 -3.315 -24.155 1.00 0.00 C ATOM 417 O LYS A 294 10.434 -3.776 -24.428 1.00 0.00 O ATOM 418 CB LYS A 294 10.387 -1.072 -23.798 1.00 0.00 C ATOM 419 CG LYS A 294 11.279 -1.015 -25.041 1.00 0.00 C ATOM 420 CD LYS A 294 12.601 -0.332 -24.688 1.00 0.00 C ATOM 421 CE LYS A 294 13.434 -0.141 -25.958 1.00 0.00 C ATOM 422 NZ LYS A 294 12.778 0.870 -26.835 1.00 0.00 N ATOM 0 H LYS A 294 8.039 -2.112 -22.332 1.00 0.00 H new ATOM 0 HA LYS A 294 8.735 -1.487 -25.109 1.00 0.00 H new ATOM 0 HB2 LYS A 294 10.168 -0.063 -23.450 1.00 0.00 H new ATOM 0 HB3 LYS A 294 10.908 -1.582 -22.988 1.00 0.00 H new ATOM 0 HG2 LYS A 294 11.466 -2.022 -25.414 1.00 0.00 H new ATOM 0 HG3 LYS A 294 10.776 -0.468 -25.838 1.00 0.00 H new ATOM 0 HD2 LYS A 294 12.410 0.633 -24.218 1.00 0.00 H new ATOM 0 HD3 LYS A 294 13.152 -0.935 -23.966 1.00 0.00 H new ATOM 0 HE2 LYS A 294 14.441 0.185 -25.699 1.00 0.00 H new ATOM 0 HE3 LYS A 294 13.532 -1.089 -26.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 13.482 1.275 -27.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 12.021 0.414 -27.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 12.372 1.627 -26.249 1.00 0.00 H new ATOM 436 N ASP A 295 8.277 -4.082 -23.868 1.00 0.00 N ATOM 437 CA ASP A 295 8.384 -5.536 -23.864 1.00 0.00 C ATOM 438 C ASP A 295 9.490 -5.998 -22.923 1.00 0.00 C ATOM 439 O ASP A 295 10.290 -6.865 -23.272 1.00 0.00 O ATOM 440 CB ASP A 295 8.688 -6.036 -25.273 1.00 0.00 C ATOM 441 CG ASP A 295 7.507 -5.751 -26.194 1.00 0.00 C ATOM 442 OD1 ASP A 295 6.452 -5.411 -25.684 1.00 0.00 O ATOM 443 OD2 ASP A 295 7.676 -5.879 -27.395 1.00 0.00 O ATOM 0 H ASP A 295 7.351 -3.723 -23.637 1.00 0.00 H new ATOM 0 HA ASP A 295 7.434 -5.945 -23.520 1.00 0.00 H new ATOM 0 HB2 ASP A 295 9.584 -5.547 -25.656 1.00 0.00 H new ATOM 0 HB3 ASP A 295 8.893 -7.106 -25.252 1.00 0.00 H new ATOM 448 N ASN A 296 9.527 -5.419 -21.733 1.00 0.00 N ATOM 449 CA ASN A 296 10.539 -5.786 -20.752 1.00 0.00 C ATOM 450 C ASN A 296 10.013 -5.542 -19.348 1.00 0.00 C ATOM 451 O ASN A 296 10.568 -6.038 -18.368 1.00 0.00 O ATOM 452 CB ASN A 296 11.809 -4.963 -20.978 1.00 0.00 C ATOM 453 CG ASN A 296 12.374 -5.242 -22.367 1.00 0.00 C ATOM 454 OD1 ASN A 296 12.660 -4.311 -23.120 1.00 0.00 O ATOM 455 ND2 ASN A 296 12.554 -6.475 -22.751 1.00 0.00 N ATOM 0 H ASN A 296 8.874 -4.699 -21.424 1.00 0.00 H new ATOM 0 HA ASN A 296 10.774 -6.844 -20.867 1.00 0.00 H new ATOM 0 HB2 ASN A 296 11.587 -3.901 -20.874 1.00 0.00 H new ATOM 0 HB3 ASN A 296 12.551 -5.209 -20.219 1.00 0.00 H new ATOM 0 HD21 ASN A 296 12.933 -6.670 -23.678 1.00 0.00 H new ATOM 0 HD22 ASN A 296 12.316 -7.244 -22.125 1.00 0.00 H new ATOM 462 N ILE A 297 8.934 -4.771 -19.262 1.00 0.00 N ATOM 463 CA ILE A 297 8.330 -4.461 -17.979 1.00 0.00 C ATOM 464 C ILE A 297 6.811 -4.470 -18.095 1.00 0.00 C ATOM 465 O ILE A 297 6.110 -4.094 -17.158 1.00 0.00 O ATOM 466 CB ILE A 297 8.830 -3.099 -17.484 1.00 0.00 C ATOM 467 CG1 ILE A 297 8.153 -1.957 -18.255 1.00 0.00 C ATOM 468 CG2 ILE A 297 10.341 -3.016 -17.712 1.00 0.00 C ATOM 469 CD1 ILE A 297 8.601 -0.622 -17.663 1.00 0.00 C ATOM 0 H ILE A 297 8.464 -4.352 -20.065 1.00 0.00 H new ATOM 0 HA ILE A 297 8.620 -5.222 -17.254 1.00 0.00 H new ATOM 0 HB ILE A 297 8.591 -3.001 -16.425 1.00 0.00 H new ATOM 0 HG12 ILE A 297 8.417 -2.008 -19.311 1.00 0.00 H new ATOM 0 HG13 ILE A 297 7.069 -2.052 -18.192 1.00 0.00 H new ATOM 0 HG21 ILE A 297 10.709 -2.051 -17.364 1.00 0.00 H new ATOM 0 HG22 ILE A 297 10.837 -3.814 -17.160 1.00 0.00 H new ATOM 0 HG23 ILE A 297 10.555 -3.124 -18.775 1.00 0.00 H new ATOM 0 HD11 ILE A 297 8.124 0.195 -18.205 1.00 0.00 H new ATOM 0 HD12 ILE A 297 8.315 -0.576 -16.612 1.00 0.00 H new ATOM 0 HD13 ILE A 297 9.684 -0.531 -17.749 1.00 0.00 H new ATOM 481 N LYS A 298 6.309 -4.902 -19.250 1.00 0.00 N ATOM 482 CA LYS A 298 4.868 -4.957 -19.463 1.00 0.00 C ATOM 483 C LYS A 298 4.201 -5.596 -18.263 1.00 0.00 C ATOM 484 O LYS A 298 3.998 -6.809 -18.219 1.00 0.00 O ATOM 485 CB LYS A 298 4.553 -5.764 -20.725 1.00 0.00 C ATOM 486 CG LYS A 298 3.038 -5.944 -20.855 1.00 0.00 C ATOM 487 CD LYS A 298 2.703 -6.527 -22.232 1.00 0.00 C ATOM 488 CE LYS A 298 3.239 -7.958 -22.336 1.00 0.00 C ATOM 489 NZ LYS A 298 2.896 -8.714 -21.100 1.00 0.00 N ATOM 0 H LYS A 298 6.871 -5.215 -20.042 1.00 0.00 H new ATOM 0 HA LYS A 298 4.487 -3.944 -19.590 1.00 0.00 H new ATOM 0 HB2 LYS A 298 4.945 -5.252 -21.604 1.00 0.00 H new ATOM 0 HB3 LYS A 298 5.042 -6.737 -20.678 1.00 0.00 H new ATOM 0 HG2 LYS A 298 2.672 -6.606 -20.070 1.00 0.00 H new ATOM 0 HG3 LYS A 298 2.536 -4.986 -20.723 1.00 0.00 H new ATOM 0 HD2 LYS A 298 1.624 -6.521 -22.386 1.00 0.00 H new ATOM 0 HD3 LYS A 298 3.140 -5.908 -23.015 1.00 0.00 H new ATOM 0 HE2 LYS A 298 2.812 -8.454 -23.207 1.00 0.00 H new ATOM 0 HE3 LYS A 298 4.320 -7.942 -22.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 3.605 -9.457 -20.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 2.885 -8.065 -20.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 1.957 -9.149 -21.208 1.00 0.00 H new ATOM 503 N HIS A 299 3.877 -4.766 -17.284 1.00 0.00 N ATOM 504 CA HIS A 299 3.250 -5.253 -16.074 1.00 0.00 C ATOM 505 C HIS A 299 2.867 -4.091 -15.162 1.00 0.00 C ATOM 506 O HIS A 299 3.451 -3.011 -15.229 1.00 0.00 O ATOM 507 CB HIS A 299 4.207 -6.207 -15.366 1.00 0.00 C ATOM 508 CG HIS A 299 5.536 -5.535 -15.145 1.00 0.00 C ATOM 509 ND1 HIS A 299 5.663 -4.321 -14.489 1.00 0.00 N ATOM 510 CD2 HIS A 299 6.809 -5.906 -15.492 1.00 0.00 C ATOM 511 CE1 HIS A 299 6.973 -4.012 -14.461 1.00 0.00 C ATOM 512 NE2 HIS A 299 7.716 -4.945 -15.060 1.00 0.00 N ATOM 0 H HIS A 299 4.038 -3.759 -17.306 1.00 0.00 H new ATOM 0 HA HIS A 299 2.335 -5.787 -16.329 1.00 0.00 H new ATOM 0 HB2 HIS A 299 3.784 -6.517 -14.410 1.00 0.00 H new ATOM 0 HB3 HIS A 299 4.341 -7.109 -15.963 1.00 0.00 H new ATOM 0 HD2 HIS A 299 7.069 -6.810 -16.022 1.00 0.00 H new ATOM 0 HE1 HIS A 299 7.374 -3.117 -14.008 1.00 0.00 H new ATOM 0 HE2 HIS A 299 8.729 -4.952 -15.176 1.00 0.00 H new ATOM 521 N VAL A 300 1.870 -4.324 -14.320 1.00 0.00 N ATOM 522 CA VAL A 300 1.378 -3.298 -13.402 1.00 0.00 C ATOM 523 C VAL A 300 2.463 -2.781 -12.457 1.00 0.00 C ATOM 524 O VAL A 300 2.842 -1.612 -12.518 1.00 0.00 O ATOM 525 CB VAL A 300 0.220 -3.858 -12.568 1.00 0.00 C ATOM 526 CG1 VAL A 300 -0.694 -2.707 -12.133 1.00 0.00 C ATOM 527 CG2 VAL A 300 -0.585 -4.882 -13.391 1.00 0.00 C ATOM 0 H VAL A 300 1.382 -5.217 -14.251 1.00 0.00 H new ATOM 0 HA VAL A 300 1.044 -2.461 -14.015 1.00 0.00 H new ATOM 0 HB VAL A 300 0.623 -4.359 -11.687 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -1.519 -3.102 -11.540 1.00 0.00 H new ATOM 0 HG12 VAL A 300 -0.124 -1.996 -11.535 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -1.090 -2.204 -13.015 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -1.404 -5.271 -12.786 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -0.989 -4.398 -14.280 1.00 0.00 H new ATOM 0 HG23 VAL A 300 0.068 -5.702 -13.690 1.00 0.00 H new ATOM 537 N PRO A 301 2.938 -3.616 -11.567 1.00 0.00 N ATOM 538 CA PRO A 301 3.961 -3.205 -10.583 1.00 0.00 C ATOM 539 C PRO A 301 5.159 -2.544 -11.263 1.00 0.00 C ATOM 540 O PRO A 301 5.979 -3.216 -11.888 1.00 0.00 O ATOM 541 CB PRO A 301 4.332 -4.545 -9.957 1.00 0.00 C ATOM 542 CG PRO A 301 4.286 -5.510 -11.098 1.00 0.00 C ATOM 543 CD PRO A 301 3.345 -4.905 -12.150 1.00 0.00 C ATOM 0 HA PRO A 301 3.617 -2.461 -9.864 1.00 0.00 H new ATOM 0 HB2 PRO A 301 5.323 -4.512 -9.504 1.00 0.00 H new ATOM 0 HB3 PRO A 301 3.631 -4.825 -9.171 1.00 0.00 H new ATOM 0 HG2 PRO A 301 5.282 -5.666 -11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 301 3.923 -6.483 -10.768 1.00 0.00 H new ATOM 0 HD2 PRO A 301 3.851 -4.768 -13.106 1.00 0.00 H new ATOM 0 HD3 PRO A 301 2.485 -5.549 -12.333 1.00 0.00 H new ATOM 551 N GLY A 302 5.245 -1.222 -11.144 1.00 0.00 N ATOM 552 CA GLY A 302 6.337 -0.474 -11.759 1.00 0.00 C ATOM 553 C GLY A 302 5.865 0.235 -13.026 1.00 0.00 C ATOM 554 O GLY A 302 6.635 0.942 -13.677 1.00 0.00 O ATOM 0 H GLY A 302 4.575 -0.649 -10.630 1.00 0.00 H new ATOM 0 HA2 GLY A 302 6.726 0.258 -11.051 1.00 0.00 H new ATOM 0 HA3 GLY A 302 7.157 -1.151 -12.000 1.00 0.00 H new ATOM 558 N GLY A 303 4.591 0.048 -13.365 1.00 0.00 N ATOM 559 CA GLY A 303 4.020 0.683 -14.551 1.00 0.00 C ATOM 560 C GLY A 303 3.947 -0.289 -15.726 1.00 0.00 C ATOM 561 O GLY A 303 4.922 -0.971 -16.043 1.00 0.00 O ATOM 0 H GLY A 303 3.938 -0.534 -12.840 1.00 0.00 H new ATOM 0 HA2 GLY A 303 3.021 1.053 -14.321 1.00 0.00 H new ATOM 0 HA3 GLY A 303 4.624 1.547 -14.829 1.00 0.00 H new ATOM 565 N GLY A 304 2.784 -0.341 -16.371 1.00 0.00 N ATOM 566 CA GLY A 304 2.590 -1.227 -17.517 1.00 0.00 C ATOM 567 C GLY A 304 1.168 -1.128 -18.059 1.00 0.00 C ATOM 568 O GLY A 304 0.414 -0.223 -17.698 1.00 0.00 O ATOM 0 H GLY A 304 1.966 0.216 -16.122 1.00 0.00 H new ATOM 0 HA2 GLY A 304 3.300 -0.969 -18.303 1.00 0.00 H new ATOM 0 HA3 GLY A 304 2.799 -2.256 -17.224 1.00 0.00 H new ATOM 572 N SER A 305 0.809 -2.070 -18.929 1.00 0.00 N ATOM 573 CA SER A 305 -0.525 -2.090 -19.520 1.00 0.00 C ATOM 574 C SER A 305 -1.586 -2.299 -18.444 1.00 0.00 C ATOM 575 O SER A 305 -2.773 -2.079 -18.682 1.00 0.00 O ATOM 576 CB SER A 305 -0.620 -3.204 -20.564 1.00 0.00 C ATOM 577 OG SER A 305 -0.501 -4.464 -19.918 1.00 0.00 O ATOM 0 H SER A 305 1.421 -2.825 -19.238 1.00 0.00 H new ATOM 0 HA SER A 305 -0.702 -1.129 -20.003 1.00 0.00 H new ATOM 0 HB2 SER A 305 -1.571 -3.142 -21.093 1.00 0.00 H new ATOM 0 HB3 SER A 305 0.167 -3.088 -21.309 1.00 0.00 H new ATOM 0 HG SER A 305 0.275 -4.943 -20.276 1.00 0.00 H new ATOM 583 N VAL A 306 -1.145 -2.719 -17.261 1.00 0.00 N ATOM 584 CA VAL A 306 -2.051 -2.954 -16.137 1.00 0.00 C ATOM 585 C VAL A 306 -2.825 -4.259 -16.318 1.00 0.00 C ATOM 586 O VAL A 306 -4.011 -4.244 -16.644 1.00 0.00 O ATOM 587 CB VAL A 306 -3.041 -1.791 -15.990 1.00 0.00 C ATOM 588 CG1 VAL A 306 -3.618 -1.795 -14.572 1.00 0.00 C ATOM 589 CG2 VAL A 306 -2.322 -0.458 -16.248 1.00 0.00 C ATOM 0 H VAL A 306 -0.163 -2.904 -17.054 1.00 0.00 H new ATOM 0 HA VAL A 306 -1.444 -3.028 -15.235 1.00 0.00 H new ATOM 0 HB VAL A 306 -3.847 -1.908 -16.715 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -4.322 -0.970 -14.463 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -4.134 -2.738 -14.392 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -2.810 -1.680 -13.850 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -3.030 0.364 -16.142 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -1.513 -0.335 -15.527 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -1.912 -0.455 -17.258 1.00 0.00 H new ATOM 599 N GLN A 307 -2.148 -5.389 -16.100 1.00 0.00 N ATOM 600 CA GLN A 307 -2.789 -6.695 -16.240 1.00 0.00 C ATOM 601 C GLN A 307 -2.415 -7.630 -15.084 1.00 0.00 C ATOM 602 O GLN A 307 -3.259 -7.956 -14.249 1.00 0.00 O ATOM 603 CB GLN A 307 -2.397 -7.332 -17.580 1.00 0.00 C ATOM 604 CG GLN A 307 -1.015 -6.835 -18.012 1.00 0.00 C ATOM 605 CD GLN A 307 -0.637 -7.464 -19.348 1.00 0.00 C ATOM 606 OE1 GLN A 307 -1.513 -7.845 -20.125 1.00 0.00 O ATOM 607 NE2 GLN A 307 0.620 -7.597 -19.664 1.00 0.00 N ATOM 0 H GLN A 307 -1.165 -5.425 -15.828 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.868 -6.544 -16.213 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -2.389 -8.418 -17.487 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -3.136 -7.082 -18.341 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -1.020 -5.748 -18.099 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -0.273 -7.091 -17.256 1.00 0.00 H new ATOM 0 HE21 GLN A 307 1.344 -7.281 -19.019 1.00 0.00 H new ATOM 0 HE22 GLN A 307 0.880 -8.017 -20.556 1.00 0.00 H new ATOM 616 N ILE A 308 -1.156 -8.076 -15.046 1.00 0.00 N ATOM 617 CA ILE A 308 -0.707 -8.991 -13.991 1.00 0.00 C ATOM 618 C ILE A 308 0.265 -8.317 -13.023 1.00 0.00 C ATOM 619 O ILE A 308 1.228 -7.671 -13.432 1.00 0.00 O ATOM 620 CB ILE A 308 -0.040 -10.231 -14.613 1.00 0.00 C ATOM 621 CG1 ILE A 308 0.978 -9.822 -15.698 1.00 0.00 C ATOM 622 CG2 ILE A 308 -1.115 -11.108 -15.254 1.00 0.00 C ATOM 623 CD1 ILE A 308 2.308 -9.370 -15.075 1.00 0.00 C ATOM 0 H ILE A 308 -0.437 -7.823 -15.724 1.00 0.00 H new ATOM 0 HA ILE A 308 -1.589 -9.290 -13.425 1.00 0.00 H new ATOM 0 HB ILE A 308 0.482 -10.775 -13.826 1.00 0.00 H new ATOM 0 HG12 ILE A 308 1.155 -10.663 -16.368 1.00 0.00 H new ATOM 0 HG13 ILE A 308 0.564 -9.015 -16.302 1.00 0.00 H new ATOM 0 HG21 ILE A 308 -0.650 -11.989 -15.697 1.00 0.00 H new ATOM 0 HG22 ILE A 308 -1.831 -11.420 -14.494 1.00 0.00 H new ATOM 0 HG23 ILE A 308 -1.632 -10.542 -16.029 1.00 0.00 H new ATOM 0 HD11 ILE A 308 3.003 -9.089 -15.866 1.00 0.00 H new ATOM 0 HD12 ILE A 308 2.132 -8.513 -14.424 1.00 0.00 H new ATOM 0 HD13 ILE A 308 2.733 -10.187 -14.492 1.00 0.00 H new ATOM 635 N VAL A 309 0.002 -8.484 -11.727 1.00 0.00 N ATOM 636 CA VAL A 309 0.857 -7.916 -10.693 1.00 0.00 C ATOM 637 C VAL A 309 2.008 -8.871 -10.393 1.00 0.00 C ATOM 638 O VAL A 309 2.930 -8.544 -9.646 1.00 0.00 O ATOM 639 CB VAL A 309 0.047 -7.664 -9.419 1.00 0.00 C ATOM 640 CG1 VAL A 309 -1.160 -6.782 -9.746 1.00 0.00 C ATOM 641 CG2 VAL A 309 -0.439 -8.999 -8.851 1.00 0.00 C ATOM 0 H VAL A 309 -0.797 -9.009 -11.371 1.00 0.00 H new ATOM 0 HA VAL A 309 1.260 -6.968 -11.049 1.00 0.00 H new ATOM 0 HB VAL A 309 0.676 -7.162 -8.684 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -1.736 -6.603 -8.838 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -0.816 -5.830 -10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -1.788 -7.284 -10.482 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -1.016 -8.820 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -1.067 -9.501 -9.587 1.00 0.00 H new ATOM 0 HG23 VAL A 309 0.419 -9.629 -8.617 1.00 0.00 H new ATOM 651 N TYR A 310 1.930 -10.059 -10.985 1.00 0.00 N ATOM 652 CA TYR A 310 2.946 -11.094 -10.798 1.00 0.00 C ATOM 653 C TYR A 310 4.362 -10.538 -11.010 1.00 0.00 C ATOM 654 O TYR A 310 5.345 -11.267 -10.890 1.00 0.00 O ATOM 655 CB TYR A 310 2.637 -12.268 -11.758 1.00 0.00 C ATOM 656 CG TYR A 310 3.882 -12.767 -12.462 1.00 0.00 C ATOM 657 CD1 TYR A 310 4.801 -13.579 -11.785 1.00 0.00 C ATOM 658 CD2 TYR A 310 4.106 -12.421 -13.797 1.00 0.00 C ATOM 659 CE1 TYR A 310 5.945 -14.041 -12.447 1.00 0.00 C ATOM 660 CE2 TYR A 310 5.246 -12.882 -14.460 1.00 0.00 C ATOM 661 CZ TYR A 310 6.168 -13.692 -13.786 1.00 0.00 C ATOM 662 OH TYR A 310 7.294 -14.149 -14.440 1.00 0.00 O ATOM 0 H TYR A 310 1.167 -10.332 -11.604 1.00 0.00 H new ATOM 0 HA TYR A 310 2.914 -11.455 -9.770 1.00 0.00 H new ATOM 0 HB2 TYR A 310 2.185 -13.086 -11.197 1.00 0.00 H new ATOM 0 HB3 TYR A 310 1.905 -11.947 -12.499 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.627 -13.848 -10.754 1.00 0.00 H new ATOM 0 HD2 TYR A 310 3.396 -11.796 -14.318 1.00 0.00 H new ATOM 0 HE1 TYR A 310 6.655 -14.666 -11.926 1.00 0.00 H new ATOM 0 HE2 TYR A 310 5.416 -12.614 -15.492 1.00 0.00 H new ATOM 0 HH TYR A 310 7.295 -13.816 -15.362 1.00 0.00 H new ATOM 672 N LYS A 311 4.459 -9.248 -11.320 1.00 0.00 N ATOM 673 CA LYS A 311 5.754 -8.611 -11.536 1.00 0.00 C ATOM 674 C LYS A 311 6.740 -9.572 -12.198 1.00 0.00 C ATOM 675 O LYS A 311 7.430 -10.332 -11.519 1.00 0.00 O ATOM 676 CB LYS A 311 6.344 -8.113 -10.207 1.00 0.00 C ATOM 677 CG LYS A 311 6.075 -9.125 -9.090 1.00 0.00 C ATOM 678 CD LYS A 311 6.705 -8.624 -7.788 1.00 0.00 C ATOM 679 CE LYS A 311 6.920 -9.802 -6.837 1.00 0.00 C ATOM 680 NZ LYS A 311 6.966 -9.307 -5.433 1.00 0.00 N ATOM 0 H LYS A 311 3.658 -8.625 -11.427 1.00 0.00 H new ATOM 0 HA LYS A 311 5.592 -7.762 -12.200 1.00 0.00 H new ATOM 0 HB2 LYS A 311 7.417 -7.957 -10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 311 5.907 -7.149 -9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 311 5.002 -9.262 -8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 311 6.490 -10.097 -9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 311 7.656 -8.134 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 311 6.059 -7.880 -7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 311 6.114 -10.527 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 311 7.849 -10.316 -7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 7.112 -10.109 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 7.749 -8.631 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 6.069 -8.835 -5.202 1.00 0.00 H new ATOM 694 N PRO A 312 6.823 -9.540 -13.504 1.00 0.00 N ATOM 695 CA PRO A 312 7.758 -10.420 -14.260 1.00 0.00 C ATOM 696 C PRO A 312 9.207 -10.244 -13.815 1.00 0.00 C ATOM 697 O PRO A 312 9.691 -11.094 -13.085 1.00 0.00 O ATOM 698 CB PRO A 312 7.564 -9.958 -15.700 1.00 0.00 C ATOM 699 CG PRO A 312 6.133 -9.553 -15.775 1.00 0.00 C ATOM 700 CD PRO A 312 5.759 -9.025 -14.386 1.00 0.00 C ATOM 701 OXT PRO A 312 9.814 -9.263 -14.214 1.00 0.00 O ATOM 0 HA PRO A 312 7.553 -11.480 -14.107 1.00 0.00 H new ATOM 0 HB2 PRO A 312 8.225 -9.125 -15.942 1.00 0.00 H new ATOM 0 HB3 PRO A 312 7.787 -10.758 -16.406 1.00 0.00 H new ATOM 0 HG2 PRO A 312 5.986 -8.785 -16.535 1.00 0.00 H new ATOM 0 HG3 PRO A 312 5.504 -10.399 -16.051 1.00 0.00 H new ATOM 0 HD2 PRO A 312 5.722 -7.936 -14.371 1.00 0.00 H new ATOM 0 HD3 PRO A 312 4.777 -9.382 -14.076 1.00 0.00 H new TER 709 PRO A 312