USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=9 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 305 SER OG : rot 160:sc= -0.296 USER MOD Set 1.2: A 307 GLN : amide:sc= -3.55! K(o=-3.9!,f=-0.4) USER MOD Single : A 267 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 268 HIS : no HD1:sc= -3.44! K(o=-3.4!,f=-1.5) USER MOD Single : A 269 GLN : amide:sc= -1.39 X(o=-1.4,f=-0.95) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= -0.958 K(o=-0.96,f=-4.9!) USER MOD Single : A 279 ASN : amide:sc= -5.28! C(o=-5.3!,f=-1.4!) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ -156:sc=-0.00138 (180deg=-0.195) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 ASN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 288 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.057) USER MOD Single : A 289 SER OG : rot 180:sc= 0 USER MOD Single : A 290 LYS NZ :NH3+ -155:sc= -0.329 (180deg=-1.25) USER MOD Single : A 291 CYS SG : rot 180:sc=-0.000493 USER MOD Single : A 293 SER OG : rot 55:sc= -2.04! USER MOD Single : A 294 LYS NZ :NH3+ 160:sc= -0.115 (180deg=-0.755) USER MOD Single : A 296 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.4!) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 299 HIS : no HD1:sc= -15.6! C(o=-16!,f=-23!) USER MOD Single : A 310 TYR OH : rot 180:sc= -1.98 USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 16.091 -25.766 -12.662 1.00 0.00 N ATOM 2 CA LYS A 267 15.724 -25.340 -14.008 1.00 0.00 C ATOM 3 C LYS A 267 16.203 -23.915 -14.266 1.00 0.00 C ATOM 4 O LYS A 267 16.938 -23.342 -13.461 1.00 0.00 O ATOM 5 CB LYS A 267 14.207 -25.411 -14.182 1.00 0.00 C ATOM 6 CG LYS A 267 13.745 -26.865 -14.048 1.00 0.00 C ATOM 7 CD LYS A 267 12.246 -26.955 -14.343 1.00 0.00 C ATOM 8 CE LYS A 267 11.762 -28.383 -14.089 1.00 0.00 C ATOM 9 NZ LYS A 267 10.520 -28.633 -14.874 1.00 0.00 N ATOM 0 HA LYS A 267 16.202 -26.008 -14.725 1.00 0.00 H new ATOM 0 HB2 LYS A 267 13.715 -24.791 -13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 267 13.923 -25.017 -15.158 1.00 0.00 H new ATOM 0 HG2 LYS A 267 14.301 -27.499 -14.739 1.00 0.00 H new ATOM 0 HG3 LYS A 267 13.951 -27.232 -13.042 1.00 0.00 H new ATOM 0 HD2 LYS A 267 11.698 -26.256 -13.712 1.00 0.00 H new ATOM 0 HD3 LYS A 267 12.050 -26.672 -15.377 1.00 0.00 H new ATOM 0 HE2 LYS A 267 12.535 -29.097 -14.374 1.00 0.00 H new ATOM 0 HE3 LYS A 267 11.569 -28.530 -13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 10.190 -29.604 -14.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 9.783 -27.960 -14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 10.719 -28.510 -15.887 1.00 0.00 H new ATOM 23 N HIS A 268 15.778 -23.345 -15.389 1.00 0.00 N ATOM 24 CA HIS A 268 16.161 -21.983 -15.734 1.00 0.00 C ATOM 25 C HIS A 268 15.431 -20.994 -14.843 1.00 0.00 C ATOM 26 O HIS A 268 15.946 -19.922 -14.529 1.00 0.00 O ATOM 27 CB HIS A 268 15.818 -21.691 -17.195 1.00 0.00 C ATOM 28 CG HIS A 268 16.128 -20.249 -17.500 1.00 0.00 C ATOM 29 ND1 HIS A 268 17.102 -19.882 -18.416 1.00 0.00 N ATOM 30 CD2 HIS A 268 15.606 -19.073 -17.015 1.00 0.00 C ATOM 31 CE1 HIS A 268 17.137 -18.538 -18.453 1.00 0.00 C ATOM 32 NE2 HIS A 268 16.246 -17.995 -17.619 1.00 0.00 N ATOM 0 H HIS A 268 15.172 -23.802 -16.071 1.00 0.00 H new ATOM 0 HA HIS A 268 17.236 -21.880 -15.588 1.00 0.00 H new ATOM 0 HB2 HIS A 268 16.390 -22.345 -17.853 1.00 0.00 H new ATOM 0 HB3 HIS A 268 14.764 -21.896 -17.381 1.00 0.00 H new ATOM 0 HD2 HIS A 268 14.820 -18.998 -16.278 1.00 0.00 H new ATOM 0 HE1 HIS A 268 17.805 -17.967 -19.081 1.00 0.00 H new ATOM 0 HE2 HIS A 268 16.072 -17.003 -17.459 1.00 0.00 H new ATOM 41 N GLN A 269 14.217 -21.361 -14.457 1.00 0.00 N ATOM 42 CA GLN A 269 13.397 -20.499 -13.622 1.00 0.00 C ATOM 43 C GLN A 269 14.250 -19.780 -12.572 1.00 0.00 C ATOM 44 O GLN A 269 14.040 -18.599 -12.298 1.00 0.00 O ATOM 45 CB GLN A 269 12.294 -21.337 -12.950 1.00 0.00 C ATOM 46 CG GLN A 269 11.002 -21.265 -13.774 1.00 0.00 C ATOM 47 CD GLN A 269 10.167 -22.521 -13.546 1.00 0.00 C ATOM 48 OE1 GLN A 269 10.640 -23.632 -13.778 1.00 0.00 O ATOM 49 NE2 GLN A 269 8.944 -22.409 -13.103 1.00 0.00 N ATOM 0 H GLN A 269 13.780 -22.248 -14.709 1.00 0.00 H new ATOM 0 HA GLN A 269 12.935 -19.735 -14.248 1.00 0.00 H new ATOM 0 HB2 GLN A 269 12.619 -22.373 -12.858 1.00 0.00 H new ATOM 0 HB3 GLN A 269 12.112 -20.970 -11.940 1.00 0.00 H new ATOM 0 HG2 GLN A 269 10.430 -20.382 -13.491 1.00 0.00 H new ATOM 0 HG3 GLN A 269 11.241 -21.165 -14.833 1.00 0.00 H new ATOM 0 HE21 GLN A 269 8.554 -21.486 -12.911 1.00 0.00 H new ATOM 0 HE22 GLN A 269 8.379 -23.244 -12.949 1.00 0.00 H new ATOM 58 N PRO A 270 15.211 -20.452 -11.992 1.00 0.00 N ATOM 59 CA PRO A 270 16.093 -19.822 -10.978 1.00 0.00 C ATOM 60 C PRO A 270 16.971 -18.720 -11.568 1.00 0.00 C ATOM 61 O PRO A 270 17.353 -17.779 -10.873 1.00 0.00 O ATOM 62 CB PRO A 270 16.934 -20.989 -10.471 1.00 0.00 C ATOM 63 CG PRO A 270 16.079 -22.210 -10.649 1.00 0.00 C ATOM 64 CD PRO A 270 14.966 -21.858 -11.648 1.00 0.00 C ATOM 0 HA PRO A 270 15.526 -19.323 -10.192 1.00 0.00 H new ATOM 0 HB2 PRO A 270 17.863 -21.076 -11.034 1.00 0.00 H new ATOM 0 HB3 PRO A 270 17.207 -20.850 -9.425 1.00 0.00 H new ATOM 0 HG2 PRO A 270 16.675 -23.044 -11.019 1.00 0.00 H new ATOM 0 HG3 PRO A 270 15.653 -22.521 -9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 270 15.009 -22.496 -12.531 1.00 0.00 H new ATOM 0 HD3 PRO A 270 13.979 -21.992 -11.206 1.00 0.00 H new ATOM 72 N GLY A 271 17.283 -18.843 -12.854 1.00 0.00 N ATOM 73 CA GLY A 271 18.113 -17.852 -13.529 1.00 0.00 C ATOM 74 C GLY A 271 19.566 -18.313 -13.608 1.00 0.00 C ATOM 75 O GLY A 271 20.436 -17.770 -12.926 1.00 0.00 O ATOM 0 H GLY A 271 16.976 -19.614 -13.447 1.00 0.00 H new ATOM 0 HA2 GLY A 271 17.729 -17.676 -14.534 1.00 0.00 H new ATOM 0 HA3 GLY A 271 18.058 -16.903 -12.996 1.00 0.00 H new ATOM 79 N GLY A 272 19.822 -19.315 -14.444 1.00 0.00 N ATOM 80 CA GLY A 272 21.176 -19.836 -14.601 1.00 0.00 C ATOM 81 C GLY A 272 21.159 -21.271 -15.115 1.00 0.00 C ATOM 82 O GLY A 272 22.167 -21.976 -15.045 1.00 0.00 O ATOM 0 H GLY A 272 19.118 -19.779 -15.018 1.00 0.00 H new ATOM 0 HA2 GLY A 272 21.733 -19.205 -15.294 1.00 0.00 H new ATOM 0 HA3 GLY A 272 21.697 -19.796 -13.644 1.00 0.00 H new ATOM 86 N GLY A 273 20.013 -21.699 -15.634 1.00 0.00 N ATOM 87 CA GLY A 273 19.882 -23.054 -16.159 1.00 0.00 C ATOM 88 C GLY A 273 19.923 -24.082 -15.033 1.00 0.00 C ATOM 89 O GLY A 273 18.977 -24.848 -14.844 1.00 0.00 O ATOM 0 H GLY A 273 19.167 -21.133 -15.702 1.00 0.00 H new ATOM 0 HA2 GLY A 273 18.944 -23.147 -16.707 1.00 0.00 H new ATOM 0 HA3 GLY A 273 20.686 -23.253 -16.867 1.00 0.00 H new ATOM 93 N LYS A 274 21.022 -24.090 -14.285 1.00 0.00 N ATOM 94 CA LYS A 274 21.175 -25.025 -13.177 1.00 0.00 C ATOM 95 C LYS A 274 20.272 -24.623 -12.016 1.00 0.00 C ATOM 96 O LYS A 274 20.034 -23.438 -11.787 1.00 0.00 O ATOM 97 CB LYS A 274 22.632 -25.051 -12.709 1.00 0.00 C ATOM 98 CG LYS A 274 22.820 -26.179 -11.692 1.00 0.00 C ATOM 99 CD LYS A 274 24.260 -26.164 -11.171 1.00 0.00 C ATOM 100 CE LYS A 274 24.493 -27.387 -10.284 1.00 0.00 C ATOM 101 NZ LYS A 274 25.865 -27.327 -9.703 1.00 0.00 N ATOM 0 H LYS A 274 21.815 -23.464 -14.425 1.00 0.00 H new ATOM 0 HA LYS A 274 20.890 -26.019 -13.521 1.00 0.00 H new ATOM 0 HB2 LYS A 274 23.296 -25.200 -13.560 1.00 0.00 H new ATOM 0 HB3 LYS A 274 22.898 -24.094 -12.260 1.00 0.00 H new ATOM 0 HG2 LYS A 274 22.121 -26.057 -10.864 1.00 0.00 H new ATOM 0 HG3 LYS A 274 22.600 -27.141 -12.155 1.00 0.00 H new ATOM 0 HD2 LYS A 274 24.960 -26.168 -12.006 1.00 0.00 H new ATOM 0 HD3 LYS A 274 24.444 -25.251 -10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 274 23.750 -27.418 -9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 274 24.373 -28.300 -10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 26.023 -28.159 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 26.567 -27.317 -10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 25.963 -26.463 -9.133 1.00 0.00 H new ATOM 115 N VAL A 275 19.765 -25.615 -11.291 1.00 0.00 N ATOM 116 CA VAL A 275 18.882 -25.340 -10.167 1.00 0.00 C ATOM 117 C VAL A 275 19.653 -24.696 -9.019 1.00 0.00 C ATOM 118 O VAL A 275 20.693 -25.196 -8.591 1.00 0.00 O ATOM 119 CB VAL A 275 18.230 -26.638 -9.683 1.00 0.00 C ATOM 120 CG1 VAL A 275 19.308 -27.699 -9.447 1.00 0.00 C ATOM 121 CG2 VAL A 275 17.482 -26.373 -8.375 1.00 0.00 C ATOM 0 H VAL A 275 19.948 -26.604 -11.460 1.00 0.00 H new ATOM 0 HA VAL A 275 18.109 -24.648 -10.501 1.00 0.00 H new ATOM 0 HB VAL A 275 17.531 -26.996 -10.439 1.00 0.00 H new ATOM 0 HG11 VAL A 275 18.841 -28.622 -9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 275 19.842 -27.888 -10.378 1.00 0.00 H new ATOM 0 HG13 VAL A 275 20.009 -27.344 -8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 275 17.017 -27.296 -8.028 1.00 0.00 H new ATOM 0 HG22 VAL A 275 18.183 -26.015 -7.621 1.00 0.00 H new ATOM 0 HG23 VAL A 275 16.712 -25.619 -8.542 1.00 0.00 H new ATOM 131 N GLN A 276 19.129 -23.575 -8.532 1.00 0.00 N ATOM 132 CA GLN A 276 19.754 -22.842 -7.435 1.00 0.00 C ATOM 133 C GLN A 276 18.798 -22.736 -6.254 1.00 0.00 C ATOM 134 O GLN A 276 17.590 -22.918 -6.405 1.00 0.00 O ATOM 135 CB GLN A 276 20.146 -21.439 -7.903 1.00 0.00 C ATOM 136 CG GLN A 276 21.198 -21.541 -9.008 1.00 0.00 C ATOM 137 CD GLN A 276 21.557 -20.150 -9.515 1.00 0.00 C ATOM 138 OE1 GLN A 276 20.804 -19.198 -9.307 1.00 0.00 O ATOM 139 NE2 GLN A 276 22.669 -19.972 -10.174 1.00 0.00 N ATOM 0 H GLN A 276 18.269 -23.153 -8.882 1.00 0.00 H new ATOM 0 HA GLN A 276 20.647 -23.383 -7.120 1.00 0.00 H new ATOM 0 HB2 GLN A 276 19.268 -20.909 -8.271 1.00 0.00 H new ATOM 0 HB3 GLN A 276 20.539 -20.862 -7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 276 22.089 -22.040 -8.628 1.00 0.00 H new ATOM 0 HG3 GLN A 276 20.818 -22.149 -9.829 1.00 0.00 H new ATOM 0 HE21 GLN A 276 23.292 -20.761 -10.346 1.00 0.00 H new ATOM 0 HE22 GLN A 276 22.915 -19.044 -10.517 1.00 0.00 H new ATOM 148 N ILE A 277 19.340 -22.434 -5.078 1.00 0.00 N ATOM 149 CA ILE A 277 18.510 -22.301 -3.888 1.00 0.00 C ATOM 150 C ILE A 277 17.388 -21.309 -4.147 1.00 0.00 C ATOM 151 O ILE A 277 16.389 -21.284 -3.429 1.00 0.00 O ATOM 152 CB ILE A 277 19.347 -21.822 -2.703 1.00 0.00 C ATOM 153 CG1 ILE A 277 18.548 -22.002 -1.409 1.00 0.00 C ATOM 154 CG2 ILE A 277 19.696 -20.343 -2.885 1.00 0.00 C ATOM 155 CD1 ILE A 277 19.473 -21.814 -0.206 1.00 0.00 C ATOM 0 H ILE A 277 20.336 -22.279 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 277 18.087 -23.277 -3.652 1.00 0.00 H new ATOM 0 HB ILE A 277 20.266 -22.406 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 277 17.732 -21.280 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 277 18.097 -22.994 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 277 20.293 -20.003 -2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 277 20.265 -20.214 -3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 277 18.779 -19.757 -2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 277 18.903 -21.942 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 277 20.273 -22.553 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 277 19.903 -20.812 -0.230 1.00 0.00 H new ATOM 167 N ILE A 278 17.554 -20.498 -5.185 1.00 0.00 N ATOM 168 CA ILE A 278 16.542 -19.514 -5.529 1.00 0.00 C ATOM 169 C ILE A 278 15.214 -20.215 -5.766 1.00 0.00 C ATOM 170 O ILE A 278 15.167 -21.301 -6.344 1.00 0.00 O ATOM 171 CB ILE A 278 16.955 -18.747 -6.787 1.00 0.00 C ATOM 172 CG1 ILE A 278 18.288 -18.039 -6.534 1.00 0.00 C ATOM 173 CG2 ILE A 278 15.882 -17.711 -7.127 1.00 0.00 C ATOM 174 CD1 ILE A 278 18.793 -17.415 -7.837 1.00 0.00 C ATOM 0 H ILE A 278 18.371 -20.503 -5.795 1.00 0.00 H new ATOM 0 HA ILE A 278 16.439 -18.807 -4.706 1.00 0.00 H new ATOM 0 HB ILE A 278 17.064 -19.442 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 278 18.163 -17.268 -5.774 1.00 0.00 H new ATOM 0 HG13 ILE A 278 19.021 -18.749 -6.151 1.00 0.00 H new ATOM 0 HG21 ILE A 278 16.175 -17.164 -8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 278 14.932 -18.216 -7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 278 15.773 -17.014 -6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 278 19.742 -16.911 -7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 278 18.934 -18.196 -8.584 1.00 0.00 H new ATOM 0 HD13 ILE A 278 18.063 -16.692 -8.201 1.00 0.00 H new ATOM 186 N ASN A 279 14.138 -19.601 -5.297 1.00 0.00 N ATOM 187 CA ASN A 279 12.820 -20.193 -5.445 1.00 0.00 C ATOM 188 C ASN A 279 12.426 -20.249 -6.917 1.00 0.00 C ATOM 189 O ASN A 279 12.222 -19.219 -7.561 1.00 0.00 O ATOM 190 CB ASN A 279 11.800 -19.374 -4.653 1.00 0.00 C ATOM 191 CG ASN A 279 12.460 -18.798 -3.403 1.00 0.00 C ATOM 192 OD1 ASN A 279 11.933 -17.867 -2.795 1.00 0.00 O ATOM 193 ND2 ASN A 279 13.595 -19.294 -2.986 1.00 0.00 N ATOM 0 H ASN A 279 14.152 -18.702 -4.815 1.00 0.00 H new ATOM 0 HA ASN A 279 12.840 -21.211 -5.057 1.00 0.00 H new ATOM 0 HB2 ASN A 279 11.407 -18.568 -5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 279 10.954 -20.002 -4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 279 14.045 -18.909 -2.155 1.00 0.00 H new ATOM 0 HD22 ASN A 279 14.031 -20.066 -3.491 1.00 0.00 H new ATOM 200 N LYS A 280 12.330 -21.468 -7.439 1.00 0.00 N ATOM 201 CA LYS A 280 11.972 -21.677 -8.837 1.00 0.00 C ATOM 202 C LYS A 280 10.621 -21.046 -9.149 1.00 0.00 C ATOM 203 O LYS A 280 10.395 -20.547 -10.251 1.00 0.00 O ATOM 204 CB LYS A 280 11.921 -23.181 -9.123 1.00 0.00 C ATOM 205 CG LYS A 280 13.326 -23.787 -8.965 1.00 0.00 C ATOM 206 CD LYS A 280 13.223 -25.198 -8.377 1.00 0.00 C ATOM 207 CE LYS A 280 13.190 -25.110 -6.849 1.00 0.00 C ATOM 208 NZ LYS A 280 13.143 -26.483 -6.273 1.00 0.00 N ATOM 0 H LYS A 280 12.495 -22.327 -6.914 1.00 0.00 H new ATOM 0 HA LYS A 280 12.724 -21.204 -9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 280 11.226 -23.668 -8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 280 11.550 -23.357 -10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 280 13.827 -23.823 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 280 13.932 -23.156 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 280 12.323 -25.692 -8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 280 14.072 -25.801 -8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 280 14.071 -24.582 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 280 12.320 -24.539 -6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 13.121 -26.423 -5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 12.289 -26.972 -6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 13.986 -27.014 -6.571 1.00 0.00 H new ATOM 222 N LYS A 281 9.730 -21.070 -8.168 1.00 0.00 N ATOM 223 CA LYS A 281 8.402 -20.494 -8.336 1.00 0.00 C ATOM 224 C LYS A 281 8.520 -19.017 -8.711 1.00 0.00 C ATOM 225 O LYS A 281 7.602 -18.435 -9.289 1.00 0.00 O ATOM 226 CB LYS A 281 7.588 -20.653 -7.037 1.00 0.00 C ATOM 227 CG LYS A 281 8.526 -21.018 -5.878 1.00 0.00 C ATOM 228 CD LYS A 281 8.932 -22.508 -5.955 1.00 0.00 C ATOM 229 CE LYS A 281 8.407 -23.265 -4.730 1.00 0.00 C ATOM 230 NZ LYS A 281 9.106 -22.777 -3.507 1.00 0.00 N ATOM 0 H LYS A 281 9.901 -21.481 -7.250 1.00 0.00 H new ATOM 0 HA LYS A 281 7.884 -21.020 -9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 281 7.060 -19.726 -6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 281 6.832 -21.428 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 281 9.417 -20.391 -5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 281 8.032 -20.819 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 281 8.533 -22.954 -6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 281 10.017 -22.594 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 281 7.332 -23.117 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 281 8.571 -24.336 -4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 9.077 -23.514 -2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 10.096 -22.557 -3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 8.633 -21.920 -3.156 1.00 0.00 H new ATOM 244 N LEU A 282 9.660 -18.422 -8.374 1.00 0.00 N ATOM 245 CA LEU A 282 9.898 -17.014 -8.671 1.00 0.00 C ATOM 246 C LEU A 282 9.718 -16.749 -10.164 1.00 0.00 C ATOM 247 O LEU A 282 9.203 -15.705 -10.562 1.00 0.00 O ATOM 248 CB LEU A 282 11.320 -16.636 -8.247 1.00 0.00 C ATOM 249 CG LEU A 282 11.518 -15.121 -8.366 1.00 0.00 C ATOM 250 CD1 LEU A 282 10.850 -14.409 -7.184 1.00 0.00 C ATOM 251 CD2 LEU A 282 13.016 -14.807 -8.364 1.00 0.00 C ATOM 0 H LEU A 282 10.430 -18.891 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 282 9.179 -16.409 -8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 282 11.499 -16.955 -7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 282 12.045 -17.156 -8.873 1.00 0.00 H new ATOM 0 HG LEU A 282 11.066 -14.773 -9.295 1.00 0.00 H new ATOM 0 HD11 LEU A 282 10.996 -13.333 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 282 9.783 -14.631 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 282 11.295 -14.756 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 282 13.162 -13.730 -8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 282 13.461 -15.162 -7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 282 13.493 -15.305 -9.208 1.00 0.00 H new ATOM 263 N ASP A 283 10.137 -17.710 -10.983 1.00 0.00 N ATOM 264 CA ASP A 283 10.011 -17.588 -12.434 1.00 0.00 C ATOM 265 C ASP A 283 8.871 -18.464 -12.944 1.00 0.00 C ATOM 266 O ASP A 283 8.401 -19.357 -12.239 1.00 0.00 O ATOM 267 CB ASP A 283 11.324 -17.992 -13.114 1.00 0.00 C ATOM 268 CG ASP A 283 12.286 -16.808 -13.138 1.00 0.00 C ATOM 269 OD1 ASP A 283 11.949 -15.784 -12.566 1.00 0.00 O ATOM 270 OD2 ASP A 283 13.347 -16.942 -13.726 1.00 0.00 O ATOM 0 H ASP A 283 10.566 -18.580 -10.668 1.00 0.00 H new ATOM 0 HA ASP A 283 9.790 -16.548 -12.676 1.00 0.00 H new ATOM 0 HB2 ASP A 283 11.777 -18.828 -12.581 1.00 0.00 H new ATOM 0 HB3 ASP A 283 11.127 -18.331 -14.131 1.00 0.00 H new ATOM 275 N LEU A 284 8.431 -18.205 -14.171 1.00 0.00 N ATOM 276 CA LEU A 284 7.343 -18.980 -14.757 1.00 0.00 C ATOM 277 C LEU A 284 7.888 -20.289 -15.321 1.00 0.00 C ATOM 278 O LEU A 284 9.068 -20.383 -15.654 1.00 0.00 O ATOM 279 CB LEU A 284 6.665 -18.182 -15.872 1.00 0.00 C ATOM 280 CG LEU A 284 6.391 -16.756 -15.390 1.00 0.00 C ATOM 281 CD1 LEU A 284 5.709 -15.959 -16.507 1.00 0.00 C ATOM 282 CD2 LEU A 284 5.475 -16.801 -14.165 1.00 0.00 C ATOM 0 H LEU A 284 8.806 -17.473 -14.774 1.00 0.00 H new ATOM 0 HA LEU A 284 6.609 -19.197 -13.981 1.00 0.00 H new ATOM 0 HB2 LEU A 284 7.301 -18.161 -16.757 1.00 0.00 H new ATOM 0 HB3 LEU A 284 5.731 -18.664 -16.162 1.00 0.00 H new ATOM 0 HG LEU A 284 7.333 -16.275 -15.125 1.00 0.00 H new ATOM 0 HD11 LEU A 284 5.514 -14.943 -16.163 1.00 0.00 H new ATOM 0 HD12 LEU A 284 6.360 -15.927 -17.381 1.00 0.00 H new ATOM 0 HD13 LEU A 284 4.767 -16.439 -16.773 1.00 0.00 H new ATOM 0 HD21 LEU A 284 5.279 -15.786 -13.820 1.00 0.00 H new ATOM 0 HD22 LEU A 284 4.534 -17.282 -14.432 1.00 0.00 H new ATOM 0 HD23 LEU A 284 5.959 -17.367 -13.369 1.00 0.00 H new ATOM 294 N SER A 285 7.028 -21.298 -15.404 1.00 0.00 N ATOM 295 CA SER A 285 7.432 -22.610 -15.909 1.00 0.00 C ATOM 296 C SER A 285 8.035 -22.514 -17.313 1.00 0.00 C ATOM 297 O SER A 285 7.445 -22.989 -18.283 1.00 0.00 O ATOM 298 CB SER A 285 6.219 -23.542 -15.937 1.00 0.00 C ATOM 299 OG SER A 285 6.095 -24.187 -14.675 1.00 0.00 O ATOM 0 H SER A 285 6.048 -21.235 -15.129 1.00 0.00 H new ATOM 0 HA SER A 285 8.196 -23.007 -15.241 1.00 0.00 H new ATOM 0 HB2 SER A 285 5.315 -22.975 -16.159 1.00 0.00 H new ATOM 0 HB3 SER A 285 6.333 -24.283 -16.728 1.00 0.00 H new ATOM 0 HG SER A 285 5.318 -24.784 -14.688 1.00 0.00 H new ATOM 305 N ASN A 286 9.220 -21.917 -17.409 1.00 0.00 N ATOM 306 CA ASN A 286 9.910 -21.781 -18.691 1.00 0.00 C ATOM 307 C ASN A 286 9.076 -21.009 -19.718 1.00 0.00 C ATOM 308 O ASN A 286 9.622 -20.454 -20.672 1.00 0.00 O ATOM 309 CB ASN A 286 10.237 -23.167 -19.248 1.00 0.00 C ATOM 310 CG ASN A 286 10.973 -23.991 -18.197 1.00 0.00 C ATOM 311 OD1 ASN A 286 10.664 -25.166 -17.998 1.00 0.00 O ATOM 312 ND2 ASN A 286 11.934 -23.440 -17.507 1.00 0.00 N ATOM 0 H ASN A 286 9.723 -21.520 -16.616 1.00 0.00 H new ATOM 0 HA ASN A 286 10.825 -21.216 -18.511 1.00 0.00 H new ATOM 0 HB2 ASN A 286 9.319 -23.675 -19.543 1.00 0.00 H new ATOM 0 HB3 ASN A 286 10.851 -23.073 -20.144 1.00 0.00 H new ATOM 0 HD21 ASN A 286 12.431 -23.983 -16.801 1.00 0.00 H new ATOM 0 HD22 ASN A 286 12.188 -22.466 -17.674 1.00 0.00 H new ATOM 319 N VAL A 287 7.762 -20.974 -19.528 1.00 0.00 N ATOM 320 CA VAL A 287 6.886 -20.268 -20.455 1.00 0.00 C ATOM 321 C VAL A 287 7.269 -18.795 -20.551 1.00 0.00 C ATOM 322 O VAL A 287 6.945 -18.129 -21.533 1.00 0.00 O ATOM 323 CB VAL A 287 5.431 -20.397 -20.002 1.00 0.00 C ATOM 324 CG1 VAL A 287 5.234 -19.620 -18.702 1.00 0.00 C ATOM 325 CG2 VAL A 287 4.509 -19.824 -21.082 1.00 0.00 C ATOM 0 H VAL A 287 7.283 -21.422 -18.747 1.00 0.00 H new ATOM 0 HA VAL A 287 6.999 -20.719 -21.441 1.00 0.00 H new ATOM 0 HB VAL A 287 5.192 -21.448 -19.839 1.00 0.00 H new ATOM 0 HG11 VAL A 287 4.197 -19.711 -18.377 1.00 0.00 H new ATOM 0 HG12 VAL A 287 5.892 -20.025 -17.933 1.00 0.00 H new ATOM 0 HG13 VAL A 287 5.472 -18.569 -18.867 1.00 0.00 H new ATOM 0 HG21 VAL A 287 3.471 -19.915 -20.761 1.00 0.00 H new ATOM 0 HG22 VAL A 287 4.748 -18.773 -21.244 1.00 0.00 H new ATOM 0 HG23 VAL A 287 4.651 -20.376 -22.011 1.00 0.00 H new ATOM 335 N GLN A 288 7.951 -18.292 -19.525 1.00 0.00 N ATOM 336 CA GLN A 288 8.366 -16.889 -19.509 1.00 0.00 C ATOM 337 C GLN A 288 9.091 -16.518 -20.800 1.00 0.00 C ATOM 338 O GLN A 288 8.490 -16.491 -21.869 1.00 0.00 O ATOM 339 CB GLN A 288 9.291 -16.622 -18.322 1.00 0.00 C ATOM 340 CG GLN A 288 10.286 -17.778 -18.180 1.00 0.00 C ATOM 341 CD GLN A 288 11.199 -17.538 -16.983 1.00 0.00 C ATOM 342 OE1 GLN A 288 11.998 -18.403 -16.627 1.00 0.00 O ATOM 343 NE2 GLN A 288 11.127 -16.406 -16.336 1.00 0.00 N ATOM 0 H GLN A 288 8.226 -18.827 -18.701 1.00 0.00 H new ATOM 0 HA GLN A 288 7.467 -16.279 -19.419 1.00 0.00 H new ATOM 0 HB2 GLN A 288 9.826 -15.684 -18.468 1.00 0.00 H new ATOM 0 HB3 GLN A 288 8.706 -16.517 -17.408 1.00 0.00 H new ATOM 0 HG2 GLN A 288 9.748 -18.718 -18.055 1.00 0.00 H new ATOM 0 HG3 GLN A 288 10.881 -17.870 -19.089 1.00 0.00 H new ATOM 0 HE21 GLN A 288 10.464 -15.690 -16.633 1.00 0.00 H new ATOM 0 HE22 GLN A 288 11.734 -16.238 -15.534 1.00 0.00 H new ATOM 352 N SER A 289 10.386 -16.231 -20.694 1.00 0.00 N ATOM 353 CA SER A 289 11.173 -15.857 -21.863 1.00 0.00 C ATOM 354 C SER A 289 10.334 -15.022 -22.826 1.00 0.00 C ATOM 355 O SER A 289 10.296 -13.796 -22.738 1.00 0.00 O ATOM 356 CB SER A 289 11.674 -17.112 -22.578 1.00 0.00 C ATOM 357 OG SER A 289 12.406 -16.732 -23.737 1.00 0.00 O ATOM 0 H SER A 289 10.908 -16.250 -19.818 1.00 0.00 H new ATOM 0 HA SER A 289 12.025 -15.264 -21.531 1.00 0.00 H new ATOM 0 HB2 SER A 289 12.306 -17.697 -21.910 1.00 0.00 H new ATOM 0 HB3 SER A 289 10.832 -17.746 -22.857 1.00 0.00 H new ATOM 0 HG SER A 289 12.730 -17.534 -24.197 1.00 0.00 H new ATOM 363 N LYS A 290 9.659 -15.702 -23.742 1.00 0.00 N ATOM 364 CA LYS A 290 8.816 -15.031 -24.723 1.00 0.00 C ATOM 365 C LYS A 290 7.659 -14.290 -24.051 1.00 0.00 C ATOM 366 O LYS A 290 7.260 -13.213 -24.493 1.00 0.00 O ATOM 367 CB LYS A 290 8.254 -16.075 -25.686 1.00 0.00 C ATOM 368 CG LYS A 290 7.364 -17.043 -24.904 1.00 0.00 C ATOM 369 CD LYS A 290 7.135 -18.311 -25.724 1.00 0.00 C ATOM 370 CE LYS A 290 6.327 -17.973 -26.978 1.00 0.00 C ATOM 371 NZ LYS A 290 5.132 -17.168 -26.596 1.00 0.00 N ATOM 0 H LYS A 290 9.678 -16.718 -23.827 1.00 0.00 H new ATOM 0 HA LYS A 290 9.422 -14.299 -25.258 1.00 0.00 H new ATOM 0 HB2 LYS A 290 7.680 -15.589 -26.475 1.00 0.00 H new ATOM 0 HB3 LYS A 290 9.066 -16.617 -26.170 1.00 0.00 H new ATOM 0 HG2 LYS A 290 7.832 -17.294 -23.952 1.00 0.00 H new ATOM 0 HG3 LYS A 290 6.409 -16.570 -24.675 1.00 0.00 H new ATOM 0 HD2 LYS A 290 8.091 -18.753 -26.004 1.00 0.00 H new ATOM 0 HD3 LYS A 290 6.604 -19.052 -25.126 1.00 0.00 H new ATOM 0 HE2 LYS A 290 6.944 -17.416 -27.682 1.00 0.00 H new ATOM 0 HE3 LYS A 290 6.016 -18.889 -27.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 4.388 -17.290 -27.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 4.779 -17.488 -25.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 5.395 -16.163 -26.537 1.00 0.00 H new ATOM 385 N CYS A 291 7.106 -14.885 -23.001 1.00 0.00 N ATOM 386 CA CYS A 291 5.977 -14.282 -22.300 1.00 0.00 C ATOM 387 C CYS A 291 6.407 -13.138 -21.378 1.00 0.00 C ATOM 388 O CYS A 291 6.262 -11.966 -21.722 1.00 0.00 O ATOM 389 CB CYS A 291 5.250 -15.353 -21.483 1.00 0.00 C ATOM 390 SG CYS A 291 4.060 -16.212 -22.543 1.00 0.00 S ATOM 0 H CYS A 291 7.417 -15.778 -22.618 1.00 0.00 H new ATOM 0 HA CYS A 291 5.311 -13.862 -23.054 1.00 0.00 H new ATOM 0 HB2 CYS A 291 5.968 -16.063 -21.073 1.00 0.00 H new ATOM 0 HB3 CYS A 291 4.737 -14.895 -20.637 1.00 0.00 H new ATOM 0 HG CYS A 291 3.442 -17.124 -21.852 1.00 0.00 H new ATOM 396 N GLY A 292 6.904 -13.491 -20.196 1.00 0.00 N ATOM 397 CA GLY A 292 7.312 -12.490 -19.209 1.00 0.00 C ATOM 398 C GLY A 292 8.672 -11.870 -19.515 1.00 0.00 C ATOM 399 O GLY A 292 9.183 -11.082 -18.720 1.00 0.00 O ATOM 0 H GLY A 292 7.034 -14.457 -19.897 1.00 0.00 H new ATOM 0 HA2 GLY A 292 6.561 -11.701 -19.168 1.00 0.00 H new ATOM 0 HA3 GLY A 292 7.343 -12.952 -18.222 1.00 0.00 H new ATOM 403 N SER A 293 9.267 -12.214 -20.654 1.00 0.00 N ATOM 404 CA SER A 293 10.575 -11.655 -21.002 1.00 0.00 C ATOM 405 C SER A 293 10.621 -11.201 -22.461 1.00 0.00 C ATOM 406 O SER A 293 11.694 -11.137 -23.062 1.00 0.00 O ATOM 407 CB SER A 293 11.671 -12.696 -20.740 1.00 0.00 C ATOM 408 OG SER A 293 12.309 -13.042 -21.963 1.00 0.00 O ATOM 0 H SER A 293 8.878 -12.862 -21.339 1.00 0.00 H new ATOM 0 HA SER A 293 10.746 -10.779 -20.376 1.00 0.00 H new ATOM 0 HB2 SER A 293 12.403 -12.298 -20.037 1.00 0.00 H new ATOM 0 HB3 SER A 293 11.239 -13.585 -20.281 1.00 0.00 H new ATOM 0 HG SER A 293 12.636 -12.229 -22.403 1.00 0.00 H new ATOM 414 N LYS A 294 9.464 -10.871 -23.032 1.00 0.00 N ATOM 415 CA LYS A 294 9.430 -10.417 -24.417 1.00 0.00 C ATOM 416 C LYS A 294 8.050 -9.879 -24.775 1.00 0.00 C ATOM 417 O LYS A 294 7.919 -8.755 -25.259 1.00 0.00 O ATOM 418 CB LYS A 294 9.798 -11.570 -25.357 1.00 0.00 C ATOM 419 CG LYS A 294 10.438 -11.019 -26.635 1.00 0.00 C ATOM 420 CD LYS A 294 11.933 -10.779 -26.399 1.00 0.00 C ATOM 421 CE LYS A 294 12.597 -10.363 -27.712 1.00 0.00 C ATOM 422 NZ LYS A 294 11.819 -9.254 -28.333 1.00 0.00 N ATOM 0 H LYS A 294 8.557 -10.908 -22.567 1.00 0.00 H new ATOM 0 HA LYS A 294 10.157 -9.613 -24.532 1.00 0.00 H new ATOM 0 HB2 LYS A 294 10.489 -12.250 -24.859 1.00 0.00 H new ATOM 0 HB3 LYS A 294 8.907 -12.146 -25.606 1.00 0.00 H new ATOM 0 HG2 LYS A 294 10.297 -11.722 -27.456 1.00 0.00 H new ATOM 0 HG3 LYS A 294 9.951 -10.088 -26.925 1.00 0.00 H new ATOM 0 HD2 LYS A 294 12.073 -10.003 -25.647 1.00 0.00 H new ATOM 0 HD3 LYS A 294 12.401 -11.685 -26.014 1.00 0.00 H new ATOM 0 HE2 LYS A 294 13.623 -10.043 -27.528 1.00 0.00 H new ATOM 0 HE3 LYS A 294 12.645 -11.213 -28.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 12.419 -8.749 -29.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 10.990 -9.644 -28.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 11.504 -8.594 -27.593 1.00 0.00 H new ATOM 436 N ASP A 295 7.020 -10.682 -24.530 1.00 0.00 N ATOM 437 CA ASP A 295 5.655 -10.264 -24.828 1.00 0.00 C ATOM 438 C ASP A 295 4.997 -9.626 -23.606 1.00 0.00 C ATOM 439 O ASP A 295 4.816 -8.411 -23.554 1.00 0.00 O ATOM 440 CB ASP A 295 4.828 -11.465 -25.289 1.00 0.00 C ATOM 441 CG ASP A 295 5.336 -11.959 -26.638 1.00 0.00 C ATOM 442 OD1 ASP A 295 6.112 -11.247 -27.253 1.00 0.00 O ATOM 443 OD2 ASP A 295 4.940 -13.042 -27.039 1.00 0.00 O ATOM 0 H ASP A 295 7.102 -11.617 -24.130 1.00 0.00 H new ATOM 0 HA ASP A 295 5.695 -9.522 -25.625 1.00 0.00 H new ATOM 0 HB2 ASP A 295 4.891 -12.265 -24.552 1.00 0.00 H new ATOM 0 HB3 ASP A 295 3.777 -11.186 -25.367 1.00 0.00 H new ATOM 448 N ASN A 296 4.628 -10.457 -22.631 1.00 0.00 N ATOM 449 CA ASN A 296 3.973 -9.965 -21.419 1.00 0.00 C ATOM 450 C ASN A 296 4.834 -8.933 -20.687 1.00 0.00 C ATOM 451 O ASN A 296 4.305 -8.013 -20.062 1.00 0.00 O ATOM 452 CB ASN A 296 3.657 -11.133 -20.481 1.00 0.00 C ATOM 453 CG ASN A 296 2.676 -12.088 -21.151 1.00 0.00 C ATOM 454 OD1 ASN A 296 1.923 -11.685 -22.037 1.00 0.00 O ATOM 455 ND2 ASN A 296 2.641 -13.339 -20.781 1.00 0.00 N ATOM 0 H ASN A 296 4.770 -11.467 -22.656 1.00 0.00 H new ATOM 0 HA ASN A 296 3.047 -9.476 -21.721 1.00 0.00 H new ATOM 0 HB2 ASN A 296 4.575 -11.662 -20.224 1.00 0.00 H new ATOM 0 HB3 ASN A 296 3.234 -10.758 -19.549 1.00 0.00 H new ATOM 0 HD21 ASN A 296 1.989 -13.984 -21.226 1.00 0.00 H new ATOM 0 HD22 ASN A 296 3.266 -13.671 -20.046 1.00 0.00 H new ATOM 462 N ILE A 297 6.155 -9.084 -20.759 1.00 0.00 N ATOM 463 CA ILE A 297 7.050 -8.142 -20.085 1.00 0.00 C ATOM 464 C ILE A 297 6.674 -6.714 -20.455 1.00 0.00 C ATOM 465 O ILE A 297 7.001 -5.767 -19.740 1.00 0.00 O ATOM 466 CB ILE A 297 8.508 -8.427 -20.467 1.00 0.00 C ATOM 467 CG1 ILE A 297 9.470 -7.606 -19.576 1.00 0.00 C ATOM 468 CG2 ILE A 297 8.732 -8.115 -21.952 1.00 0.00 C ATOM 469 CD1 ILE A 297 9.875 -6.287 -20.249 1.00 0.00 C ATOM 0 H ILE A 297 6.624 -9.834 -21.267 1.00 0.00 H new ATOM 0 HA ILE A 297 6.946 -8.265 -19.007 1.00 0.00 H new ATOM 0 HB ILE A 297 8.718 -9.484 -20.303 1.00 0.00 H new ATOM 0 HG12 ILE A 297 8.991 -7.395 -18.620 1.00 0.00 H new ATOM 0 HG13 ILE A 297 10.362 -8.195 -19.363 1.00 0.00 H new ATOM 0 HG21 ILE A 297 9.770 -8.320 -22.214 1.00 0.00 H new ATOM 0 HG22 ILE A 297 8.074 -8.738 -22.558 1.00 0.00 H new ATOM 0 HG23 ILE A 297 8.511 -7.064 -22.140 1.00 0.00 H new ATOM 0 HD11 ILE A 297 10.551 -5.737 -19.594 1.00 0.00 H new ATOM 0 HD12 ILE A 297 10.377 -6.499 -21.193 1.00 0.00 H new ATOM 0 HD13 ILE A 297 8.985 -5.687 -20.438 1.00 0.00 H new ATOM 481 N LYS A 298 5.970 -6.573 -21.571 1.00 0.00 N ATOM 482 CA LYS A 298 5.534 -5.261 -22.028 1.00 0.00 C ATOM 483 C LYS A 298 4.838 -4.530 -20.890 1.00 0.00 C ATOM 484 O LYS A 298 4.592 -3.326 -20.959 1.00 0.00 O ATOM 485 CB LYS A 298 4.564 -5.428 -23.197 1.00 0.00 C ATOM 486 CG LYS A 298 3.297 -6.133 -22.700 1.00 0.00 C ATOM 487 CD LYS A 298 2.375 -6.435 -23.883 1.00 0.00 C ATOM 488 CE LYS A 298 0.996 -6.844 -23.363 1.00 0.00 C ATOM 489 NZ LYS A 298 0.167 -7.345 -24.495 1.00 0.00 N ATOM 0 H LYS A 298 5.690 -7.347 -22.173 1.00 0.00 H new ATOM 0 HA LYS A 298 6.399 -4.683 -22.352 1.00 0.00 H new ATOM 0 HB2 LYS A 298 4.312 -4.455 -23.619 1.00 0.00 H new ATOM 0 HB3 LYS A 298 5.030 -6.009 -23.993 1.00 0.00 H new ATOM 0 HG2 LYS A 298 3.562 -7.058 -22.188 1.00 0.00 H new ATOM 0 HG3 LYS A 298 2.780 -5.504 -21.975 1.00 0.00 H new ATOM 0 HD2 LYS A 298 2.288 -5.557 -24.524 1.00 0.00 H new ATOM 0 HD3 LYS A 298 2.797 -7.234 -24.492 1.00 0.00 H new ATOM 0 HE2 LYS A 298 1.097 -7.618 -22.602 1.00 0.00 H new ATOM 0 HE3 LYS A 298 0.507 -5.993 -22.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -0.771 -7.623 -24.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 0.060 -6.594 -25.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 0.632 -8.168 -24.928 1.00 0.00 H new ATOM 503 N HIS A 299 4.520 -5.282 -19.844 1.00 0.00 N ATOM 504 CA HIS A 299 3.844 -4.730 -18.681 1.00 0.00 C ATOM 505 C HIS A 299 4.848 -4.215 -17.660 1.00 0.00 C ATOM 506 O HIS A 299 6.053 -4.165 -17.910 1.00 0.00 O ATOM 507 CB HIS A 299 2.988 -5.814 -18.015 1.00 0.00 C ATOM 508 CG HIS A 299 3.880 -6.780 -17.278 1.00 0.00 C ATOM 509 ND1 HIS A 299 4.812 -6.365 -16.341 1.00 0.00 N ATOM 510 CD2 HIS A 299 4.000 -8.138 -17.341 1.00 0.00 C ATOM 511 CE1 HIS A 299 5.446 -7.450 -15.889 1.00 0.00 C ATOM 512 NE2 HIS A 299 4.992 -8.565 -16.465 1.00 0.00 N ATOM 0 H HIS A 299 4.721 -6.280 -19.779 1.00 0.00 H new ATOM 0 HA HIS A 299 3.218 -3.904 -19.018 1.00 0.00 H new ATOM 0 HB2 HIS A 299 2.279 -5.358 -17.324 1.00 0.00 H new ATOM 0 HB3 HIS A 299 2.404 -6.344 -18.767 1.00 0.00 H new ATOM 0 HD2 HIS A 299 3.412 -8.784 -17.976 1.00 0.00 H new ATOM 0 HE1 HIS A 299 6.231 -7.428 -15.147 1.00 0.00 H new ATOM 0 HE2 HIS A 299 5.304 -9.522 -16.299 1.00 0.00 H new ATOM 521 N VAL A 300 4.321 -3.875 -16.494 1.00 0.00 N ATOM 522 CA VAL A 300 5.131 -3.404 -15.385 1.00 0.00 C ATOM 523 C VAL A 300 4.218 -3.016 -14.233 1.00 0.00 C ATOM 524 O VAL A 300 3.902 -1.843 -14.040 1.00 0.00 O ATOM 525 CB VAL A 300 6.003 -2.224 -15.807 1.00 0.00 C ATOM 526 CG1 VAL A 300 5.179 -1.219 -16.620 1.00 0.00 C ATOM 527 CG2 VAL A 300 6.573 -1.532 -14.562 1.00 0.00 C ATOM 0 H VAL A 300 3.322 -3.918 -16.292 1.00 0.00 H new ATOM 0 HA VAL A 300 5.798 -4.204 -15.064 1.00 0.00 H new ATOM 0 HB VAL A 300 6.821 -2.594 -16.425 1.00 0.00 H new ATOM 0 HG11 VAL A 300 5.813 -0.383 -16.915 1.00 0.00 H new ATOM 0 HG12 VAL A 300 4.786 -1.708 -17.511 1.00 0.00 H new ATOM 0 HG13 VAL A 300 4.352 -0.851 -16.013 1.00 0.00 H new ATOM 0 HG21 VAL A 300 7.195 -0.690 -14.866 1.00 0.00 H new ATOM 0 HG22 VAL A 300 5.754 -1.172 -13.939 1.00 0.00 H new ATOM 0 HG23 VAL A 300 7.175 -2.242 -13.995 1.00 0.00 H new ATOM 537 N PRO A 301 3.770 -3.984 -13.480 1.00 0.00 N ATOM 538 CA PRO A 301 2.854 -3.719 -12.349 1.00 0.00 C ATOM 539 C PRO A 301 3.247 -2.464 -11.583 1.00 0.00 C ATOM 540 O PRO A 301 4.428 -2.216 -11.336 1.00 0.00 O ATOM 541 CB PRO A 301 2.984 -4.983 -11.515 1.00 0.00 C ATOM 542 CG PRO A 301 3.144 -6.064 -12.534 1.00 0.00 C ATOM 543 CD PRO A 301 3.858 -5.432 -13.734 1.00 0.00 C ATOM 0 HA PRO A 301 1.827 -3.520 -12.656 1.00 0.00 H new ATOM 0 HB2 PRO A 301 3.842 -4.934 -10.845 1.00 0.00 H new ATOM 0 HB3 PRO A 301 2.103 -5.145 -10.894 1.00 0.00 H new ATOM 0 HG2 PRO A 301 3.724 -6.894 -12.131 1.00 0.00 H new ATOM 0 HG3 PRO A 301 2.174 -6.466 -12.828 1.00 0.00 H new ATOM 0 HD2 PRO A 301 4.894 -5.763 -13.801 1.00 0.00 H new ATOM 0 HD3 PRO A 301 3.375 -5.702 -14.673 1.00 0.00 H new ATOM 551 N GLY A 302 2.249 -1.658 -11.246 1.00 0.00 N ATOM 552 CA GLY A 302 2.496 -0.406 -10.549 1.00 0.00 C ATOM 553 C GLY A 302 2.644 0.712 -11.574 1.00 0.00 C ATOM 554 O GLY A 302 2.970 1.850 -11.236 1.00 0.00 O ATOM 0 H GLY A 302 1.267 -1.848 -11.443 1.00 0.00 H new ATOM 0 HA2 GLY A 302 1.674 -0.186 -9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 302 3.399 -0.484 -9.944 1.00 0.00 H new ATOM 558 N GLY A 303 2.401 0.358 -12.833 1.00 0.00 N ATOM 559 CA GLY A 303 2.503 1.307 -13.935 1.00 0.00 C ATOM 560 C GLY A 303 2.291 0.600 -15.272 1.00 0.00 C ATOM 561 O GLY A 303 2.214 1.240 -16.321 1.00 0.00 O ATOM 0 H GLY A 303 2.131 -0.584 -13.115 1.00 0.00 H new ATOM 0 HA2 GLY A 303 1.761 2.096 -13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 303 3.482 1.785 -13.921 1.00 0.00 H new ATOM 565 N GLY A 304 2.194 -0.729 -15.223 1.00 0.00 N ATOM 566 CA GLY A 304 1.987 -1.526 -16.432 1.00 0.00 C ATOM 567 C GLY A 304 0.511 -1.569 -16.806 1.00 0.00 C ATOM 568 O GLY A 304 -0.305 -0.841 -16.240 1.00 0.00 O ATOM 0 H GLY A 304 2.255 -1.274 -14.363 1.00 0.00 H new ATOM 0 HA2 GLY A 304 2.563 -1.103 -17.255 1.00 0.00 H new ATOM 0 HA3 GLY A 304 2.356 -2.539 -16.273 1.00 0.00 H new ATOM 572 N SER A 305 0.175 -2.428 -17.761 1.00 0.00 N ATOM 573 CA SER A 305 -1.208 -2.560 -18.202 1.00 0.00 C ATOM 574 C SER A 305 -2.042 -3.218 -17.111 1.00 0.00 C ATOM 575 O SER A 305 -3.220 -3.519 -17.310 1.00 0.00 O ATOM 576 CB SER A 305 -1.272 -3.400 -19.477 1.00 0.00 C ATOM 577 OG SER A 305 -1.207 -4.778 -19.135 1.00 0.00 O ATOM 0 H SER A 305 0.835 -3.039 -18.242 1.00 0.00 H new ATOM 0 HA SER A 305 -1.608 -1.567 -18.408 1.00 0.00 H new ATOM 0 HB2 SER A 305 -2.195 -3.191 -20.018 1.00 0.00 H new ATOM 0 HB3 SER A 305 -0.447 -3.139 -20.140 1.00 0.00 H new ATOM 0 HG SER A 305 -1.561 -5.316 -19.874 1.00 0.00 H new ATOM 583 N VAL A 306 -1.419 -3.441 -15.959 1.00 0.00 N ATOM 584 CA VAL A 306 -2.106 -4.069 -14.838 1.00 0.00 C ATOM 585 C VAL A 306 -2.614 -5.450 -15.230 1.00 0.00 C ATOM 586 O VAL A 306 -3.424 -6.049 -14.523 1.00 0.00 O ATOM 587 CB VAL A 306 -3.282 -3.197 -14.395 1.00 0.00 C ATOM 588 CG1 VAL A 306 -3.641 -3.523 -12.943 1.00 0.00 C ATOM 589 CG2 VAL A 306 -2.892 -1.722 -14.503 1.00 0.00 C ATOM 0 H VAL A 306 -0.445 -3.198 -15.778 1.00 0.00 H new ATOM 0 HA VAL A 306 -1.401 -4.174 -14.014 1.00 0.00 H new ATOM 0 HB VAL A 306 -4.142 -3.394 -15.036 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -4.479 -2.902 -12.627 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -3.919 -4.574 -12.864 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -2.781 -3.326 -12.303 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -3.730 -1.100 -14.187 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -2.032 -1.525 -13.862 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -2.636 -1.488 -15.536 1.00 0.00 H new ATOM 599 N GLN A 307 -2.127 -5.957 -16.359 1.00 0.00 N ATOM 600 CA GLN A 307 -2.538 -7.277 -16.825 1.00 0.00 C ATOM 601 C GLN A 307 -2.168 -8.335 -15.789 1.00 0.00 C ATOM 602 O GLN A 307 -2.926 -9.273 -15.541 1.00 0.00 O ATOM 603 CB GLN A 307 -1.860 -7.592 -18.161 1.00 0.00 C ATOM 604 CG GLN A 307 -0.354 -7.364 -18.037 1.00 0.00 C ATOM 605 CD GLN A 307 0.325 -7.641 -19.374 1.00 0.00 C ATOM 606 OE1 GLN A 307 0.645 -8.789 -19.684 1.00 0.00 O ATOM 607 NE2 GLN A 307 0.568 -6.651 -20.189 1.00 0.00 N ATOM 0 H GLN A 307 -1.456 -5.481 -16.961 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.619 -7.284 -16.965 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -2.059 -8.625 -18.447 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -2.271 -6.958 -18.947 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -0.157 -6.338 -17.725 1.00 0.00 H new ATOM 0 HG3 GLN A 307 0.059 -8.016 -17.267 1.00 0.00 H new ATOM 0 HE21 GLN A 307 0.302 -5.701 -19.931 1.00 0.00 H new ATOM 0 HE22 GLN A 307 1.024 -6.828 -21.084 1.00 0.00 H new ATOM 616 N ILE A 308 -0.997 -8.164 -15.181 1.00 0.00 N ATOM 617 CA ILE A 308 -0.515 -9.087 -14.156 1.00 0.00 C ATOM 618 C ILE A 308 -0.089 -8.309 -12.917 1.00 0.00 C ATOM 619 O ILE A 308 0.010 -7.084 -12.956 1.00 0.00 O ATOM 620 CB ILE A 308 0.663 -9.899 -14.691 1.00 0.00 C ATOM 621 CG1 ILE A 308 1.758 -8.947 -15.211 1.00 0.00 C ATOM 622 CG2 ILE A 308 0.178 -10.810 -15.824 1.00 0.00 C ATOM 623 CD1 ILE A 308 2.856 -8.793 -14.158 1.00 0.00 C ATOM 0 H ILE A 308 -0.362 -7.392 -15.381 1.00 0.00 H new ATOM 0 HA ILE A 308 -1.321 -9.770 -13.889 1.00 0.00 H new ATOM 0 HB ILE A 308 1.079 -10.511 -13.890 1.00 0.00 H new ATOM 0 HG12 ILE A 308 2.182 -9.337 -16.137 1.00 0.00 H new ATOM 0 HG13 ILE A 308 1.326 -7.974 -15.443 1.00 0.00 H new ATOM 0 HG21 ILE A 308 1.017 -11.391 -16.208 1.00 0.00 H new ATOM 0 HG22 ILE A 308 -0.588 -11.486 -15.445 1.00 0.00 H new ATOM 0 HG23 ILE A 308 -0.240 -10.202 -16.626 1.00 0.00 H new ATOM 0 HD11 ILE A 308 3.627 -8.119 -14.532 1.00 0.00 H new ATOM 0 HD12 ILE A 308 2.428 -8.383 -13.243 1.00 0.00 H new ATOM 0 HD13 ILE A 308 3.297 -9.767 -13.947 1.00 0.00 H new ATOM 635 N VAL A 309 0.148 -9.015 -11.810 1.00 0.00 N ATOM 636 CA VAL A 309 0.550 -8.346 -10.571 1.00 0.00 C ATOM 637 C VAL A 309 1.829 -8.940 -9.970 1.00 0.00 C ATOM 638 O VAL A 309 2.239 -8.536 -8.881 1.00 0.00 O ATOM 639 CB VAL A 309 -0.579 -8.450 -9.545 1.00 0.00 C ATOM 640 CG1 VAL A 309 -1.868 -7.881 -10.145 1.00 0.00 C ATOM 641 CG2 VAL A 309 -0.797 -9.917 -9.172 1.00 0.00 C ATOM 0 H VAL A 309 0.071 -10.030 -11.745 1.00 0.00 H new ATOM 0 HA VAL A 309 0.754 -7.304 -10.819 1.00 0.00 H new ATOM 0 HB VAL A 309 -0.311 -7.884 -8.653 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -2.673 -7.955 -9.414 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -1.715 -6.835 -10.411 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -2.135 -8.447 -11.037 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -1.602 -9.991 -8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -1.064 -10.483 -10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 309 0.120 -10.324 -8.745 1.00 0.00 H new ATOM 651 N TYR A 310 2.461 -9.898 -10.653 1.00 0.00 N ATOM 652 CA TYR A 310 3.682 -10.504 -10.108 1.00 0.00 C ATOM 653 C TYR A 310 4.948 -9.776 -10.580 1.00 0.00 C ATOM 654 O TYR A 310 6.041 -10.072 -10.098 1.00 0.00 O ATOM 655 CB TYR A 310 3.770 -12.004 -10.462 1.00 0.00 C ATOM 656 CG TYR A 310 2.847 -12.344 -11.607 1.00 0.00 C ATOM 657 CD1 TYR A 310 1.460 -12.246 -11.447 1.00 0.00 C ATOM 658 CD2 TYR A 310 3.383 -12.781 -12.823 1.00 0.00 C ATOM 659 CE1 TYR A 310 0.609 -12.584 -12.507 1.00 0.00 C ATOM 660 CE2 TYR A 310 2.535 -13.120 -13.881 1.00 0.00 C ATOM 661 CZ TYR A 310 1.147 -13.022 -13.724 1.00 0.00 C ATOM 662 OH TYR A 310 0.308 -13.356 -14.768 1.00 0.00 O ATOM 0 H TYR A 310 2.161 -10.263 -11.557 1.00 0.00 H new ATOM 0 HA TYR A 310 3.622 -10.403 -9.024 1.00 0.00 H new ATOM 0 HB2 TYR A 310 4.796 -12.259 -10.729 1.00 0.00 H new ATOM 0 HB3 TYR A 310 3.509 -12.603 -9.590 1.00 0.00 H new ATOM 0 HD1 TYR A 310 1.046 -11.910 -10.508 1.00 0.00 H new ATOM 0 HD2 TYR A 310 4.453 -12.857 -12.944 1.00 0.00 H new ATOM 0 HE1 TYR A 310 -0.461 -12.507 -12.386 1.00 0.00 H new ATOM 0 HE2 TYR A 310 2.950 -13.457 -14.819 1.00 0.00 H new ATOM 0 HH TYR A 310 0.842 -13.639 -15.539 1.00 0.00 H new ATOM 672 N LYS A 311 4.806 -8.832 -11.510 1.00 0.00 N ATOM 673 CA LYS A 311 5.966 -8.087 -12.009 1.00 0.00 C ATOM 674 C LYS A 311 7.200 -8.991 -12.080 1.00 0.00 C ATOM 675 O LYS A 311 8.179 -8.780 -11.364 1.00 0.00 O ATOM 676 CB LYS A 311 6.259 -6.877 -11.102 1.00 0.00 C ATOM 677 CG LYS A 311 5.775 -7.152 -9.674 1.00 0.00 C ATOM 678 CD LYS A 311 6.002 -5.908 -8.814 1.00 0.00 C ATOM 679 CE LYS A 311 5.531 -6.183 -7.384 1.00 0.00 C ATOM 680 NZ LYS A 311 5.936 -5.053 -6.501 1.00 0.00 N ATOM 0 H LYS A 311 3.915 -8.566 -11.929 1.00 0.00 H new ATOM 0 HA LYS A 311 5.733 -7.731 -13.013 1.00 0.00 H new ATOM 0 HB2 LYS A 311 7.329 -6.669 -11.097 1.00 0.00 H new ATOM 0 HB3 LYS A 311 5.764 -5.990 -11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 311 4.717 -7.415 -9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 311 6.312 -8.002 -9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 311 7.059 -5.640 -8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 311 5.458 -5.060 -9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 311 4.448 -6.304 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 311 5.963 -7.115 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 5.616 -5.240 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 6.972 -4.958 -6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 5.503 -4.172 -6.844 1.00 0.00 H new ATOM 694 N PRO A 312 7.164 -9.988 -12.924 1.00 0.00 N ATOM 695 CA PRO A 312 8.298 -10.937 -13.082 1.00 0.00 C ATOM 696 C PRO A 312 9.654 -10.244 -12.972 1.00 0.00 C ATOM 697 O PRO A 312 10.627 -10.928 -12.707 1.00 0.00 O ATOM 698 CB PRO A 312 8.081 -11.501 -14.483 1.00 0.00 C ATOM 699 CG PRO A 312 6.600 -11.473 -14.690 1.00 0.00 C ATOM 700 CD PRO A 312 6.040 -10.359 -13.795 1.00 0.00 C ATOM 701 OXT PRO A 312 9.696 -9.038 -13.154 1.00 0.00 O ATOM 0 HA PRO A 312 8.316 -11.698 -12.302 1.00 0.00 H new ATOM 0 HB2 PRO A 312 8.595 -10.901 -15.234 1.00 0.00 H new ATOM 0 HB3 PRO A 312 8.471 -12.516 -14.564 1.00 0.00 H new ATOM 0 HG2 PRO A 312 6.361 -11.283 -15.736 1.00 0.00 H new ATOM 0 HG3 PRO A 312 6.157 -12.435 -14.431 1.00 0.00 H new ATOM 0 HD2 PRO A 312 5.698 -9.509 -14.386 1.00 0.00 H new ATOM 0 HD3 PRO A 312 5.186 -10.708 -13.214 1.00 0.00 H new TER 709 PRO A 312