USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=12 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 293 SER OG : rot -136:sc= -1.82! USER MOD Set 1.2: A 299 HIS : no HD1:sc= -6.65! C(o=-8.5!,f=-7.4!) USER MOD Set 2.1: A 269 GLN : amide:sc= -2.63! K(o=-3.9!,f=1.8) USER MOD Set 2.2: A 280 LYS NZ :NH3+ -105:sc= -1.28 (180deg=0) USER MOD Single : A 267 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0365) USER MOD Single : A 268 HIS : no HD1:sc= 0.234 K(o=0.23,f=-1.9!) USER MOD Single : A 274 LYS NZ :NH3+ -169:sc= -0.43 (180deg=-0.901) USER MOD Single : A 276 GLN : amide:sc= -17.6! C(o=-18!,f=-13!) USER MOD Single : A 279 ASN : amide:sc= -3.3! C(o=-3.3!,f=-6.8!) USER MOD Single : A 281 LYS NZ :NH3+ -140:sc= -0.801 (180deg=-3.25!) USER MOD Single : A 285 SER OG : rot 180:sc= -1.03! USER MOD Single : A 286 ASN : amide:sc= -0.703 K(o=-0.7,f=-2.5!) USER MOD Single : A 288 GLN : amide:sc= 0.76 K(o=0.76,f=-0.8) USER MOD Single : A 289 SER OG : rot 180:sc= 0 USER MOD Single : A 290 LYS NZ :NH3+ -106:sc= -2.31 (180deg=-5.96!) USER MOD Single : A 291 CYS SG : rot 170:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ 141:sc= -0.783 (180deg=-2.35) USER MOD Single : A 296 ASN : amide:sc= -4.26! C(o=-4.3!,f=-3.5!) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= -0.0365 X(o=-0.037,f=-0.024) 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 13.650 13.608 -20.002 1.00 0.00 N ATOM 2 CA LYS A 267 12.873 12.721 -20.860 1.00 0.00 C ATOM 3 C LYS A 267 13.660 12.365 -22.117 1.00 0.00 C ATOM 4 O LYS A 267 13.220 11.548 -22.925 1.00 0.00 O ATOM 5 CB LYS A 267 11.559 13.395 -21.255 1.00 0.00 C ATOM 6 CG LYS A 267 10.706 13.626 -20.006 1.00 0.00 C ATOM 7 CD LYS A 267 9.345 14.189 -20.417 1.00 0.00 C ATOM 8 CE LYS A 267 8.537 14.536 -19.165 1.00 0.00 C ATOM 9 NZ LYS A 267 8.041 13.283 -18.530 1.00 0.00 N ATOM 0 HA LYS A 267 12.661 11.807 -20.306 1.00 0.00 H new ATOM 0 HB2 LYS A 267 11.760 14.344 -21.751 1.00 0.00 H new ATOM 0 HB3 LYS A 267 11.018 12.772 -21.967 1.00 0.00 H new ATOM 0 HG2 LYS A 267 10.576 12.690 -19.463 1.00 0.00 H new ATOM 0 HG3 LYS A 267 11.210 14.318 -19.331 1.00 0.00 H new ATOM 0 HD2 LYS A 267 9.478 15.077 -21.034 1.00 0.00 H new ATOM 0 HD3 LYS A 267 8.805 13.459 -21.021 1.00 0.00 H new ATOM 0 HE2 LYS A 267 9.157 15.092 -18.462 1.00 0.00 H new ATOM 0 HE3 LYS A 267 7.698 15.180 -19.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 7.409 13.521 -17.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 7.520 12.720 -19.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 8.848 12.731 -18.174 1.00 0.00 H new ATOM 23 N HIS A 268 14.827 12.986 -22.276 1.00 0.00 N ATOM 24 CA HIS A 268 15.671 12.729 -23.441 1.00 0.00 C ATOM 25 C HIS A 268 16.963 12.036 -23.023 1.00 0.00 C ATOM 26 O HIS A 268 17.453 12.230 -21.911 1.00 0.00 O ATOM 27 CB HIS A 268 16.004 14.048 -24.141 1.00 0.00 C ATOM 28 CG HIS A 268 16.843 14.900 -23.229 1.00 0.00 C ATOM 29 ND1 HIS A 268 16.314 15.530 -22.113 1.00 0.00 N ATOM 30 CD2 HIS A 268 18.174 15.237 -23.254 1.00 0.00 C ATOM 31 CE1 HIS A 268 17.314 16.206 -21.517 1.00 0.00 C ATOM 32 NE2 HIS A 268 18.469 16.061 -22.174 1.00 0.00 N ATOM 0 H HIS A 268 15.208 13.666 -21.618 1.00 0.00 H new ATOM 0 HA HIS A 268 15.127 12.078 -24.126 1.00 0.00 H new ATOM 0 HB2 HIS A 268 16.540 13.854 -25.070 1.00 0.00 H new ATOM 0 HB3 HIS A 268 15.087 14.574 -24.406 1.00 0.00 H new ATOM 0 HD2 HIS A 268 18.884 14.911 -24.000 1.00 0.00 H new ATOM 0 HE1 HIS A 268 17.197 16.793 -20.618 1.00 0.00 H new ATOM 0 HE2 HIS A 268 19.373 16.468 -21.934 1.00 0.00 H new ATOM 41 N GLN A 269 17.509 11.227 -23.925 1.00 0.00 N ATOM 42 CA GLN A 269 18.746 10.509 -23.645 1.00 0.00 C ATOM 43 C GLN A 269 19.952 11.430 -23.844 1.00 0.00 C ATOM 44 O GLN A 269 19.951 12.284 -24.730 1.00 0.00 O ATOM 45 CB GLN A 269 18.851 9.287 -24.567 1.00 0.00 C ATOM 46 CG GLN A 269 18.066 9.551 -25.853 1.00 0.00 C ATOM 47 CD GLN A 269 18.403 8.492 -26.897 1.00 0.00 C ATOM 48 OE1 GLN A 269 17.923 8.559 -28.029 1.00 0.00 O ATOM 49 NE2 GLN A 269 19.207 7.513 -26.585 1.00 0.00 N ATOM 0 H GLN A 269 17.117 11.053 -24.850 1.00 0.00 H new ATOM 0 HA GLN A 269 18.737 10.174 -22.608 1.00 0.00 H new ATOM 0 HB2 GLN A 269 19.896 9.083 -24.801 1.00 0.00 H new ATOM 0 HB3 GLN A 269 18.459 8.403 -24.064 1.00 0.00 H new ATOM 0 HG2 GLN A 269 16.996 9.540 -25.644 1.00 0.00 H new ATOM 0 HG3 GLN A 269 18.306 10.542 -26.238 1.00 0.00 H new ATOM 0 HE21 GLN A 269 19.604 7.458 -25.647 1.00 0.00 H new ATOM 0 HE22 GLN A 269 19.438 6.802 -27.279 1.00 0.00 H new ATOM 58 N PRO A 270 20.969 11.275 -23.036 1.00 0.00 N ATOM 59 CA PRO A 270 22.201 12.120 -23.128 1.00 0.00 C ATOM 60 C PRO A 270 22.849 12.044 -24.505 1.00 0.00 C ATOM 61 O PRO A 270 23.737 12.835 -24.825 1.00 0.00 O ATOM 62 CB PRO A 270 23.120 11.516 -22.071 1.00 0.00 C ATOM 63 CG PRO A 270 22.743 10.078 -22.056 1.00 0.00 C ATOM 64 CD PRO A 270 21.230 10.051 -22.255 1.00 0.00 C ATOM 0 HA PRO A 270 21.987 13.177 -22.972 1.00 0.00 H new ATOM 0 HB2 PRO A 270 24.170 11.652 -22.329 1.00 0.00 H new ATOM 0 HB3 PRO A 270 22.968 11.980 -21.096 1.00 0.00 H new ATOM 0 HG2 PRO A 270 23.253 9.530 -22.849 1.00 0.00 H new ATOM 0 HG3 PRO A 270 23.023 9.609 -21.113 1.00 0.00 H new ATOM 0 HD2 PRO A 270 20.910 9.157 -22.790 1.00 0.00 H new ATOM 0 HD3 PRO A 270 20.699 10.060 -21.303 1.00 0.00 H new ATOM 72 N GLY A 271 22.404 11.086 -25.314 1.00 0.00 N ATOM 73 CA GLY A 271 22.956 10.920 -26.654 1.00 0.00 C ATOM 74 C GLY A 271 23.257 12.279 -27.267 1.00 0.00 C ATOM 75 O GLY A 271 24.123 12.409 -28.131 1.00 0.00 O ATOM 0 H GLY A 271 21.671 10.420 -25.068 1.00 0.00 H new ATOM 0 HA2 GLY A 271 23.867 10.323 -26.609 1.00 0.00 H new ATOM 0 HA3 GLY A 271 22.250 10.377 -27.282 1.00 0.00 H new ATOM 79 N GLY A 272 22.538 13.291 -26.797 1.00 0.00 N ATOM 80 CA GLY A 272 22.732 14.648 -27.282 1.00 0.00 C ATOM 81 C GLY A 272 23.633 15.430 -26.334 1.00 0.00 C ATOM 82 O GLY A 272 24.844 15.209 -26.289 1.00 0.00 O ATOM 0 H GLY A 272 21.817 13.196 -26.082 1.00 0.00 H new ATOM 0 HA2 GLY A 272 23.175 14.625 -28.278 1.00 0.00 H new ATOM 0 HA3 GLY A 272 21.768 15.149 -27.373 1.00 0.00 H new ATOM 86 N GLY A 273 23.035 16.339 -25.571 1.00 0.00 N ATOM 87 CA GLY A 273 23.797 17.141 -24.619 1.00 0.00 C ATOM 88 C GLY A 273 23.949 16.400 -23.295 1.00 0.00 C ATOM 89 O GLY A 273 23.309 15.372 -23.074 1.00 0.00 O ATOM 0 H GLY A 273 22.035 16.538 -25.592 1.00 0.00 H new ATOM 0 HA2 GLY A 273 24.781 17.367 -25.031 1.00 0.00 H new ATOM 0 HA3 GLY A 273 23.294 18.094 -24.453 1.00 0.00 H new ATOM 93 N LYS A 274 24.796 16.927 -22.416 1.00 0.00 N ATOM 94 CA LYS A 274 25.016 16.299 -21.116 1.00 0.00 C ATOM 95 C LYS A 274 24.166 16.969 -20.040 1.00 0.00 C ATOM 96 O LYS A 274 24.299 18.166 -19.787 1.00 0.00 O ATOM 97 CB LYS A 274 26.493 16.401 -20.733 1.00 0.00 C ATOM 98 CG LYS A 274 26.750 15.584 -19.464 1.00 0.00 C ATOM 99 CD LYS A 274 28.209 15.751 -19.036 1.00 0.00 C ATOM 100 CE LYS A 274 28.502 14.831 -17.849 1.00 0.00 C ATOM 101 NZ LYS A 274 27.240 14.567 -17.101 1.00 0.00 N ATOM 0 H LYS A 274 25.336 17.777 -22.576 1.00 0.00 H new ATOM 0 HA LYS A 274 24.727 15.251 -21.189 1.00 0.00 H new ATOM 0 HB2 LYS A 274 27.117 16.033 -21.548 1.00 0.00 H new ATOM 0 HB3 LYS A 274 26.766 17.443 -20.568 1.00 0.00 H new ATOM 0 HG2 LYS A 274 26.086 15.914 -18.665 1.00 0.00 H new ATOM 0 HG3 LYS A 274 26.531 14.532 -19.646 1.00 0.00 H new ATOM 0 HD2 LYS A 274 28.872 15.512 -19.867 1.00 0.00 H new ATOM 0 HD3 LYS A 274 28.402 16.788 -18.762 1.00 0.00 H new ATOM 0 HE2 LYS A 274 28.932 13.893 -18.200 1.00 0.00 H new ATOM 0 HE3 LYS A 274 29.238 15.293 -17.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 27.463 14.102 -16.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 26.752 15.466 -16.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 26.624 13.949 -17.667 1.00 0.00 H new ATOM 115 N VAL A 275 23.301 16.186 -19.406 1.00 0.00 N ATOM 116 CA VAL A 275 22.441 16.712 -18.351 1.00 0.00 C ATOM 117 C VAL A 275 22.114 15.620 -17.337 1.00 0.00 C ATOM 118 O VAL A 275 21.632 15.899 -16.239 1.00 0.00 O ATOM 119 CB VAL A 275 21.145 17.257 -18.955 1.00 0.00 C ATOM 120 CG1 VAL A 275 20.139 17.543 -17.838 1.00 0.00 C ATOM 121 CG2 VAL A 275 21.443 18.551 -19.714 1.00 0.00 C ATOM 0 H VAL A 275 23.176 15.193 -19.601 1.00 0.00 H new ATOM 0 HA VAL A 275 22.970 17.519 -17.843 1.00 0.00 H new ATOM 0 HB VAL A 275 20.726 16.520 -19.640 1.00 0.00 H new ATOM 0 HG11 VAL A 275 19.216 17.931 -18.270 1.00 0.00 H new ATOM 0 HG12 VAL A 275 19.926 16.622 -17.295 1.00 0.00 H new ATOM 0 HG13 VAL A 275 20.557 18.280 -17.152 1.00 0.00 H new ATOM 0 HG21 VAL A 275 20.521 18.941 -20.145 1.00 0.00 H new ATOM 0 HG22 VAL A 275 21.862 19.287 -19.028 1.00 0.00 H new ATOM 0 HG23 VAL A 275 22.159 18.349 -20.511 1.00 0.00 H new ATOM 131 N GLN A 276 22.374 14.377 -17.723 1.00 0.00 N ATOM 132 CA GLN A 276 22.101 13.234 -16.858 1.00 0.00 C ATOM 133 C GLN A 276 23.246 12.230 -16.917 1.00 0.00 C ATOM 134 O GLN A 276 24.165 12.369 -17.724 1.00 0.00 O ATOM 135 CB GLN A 276 20.805 12.554 -17.291 1.00 0.00 C ATOM 136 CG GLN A 276 20.931 12.111 -18.746 1.00 0.00 C ATOM 137 CD GLN A 276 21.667 10.780 -18.812 1.00 0.00 C ATOM 138 OE1 GLN A 276 21.067 9.729 -18.592 1.00 0.00 O ATOM 139 NE2 GLN A 276 22.941 10.767 -19.089 1.00 0.00 N ATOM 0 H GLN A 276 22.774 14.134 -18.629 1.00 0.00 H new ATOM 0 HA GLN A 276 22.001 13.593 -15.834 1.00 0.00 H new ATOM 0 HB2 GLN A 276 20.601 11.694 -16.653 1.00 0.00 H new ATOM 0 HB3 GLN A 276 19.966 13.240 -17.179 1.00 0.00 H new ATOM 0 HG2 GLN A 276 19.942 12.014 -19.194 1.00 0.00 H new ATOM 0 HG3 GLN A 276 21.469 12.865 -19.321 1.00 0.00 H new ATOM 0 HE21 GLN A 276 23.432 11.642 -19.270 1.00 0.00 H new ATOM 0 HE22 GLN A 276 23.446 9.882 -19.124 1.00 0.00 H new ATOM 148 N ILE A 277 23.183 11.216 -16.059 1.00 0.00 N ATOM 149 CA ILE A 277 24.223 10.195 -16.031 1.00 0.00 C ATOM 150 C ILE A 277 24.101 9.304 -17.265 1.00 0.00 C ATOM 151 O ILE A 277 23.003 8.911 -17.656 1.00 0.00 O ATOM 152 CB ILE A 277 24.090 9.348 -14.762 1.00 0.00 C ATOM 153 CG1 ILE A 277 24.095 10.269 -13.538 1.00 0.00 C ATOM 154 CG2 ILE A 277 25.269 8.376 -14.659 1.00 0.00 C ATOM 155 CD1 ILE A 277 23.854 9.441 -12.275 1.00 0.00 C ATOM 0 H ILE A 277 22.432 11.080 -15.382 1.00 0.00 H new ATOM 0 HA ILE A 277 25.200 10.679 -16.032 1.00 0.00 H new ATOM 0 HB ILE A 277 23.158 8.785 -14.803 1.00 0.00 H new ATOM 0 HG12 ILE A 277 25.049 10.791 -13.467 1.00 0.00 H new ATOM 0 HG13 ILE A 277 23.322 11.030 -13.639 1.00 0.00 H new ATOM 0 HG21 ILE A 277 25.168 7.777 -13.754 1.00 0.00 H new ATOM 0 HG22 ILE A 277 25.277 7.720 -15.530 1.00 0.00 H new ATOM 0 HG23 ILE A 277 26.202 8.938 -14.620 1.00 0.00 H new ATOM 0 HD11 ILE A 277 23.858 10.096 -11.404 1.00 0.00 H new ATOM 0 HD12 ILE A 277 22.889 8.939 -12.348 1.00 0.00 H new ATOM 0 HD13 ILE A 277 24.643 8.696 -12.172 1.00 0.00 H new ATOM 167 N ILE A 278 25.239 9.006 -17.879 1.00 0.00 N ATOM 168 CA ILE A 278 25.263 8.183 -19.083 1.00 0.00 C ATOM 169 C ILE A 278 24.539 6.859 -18.861 1.00 0.00 C ATOM 170 O ILE A 278 24.154 6.185 -19.817 1.00 0.00 O ATOM 171 CB ILE A 278 26.709 7.932 -19.497 1.00 0.00 C ATOM 172 CG1 ILE A 278 27.384 9.281 -19.753 1.00 0.00 C ATOM 173 CG2 ILE A 278 26.739 7.093 -20.777 1.00 0.00 C ATOM 174 CD1 ILE A 278 28.882 9.073 -19.986 1.00 0.00 C ATOM 0 H ILE A 278 26.157 9.321 -17.564 1.00 0.00 H new ATOM 0 HA ILE A 278 24.743 8.716 -19.879 1.00 0.00 H new ATOM 0 HB ILE A 278 27.235 7.395 -18.708 1.00 0.00 H new ATOM 0 HG12 ILE A 278 26.935 9.764 -20.621 1.00 0.00 H new ATOM 0 HG13 ILE A 278 27.227 9.944 -18.902 1.00 0.00 H new ATOM 0 HG21 ILE A 278 27.773 6.915 -21.071 1.00 0.00 H new ATOM 0 HG22 ILE A 278 26.243 6.139 -20.598 1.00 0.00 H new ATOM 0 HG23 ILE A 278 26.222 7.627 -21.574 1.00 0.00 H new ATOM 0 HD11 ILE A 278 29.359 10.036 -20.168 1.00 0.00 H new ATOM 0 HD12 ILE A 278 29.326 8.609 -19.106 1.00 0.00 H new ATOM 0 HD13 ILE A 278 29.029 8.426 -20.851 1.00 0.00 H new ATOM 186 N ASN A 279 24.340 6.498 -17.600 1.00 0.00 N ATOM 187 CA ASN A 279 23.642 5.259 -17.267 1.00 0.00 C ATOM 188 C ASN A 279 22.303 5.179 -18.003 1.00 0.00 C ATOM 189 O ASN A 279 21.569 4.201 -17.864 1.00 0.00 O ATOM 190 CB ASN A 279 23.408 5.175 -15.758 1.00 0.00 C ATOM 191 CG ASN A 279 23.044 3.745 -15.374 1.00 0.00 C ATOM 192 OD1 ASN A 279 22.747 2.924 -16.242 1.00 0.00 O ATOM 193 ND2 ASN A 279 23.055 3.394 -14.117 1.00 0.00 N ATOM 0 H ASN A 279 24.649 7.041 -16.794 1.00 0.00 H new ATOM 0 HA ASN A 279 24.264 4.421 -17.581 1.00 0.00 H new ATOM 0 HB2 ASN A 279 24.304 5.489 -15.223 1.00 0.00 H new ATOM 0 HB3 ASN A 279 22.608 5.855 -15.466 1.00 0.00 H new ATOM 0 HD21 ASN A 279 22.817 2.438 -13.852 1.00 0.00 H new ATOM 0 HD22 ASN A 279 23.301 4.076 -13.399 1.00 0.00 H new ATOM 200 N LYS A 280 21.992 6.231 -18.761 1.00 0.00 N ATOM 201 CA LYS A 280 20.741 6.319 -19.516 1.00 0.00 C ATOM 202 C LYS A 280 20.320 4.981 -20.121 1.00 0.00 C ATOM 203 O LYS A 280 19.193 4.849 -20.597 1.00 0.00 O ATOM 204 CB LYS A 280 20.899 7.351 -20.638 1.00 0.00 C ATOM 205 CG LYS A 280 21.697 6.749 -21.812 1.00 0.00 C ATOM 206 CD LYS A 280 20.746 6.289 -22.926 1.00 0.00 C ATOM 207 CE LYS A 280 21.562 5.891 -24.159 1.00 0.00 C ATOM 208 NZ LYS A 280 20.639 5.453 -25.244 1.00 0.00 N ATOM 0 H LYS A 280 22.598 7.044 -18.869 1.00 0.00 H new ATOM 0 HA LYS A 280 19.961 6.619 -18.816 1.00 0.00 H new ATOM 0 HB2 LYS A 280 19.917 7.674 -20.985 1.00 0.00 H new ATOM 0 HB3 LYS A 280 21.410 8.236 -20.258 1.00 0.00 H new ATOM 0 HG2 LYS A 280 22.395 7.490 -22.203 1.00 0.00 H new ATOM 0 HG3 LYS A 280 22.291 5.905 -21.461 1.00 0.00 H new ATOM 0 HD2 LYS A 280 20.149 5.444 -22.583 1.00 0.00 H new ATOM 0 HD3 LYS A 280 20.051 7.089 -23.179 1.00 0.00 H new ATOM 0 HE2 LYS A 280 22.165 6.734 -24.497 1.00 0.00 H new ATOM 0 HE3 LYS A 280 22.253 5.086 -23.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 20.670 4.417 -25.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 19.669 5.753 -25.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 20.932 5.883 -26.144 1.00 0.00 H new ATOM 222 N LYS A 281 21.205 3.991 -20.115 1.00 0.00 N ATOM 223 CA LYS A 281 20.850 2.699 -20.687 1.00 0.00 C ATOM 224 C LYS A 281 19.459 2.304 -20.209 1.00 0.00 C ATOM 225 O LYS A 281 18.669 1.736 -20.964 1.00 0.00 O ATOM 226 CB LYS A 281 21.855 1.625 -20.259 1.00 0.00 C ATOM 227 CG LYS A 281 23.220 1.884 -20.913 1.00 0.00 C ATOM 228 CD LYS A 281 24.018 2.911 -20.103 1.00 0.00 C ATOM 229 CE LYS A 281 25.504 2.778 -20.439 1.00 0.00 C ATOM 230 NZ LYS A 281 26.268 3.860 -19.757 1.00 0.00 N ATOM 0 H LYS A 281 22.148 4.054 -19.732 1.00 0.00 H new ATOM 0 HA LYS A 281 20.865 2.780 -21.774 1.00 0.00 H new ATOM 0 HB2 LYS A 281 21.958 1.625 -19.174 1.00 0.00 H new ATOM 0 HB3 LYS A 281 21.488 0.639 -20.545 1.00 0.00 H new ATOM 0 HG2 LYS A 281 23.780 0.951 -20.981 1.00 0.00 H new ATOM 0 HG3 LYS A 281 23.079 2.246 -21.931 1.00 0.00 H new ATOM 0 HD2 LYS A 281 23.671 3.919 -20.330 1.00 0.00 H new ATOM 0 HD3 LYS A 281 23.859 2.752 -19.036 1.00 0.00 H new ATOM 0 HE2 LYS A 281 25.873 1.803 -20.122 1.00 0.00 H new ATOM 0 HE3 LYS A 281 25.651 2.839 -21.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 27.004 4.222 -20.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 25.621 4.633 -19.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 26.713 3.481 -18.897 1.00 0.00 H new ATOM 244 N LEU A 282 19.161 2.631 -18.957 1.00 0.00 N ATOM 245 CA LEU A 282 17.855 2.329 -18.386 1.00 0.00 C ATOM 246 C LEU A 282 16.782 3.201 -19.033 1.00 0.00 C ATOM 247 O LEU A 282 15.623 2.801 -19.144 1.00 0.00 O ATOM 248 CB LEU A 282 17.869 2.572 -16.875 1.00 0.00 C ATOM 249 CG LEU A 282 18.740 1.513 -16.190 1.00 0.00 C ATOM 250 CD1 LEU A 282 20.223 1.823 -16.419 1.00 0.00 C ATOM 251 CD2 LEU A 282 18.449 1.513 -14.687 1.00 0.00 C ATOM 0 H LEU A 282 19.803 3.103 -18.321 1.00 0.00 H new ATOM 0 HA LEU A 282 17.628 1.280 -18.578 1.00 0.00 H new ATOM 0 HB2 LEU A 282 18.255 3.569 -16.661 1.00 0.00 H new ATOM 0 HB3 LEU A 282 16.853 2.532 -16.481 1.00 0.00 H new ATOM 0 HG LEU A 282 18.511 0.535 -16.612 1.00 0.00 H new ATOM 0 HD11 LEU A 282 20.833 1.065 -15.928 1.00 0.00 H new ATOM 0 HD12 LEU A 282 20.434 1.822 -17.488 1.00 0.00 H new ATOM 0 HD13 LEU A 282 20.458 2.803 -16.003 1.00 0.00 H new ATOM 0 HD21 LEU A 282 19.067 0.761 -14.197 1.00 0.00 H new ATOM 0 HD22 LEU A 282 18.676 2.495 -14.272 1.00 0.00 H new ATOM 0 HD23 LEU A 282 17.397 1.283 -14.520 1.00 0.00 H new ATOM 263 N ASP A 283 17.178 4.403 -19.448 1.00 0.00 N ATOM 264 CA ASP A 283 16.245 5.336 -20.072 1.00 0.00 C ATOM 265 C ASP A 283 16.252 5.190 -21.590 1.00 0.00 C ATOM 266 O ASP A 283 17.302 5.004 -22.205 1.00 0.00 O ATOM 267 CB ASP A 283 16.616 6.772 -19.696 1.00 0.00 C ATOM 268 CG ASP A 283 16.410 6.990 -18.201 1.00 0.00 C ATOM 269 OD1 ASP A 283 15.785 6.146 -17.580 1.00 0.00 O ATOM 270 OD2 ASP A 283 16.880 7.998 -17.699 1.00 0.00 O ATOM 0 H ASP A 283 18.133 4.751 -19.364 1.00 0.00 H new ATOM 0 HA ASP A 283 15.244 5.106 -19.708 1.00 0.00 H new ATOM 0 HB2 ASP A 283 17.655 6.969 -19.961 1.00 0.00 H new ATOM 0 HB3 ASP A 283 16.004 7.474 -20.262 1.00 0.00 H new ATOM 275 N LEU A 284 15.065 5.284 -22.184 1.00 0.00 N ATOM 276 CA LEU A 284 14.919 5.173 -23.631 1.00 0.00 C ATOM 277 C LEU A 284 14.479 6.502 -24.228 1.00 0.00 C ATOM 278 O LEU A 284 13.958 7.368 -23.527 1.00 0.00 O ATOM 279 CB LEU A 284 13.889 4.102 -23.982 1.00 0.00 C ATOM 280 CG LEU A 284 14.295 2.768 -23.361 1.00 0.00 C ATOM 281 CD1 LEU A 284 13.280 1.699 -23.765 1.00 0.00 C ATOM 282 CD2 LEU A 284 15.683 2.373 -23.876 1.00 0.00 C ATOM 0 H LEU A 284 14.189 5.437 -21.684 1.00 0.00 H new ATOM 0 HA LEU A 284 15.888 4.895 -24.046 1.00 0.00 H new ATOM 0 HB2 LEU A 284 12.905 4.398 -23.618 1.00 0.00 H new ATOM 0 HB3 LEU A 284 13.811 4.001 -25.064 1.00 0.00 H new ATOM 0 HG LEU A 284 14.321 2.858 -22.275 1.00 0.00 H new ATOM 0 HD11 LEU A 284 13.564 0.743 -23.325 1.00 0.00 H new ATOM 0 HD12 LEU A 284 12.290 1.983 -23.408 1.00 0.00 H new ATOM 0 HD13 LEU A 284 13.261 1.607 -24.851 1.00 0.00 H new ATOM 0 HD21 LEU A 284 15.977 1.421 -23.435 1.00 0.00 H new ATOM 0 HD22 LEU A 284 15.655 2.277 -24.961 1.00 0.00 H new ATOM 0 HD23 LEU A 284 16.406 3.140 -23.598 1.00 0.00 H new ATOM 294 N SER A 285 14.687 6.650 -25.528 1.00 0.00 N ATOM 295 CA SER A 285 14.302 7.871 -26.217 1.00 0.00 C ATOM 296 C SER A 285 12.822 8.158 -25.995 1.00 0.00 C ATOM 297 O SER A 285 12.232 7.715 -25.011 1.00 0.00 O ATOM 298 CB SER A 285 14.570 7.732 -27.713 1.00 0.00 C ATOM 299 OG SER A 285 13.360 7.390 -28.377 1.00 0.00 O ATOM 0 H SER A 285 15.118 5.943 -26.124 1.00 0.00 H new ATOM 0 HA SER A 285 14.892 8.696 -25.816 1.00 0.00 H new ATOM 0 HB2 SER A 285 14.966 8.666 -28.112 1.00 0.00 H new ATOM 0 HB3 SER A 285 15.324 6.965 -27.889 1.00 0.00 H new ATOM 0 HG SER A 285 13.528 7.302 -29.338 1.00 0.00 H new ATOM 305 N ASN A 286 12.233 8.902 -26.918 1.00 0.00 N ATOM 306 CA ASN A 286 10.820 9.252 -26.822 1.00 0.00 C ATOM 307 C ASN A 286 9.998 8.040 -26.400 1.00 0.00 C ATOM 308 O ASN A 286 8.850 8.169 -25.974 1.00 0.00 O ATOM 309 CB ASN A 286 10.316 9.768 -28.172 1.00 0.00 C ATOM 310 CG ASN A 286 8.960 10.443 -28.000 1.00 0.00 C ATOM 311 OD1 ASN A 286 8.427 10.495 -26.892 1.00 0.00 O ATOM 312 ND2 ASN A 286 8.366 10.967 -29.038 1.00 0.00 N ATOM 0 H ASN A 286 12.707 9.275 -27.740 1.00 0.00 H new ATOM 0 HA ASN A 286 10.708 10.034 -26.071 1.00 0.00 H new ATOM 0 HB2 ASN A 286 11.032 10.475 -28.591 1.00 0.00 H new ATOM 0 HB3 ASN A 286 10.233 8.942 -28.878 1.00 0.00 H new ATOM 0 HD21 ASN A 286 7.459 11.420 -28.931 1.00 0.00 H new ATOM 0 HD22 ASN A 286 8.809 10.923 -29.956 1.00 0.00 H new ATOM 319 N VAL A 287 10.599 6.861 -26.518 1.00 0.00 N ATOM 320 CA VAL A 287 9.924 5.625 -26.145 1.00 0.00 C ATOM 321 C VAL A 287 9.367 5.724 -24.728 1.00 0.00 C ATOM 322 O VAL A 287 8.644 4.836 -24.276 1.00 0.00 O ATOM 323 CB VAL A 287 10.898 4.454 -26.234 1.00 0.00 C ATOM 324 CG1 VAL A 287 10.254 3.206 -25.632 1.00 0.00 C ATOM 325 CG2 VAL A 287 11.245 4.192 -27.702 1.00 0.00 C ATOM 0 H VAL A 287 11.549 6.736 -26.868 1.00 0.00 H new ATOM 0 HA VAL A 287 9.096 5.461 -26.835 1.00 0.00 H new ATOM 0 HB VAL A 287 11.806 4.694 -25.682 1.00 0.00 H new ATOM 0 HG11 VAL A 287 10.951 2.370 -25.696 1.00 0.00 H new ATOM 0 HG12 VAL A 287 10.006 3.392 -24.587 1.00 0.00 H new ATOM 0 HG13 VAL A 287 9.345 2.964 -26.183 1.00 0.00 H new ATOM 0 HG21 VAL A 287 11.941 3.356 -27.768 1.00 0.00 H new ATOM 0 HG22 VAL A 287 10.336 3.952 -28.253 1.00 0.00 H new ATOM 0 HG23 VAL A 287 11.706 5.082 -28.131 1.00 0.00 H new ATOM 335 N GLN A 288 9.717 6.804 -24.031 1.00 0.00 N ATOM 336 CA GLN A 288 9.249 7.008 -22.660 1.00 0.00 C ATOM 337 C GLN A 288 7.782 6.613 -22.516 1.00 0.00 C ATOM 338 O GLN A 288 7.282 6.457 -21.402 1.00 0.00 O ATOM 339 CB GLN A 288 9.414 8.472 -22.246 1.00 0.00 C ATOM 340 CG GLN A 288 10.900 8.821 -22.155 1.00 0.00 C ATOM 341 CD GLN A 288 11.561 8.005 -21.048 1.00 0.00 C ATOM 342 OE1 GLN A 288 11.103 8.022 -19.906 1.00 0.00 O ATOM 343 NE2 GLN A 288 12.614 7.286 -21.322 1.00 0.00 N ATOM 0 H GLN A 288 10.318 7.546 -24.389 1.00 0.00 H new ATOM 0 HA GLN A 288 9.854 6.375 -22.011 1.00 0.00 H new ATOM 0 HB2 GLN A 288 8.922 9.122 -22.970 1.00 0.00 H new ATOM 0 HB3 GLN A 288 8.931 8.644 -21.284 1.00 0.00 H new ATOM 0 HG2 GLN A 288 11.388 8.619 -23.108 1.00 0.00 H new ATOM 0 HG3 GLN A 288 11.020 9.886 -21.955 1.00 0.00 H new ATOM 0 HE21 GLN A 288 12.991 7.274 -22.270 1.00 0.00 H new ATOM 0 HE22 GLN A 288 13.061 6.735 -20.589 1.00 0.00 H new ATOM 352 N SER A 289 7.095 6.451 -23.642 1.00 0.00 N ATOM 353 CA SER A 289 5.689 6.073 -23.606 1.00 0.00 C ATOM 354 C SER A 289 5.489 4.939 -22.607 1.00 0.00 C ATOM 355 O SER A 289 4.386 4.719 -22.109 1.00 0.00 O ATOM 356 CB SER A 289 5.233 5.618 -24.992 1.00 0.00 C ATOM 357 OG SER A 289 3.817 5.497 -25.004 1.00 0.00 O ATOM 0 H SER A 289 7.483 6.574 -24.577 1.00 0.00 H new ATOM 0 HA SER A 289 5.097 6.936 -23.301 1.00 0.00 H new ATOM 0 HB2 SER A 289 5.555 6.335 -25.747 1.00 0.00 H new ATOM 0 HB3 SER A 289 5.693 4.663 -25.244 1.00 0.00 H new ATOM 0 HG SER A 289 3.521 5.207 -25.892 1.00 0.00 H new ATOM 363 N LYS A 290 6.575 4.233 -22.310 1.00 0.00 N ATOM 364 CA LYS A 290 6.527 3.132 -21.358 1.00 0.00 C ATOM 365 C LYS A 290 6.445 3.678 -19.936 1.00 0.00 C ATOM 366 O LYS A 290 7.154 4.623 -19.587 1.00 0.00 O ATOM 367 CB LYS A 290 7.785 2.274 -21.507 1.00 0.00 C ATOM 368 CG LYS A 290 9.000 3.079 -21.040 1.00 0.00 C ATOM 369 CD LYS A 290 10.280 2.311 -21.367 1.00 0.00 C ATOM 370 CE LYS A 290 11.454 2.914 -20.591 1.00 0.00 C ATOM 371 NZ LYS A 290 11.114 2.980 -19.140 1.00 0.00 N ATOM 0 H LYS A 290 7.496 4.404 -22.714 1.00 0.00 H new ATOM 0 HA LYS A 290 5.645 2.523 -21.557 1.00 0.00 H new ATOM 0 HB2 LYS A 290 7.690 1.362 -20.918 1.00 0.00 H new ATOM 0 HB3 LYS A 290 7.912 1.971 -22.546 1.00 0.00 H new ATOM 0 HG2 LYS A 290 9.013 4.053 -21.529 1.00 0.00 H new ATOM 0 HG3 LYS A 290 8.937 3.262 -19.967 1.00 0.00 H new ATOM 0 HD2 LYS A 290 10.161 1.259 -21.107 1.00 0.00 H new ATOM 0 HD3 LYS A 290 10.478 2.354 -22.438 1.00 0.00 H new ATOM 0 HE2 LYS A 290 12.349 2.309 -20.738 1.00 0.00 H new ATOM 0 HE3 LYS A 290 11.678 3.912 -20.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 10.916 3.966 -18.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 10.274 2.396 -18.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 11.915 2.625 -18.579 1.00 0.00 H new ATOM 385 N CYS A 291 5.577 3.091 -19.121 1.00 0.00 N ATOM 386 CA CYS A 291 5.422 3.546 -17.744 1.00 0.00 C ATOM 387 C CYS A 291 6.468 2.906 -16.833 1.00 0.00 C ATOM 388 O CYS A 291 6.998 3.557 -15.933 1.00 0.00 O ATOM 389 CB CYS A 291 4.022 3.201 -17.236 1.00 0.00 C ATOM 390 SG CYS A 291 2.785 4.030 -18.264 1.00 0.00 S ATOM 0 H CYS A 291 4.977 2.309 -19.384 1.00 0.00 H new ATOM 0 HA CYS A 291 5.563 4.627 -17.727 1.00 0.00 H new ATOM 0 HB2 CYS A 291 3.869 2.122 -17.264 1.00 0.00 H new ATOM 0 HB3 CYS A 291 3.914 3.512 -16.197 1.00 0.00 H new ATOM 0 HG CYS A 291 1.603 3.574 -17.973 1.00 0.00 H new ATOM 396 N GLY A 292 6.757 1.629 -17.070 1.00 0.00 N ATOM 397 CA GLY A 292 7.739 0.914 -16.257 1.00 0.00 C ATOM 398 C GLY A 292 9.079 0.810 -16.977 1.00 0.00 C ATOM 399 O GLY A 292 10.028 1.526 -16.656 1.00 0.00 O ATOM 0 H GLY A 292 6.331 1.072 -17.810 1.00 0.00 H new ATOM 0 HA2 GLY A 292 7.873 1.430 -15.306 1.00 0.00 H new ATOM 0 HA3 GLY A 292 7.368 -0.085 -16.028 1.00 0.00 H new ATOM 403 N SER A 293 9.146 -0.089 -17.953 1.00 0.00 N ATOM 404 CA SER A 293 10.372 -0.288 -18.720 1.00 0.00 C ATOM 405 C SER A 293 10.074 -1.077 -19.990 1.00 0.00 C ATOM 406 O SER A 293 10.765 -0.924 -20.996 1.00 0.00 O ATOM 407 CB SER A 293 11.403 -1.038 -17.877 1.00 0.00 C ATOM 408 OG SER A 293 10.752 -2.070 -17.148 1.00 0.00 O ATOM 0 H SER A 293 8.370 -0.689 -18.231 1.00 0.00 H new ATOM 0 HA SER A 293 10.775 0.687 -18.993 1.00 0.00 H new ATOM 0 HB2 SER A 293 12.176 -1.462 -18.519 1.00 0.00 H new ATOM 0 HB3 SER A 293 11.899 -0.351 -17.192 1.00 0.00 H new ATOM 0 HG SER A 293 11.083 -2.078 -16.226 1.00 0.00 H new ATOM 414 N LYS A 294 9.035 -1.913 -19.918 1.00 0.00 N ATOM 415 CA LYS A 294 8.604 -2.747 -21.046 1.00 0.00 C ATOM 416 C LYS A 294 9.658 -2.802 -22.151 1.00 0.00 C ATOM 417 O LYS A 294 10.835 -3.051 -21.889 1.00 0.00 O ATOM 418 CB LYS A 294 7.297 -2.194 -21.620 1.00 0.00 C ATOM 419 CG LYS A 294 6.209 -2.235 -20.545 1.00 0.00 C ATOM 420 CD LYS A 294 4.880 -1.776 -21.149 1.00 0.00 C ATOM 421 CE LYS A 294 3.812 -1.721 -20.054 1.00 0.00 C ATOM 422 NZ LYS A 294 4.307 -0.894 -18.918 1.00 0.00 N ATOM 0 H LYS A 294 8.469 -2.032 -19.078 1.00 0.00 H new ATOM 0 HA LYS A 294 8.457 -3.760 -20.672 1.00 0.00 H new ATOM 0 HB2 LYS A 294 7.443 -1.171 -21.965 1.00 0.00 H new ATOM 0 HB3 LYS A 294 6.990 -2.781 -22.485 1.00 0.00 H new ATOM 0 HG2 LYS A 294 6.111 -3.246 -20.149 1.00 0.00 H new ATOM 0 HG3 LYS A 294 6.483 -1.591 -19.710 1.00 0.00 H new ATOM 0 HD2 LYS A 294 4.997 -0.794 -21.607 1.00 0.00 H new ATOM 0 HD3 LYS A 294 4.571 -2.461 -21.938 1.00 0.00 H new ATOM 0 HE2 LYS A 294 2.890 -1.297 -20.452 1.00 0.00 H new ATOM 0 HE3 LYS A 294 3.577 -2.728 -19.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 3.527 -0.318 -18.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 4.671 -1.516 -18.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 5.070 -0.269 -19.250 1.00 0.00 H new ATOM 436 N ASP A 295 9.225 -2.563 -23.385 1.00 0.00 N ATOM 437 CA ASP A 295 10.130 -2.581 -24.528 1.00 0.00 C ATOM 438 C ASP A 295 11.062 -3.786 -24.472 1.00 0.00 C ATOM 439 O ASP A 295 12.018 -3.875 -25.240 1.00 0.00 O ATOM 440 CB ASP A 295 10.958 -1.298 -24.544 1.00 0.00 C ATOM 441 CG ASP A 295 10.039 -0.096 -24.725 1.00 0.00 C ATOM 442 OD1 ASP A 295 9.006 -0.253 -25.357 1.00 0.00 O ATOM 443 OD2 ASP A 295 10.376 0.961 -24.223 1.00 0.00 O ATOM 0 H ASP A 295 8.254 -2.355 -23.618 1.00 0.00 H new ATOM 0 HA ASP A 295 9.532 -2.651 -25.437 1.00 0.00 H new ATOM 0 HB2 ASP A 295 11.518 -1.203 -23.613 1.00 0.00 H new ATOM 0 HB3 ASP A 295 11.688 -1.335 -25.353 1.00 0.00 H new ATOM 448 N ASN A 296 10.774 -4.710 -23.563 1.00 0.00 N ATOM 449 CA ASN A 296 11.590 -5.912 -23.414 1.00 0.00 C ATOM 450 C ASN A 296 10.998 -6.811 -22.335 1.00 0.00 C ATOM 451 O ASN A 296 10.536 -7.917 -22.615 1.00 0.00 O ATOM 452 CB ASN A 296 13.029 -5.533 -23.034 1.00 0.00 C ATOM 453 CG ASN A 296 13.871 -5.316 -24.288 1.00 0.00 C ATOM 454 OD1 ASN A 296 14.685 -4.394 -24.338 1.00 0.00 O ATOM 455 ND2 ASN A 296 13.721 -6.115 -25.309 1.00 0.00 N ATOM 0 H ASN A 296 9.985 -4.652 -22.919 1.00 0.00 H new ATOM 0 HA ASN A 296 11.601 -6.446 -24.364 1.00 0.00 H new ATOM 0 HB2 ASN A 296 13.025 -4.626 -22.429 1.00 0.00 H new ATOM 0 HB3 ASN A 296 13.470 -6.321 -22.424 1.00 0.00 H new ATOM 0 HD21 ASN A 296 14.279 -5.976 -26.151 1.00 0.00 H new ATOM 0 HD22 ASN A 296 13.046 -6.878 -25.265 1.00 0.00 H new ATOM 462 N ILE A 297 11.014 -6.319 -21.104 1.00 0.00 N ATOM 463 CA ILE A 297 10.475 -7.072 -19.982 1.00 0.00 C ATOM 464 C ILE A 297 9.000 -6.743 -19.782 1.00 0.00 C ATOM 465 O ILE A 297 8.585 -6.351 -18.692 1.00 0.00 O ATOM 466 CB ILE A 297 11.262 -6.748 -18.710 1.00 0.00 C ATOM 467 CG1 ILE A 297 11.280 -5.232 -18.485 1.00 0.00 C ATOM 468 CG2 ILE A 297 12.698 -7.252 -18.857 1.00 0.00 C ATOM 469 CD1 ILE A 297 11.840 -4.931 -17.094 1.00 0.00 C ATOM 0 H ILE A 297 11.393 -5.405 -20.858 1.00 0.00 H new ATOM 0 HA ILE A 297 10.568 -8.136 -20.197 1.00 0.00 H new ATOM 0 HB ILE A 297 10.786 -7.236 -17.859 1.00 0.00 H new ATOM 0 HG12 ILE A 297 11.890 -4.747 -19.247 1.00 0.00 H new ATOM 0 HG13 ILE A 297 10.272 -4.827 -18.579 1.00 0.00 H new ATOM 0 HG21 ILE A 297 13.259 -7.021 -17.951 1.00 0.00 H new ATOM 0 HG22 ILE A 297 12.691 -8.331 -19.015 1.00 0.00 H new ATOM 0 HG23 ILE A 297 13.169 -6.764 -19.710 1.00 0.00 H new ATOM 0 HD11 ILE A 297 11.853 -3.853 -16.933 1.00 0.00 H new ATOM 0 HD12 ILE A 297 11.212 -5.403 -16.339 1.00 0.00 H new ATOM 0 HD13 ILE A 297 12.855 -5.322 -17.018 1.00 0.00 H new ATOM 481 N LYS A 298 8.214 -6.904 -20.844 1.00 0.00 N ATOM 482 CA LYS A 298 6.784 -6.615 -20.778 1.00 0.00 C ATOM 483 C LYS A 298 6.217 -7.034 -19.428 1.00 0.00 C ATOM 484 O LYS A 298 5.742 -8.158 -19.261 1.00 0.00 O ATOM 485 CB LYS A 298 6.052 -7.358 -21.897 1.00 0.00 C ATOM 486 CG LYS A 298 4.587 -6.917 -21.930 1.00 0.00 C ATOM 487 CD LYS A 298 3.842 -7.705 -23.008 1.00 0.00 C ATOM 488 CE LYS A 298 2.421 -7.158 -23.153 1.00 0.00 C ATOM 489 NZ LYS A 298 1.777 -7.759 -24.354 1.00 0.00 N ATOM 0 H LYS A 298 8.540 -7.230 -21.754 1.00 0.00 H new ATOM 0 HA LYS A 298 6.640 -5.542 -20.901 1.00 0.00 H new ATOM 0 HB2 LYS A 298 6.527 -7.151 -22.856 1.00 0.00 H new ATOM 0 HB3 LYS A 298 6.115 -8.434 -21.735 1.00 0.00 H new ATOM 0 HG2 LYS A 298 4.124 -7.083 -20.957 1.00 0.00 H new ATOM 0 HG3 LYS A 298 4.522 -5.848 -22.135 1.00 0.00 H new ATOM 0 HD2 LYS A 298 4.370 -7.630 -23.958 1.00 0.00 H new ATOM 0 HD3 LYS A 298 3.811 -8.762 -22.744 1.00 0.00 H new ATOM 0 HE2 LYS A 298 1.838 -7.389 -22.261 1.00 0.00 H new ATOM 0 HE3 LYS A 298 2.446 -6.072 -23.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 0.811 -7.387 -24.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 2.329 -7.517 -25.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 1.741 -8.793 -24.248 1.00 0.00 H new ATOM 503 N HIS A 299 6.276 -6.118 -18.469 1.00 0.00 N ATOM 504 CA HIS A 299 5.773 -6.382 -17.127 1.00 0.00 C ATOM 505 C HIS A 299 4.879 -5.231 -16.661 1.00 0.00 C ATOM 506 O HIS A 299 5.001 -4.105 -17.142 1.00 0.00 O ATOM 507 CB HIS A 299 6.952 -6.560 -16.162 1.00 0.00 C ATOM 508 CG HIS A 299 7.566 -5.219 -15.869 1.00 0.00 C ATOM 509 ND1 HIS A 299 8.169 -4.924 -14.657 1.00 0.00 N ATOM 510 CD2 HIS A 299 7.636 -4.075 -16.611 1.00 0.00 C ATOM 511 CE1 HIS A 299 8.568 -3.640 -14.709 1.00 0.00 C ATOM 512 NE2 HIS A 299 8.270 -3.076 -15.880 1.00 0.00 N ATOM 0 H HIS A 299 6.668 -5.185 -18.596 1.00 0.00 H new ATOM 0 HA HIS A 299 5.180 -7.297 -17.141 1.00 0.00 H new ATOM 0 HB2 HIS A 299 6.612 -7.026 -15.237 1.00 0.00 H new ATOM 0 HB3 HIS A 299 7.697 -7.225 -16.599 1.00 0.00 H new ATOM 0 HD2 HIS A 299 7.256 -3.963 -17.616 1.00 0.00 H new ATOM 0 HE1 HIS A 299 9.069 -3.128 -13.900 1.00 0.00 H new ATOM 0 HE2 HIS A 299 8.465 -2.119 -16.176 1.00 0.00 H new ATOM 521 N VAL A 300 3.985 -5.523 -15.724 1.00 0.00 N ATOM 522 CA VAL A 300 3.075 -4.508 -15.195 1.00 0.00 C ATOM 523 C VAL A 300 3.706 -3.696 -14.048 1.00 0.00 C ATOM 524 O VAL A 300 3.690 -2.465 -14.075 1.00 0.00 O ATOM 525 CB VAL A 300 1.792 -5.189 -14.692 1.00 0.00 C ATOM 526 CG1 VAL A 300 1.124 -4.343 -13.599 1.00 0.00 C ATOM 527 CG2 VAL A 300 0.819 -5.364 -15.862 1.00 0.00 C ATOM 0 H VAL A 300 3.869 -6.450 -15.315 1.00 0.00 H new ATOM 0 HA VAL A 300 2.850 -3.813 -16.004 1.00 0.00 H new ATOM 0 HB VAL A 300 2.052 -6.161 -14.273 1.00 0.00 H new ATOM 0 HG11 VAL A 300 0.218 -4.842 -13.256 1.00 0.00 H new ATOM 0 HG12 VAL A 300 1.811 -4.222 -12.761 1.00 0.00 H new ATOM 0 HG13 VAL A 300 0.868 -3.363 -14.003 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -0.092 -5.847 -15.508 1.00 0.00 H new ATOM 0 HG22 VAL A 300 0.574 -4.388 -16.280 1.00 0.00 H new ATOM 0 HG23 VAL A 300 1.282 -5.982 -16.631 1.00 0.00 H new ATOM 537 N PRO A 301 4.211 -4.350 -13.030 1.00 0.00 N ATOM 538 CA PRO A 301 4.785 -3.635 -11.865 1.00 0.00 C ATOM 539 C PRO A 301 5.707 -2.498 -12.293 1.00 0.00 C ATOM 540 O PRO A 301 6.406 -2.599 -13.302 1.00 0.00 O ATOM 541 CB PRO A 301 5.542 -4.743 -11.144 1.00 0.00 C ATOM 542 CG PRO A 301 6.061 -5.617 -12.236 1.00 0.00 C ATOM 543 CD PRO A 301 5.123 -5.437 -13.431 1.00 0.00 C ATOM 0 HA PRO A 301 4.035 -3.148 -11.242 1.00 0.00 H new ATOM 0 HB2 PRO A 301 6.354 -4.340 -10.539 1.00 0.00 H new ATOM 0 HB3 PRO A 301 4.888 -5.297 -10.470 1.00 0.00 H new ATOM 0 HG2 PRO A 301 7.081 -5.340 -12.501 1.00 0.00 H new ATOM 0 HG3 PRO A 301 6.086 -6.659 -11.918 1.00 0.00 H new ATOM 0 HD2 PRO A 301 5.676 -5.177 -14.333 1.00 0.00 H new ATOM 0 HD3 PRO A 301 4.575 -6.354 -13.646 1.00 0.00 H new ATOM 551 N GLY A 302 5.694 -1.412 -11.528 1.00 0.00 N ATOM 552 CA GLY A 302 6.520 -0.253 -11.846 1.00 0.00 C ATOM 553 C GLY A 302 5.693 0.830 -12.534 1.00 0.00 C ATOM 554 O GLY A 302 6.241 1.754 -13.135 1.00 0.00 O ATOM 0 H GLY A 302 5.124 -1.310 -10.688 1.00 0.00 H new ATOM 0 HA2 GLY A 302 6.962 0.146 -10.933 1.00 0.00 H new ATOM 0 HA3 GLY A 302 7.343 -0.554 -12.493 1.00 0.00 H new ATOM 558 N GLY A 303 4.369 0.712 -12.436 1.00 0.00 N ATOM 559 CA GLY A 303 3.475 1.692 -13.048 1.00 0.00 C ATOM 560 C GLY A 303 2.977 1.218 -14.412 1.00 0.00 C ATOM 561 O GLY A 303 2.509 2.019 -15.221 1.00 0.00 O ATOM 0 H GLY A 303 3.896 -0.045 -11.943 1.00 0.00 H new ATOM 0 HA2 GLY A 303 2.624 1.871 -12.391 1.00 0.00 H new ATOM 0 HA3 GLY A 303 3.997 2.642 -13.160 1.00 0.00 H new ATOM 565 N GLY A 304 3.081 -0.082 -14.662 1.00 0.00 N ATOM 566 CA GLY A 304 2.637 -0.644 -15.934 1.00 0.00 C ATOM 567 C GLY A 304 1.125 -0.878 -15.943 1.00 0.00 C ATOM 568 O GLY A 304 0.409 -0.420 -15.053 1.00 0.00 O ATOM 0 H GLY A 304 3.466 -0.763 -14.007 1.00 0.00 H new ATOM 0 HA2 GLY A 304 2.907 0.031 -16.746 1.00 0.00 H new ATOM 0 HA3 GLY A 304 3.154 -1.586 -16.118 1.00 0.00 H new ATOM 572 N SER A 305 0.650 -1.591 -16.963 1.00 0.00 N ATOM 573 CA SER A 305 -0.779 -1.887 -17.099 1.00 0.00 C ATOM 574 C SER A 305 -1.292 -2.678 -15.897 1.00 0.00 C ATOM 575 O SER A 305 -0.585 -2.849 -14.915 1.00 0.00 O ATOM 576 CB SER A 305 -1.023 -2.682 -18.381 1.00 0.00 C ATOM 577 OG SER A 305 -1.075 -1.789 -19.485 1.00 0.00 O ATOM 0 H SER A 305 1.232 -1.975 -17.708 1.00 0.00 H new ATOM 0 HA SER A 305 -1.321 -0.942 -17.145 1.00 0.00 H new ATOM 0 HB2 SER A 305 -0.227 -3.412 -18.527 1.00 0.00 H new ATOM 0 HB3 SER A 305 -1.957 -3.239 -18.305 1.00 0.00 H new ATOM 0 HG SER A 305 -1.230 -2.296 -20.309 1.00 0.00 H new ATOM 583 N VAL A 306 -2.536 -3.144 -15.976 1.00 0.00 N ATOM 584 CA VAL A 306 -3.135 -3.907 -14.878 1.00 0.00 C ATOM 585 C VAL A 306 -3.266 -5.384 -15.247 1.00 0.00 C ATOM 586 O VAL A 306 -4.191 -6.064 -14.803 1.00 0.00 O ATOM 587 CB VAL A 306 -4.518 -3.341 -14.548 1.00 0.00 C ATOM 588 CG1 VAL A 306 -4.399 -1.846 -14.245 1.00 0.00 C ATOM 589 CG2 VAL A 306 -5.451 -3.547 -15.742 1.00 0.00 C ATOM 0 H VAL A 306 -3.147 -3.009 -16.782 1.00 0.00 H new ATOM 0 HA VAL A 306 -2.484 -3.822 -14.008 1.00 0.00 H new ATOM 0 HB VAL A 306 -4.923 -3.856 -13.677 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -5.384 -1.443 -14.010 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -3.734 -1.699 -13.394 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -3.994 -1.330 -15.115 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -6.436 -3.144 -15.508 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -5.046 -3.032 -16.613 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -5.536 -4.612 -15.957 1.00 0.00 H new ATOM 599 N GLN A 307 -2.345 -5.867 -16.075 1.00 0.00 N ATOM 600 CA GLN A 307 -2.375 -7.259 -16.517 1.00 0.00 C ATOM 601 C GLN A 307 -2.133 -8.225 -15.355 1.00 0.00 C ATOM 602 O GLN A 307 -2.876 -8.230 -14.372 1.00 0.00 O ATOM 603 CB GLN A 307 -1.307 -7.482 -17.587 1.00 0.00 C ATOM 604 CG GLN A 307 -1.399 -6.370 -18.627 1.00 0.00 C ATOM 605 CD GLN A 307 -0.438 -6.650 -19.778 1.00 0.00 C ATOM 606 OE1 GLN A 307 -0.735 -7.463 -20.652 1.00 0.00 O ATOM 607 NE2 GLN A 307 0.704 -6.020 -19.829 1.00 0.00 N ATOM 0 H GLN A 307 -1.572 -5.319 -16.453 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.366 -7.457 -16.925 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -0.316 -7.490 -17.133 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -1.448 -8.453 -18.062 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -2.419 -6.297 -19.004 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -1.160 -5.411 -18.168 1.00 0.00 H new ATOM 0 HE21 GLN A 307 0.948 -5.346 -19.103 1.00 0.00 H new ATOM 0 HE22 GLN A 307 1.353 -6.201 -20.595 1.00 0.00 H new ATOM 616 N ILE A 308 -1.098 -9.053 -15.491 1.00 0.00 N ATOM 617 CA ILE A 308 -0.768 -10.043 -14.467 1.00 0.00 C ATOM 618 C ILE A 308 -0.431 -9.388 -13.128 1.00 0.00 C ATOM 619 O ILE A 308 -0.572 -10.016 -12.079 1.00 0.00 O ATOM 620 CB ILE A 308 0.412 -10.908 -14.928 1.00 0.00 C ATOM 621 CG1 ILE A 308 1.714 -10.081 -14.953 1.00 0.00 C ATOM 622 CG2 ILE A 308 0.125 -11.462 -16.326 1.00 0.00 C ATOM 623 CD1 ILE A 308 1.594 -8.899 -15.921 1.00 0.00 C ATOM 0 H ILE A 308 -0.475 -9.058 -16.298 1.00 0.00 H new ATOM 0 HA ILE A 308 -1.649 -10.668 -14.323 1.00 0.00 H new ATOM 0 HB ILE A 308 0.538 -11.732 -14.226 1.00 0.00 H new ATOM 0 HG12 ILE A 308 1.936 -9.714 -13.951 1.00 0.00 H new ATOM 0 HG13 ILE A 308 2.548 -10.717 -15.251 1.00 0.00 H new ATOM 0 HG21 ILE A 308 0.964 -12.077 -16.653 1.00 0.00 H new ATOM 0 HG22 ILE A 308 -0.780 -12.069 -16.298 1.00 0.00 H new ATOM 0 HG23 ILE A 308 -0.013 -10.636 -17.023 1.00 0.00 H new ATOM 0 HD11 ILE A 308 2.525 -8.332 -15.920 1.00 0.00 H new ATOM 0 HD12 ILE A 308 1.396 -9.271 -16.926 1.00 0.00 H new ATOM 0 HD13 ILE A 308 0.775 -8.252 -15.606 1.00 0.00 H new ATOM 635 N VAL A 309 0.011 -8.134 -13.180 1.00 0.00 N ATOM 636 CA VAL A 309 0.372 -7.383 -11.977 1.00 0.00 C ATOM 637 C VAL A 309 0.779 -8.300 -10.819 1.00 0.00 C ATOM 638 O VAL A 309 0.477 -8.010 -9.662 1.00 0.00 O ATOM 639 CB VAL A 309 -0.809 -6.498 -11.544 1.00 0.00 C ATOM 640 CG1 VAL A 309 -1.890 -7.352 -10.867 1.00 0.00 C ATOM 641 CG2 VAL A 309 -0.317 -5.416 -10.568 1.00 0.00 C ATOM 0 H VAL A 309 0.129 -7.612 -14.048 1.00 0.00 H new ATOM 0 HA VAL A 309 1.235 -6.765 -12.225 1.00 0.00 H new ATOM 0 HB VAL A 309 -1.235 -6.022 -12.427 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -2.721 -6.715 -10.565 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -2.248 -8.107 -11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -1.470 -7.841 -9.988 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -1.157 -4.791 -10.264 1.00 0.00 H new ATOM 0 HG22 VAL A 309 0.120 -5.890 -9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 309 0.435 -4.799 -11.059 1.00 0.00 H new ATOM 651 N TYR A 310 1.469 -9.402 -11.122 1.00 0.00 N ATOM 652 CA TYR A 310 1.896 -10.323 -10.065 1.00 0.00 C ATOM 653 C TYR A 310 3.336 -10.042 -9.649 1.00 0.00 C ATOM 654 O TYR A 310 3.974 -10.858 -8.985 1.00 0.00 O ATOM 655 CB TYR A 310 1.716 -11.791 -10.509 1.00 0.00 C ATOM 656 CG TYR A 310 2.985 -12.348 -11.124 1.00 0.00 C ATOM 657 CD1 TYR A 310 3.222 -12.211 -12.495 1.00 0.00 C ATOM 658 CD2 TYR A 310 3.919 -13.012 -10.318 1.00 0.00 C ATOM 659 CE1 TYR A 310 4.391 -12.734 -13.062 1.00 0.00 C ATOM 660 CE2 TYR A 310 5.088 -13.535 -10.884 1.00 0.00 C ATOM 661 CZ TYR A 310 5.324 -13.395 -12.256 1.00 0.00 C ATOM 662 OH TYR A 310 6.475 -13.911 -12.814 1.00 0.00 O ATOM 0 H TYR A 310 1.739 -9.675 -12.067 1.00 0.00 H new ATOM 0 HA TYR A 310 1.261 -10.160 -9.194 1.00 0.00 H new ATOM 0 HB2 TYR A 310 1.430 -12.399 -9.651 1.00 0.00 H new ATOM 0 HB3 TYR A 310 0.902 -11.856 -11.231 1.00 0.00 H new ATOM 0 HD1 TYR A 310 2.502 -11.701 -13.118 1.00 0.00 H new ATOM 0 HD2 TYR A 310 3.737 -13.121 -9.259 1.00 0.00 H new ATOM 0 HE1 TYR A 310 4.572 -12.627 -14.121 1.00 0.00 H new ATOM 0 HE2 TYR A 310 5.807 -14.046 -10.262 1.00 0.00 H new ATOM 0 HH TYR A 310 7.015 -14.337 -12.116 1.00 0.00 H new ATOM 672 N LYS A 311 3.834 -8.874 -10.029 1.00 0.00 N ATOM 673 CA LYS A 311 5.193 -8.488 -9.681 1.00 0.00 C ATOM 674 C LYS A 311 6.213 -9.365 -10.407 1.00 0.00 C ATOM 675 O LYS A 311 6.989 -10.085 -9.778 1.00 0.00 O ATOM 676 CB LYS A 311 5.389 -8.602 -8.164 1.00 0.00 C ATOM 677 CG LYS A 311 6.384 -7.541 -7.690 1.00 0.00 C ATOM 678 CD LYS A 311 6.993 -7.968 -6.354 1.00 0.00 C ATOM 679 CE LYS A 311 8.054 -6.953 -5.928 1.00 0.00 C ATOM 680 NZ LYS A 311 8.941 -7.563 -4.899 1.00 0.00 N ATOM 0 H LYS A 311 3.321 -8.182 -10.575 1.00 0.00 H new ATOM 0 HA LYS A 311 5.350 -7.455 -9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 311 4.434 -8.473 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 311 5.755 -9.597 -7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 311 7.170 -7.408 -8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 311 5.882 -6.580 -7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 311 6.215 -8.037 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 311 7.438 -8.959 -6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 311 8.642 -6.641 -6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 311 7.577 -6.058 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 9.663 -6.872 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 8.374 -7.839 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 9.406 -8.404 -5.296 1.00 0.00 H new ATOM 694 N PRO A 312 6.230 -9.307 -11.713 1.00 0.00 N ATOM 695 CA PRO A 312 7.180 -10.102 -12.528 1.00 0.00 C ATOM 696 C PRO A 312 8.628 -9.664 -12.321 1.00 0.00 C ATOM 697 O PRO A 312 8.845 -8.480 -12.122 1.00 0.00 O ATOM 698 CB PRO A 312 6.722 -9.830 -13.962 1.00 0.00 C ATOM 699 CG PRO A 312 5.263 -9.469 -13.871 1.00 0.00 C ATOM 700 CD PRO A 312 4.932 -9.217 -12.392 1.00 0.00 C ATOM 701 OXT PRO A 312 9.497 -10.519 -12.363 1.00 0.00 O ATOM 0 HA PRO A 312 7.171 -11.159 -12.262 1.00 0.00 H new ATOM 0 HB2 PRO A 312 7.297 -9.019 -14.408 1.00 0.00 H new ATOM 0 HB3 PRO A 312 6.868 -10.708 -14.591 1.00 0.00 H new ATOM 0 HG2 PRO A 312 5.052 -8.581 -14.466 1.00 0.00 H new ATOM 0 HG3 PRO A 312 4.645 -10.274 -14.269 1.00 0.00 H new ATOM 0 HD2 PRO A 312 4.474 -8.239 -12.247 1.00 0.00 H new ATOM 0 HD3 PRO A 312 4.230 -9.958 -12.009 1.00 0.00 H new TER 709 PRO A 312