USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=14 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 64:sc= 0.335 USER MOD Set 1.2: A 307 GLN : amide:sc= -1.69 K(o=-1.4,f=-5.3!) USER MOD Set 2.1: A 269 GLN :FLIP amide:sc= -1.59 X(o=-1.7,f=-1.6) USER MOD Set 2.2: A 286 ASN :FLIP amide:sc= 0.00126 F(o=-3,f=-1.6) USER MOD Single : A 267 LYS NZ :NH3+ -167:sc=-0.000874 (180deg=-0.187) USER MOD Single : A 268 HIS :FLIP no HE2:sc= -1.34 F(o=-2.7!,f=-1.3) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= 0.154 X(o=0.15,f=-0.33) USER MOD Single : A 279 ASN :FLIP amide:sc= -0.911 F(o=-4.6!,f=-0.91) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 163:sc= -0.473 (180deg=-1.29) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 288 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 289 SER OG : rot 180:sc= 0 USER MOD Single : A 290 LYS NZ :NH3+ 172:sc= -3.93! (180deg=-4.54!) USER MOD Single : A 291 CYS SG : rot -71:sc= -2.2! USER MOD Single : A 293 SER OG : rot 48:sc= 0.00565 USER MOD Single : A 294 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0304) USER MOD Single : A 296 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.3!) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 299 HIS : no HD1:sc= -18.6! C(o=-19!,f=-28!) 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 20.002 -23.827 -14.265 1.00 0.00 N ATOM 2 CA LYS A 267 21.132 -23.114 -14.852 1.00 0.00 C ATOM 3 C LYS A 267 21.491 -21.904 -13.993 1.00 0.00 C ATOM 4 O LYS A 267 21.811 -22.048 -12.813 1.00 0.00 O ATOM 5 CB LYS A 267 20.780 -22.664 -16.274 1.00 0.00 C ATOM 6 CG LYS A 267 22.052 -22.244 -17.016 1.00 0.00 C ATOM 7 CD LYS A 267 21.681 -21.708 -18.399 1.00 0.00 C ATOM 8 CE LYS A 267 22.954 -21.411 -19.192 1.00 0.00 C ATOM 9 NZ LYS A 267 23.665 -20.255 -18.574 1.00 0.00 N ATOM 0 HA LYS A 267 21.992 -23.782 -14.893 1.00 0.00 H new ATOM 0 HB2 LYS A 267 20.286 -23.475 -16.810 1.00 0.00 H new ATOM 0 HB3 LYS A 267 20.077 -21.831 -16.238 1.00 0.00 H new ATOM 0 HG2 LYS A 267 22.582 -21.479 -16.448 1.00 0.00 H new ATOM 0 HG3 LYS A 267 22.727 -23.094 -17.113 1.00 0.00 H new ATOM 0 HD2 LYS A 267 21.071 -22.438 -18.931 1.00 0.00 H new ATOM 0 HD3 LYS A 267 21.082 -20.803 -18.301 1.00 0.00 H new ATOM 0 HE2 LYS A 267 23.602 -22.287 -19.202 1.00 0.00 H new ATOM 0 HE3 LYS A 267 22.705 -21.187 -20.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 24.400 -19.912 -19.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 22.986 -19.491 -18.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 24.106 -20.555 -17.681 1.00 0.00 H new ATOM 23 N HIS A 268 21.429 -20.713 -14.583 1.00 0.00 N ATOM 24 CA HIS A 268 21.740 -19.492 -13.850 1.00 0.00 C ATOM 25 C HIS A 268 20.466 -18.896 -13.267 1.00 0.00 C ATOM 26 O HIS A 268 20.505 -18.128 -12.306 1.00 0.00 O ATOM 27 CB HIS A 268 22.407 -18.475 -14.777 1.00 0.00 C ATOM 28 CG HIS A 268 22.630 -17.189 -14.028 1.00 0.00 C ATOM 29 ND1 HIS A 268 22.749 -16.917 -12.687 1.00 0.00 N flip ATOM 30 CD2 HIS A 268 22.754 -15.969 -14.674 1.00 0.00 C flip ATOM 31 CE1 HIS A 268 22.946 -15.552 -12.502 1.00 0.00 C flip ATOM 32 NE2 HIS A 268 22.940 -15.028 -13.732 1.00 0.00 N flip ATOM 0 H HIS A 268 21.168 -20.569 -15.559 1.00 0.00 H new ATOM 0 HA HIS A 268 22.426 -19.736 -13.039 1.00 0.00 H new ATOM 0 HB2 HIS A 268 23.357 -18.866 -15.141 1.00 0.00 H new ATOM 0 HB3 HIS A 268 21.780 -18.296 -15.650 1.00 0.00 H new ATOM 0 HD1 HIS A 268 22.700 -17.610 -11.940 1.00 0.00 H new ATOM 0 HD2 HIS A 268 22.709 -15.804 -15.740 1.00 0.00 H new ATOM 0 HE1 HIS A 268 23.076 -15.029 -11.566 1.00 0.00 H new ATOM 41 N GLN A 269 19.335 -19.255 -13.863 1.00 0.00 N ATOM 42 CA GLN A 269 18.049 -18.749 -13.405 1.00 0.00 C ATOM 43 C GLN A 269 17.962 -18.773 -11.877 1.00 0.00 C ATOM 44 O GLN A 269 17.446 -17.834 -11.270 1.00 0.00 O ATOM 45 CB GLN A 269 16.904 -19.576 -14.014 1.00 0.00 C ATOM 46 CG GLN A 269 16.507 -18.991 -15.374 1.00 0.00 C ATOM 47 CD GLN A 269 17.727 -18.924 -16.287 1.00 0.00 C ATOM 48 OE1 GLN A 269 18.277 -20.029 -16.709 1.00 0.00 O flip ATOM 49 NE2 GLN A 269 18.191 -17.835 -16.624 1.00 0.00 N flip ATOM 0 H GLN A 269 19.283 -19.890 -14.659 1.00 0.00 H new ATOM 0 HA GLN A 269 17.955 -17.715 -13.735 1.00 0.00 H new ATOM 0 HB2 GLN A 269 17.215 -20.614 -14.131 1.00 0.00 H new ATOM 0 HB3 GLN A 269 16.045 -19.575 -13.343 1.00 0.00 H new ATOM 0 HG2 GLN A 269 15.733 -19.606 -15.832 1.00 0.00 H new ATOM 0 HG3 GLN A 269 16.086 -17.994 -15.242 1.00 0.00 H new ATOM 0 HE21 GLN A 269 17.759 -16.972 -16.293 1.00 0.00 H new ATOM 0 HE22 GLN A 269 19.007 -17.795 -17.234 1.00 0.00 H new ATOM 58 N PRO A 270 18.448 -19.812 -11.240 1.00 0.00 N ATOM 59 CA PRO A 270 18.391 -19.890 -9.757 1.00 0.00 C ATOM 60 C PRO A 270 19.588 -19.197 -9.104 1.00 0.00 C ATOM 61 O PRO A 270 20.722 -19.337 -9.560 1.00 0.00 O ATOM 62 CB PRO A 270 18.394 -21.405 -9.465 1.00 0.00 C ATOM 63 CG PRO A 270 18.700 -22.087 -10.772 1.00 0.00 C ATOM 64 CD PRO A 270 19.138 -20.998 -11.747 1.00 0.00 C ATOM 0 HA PRO A 270 17.516 -19.383 -9.351 1.00 0.00 H new ATOM 0 HB2 PRO A 270 19.142 -21.654 -8.712 1.00 0.00 H new ATOM 0 HB3 PRO A 270 17.429 -21.728 -9.075 1.00 0.00 H new ATOM 0 HG2 PRO A 270 19.487 -22.831 -10.645 1.00 0.00 H new ATOM 0 HG3 PRO A 270 17.822 -22.612 -11.148 1.00 0.00 H new ATOM 0 HD2 PRO A 270 20.220 -20.867 -11.747 1.00 0.00 H new ATOM 0 HD3 PRO A 270 18.845 -21.230 -12.771 1.00 0.00 H new ATOM 72 N GLY A 271 19.324 -18.455 -8.032 1.00 0.00 N ATOM 73 CA GLY A 271 20.387 -17.749 -7.323 1.00 0.00 C ATOM 74 C GLY A 271 20.767 -18.482 -6.040 1.00 0.00 C ATOM 75 O GLY A 271 21.817 -18.222 -5.453 1.00 0.00 O ATOM 0 H GLY A 271 18.392 -18.327 -7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 271 21.261 -17.659 -7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 271 20.061 -16.737 -7.085 1.00 0.00 H new ATOM 79 N GLY A 272 19.904 -19.397 -5.610 1.00 0.00 N ATOM 80 CA GLY A 272 20.156 -20.159 -4.393 1.00 0.00 C ATOM 81 C GLY A 272 21.479 -20.913 -4.477 1.00 0.00 C ATOM 82 O GLY A 272 22.206 -21.018 -3.488 1.00 0.00 O ATOM 0 H GLY A 272 19.030 -19.628 -6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 272 20.172 -19.485 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 272 19.342 -20.865 -4.228 1.00 0.00 H new ATOM 86 N GLY A 273 21.784 -21.440 -5.658 1.00 0.00 N ATOM 87 CA GLY A 273 23.023 -22.186 -5.850 1.00 0.00 C ATOM 88 C GLY A 273 22.901 -23.161 -7.017 1.00 0.00 C ATOM 89 O GLY A 273 22.317 -22.838 -8.051 1.00 0.00 O ATOM 0 H GLY A 273 21.197 -21.366 -6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 273 23.844 -21.493 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 273 23.267 -22.733 -4.939 1.00 0.00 H new ATOM 93 N LYS A 274 23.459 -24.356 -6.842 1.00 0.00 N ATOM 94 CA LYS A 274 23.410 -25.375 -7.887 1.00 0.00 C ATOM 95 C LYS A 274 22.249 -26.335 -7.649 1.00 0.00 C ATOM 96 O LYS A 274 21.887 -26.617 -6.506 1.00 0.00 O ATOM 97 CB LYS A 274 24.725 -26.156 -7.914 1.00 0.00 C ATOM 98 CG LYS A 274 25.877 -25.204 -8.240 1.00 0.00 C ATOM 99 CD LYS A 274 27.148 -26.013 -8.507 1.00 0.00 C ATOM 100 CE LYS A 274 27.566 -26.746 -7.231 1.00 0.00 C ATOM 101 NZ LYS A 274 29.030 -27.018 -7.272 1.00 0.00 N ATOM 0 H LYS A 274 23.947 -24.641 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 274 23.262 -24.878 -8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 274 24.896 -26.634 -6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 274 24.673 -26.950 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 274 25.628 -24.600 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 274 26.039 -24.515 -7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 274 26.973 -26.729 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 274 27.949 -25.352 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 274 27.321 -26.144 -6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 274 27.014 -27.681 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 29.315 -27.516 -6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 29.250 -27.609 -8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 29.548 -26.119 -7.341 1.00 0.00 H new ATOM 115 N VAL A 275 21.668 -26.834 -8.735 1.00 0.00 N ATOM 116 CA VAL A 275 20.546 -27.760 -8.633 1.00 0.00 C ATOM 117 C VAL A 275 19.365 -27.088 -7.939 1.00 0.00 C ATOM 118 O VAL A 275 18.307 -27.692 -7.764 1.00 0.00 O ATOM 119 CB VAL A 275 20.963 -29.006 -7.851 1.00 0.00 C ATOM 120 CG1 VAL A 275 20.056 -30.176 -8.235 1.00 0.00 C ATOM 121 CG2 VAL A 275 22.414 -29.354 -8.189 1.00 0.00 C ATOM 0 H VAL A 275 21.953 -26.615 -9.690 1.00 0.00 H new ATOM 0 HA VAL A 275 20.245 -28.052 -9.639 1.00 0.00 H new ATOM 0 HB VAL A 275 20.873 -28.813 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 275 20.353 -31.065 -7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 275 19.022 -29.928 -7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 275 20.146 -30.371 -9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 275 22.714 -30.242 -7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 275 22.502 -29.548 -9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 275 23.061 -28.520 -7.917 1.00 0.00 H new ATOM 131 N GLN A 276 19.553 -25.828 -7.557 1.00 0.00 N ATOM 132 CA GLN A 276 18.500 -25.070 -6.893 1.00 0.00 C ATOM 133 C GLN A 276 17.404 -24.703 -7.888 1.00 0.00 C ATOM 134 O GLN A 276 16.685 -23.721 -7.701 1.00 0.00 O ATOM 135 CB GLN A 276 19.074 -23.796 -6.270 1.00 0.00 C ATOM 136 CG GLN A 276 20.216 -24.159 -5.318 1.00 0.00 C ATOM 137 CD GLN A 276 19.733 -25.155 -4.269 1.00 0.00 C ATOM 138 OE1 GLN A 276 18.691 -24.946 -3.648 1.00 0.00 O ATOM 139 NE2 GLN A 276 20.430 -26.232 -4.034 1.00 0.00 N ATOM 0 H GLN A 276 20.422 -25.313 -7.696 1.00 0.00 H new ATOM 0 HA GLN A 276 18.074 -25.692 -6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 276 19.437 -23.129 -7.052 1.00 0.00 H new ATOM 0 HB3 GLN A 276 18.294 -23.260 -5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 276 21.046 -24.587 -5.881 1.00 0.00 H new ATOM 0 HG3 GLN A 276 20.592 -23.260 -4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 276 21.293 -26.403 -4.550 1.00 0.00 H new ATOM 0 HE22 GLN A 276 20.112 -26.903 -3.335 1.00 0.00 H new ATOM 148 N ILE A 277 17.290 -25.493 -8.949 1.00 0.00 N ATOM 149 CA ILE A 277 16.287 -25.240 -9.975 1.00 0.00 C ATOM 150 C ILE A 277 14.972 -24.788 -9.352 1.00 0.00 C ATOM 151 O ILE A 277 14.188 -24.084 -9.987 1.00 0.00 O ATOM 152 CB ILE A 277 16.045 -26.509 -10.789 1.00 0.00 C ATOM 153 CG1 ILE A 277 17.299 -26.843 -11.600 1.00 0.00 C ATOM 154 CG2 ILE A 277 14.865 -26.286 -11.735 1.00 0.00 C ATOM 155 CD1 ILE A 277 17.124 -28.205 -12.275 1.00 0.00 C ATOM 0 H ILE A 277 17.876 -26.310 -9.121 1.00 0.00 H new ATOM 0 HA ILE A 277 16.660 -24.448 -10.624 1.00 0.00 H new ATOM 0 HB ILE A 277 15.820 -27.337 -10.117 1.00 0.00 H new ATOM 0 HG12 ILE A 277 17.475 -26.073 -12.351 1.00 0.00 H new ATOM 0 HG13 ILE A 277 18.173 -26.858 -10.949 1.00 0.00 H new ATOM 0 HG21 ILE A 277 14.690 -27.190 -12.318 1.00 0.00 H new ATOM 0 HG22 ILE A 277 13.973 -26.050 -11.155 1.00 0.00 H new ATOM 0 HG23 ILE A 277 15.090 -25.459 -12.408 1.00 0.00 H new ATOM 0 HD11 ILE A 277 18.017 -28.442 -12.853 1.00 0.00 H new ATOM 0 HD12 ILE A 277 16.969 -28.971 -11.515 1.00 0.00 H new ATOM 0 HD13 ILE A 277 16.260 -28.174 -12.939 1.00 0.00 H new ATOM 167 N ILE A 278 14.733 -25.193 -8.112 1.00 0.00 N ATOM 168 CA ILE A 278 13.504 -24.815 -7.432 1.00 0.00 C ATOM 169 C ILE A 278 13.304 -23.305 -7.509 1.00 0.00 C ATOM 170 O ILE A 278 12.182 -22.824 -7.662 1.00 0.00 O ATOM 171 CB ILE A 278 13.564 -25.253 -5.968 1.00 0.00 C ATOM 172 CG1 ILE A 278 13.748 -26.770 -5.898 1.00 0.00 C ATOM 173 CG2 ILE A 278 12.261 -24.867 -5.264 1.00 0.00 C ATOM 174 CD1 ILE A 278 13.942 -27.196 -4.442 1.00 0.00 C ATOM 0 H ILE A 278 15.365 -25.776 -7.563 1.00 0.00 H new ATOM 0 HA ILE A 278 12.665 -25.309 -7.921 1.00 0.00 H new ATOM 0 HB ILE A 278 14.403 -24.760 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 278 12.878 -27.272 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 278 14.610 -27.070 -6.493 1.00 0.00 H new ATOM 0 HG21 ILE A 278 12.305 -25.180 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 278 12.127 -23.786 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 278 11.422 -25.360 -5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 278 14.073 -28.277 -4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 278 14.825 -26.705 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 278 13.066 -26.910 -3.859 1.00 0.00 H new ATOM 186 N ASN A 279 14.401 -22.562 -7.403 1.00 0.00 N ATOM 187 CA ASN A 279 14.336 -21.106 -7.466 1.00 0.00 C ATOM 188 C ASN A 279 14.287 -20.621 -8.916 1.00 0.00 C ATOM 189 O ASN A 279 14.218 -19.419 -9.175 1.00 0.00 O ATOM 190 CB ASN A 279 15.547 -20.497 -6.757 1.00 0.00 C ATOM 191 CG ASN A 279 15.589 -20.969 -5.308 1.00 0.00 C ATOM 192 OD1 ASN A 279 15.367 -22.227 -5.036 1.00 0.00 O flip ATOM 193 ND2 ASN A 279 15.829 -20.174 -4.400 1.00 0.00 N flip ATOM 0 H ASN A 279 15.339 -22.940 -7.274 1.00 0.00 H new ATOM 0 HA ASN A 279 13.423 -20.785 -6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 279 16.464 -20.787 -7.270 1.00 0.00 H new ATOM 0 HB3 ASN A 279 15.492 -19.409 -6.793 1.00 0.00 H new ATOM 0 HD21 ASN A 279 16.002 -19.192 -4.614 1.00 0.00 H new ATOM 0 HD22 ASN A 279 15.855 -20.497 -3.433 1.00 0.00 H new ATOM 200 N LYS A 280 14.333 -21.560 -9.853 1.00 0.00 N ATOM 201 CA LYS A 280 14.303 -21.215 -11.273 1.00 0.00 C ATOM 202 C LYS A 280 13.089 -20.350 -11.606 1.00 0.00 C ATOM 203 O LYS A 280 13.152 -19.487 -12.482 1.00 0.00 O ATOM 204 CB LYS A 280 14.257 -22.493 -12.113 1.00 0.00 C ATOM 205 CG LYS A 280 14.288 -22.133 -13.600 1.00 0.00 C ATOM 206 CD LYS A 280 14.237 -23.413 -14.436 1.00 0.00 C ATOM 207 CE LYS A 280 12.896 -24.114 -14.214 1.00 0.00 C ATOM 208 NZ LYS A 280 12.560 -24.934 -15.413 1.00 0.00 N ATOM 0 H LYS A 280 14.391 -22.560 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 280 15.205 -20.648 -11.502 1.00 0.00 H new ATOM 0 HB2 LYS A 280 15.104 -23.133 -11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.353 -23.058 -11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 280 13.443 -21.491 -13.847 1.00 0.00 H new ATOM 0 HG3 LYS A 280 15.193 -21.571 -13.830 1.00 0.00 H new ATOM 0 HD2 LYS A 280 14.365 -23.176 -15.492 1.00 0.00 H new ATOM 0 HD3 LYS A 280 15.056 -24.075 -14.157 1.00 0.00 H new ATOM 0 HE2 LYS A 280 12.947 -24.748 -13.329 1.00 0.00 H new ATOM 0 HE3 LYS A 280 12.114 -23.377 -14.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 11.648 -25.411 -15.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 12.495 -24.318 -16.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 13.302 -25.646 -15.566 1.00 0.00 H new ATOM 222 N LYS A 281 11.982 -20.598 -10.917 1.00 0.00 N ATOM 223 CA LYS A 281 10.755 -19.846 -11.160 1.00 0.00 C ATOM 224 C LYS A 281 10.980 -18.343 -11.005 1.00 0.00 C ATOM 225 O LYS A 281 10.342 -17.542 -11.687 1.00 0.00 O ATOM 226 CB LYS A 281 9.664 -20.303 -10.188 1.00 0.00 C ATOM 227 CG LYS A 281 9.152 -21.688 -10.598 1.00 0.00 C ATOM 228 CD LYS A 281 10.222 -22.743 -10.307 1.00 0.00 C ATOM 229 CE LYS A 281 9.583 -24.133 -10.305 1.00 0.00 C ATOM 230 NZ LYS A 281 8.378 -24.130 -11.180 1.00 0.00 N ATOM 0 H LYS A 281 11.907 -21.309 -10.190 1.00 0.00 H new ATOM 0 HA LYS A 281 10.442 -20.039 -12.186 1.00 0.00 H new ATOM 0 HB2 LYS A 281 10.059 -20.337 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 281 8.842 -19.587 -10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 281 8.238 -21.924 -10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 281 8.901 -21.694 -11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 281 11.009 -22.694 -11.059 1.00 0.00 H new ATOM 0 HD3 LYS A 281 10.690 -22.545 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 281 10.300 -24.874 -10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 281 9.307 -24.416 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 8.114 -25.109 -11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 7.590 -23.666 -10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 8.587 -23.612 -12.057 1.00 0.00 H new ATOM 244 N LEU A 282 11.880 -17.963 -10.103 1.00 0.00 N ATOM 245 CA LEU A 282 12.160 -16.547 -9.878 1.00 0.00 C ATOM 246 C LEU A 282 12.722 -15.889 -11.137 1.00 0.00 C ATOM 247 O LEU A 282 12.411 -14.737 -11.434 1.00 0.00 O ATOM 248 CB LEU A 282 13.151 -16.382 -8.724 1.00 0.00 C ATOM 249 CG LEU A 282 12.422 -16.576 -7.391 1.00 0.00 C ATOM 250 CD1 LEU A 282 11.965 -18.030 -7.262 1.00 0.00 C ATOM 251 CD2 LEU A 282 13.371 -16.238 -6.238 1.00 0.00 C ATOM 0 H LEU A 282 12.421 -18.604 -9.523 1.00 0.00 H new ATOM 0 HA LEU A 282 11.221 -16.056 -9.623 1.00 0.00 H new ATOM 0 HB2 LEU A 282 13.958 -17.108 -8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 282 13.606 -15.392 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 282 11.553 -15.919 -7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 282 11.447 -18.166 -6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 282 11.290 -18.273 -8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 282 12.833 -18.689 -7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 282 12.854 -16.376 -5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 282 14.239 -16.896 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 282 13.697 -15.202 -6.327 1.00 0.00 H new ATOM 263 N ASP A 283 13.546 -16.629 -11.875 1.00 0.00 N ATOM 264 CA ASP A 283 14.140 -16.106 -13.106 1.00 0.00 C ATOM 265 C ASP A 283 13.538 -16.800 -14.324 1.00 0.00 C ATOM 266 O ASP A 283 12.966 -17.884 -14.212 1.00 0.00 O ATOM 267 CB ASP A 283 15.658 -16.311 -13.087 1.00 0.00 C ATOM 268 CG ASP A 283 16.288 -15.427 -12.016 1.00 0.00 C ATOM 269 OD1 ASP A 283 15.579 -14.604 -11.461 1.00 0.00 O ATOM 270 OD2 ASP A 283 17.472 -15.585 -11.765 1.00 0.00 O ATOM 0 H ASP A 283 13.817 -17.585 -11.646 1.00 0.00 H new ATOM 0 HA ASP A 283 13.925 -15.039 -13.168 1.00 0.00 H new ATOM 0 HB2 ASP A 283 15.890 -17.358 -12.890 1.00 0.00 H new ATOM 0 HB3 ASP A 283 16.078 -16.070 -14.063 1.00 0.00 H new ATOM 275 N LEU A 284 13.671 -16.170 -15.488 1.00 0.00 N ATOM 276 CA LEU A 284 13.133 -16.743 -16.718 1.00 0.00 C ATOM 277 C LEU A 284 14.197 -17.583 -17.421 1.00 0.00 C ATOM 278 O LEU A 284 15.392 -17.298 -17.324 1.00 0.00 O ATOM 279 CB LEU A 284 12.652 -15.634 -17.658 1.00 0.00 C ATOM 280 CG LEU A 284 11.595 -14.772 -16.960 1.00 0.00 C ATOM 281 CD1 LEU A 284 12.240 -13.960 -15.827 1.00 0.00 C ATOM 282 CD2 LEU A 284 10.972 -13.819 -17.988 1.00 0.00 C ATOM 0 H LEU A 284 14.141 -15.273 -15.605 1.00 0.00 H new ATOM 0 HA LEU A 284 12.288 -17.380 -16.458 1.00 0.00 H new ATOM 0 HB2 LEU A 284 13.495 -15.014 -17.962 1.00 0.00 H new ATOM 0 HB3 LEU A 284 12.234 -16.071 -18.565 1.00 0.00 H new ATOM 0 HG LEU A 284 10.824 -15.415 -16.535 1.00 0.00 H new ATOM 0 HD11 LEU A 284 11.480 -13.351 -15.338 1.00 0.00 H new ATOM 0 HD12 LEU A 284 12.684 -14.640 -15.100 1.00 0.00 H new ATOM 0 HD13 LEU A 284 13.014 -13.312 -16.239 1.00 0.00 H new ATOM 0 HD21 LEU A 284 10.218 -13.201 -17.501 1.00 0.00 H new ATOM 0 HD22 LEU A 284 11.748 -13.180 -18.409 1.00 0.00 H new ATOM 0 HD23 LEU A 284 10.506 -14.398 -18.786 1.00 0.00 H new ATOM 294 N SER A 285 13.758 -18.625 -18.119 1.00 0.00 N ATOM 295 CA SER A 285 14.678 -19.512 -18.825 1.00 0.00 C ATOM 296 C SER A 285 15.540 -18.739 -19.824 1.00 0.00 C ATOM 297 O SER A 285 15.349 -18.851 -21.034 1.00 0.00 O ATOM 298 CB SER A 285 13.890 -20.596 -19.562 1.00 0.00 C ATOM 299 OG SER A 285 13.627 -21.672 -18.673 1.00 0.00 O ATOM 0 H SER A 285 12.774 -18.876 -18.211 1.00 0.00 H new ATOM 0 HA SER A 285 15.337 -19.970 -18.087 1.00 0.00 H new ATOM 0 HB2 SER A 285 12.954 -20.186 -19.942 1.00 0.00 H new ATOM 0 HB3 SER A 285 14.456 -20.951 -20.423 1.00 0.00 H new ATOM 0 HG SER A 285 13.121 -22.368 -19.142 1.00 0.00 H new ATOM 305 N ASN A 286 16.494 -17.971 -19.304 1.00 0.00 N ATOM 306 CA ASN A 286 17.402 -17.189 -20.145 1.00 0.00 C ATOM 307 C ASN A 286 16.653 -16.159 -20.992 1.00 0.00 C ATOM 308 O ASN A 286 17.198 -15.103 -21.312 1.00 0.00 O ATOM 309 CB ASN A 286 18.205 -18.116 -21.061 1.00 0.00 C ATOM 310 CG ASN A 286 19.060 -19.061 -20.224 1.00 0.00 C ATOM 311 OD1 ASN A 286 19.816 -18.574 -19.279 1.00 0.00 O flip ATOM 312 ND2 ASN A 286 19.038 -20.273 -20.438 1.00 0.00 N flip ATOM 0 H ASN A 286 16.660 -17.872 -18.302 1.00 0.00 H new ATOM 0 HA ASN A 286 18.077 -16.651 -19.479 1.00 0.00 H new ATOM 0 HB2 ASN A 286 17.529 -18.689 -21.695 1.00 0.00 H new ATOM 0 HB3 ASN A 286 18.840 -17.527 -21.722 1.00 0.00 H new ATOM 0 HD21 ASN A 286 18.445 -20.650 -21.178 1.00 0.00 H new ATOM 0 HD22 ASN A 286 19.612 -20.901 -19.875 1.00 0.00 H new ATOM 319 N VAL A 287 15.407 -16.456 -21.352 1.00 0.00 N ATOM 320 CA VAL A 287 14.625 -15.526 -22.154 1.00 0.00 C ATOM 321 C VAL A 287 14.495 -14.198 -21.419 1.00 0.00 C ATOM 322 O VAL A 287 13.990 -13.217 -21.966 1.00 0.00 O ATOM 323 CB VAL A 287 13.239 -16.104 -22.444 1.00 0.00 C ATOM 324 CG1 VAL A 287 13.383 -17.460 -23.136 1.00 0.00 C ATOM 325 CG2 VAL A 287 12.478 -16.283 -21.132 1.00 0.00 C ATOM 0 H VAL A 287 14.925 -17.320 -21.105 1.00 0.00 H new ATOM 0 HA VAL A 287 15.136 -15.363 -23.103 1.00 0.00 H new ATOM 0 HB VAL A 287 12.692 -15.421 -23.094 1.00 0.00 H new ATOM 0 HG11 VAL A 287 12.394 -17.870 -23.342 1.00 0.00 H new ATOM 0 HG12 VAL A 287 13.926 -17.335 -24.073 1.00 0.00 H new ATOM 0 HG13 VAL A 287 13.931 -18.143 -22.487 1.00 0.00 H new ATOM 0 HG21 VAL A 287 11.490 -16.695 -21.338 1.00 0.00 H new ATOM 0 HG22 VAL A 287 13.027 -16.965 -20.483 1.00 0.00 H new ATOM 0 HG23 VAL A 287 12.373 -15.317 -20.638 1.00 0.00 H new ATOM 335 N GLN A 288 14.960 -14.180 -20.173 1.00 0.00 N ATOM 336 CA GLN A 288 14.903 -12.971 -19.358 1.00 0.00 C ATOM 337 C GLN A 288 15.397 -11.772 -20.158 1.00 0.00 C ATOM 338 O GLN A 288 14.976 -10.639 -19.926 1.00 0.00 O ATOM 339 CB GLN A 288 15.778 -13.141 -18.115 1.00 0.00 C ATOM 340 CG GLN A 288 15.532 -11.979 -17.151 1.00 0.00 C ATOM 341 CD GLN A 288 16.501 -12.067 -15.977 1.00 0.00 C ATOM 342 OE1 GLN A 288 17.655 -11.652 -16.090 1.00 0.00 O ATOM 343 NE2 GLN A 288 16.103 -12.596 -14.853 1.00 0.00 N ATOM 0 H GLN A 288 15.379 -14.985 -19.707 1.00 0.00 H new ATOM 0 HA GLN A 288 13.869 -12.802 -19.058 1.00 0.00 H new ATOM 0 HB2 GLN A 288 15.551 -14.088 -17.625 1.00 0.00 H new ATOM 0 HB3 GLN A 288 16.830 -13.174 -18.400 1.00 0.00 H new ATOM 0 HG2 GLN A 288 15.662 -11.030 -17.671 1.00 0.00 H new ATOM 0 HG3 GLN A 288 14.504 -12.006 -16.789 1.00 0.00 H new ATOM 0 HE21 GLN A 288 15.147 -12.939 -14.761 1.00 0.00 H new ATOM 0 HE22 GLN A 288 16.748 -12.666 -14.066 1.00 0.00 H new ATOM 352 N SER A 289 16.291 -12.034 -21.103 1.00 0.00 N ATOM 353 CA SER A 289 16.839 -10.974 -21.937 1.00 0.00 C ATOM 354 C SER A 289 15.712 -10.174 -22.580 1.00 0.00 C ATOM 355 O SER A 289 15.908 -9.039 -23.014 1.00 0.00 O ATOM 356 CB SER A 289 17.727 -11.578 -23.023 1.00 0.00 C ATOM 357 OG SER A 289 16.914 -12.252 -23.974 1.00 0.00 O ATOM 0 H SER A 289 16.650 -12.966 -21.310 1.00 0.00 H new ATOM 0 HA SER A 289 17.434 -10.307 -21.313 1.00 0.00 H new ATOM 0 HB2 SER A 289 18.306 -10.795 -23.513 1.00 0.00 H new ATOM 0 HB3 SER A 289 18.441 -12.273 -22.580 1.00 0.00 H new ATOM 0 HG SER A 289 17.481 -12.639 -24.673 1.00 0.00 H new ATOM 363 N LYS A 290 14.530 -10.777 -22.629 1.00 0.00 N ATOM 364 CA LYS A 290 13.368 -10.119 -23.213 1.00 0.00 C ATOM 365 C LYS A 290 13.145 -8.761 -22.557 1.00 0.00 C ATOM 366 O LYS A 290 12.461 -7.898 -23.106 1.00 0.00 O ATOM 367 CB LYS A 290 12.127 -10.996 -23.030 1.00 0.00 C ATOM 368 CG LYS A 290 11.814 -11.142 -21.540 1.00 0.00 C ATOM 369 CD LYS A 290 10.840 -12.307 -21.334 1.00 0.00 C ATOM 370 CE LYS A 290 9.574 -12.075 -22.160 1.00 0.00 C ATOM 371 NZ LYS A 290 8.521 -13.041 -21.736 1.00 0.00 N ATOM 0 H LYS A 290 14.351 -11.716 -22.273 1.00 0.00 H new ATOM 0 HA LYS A 290 13.547 -9.969 -24.278 1.00 0.00 H new ATOM 0 HB2 LYS A 290 11.277 -10.553 -23.548 1.00 0.00 H new ATOM 0 HB3 LYS A 290 12.295 -11.977 -23.474 1.00 0.00 H new ATOM 0 HG2 LYS A 290 12.732 -11.319 -20.980 1.00 0.00 H new ATOM 0 HG3 LYS A 290 11.380 -10.219 -21.157 1.00 0.00 H new ATOM 0 HD2 LYS A 290 11.312 -13.244 -21.630 1.00 0.00 H new ATOM 0 HD3 LYS A 290 10.585 -12.398 -20.278 1.00 0.00 H new ATOM 0 HE2 LYS A 290 9.221 -11.053 -22.025 1.00 0.00 H new ATOM 0 HE3 LYS A 290 9.791 -12.199 -23.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 7.621 -12.798 -22.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 8.802 -14.004 -22.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 8.404 -12.996 -20.704 1.00 0.00 H new ATOM 385 N CYS A 291 13.736 -8.581 -21.379 1.00 0.00 N ATOM 386 CA CYS A 291 13.608 -7.326 -20.648 1.00 0.00 C ATOM 387 C CYS A 291 12.229 -6.709 -20.861 1.00 0.00 C ATOM 388 O CYS A 291 12.107 -5.610 -21.402 1.00 0.00 O ATOM 389 CB CYS A 291 14.686 -6.343 -21.110 1.00 0.00 C ATOM 390 SG CYS A 291 14.956 -6.536 -22.890 1.00 0.00 S ATOM 0 H CYS A 291 14.306 -9.286 -20.912 1.00 0.00 H new ATOM 0 HA CYS A 291 13.734 -7.536 -19.586 1.00 0.00 H new ATOM 0 HB2 CYS A 291 14.381 -5.321 -20.886 1.00 0.00 H new ATOM 0 HB3 CYS A 291 15.615 -6.524 -20.569 1.00 0.00 H new ATOM 0 HG CYS A 291 15.565 -7.662 -23.117 1.00 0.00 H new ATOM 396 N GLY A 292 11.196 -7.420 -20.424 1.00 0.00 N ATOM 397 CA GLY A 292 9.829 -6.929 -20.565 1.00 0.00 C ATOM 398 C GLY A 292 9.324 -7.076 -21.997 1.00 0.00 C ATOM 399 O GLY A 292 9.202 -8.186 -22.517 1.00 0.00 O ATOM 0 H GLY A 292 11.277 -8.331 -19.973 1.00 0.00 H new ATOM 0 HA2 GLY A 292 9.173 -7.478 -19.889 1.00 0.00 H new ATOM 0 HA3 GLY A 292 9.786 -5.881 -20.269 1.00 0.00 H new ATOM 403 N SER A 293 9.012 -5.946 -22.616 1.00 0.00 N ATOM 404 CA SER A 293 8.492 -5.931 -23.980 1.00 0.00 C ATOM 405 C SER A 293 9.116 -7.014 -24.854 1.00 0.00 C ATOM 406 O SER A 293 10.320 -7.016 -25.106 1.00 0.00 O ATOM 407 CB SER A 293 8.740 -4.565 -24.612 1.00 0.00 C ATOM 408 OG SER A 293 10.026 -4.094 -24.227 1.00 0.00 O ATOM 0 H SER A 293 9.110 -5.022 -22.194 1.00 0.00 H new ATOM 0 HA SER A 293 7.423 -6.133 -23.919 1.00 0.00 H new ATOM 0 HB2 SER A 293 8.677 -4.637 -25.698 1.00 0.00 H new ATOM 0 HB3 SER A 293 7.972 -3.860 -24.294 1.00 0.00 H new ATOM 0 HG SER A 293 10.686 -4.808 -24.350 1.00 0.00 H new ATOM 414 N LYS A 294 8.257 -7.908 -25.335 1.00 0.00 N ATOM 415 CA LYS A 294 8.660 -8.997 -26.216 1.00 0.00 C ATOM 416 C LYS A 294 7.438 -9.838 -26.556 1.00 0.00 C ATOM 417 O LYS A 294 6.901 -9.756 -27.661 1.00 0.00 O ATOM 418 CB LYS A 294 9.732 -9.877 -25.570 1.00 0.00 C ATOM 419 CG LYS A 294 10.222 -10.899 -26.600 1.00 0.00 C ATOM 420 CD LYS A 294 11.307 -11.782 -25.981 1.00 0.00 C ATOM 421 CE LYS A 294 11.896 -12.697 -27.057 1.00 0.00 C ATOM 422 NZ LYS A 294 12.876 -11.932 -27.879 1.00 0.00 N ATOM 0 H LYS A 294 7.259 -7.897 -25.124 1.00 0.00 H new ATOM 0 HA LYS A 294 9.087 -8.568 -27.122 1.00 0.00 H new ATOM 0 HB2 LYS A 294 10.564 -9.264 -25.222 1.00 0.00 H new ATOM 0 HB3 LYS A 294 9.325 -10.387 -24.697 1.00 0.00 H new ATOM 0 HG2 LYS A 294 9.389 -11.515 -26.939 1.00 0.00 H new ATOM 0 HG3 LYS A 294 10.616 -10.385 -27.477 1.00 0.00 H new ATOM 0 HD2 LYS A 294 12.091 -11.162 -25.547 1.00 0.00 H new ATOM 0 HD3 LYS A 294 10.887 -12.379 -25.171 1.00 0.00 H new ATOM 0 HE2 LYS A 294 12.385 -13.554 -26.593 1.00 0.00 H new ATOM 0 HE3 LYS A 294 11.101 -13.089 -27.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 13.374 -12.582 -28.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 12.374 -11.213 -28.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 13.565 -11.466 -27.254 1.00 0.00 H new ATOM 436 N ASP A 295 6.986 -10.625 -25.587 1.00 0.00 N ATOM 437 CA ASP A 295 5.804 -11.453 -25.778 1.00 0.00 C ATOM 438 C ASP A 295 4.578 -10.709 -25.265 1.00 0.00 C ATOM 439 O ASP A 295 3.733 -10.264 -26.041 1.00 0.00 O ATOM 440 CB ASP A 295 5.958 -12.777 -25.027 1.00 0.00 C ATOM 441 CG ASP A 295 7.066 -13.611 -25.663 1.00 0.00 C ATOM 442 OD1 ASP A 295 7.495 -13.261 -26.749 1.00 0.00 O ATOM 443 OD2 ASP A 295 7.467 -14.588 -25.053 1.00 0.00 O ATOM 0 H ASP A 295 7.418 -10.706 -24.667 1.00 0.00 H new ATOM 0 HA ASP A 295 5.685 -11.666 -26.840 1.00 0.00 H new ATOM 0 HB2 ASP A 295 6.191 -12.586 -23.980 1.00 0.00 H new ATOM 0 HB3 ASP A 295 5.018 -13.329 -25.049 1.00 0.00 H new ATOM 448 N ASN A 296 4.504 -10.565 -23.947 1.00 0.00 N ATOM 449 CA ASN A 296 3.395 -9.860 -23.320 1.00 0.00 C ATOM 450 C ASN A 296 3.864 -9.211 -22.021 1.00 0.00 C ATOM 451 O ASN A 296 3.089 -8.557 -21.324 1.00 0.00 O ATOM 452 CB ASN A 296 2.250 -10.832 -23.029 1.00 0.00 C ATOM 453 CG ASN A 296 0.963 -10.057 -22.769 1.00 0.00 C ATOM 454 OD1 ASN A 296 0.875 -8.872 -23.088 1.00 0.00 O ATOM 455 ND2 ASN A 296 -0.049 -10.660 -22.205 1.00 0.00 N ATOM 0 H ASN A 296 5.198 -10.927 -23.293 1.00 0.00 H new ATOM 0 HA ASN A 296 3.038 -9.087 -24.000 1.00 0.00 H new ATOM 0 HB2 ASN A 296 2.113 -11.509 -23.872 1.00 0.00 H new ATOM 0 HB3 ASN A 296 2.495 -11.447 -22.163 1.00 0.00 H new ATOM 0 HD21 ASN A 296 -0.914 -10.148 -22.029 1.00 0.00 H new ATOM 0 HD22 ASN A 296 0.025 -11.642 -21.941 1.00 0.00 H new ATOM 462 N ILE A 297 5.140 -9.407 -21.703 1.00 0.00 N ATOM 463 CA ILE A 297 5.717 -8.848 -20.487 1.00 0.00 C ATOM 464 C ILE A 297 5.834 -7.329 -20.601 1.00 0.00 C ATOM 465 O ILE A 297 6.221 -6.655 -19.647 1.00 0.00 O ATOM 466 CB ILE A 297 7.094 -9.459 -20.237 1.00 0.00 C ATOM 467 CG1 ILE A 297 7.045 -10.960 -20.529 1.00 0.00 C ATOM 468 CG2 ILE A 297 7.494 -9.248 -18.775 1.00 0.00 C ATOM 469 CD1 ILE A 297 5.823 -11.576 -19.844 1.00 0.00 C ATOM 0 H ILE A 297 5.793 -9.948 -22.270 1.00 0.00 H new ATOM 0 HA ILE A 297 5.062 -9.085 -19.649 1.00 0.00 H new ATOM 0 HB ILE A 297 7.823 -8.978 -20.889 1.00 0.00 H new ATOM 0 HG12 ILE A 297 6.996 -11.130 -21.605 1.00 0.00 H new ATOM 0 HG13 ILE A 297 7.956 -11.440 -20.171 1.00 0.00 H new ATOM 0 HG21 ILE A 297 8.477 -9.685 -18.600 1.00 0.00 H new ATOM 0 HG22 ILE A 297 7.528 -8.180 -18.557 1.00 0.00 H new ATOM 0 HG23 ILE A 297 6.763 -9.728 -18.125 1.00 0.00 H new ATOM 0 HD11 ILE A 297 5.789 -12.645 -20.053 1.00 0.00 H new ATOM 0 HD12 ILE A 297 5.891 -11.418 -18.768 1.00 0.00 H new ATOM 0 HD13 ILE A 297 4.917 -11.104 -20.223 1.00 0.00 H new ATOM 481 N LYS A 298 5.503 -6.796 -21.775 1.00 0.00 N ATOM 482 CA LYS A 298 5.584 -5.353 -21.996 1.00 0.00 C ATOM 483 C LYS A 298 4.998 -4.596 -20.810 1.00 0.00 C ATOM 484 O LYS A 298 5.178 -3.385 -20.681 1.00 0.00 O ATOM 485 CB LYS A 298 4.823 -4.975 -23.270 1.00 0.00 C ATOM 486 CG LYS A 298 3.338 -5.306 -23.097 1.00 0.00 C ATOM 487 CD LYS A 298 2.582 -4.962 -24.383 1.00 0.00 C ATOM 488 CE LYS A 298 3.053 -5.875 -25.517 1.00 0.00 C ATOM 489 NZ LYS A 298 1.960 -6.025 -26.519 1.00 0.00 N ATOM 0 H LYS A 298 5.180 -7.333 -22.579 1.00 0.00 H new ATOM 0 HA LYS A 298 6.634 -5.080 -22.105 1.00 0.00 H new ATOM 0 HB2 LYS A 298 4.947 -3.912 -23.479 1.00 0.00 H new ATOM 0 HB3 LYS A 298 5.230 -5.517 -24.124 1.00 0.00 H new ATOM 0 HG2 LYS A 298 3.216 -6.364 -22.863 1.00 0.00 H new ATOM 0 HG3 LYS A 298 2.925 -4.744 -22.259 1.00 0.00 H new ATOM 0 HD2 LYS A 298 1.510 -5.081 -24.229 1.00 0.00 H new ATOM 0 HD3 LYS A 298 2.752 -3.919 -24.648 1.00 0.00 H new ATOM 0 HE2 LYS A 298 3.941 -5.456 -25.991 1.00 0.00 H new ATOM 0 HE3 LYS A 298 3.334 -6.851 -25.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 2.279 -6.645 -27.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 1.125 -6.443 -26.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 1.713 -5.092 -26.905 1.00 0.00 H new ATOM 503 N HIS A 299 4.308 -5.324 -19.944 1.00 0.00 N ATOM 504 CA HIS A 299 3.706 -4.727 -18.762 1.00 0.00 C ATOM 505 C HIS A 299 4.766 -4.427 -17.717 1.00 0.00 C ATOM 506 O HIS A 299 5.957 -4.617 -17.948 1.00 0.00 O ATOM 507 CB HIS A 299 2.696 -5.701 -18.150 1.00 0.00 C ATOM 508 CG HIS A 299 3.437 -6.818 -17.468 1.00 0.00 C ATOM 509 ND1 HIS A 299 4.351 -6.585 -16.455 1.00 0.00 N ATOM 510 CD2 HIS A 299 3.432 -8.168 -17.663 1.00 0.00 C ATOM 511 CE1 HIS A 299 4.858 -7.766 -16.087 1.00 0.00 C ATOM 512 NE2 HIS A 299 4.333 -8.772 -16.791 1.00 0.00 N ATOM 0 H HIS A 299 4.152 -6.328 -20.038 1.00 0.00 H new ATOM 0 HA HIS A 299 3.213 -3.802 -19.062 1.00 0.00 H new ATOM 0 HB2 HIS A 299 2.059 -5.181 -17.435 1.00 0.00 H new ATOM 0 HB3 HIS A 299 2.043 -6.102 -18.926 1.00 0.00 H new ATOM 0 HD2 HIS A 299 2.821 -8.689 -18.385 1.00 0.00 H new ATOM 0 HE1 HIS A 299 5.602 -7.891 -15.314 1.00 0.00 H new ATOM 0 HE2 HIS A 299 4.546 -9.766 -16.708 1.00 0.00 H new ATOM 521 N VAL A 300 4.291 -4.009 -16.553 1.00 0.00 N ATOM 522 CA VAL A 300 5.141 -3.718 -15.407 1.00 0.00 C ATOM 523 C VAL A 300 4.256 -3.310 -14.236 1.00 0.00 C ATOM 524 O VAL A 300 4.086 -2.123 -13.965 1.00 0.00 O ATOM 525 CB VAL A 300 6.126 -2.577 -15.695 1.00 0.00 C ATOM 526 CG1 VAL A 300 7.361 -3.077 -16.471 1.00 0.00 C ATOM 527 CG2 VAL A 300 5.421 -1.474 -16.493 1.00 0.00 C ATOM 0 H VAL A 300 3.298 -3.861 -16.375 1.00 0.00 H new ATOM 0 HA VAL A 300 5.718 -4.614 -15.180 1.00 0.00 H new ATOM 0 HB VAL A 300 6.469 -2.179 -14.740 1.00 0.00 H new ATOM 0 HG11 VAL A 300 8.036 -2.242 -16.657 1.00 0.00 H new ATOM 0 HG12 VAL A 300 7.877 -3.837 -15.884 1.00 0.00 H new ATOM 0 HG13 VAL A 300 7.044 -3.506 -17.422 1.00 0.00 H new ATOM 0 HG21 VAL A 300 6.124 -0.666 -16.695 1.00 0.00 H new ATOM 0 HG22 VAL A 300 5.057 -1.883 -17.435 1.00 0.00 H new ATOM 0 HG23 VAL A 300 4.581 -1.088 -15.916 1.00 0.00 H new ATOM 537 N PRO A 301 3.684 -4.260 -13.551 1.00 0.00 N ATOM 538 CA PRO A 301 2.799 -3.951 -12.409 1.00 0.00 C ATOM 539 C PRO A 301 3.353 -2.823 -11.548 1.00 0.00 C ATOM 540 O PRO A 301 4.551 -2.761 -11.280 1.00 0.00 O ATOM 541 CB PRO A 301 2.747 -5.282 -11.679 1.00 0.00 C ATOM 542 CG PRO A 301 2.731 -6.287 -12.787 1.00 0.00 C ATOM 543 CD PRO A 301 3.483 -5.654 -13.969 1.00 0.00 C ATOM 0 HA PRO A 301 1.814 -3.585 -12.698 1.00 0.00 H new ATOM 0 HB2 PRO A 301 3.610 -5.417 -11.027 1.00 0.00 H new ATOM 0 HB3 PRO A 301 1.859 -5.362 -11.052 1.00 0.00 H new ATOM 0 HG2 PRO A 301 3.211 -7.215 -12.475 1.00 0.00 H new ATOM 0 HG3 PRO A 301 1.708 -6.537 -13.068 1.00 0.00 H new ATOM 0 HD2 PRO A 301 4.432 -6.157 -14.155 1.00 0.00 H new ATOM 0 HD3 PRO A 301 2.904 -5.716 -14.891 1.00 0.00 H new ATOM 551 N GLY A 302 2.471 -1.912 -11.159 1.00 0.00 N ATOM 552 CA GLY A 302 2.876 -0.758 -10.372 1.00 0.00 C ATOM 553 C GLY A 302 3.158 0.405 -11.315 1.00 0.00 C ATOM 554 O GLY A 302 3.616 1.470 -10.900 1.00 0.00 O ATOM 0 H GLY A 302 1.475 -1.950 -11.375 1.00 0.00 H new ATOM 0 HA2 GLY A 302 2.091 -0.489 -9.665 1.00 0.00 H new ATOM 0 HA3 GLY A 302 3.765 -0.993 -9.787 1.00 0.00 H new ATOM 558 N GLY A 303 2.874 0.172 -12.595 1.00 0.00 N ATOM 559 CA GLY A 303 3.086 1.179 -13.628 1.00 0.00 C ATOM 560 C GLY A 303 2.781 0.597 -15.008 1.00 0.00 C ATOM 561 O GLY A 303 2.758 1.316 -16.006 1.00 0.00 O ATOM 0 H GLY A 303 2.495 -0.710 -12.941 1.00 0.00 H new ATOM 0 HA2 GLY A 303 2.447 2.042 -13.441 1.00 0.00 H new ATOM 0 HA3 GLY A 303 4.117 1.532 -13.595 1.00 0.00 H new ATOM 565 N GLY A 304 2.544 -0.714 -15.050 1.00 0.00 N ATOM 566 CA GLY A 304 2.236 -1.396 -16.306 1.00 0.00 C ATOM 567 C GLY A 304 0.754 -1.275 -16.636 1.00 0.00 C ATOM 568 O GLY A 304 0.019 -0.544 -15.971 1.00 0.00 O ATOM 0 H GLY A 304 2.559 -1.323 -14.232 1.00 0.00 H new ATOM 0 HA2 GLY A 304 2.829 -0.967 -17.113 1.00 0.00 H new ATOM 0 HA3 GLY A 304 2.512 -2.448 -16.232 1.00 0.00 H new ATOM 572 N SER A 305 0.317 -2.002 -17.656 1.00 0.00 N ATOM 573 CA SER A 305 -1.085 -1.975 -18.054 1.00 0.00 C ATOM 574 C SER A 305 -1.929 -2.709 -17.016 1.00 0.00 C ATOM 575 O SER A 305 -3.058 -3.114 -17.289 1.00 0.00 O ATOM 576 CB SER A 305 -1.259 -2.628 -19.431 1.00 0.00 C ATOM 577 OG SER A 305 -1.996 -3.835 -19.294 1.00 0.00 O ATOM 0 H SER A 305 0.908 -2.614 -18.219 1.00 0.00 H new ATOM 0 HA SER A 305 -1.416 -0.938 -18.116 1.00 0.00 H new ATOM 0 HB2 SER A 305 -1.778 -1.947 -20.105 1.00 0.00 H new ATOM 0 HB3 SER A 305 -0.284 -2.833 -19.874 1.00 0.00 H new ATOM 0 HG SER A 305 -2.899 -3.632 -18.971 1.00 0.00 H new ATOM 583 N VAL A 306 -1.360 -2.882 -15.825 1.00 0.00 N ATOM 584 CA VAL A 306 -2.045 -3.572 -14.738 1.00 0.00 C ATOM 585 C VAL A 306 -2.778 -4.805 -15.254 1.00 0.00 C ATOM 586 O VAL A 306 -3.693 -5.312 -14.606 1.00 0.00 O ATOM 587 CB VAL A 306 -3.029 -2.620 -14.037 1.00 0.00 C ATOM 588 CG1 VAL A 306 -4.125 -2.167 -15.010 1.00 0.00 C ATOM 589 CG2 VAL A 306 -3.671 -3.331 -12.838 1.00 0.00 C ATOM 0 H VAL A 306 -0.424 -2.552 -15.589 1.00 0.00 H new ATOM 0 HA VAL A 306 -1.296 -3.898 -14.016 1.00 0.00 H new ATOM 0 HB VAL A 306 -2.480 -1.744 -13.693 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -4.812 -1.494 -14.497 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -3.671 -1.647 -15.854 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -4.672 -3.037 -15.372 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -4.367 -2.654 -12.344 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -4.208 -4.215 -13.184 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -2.895 -3.630 -12.134 1.00 0.00 H new ATOM 599 N GLN A 307 -2.364 -5.295 -16.419 1.00 0.00 N ATOM 600 CA GLN A 307 -2.992 -6.480 -16.991 1.00 0.00 C ATOM 601 C GLN A 307 -2.837 -7.661 -16.038 1.00 0.00 C ATOM 602 O GLN A 307 -3.782 -8.418 -15.813 1.00 0.00 O ATOM 603 CB GLN A 307 -2.352 -6.816 -18.337 1.00 0.00 C ATOM 604 CG GLN A 307 -0.855 -6.524 -18.271 1.00 0.00 C ATOM 605 CD GLN A 307 -0.135 -7.245 -19.405 1.00 0.00 C ATOM 606 OE1 GLN A 307 0.181 -8.428 -19.287 1.00 0.00 O ATOM 607 NE2 GLN A 307 0.145 -6.598 -20.504 1.00 0.00 N ATOM 0 H GLN A 307 -1.609 -4.897 -16.977 1.00 0.00 H new ATOM 0 HA GLN A 307 -4.052 -6.278 -17.143 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -2.519 -7.865 -18.580 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -2.814 -6.228 -19.129 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -0.682 -5.450 -18.343 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -0.455 -6.848 -17.310 1.00 0.00 H new ATOM 0 HE21 GLN A 307 -0.118 -5.617 -20.599 1.00 0.00 H new ATOM 0 HE22 GLN A 307 0.627 -7.073 -21.267 1.00 0.00 H new ATOM 616 N ILE A 308 -1.642 -7.801 -15.461 1.00 0.00 N ATOM 617 CA ILE A 308 -1.376 -8.877 -14.509 1.00 0.00 C ATOM 618 C ILE A 308 -0.872 -8.284 -13.202 1.00 0.00 C ATOM 619 O ILE A 308 -0.459 -7.127 -13.155 1.00 0.00 O ATOM 620 CB ILE A 308 -0.346 -9.884 -15.072 1.00 0.00 C ATOM 621 CG1 ILE A 308 1.106 -9.425 -14.816 1.00 0.00 C ATOM 622 CG2 ILE A 308 -0.563 -10.042 -16.577 1.00 0.00 C ATOM 623 CD1 ILE A 308 1.379 -8.086 -15.497 1.00 0.00 C ATOM 0 H ILE A 308 -0.848 -7.185 -15.636 1.00 0.00 H new ATOM 0 HA ILE A 308 -2.305 -9.418 -14.331 1.00 0.00 H new ATOM 0 HB ILE A 308 -0.495 -10.835 -14.560 1.00 0.00 H new ATOM 0 HG12 ILE A 308 1.280 -9.335 -13.744 1.00 0.00 H new ATOM 0 HG13 ILE A 308 1.801 -10.177 -15.190 1.00 0.00 H new ATOM 0 HG21 ILE A 308 0.162 -10.751 -16.977 1.00 0.00 H new ATOM 0 HG22 ILE A 308 -1.572 -10.411 -16.762 1.00 0.00 H new ATOM 0 HG23 ILE A 308 -0.434 -9.077 -17.067 1.00 0.00 H new ATOM 0 HD11 ILE A 308 2.408 -7.782 -15.303 1.00 0.00 H new ATOM 0 HD12 ILE A 308 1.227 -8.187 -16.572 1.00 0.00 H new ATOM 0 HD13 ILE A 308 0.698 -7.332 -15.103 1.00 0.00 H new ATOM 635 N VAL A 309 -0.893 -9.082 -12.146 1.00 0.00 N ATOM 636 CA VAL A 309 -0.408 -8.621 -10.852 1.00 0.00 C ATOM 637 C VAL A 309 0.570 -9.642 -10.290 1.00 0.00 C ATOM 638 O VAL A 309 0.167 -10.660 -9.726 1.00 0.00 O ATOM 639 CB VAL A 309 -1.578 -8.424 -9.884 1.00 0.00 C ATOM 640 CG1 VAL A 309 -2.401 -9.714 -9.792 1.00 0.00 C ATOM 641 CG2 VAL A 309 -1.035 -8.065 -8.498 1.00 0.00 C ATOM 0 H VAL A 309 -1.237 -10.042 -12.157 1.00 0.00 H new ATOM 0 HA VAL A 309 0.098 -7.664 -10.978 1.00 0.00 H new ATOM 0 HB VAL A 309 -2.215 -7.618 -10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -3.232 -9.567 -9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -2.789 -9.969 -10.778 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -1.768 -10.524 -9.431 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -1.866 -7.924 -7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -0.396 -8.871 -8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -0.456 -7.144 -8.562 1.00 0.00 H new ATOM 651 N TYR A 310 1.860 -9.373 -10.460 1.00 0.00 N ATOM 652 CA TYR A 310 2.891 -10.284 -9.978 1.00 0.00 C ATOM 653 C TYR A 310 4.255 -9.884 -10.553 1.00 0.00 C ATOM 654 O TYR A 310 5.296 -10.238 -10.001 1.00 0.00 O ATOM 655 CB TYR A 310 2.501 -11.738 -10.346 1.00 0.00 C ATOM 656 CG TYR A 310 3.670 -12.514 -10.908 1.00 0.00 C ATOM 657 CD1 TYR A 310 4.815 -12.738 -10.134 1.00 0.00 C ATOM 658 CD2 TYR A 310 3.595 -13.018 -12.209 1.00 0.00 C ATOM 659 CE1 TYR A 310 5.886 -13.466 -10.667 1.00 0.00 C ATOM 660 CE2 TYR A 310 4.661 -13.744 -12.743 1.00 0.00 C ATOM 661 CZ TYR A 310 5.809 -13.969 -11.973 1.00 0.00 C ATOM 662 OH TYR A 310 6.864 -14.687 -12.500 1.00 0.00 O ATOM 0 H TYR A 310 2.215 -8.537 -10.925 1.00 0.00 H new ATOM 0 HA TYR A 310 2.971 -10.224 -8.893 1.00 0.00 H new ATOM 0 HB2 TYR A 310 2.121 -12.246 -9.460 1.00 0.00 H new ATOM 0 HB3 TYR A 310 1.692 -11.722 -11.076 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.872 -12.350 -9.128 1.00 0.00 H new ATOM 0 HD2 TYR A 310 2.710 -12.845 -12.803 1.00 0.00 H new ATOM 0 HE1 TYR A 310 6.771 -13.640 -10.072 1.00 0.00 H new ATOM 0 HE2 TYR A 310 4.601 -14.132 -13.749 1.00 0.00 H new ATOM 0 HH TYR A 310 6.647 -14.963 -13.415 1.00 0.00 H new ATOM 672 N LYS A 311 4.241 -9.124 -11.649 1.00 0.00 N ATOM 673 CA LYS A 311 5.486 -8.665 -12.262 1.00 0.00 C ATOM 674 C LYS A 311 6.286 -9.839 -12.832 1.00 0.00 C ATOM 675 O LYS A 311 7.353 -10.188 -12.327 1.00 0.00 O ATOM 676 CB LYS A 311 6.318 -7.904 -11.212 1.00 0.00 C ATOM 677 CG LYS A 311 6.952 -6.661 -11.846 1.00 0.00 C ATOM 678 CD LYS A 311 8.160 -6.222 -11.016 1.00 0.00 C ATOM 679 CE LYS A 311 8.796 -4.986 -11.655 1.00 0.00 C ATOM 680 NZ LYS A 311 10.025 -4.612 -10.900 1.00 0.00 N ATOM 0 H LYS A 311 3.393 -8.817 -12.125 1.00 0.00 H new ATOM 0 HA LYS A 311 5.246 -7.998 -13.090 1.00 0.00 H new ATOM 0 HB2 LYS A 311 5.683 -7.612 -10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 311 7.095 -8.554 -10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 311 7.260 -6.879 -12.869 1.00 0.00 H new ATOM 0 HG3 LYS A 311 6.221 -5.854 -11.898 1.00 0.00 H new ATOM 0 HD2 LYS A 311 7.851 -5.998 -9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 311 8.889 -7.031 -10.959 1.00 0.00 H new ATOM 0 HE2 LYS A 311 9.044 -5.189 -12.697 1.00 0.00 H new ATOM 0 HE3 LYS A 311 8.088 -4.157 -11.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 10.457 -3.772 -11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 9.775 -4.401 -9.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 10.702 -5.401 -10.925 1.00 0.00 H new ATOM 694 N PRO A 312 5.790 -10.445 -13.877 1.00 0.00 N ATOM 695 CA PRO A 312 6.478 -11.592 -14.527 1.00 0.00 C ATOM 696 C PRO A 312 7.869 -11.217 -15.031 1.00 0.00 C ATOM 697 O PRO A 312 8.293 -10.103 -14.768 1.00 0.00 O ATOM 698 CB PRO A 312 5.553 -11.946 -15.689 1.00 0.00 C ATOM 699 CG PRO A 312 4.181 -11.530 -15.254 1.00 0.00 C ATOM 700 CD PRO A 312 4.344 -10.469 -14.155 1.00 0.00 C ATOM 701 OXT PRO A 312 8.489 -12.050 -15.671 1.00 0.00 O ATOM 0 HA PRO A 312 6.644 -12.420 -13.837 1.00 0.00 H new ATOM 0 HB2 PRO A 312 5.850 -11.425 -16.599 1.00 0.00 H new ATOM 0 HB3 PRO A 312 5.588 -13.013 -15.907 1.00 0.00 H new ATOM 0 HG2 PRO A 312 3.618 -11.126 -16.096 1.00 0.00 H new ATOM 0 HG3 PRO A 312 3.622 -12.387 -14.879 1.00 0.00 H new ATOM 0 HD2 PRO A 312 3.988 -9.494 -14.488 1.00 0.00 H new ATOM 0 HD3 PRO A 312 3.773 -10.730 -13.264 1.00 0.00 H new TER 709 PRO A 312