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 293 SER OG : rot 55:sc= -1.86! USER MOD Set 1.2: A 299 HIS : no HE2:sc= -10.7! C(o=-13!,f=-16!) USER MOD Set 2.1: A 269 GLN :FLIP amide:sc= 0.871 F(o=0.64!,f=1.9) USER MOD Set 2.2: A 285 SER OG : rot -30:sc= 1.04 USER MOD Single : A 267 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 268 HIS :FLIP no HD1:sc= -0.194 F(o=-1.3,f=-0.19) USER MOD Single : A 274 LYS NZ :NH3+ 161:sc= -0.0221 (180deg=-0.358) USER MOD Single : A 276 GLN :FLIP amide:sc= -0.67 F(o=-3.2!,f=-0.67) USER MOD Single : A 279 ASN :FLIP amide:sc= -2 F(o=-10!,f=-2) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 ASN : amide:sc= -0.611 K(o=-0.61,f=-1.9!) USER MOD Single : A 288 GLN : amide:sc= -0.799 K(o=-0.8,f=-1.8!) USER MOD Single : A 289 SER OG : rot -41:sc= 0.186 USER MOD Single : A 290 LYS NZ :NH3+ -151:sc= -3.11 (180deg=-4.38!) USER MOD Single : A 291 CYS SG : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 ASN : amide:sc= -0.0135 X(o=-0.014,f=-0.037) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 305 SER OG : rot 170:sc= -0.894! USER MOD Single : A 307 GLN :FLIP amide:sc= -3.8! C(o=-4.3!,f=-3.8!) 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 20.593 -9.820 -9.515 1.00 0.00 N ATOM 2 CA LYS A 267 20.749 -8.701 -10.437 1.00 0.00 C ATOM 3 C LYS A 267 21.765 -9.039 -11.522 1.00 0.00 C ATOM 4 O LYS A 267 21.401 -9.299 -12.669 1.00 0.00 O ATOM 5 CB LYS A 267 21.209 -7.457 -9.676 1.00 0.00 C ATOM 6 CG LYS A 267 20.129 -7.043 -8.674 1.00 0.00 C ATOM 7 CD LYS A 267 20.534 -5.730 -8.001 1.00 0.00 C ATOM 8 CE LYS A 267 19.514 -5.378 -6.916 1.00 0.00 C ATOM 9 NZ LYS A 267 19.834 -4.036 -6.351 1.00 0.00 N ATOM 0 HA LYS A 267 19.785 -8.504 -10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 267 22.144 -7.662 -9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 267 21.404 -6.643 -10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 267 19.172 -6.923 -9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 267 19.996 -7.823 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 267 21.528 -5.824 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 267 20.585 -4.931 -8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 267 18.507 -5.378 -7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 267 19.531 -6.130 -6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 19.141 -3.796 -5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 20.788 -4.052 -5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 19.796 -3.323 -7.107 1.00 0.00 H new ATOM 23 N HIS A 268 23.042 -9.032 -11.152 1.00 0.00 N ATOM 24 CA HIS A 268 24.104 -9.338 -12.102 1.00 0.00 C ATOM 25 C HIS A 268 23.992 -10.781 -12.583 1.00 0.00 C ATOM 26 O HIS A 268 24.476 -11.123 -13.660 1.00 0.00 O ATOM 27 CB HIS A 268 25.470 -9.120 -11.449 1.00 0.00 C ATOM 28 CG HIS A 268 25.719 -10.198 -10.430 1.00 0.00 C ATOM 29 ND1 HIS A 268 24.940 -10.702 -9.419 1.00 0.00 N flip ATOM 30 CD2 HIS A 268 26.910 -10.905 -10.379 1.00 0.00 C flip ATOM 31 CE1 HIS A 268 25.634 -11.704 -8.748 1.00 0.00 C flip ATOM 32 NE2 HIS A 268 26.815 -11.787 -9.366 1.00 0.00 N flip ATOM 0 H HIS A 268 23.364 -8.819 -10.208 1.00 0.00 H new ATOM 0 HA HIS A 268 24.002 -8.672 -12.959 1.00 0.00 H new ATOM 0 HB2 HIS A 268 26.253 -9.134 -12.207 1.00 0.00 H new ATOM 0 HB3 HIS A 268 25.505 -8.140 -10.973 1.00 0.00 H new ATOM 0 HD2 HIS A 268 27.759 -10.773 -11.033 1.00 0.00 H new ATOM 0 HE1 HIS A 268 25.291 -12.289 -7.908 1.00 0.00 H new ATOM 0 HE2 HIS A 268 27.554 -12.439 -9.103 1.00 0.00 H new ATOM 41 N GLN A 269 23.347 -11.620 -11.774 1.00 0.00 N ATOM 42 CA GLN A 269 23.167 -13.032 -12.111 1.00 0.00 C ATOM 43 C GLN A 269 24.452 -13.816 -11.813 1.00 0.00 C ATOM 44 O GLN A 269 25.556 -13.303 -11.993 1.00 0.00 O ATOM 45 CB GLN A 269 22.735 -13.181 -13.594 1.00 0.00 C ATOM 46 CG GLN A 269 23.853 -13.792 -14.455 1.00 0.00 C ATOM 47 CD GLN A 269 23.507 -13.651 -15.933 1.00 0.00 C ATOM 48 OE1 GLN A 269 22.887 -12.581 -16.349 1.00 0.00 O flip ATOM 49 NE2 GLN A 269 23.810 -14.538 -16.729 1.00 0.00 N flip ATOM 0 H GLN A 269 22.940 -11.347 -10.880 1.00 0.00 H new ATOM 0 HA GLN A 269 22.373 -13.449 -11.492 1.00 0.00 H new ATOM 0 HB2 GLN A 269 21.846 -13.809 -13.652 1.00 0.00 H new ATOM 0 HB3 GLN A 269 22.461 -12.204 -13.993 1.00 0.00 H new ATOM 0 HG2 GLN A 269 24.799 -13.293 -14.245 1.00 0.00 H new ATOM 0 HG3 GLN A 269 23.984 -14.844 -14.202 1.00 0.00 H new ATOM 0 HE21 GLN A 269 24.295 -15.374 -16.401 1.00 0.00 H new ATOM 0 HE22 GLN A 269 23.577 -14.438 -17.717 1.00 0.00 H new ATOM 58 N PRO A 270 24.322 -15.034 -11.354 1.00 0.00 N ATOM 59 CA PRO A 270 25.500 -15.890 -11.016 1.00 0.00 C ATOM 60 C PRO A 270 26.488 -16.005 -12.174 1.00 0.00 C ATOM 61 O PRO A 270 27.700 -16.046 -11.966 1.00 0.00 O ATOM 62 CB PRO A 270 24.875 -17.250 -10.700 1.00 0.00 C ATOM 63 CG PRO A 270 23.611 -17.285 -11.488 1.00 0.00 C ATOM 64 CD PRO A 270 23.106 -15.844 -11.540 1.00 0.00 C ATOM 0 HA PRO A 270 26.081 -15.475 -10.193 1.00 0.00 H new ATOM 0 HB2 PRO A 270 25.540 -18.066 -10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 270 24.678 -17.356 -9.633 1.00 0.00 H new ATOM 0 HG2 PRO A 270 23.787 -17.673 -12.491 1.00 0.00 H new ATOM 0 HG3 PRO A 270 22.876 -17.939 -11.018 1.00 0.00 H new ATOM 0 HD2 PRO A 270 22.622 -15.625 -12.492 1.00 0.00 H new ATOM 0 HD3 PRO A 270 22.373 -15.649 -10.757 1.00 0.00 H new ATOM 72 N GLY A 271 25.962 -16.061 -13.393 1.00 0.00 N ATOM 73 CA GLY A 271 26.809 -16.175 -14.573 1.00 0.00 C ATOM 74 C GLY A 271 27.723 -17.389 -14.461 1.00 0.00 C ATOM 75 O GLY A 271 27.465 -18.431 -15.063 1.00 0.00 O ATOM 0 H GLY A 271 24.961 -16.030 -13.588 1.00 0.00 H new ATOM 0 HA2 GLY A 271 26.189 -16.261 -15.465 1.00 0.00 H new ATOM 0 HA3 GLY A 271 27.408 -15.271 -14.686 1.00 0.00 H new ATOM 79 N GLY A 272 28.790 -17.248 -13.684 1.00 0.00 N ATOM 80 CA GLY A 272 29.737 -18.340 -13.494 1.00 0.00 C ATOM 81 C GLY A 272 29.034 -19.584 -12.960 1.00 0.00 C ATOM 82 O GLY A 272 29.445 -20.709 -13.242 1.00 0.00 O ATOM 0 H GLY A 272 29.021 -16.393 -13.178 1.00 0.00 H new ATOM 0 HA2 GLY A 272 30.226 -18.572 -14.440 1.00 0.00 H new ATOM 0 HA3 GLY A 272 30.518 -18.032 -12.799 1.00 0.00 H new ATOM 86 N GLY A 273 27.973 -19.374 -12.186 1.00 0.00 N ATOM 87 CA GLY A 273 27.224 -20.489 -11.616 1.00 0.00 C ATOM 88 C GLY A 273 27.845 -20.945 -10.301 1.00 0.00 C ATOM 89 O GLY A 273 27.634 -22.076 -9.863 1.00 0.00 O ATOM 0 H GLY A 273 27.615 -18.451 -11.941 1.00 0.00 H new ATOM 0 HA2 GLY A 273 26.189 -20.190 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 273 27.206 -21.319 -12.322 1.00 0.00 H new ATOM 93 N LYS A 274 28.616 -20.060 -9.678 1.00 0.00 N ATOM 94 CA LYS A 274 29.270 -20.387 -8.415 1.00 0.00 C ATOM 95 C LYS A 274 28.246 -20.779 -7.354 1.00 0.00 C ATOM 96 O LYS A 274 28.460 -21.731 -6.603 1.00 0.00 O ATOM 97 CB LYS A 274 30.082 -19.189 -7.922 1.00 0.00 C ATOM 98 CG LYS A 274 31.223 -18.905 -8.902 1.00 0.00 C ATOM 99 CD LYS A 274 32.104 -17.783 -8.348 1.00 0.00 C ATOM 100 CE LYS A 274 33.178 -17.423 -9.375 1.00 0.00 C ATOM 101 NZ LYS A 274 32.543 -16.748 -10.543 1.00 0.00 N ATOM 0 H LYS A 274 28.803 -19.118 -10.023 1.00 0.00 H new ATOM 0 HA LYS A 274 29.934 -21.234 -8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 274 29.439 -18.313 -7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 274 30.484 -19.393 -6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 274 31.817 -19.806 -9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 274 30.820 -18.619 -9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 274 31.496 -16.908 -8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 274 32.570 -18.099 -7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 274 33.923 -16.768 -8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 274 33.700 -18.322 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 33.266 -16.225 -11.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 32.105 -17.461 -11.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 31.814 -16.086 -10.208 1.00 0.00 H new ATOM 115 N VAL A 275 27.133 -20.047 -7.297 1.00 0.00 N ATOM 116 CA VAL A 275 26.085 -20.335 -6.320 1.00 0.00 C ATOM 117 C VAL A 275 24.966 -19.297 -6.416 1.00 0.00 C ATOM 118 O VAL A 275 24.080 -19.408 -7.263 1.00 0.00 O ATOM 119 CB VAL A 275 26.677 -20.348 -4.899 1.00 0.00 C ATOM 120 CG1 VAL A 275 27.629 -19.153 -4.719 1.00 0.00 C ATOM 121 CG2 VAL A 275 25.547 -20.288 -3.851 1.00 0.00 C ATOM 0 H VAL A 275 26.935 -19.257 -7.911 1.00 0.00 H new ATOM 0 HA VAL A 275 25.666 -21.317 -6.537 1.00 0.00 H new ATOM 0 HB VAL A 275 27.236 -21.273 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 275 28.045 -19.168 -3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 275 28.438 -19.220 -5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 275 27.080 -18.224 -4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 275 25.978 -20.298 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 275 24.971 -19.373 -3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 275 24.892 -21.151 -3.972 1.00 0.00 H new ATOM 131 N GLN A 276 25.009 -18.294 -5.542 1.00 0.00 N ATOM 132 CA GLN A 276 23.987 -17.252 -5.539 1.00 0.00 C ATOM 133 C GLN A 276 22.626 -17.856 -5.849 1.00 0.00 C ATOM 134 O GLN A 276 22.206 -18.820 -5.209 1.00 0.00 O ATOM 135 CB GLN A 276 24.326 -16.195 -6.591 1.00 0.00 C ATOM 136 CG GLN A 276 25.817 -15.875 -6.522 1.00 0.00 C ATOM 137 CD GLN A 276 26.173 -15.359 -5.133 1.00 0.00 C ATOM 138 OE1 GLN A 276 27.101 -15.962 -4.442 1.00 0.00 O flip ATOM 139 NE2 GLN A 276 25.589 -14.383 -4.663 1.00 0.00 N flip ATOM 0 H GLN A 276 25.734 -18.181 -4.833 1.00 0.00 H new ATOM 0 HA GLN A 276 23.957 -16.789 -4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 276 24.066 -16.558 -7.585 1.00 0.00 H new ATOM 0 HB3 GLN A 276 23.740 -15.292 -6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 276 26.400 -16.768 -6.748 1.00 0.00 H new ATOM 0 HG3 GLN A 276 26.073 -15.128 -7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 276 24.864 -13.913 -5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 276 25.830 -14.044 -3.732 1.00 0.00 H new ATOM 148 N ILE A 277 21.947 -17.300 -6.846 1.00 0.00 N ATOM 149 CA ILE A 277 20.643 -17.814 -7.245 1.00 0.00 C ATOM 150 C ILE A 277 20.789 -18.625 -8.523 1.00 0.00 C ATOM 151 O ILE A 277 21.066 -18.076 -9.590 1.00 0.00 O ATOM 152 CB ILE A 277 19.665 -16.658 -7.476 1.00 0.00 C ATOM 153 CG1 ILE A 277 19.683 -15.716 -6.261 1.00 0.00 C ATOM 154 CG2 ILE A 277 18.254 -17.220 -7.668 1.00 0.00 C ATOM 155 CD1 ILE A 277 20.731 -14.617 -6.470 1.00 0.00 C ATOM 0 H ILE A 277 22.274 -16.501 -7.388 1.00 0.00 H new ATOM 0 HA ILE A 277 20.253 -18.450 -6.450 1.00 0.00 H new ATOM 0 HB ILE A 277 19.961 -16.103 -8.366 1.00 0.00 H new ATOM 0 HG12 ILE A 277 18.698 -15.270 -6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 277 19.910 -16.280 -5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 277 17.555 -16.400 -7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 277 18.242 -17.886 -8.531 1.00 0.00 H new ATOM 0 HG23 ILE A 277 17.959 -17.775 -6.777 1.00 0.00 H new ATOM 0 HD11 ILE A 277 20.739 -13.953 -5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 277 21.715 -15.070 -6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 277 20.485 -14.045 -7.365 1.00 0.00 H new ATOM 167 N ILE A 278 20.607 -19.933 -8.408 1.00 0.00 N ATOM 168 CA ILE A 278 20.729 -20.811 -9.561 1.00 0.00 C ATOM 169 C ILE A 278 19.623 -20.525 -10.569 1.00 0.00 C ATOM 170 O ILE A 278 19.806 -20.701 -11.773 1.00 0.00 O ATOM 171 CB ILE A 278 20.675 -22.270 -9.108 1.00 0.00 C ATOM 172 CG1 ILE A 278 21.868 -22.549 -8.182 1.00 0.00 C ATOM 173 CG2 ILE A 278 20.755 -23.186 -10.331 1.00 0.00 C ATOM 174 CD1 ILE A 278 21.656 -21.870 -6.823 1.00 0.00 C ATOM 0 H ILE A 278 20.376 -20.406 -7.534 1.00 0.00 H new ATOM 0 HA ILE A 278 21.688 -20.626 -10.046 1.00 0.00 H new ATOM 0 HB ILE A 278 19.742 -22.458 -8.576 1.00 0.00 H new ATOM 0 HG12 ILE A 278 21.987 -23.624 -8.045 1.00 0.00 H new ATOM 0 HG13 ILE A 278 22.787 -22.182 -8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 278 20.717 -24.227 -10.009 1.00 0.00 H new ATOM 0 HG22 ILE A 278 19.916 -22.980 -10.995 1.00 0.00 H new ATOM 0 HG23 ILE A 278 21.690 -23.004 -10.861 1.00 0.00 H new ATOM 0 HD11 ILE A 278 22.509 -22.076 -6.176 1.00 0.00 H new ATOM 0 HD12 ILE A 278 21.560 -20.794 -6.965 1.00 0.00 H new ATOM 0 HD13 ILE A 278 20.748 -22.257 -6.360 1.00 0.00 H new ATOM 186 N ASN A 279 18.480 -20.070 -10.069 1.00 0.00 N ATOM 187 CA ASN A 279 17.358 -19.748 -10.938 1.00 0.00 C ATOM 188 C ASN A 279 17.630 -18.441 -11.674 1.00 0.00 C ATOM 189 O ASN A 279 16.993 -17.422 -11.411 1.00 0.00 O ATOM 190 CB ASN A 279 16.075 -19.621 -10.113 1.00 0.00 C ATOM 191 CG ASN A 279 14.862 -19.578 -11.037 1.00 0.00 C ATOM 192 OD1 ASN A 279 14.937 -18.933 -12.169 1.00 0.00 O flip ATOM 193 ND2 ASN A 279 13.816 -20.143 -10.716 1.00 0.00 N flip ATOM 0 H ASN A 279 18.308 -19.917 -9.075 1.00 0.00 H new ATOM 0 HA ASN A 279 17.234 -20.549 -11.666 1.00 0.00 H new ATOM 0 HB2 ASN A 279 15.990 -20.463 -9.426 1.00 0.00 H new ATOM 0 HB3 ASN A 279 16.112 -18.717 -9.505 1.00 0.00 H new ATOM 0 HD21 ASN A 279 13.759 -20.647 -9.831 1.00 0.00 H new ATOM 0 HD22 ASN A 279 13.006 -20.107 -11.335 1.00 0.00 H new ATOM 200 N LYS A 280 18.587 -18.479 -12.594 1.00 0.00 N ATOM 201 CA LYS A 280 18.950 -17.294 -13.362 1.00 0.00 C ATOM 202 C LYS A 280 17.727 -16.716 -14.058 1.00 0.00 C ATOM 203 O LYS A 280 17.577 -15.499 -14.167 1.00 0.00 O ATOM 204 CB LYS A 280 19.983 -17.672 -14.418 1.00 0.00 C ATOM 205 CG LYS A 280 21.203 -18.291 -13.739 1.00 0.00 C ATOM 206 CD LYS A 280 22.261 -18.607 -14.795 1.00 0.00 C ATOM 207 CE LYS A 280 21.670 -19.573 -15.825 1.00 0.00 C ATOM 208 NZ LYS A 280 22.764 -20.382 -16.433 1.00 0.00 N ATOM 0 H LYS A 280 19.124 -19.315 -12.826 1.00 0.00 H new ATOM 0 HA LYS A 280 19.361 -16.549 -12.680 1.00 0.00 H new ATOM 0 HB2 LYS A 280 19.552 -18.378 -15.128 1.00 0.00 H new ATOM 0 HB3 LYS A 280 20.278 -16.789 -14.986 1.00 0.00 H new ATOM 0 HG2 LYS A 280 21.608 -17.604 -12.996 1.00 0.00 H new ATOM 0 HG3 LYS A 280 20.917 -19.200 -13.210 1.00 0.00 H new ATOM 0 HD2 LYS A 280 22.589 -17.690 -15.285 1.00 0.00 H new ATOM 0 HD3 LYS A 280 23.140 -19.049 -14.326 1.00 0.00 H new ATOM 0 HE2 LYS A 280 20.941 -20.228 -15.348 1.00 0.00 H new ATOM 0 HE3 LYS A 280 21.141 -19.017 -16.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 22.363 -21.038 -17.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 23.444 -19.750 -16.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 23.250 -20.923 -15.690 1.00 0.00 H new ATOM 222 N LYS A 281 16.859 -17.601 -14.525 1.00 0.00 N ATOM 223 CA LYS A 281 15.650 -17.180 -15.210 1.00 0.00 C ATOM 224 C LYS A 281 14.843 -16.244 -14.321 1.00 0.00 C ATOM 225 O LYS A 281 14.144 -15.355 -14.806 1.00 0.00 O ATOM 226 CB LYS A 281 14.809 -18.404 -15.576 1.00 0.00 C ATOM 227 CG LYS A 281 15.516 -19.209 -16.674 1.00 0.00 C ATOM 228 CD LYS A 281 16.705 -19.979 -16.083 1.00 0.00 C ATOM 229 CE LYS A 281 17.115 -21.094 -17.047 1.00 0.00 C ATOM 230 NZ LYS A 281 18.495 -21.552 -16.719 1.00 0.00 N ATOM 0 H LYS A 281 16.970 -18.611 -14.442 1.00 0.00 H new ATOM 0 HA LYS A 281 15.926 -16.649 -16.121 1.00 0.00 H new ATOM 0 HB2 LYS A 281 14.656 -19.028 -14.696 1.00 0.00 H new ATOM 0 HB3 LYS A 281 13.823 -18.090 -15.920 1.00 0.00 H new ATOM 0 HG2 LYS A 281 14.815 -19.905 -17.134 1.00 0.00 H new ATOM 0 HG3 LYS A 281 15.862 -18.539 -17.461 1.00 0.00 H new ATOM 0 HD2 LYS A 281 17.543 -19.303 -15.914 1.00 0.00 H new ATOM 0 HD3 LYS A 281 16.435 -20.401 -15.115 1.00 0.00 H new ATOM 0 HE2 LYS A 281 16.417 -21.928 -16.974 1.00 0.00 H new ATOM 0 HE3 LYS A 281 17.075 -20.734 -18.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 18.774 -22.310 -17.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 19.156 -20.755 -16.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 18.519 -21.911 -15.743 1.00 0.00 H new ATOM 244 N LEU A 282 14.954 -16.449 -13.013 1.00 0.00 N ATOM 245 CA LEU A 282 14.235 -15.612 -12.057 1.00 0.00 C ATOM 246 C LEU A 282 14.684 -14.160 -12.181 1.00 0.00 C ATOM 247 O LEU A 282 13.879 -13.237 -12.056 1.00 0.00 O ATOM 248 CB LEU A 282 14.489 -16.110 -10.631 1.00 0.00 C ATOM 249 CG LEU A 282 13.636 -15.311 -9.642 1.00 0.00 C ATOM 250 CD1 LEU A 282 12.156 -15.656 -9.834 1.00 0.00 C ATOM 251 CD2 LEU A 282 14.057 -15.662 -8.213 1.00 0.00 C ATOM 0 H LEU A 282 15.529 -17.179 -12.593 1.00 0.00 H new ATOM 0 HA LEU A 282 13.169 -15.672 -12.275 1.00 0.00 H new ATOM 0 HB2 LEU A 282 14.249 -17.171 -10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 282 15.545 -16.005 -10.382 1.00 0.00 H new ATOM 0 HG LEU A 282 13.782 -14.245 -9.819 1.00 0.00 H new ATOM 0 HD11 LEU A 282 11.554 -15.084 -9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 282 11.854 -15.408 -10.852 1.00 0.00 H new ATOM 0 HD13 LEU A 282 12.005 -16.721 -9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 282 13.452 -15.095 -7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 282 13.911 -16.729 -8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 282 15.109 -15.413 -8.072 1.00 0.00 H new ATOM 263 N ASP A 283 15.977 -13.968 -12.432 1.00 0.00 N ATOM 264 CA ASP A 283 16.533 -12.625 -12.577 1.00 0.00 C ATOM 265 C ASP A 283 16.837 -12.330 -14.042 1.00 0.00 C ATOM 266 O ASP A 283 17.051 -13.246 -14.836 1.00 0.00 O ATOM 267 CB ASP A 283 17.816 -12.500 -11.753 1.00 0.00 C ATOM 268 CG ASP A 283 17.494 -12.605 -10.266 1.00 0.00 C ATOM 269 OD1 ASP A 283 16.326 -12.521 -9.926 1.00 0.00 O ATOM 270 OD2 ASP A 283 18.420 -12.767 -9.489 1.00 0.00 O ATOM 0 H ASP A 283 16.656 -14.721 -12.539 1.00 0.00 H new ATOM 0 HA ASP A 283 15.798 -11.905 -12.216 1.00 0.00 H new ATOM 0 HB2 ASP A 283 18.518 -13.284 -12.037 1.00 0.00 H new ATOM 0 HB3 ASP A 283 18.301 -11.546 -11.962 1.00 0.00 H new ATOM 275 N LEU A 284 16.858 -11.049 -14.395 1.00 0.00 N ATOM 276 CA LEU A 284 17.141 -10.648 -15.770 1.00 0.00 C ATOM 277 C LEU A 284 18.597 -10.207 -15.899 1.00 0.00 C ATOM 278 O LEU A 284 19.187 -9.691 -14.949 1.00 0.00 O ATOM 279 CB LEU A 284 16.217 -9.505 -16.187 1.00 0.00 C ATOM 280 CG LEU A 284 14.776 -9.841 -15.806 1.00 0.00 C ATOM 281 CD1 LEU A 284 13.845 -8.735 -16.311 1.00 0.00 C ATOM 282 CD2 LEU A 284 14.378 -11.174 -16.442 1.00 0.00 C ATOM 0 H LEU A 284 16.684 -10.275 -13.754 1.00 0.00 H new ATOM 0 HA LEU A 284 16.967 -11.502 -16.425 1.00 0.00 H new ATOM 0 HB2 LEU A 284 16.525 -8.580 -15.701 1.00 0.00 H new ATOM 0 HB3 LEU A 284 16.290 -9.340 -17.262 1.00 0.00 H new ATOM 0 HG LEU A 284 14.694 -9.918 -14.722 1.00 0.00 H new ATOM 0 HD11 LEU A 284 12.816 -8.973 -16.040 1.00 0.00 H new ATOM 0 HD12 LEU A 284 14.129 -7.785 -15.858 1.00 0.00 H new ATOM 0 HD13 LEU A 284 13.926 -8.658 -17.395 1.00 0.00 H new ATOM 0 HD21 LEU A 284 13.350 -11.414 -16.170 1.00 0.00 H new ATOM 0 HD22 LEU A 284 14.459 -11.098 -17.526 1.00 0.00 H new ATOM 0 HD23 LEU A 284 15.041 -11.961 -16.083 1.00 0.00 H new ATOM 294 N SER A 285 19.175 -10.426 -17.076 1.00 0.00 N ATOM 295 CA SER A 285 20.569 -10.061 -17.319 1.00 0.00 C ATOM 296 C SER A 285 20.785 -8.552 -17.169 1.00 0.00 C ATOM 297 O SER A 285 21.076 -7.857 -18.143 1.00 0.00 O ATOM 298 CB SER A 285 20.974 -10.506 -18.727 1.00 0.00 C ATOM 299 OG SER A 285 21.559 -11.800 -18.658 1.00 0.00 O ATOM 0 H SER A 285 18.704 -10.852 -17.874 1.00 0.00 H new ATOM 0 HA SER A 285 21.190 -10.564 -16.577 1.00 0.00 H new ATOM 0 HB2 SER A 285 20.102 -10.522 -19.381 1.00 0.00 H new ATOM 0 HB3 SER A 285 21.681 -9.796 -19.156 1.00 0.00 H new ATOM 0 HG SER A 285 22.001 -11.913 -17.791 1.00 0.00 H new ATOM 305 N ASN A 286 20.654 -8.054 -15.945 1.00 0.00 N ATOM 306 CA ASN A 286 20.852 -6.629 -15.679 1.00 0.00 C ATOM 307 C ASN A 286 19.859 -5.765 -16.458 1.00 0.00 C ATOM 308 O ASN A 286 19.548 -4.648 -16.045 1.00 0.00 O ATOM 309 CB ASN A 286 22.279 -6.226 -16.055 1.00 0.00 C ATOM 310 CG ASN A 286 22.612 -4.867 -15.448 1.00 0.00 C ATOM 311 OD1 ASN A 286 21.760 -4.242 -14.817 1.00 0.00 O ATOM 312 ND2 ASN A 286 23.809 -4.370 -15.602 1.00 0.00 N ATOM 0 H ASN A 286 20.413 -8.609 -15.124 1.00 0.00 H new ATOM 0 HA ASN A 286 20.684 -6.464 -14.615 1.00 0.00 H new ATOM 0 HB2 ASN A 286 22.984 -6.976 -15.697 1.00 0.00 H new ATOM 0 HB3 ASN A 286 22.381 -6.184 -17.139 1.00 0.00 H new ATOM 0 HD21 ASN A 286 24.040 -3.462 -15.199 1.00 0.00 H new ATOM 0 HD22 ASN A 286 24.514 -4.890 -16.125 1.00 0.00 H new ATOM 319 N VAL A 287 19.359 -6.278 -17.579 1.00 0.00 N ATOM 320 CA VAL A 287 18.401 -5.531 -18.384 1.00 0.00 C ATOM 321 C VAL A 287 17.263 -5.022 -17.509 1.00 0.00 C ATOM 322 O VAL A 287 16.422 -4.243 -17.959 1.00 0.00 O ATOM 323 CB VAL A 287 17.849 -6.414 -19.503 1.00 0.00 C ATOM 324 CG1 VAL A 287 17.154 -7.632 -18.898 1.00 0.00 C ATOM 325 CG2 VAL A 287 16.843 -5.613 -20.333 1.00 0.00 C ATOM 0 H VAL A 287 19.599 -7.199 -17.947 1.00 0.00 H new ATOM 0 HA VAL A 287 18.910 -4.677 -18.830 1.00 0.00 H new ATOM 0 HB VAL A 287 18.668 -6.745 -20.142 1.00 0.00 H new ATOM 0 HG11 VAL A 287 16.761 -8.261 -19.697 1.00 0.00 H new ATOM 0 HG12 VAL A 287 17.870 -8.203 -18.306 1.00 0.00 H new ATOM 0 HG13 VAL A 287 16.335 -7.303 -18.259 1.00 0.00 H new ATOM 0 HG21 VAL A 287 16.448 -6.241 -21.132 1.00 0.00 H new ATOM 0 HG22 VAL A 287 16.025 -5.282 -19.693 1.00 0.00 H new ATOM 0 HG23 VAL A 287 17.339 -4.744 -20.766 1.00 0.00 H new ATOM 335 N GLN A 288 17.243 -5.473 -16.257 1.00 0.00 N ATOM 336 CA GLN A 288 16.202 -5.060 -15.317 1.00 0.00 C ATOM 337 C GLN A 288 15.899 -3.573 -15.480 1.00 0.00 C ATOM 338 O GLN A 288 14.854 -3.088 -15.044 1.00 0.00 O ATOM 339 CB GLN A 288 16.659 -5.324 -13.880 1.00 0.00 C ATOM 340 CG GLN A 288 16.902 -6.821 -13.685 1.00 0.00 C ATOM 341 CD GLN A 288 17.374 -7.099 -12.262 1.00 0.00 C ATOM 342 OE1 GLN A 288 17.656 -6.168 -11.508 1.00 0.00 O ATOM 343 NE2 GLN A 288 17.481 -8.333 -11.850 1.00 0.00 N ATOM 0 H GLN A 288 17.930 -6.120 -15.871 1.00 0.00 H new ATOM 0 HA GLN A 288 15.301 -5.636 -15.527 1.00 0.00 H new ATOM 0 HB2 GLN A 288 17.572 -4.767 -13.670 1.00 0.00 H new ATOM 0 HB3 GLN A 288 15.903 -4.974 -13.177 1.00 0.00 H new ATOM 0 HG2 GLN A 288 15.985 -7.375 -13.886 1.00 0.00 H new ATOM 0 HG3 GLN A 288 17.648 -7.171 -14.398 1.00 0.00 H new ATOM 0 HE21 GLN A 288 17.246 -9.102 -12.477 1.00 0.00 H new ATOM 0 HE22 GLN A 288 17.799 -8.528 -10.901 1.00 0.00 H new ATOM 352 N SER A 289 16.821 -2.859 -16.113 1.00 0.00 N ATOM 353 CA SER A 289 16.660 -1.427 -16.338 1.00 0.00 C ATOM 354 C SER A 289 15.280 -1.115 -16.911 1.00 0.00 C ATOM 355 O SER A 289 14.890 0.048 -17.012 1.00 0.00 O ATOM 356 CB SER A 289 17.735 -0.934 -17.304 1.00 0.00 C ATOM 357 OG SER A 289 17.657 0.481 -17.412 1.00 0.00 O ATOM 0 H SER A 289 17.689 -3.248 -16.480 1.00 0.00 H new ATOM 0 HA SER A 289 16.761 -0.917 -15.380 1.00 0.00 H new ATOM 0 HB2 SER A 289 18.722 -1.229 -16.949 1.00 0.00 H new ATOM 0 HB3 SER A 289 17.598 -1.393 -18.283 1.00 0.00 H new ATOM 0 HG SER A 289 16.717 0.754 -17.459 1.00 0.00 H new ATOM 363 N LYS A 290 14.546 -2.158 -17.292 1.00 0.00 N ATOM 364 CA LYS A 290 13.213 -1.973 -17.861 1.00 0.00 C ATOM 365 C LYS A 290 12.362 -1.084 -16.961 1.00 0.00 C ATOM 366 O LYS A 290 11.477 -0.372 -17.436 1.00 0.00 O ATOM 367 CB LYS A 290 12.523 -3.328 -18.031 1.00 0.00 C ATOM 368 CG LYS A 290 13.272 -4.157 -19.072 1.00 0.00 C ATOM 369 CD LYS A 290 12.523 -5.469 -19.318 1.00 0.00 C ATOM 370 CE LYS A 290 13.332 -6.361 -20.264 1.00 0.00 C ATOM 371 NZ LYS A 290 14.222 -7.251 -19.466 1.00 0.00 N ATOM 0 H LYS A 290 14.847 -3.130 -17.218 1.00 0.00 H new ATOM 0 HA LYS A 290 13.321 -1.493 -18.833 1.00 0.00 H new ATOM 0 HB2 LYS A 290 12.499 -3.857 -17.078 1.00 0.00 H new ATOM 0 HB3 LYS A 290 11.488 -3.184 -18.342 1.00 0.00 H new ATOM 0 HG2 LYS A 290 13.361 -3.597 -20.003 1.00 0.00 H new ATOM 0 HG3 LYS A 290 14.285 -4.364 -18.727 1.00 0.00 H new ATOM 0 HD2 LYS A 290 12.355 -5.985 -18.373 1.00 0.00 H new ATOM 0 HD3 LYS A 290 11.543 -5.263 -19.748 1.00 0.00 H new ATOM 0 HE2 LYS A 290 12.661 -6.958 -20.881 1.00 0.00 H new ATOM 0 HE3 LYS A 290 13.926 -5.747 -20.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 15.072 -7.479 -20.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 14.500 -6.767 -18.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 13.716 -8.129 -19.232 1.00 0.00 H new ATOM 385 N CYS A 291 12.633 -1.130 -15.662 1.00 0.00 N ATOM 386 CA CYS A 291 11.882 -0.323 -14.708 1.00 0.00 C ATOM 387 C CYS A 291 10.415 -0.741 -14.686 1.00 0.00 C ATOM 388 O CYS A 291 9.930 -1.284 -13.693 1.00 0.00 O ATOM 389 CB CYS A 291 11.990 1.158 -15.078 1.00 0.00 C ATOM 390 SG CYS A 291 11.831 2.167 -13.583 1.00 0.00 S ATOM 0 H CYS A 291 13.361 -1.712 -15.248 1.00 0.00 H new ATOM 0 HA CYS A 291 12.305 -0.481 -13.716 1.00 0.00 H new ATOM 0 HB2 CYS A 291 12.947 1.354 -15.562 1.00 0.00 H new ATOM 0 HB3 CYS A 291 11.211 1.423 -15.793 1.00 0.00 H new ATOM 0 HG CYS A 291 11.925 3.425 -13.897 1.00 0.00 H new ATOM 396 N GLY A 292 9.710 -0.488 -15.785 1.00 0.00 N ATOM 397 CA GLY A 292 8.298 -0.847 -15.870 1.00 0.00 C ATOM 398 C GLY A 292 7.820 -0.882 -17.319 1.00 0.00 C ATOM 399 O GLY A 292 7.997 0.085 -18.058 1.00 0.00 O ATOM 0 H GLY A 292 10.088 -0.041 -16.620 1.00 0.00 H new ATOM 0 HA2 GLY A 292 8.140 -1.822 -15.409 1.00 0.00 H new ATOM 0 HA3 GLY A 292 7.703 -0.128 -15.306 1.00 0.00 H new ATOM 403 N SER A 293 7.203 -1.999 -17.707 1.00 0.00 N ATOM 404 CA SER A 293 6.685 -2.161 -19.069 1.00 0.00 C ATOM 405 C SER A 293 7.522 -1.375 -20.071 1.00 0.00 C ATOM 406 O SER A 293 7.331 -0.171 -20.240 1.00 0.00 O ATOM 407 CB SER A 293 5.237 -1.673 -19.129 1.00 0.00 C ATOM 408 OG SER A 293 4.398 -2.615 -18.474 1.00 0.00 O ATOM 0 H SER A 293 7.049 -2.804 -17.100 1.00 0.00 H new ATOM 0 HA SER A 293 6.735 -3.218 -19.329 1.00 0.00 H new ATOM 0 HB2 SER A 293 5.150 -0.697 -18.652 1.00 0.00 H new ATOM 0 HB3 SER A 293 4.925 -1.550 -20.166 1.00 0.00 H new ATOM 0 HG SER A 293 4.721 -2.762 -17.561 1.00 0.00 H new ATOM 414 N LYS A 294 8.454 -2.056 -20.737 1.00 0.00 N ATOM 415 CA LYS A 294 9.307 -1.384 -21.714 1.00 0.00 C ATOM 416 C LYS A 294 9.522 -2.228 -22.968 1.00 0.00 C ATOM 417 O LYS A 294 8.904 -1.983 -24.004 1.00 0.00 O ATOM 418 CB LYS A 294 10.663 -1.064 -21.083 1.00 0.00 C ATOM 419 CG LYS A 294 11.488 -0.216 -22.053 1.00 0.00 C ATOM 420 CD LYS A 294 12.865 0.064 -21.448 1.00 0.00 C ATOM 421 CE LYS A 294 13.624 1.047 -22.340 1.00 0.00 C ATOM 422 NZ LYS A 294 15.033 1.163 -21.868 1.00 0.00 N ATOM 0 H LYS A 294 8.635 -3.053 -20.621 1.00 0.00 H new ATOM 0 HA LYS A 294 8.800 -0.466 -22.011 1.00 0.00 H new ATOM 0 HB2 LYS A 294 10.522 -0.529 -20.144 1.00 0.00 H new ATOM 0 HB3 LYS A 294 11.194 -1.987 -20.847 1.00 0.00 H new ATOM 0 HG2 LYS A 294 11.597 -0.736 -23.005 1.00 0.00 H new ATOM 0 HG3 LYS A 294 10.973 0.722 -22.260 1.00 0.00 H new ATOM 0 HD2 LYS A 294 12.756 0.476 -20.445 1.00 0.00 H new ATOM 0 HD3 LYS A 294 13.427 -0.865 -21.352 1.00 0.00 H new ATOM 0 HE2 LYS A 294 13.603 0.706 -23.375 1.00 0.00 H new ATOM 0 HE3 LYS A 294 13.140 2.023 -22.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 15.549 1.832 -22.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 15.043 1.508 -20.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 15.492 0.231 -21.912 1.00 0.00 H new ATOM 436 N ASP A 295 10.431 -3.193 -22.881 1.00 0.00 N ATOM 437 CA ASP A 295 10.753 -4.031 -24.033 1.00 0.00 C ATOM 438 C ASP A 295 9.550 -4.815 -24.546 1.00 0.00 C ATOM 439 O ASP A 295 9.258 -4.784 -25.741 1.00 0.00 O ATOM 440 CB ASP A 295 11.877 -5.002 -23.670 1.00 0.00 C ATOM 441 CG ASP A 295 13.182 -4.238 -23.473 1.00 0.00 C ATOM 442 OD1 ASP A 295 13.206 -3.058 -23.779 1.00 0.00 O ATOM 443 OD2 ASP A 295 14.139 -4.845 -23.020 1.00 0.00 O ATOM 0 H ASP A 295 10.954 -3.414 -22.034 1.00 0.00 H new ATOM 0 HA ASP A 295 11.071 -3.363 -24.833 1.00 0.00 H new ATOM 0 HB2 ASP A 295 11.621 -5.543 -22.759 1.00 0.00 H new ATOM 0 HB3 ASP A 295 11.996 -5.745 -24.459 1.00 0.00 H new ATOM 448 N ASN A 296 8.856 -5.516 -23.657 1.00 0.00 N ATOM 449 CA ASN A 296 7.697 -6.301 -24.073 1.00 0.00 C ATOM 450 C ASN A 296 7.027 -6.943 -22.871 1.00 0.00 C ATOM 451 O ASN A 296 5.903 -7.438 -22.968 1.00 0.00 O ATOM 452 CB ASN A 296 8.124 -7.401 -25.051 1.00 0.00 C ATOM 453 CG ASN A 296 6.904 -7.940 -25.792 1.00 0.00 C ATOM 454 OD1 ASN A 296 6.242 -7.199 -26.520 1.00 0.00 O ATOM 455 ND2 ASN A 296 6.567 -9.192 -25.650 1.00 0.00 N ATOM 0 H ASN A 296 9.069 -5.558 -22.660 1.00 0.00 H new ATOM 0 HA ASN A 296 6.993 -5.628 -24.562 1.00 0.00 H new ATOM 0 HB2 ASN A 296 8.847 -7.005 -25.764 1.00 0.00 H new ATOM 0 HB3 ASN A 296 8.618 -8.208 -24.511 1.00 0.00 H new ATOM 0 HD21 ASN A 296 5.753 -9.560 -26.143 1.00 0.00 H new ATOM 0 HD22 ASN A 296 7.117 -9.803 -25.046 1.00 0.00 H new ATOM 462 N ILE A 297 7.716 -6.933 -21.740 1.00 0.00 N ATOM 463 CA ILE A 297 7.159 -7.523 -20.534 1.00 0.00 C ATOM 464 C ILE A 297 5.830 -6.858 -20.212 1.00 0.00 C ATOM 465 O ILE A 297 4.968 -7.455 -19.569 1.00 0.00 O ATOM 466 CB ILE A 297 8.135 -7.361 -19.366 1.00 0.00 C ATOM 467 CG1 ILE A 297 8.413 -5.875 -19.125 1.00 0.00 C ATOM 468 CG2 ILE A 297 9.448 -8.074 -19.696 1.00 0.00 C ATOM 469 CD1 ILE A 297 9.211 -5.710 -17.832 1.00 0.00 C ATOM 0 H ILE A 297 8.647 -6.530 -21.632 1.00 0.00 H new ATOM 0 HA ILE A 297 6.994 -8.588 -20.697 1.00 0.00 H new ATOM 0 HB ILE A 297 7.696 -7.797 -18.469 1.00 0.00 H new ATOM 0 HG12 ILE A 297 8.969 -5.457 -19.964 1.00 0.00 H new ATOM 0 HG13 ILE A 297 7.475 -5.324 -19.059 1.00 0.00 H new ATOM 0 HG21 ILE A 297 10.143 -7.959 -18.865 1.00 0.00 H new ATOM 0 HG22 ILE A 297 9.255 -9.134 -19.863 1.00 0.00 H new ATOM 0 HG23 ILE A 297 9.883 -7.638 -20.596 1.00 0.00 H new ATOM 0 HD11 ILE A 297 9.410 -4.652 -17.659 1.00 0.00 H new ATOM 0 HD12 ILE A 297 8.638 -6.113 -16.997 1.00 0.00 H new ATOM 0 HD13 ILE A 297 10.156 -6.247 -17.916 1.00 0.00 H new ATOM 481 N LYS A 298 5.674 -5.623 -20.694 1.00 0.00 N ATOM 482 CA LYS A 298 4.445 -4.858 -20.485 1.00 0.00 C ATOM 483 C LYS A 298 3.723 -5.279 -19.206 1.00 0.00 C ATOM 484 O LYS A 298 2.495 -5.245 -19.138 1.00 0.00 O ATOM 485 CB LYS A 298 3.512 -5.027 -21.687 1.00 0.00 C ATOM 486 CG LYS A 298 3.031 -6.477 -21.771 1.00 0.00 C ATOM 487 CD LYS A 298 2.182 -6.659 -23.031 1.00 0.00 C ATOM 488 CE LYS A 298 1.448 -7.998 -22.961 1.00 0.00 C ATOM 489 NZ LYS A 298 0.774 -8.264 -24.263 1.00 0.00 N ATOM 0 H LYS A 298 6.386 -5.131 -21.233 1.00 0.00 H new ATOM 0 HA LYS A 298 4.724 -3.809 -20.380 1.00 0.00 H new ATOM 0 HB2 LYS A 298 2.658 -4.356 -21.593 1.00 0.00 H new ATOM 0 HB3 LYS A 298 4.033 -4.753 -22.605 1.00 0.00 H new ATOM 0 HG2 LYS A 298 3.885 -7.154 -21.794 1.00 0.00 H new ATOM 0 HG3 LYS A 298 2.447 -6.730 -20.886 1.00 0.00 H new ATOM 0 HD2 LYS A 298 1.465 -5.843 -23.120 1.00 0.00 H new ATOM 0 HD3 LYS A 298 2.815 -6.625 -23.917 1.00 0.00 H new ATOM 0 HE2 LYS A 298 2.151 -8.799 -22.733 1.00 0.00 H new ATOM 0 HE3 LYS A 298 0.713 -7.980 -22.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 0.275 -9.175 -24.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 0.092 -7.505 -24.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 1.485 -8.298 -25.021 1.00 0.00 H new ATOM 503 N HIS A 299 4.492 -5.668 -18.194 1.00 0.00 N ATOM 504 CA HIS A 299 3.910 -6.083 -16.924 1.00 0.00 C ATOM 505 C HIS A 299 3.270 -4.886 -16.222 1.00 0.00 C ATOM 506 O HIS A 299 3.441 -3.749 -16.652 1.00 0.00 O ATOM 507 CB HIS A 299 4.981 -6.727 -16.037 1.00 0.00 C ATOM 508 CG HIS A 299 6.118 -5.775 -15.793 1.00 0.00 C ATOM 509 ND1 HIS A 299 6.905 -5.864 -14.657 1.00 0.00 N ATOM 510 CD2 HIS A 299 6.611 -4.710 -16.504 1.00 0.00 C ATOM 511 CE1 HIS A 299 7.816 -4.881 -14.715 1.00 0.00 C ATOM 512 NE2 HIS A 299 7.685 -4.149 -15.823 1.00 0.00 N ATOM 0 H HIS A 299 5.511 -5.704 -18.228 1.00 0.00 H new ATOM 0 HA HIS A 299 3.133 -6.824 -17.115 1.00 0.00 H new ATOM 0 HB2 HIS A 299 4.540 -7.025 -15.086 1.00 0.00 H new ATOM 0 HB3 HIS A 299 5.356 -7.633 -16.512 1.00 0.00 H new ATOM 0 HD1 HIS A 299 6.809 -6.553 -13.911 1.00 0.00 H new ATOM 0 HD2 HIS A 299 6.223 -4.361 -17.450 1.00 0.00 H new ATOM 0 HE1 HIS A 299 8.565 -4.704 -13.957 1.00 0.00 H new ATOM 521 N VAL A 300 2.505 -5.151 -15.163 1.00 0.00 N ATOM 522 CA VAL A 300 1.814 -4.082 -14.435 1.00 0.00 C ATOM 523 C VAL A 300 2.716 -3.329 -13.449 1.00 0.00 C ATOM 524 O VAL A 300 2.771 -2.099 -13.474 1.00 0.00 O ATOM 525 CB VAL A 300 0.630 -4.663 -13.662 1.00 0.00 C ATOM 526 CG1 VAL A 300 -0.025 -3.563 -12.819 1.00 0.00 C ATOM 527 CG2 VAL A 300 -0.393 -5.243 -14.641 1.00 0.00 C ATOM 0 H VAL A 300 2.348 -6.088 -14.791 1.00 0.00 H new ATOM 0 HA VAL A 300 1.485 -3.367 -15.189 1.00 0.00 H new ATOM 0 HB VAL A 300 0.985 -5.457 -13.004 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -0.869 -3.980 -12.269 1.00 0.00 H new ATOM 0 HG12 VAL A 300 0.704 -3.161 -12.115 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -0.377 -2.765 -13.472 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -1.235 -5.656 -14.085 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -0.748 -4.455 -15.305 1.00 0.00 H new ATOM 0 HG23 VAL A 300 0.074 -6.032 -15.231 1.00 0.00 H new ATOM 537 N PRO A 301 3.386 -4.025 -12.563 1.00 0.00 N ATOM 538 CA PRO A 301 4.242 -3.367 -11.544 1.00 0.00 C ATOM 539 C PRO A 301 5.197 -2.349 -12.161 1.00 0.00 C ATOM 540 O PRO A 301 5.732 -2.562 -13.249 1.00 0.00 O ATOM 541 CB PRO A 301 4.989 -4.548 -10.940 1.00 0.00 C ATOM 542 CG PRO A 301 5.201 -5.482 -12.085 1.00 0.00 C ATOM 543 CD PRO A 301 4.093 -5.195 -13.108 1.00 0.00 C ATOM 0 HA PRO A 301 3.675 -2.787 -10.815 1.00 0.00 H new ATOM 0 HB2 PRO A 301 5.937 -4.236 -10.502 1.00 0.00 H new ATOM 0 HB3 PRO A 301 4.410 -5.019 -10.145 1.00 0.00 H new ATOM 0 HG2 PRO A 301 6.185 -5.331 -12.529 1.00 0.00 H new ATOM 0 HG3 PRO A 301 5.158 -6.519 -11.750 1.00 0.00 H new ATOM 0 HD2 PRO A 301 4.507 -4.985 -14.094 1.00 0.00 H new ATOM 0 HD3 PRO A 301 3.423 -6.048 -13.218 1.00 0.00 H new ATOM 551 N GLY A 302 5.400 -1.239 -11.457 1.00 0.00 N ATOM 552 CA GLY A 302 6.284 -0.186 -11.945 1.00 0.00 C ATOM 553 C GLY A 302 5.501 0.861 -12.730 1.00 0.00 C ATOM 554 O GLY A 302 6.084 1.691 -13.428 1.00 0.00 O ATOM 0 H GLY A 302 4.968 -1.046 -10.553 1.00 0.00 H new ATOM 0 HA2 GLY A 302 6.791 0.288 -11.104 1.00 0.00 H new ATOM 0 HA3 GLY A 302 7.057 -0.619 -12.580 1.00 0.00 H new ATOM 558 N GLY A 303 4.176 0.814 -12.616 1.00 0.00 N ATOM 559 CA GLY A 303 3.323 1.763 -13.325 1.00 0.00 C ATOM 560 C GLY A 303 3.060 1.291 -14.750 1.00 0.00 C ATOM 561 O GLY A 303 2.714 2.083 -15.625 1.00 0.00 O ATOM 0 H GLY A 303 3.673 0.135 -12.044 1.00 0.00 H new ATOM 0 HA2 GLY A 303 2.378 1.877 -12.794 1.00 0.00 H new ATOM 0 HA3 GLY A 303 3.799 2.744 -13.343 1.00 0.00 H new ATOM 565 N GLY A 304 3.235 -0.007 -14.971 1.00 0.00 N ATOM 566 CA GLY A 304 3.027 -0.589 -16.290 1.00 0.00 C ATOM 567 C GLY A 304 1.547 -0.862 -16.554 1.00 0.00 C ATOM 568 O GLY A 304 0.672 -0.268 -15.925 1.00 0.00 O ATOM 0 H GLY A 304 3.520 -0.675 -14.254 1.00 0.00 H new ATOM 0 HA2 GLY A 304 3.415 0.086 -17.052 1.00 0.00 H new ATOM 0 HA3 GLY A 304 3.590 -1.519 -16.372 1.00 0.00 H new ATOM 572 N SER A 305 1.282 -1.762 -17.499 1.00 0.00 N ATOM 573 CA SER A 305 -0.089 -2.116 -17.861 1.00 0.00 C ATOM 574 C SER A 305 -0.916 -2.449 -16.622 1.00 0.00 C ATOM 575 O SER A 305 -0.483 -2.218 -15.495 1.00 0.00 O ATOM 576 CB SER A 305 -0.081 -3.314 -18.809 1.00 0.00 C ATOM 577 OG SER A 305 -1.414 -3.767 -19.004 1.00 0.00 O ATOM 0 H SER A 305 1.999 -2.259 -18.028 1.00 0.00 H new ATOM 0 HA SER A 305 -0.542 -1.258 -18.357 1.00 0.00 H new ATOM 0 HB2 SER A 305 0.364 -3.034 -19.764 1.00 0.00 H new ATOM 0 HB3 SER A 305 0.531 -4.116 -18.396 1.00 0.00 H new ATOM 0 HG SER A 305 -1.433 -4.425 -19.730 1.00 0.00 H new ATOM 583 N VAL A 306 -2.117 -2.982 -16.839 1.00 0.00 N ATOM 584 CA VAL A 306 -3.009 -3.338 -15.734 1.00 0.00 C ATOM 585 C VAL A 306 -3.326 -4.833 -15.739 1.00 0.00 C ATOM 586 O VAL A 306 -4.357 -5.256 -15.215 1.00 0.00 O ATOM 587 CB VAL A 306 -4.312 -2.543 -15.841 1.00 0.00 C ATOM 588 CG1 VAL A 306 -3.997 -1.048 -15.907 1.00 0.00 C ATOM 589 CG2 VAL A 306 -5.060 -2.962 -17.109 1.00 0.00 C ATOM 0 H VAL A 306 -2.495 -3.177 -17.766 1.00 0.00 H new ATOM 0 HA VAL A 306 -2.502 -3.095 -14.800 1.00 0.00 H new ATOM 0 HB VAL A 306 -4.932 -2.744 -14.967 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -4.926 -0.483 -15.983 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -3.463 -0.748 -15.005 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -3.377 -0.845 -16.780 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -5.989 -2.397 -17.187 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -4.438 -2.761 -17.981 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -5.286 -4.027 -17.063 1.00 0.00 H new ATOM 599 N GLN A 307 -2.445 -5.626 -16.338 1.00 0.00 N ATOM 600 CA GLN A 307 -2.660 -7.070 -16.408 1.00 0.00 C ATOM 601 C GLN A 307 -2.157 -7.782 -15.147 1.00 0.00 C ATOM 602 O GLN A 307 -2.806 -7.746 -14.101 1.00 0.00 O ATOM 603 CB GLN A 307 -1.967 -7.650 -17.648 1.00 0.00 C ATOM 604 CG GLN A 307 -0.680 -6.877 -17.931 1.00 0.00 C ATOM 605 CD GLN A 307 0.075 -7.527 -19.083 1.00 0.00 C ATOM 606 OE1 GLN A 307 1.375 -7.617 -19.026 1.00 0.00 O flip ATOM 607 NE2 GLN A 307 -0.533 -7.962 -20.061 1.00 0.00 N flip ATOM 0 H GLN A 307 -1.584 -5.301 -16.778 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.734 -7.239 -16.480 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -1.741 -8.705 -17.490 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -2.633 -7.592 -18.509 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -0.915 -5.841 -18.177 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -0.054 -6.858 -17.039 1.00 0.00 H new ATOM 0 HE21 GLN A 307 -1.550 -7.890 -20.103 1.00 0.00 H new ATOM 0 HE22 GLN A 307 -0.020 -8.394 -20.830 1.00 0.00 H new ATOM 616 N ILE A 308 -1.015 -8.457 -15.267 1.00 0.00 N ATOM 617 CA ILE A 308 -0.445 -9.213 -14.147 1.00 0.00 C ATOM 618 C ILE A 308 0.509 -8.364 -13.297 1.00 0.00 C ATOM 619 O ILE A 308 1.338 -7.622 -13.817 1.00 0.00 O ATOM 620 CB ILE A 308 0.272 -10.466 -14.692 1.00 0.00 C ATOM 621 CG1 ILE A 308 1.788 -10.233 -14.872 1.00 0.00 C ATOM 622 CG2 ILE A 308 -0.333 -10.847 -16.044 1.00 0.00 C ATOM 623 CD1 ILE A 308 2.062 -9.042 -15.800 1.00 0.00 C ATOM 0 H ILE A 308 -0.465 -8.498 -16.125 1.00 0.00 H new ATOM 0 HA ILE A 308 -1.261 -9.513 -13.489 1.00 0.00 H new ATOM 0 HB ILE A 308 0.136 -11.267 -13.965 1.00 0.00 H new ATOM 0 HG12 ILE A 308 2.248 -10.053 -13.901 1.00 0.00 H new ATOM 0 HG13 ILE A 308 2.250 -11.131 -15.283 1.00 0.00 H new ATOM 0 HG21 ILE A 308 0.171 -11.732 -16.432 1.00 0.00 H new ATOM 0 HG22 ILE A 308 -1.395 -11.059 -15.921 1.00 0.00 H new ATOM 0 HG23 ILE A 308 -0.207 -10.021 -16.745 1.00 0.00 H new ATOM 0 HD11 ILE A 308 3.138 -8.904 -15.907 1.00 0.00 H new ATOM 0 HD12 ILE A 308 1.622 -9.235 -16.779 1.00 0.00 H new ATOM 0 HD13 ILE A 308 1.621 -8.140 -15.375 1.00 0.00 H new ATOM 635 N VAL A 309 0.380 -8.495 -11.977 1.00 0.00 N ATOM 636 CA VAL A 309 1.226 -7.751 -11.048 1.00 0.00 C ATOM 637 C VAL A 309 2.247 -8.661 -10.369 1.00 0.00 C ATOM 638 O VAL A 309 3.102 -8.182 -9.624 1.00 0.00 O ATOM 639 CB VAL A 309 0.358 -7.079 -9.983 1.00 0.00 C ATOM 640 CG1 VAL A 309 -0.329 -8.150 -9.134 1.00 0.00 C ATOM 641 CG2 VAL A 309 1.238 -6.206 -9.086 1.00 0.00 C ATOM 0 H VAL A 309 -0.301 -9.108 -11.529 1.00 0.00 H new ATOM 0 HA VAL A 309 1.767 -6.997 -11.619 1.00 0.00 H new ATOM 0 HB VAL A 309 -0.397 -6.460 -10.467 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -0.948 -7.671 -8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -0.955 -8.774 -9.772 1.00 0.00 H new ATOM 0 HG13 VAL A 309 0.426 -8.769 -8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 309 0.621 -5.726 -8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 309 1.992 -6.826 -8.602 1.00 0.00 H new ATOM 0 HG23 VAL A 309 1.729 -5.443 -9.690 1.00 0.00 H new ATOM 651 N TYR A 310 2.159 -9.969 -10.606 1.00 0.00 N ATOM 652 CA TYR A 310 3.099 -10.889 -9.971 1.00 0.00 C ATOM 653 C TYR A 310 4.535 -10.568 -10.376 1.00 0.00 C ATOM 654 O TYR A 310 5.485 -11.067 -9.773 1.00 0.00 O ATOM 655 CB TYR A 310 2.749 -12.354 -10.272 1.00 0.00 C ATOM 656 CG TYR A 310 2.896 -12.670 -11.742 1.00 0.00 C ATOM 657 CD1 TYR A 310 4.167 -12.818 -12.309 1.00 0.00 C ATOM 658 CD2 TYR A 310 1.753 -12.853 -12.530 1.00 0.00 C ATOM 659 CE1 TYR A 310 4.294 -13.145 -13.665 1.00 0.00 C ATOM 660 CE2 TYR A 310 1.881 -13.177 -13.885 1.00 0.00 C ATOM 661 CZ TYR A 310 3.151 -13.324 -14.452 1.00 0.00 C ATOM 662 OH TYR A 310 3.277 -13.646 -15.789 1.00 0.00 O ATOM 0 H TYR A 310 1.467 -10.406 -11.215 1.00 0.00 H new ATOM 0 HA TYR A 310 3.015 -10.752 -8.893 1.00 0.00 H new ATOM 0 HB2 TYR A 310 3.397 -13.010 -9.692 1.00 0.00 H new ATOM 0 HB3 TYR A 310 1.726 -12.556 -9.956 1.00 0.00 H new ATOM 0 HD1 TYR A 310 5.049 -12.680 -11.701 1.00 0.00 H new ATOM 0 HD2 TYR A 310 0.772 -12.744 -12.092 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.274 -13.259 -14.103 1.00 0.00 H new ATOM 0 HE2 TYR A 310 0.999 -13.314 -14.493 1.00 0.00 H new ATOM 0 HH TYR A 310 2.387 -13.736 -16.189 1.00 0.00 H new ATOM 672 N LYS A 311 4.687 -9.703 -11.372 1.00 0.00 N ATOM 673 CA LYS A 311 6.013 -9.285 -11.820 1.00 0.00 C ATOM 674 C LYS A 311 6.789 -10.426 -12.476 1.00 0.00 C ATOM 675 O LYS A 311 7.321 -11.301 -11.792 1.00 0.00 O ATOM 676 CB LYS A 311 6.812 -8.760 -10.626 1.00 0.00 C ATOM 677 CG LYS A 311 7.925 -7.836 -11.124 1.00 0.00 C ATOM 678 CD LYS A 311 8.821 -7.437 -9.949 1.00 0.00 C ATOM 679 CE LYS A 311 9.955 -6.542 -10.453 1.00 0.00 C ATOM 680 NZ LYS A 311 10.845 -6.181 -9.314 1.00 0.00 N ATOM 0 H LYS A 311 3.913 -9.278 -11.884 1.00 0.00 H new ATOM 0 HA LYS A 311 5.874 -8.503 -12.566 1.00 0.00 H new ATOM 0 HB2 LYS A 311 6.155 -8.221 -9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 311 7.239 -9.592 -10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 311 8.515 -8.339 -11.890 1.00 0.00 H new ATOM 0 HG3 LYS A 311 7.495 -6.947 -11.586 1.00 0.00 H new ATOM 0 HD2 LYS A 311 8.236 -6.911 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 311 9.231 -8.327 -9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 311 10.525 -7.059 -11.225 1.00 0.00 H new ATOM 0 HE3 LYS A 311 9.546 -5.640 -10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 11.616 -5.573 -9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 10.296 -5.672 -8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 11.245 -7.046 -8.898 1.00 0.00 H new ATOM 694 N PRO A 312 6.887 -10.409 -13.782 1.00 0.00 N ATOM 695 CA PRO A 312 7.650 -11.447 -14.531 1.00 0.00 C ATOM 696 C PRO A 312 9.159 -11.262 -14.397 1.00 0.00 C ATOM 697 O PRO A 312 9.845 -11.405 -15.395 1.00 0.00 O ATOM 698 CB PRO A 312 7.197 -11.229 -15.969 1.00 0.00 C ATOM 699 CG PRO A 312 5.781 -10.777 -15.856 1.00 0.00 C ATOM 700 CD PRO A 312 5.668 -10.022 -14.528 1.00 0.00 C ATOM 701 OXT PRO A 312 9.606 -10.979 -13.297 1.00 0.00 O ATOM 0 HA PRO A 312 7.462 -12.455 -14.160 1.00 0.00 H new ATOM 0 HB2 PRO A 312 7.813 -10.481 -16.469 1.00 0.00 H new ATOM 0 HB3 PRO A 312 7.274 -12.147 -16.552 1.00 0.00 H new ATOM 0 HG2 PRO A 312 5.512 -10.132 -16.693 1.00 0.00 H new ATOM 0 HG3 PRO A 312 5.100 -11.628 -15.877 1.00 0.00 H new ATOM 0 HD2 PRO A 312 5.624 -8.944 -14.686 1.00 0.00 H new ATOM 0 HD3 PRO A 312 4.765 -10.303 -13.987 1.00 0.00 H new TER 709 PRO A 312