USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=17 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 268 HIS :FLIP no HD1:sc= -2.5 F(o=-5.1!,f=-3.2) USER MOD Set 1.2: A 280 LYS NZ :NH3+ -168:sc= -0.65 (180deg=-0.944) USER MOD Set 1.3: A 285 SER OG : rot 105:sc= -0.0257! USER MOD Single : A 267 LYS NZ :NH3+ 160:sc= -0.336 (180deg=-1.3!) USER MOD Single : A 269 GLN :FLIP amide:sc= -0.48 F(o=-1.6,f=-0.48) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 279 ASN : amide:sc= -0.0495 X(o=-0.05,f=-0.05) USER MOD Single : A 281 LYS NZ :NH3+ -165:sc= 0.74 (180deg=-0.356!) USER MOD Single : A 286 ASN :FLIP amide:sc= -0.398 F(o=-2.2!,f=-0.4) USER MOD Single : A 288 GLN :FLIP amide:sc= -4.33! C(o=-4.9!,f=-4.3!) USER MOD Single : A 289 SER OG : rot 180:sc= 0 USER MOD Single : A 290 LYS NZ :NH3+ -170:sc= -0.219 (180deg=-0.827!) USER MOD Single : A 291 CYS SG : rot 180:sc= -0.0861 USER MOD Single : A 293 SER OG : rot 60:sc= 0.379 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 ASN : amide:sc= -3.08! C(o=-3.1!,f=-8.1!) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 299 HIS :FLIP no HD1:sc= -3.59 F(o=-4.7,f=-3.6) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 307 GLN :FLIP amide:sc= -1.95! C(o=-2.7!,f=-1.9!) USER MOD Single : A 310 TYR OH : rot 156:sc= -0.658 USER MOD Single : A 311 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00967) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 27.397 -2.420 -21.584 1.00 0.00 N ATOM 2 CA LYS A 267 26.457 -2.905 -20.578 1.00 0.00 C ATOM 3 C LYS A 267 25.402 -3.803 -21.215 1.00 0.00 C ATOM 4 O LYS A 267 25.120 -4.894 -20.720 1.00 0.00 O ATOM 5 CB LYS A 267 25.766 -1.724 -19.894 1.00 0.00 C ATOM 6 CG LYS A 267 26.795 -0.909 -19.108 1.00 0.00 C ATOM 7 CD LYS A 267 26.081 0.195 -18.327 1.00 0.00 C ATOM 8 CE LYS A 267 27.115 1.064 -17.609 1.00 0.00 C ATOM 9 NZ LYS A 267 28.218 1.402 -18.552 1.00 0.00 N ATOM 0 HA LYS A 267 27.016 -3.481 -19.840 1.00 0.00 H new ATOM 0 HB2 LYS A 267 25.280 -1.093 -20.639 1.00 0.00 H new ATOM 0 HB3 LYS A 267 24.985 -2.085 -19.224 1.00 0.00 H new ATOM 0 HG2 LYS A 267 27.343 -1.557 -18.424 1.00 0.00 H new ATOM 0 HG3 LYS A 267 27.526 -0.473 -19.789 1.00 0.00 H new ATOM 0 HD2 LYS A 267 25.484 0.806 -19.004 1.00 0.00 H new ATOM 0 HD3 LYS A 267 25.394 -0.243 -17.604 1.00 0.00 H new ATOM 0 HE2 LYS A 267 26.646 1.976 -17.239 1.00 0.00 H new ATOM 0 HE3 LYS A 267 27.512 0.535 -16.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 28.729 2.238 -18.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 28.874 0.598 -18.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 27.821 1.606 -19.491 1.00 0.00 H new ATOM 23 N HIS A 268 24.818 -3.332 -22.312 1.00 0.00 N ATOM 24 CA HIS A 268 23.790 -4.095 -23.012 1.00 0.00 C ATOM 25 C HIS A 268 24.337 -5.466 -23.415 1.00 0.00 C ATOM 26 O HIS A 268 25.197 -6.020 -22.731 1.00 0.00 O ATOM 27 CB HIS A 268 23.310 -3.313 -24.253 1.00 0.00 C ATOM 28 CG HIS A 268 23.809 -1.895 -24.177 1.00 0.00 C ATOM 29 ND1 HIS A 268 25.029 -1.339 -24.474 1.00 0.00 N flip ATOM 30 CD2 HIS A 268 23.013 -0.850 -23.736 1.00 0.00 C flip ATOM 31 CE1 HIS A 268 24.993 0.029 -24.220 1.00 0.00 C flip ATOM 32 NE2 HIS A 268 23.756 0.270 -23.777 1.00 0.00 N flip ATOM 0 H HIS A 268 25.037 -2.430 -22.734 1.00 0.00 H new ATOM 0 HA HIS A 268 22.940 -4.246 -22.347 1.00 0.00 H new ATOM 0 HB2 HIS A 268 23.677 -3.791 -25.161 1.00 0.00 H new ATOM 0 HB3 HIS A 268 22.221 -3.324 -24.304 1.00 0.00 H new ATOM 0 HD2 HIS A 268 21.984 -0.922 -23.417 1.00 0.00 H new ATOM 0 HE1 HIS A 268 25.793 0.742 -24.353 1.00 0.00 H new ATOM 0 HE2 HIS A 268 23.416 1.192 -23.503 1.00 0.00 H new ATOM 41 N GLN A 269 23.840 -6.012 -24.520 1.00 0.00 N ATOM 42 CA GLN A 269 24.302 -7.317 -24.978 1.00 0.00 C ATOM 43 C GLN A 269 25.822 -7.428 -24.816 1.00 0.00 C ATOM 44 O GLN A 269 26.334 -8.472 -24.412 1.00 0.00 O ATOM 45 CB GLN A 269 23.900 -7.540 -26.449 1.00 0.00 C ATOM 46 CG GLN A 269 22.628 -8.394 -26.522 1.00 0.00 C ATOM 47 CD GLN A 269 21.913 -8.152 -27.846 1.00 0.00 C ATOM 48 OE1 GLN A 269 21.016 -7.208 -27.928 1.00 0.00 O flip ATOM 49 NE2 GLN A 269 22.177 -8.842 -28.830 1.00 0.00 N flip ATOM 0 H GLN A 269 23.128 -5.579 -25.108 1.00 0.00 H new ATOM 0 HA GLN A 269 23.831 -8.089 -24.369 1.00 0.00 H new ATOM 0 HB2 GLN A 269 23.732 -6.580 -26.938 1.00 0.00 H new ATOM 0 HB3 GLN A 269 24.711 -8.034 -26.985 1.00 0.00 H new ATOM 0 HG2 GLN A 269 22.883 -9.449 -26.424 1.00 0.00 H new ATOM 0 HG3 GLN A 269 21.966 -8.147 -25.692 1.00 0.00 H new ATOM 0 HE21 GLN A 269 22.879 -9.579 -28.763 1.00 0.00 H new ATOM 0 HE22 GLN A 269 21.694 -8.677 -29.713 1.00 0.00 H new ATOM 58 N PRO A 270 26.546 -6.372 -25.099 1.00 0.00 N ATOM 59 CA PRO A 270 28.031 -6.376 -24.948 1.00 0.00 C ATOM 60 C PRO A 270 28.455 -6.073 -23.511 1.00 0.00 C ATOM 61 O PRO A 270 28.619 -4.913 -23.133 1.00 0.00 O ATOM 62 CB PRO A 270 28.524 -5.283 -25.921 1.00 0.00 C ATOM 63 CG PRO A 270 27.296 -4.615 -26.453 1.00 0.00 C ATOM 64 CD PRO A 270 26.158 -5.613 -26.290 1.00 0.00 C ATOM 0 HA PRO A 270 28.459 -7.353 -25.172 1.00 0.00 H new ATOM 0 HB2 PRO A 270 29.166 -4.567 -25.409 1.00 0.00 H new ATOM 0 HB3 PRO A 270 29.112 -5.718 -26.729 1.00 0.00 H new ATOM 0 HG2 PRO A 270 27.087 -3.695 -25.907 1.00 0.00 H new ATOM 0 HG3 PRO A 270 27.426 -4.342 -27.500 1.00 0.00 H new ATOM 0 HD2 PRO A 270 25.200 -5.112 -26.154 1.00 0.00 H new ATOM 0 HD3 PRO A 270 26.059 -6.257 -27.164 1.00 0.00 H new ATOM 72 N GLY A 271 28.628 -7.125 -22.718 1.00 0.00 N ATOM 73 CA GLY A 271 29.031 -6.964 -21.324 1.00 0.00 C ATOM 74 C GLY A 271 30.531 -6.717 -21.218 1.00 0.00 C ATOM 75 O GLY A 271 31.164 -7.094 -20.231 1.00 0.00 O ATOM 0 H GLY A 271 28.497 -8.093 -23.013 1.00 0.00 H new ATOM 0 HA2 GLY A 271 28.488 -6.130 -20.878 1.00 0.00 H new ATOM 0 HA3 GLY A 271 28.764 -7.857 -20.758 1.00 0.00 H new ATOM 79 N GLY A 272 31.096 -6.086 -22.243 1.00 0.00 N ATOM 80 CA GLY A 272 32.525 -5.797 -22.256 1.00 0.00 C ATOM 81 C GLY A 272 33.281 -6.868 -23.033 1.00 0.00 C ATOM 82 O GLY A 272 34.509 -6.841 -23.116 1.00 0.00 O ATOM 0 H GLY A 272 30.590 -5.767 -23.069 1.00 0.00 H new ATOM 0 HA2 GLY A 272 32.700 -4.821 -22.708 1.00 0.00 H new ATOM 0 HA3 GLY A 272 32.901 -5.748 -21.234 1.00 0.00 H new ATOM 86 N GLY A 273 32.537 -7.810 -23.603 1.00 0.00 N ATOM 87 CA GLY A 273 33.140 -8.888 -24.376 1.00 0.00 C ATOM 88 C GLY A 273 33.415 -8.439 -25.806 1.00 0.00 C ATOM 89 O GLY A 273 33.287 -7.259 -26.130 1.00 0.00 O ATOM 0 H GLY A 273 31.519 -7.848 -23.544 1.00 0.00 H new ATOM 0 HA2 GLY A 273 34.070 -9.204 -23.904 1.00 0.00 H new ATOM 0 HA3 GLY A 273 32.476 -9.752 -24.383 1.00 0.00 H new ATOM 93 N LYS A 274 33.794 -9.384 -26.657 1.00 0.00 N ATOM 94 CA LYS A 274 34.085 -9.069 -28.050 1.00 0.00 C ATOM 95 C LYS A 274 32.895 -8.370 -28.702 1.00 0.00 C ATOM 96 O LYS A 274 33.066 -7.536 -29.590 1.00 0.00 O ATOM 97 CB LYS A 274 34.419 -10.351 -28.815 1.00 0.00 C ATOM 98 CG LYS A 274 35.706 -10.954 -28.251 1.00 0.00 C ATOM 99 CD LYS A 274 36.116 -12.168 -29.088 1.00 0.00 C ATOM 100 CE LYS A 274 37.338 -12.838 -28.453 1.00 0.00 C ATOM 101 NZ LYS A 274 38.106 -13.566 -29.502 1.00 0.00 N ATOM 0 H LYS A 274 33.906 -10.367 -26.410 1.00 0.00 H new ATOM 0 HA LYS A 274 34.943 -8.397 -28.082 1.00 0.00 H new ATOM 0 HB2 LYS A 274 33.600 -11.065 -28.727 1.00 0.00 H new ATOM 0 HB3 LYS A 274 34.540 -10.134 -29.876 1.00 0.00 H new ATOM 0 HG2 LYS A 274 36.502 -10.209 -28.259 1.00 0.00 H new ATOM 0 HG3 LYS A 274 35.556 -11.250 -27.213 1.00 0.00 H new ATOM 0 HD2 LYS A 274 35.290 -12.877 -29.149 1.00 0.00 H new ATOM 0 HD3 LYS A 274 36.346 -11.859 -30.108 1.00 0.00 H new ATOM 0 HE2 LYS A 274 37.971 -12.089 -27.978 1.00 0.00 H new ATOM 0 HE3 LYS A 274 37.022 -13.530 -27.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 38.936 -14.021 -29.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 37.500 -14.291 -29.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 38.419 -12.895 -30.232 1.00 0.00 H new ATOM 115 N VAL A 275 31.691 -8.708 -28.249 1.00 0.00 N ATOM 116 CA VAL A 275 30.483 -8.098 -28.789 1.00 0.00 C ATOM 117 C VAL A 275 30.541 -6.582 -28.619 1.00 0.00 C ATOM 118 O VAL A 275 29.743 -5.849 -29.203 1.00 0.00 O ATOM 119 CB VAL A 275 29.249 -8.656 -28.080 1.00 0.00 C ATOM 120 CG1 VAL A 275 27.992 -7.980 -28.629 1.00 0.00 C ATOM 121 CG2 VAL A 275 29.162 -10.165 -28.323 1.00 0.00 C ATOM 0 H VAL A 275 31.528 -9.396 -27.514 1.00 0.00 H new ATOM 0 HA VAL A 275 30.416 -8.333 -29.851 1.00 0.00 H new ATOM 0 HB VAL A 275 29.327 -8.461 -27.010 1.00 0.00 H new ATOM 0 HG11 VAL A 275 27.113 -8.379 -28.122 1.00 0.00 H new ATOM 0 HG12 VAL A 275 28.053 -6.905 -28.458 1.00 0.00 H new ATOM 0 HG13 VAL A 275 27.913 -8.173 -29.699 1.00 0.00 H new ATOM 0 HG21 VAL A 275 28.283 -10.565 -27.818 1.00 0.00 H new ATOM 0 HG22 VAL A 275 29.085 -10.357 -29.393 1.00 0.00 H new ATOM 0 HG23 VAL A 275 30.057 -10.649 -27.931 1.00 0.00 H new ATOM 131 N GLN A 276 31.495 -6.126 -27.807 1.00 0.00 N ATOM 132 CA GLN A 276 31.671 -4.697 -27.546 1.00 0.00 C ATOM 133 C GLN A 276 31.579 -3.876 -28.832 1.00 0.00 C ATOM 134 O GLN A 276 31.547 -2.648 -28.788 1.00 0.00 O ATOM 135 CB GLN A 276 33.024 -4.455 -26.876 1.00 0.00 C ATOM 136 CG GLN A 276 34.145 -4.968 -27.783 1.00 0.00 C ATOM 137 CD GLN A 276 35.485 -4.865 -27.062 1.00 0.00 C ATOM 138 OE1 GLN A 276 35.716 -5.565 -26.074 1.00 0.00 O ATOM 139 NE2 GLN A 276 36.391 -4.036 -27.501 1.00 0.00 N ATOM 0 H GLN A 276 32.159 -6.726 -27.318 1.00 0.00 H new ATOM 0 HA GLN A 276 30.868 -4.376 -26.883 1.00 0.00 H new ATOM 0 HB2 GLN A 276 33.159 -3.391 -26.680 1.00 0.00 H new ATOM 0 HB3 GLN A 276 33.060 -4.964 -25.913 1.00 0.00 H new ATOM 0 HG2 GLN A 276 33.952 -6.003 -28.064 1.00 0.00 H new ATOM 0 HG3 GLN A 276 34.173 -4.387 -28.705 1.00 0.00 H new ATOM 0 HE21 GLN A 276 36.199 -3.457 -28.319 1.00 0.00 H new ATOM 0 HE22 GLN A 276 37.291 -3.967 -27.027 1.00 0.00 H new ATOM 148 N ILE A 277 31.527 -4.560 -29.972 1.00 0.00 N ATOM 149 CA ILE A 277 31.427 -3.887 -31.264 1.00 0.00 C ATOM 150 C ILE A 277 30.329 -2.819 -31.252 1.00 0.00 C ATOM 151 O ILE A 277 30.137 -2.108 -32.237 1.00 0.00 O ATOM 152 CB ILE A 277 31.117 -4.912 -32.357 1.00 0.00 C ATOM 153 CG1 ILE A 277 32.179 -6.018 -32.358 1.00 0.00 C ATOM 154 CG2 ILE A 277 31.105 -4.217 -33.717 1.00 0.00 C ATOM 155 CD1 ILE A 277 33.578 -5.402 -32.445 1.00 0.00 C ATOM 0 H ILE A 277 31.552 -5.578 -30.027 1.00 0.00 H new ATOM 0 HA ILE A 277 32.382 -3.401 -31.464 1.00 0.00 H new ATOM 0 HB ILE A 277 30.141 -5.356 -32.163 1.00 0.00 H new ATOM 0 HG12 ILE A 277 32.092 -6.617 -31.452 1.00 0.00 H new ATOM 0 HG13 ILE A 277 32.015 -6.690 -33.201 1.00 0.00 H new ATOM 0 HG21 ILE A 277 30.884 -4.946 -34.496 1.00 0.00 H new ATOM 0 HG22 ILE A 277 30.342 -3.439 -33.721 1.00 0.00 H new ATOM 0 HG23 ILE A 277 32.081 -3.769 -33.905 1.00 0.00 H new ATOM 0 HD11 ILE A 277 34.325 -6.195 -32.445 1.00 0.00 H new ATOM 0 HD12 ILE A 277 33.664 -4.822 -33.364 1.00 0.00 H new ATOM 0 HD13 ILE A 277 33.742 -4.749 -31.588 1.00 0.00 H new ATOM 167 N ILE A 278 29.611 -2.714 -30.136 1.00 0.00 N ATOM 168 CA ILE A 278 28.533 -1.737 -30.011 1.00 0.00 C ATOM 169 C ILE A 278 27.395 -2.077 -30.975 1.00 0.00 C ATOM 170 O ILE A 278 26.441 -1.315 -31.127 1.00 0.00 O ATOM 171 CB ILE A 278 29.058 -0.322 -30.307 1.00 0.00 C ATOM 172 CG1 ILE A 278 30.404 -0.116 -29.599 1.00 0.00 C ATOM 173 CG2 ILE A 278 28.052 0.734 -29.804 1.00 0.00 C ATOM 174 CD1 ILE A 278 30.853 1.337 -29.773 1.00 0.00 C ATOM 0 H ILE A 278 29.756 -3.292 -29.308 1.00 0.00 H new ATOM 0 HA ILE A 278 28.155 -1.769 -28.989 1.00 0.00 H new ATOM 0 HB ILE A 278 29.186 -0.211 -31.384 1.00 0.00 H new ATOM 0 HG12 ILE A 278 30.310 -0.355 -28.540 1.00 0.00 H new ATOM 0 HG13 ILE A 278 31.152 -0.792 -30.013 1.00 0.00 H new ATOM 0 HG21 ILE A 278 28.434 1.732 -30.019 1.00 0.00 H new ATOM 0 HG22 ILE A 278 27.096 0.595 -30.309 1.00 0.00 H new ATOM 0 HG23 ILE A 278 27.914 0.622 -28.729 1.00 0.00 H new ATOM 0 HD11 ILE A 278 31.809 1.485 -29.271 1.00 0.00 H new ATOM 0 HD12 ILE A 278 30.963 1.559 -30.834 1.00 0.00 H new ATOM 0 HD13 ILE A 278 30.108 2.003 -29.338 1.00 0.00 H new ATOM 186 N ASN A 279 27.502 -3.235 -31.618 1.00 0.00 N ATOM 187 CA ASN A 279 26.476 -3.680 -32.555 1.00 0.00 C ATOM 188 C ASN A 279 25.112 -3.750 -31.870 1.00 0.00 C ATOM 189 O ASN A 279 24.075 -3.787 -32.531 1.00 0.00 O ATOM 190 CB ASN A 279 26.839 -5.055 -33.118 1.00 0.00 C ATOM 191 CG ASN A 279 25.892 -5.415 -34.257 1.00 0.00 C ATOM 192 OD1 ASN A 279 25.079 -6.329 -34.125 1.00 0.00 O ATOM 193 ND2 ASN A 279 25.946 -4.740 -35.373 1.00 0.00 N ATOM 0 H ASN A 279 28.285 -3.880 -31.509 1.00 0.00 H new ATOM 0 HA ASN A 279 26.422 -2.958 -33.370 1.00 0.00 H new ATOM 0 HB2 ASN A 279 27.868 -5.051 -33.477 1.00 0.00 H new ATOM 0 HB3 ASN A 279 26.779 -5.807 -32.332 1.00 0.00 H new ATOM 0 HD21 ASN A 279 25.313 -4.970 -36.139 1.00 0.00 H new ATOM 0 HD22 ASN A 279 26.621 -3.983 -35.479 1.00 0.00 H new ATOM 200 N LYS A 280 25.130 -3.785 -30.540 1.00 0.00 N ATOM 201 CA LYS A 280 23.901 -3.868 -29.749 1.00 0.00 C ATOM 202 C LYS A 280 22.838 -2.871 -30.225 1.00 0.00 C ATOM 203 O LYS A 280 21.744 -2.820 -29.668 1.00 0.00 O ATOM 204 CB LYS A 280 24.227 -3.658 -28.254 1.00 0.00 C ATOM 205 CG LYS A 280 24.016 -2.197 -27.811 1.00 0.00 C ATOM 206 CD LYS A 280 24.951 -1.270 -28.592 1.00 0.00 C ATOM 207 CE LYS A 280 24.814 0.160 -28.063 1.00 0.00 C ATOM 208 NZ LYS A 280 23.494 0.321 -27.390 1.00 0.00 N ATOM 0 H LYS A 280 25.985 -3.757 -29.984 1.00 0.00 H new ATOM 0 HA LYS A 280 23.479 -4.863 -29.887 1.00 0.00 H new ATOM 0 HB2 LYS A 280 23.598 -4.313 -27.651 1.00 0.00 H new ATOM 0 HB3 LYS A 280 25.261 -3.947 -28.065 1.00 0.00 H new ATOM 0 HG2 LYS A 280 22.979 -1.905 -27.977 1.00 0.00 H new ATOM 0 HG3 LYS A 280 24.207 -2.102 -26.742 1.00 0.00 H new ATOM 0 HD2 LYS A 280 25.982 -1.608 -28.492 1.00 0.00 H new ATOM 0 HD3 LYS A 280 24.707 -1.301 -29.654 1.00 0.00 H new ATOM 0 HE2 LYS A 280 25.620 0.378 -27.362 1.00 0.00 H new ATOM 0 HE3 LYS A 280 24.904 0.872 -28.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 23.315 1.330 -27.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 22.744 -0.061 -28.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 23.500 -0.193 -26.486 1.00 0.00 H new ATOM 222 N LYS A 281 23.162 -2.069 -31.232 1.00 0.00 N ATOM 223 CA LYS A 281 22.213 -1.081 -31.730 1.00 0.00 C ATOM 224 C LYS A 281 20.817 -1.691 -31.818 1.00 0.00 C ATOM 225 O LYS A 281 19.818 -0.997 -31.624 1.00 0.00 O ATOM 226 CB LYS A 281 22.643 -0.594 -33.115 1.00 0.00 C ATOM 227 CG LYS A 281 24.106 -0.141 -33.079 1.00 0.00 C ATOM 228 CD LYS A 281 24.277 1.000 -32.075 1.00 0.00 C ATOM 229 CE LYS A 281 25.605 1.713 -32.339 1.00 0.00 C ATOM 230 NZ LYS A 281 26.605 0.730 -32.842 1.00 0.00 N ATOM 0 H LYS A 281 24.061 -2.082 -31.714 1.00 0.00 H new ATOM 0 HA LYS A 281 22.194 -0.238 -31.040 1.00 0.00 H new ATOM 0 HB2 LYS A 281 22.519 -1.393 -33.846 1.00 0.00 H new ATOM 0 HB3 LYS A 281 22.006 0.231 -33.434 1.00 0.00 H new ATOM 0 HG2 LYS A 281 24.748 -0.978 -32.803 1.00 0.00 H new ATOM 0 HG3 LYS A 281 24.418 0.187 -34.071 1.00 0.00 H new ATOM 0 HD2 LYS A 281 23.450 1.704 -32.163 1.00 0.00 H new ATOM 0 HD3 LYS A 281 24.257 0.610 -31.057 1.00 0.00 H new ATOM 0 HE2 LYS A 281 25.463 2.510 -33.069 1.00 0.00 H new ATOM 0 HE3 LYS A 281 25.967 2.180 -31.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 27.558 1.142 -32.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 26.564 -0.134 -32.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 26.392 0.494 -33.832 1.00 0.00 H new ATOM 244 N LEU A 282 20.751 -2.989 -32.094 1.00 0.00 N ATOM 245 CA LEU A 282 19.462 -3.666 -32.181 1.00 0.00 C ATOM 246 C LEU A 282 18.742 -3.562 -30.840 1.00 0.00 C ATOM 247 O LEU A 282 17.520 -3.418 -30.784 1.00 0.00 O ATOM 248 CB LEU A 282 19.663 -5.138 -32.550 1.00 0.00 C ATOM 249 CG LEU A 282 20.442 -5.238 -33.864 1.00 0.00 C ATOM 250 CD1 LEU A 282 20.572 -6.708 -34.270 1.00 0.00 C ATOM 251 CD2 LEU A 282 19.697 -4.473 -34.962 1.00 0.00 C ATOM 0 H LEU A 282 21.561 -3.586 -32.259 1.00 0.00 H new ATOM 0 HA LEU A 282 18.860 -3.190 -32.955 1.00 0.00 H new ATOM 0 HB2 LEU A 282 20.204 -5.652 -31.755 1.00 0.00 H new ATOM 0 HB3 LEU A 282 18.697 -5.633 -32.650 1.00 0.00 H new ATOM 0 HG LEU A 282 21.434 -4.807 -33.729 1.00 0.00 H new ATOM 0 HD11 LEU A 282 21.127 -6.779 -35.206 1.00 0.00 H new ATOM 0 HD12 LEU A 282 21.103 -7.255 -33.491 1.00 0.00 H new ATOM 0 HD13 LEU A 282 19.579 -7.138 -34.403 1.00 0.00 H new ATOM 0 HD21 LEU A 282 20.253 -4.545 -35.897 1.00 0.00 H new ATOM 0 HD22 LEU A 282 18.704 -4.903 -35.096 1.00 0.00 H new ATOM 0 HD23 LEU A 282 19.603 -3.425 -34.676 1.00 0.00 H new ATOM 263 N ASP A 283 19.520 -3.616 -29.765 1.00 0.00 N ATOM 264 CA ASP A 283 18.976 -3.508 -28.418 1.00 0.00 C ATOM 265 C ASP A 283 18.604 -2.059 -28.121 1.00 0.00 C ATOM 266 O ASP A 283 19.334 -1.138 -28.488 1.00 0.00 O ATOM 267 CB ASP A 283 20.006 -3.989 -27.394 1.00 0.00 C ATOM 268 CG ASP A 283 19.380 -4.028 -26.005 1.00 0.00 C ATOM 269 OD1 ASP A 283 18.189 -3.784 -25.907 1.00 0.00 O ATOM 270 OD2 ASP A 283 20.101 -4.299 -25.058 1.00 0.00 O ATOM 0 H ASP A 283 20.532 -3.734 -29.801 1.00 0.00 H new ATOM 0 HA ASP A 283 18.085 -4.132 -28.351 1.00 0.00 H new ATOM 0 HB2 ASP A 283 20.367 -4.980 -27.667 1.00 0.00 H new ATOM 0 HB3 ASP A 283 20.870 -3.324 -27.394 1.00 0.00 H new ATOM 275 N LEU A 284 17.472 -1.858 -27.458 1.00 0.00 N ATOM 276 CA LEU A 284 17.032 -0.514 -27.126 1.00 0.00 C ATOM 277 C LEU A 284 18.044 0.138 -26.202 1.00 0.00 C ATOM 278 O LEU A 284 18.199 1.360 -26.195 1.00 0.00 O ATOM 279 CB LEU A 284 15.668 -0.566 -26.438 1.00 0.00 C ATOM 280 CG LEU A 284 14.734 -1.478 -27.228 1.00 0.00 C ATOM 281 CD1 LEU A 284 13.304 -1.306 -26.714 1.00 0.00 C ATOM 282 CD2 LEU A 284 14.803 -1.108 -28.710 1.00 0.00 C ATOM 0 H LEU A 284 16.849 -2.602 -27.143 1.00 0.00 H new ATOM 0 HA LEU A 284 16.947 0.070 -28.042 1.00 0.00 H new ATOM 0 HB2 LEU A 284 15.777 -0.935 -25.418 1.00 0.00 H new ATOM 0 HB3 LEU A 284 15.244 0.436 -26.371 1.00 0.00 H new ATOM 0 HG LEU A 284 15.037 -2.517 -27.102 1.00 0.00 H new ATOM 0 HD11 LEU A 284 12.634 -1.956 -27.277 1.00 0.00 H new ATOM 0 HD12 LEU A 284 13.263 -1.570 -25.657 1.00 0.00 H new ATOM 0 HD13 LEU A 284 12.994 -0.269 -26.841 1.00 0.00 H new ATOM 0 HD21 LEU A 284 14.137 -1.757 -29.278 1.00 0.00 H new ATOM 0 HD22 LEU A 284 14.497 -0.070 -28.841 1.00 0.00 H new ATOM 0 HD23 LEU A 284 15.825 -1.233 -29.069 1.00 0.00 H new ATOM 294 N SER A 285 18.721 -0.697 -25.419 1.00 0.00 N ATOM 295 CA SER A 285 19.722 -0.223 -24.472 1.00 0.00 C ATOM 296 C SER A 285 19.064 0.070 -23.130 1.00 0.00 C ATOM 297 O SER A 285 18.260 -0.720 -22.638 1.00 0.00 O ATOM 298 CB SER A 285 20.415 1.035 -25.003 1.00 0.00 C ATOM 299 OG SER A 285 20.505 0.959 -26.420 1.00 0.00 O ATOM 0 H SER A 285 18.593 -1.709 -25.423 1.00 0.00 H new ATOM 0 HA SER A 285 20.475 -1.001 -24.342 1.00 0.00 H new ATOM 0 HB2 SER A 285 19.856 1.923 -24.710 1.00 0.00 H new ATOM 0 HB3 SER A 285 21.410 1.127 -24.568 1.00 0.00 H new ATOM 0 HG SER A 285 19.846 1.563 -26.822 1.00 0.00 H new ATOM 305 N ASN A 286 19.401 1.210 -22.550 1.00 0.00 N ATOM 306 CA ASN A 286 18.826 1.598 -21.270 1.00 0.00 C ATOM 307 C ASN A 286 17.307 1.668 -21.378 1.00 0.00 C ATOM 308 O ASN A 286 16.593 1.409 -20.409 1.00 0.00 O ATOM 309 CB ASN A 286 19.374 2.958 -20.837 1.00 0.00 C ATOM 310 CG ASN A 286 19.009 3.225 -19.380 1.00 0.00 C ATOM 311 OD1 ASN A 286 18.381 2.310 -18.696 1.00 0.00 O flip ATOM 312 ND2 ASN A 286 19.305 4.298 -18.854 1.00 0.00 N flip ATOM 0 H ASN A 286 20.064 1.879 -22.940 1.00 0.00 H new ATOM 0 HA ASN A 286 19.098 0.850 -20.525 1.00 0.00 H new ATOM 0 HB2 ASN A 286 20.457 2.979 -20.959 1.00 0.00 H new ATOM 0 HB3 ASN A 286 18.966 3.744 -21.473 1.00 0.00 H new ATOM 0 HD21 ASN A 286 19.796 5.012 -19.392 1.00 0.00 H new ATOM 0 HD22 ASN A 286 19.059 4.473 -17.880 1.00 0.00 H new ATOM 319 N VAL A 287 16.819 2.022 -22.565 1.00 0.00 N ATOM 320 CA VAL A 287 15.384 2.122 -22.787 1.00 0.00 C ATOM 321 C VAL A 287 14.720 0.769 -22.572 1.00 0.00 C ATOM 322 O VAL A 287 13.577 0.690 -22.123 1.00 0.00 O ATOM 323 CB VAL A 287 15.109 2.624 -24.204 1.00 0.00 C ATOM 324 CG1 VAL A 287 13.619 2.477 -24.520 1.00 0.00 C ATOM 325 CG2 VAL A 287 15.505 4.098 -24.304 1.00 0.00 C ATOM 0 H VAL A 287 17.393 2.242 -23.379 1.00 0.00 H new ATOM 0 HA VAL A 287 14.967 2.832 -22.072 1.00 0.00 H new ATOM 0 HB VAL A 287 15.690 2.038 -24.916 1.00 0.00 H new ATOM 0 HG11 VAL A 287 13.424 2.835 -25.531 1.00 0.00 H new ATOM 0 HG12 VAL A 287 13.333 1.428 -24.446 1.00 0.00 H new ATOM 0 HG13 VAL A 287 13.037 3.063 -23.809 1.00 0.00 H new ATOM 0 HG21 VAL A 287 15.310 4.459 -25.314 1.00 0.00 H new ATOM 0 HG22 VAL A 287 14.922 4.681 -23.591 1.00 0.00 H new ATOM 0 HG23 VAL A 287 16.566 4.206 -24.079 1.00 0.00 H new ATOM 335 N GLN A 288 15.451 -0.296 -22.889 1.00 0.00 N ATOM 336 CA GLN A 288 14.926 -1.643 -22.719 1.00 0.00 C ATOM 337 C GLN A 288 14.377 -1.831 -21.317 1.00 0.00 C ATOM 338 O GLN A 288 13.565 -2.720 -21.080 1.00 0.00 O ATOM 339 CB GLN A 288 16.015 -2.683 -22.975 1.00 0.00 C ATOM 340 CG GLN A 288 15.448 -4.080 -22.706 1.00 0.00 C ATOM 341 CD GLN A 288 16.438 -5.137 -23.183 1.00 0.00 C ATOM 342 OE1 GLN A 288 17.477 -4.774 -23.886 1.00 0.00 O flip ATOM 343 NE2 GLN A 288 16.259 -6.325 -22.913 1.00 0.00 N flip ATOM 0 H GLN A 288 16.400 -0.252 -23.261 1.00 0.00 H new ATOM 0 HA GLN A 288 14.122 -1.779 -23.442 1.00 0.00 H new ATOM 0 HB2 GLN A 288 16.368 -2.612 -24.004 1.00 0.00 H new ATOM 0 HB3 GLN A 288 16.873 -2.495 -22.330 1.00 0.00 H new ATOM 0 HG2 GLN A 288 15.253 -4.205 -21.641 1.00 0.00 H new ATOM 0 HG3 GLN A 288 14.495 -4.202 -23.221 1.00 0.00 H new ATOM 0 HE21 GLN A 288 15.447 -6.606 -22.364 1.00 0.00 H new ATOM 0 HE22 GLN A 288 16.923 -7.028 -23.239 1.00 0.00 H new ATOM 352 N SER A 289 14.834 -0.997 -20.388 1.00 0.00 N ATOM 353 CA SER A 289 14.386 -1.091 -19.005 1.00 0.00 C ATOM 354 C SER A 289 14.522 -2.525 -18.504 1.00 0.00 C ATOM 355 O SER A 289 15.480 -2.863 -17.809 1.00 0.00 O ATOM 356 CB SER A 289 12.925 -0.643 -18.899 1.00 0.00 C ATOM 357 OG SER A 289 12.567 -0.531 -17.528 1.00 0.00 O ATOM 0 H SER A 289 15.509 -0.254 -20.567 1.00 0.00 H new ATOM 0 HA SER A 289 15.007 -0.440 -18.390 1.00 0.00 H new ATOM 0 HB2 SER A 289 12.789 0.314 -19.402 1.00 0.00 H new ATOM 0 HB3 SER A 289 12.275 -1.361 -19.399 1.00 0.00 H new ATOM 0 HG SER A 289 11.633 -0.243 -17.456 1.00 0.00 H new ATOM 363 N LYS A 290 13.560 -3.365 -18.869 1.00 0.00 N ATOM 364 CA LYS A 290 13.572 -4.764 -18.465 1.00 0.00 C ATOM 365 C LYS A 290 13.335 -5.674 -19.666 1.00 0.00 C ATOM 366 O LYS A 290 12.620 -5.313 -20.600 1.00 0.00 O ATOM 367 CB LYS A 290 12.485 -5.013 -17.427 1.00 0.00 C ATOM 368 CG LYS A 290 12.618 -6.435 -16.887 1.00 0.00 C ATOM 369 CD LYS A 290 11.437 -6.729 -15.972 1.00 0.00 C ATOM 370 CE LYS A 290 11.629 -8.095 -15.313 1.00 0.00 C ATOM 371 NZ LYS A 290 12.498 -8.946 -16.175 1.00 0.00 N ATOM 0 H LYS A 290 12.761 -3.100 -19.445 1.00 0.00 H new ATOM 0 HA LYS A 290 14.549 -4.988 -18.038 1.00 0.00 H new ATOM 0 HB2 LYS A 290 12.572 -4.293 -16.613 1.00 0.00 H new ATOM 0 HB3 LYS A 290 11.501 -4.872 -17.874 1.00 0.00 H new ATOM 0 HG2 LYS A 290 12.644 -7.149 -17.710 1.00 0.00 H new ATOM 0 HG3 LYS A 290 13.555 -6.544 -16.340 1.00 0.00 H new ATOM 0 HD2 LYS A 290 11.353 -5.954 -15.210 1.00 0.00 H new ATOM 0 HD3 LYS A 290 10.509 -6.716 -16.543 1.00 0.00 H new ATOM 0 HE2 LYS A 290 12.081 -7.975 -14.328 1.00 0.00 H new ATOM 0 HE3 LYS A 290 10.663 -8.577 -15.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 12.492 -9.923 -15.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 12.139 -8.932 -17.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 13.470 -8.578 -16.159 1.00 0.00 H new ATOM 385 N CYS A 291 13.930 -6.863 -19.628 1.00 0.00 N ATOM 386 CA CYS A 291 13.767 -7.826 -20.711 1.00 0.00 C ATOM 387 C CYS A 291 12.690 -8.843 -20.344 1.00 0.00 C ATOM 388 O CYS A 291 12.598 -9.271 -19.193 1.00 0.00 O ATOM 389 CB CYS A 291 15.089 -8.549 -20.972 1.00 0.00 C ATOM 390 SG CYS A 291 14.880 -9.714 -22.342 1.00 0.00 S ATOM 0 H CYS A 291 14.526 -7.181 -18.864 1.00 0.00 H new ATOM 0 HA CYS A 291 13.466 -7.294 -21.614 1.00 0.00 H new ATOM 0 HB2 CYS A 291 15.870 -7.827 -21.211 1.00 0.00 H new ATOM 0 HB3 CYS A 291 15.409 -9.079 -20.075 1.00 0.00 H new ATOM 0 HG CYS A 291 16.004 -10.327 -22.566 1.00 0.00 H new ATOM 396 N GLY A 292 11.871 -9.220 -21.321 1.00 0.00 N ATOM 397 CA GLY A 292 10.799 -10.181 -21.078 1.00 0.00 C ATOM 398 C GLY A 292 9.470 -9.471 -20.863 1.00 0.00 C ATOM 399 O GLY A 292 8.705 -9.828 -19.966 1.00 0.00 O ATOM 0 H GLY A 292 11.927 -8.879 -22.281 1.00 0.00 H new ATOM 0 HA2 GLY A 292 10.718 -10.863 -21.924 1.00 0.00 H new ATOM 0 HA3 GLY A 292 11.039 -10.785 -20.203 1.00 0.00 H new ATOM 403 N SER A 293 9.200 -8.461 -21.682 1.00 0.00 N ATOM 404 CA SER A 293 7.957 -7.711 -21.556 1.00 0.00 C ATOM 405 C SER A 293 8.054 -6.378 -22.301 1.00 0.00 C ATOM 406 O SER A 293 8.740 -5.460 -21.853 1.00 0.00 O ATOM 407 CB SER A 293 7.672 -7.467 -20.069 1.00 0.00 C ATOM 408 OG SER A 293 6.799 -8.482 -19.587 1.00 0.00 O ATOM 0 H SER A 293 9.816 -8.146 -22.431 1.00 0.00 H new ATOM 0 HA SER A 293 7.143 -8.286 -21.998 1.00 0.00 H new ATOM 0 HB2 SER A 293 8.603 -7.472 -19.502 1.00 0.00 H new ATOM 0 HB3 SER A 293 7.220 -6.485 -19.929 1.00 0.00 H new ATOM 0 HG SER A 293 7.222 -9.359 -19.701 1.00 0.00 H new ATOM 414 N LYS A 294 7.364 -6.276 -23.441 1.00 0.00 N ATOM 415 CA LYS A 294 7.394 -5.045 -24.222 1.00 0.00 C ATOM 416 C LYS A 294 8.829 -4.570 -24.309 1.00 0.00 C ATOM 417 O LYS A 294 9.101 -3.404 -24.585 1.00 0.00 O ATOM 418 CB LYS A 294 6.545 -3.958 -23.546 1.00 0.00 C ATOM 419 CG LYS A 294 6.229 -2.832 -24.536 1.00 0.00 C ATOM 420 CD LYS A 294 5.635 -1.645 -23.776 1.00 0.00 C ATOM 421 CE LYS A 294 5.111 -0.608 -24.772 1.00 0.00 C ATOM 422 NZ LYS A 294 4.856 0.678 -24.063 1.00 0.00 N ATOM 0 H LYS A 294 6.788 -7.020 -23.835 1.00 0.00 H new ATOM 0 HA LYS A 294 6.989 -5.237 -25.216 1.00 0.00 H new ATOM 0 HB2 LYS A 294 5.618 -4.392 -23.172 1.00 0.00 H new ATOM 0 HB3 LYS A 294 7.078 -3.555 -22.685 1.00 0.00 H new ATOM 0 HG2 LYS A 294 7.135 -2.527 -25.059 1.00 0.00 H new ATOM 0 HG3 LYS A 294 5.527 -3.183 -25.292 1.00 0.00 H new ATOM 0 HD2 LYS A 294 4.826 -1.983 -23.128 1.00 0.00 H new ATOM 0 HD3 LYS A 294 6.392 -1.196 -23.133 1.00 0.00 H new ATOM 0 HE2 LYS A 294 5.836 -0.457 -25.571 1.00 0.00 H new ATOM 0 HE3 LYS A 294 4.193 -0.967 -25.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 4.500 1.383 -24.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 4.149 0.528 -23.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 5.741 1.022 -23.639 1.00 0.00 H new ATOM 436 N ASP A 295 9.754 -5.476 -24.033 1.00 0.00 N ATOM 437 CA ASP A 295 11.148 -5.104 -24.051 1.00 0.00 C ATOM 438 C ASP A 295 11.341 -3.889 -23.173 1.00 0.00 C ATOM 439 O ASP A 295 12.409 -3.278 -23.167 1.00 0.00 O ATOM 440 CB ASP A 295 11.566 -4.740 -25.467 1.00 0.00 C ATOM 441 CG ASP A 295 11.914 -5.995 -26.260 1.00 0.00 C ATOM 442 OD1 ASP A 295 11.873 -7.067 -25.682 1.00 0.00 O ATOM 443 OD2 ASP A 295 12.217 -5.863 -27.435 1.00 0.00 O ATOM 0 H ASP A 295 9.566 -6.451 -23.800 1.00 0.00 H new ATOM 0 HA ASP A 295 11.748 -5.940 -23.691 1.00 0.00 H new ATOM 0 HB2 ASP A 295 10.759 -4.201 -25.964 1.00 0.00 H new ATOM 0 HB3 ASP A 295 12.426 -4.071 -25.438 1.00 0.00 H new ATOM 448 N ASN A 296 10.294 -3.520 -22.446 1.00 0.00 N ATOM 449 CA ASN A 296 10.371 -2.356 -21.598 1.00 0.00 C ATOM 450 C ASN A 296 9.574 -2.560 -20.336 1.00 0.00 C ATOM 451 O ASN A 296 10.138 -2.593 -19.245 1.00 0.00 O ATOM 452 CB ASN A 296 9.836 -1.133 -22.347 1.00 0.00 C ATOM 453 CG ASN A 296 10.645 -0.906 -23.619 1.00 0.00 C ATOM 454 OD1 ASN A 296 11.867 -1.057 -23.616 1.00 0.00 O ATOM 455 ND2 ASN A 296 10.032 -0.551 -24.716 1.00 0.00 N ATOM 0 H ASN A 296 9.398 -4.007 -22.431 1.00 0.00 H new ATOM 0 HA ASN A 296 11.415 -2.195 -21.330 1.00 0.00 H new ATOM 0 HB2 ASN A 296 8.785 -1.280 -22.596 1.00 0.00 H new ATOM 0 HB3 ASN A 296 9.892 -0.252 -21.708 1.00 0.00 H new ATOM 0 HD21 ASN A 296 10.566 -0.398 -25.572 1.00 0.00 H new ATOM 0 HD22 ASN A 296 9.020 -0.426 -24.717 1.00 0.00 H new ATOM 462 N ILE A 297 8.258 -2.675 -20.479 1.00 0.00 N ATOM 463 CA ILE A 297 7.406 -2.838 -19.311 1.00 0.00 C ATOM 464 C ILE A 297 6.038 -3.446 -19.640 1.00 0.00 C ATOM 465 O ILE A 297 5.017 -2.920 -19.198 1.00 0.00 O ATOM 466 CB ILE A 297 7.179 -1.472 -18.647 1.00 0.00 C ATOM 467 CG1 ILE A 297 6.549 -0.507 -19.652 1.00 0.00 C ATOM 468 CG2 ILE A 297 8.503 -0.882 -18.153 1.00 0.00 C ATOM 469 CD1 ILE A 297 5.921 0.655 -18.887 1.00 0.00 C ATOM 0 H ILE A 297 7.768 -2.659 -21.373 1.00 0.00 H new ATOM 0 HA ILE A 297 7.924 -3.527 -18.644 1.00 0.00 H new ATOM 0 HB ILE A 297 6.513 -1.613 -17.796 1.00 0.00 H new ATOM 0 HG12 ILE A 297 7.304 -0.138 -20.346 1.00 0.00 H new ATOM 0 HG13 ILE A 297 5.793 -1.021 -20.246 1.00 0.00 H new ATOM 0 HG21 ILE A 297 8.318 0.086 -17.686 1.00 0.00 H new ATOM 0 HG22 ILE A 297 8.953 -1.557 -17.424 1.00 0.00 H new ATOM 0 HG23 ILE A 297 9.182 -0.754 -18.996 1.00 0.00 H new ATOM 0 HD11 ILE A 297 5.467 1.352 -19.592 1.00 0.00 H new ATOM 0 HD12 ILE A 297 5.156 0.274 -18.210 1.00 0.00 H new ATOM 0 HD13 ILE A 297 6.690 1.170 -18.312 1.00 0.00 H new ATOM 481 N LYS A 298 5.995 -4.558 -20.363 1.00 0.00 N ATOM 482 CA LYS A 298 4.700 -5.176 -20.641 1.00 0.00 C ATOM 483 C LYS A 298 4.033 -5.473 -19.313 1.00 0.00 C ATOM 484 O LYS A 298 2.809 -5.546 -19.203 1.00 0.00 O ATOM 485 CB LYS A 298 4.851 -6.496 -21.396 1.00 0.00 C ATOM 486 CG LYS A 298 3.488 -6.939 -21.914 1.00 0.00 C ATOM 487 CD LYS A 298 3.615 -8.313 -22.577 1.00 0.00 C ATOM 488 CE LYS A 298 2.278 -8.699 -23.213 1.00 0.00 C ATOM 489 NZ LYS A 298 2.480 -9.857 -24.129 1.00 0.00 N ATOM 0 H LYS A 298 6.806 -5.037 -20.755 1.00 0.00 H new ATOM 0 HA LYS A 298 4.115 -4.492 -21.256 1.00 0.00 H new ATOM 0 HB2 LYS A 298 5.547 -6.376 -22.226 1.00 0.00 H new ATOM 0 HB3 LYS A 298 5.268 -7.259 -20.738 1.00 0.00 H new ATOM 0 HG2 LYS A 298 2.772 -6.984 -21.093 1.00 0.00 H new ATOM 0 HG3 LYS A 298 3.106 -6.212 -22.630 1.00 0.00 H new ATOM 0 HD2 LYS A 298 4.398 -8.292 -23.335 1.00 0.00 H new ATOM 0 HD3 LYS A 298 3.907 -9.059 -21.838 1.00 0.00 H new ATOM 0 HE2 LYS A 298 1.555 -8.956 -22.439 1.00 0.00 H new ATOM 0 HE3 LYS A 298 1.867 -7.853 -23.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 1.572 -10.120 -24.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 3.156 -9.596 -24.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 2.854 -10.665 -23.591 1.00 0.00 H new ATOM 503 N HIS A 299 4.878 -5.665 -18.310 1.00 0.00 N ATOM 504 CA HIS A 299 4.428 -5.983 -16.970 1.00 0.00 C ATOM 505 C HIS A 299 3.725 -4.783 -16.323 1.00 0.00 C ATOM 506 O HIS A 299 3.938 -3.640 -16.720 1.00 0.00 O ATOM 507 CB HIS A 299 5.636 -6.451 -16.147 1.00 0.00 C ATOM 508 CG HIS A 299 6.496 -5.287 -15.752 1.00 0.00 C ATOM 509 ND1 HIS A 299 6.671 -4.053 -16.306 1.00 0.00 N flip ATOM 510 CD2 HIS A 299 7.330 -5.327 -14.646 1.00 0.00 C flip ATOM 511 CE1 HIS A 299 7.596 -3.328 -15.564 1.00 0.00 C flip ATOM 512 NE2 HIS A 299 7.962 -4.143 -14.574 1.00 0.00 N flip ATOM 0 H HIS A 299 5.892 -5.604 -18.406 1.00 0.00 H new ATOM 0 HA HIS A 299 3.692 -6.786 -17.008 1.00 0.00 H new ATOM 0 HB2 HIS A 299 5.293 -6.974 -15.255 1.00 0.00 H new ATOM 0 HB3 HIS A 299 6.223 -7.162 -16.728 1.00 0.00 H new ATOM 0 HD2 HIS A 299 7.450 -6.158 -13.966 1.00 0.00 H new ATOM 0 HE1 HIS A 299 7.943 -2.322 -15.749 1.00 0.00 H new ATOM 0 HE2 HIS A 299 8.638 -3.898 -13.851 1.00 0.00 H new ATOM 521 N VAL A 300 2.860 -5.066 -15.344 1.00 0.00 N ATOM 522 CA VAL A 300 2.089 -4.019 -14.656 1.00 0.00 C ATOM 523 C VAL A 300 2.923 -3.194 -13.674 1.00 0.00 C ATOM 524 O VAL A 300 3.003 -1.972 -13.789 1.00 0.00 O ATOM 525 CB VAL A 300 0.950 -4.659 -13.867 1.00 0.00 C ATOM 526 CG1 VAL A 300 0.183 -3.579 -13.101 1.00 0.00 C ATOM 527 CG2 VAL A 300 0.006 -5.383 -14.827 1.00 0.00 C ATOM 0 H VAL A 300 2.674 -6.011 -15.008 1.00 0.00 H new ATOM 0 HA VAL A 300 1.724 -3.351 -15.436 1.00 0.00 H new ATOM 0 HB VAL A 300 1.360 -5.377 -13.157 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -0.630 -4.039 -12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 300 0.859 -3.072 -12.413 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -0.228 -2.855 -13.805 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -0.807 -5.840 -14.263 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -0.404 -4.669 -15.541 1.00 0.00 H new ATOM 0 HG23 VAL A 300 0.555 -6.157 -15.363 1.00 0.00 H new ATOM 537 N PRO A 301 3.493 -3.837 -12.687 1.00 0.00 N ATOM 538 CA PRO A 301 4.275 -3.140 -11.639 1.00 0.00 C ATOM 539 C PRO A 301 5.279 -2.154 -12.227 1.00 0.00 C ATOM 540 O PRO A 301 5.886 -2.413 -13.267 1.00 0.00 O ATOM 541 CB PRO A 301 4.961 -4.304 -10.934 1.00 0.00 C ATOM 542 CG PRO A 301 5.256 -5.282 -12.021 1.00 0.00 C ATOM 543 CD PRO A 301 4.238 -5.025 -13.139 1.00 0.00 C ATOM 0 HA PRO A 301 3.666 -2.524 -10.978 1.00 0.00 H new ATOM 0 HB2 PRO A 301 5.874 -3.981 -10.433 1.00 0.00 H new ATOM 0 HB3 PRO A 301 4.316 -4.741 -10.172 1.00 0.00 H new ATOM 0 HG2 PRO A 301 6.274 -5.155 -12.389 1.00 0.00 H new ATOM 0 HG3 PRO A 301 5.175 -6.305 -11.653 1.00 0.00 H new ATOM 0 HD2 PRO A 301 4.732 -4.845 -14.094 1.00 0.00 H new ATOM 0 HD3 PRO A 301 3.576 -5.880 -13.279 1.00 0.00 H new ATOM 551 N GLY A 302 5.440 -1.016 -11.559 1.00 0.00 N ATOM 552 CA GLY A 302 6.360 0.012 -12.029 1.00 0.00 C ATOM 553 C GLY A 302 5.630 1.042 -12.886 1.00 0.00 C ATOM 554 O GLY A 302 6.251 1.788 -13.643 1.00 0.00 O ATOM 0 H GLY A 302 4.948 -0.784 -10.696 1.00 0.00 H new ATOM 0 HA2 GLY A 302 6.826 0.506 -11.177 1.00 0.00 H new ATOM 0 HA3 GLY A 302 7.161 -0.448 -12.608 1.00 0.00 H new ATOM 558 N GLY A 303 4.305 1.075 -12.762 1.00 0.00 N ATOM 559 CA GLY A 303 3.495 2.016 -13.533 1.00 0.00 C ATOM 560 C GLY A 303 3.165 1.447 -14.908 1.00 0.00 C ATOM 561 O GLY A 303 2.948 2.190 -15.865 1.00 0.00 O ATOM 0 H GLY A 303 3.773 0.466 -12.140 1.00 0.00 H new ATOM 0 HA2 GLY A 303 2.573 2.235 -12.994 1.00 0.00 H new ATOM 0 HA3 GLY A 303 4.031 2.958 -13.644 1.00 0.00 H new ATOM 565 N GLY A 304 3.138 0.122 -14.998 1.00 0.00 N ATOM 566 CA GLY A 304 2.843 -0.551 -16.259 1.00 0.00 C ATOM 567 C GLY A 304 1.342 -0.731 -16.463 1.00 0.00 C ATOM 568 O GLY A 304 0.531 -0.062 -15.825 1.00 0.00 O ATOM 0 H GLY A 304 3.316 -0.507 -14.215 1.00 0.00 H new ATOM 0 HA2 GLY A 304 3.256 0.027 -17.086 1.00 0.00 H new ATOM 0 HA3 GLY A 304 3.332 -1.525 -16.275 1.00 0.00 H new ATOM 572 N SER A 305 0.988 -1.641 -17.371 1.00 0.00 N ATOM 573 CA SER A 305 -0.414 -1.917 -17.676 1.00 0.00 C ATOM 574 C SER A 305 -1.189 -2.293 -16.415 1.00 0.00 C ATOM 575 O SER A 305 -1.104 -1.608 -15.400 1.00 0.00 O ATOM 576 CB SER A 305 -0.509 -3.056 -18.692 1.00 0.00 C ATOM 577 OG SER A 305 0.292 -2.746 -19.823 1.00 0.00 O ATOM 0 H SER A 305 1.653 -2.198 -17.907 1.00 0.00 H new ATOM 0 HA SER A 305 -0.854 -1.012 -18.094 1.00 0.00 H new ATOM 0 HB2 SER A 305 -0.174 -3.990 -18.240 1.00 0.00 H new ATOM 0 HB3 SER A 305 -1.546 -3.202 -18.996 1.00 0.00 H new ATOM 0 HG SER A 305 0.234 -3.476 -20.475 1.00 0.00 H new ATOM 583 N VAL A 306 -1.950 -3.385 -16.493 1.00 0.00 N ATOM 584 CA VAL A 306 -2.740 -3.839 -15.351 1.00 0.00 C ATOM 585 C VAL A 306 -3.106 -5.316 -15.495 1.00 0.00 C ATOM 586 O VAL A 306 -4.122 -5.764 -14.962 1.00 0.00 O ATOM 587 CB VAL A 306 -4.027 -3.015 -15.239 1.00 0.00 C ATOM 588 CG1 VAL A 306 -3.693 -1.574 -14.851 1.00 0.00 C ATOM 589 CG2 VAL A 306 -4.751 -3.022 -16.587 1.00 0.00 C ATOM 0 H VAL A 306 -2.035 -3.966 -17.327 1.00 0.00 H new ATOM 0 HA VAL A 306 -2.137 -3.707 -14.453 1.00 0.00 H new ATOM 0 HB VAL A 306 -4.667 -3.453 -14.473 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -4.613 -0.995 -14.774 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -3.177 -1.566 -13.891 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -3.050 -1.132 -15.612 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -5.667 -2.437 -16.511 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -4.105 -2.587 -17.349 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -4.997 -4.047 -16.862 1.00 0.00 H new ATOM 599 N GLN A 307 -2.286 -6.067 -16.224 1.00 0.00 N ATOM 600 CA GLN A 307 -2.556 -7.487 -16.433 1.00 0.00 C ATOM 601 C GLN A 307 -2.019 -8.340 -15.279 1.00 0.00 C ATOM 602 O GLN A 307 -2.791 -8.896 -14.498 1.00 0.00 O ATOM 603 CB GLN A 307 -1.933 -7.947 -17.759 1.00 0.00 C ATOM 604 CG GLN A 307 -0.765 -7.031 -18.124 1.00 0.00 C ATOM 605 CD GLN A 307 -0.077 -7.544 -19.384 1.00 0.00 C ATOM 606 OE1 GLN A 307 0.613 -6.718 -20.122 1.00 0.00 O flip ATOM 607 NE2 GLN A 307 -0.173 -8.728 -19.706 1.00 0.00 N flip ATOM 0 H GLN A 307 -1.439 -5.722 -16.675 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.637 -7.620 -16.471 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -1.587 -8.977 -17.671 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -2.683 -7.929 -18.550 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -1.125 -6.015 -18.284 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -0.052 -6.991 -17.301 1.00 0.00 H new ATOM 0 HE21 GLN A 307 -0.713 -9.372 -19.128 1.00 0.00 H new ATOM 0 HE22 GLN A 307 0.287 -9.066 -20.551 1.00 0.00 H new ATOM 616 N ILE A 308 -0.695 -8.458 -15.190 1.00 0.00 N ATOM 617 CA ILE A 308 -0.071 -9.269 -14.140 1.00 0.00 C ATOM 618 C ILE A 308 0.728 -8.406 -13.168 1.00 0.00 C ATOM 619 O ILE A 308 1.479 -7.532 -13.579 1.00 0.00 O ATOM 620 CB ILE A 308 0.846 -10.322 -14.776 1.00 0.00 C ATOM 621 CG1 ILE A 308 1.779 -9.671 -15.815 1.00 0.00 C ATOM 622 CG2 ILE A 308 -0.013 -11.374 -15.476 1.00 0.00 C ATOM 623 CD1 ILE A 308 2.962 -8.965 -15.133 1.00 0.00 C ATOM 0 H ILE A 308 -0.036 -8.007 -15.825 1.00 0.00 H new ATOM 0 HA ILE A 308 -0.864 -9.762 -13.577 1.00 0.00 H new ATOM 0 HB ILE A 308 1.450 -10.780 -13.993 1.00 0.00 H new ATOM 0 HG12 ILE A 308 2.152 -10.432 -16.500 1.00 0.00 H new ATOM 0 HG13 ILE A 308 1.218 -8.952 -16.412 1.00 0.00 H new ATOM 0 HG21 ILE A 308 0.632 -12.126 -15.931 1.00 0.00 H new ATOM 0 HG22 ILE A 308 -0.669 -11.851 -14.748 1.00 0.00 H new ATOM 0 HG23 ILE A 308 -0.615 -10.897 -16.249 1.00 0.00 H new ATOM 0 HD11 ILE A 308 3.603 -8.515 -15.891 1.00 0.00 H new ATOM 0 HD12 ILE A 308 2.587 -8.188 -14.467 1.00 0.00 H new ATOM 0 HD13 ILE A 308 3.536 -9.691 -14.557 1.00 0.00 H new ATOM 635 N VAL A 309 0.559 -8.660 -11.871 1.00 0.00 N ATOM 636 CA VAL A 309 1.269 -7.899 -10.847 1.00 0.00 C ATOM 637 C VAL A 309 2.185 -8.798 -10.014 1.00 0.00 C ATOM 638 O VAL A 309 2.769 -8.345 -9.031 1.00 0.00 O ATOM 639 CB VAL A 309 0.262 -7.214 -9.922 1.00 0.00 C ATOM 640 CG1 VAL A 309 -0.719 -6.387 -10.754 1.00 0.00 C ATOM 641 CG2 VAL A 309 -0.509 -8.277 -9.134 1.00 0.00 C ATOM 0 H VAL A 309 -0.061 -9.384 -11.507 1.00 0.00 H new ATOM 0 HA VAL A 309 1.884 -7.154 -11.352 1.00 0.00 H new ATOM 0 HB VAL A 309 0.792 -6.559 -9.231 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -1.436 -5.900 -10.093 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -0.172 -5.631 -11.316 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -1.250 -7.040 -11.446 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -1.227 -7.791 -8.474 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -1.038 -8.931 -9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 309 0.189 -8.867 -8.539 1.00 0.00 H new ATOM 651 N TYR A 310 2.308 -10.072 -10.394 1.00 0.00 N ATOM 652 CA TYR A 310 3.162 -10.983 -9.633 1.00 0.00 C ATOM 653 C TYR A 310 4.636 -10.637 -9.819 1.00 0.00 C ATOM 654 O TYR A 310 5.512 -11.466 -9.578 1.00 0.00 O ATOM 655 CB TYR A 310 2.907 -12.451 -10.013 1.00 0.00 C ATOM 656 CG TYR A 310 2.838 -12.633 -11.514 1.00 0.00 C ATOM 657 CD1 TYR A 310 3.968 -12.409 -12.310 1.00 0.00 C ATOM 658 CD2 TYR A 310 1.640 -13.055 -12.104 1.00 0.00 C ATOM 659 CE1 TYR A 310 3.898 -12.605 -13.695 1.00 0.00 C ATOM 660 CE2 TYR A 310 1.571 -13.249 -13.489 1.00 0.00 C ATOM 661 CZ TYR A 310 2.700 -13.024 -14.284 1.00 0.00 C ATOM 662 OH TYR A 310 2.634 -13.217 -15.649 1.00 0.00 O ATOM 0 H TYR A 310 1.841 -10.486 -11.201 1.00 0.00 H new ATOM 0 HA TYR A 310 2.906 -10.859 -8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 310 3.702 -13.076 -9.606 1.00 0.00 H new ATOM 0 HB3 TYR A 310 1.974 -12.788 -9.562 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.893 -12.085 -11.856 1.00 0.00 H new ATOM 0 HD2 TYR A 310 0.769 -13.231 -11.490 1.00 0.00 H new ATOM 0 HE1 TYR A 310 4.770 -12.433 -14.309 1.00 0.00 H new ATOM 0 HE2 TYR A 310 0.646 -13.572 -13.944 1.00 0.00 H new ATOM 0 HH TYR A 310 1.911 -13.846 -15.856 1.00 0.00 H new ATOM 672 N LYS A 311 4.897 -9.402 -10.241 1.00 0.00 N ATOM 673 CA LYS A 311 6.265 -8.934 -10.449 1.00 0.00 C ATOM 674 C LYS A 311 7.183 -10.066 -10.907 1.00 0.00 C ATOM 675 O LYS A 311 7.671 -10.848 -10.091 1.00 0.00 O ATOM 676 CB LYS A 311 6.807 -8.324 -9.154 1.00 0.00 C ATOM 677 CG LYS A 311 6.368 -9.171 -7.957 1.00 0.00 C ATOM 678 CD LYS A 311 6.990 -8.607 -6.677 1.00 0.00 C ATOM 679 CE LYS A 311 6.848 -9.629 -5.547 1.00 0.00 C ATOM 680 NZ LYS A 311 7.930 -10.647 -5.660 1.00 0.00 N ATOM 0 H LYS A 311 4.179 -8.707 -10.446 1.00 0.00 H new ATOM 0 HA LYS A 311 6.244 -8.178 -11.234 1.00 0.00 H new ATOM 0 HB2 LYS A 311 7.895 -8.271 -9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 311 6.442 -7.303 -9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 311 5.281 -9.170 -7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 311 6.677 -10.207 -8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 311 8.042 -8.376 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 311 6.498 -7.674 -6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 311 6.904 -9.129 -4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 311 5.872 -10.112 -5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 7.592 -11.556 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 8.195 -10.763 -6.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 8.759 -10.334 -5.116 1.00 0.00 H new ATOM 694 N PRO A 312 7.436 -10.161 -12.192 1.00 0.00 N ATOM 695 CA PRO A 312 8.330 -11.225 -12.738 1.00 0.00 C ATOM 696 C PRO A 312 9.701 -11.229 -12.065 1.00 0.00 C ATOM 697 O PRO A 312 10.678 -10.985 -12.754 1.00 0.00 O ATOM 698 CB PRO A 312 8.445 -10.859 -14.216 1.00 0.00 C ATOM 699 CG PRO A 312 7.147 -10.211 -14.549 1.00 0.00 C ATOM 700 CD PRO A 312 6.680 -9.500 -13.276 1.00 0.00 C ATOM 701 OXT PRO A 312 9.753 -11.475 -10.871 1.00 0.00 O ATOM 0 HA PRO A 312 7.935 -12.227 -12.568 1.00 0.00 H new ATOM 0 HB2 PRO A 312 9.281 -10.183 -14.392 1.00 0.00 H new ATOM 0 HB3 PRO A 312 8.615 -11.743 -14.830 1.00 0.00 H new ATOM 0 HG2 PRO A 312 7.266 -9.502 -15.368 1.00 0.00 H new ATOM 0 HG3 PRO A 312 6.415 -10.951 -14.871 1.00 0.00 H new ATOM 0 HD2 PRO A 312 6.893 -8.432 -13.316 1.00 0.00 H new ATOM 0 HD3 PRO A 312 5.605 -9.605 -13.133 1.00 0.00 H new TER 709 PRO A 312