USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 365 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 305 SER OG : rot 145:sc= -2.67! USER MOD Set 1.2: A 307 GLN : amide:sc= 0.0852 K(o=-2.6,f=-3.8!) USER MOD Single : A 267 LYS NZ :NH3+ 163:sc= -0.386 (180deg=-0.979) USER MOD Single : A 268 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 269 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.21) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= -3.65! C(o=-3.7!,f=-3.4!) USER MOD Single : A 279 ASN : amide:sc= -0.0126 K(o=-0.013,f=-1.8!) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 139:sc= 0.112 (180deg=-0.136) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 ASN :FLIP amide:sc= -0.0333 F(o=-1.6!,f=-0.033) USER MOD Single : A 288 GLN :FLIP amide:sc= 0.19 F(o=-2.6,f=0.19) USER MOD Single : A 289 SER OG : rot 180:sc= -0.194 USER MOD Single : A 290 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 CYS SG : rot 180:sc= 0.0126 USER MOD Single : A 293 SER OG : rot 180:sc= -1.88! USER MOD Single : A 294 LYS NZ :NH3+ -162:sc= -0.562 (180deg=-1.37!) USER MOD Single : A 296 ASN : amide:sc= -2.34! C(o=-2.3!,f=-10!) USER MOD Single : A 298 LYS NZ :NH3+ 145:sc= -0.0678 (180deg=-0.0811) USER MOD Single : A 299 HIS : no HD1:sc= -16.2! C(o=-16!,f=-24!) 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 10.084 -1.106 -34.821 1.00 0.00 N ATOM 2 CA LYS A 267 10.463 -2.500 -34.618 1.00 0.00 C ATOM 3 C LYS A 267 11.972 -2.670 -34.746 1.00 0.00 C ATOM 4 O LYS A 267 12.605 -3.319 -33.915 1.00 0.00 O ATOM 5 CB LYS A 267 9.757 -3.387 -35.644 1.00 0.00 C ATOM 6 CG LYS A 267 8.248 -3.346 -35.402 1.00 0.00 C ATOM 7 CD LYS A 267 7.551 -4.319 -36.355 1.00 0.00 C ATOM 8 CE LYS A 267 6.035 -4.269 -36.132 1.00 0.00 C ATOM 9 NZ LYS A 267 5.626 -2.886 -35.755 1.00 0.00 N ATOM 0 HA LYS A 267 10.161 -2.796 -33.613 1.00 0.00 H new ATOM 0 HB2 LYS A 267 9.983 -3.044 -36.654 1.00 0.00 H new ATOM 0 HB3 LYS A 267 10.121 -4.412 -35.566 1.00 0.00 H new ATOM 0 HG2 LYS A 267 8.028 -3.612 -34.368 1.00 0.00 H new ATOM 0 HG3 LYS A 267 7.871 -2.335 -35.558 1.00 0.00 H new ATOM 0 HD2 LYS A 267 7.784 -4.061 -37.388 1.00 0.00 H new ATOM 0 HD3 LYS A 267 7.919 -5.331 -36.189 1.00 0.00 H new ATOM 0 HE2 LYS A 267 5.514 -4.578 -37.038 1.00 0.00 H new ATOM 0 HE3 LYS A 267 5.750 -4.969 -35.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 4.600 -2.780 -35.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 5.869 -2.711 -34.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 6.123 -2.200 -36.358 1.00 0.00 H new ATOM 23 N HIS A 268 12.542 -2.085 -35.792 1.00 0.00 N ATOM 24 CA HIS A 268 13.981 -2.180 -36.019 1.00 0.00 C ATOM 25 C HIS A 268 14.751 -1.619 -34.827 1.00 0.00 C ATOM 26 O HIS A 268 15.806 -2.137 -34.464 1.00 0.00 O ATOM 27 CB HIS A 268 14.361 -1.412 -37.285 1.00 0.00 C ATOM 28 CG HIS A 268 15.826 -1.601 -37.567 1.00 0.00 C ATOM 29 ND1 HIS A 268 16.359 -2.831 -37.919 1.00 0.00 N ATOM 30 CD2 HIS A 268 16.883 -0.724 -37.557 1.00 0.00 C ATOM 31 CE1 HIS A 268 17.681 -2.662 -38.104 1.00 0.00 C ATOM 32 NE2 HIS A 268 18.053 -1.396 -37.896 1.00 0.00 N ATOM 0 H HIS A 268 12.036 -1.543 -36.493 1.00 0.00 H new ATOM 0 HA HIS A 268 14.242 -3.231 -36.141 1.00 0.00 H new ATOM 0 HB2 HIS A 268 13.769 -1.766 -38.129 1.00 0.00 H new ATOM 0 HB3 HIS A 268 14.138 -0.352 -37.161 1.00 0.00 H new ATOM 0 HD2 HIS A 268 16.816 0.328 -37.322 1.00 0.00 H new ATOM 0 HE1 HIS A 268 18.359 -3.454 -38.386 1.00 0.00 H new ATOM 0 HE2 HIS A 268 18.993 -1.006 -37.970 1.00 0.00 H new ATOM 41 N GLN A 269 14.216 -0.557 -34.228 1.00 0.00 N ATOM 42 CA GLN A 269 14.858 0.074 -33.078 1.00 0.00 C ATOM 43 C GLN A 269 15.915 1.083 -33.549 1.00 0.00 C ATOM 44 O GLN A 269 16.799 0.731 -34.329 1.00 0.00 O ATOM 45 CB GLN A 269 15.520 -0.996 -32.199 1.00 0.00 C ATOM 46 CG GLN A 269 15.547 -0.533 -30.741 1.00 0.00 C ATOM 47 CD GLN A 269 16.075 -1.650 -29.847 1.00 0.00 C ATOM 48 OE1 GLN A 269 17.249 -2.011 -29.932 1.00 0.00 O ATOM 49 NE2 GLN A 269 15.275 -2.223 -28.991 1.00 0.00 N ATOM 0 H GLN A 269 13.343 -0.117 -34.519 1.00 0.00 H new ATOM 0 HA GLN A 269 14.100 0.600 -32.497 1.00 0.00 H new ATOM 0 HB2 GLN A 269 14.973 -1.935 -32.281 1.00 0.00 H new ATOM 0 HB3 GLN A 269 16.535 -1.187 -32.547 1.00 0.00 H new ATOM 0 HG2 GLN A 269 16.178 0.351 -30.643 1.00 0.00 H new ATOM 0 HG3 GLN A 269 14.545 -0.246 -30.424 1.00 0.00 H new ATOM 0 HE21 GLN A 269 14.303 -1.923 -28.922 1.00 0.00 H new ATOM 0 HE22 GLN A 269 15.622 -2.971 -28.391 1.00 0.00 H new ATOM 58 N PRO A 270 15.843 2.322 -33.112 1.00 0.00 N ATOM 59 CA PRO A 270 16.840 3.347 -33.554 1.00 0.00 C ATOM 60 C PRO A 270 18.272 2.943 -33.211 1.00 0.00 C ATOM 61 O PRO A 270 18.545 2.434 -32.124 1.00 0.00 O ATOM 62 CB PRO A 270 16.432 4.626 -32.815 1.00 0.00 C ATOM 63 CG PRO A 270 15.640 4.175 -31.637 1.00 0.00 C ATOM 64 CD PRO A 270 14.987 2.852 -32.030 1.00 0.00 C ATOM 0 HA PRO A 270 16.834 3.471 -34.637 1.00 0.00 H new ATOM 0 HB2 PRO A 270 17.308 5.195 -32.503 1.00 0.00 H new ATOM 0 HB3 PRO A 270 15.841 5.278 -33.458 1.00 0.00 H new ATOM 0 HG2 PRO A 270 16.282 4.046 -30.765 1.00 0.00 H new ATOM 0 HG3 PRO A 270 14.886 4.915 -31.371 1.00 0.00 H new ATOM 0 HD2 PRO A 270 14.944 2.164 -31.185 1.00 0.00 H new ATOM 0 HD3 PRO A 270 13.963 3.001 -32.372 1.00 0.00 H new ATOM 72 N GLY A 271 19.183 3.180 -34.152 1.00 0.00 N ATOM 73 CA GLY A 271 20.590 2.846 -33.956 1.00 0.00 C ATOM 74 C GLY A 271 21.481 4.007 -34.381 1.00 0.00 C ATOM 75 O GLY A 271 22.528 3.809 -34.997 1.00 0.00 O ATOM 0 H GLY A 271 18.972 3.602 -35.056 1.00 0.00 H new ATOM 0 HA2 GLY A 271 20.770 2.607 -32.908 1.00 0.00 H new ATOM 0 HA3 GLY A 271 20.842 1.957 -34.534 1.00 0.00 H new ATOM 79 N GLY A 272 21.051 5.221 -34.052 1.00 0.00 N ATOM 80 CA GLY A 272 21.806 6.419 -34.402 1.00 0.00 C ATOM 81 C GLY A 272 21.173 7.132 -35.593 1.00 0.00 C ATOM 82 O GLY A 272 21.311 8.346 -35.745 1.00 0.00 O ATOM 0 H GLY A 272 20.185 5.401 -33.544 1.00 0.00 H new ATOM 0 HA2 GLY A 272 21.843 7.094 -33.547 1.00 0.00 H new ATOM 0 HA3 GLY A 272 22.835 6.149 -34.639 1.00 0.00 H new ATOM 86 N GLY A 273 20.467 6.375 -36.427 1.00 0.00 N ATOM 87 CA GLY A 273 19.808 6.953 -37.593 1.00 0.00 C ATOM 88 C GLY A 273 18.814 8.026 -37.163 1.00 0.00 C ATOM 89 O GLY A 273 18.637 9.037 -37.843 1.00 0.00 O ATOM 0 H GLY A 273 20.337 5.369 -36.319 1.00 0.00 H new ATOM 0 HA2 GLY A 273 20.552 7.385 -38.263 1.00 0.00 H new ATOM 0 HA3 GLY A 273 19.291 6.172 -38.151 1.00 0.00 H new ATOM 93 N LYS A 274 18.175 7.794 -36.023 1.00 0.00 N ATOM 94 CA LYS A 274 17.202 8.739 -35.487 1.00 0.00 C ATOM 95 C LYS A 274 16.028 8.921 -36.446 1.00 0.00 C ATOM 96 O LYS A 274 15.491 10.020 -36.580 1.00 0.00 O ATOM 97 CB LYS A 274 17.870 10.091 -35.234 1.00 0.00 C ATOM 98 CG LYS A 274 17.036 10.893 -34.234 1.00 0.00 C ATOM 99 CD LYS A 274 17.487 12.355 -34.244 1.00 0.00 C ATOM 100 CE LYS A 274 18.866 12.468 -33.592 1.00 0.00 C ATOM 101 NZ LYS A 274 19.165 13.900 -33.306 1.00 0.00 N ATOM 0 H LYS A 274 18.313 6.960 -35.452 1.00 0.00 H new ATOM 0 HA LYS A 274 16.823 8.337 -34.548 1.00 0.00 H new ATOM 0 HB2 LYS A 274 18.878 9.944 -34.847 1.00 0.00 H new ATOM 0 HB3 LYS A 274 17.965 10.642 -36.169 1.00 0.00 H new ATOM 0 HG2 LYS A 274 15.979 10.826 -34.491 1.00 0.00 H new ATOM 0 HG3 LYS A 274 17.148 10.474 -33.234 1.00 0.00 H new ATOM 0 HD2 LYS A 274 17.525 12.728 -35.268 1.00 0.00 H new ATOM 0 HD3 LYS A 274 16.767 12.972 -33.707 1.00 0.00 H new ATOM 0 HE2 LYS A 274 18.892 11.889 -32.669 1.00 0.00 H new ATOM 0 HE3 LYS A 274 19.627 12.051 -34.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 20.103 13.977 -32.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 19.157 14.441 -34.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 18.445 14.283 -32.661 1.00 0.00 H new ATOM 115 N VAL A 275 15.621 7.837 -37.104 1.00 0.00 N ATOM 116 CA VAL A 275 14.493 7.898 -38.034 1.00 0.00 C ATOM 117 C VAL A 275 13.350 7.033 -37.509 1.00 0.00 C ATOM 118 O VAL A 275 12.305 6.903 -38.146 1.00 0.00 O ATOM 119 CB VAL A 275 14.925 7.421 -39.430 1.00 0.00 C ATOM 120 CG1 VAL A 275 14.199 8.233 -40.508 1.00 0.00 C ATOM 121 CG2 VAL A 275 16.435 7.616 -39.585 1.00 0.00 C ATOM 0 H VAL A 275 16.049 6.916 -37.013 1.00 0.00 H new ATOM 0 HA VAL A 275 14.152 8.930 -38.114 1.00 0.00 H new ATOM 0 HB VAL A 275 14.672 6.367 -39.543 1.00 0.00 H new ATOM 0 HG11 VAL A 275 14.511 7.889 -41.494 1.00 0.00 H new ATOM 0 HG12 VAL A 275 13.123 8.100 -40.401 1.00 0.00 H new ATOM 0 HG13 VAL A 275 14.447 9.289 -40.397 1.00 0.00 H new ATOM 0 HG21 VAL A 275 16.746 7.279 -40.574 1.00 0.00 H new ATOM 0 HG22 VAL A 275 16.679 8.672 -39.468 1.00 0.00 H new ATOM 0 HG23 VAL A 275 16.957 7.036 -38.824 1.00 0.00 H new ATOM 131 N GLN A 276 13.565 6.458 -36.328 1.00 0.00 N ATOM 132 CA GLN A 276 12.560 5.613 -35.687 1.00 0.00 C ATOM 133 C GLN A 276 12.016 6.328 -34.455 1.00 0.00 C ATOM 134 O GLN A 276 12.561 7.348 -34.034 1.00 0.00 O ATOM 135 CB GLN A 276 13.175 4.268 -35.266 1.00 0.00 C ATOM 136 CG GLN A 276 14.475 4.029 -36.028 1.00 0.00 C ATOM 137 CD GLN A 276 14.232 4.096 -37.530 1.00 0.00 C ATOM 138 OE1 GLN A 276 13.141 3.774 -38.001 1.00 0.00 O ATOM 139 NE2 GLN A 276 15.194 4.491 -38.314 1.00 0.00 N ATOM 0 H GLN A 276 14.428 6.562 -35.794 1.00 0.00 H new ATOM 0 HA GLN A 276 11.754 5.423 -36.396 1.00 0.00 H new ATOM 0 HB2 GLN A 276 13.367 4.266 -34.193 1.00 0.00 H new ATOM 0 HB3 GLN A 276 12.472 3.459 -35.466 1.00 0.00 H new ATOM 0 HG2 GLN A 276 15.215 4.775 -35.740 1.00 0.00 H new ATOM 0 HG3 GLN A 276 14.885 3.054 -35.763 1.00 0.00 H new ATOM 0 HE21 GLN A 276 16.096 4.757 -37.920 1.00 0.00 H new ATOM 0 HE22 GLN A 276 15.045 4.534 -39.322 1.00 0.00 H new ATOM 148 N ILE A 277 10.957 5.789 -33.868 1.00 0.00 N ATOM 149 CA ILE A 277 10.393 6.402 -32.678 1.00 0.00 C ATOM 150 C ILE A 277 11.381 6.225 -31.518 1.00 0.00 C ATOM 151 O ILE A 277 11.793 5.109 -31.203 1.00 0.00 O ATOM 152 CB ILE A 277 9.011 5.766 -32.371 1.00 0.00 C ATOM 153 CG1 ILE A 277 7.978 6.864 -32.068 1.00 0.00 C ATOM 154 CG2 ILE A 277 9.082 4.801 -31.179 1.00 0.00 C ATOM 155 CD1 ILE A 277 8.544 7.863 -31.050 1.00 0.00 C ATOM 0 H ILE A 277 10.480 4.946 -34.189 1.00 0.00 H new ATOM 0 HA ILE A 277 10.233 7.469 -32.830 1.00 0.00 H new ATOM 0 HB ILE A 277 8.709 5.202 -33.254 1.00 0.00 H new ATOM 0 HG12 ILE A 277 7.710 7.384 -32.988 1.00 0.00 H new ATOM 0 HG13 ILE A 277 7.064 6.415 -31.678 1.00 0.00 H new ATOM 0 HG21 ILE A 277 8.095 4.376 -30.995 1.00 0.00 H new ATOM 0 HG22 ILE A 277 9.786 3.999 -31.401 1.00 0.00 H new ATOM 0 HG23 ILE A 277 9.415 5.341 -30.293 1.00 0.00 H new ATOM 0 HD11 ILE A 277 7.801 8.634 -30.846 1.00 0.00 H new ATOM 0 HD12 ILE A 277 8.789 7.341 -30.125 1.00 0.00 H new ATOM 0 HD13 ILE A 277 9.444 8.325 -31.455 1.00 0.00 H new ATOM 167 N ILE A 278 11.776 7.339 -30.913 1.00 0.00 N ATOM 168 CA ILE A 278 12.740 7.310 -29.814 1.00 0.00 C ATOM 169 C ILE A 278 12.200 6.532 -28.617 1.00 0.00 C ATOM 170 O ILE A 278 12.970 6.003 -27.815 1.00 0.00 O ATOM 171 CB ILE A 278 13.088 8.739 -29.398 1.00 0.00 C ATOM 172 CG1 ILE A 278 13.671 9.496 -30.603 1.00 0.00 C ATOM 173 CG2 ILE A 278 14.111 8.712 -28.261 1.00 0.00 C ATOM 174 CD1 ILE A 278 14.885 8.750 -31.169 1.00 0.00 C ATOM 0 H ILE A 278 11.446 8.272 -31.162 1.00 0.00 H new ATOM 0 HA ILE A 278 13.639 6.801 -30.163 1.00 0.00 H new ATOM 0 HB ILE A 278 12.186 9.245 -29.054 1.00 0.00 H new ATOM 0 HG12 ILE A 278 12.910 9.603 -31.376 1.00 0.00 H new ATOM 0 HG13 ILE A 278 13.963 10.502 -30.302 1.00 0.00 H new ATOM 0 HG21 ILE A 278 14.356 9.733 -27.968 1.00 0.00 H new ATOM 0 HG22 ILE A 278 13.692 8.180 -27.407 1.00 0.00 H new ATOM 0 HG23 ILE A 278 15.015 8.204 -28.597 1.00 0.00 H new ATOM 0 HD11 ILE A 278 15.285 9.300 -32.021 1.00 0.00 H new ATOM 0 HD12 ILE A 278 15.652 8.666 -30.399 1.00 0.00 H new ATOM 0 HD13 ILE A 278 14.582 7.753 -31.490 1.00 0.00 H new ATOM 186 N ASN A 279 10.881 6.457 -28.501 1.00 0.00 N ATOM 187 CA ASN A 279 10.261 5.732 -27.396 1.00 0.00 C ATOM 188 C ASN A 279 10.532 4.231 -27.510 1.00 0.00 C ATOM 189 O ASN A 279 9.778 3.413 -26.983 1.00 0.00 O ATOM 190 CB ASN A 279 8.754 5.990 -27.366 1.00 0.00 C ATOM 191 CG ASN A 279 8.486 7.468 -27.102 1.00 0.00 C ATOM 192 OD1 ASN A 279 9.390 8.201 -26.701 1.00 0.00 O ATOM 193 ND2 ASN A 279 7.291 7.950 -27.298 1.00 0.00 N ATOM 0 H ASN A 279 10.223 6.885 -29.152 1.00 0.00 H new ATOM 0 HA ASN A 279 10.700 6.094 -26.466 1.00 0.00 H new ATOM 0 HB2 ASN A 279 8.307 5.694 -28.315 1.00 0.00 H new ATOM 0 HB3 ASN A 279 8.288 5.383 -26.590 1.00 0.00 H new ATOM 0 HD21 ASN A 279 7.103 8.936 -27.119 1.00 0.00 H new ATOM 0 HD22 ASN A 279 6.544 7.341 -27.630 1.00 0.00 H new ATOM 200 N LYS A 280 11.607 3.885 -28.215 1.00 0.00 N ATOM 201 CA LYS A 280 11.990 2.491 -28.418 1.00 0.00 C ATOM 202 C LYS A 280 11.759 1.650 -27.164 1.00 0.00 C ATOM 203 O LYS A 280 11.757 0.420 -27.231 1.00 0.00 O ATOM 204 CB LYS A 280 13.471 2.424 -28.808 1.00 0.00 C ATOM 205 CG LYS A 280 14.345 2.512 -27.547 1.00 0.00 C ATOM 206 CD LYS A 280 15.690 3.154 -27.889 1.00 0.00 C ATOM 207 CE LYS A 280 15.551 4.677 -27.850 1.00 0.00 C ATOM 208 NZ LYS A 280 16.894 5.302 -28.014 1.00 0.00 N ATOM 0 H LYS A 280 12.232 4.558 -28.658 1.00 0.00 H new ATOM 0 HA LYS A 280 11.367 2.084 -29.214 1.00 0.00 H new ATOM 0 HB2 LYS A 280 13.675 1.494 -29.339 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.715 3.240 -29.488 1.00 0.00 H new ATOM 0 HG2 LYS A 280 13.836 3.099 -26.782 1.00 0.00 H new ATOM 0 HG3 LYS A 280 14.502 1.516 -27.133 1.00 0.00 H new ATOM 0 HD2 LYS A 280 16.451 2.829 -27.180 1.00 0.00 H new ATOM 0 HD3 LYS A 280 16.018 2.833 -28.878 1.00 0.00 H new ATOM 0 HE2 LYS A 280 14.883 5.012 -28.643 1.00 0.00 H new ATOM 0 HE3 LYS A 280 15.106 4.988 -26.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 16.801 6.337 -27.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 17.518 4.991 -27.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 17.302 5.014 -28.927 1.00 0.00 H new ATOM 222 N LYS A 281 11.576 2.303 -26.022 1.00 0.00 N ATOM 223 CA LYS A 281 11.361 1.570 -24.783 1.00 0.00 C ATOM 224 C LYS A 281 10.305 0.497 -25.007 1.00 0.00 C ATOM 225 O LYS A 281 10.412 -0.614 -24.487 1.00 0.00 O ATOM 226 CB LYS A 281 10.897 2.516 -23.673 1.00 0.00 C ATOM 227 CG LYS A 281 12.046 3.446 -23.261 1.00 0.00 C ATOM 228 CD LYS A 281 12.201 4.583 -24.279 1.00 0.00 C ATOM 229 CE LYS A 281 12.983 5.739 -23.650 1.00 0.00 C ATOM 230 NZ LYS A 281 13.770 6.436 -24.707 1.00 0.00 N ATOM 0 H LYS A 281 11.572 3.319 -25.929 1.00 0.00 H new ATOM 0 HA LYS A 281 12.301 1.109 -24.481 1.00 0.00 H new ATOM 0 HB2 LYS A 281 10.047 3.105 -24.018 1.00 0.00 H new ATOM 0 HB3 LYS A 281 10.557 1.940 -22.812 1.00 0.00 H new ATOM 0 HG2 LYS A 281 11.852 3.859 -22.271 1.00 0.00 H new ATOM 0 HG3 LYS A 281 12.975 2.880 -23.194 1.00 0.00 H new ATOM 0 HD2 LYS A 281 12.720 4.221 -25.166 1.00 0.00 H new ATOM 0 HD3 LYS A 281 11.220 4.929 -24.603 1.00 0.00 H new ATOM 0 HE2 LYS A 281 12.298 6.438 -23.171 1.00 0.00 H new ATOM 0 HE3 LYS A 281 13.649 5.362 -22.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 13.721 7.464 -24.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 14.762 6.127 -24.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 13.377 6.205 -25.642 1.00 0.00 H new ATOM 244 N LEU A 282 9.299 0.830 -25.807 1.00 0.00 N ATOM 245 CA LEU A 282 8.240 -0.122 -26.119 1.00 0.00 C ATOM 246 C LEU A 282 8.774 -1.216 -27.038 1.00 0.00 C ATOM 247 O LEU A 282 8.361 -2.373 -26.952 1.00 0.00 O ATOM 248 CB LEU A 282 7.068 0.594 -26.794 1.00 0.00 C ATOM 249 CG LEU A 282 6.315 1.437 -25.760 1.00 0.00 C ATOM 250 CD1 LEU A 282 7.157 2.651 -25.364 1.00 0.00 C ATOM 251 CD2 LEU A 282 4.990 1.913 -26.361 1.00 0.00 C ATOM 0 H LEU A 282 9.194 1.744 -26.248 1.00 0.00 H new ATOM 0 HA LEU A 282 7.892 -0.574 -25.190 1.00 0.00 H new ATOM 0 HB2 LEU A 282 7.433 1.230 -27.600 1.00 0.00 H new ATOM 0 HB3 LEU A 282 6.394 -0.135 -27.244 1.00 0.00 H new ATOM 0 HG LEU A 282 6.122 0.830 -24.875 1.00 0.00 H new ATOM 0 HD11 LEU A 282 6.615 3.245 -24.629 1.00 0.00 H new ATOM 0 HD12 LEU A 282 8.101 2.315 -24.934 1.00 0.00 H new ATOM 0 HD13 LEU A 282 7.356 3.259 -26.246 1.00 0.00 H new ATOM 0 HD21 LEU A 282 4.452 2.513 -25.627 1.00 0.00 H new ATOM 0 HD22 LEU A 282 5.188 2.516 -27.247 1.00 0.00 H new ATOM 0 HD23 LEU A 282 4.385 1.050 -26.637 1.00 0.00 H new ATOM 263 N ASP A 283 9.697 -0.835 -27.920 1.00 0.00 N ATOM 264 CA ASP A 283 10.288 -1.782 -28.860 1.00 0.00 C ATOM 265 C ASP A 283 11.549 -2.414 -28.277 1.00 0.00 C ATOM 266 O ASP A 283 12.454 -1.713 -27.823 1.00 0.00 O ATOM 267 CB ASP A 283 10.636 -1.069 -30.169 1.00 0.00 C ATOM 268 CG ASP A 283 9.360 -0.622 -30.874 1.00 0.00 C ATOM 269 OD1 ASP A 283 8.298 -1.068 -30.474 1.00 0.00 O ATOM 270 OD2 ASP A 283 9.465 0.158 -31.807 1.00 0.00 O ATOM 0 H ASP A 283 10.049 0.119 -28.002 1.00 0.00 H new ATOM 0 HA ASP A 283 9.559 -2.569 -29.052 1.00 0.00 H new ATOM 0 HB2 ASP A 283 11.270 -0.206 -29.965 1.00 0.00 H new ATOM 0 HB3 ASP A 283 11.204 -1.737 -30.817 1.00 0.00 H new ATOM 275 N LEU A 284 11.606 -3.741 -28.311 1.00 0.00 N ATOM 276 CA LEU A 284 12.764 -4.468 -27.803 1.00 0.00 C ATOM 277 C LEU A 284 13.623 -4.936 -28.971 1.00 0.00 C ATOM 278 O LEU A 284 14.612 -5.646 -28.784 1.00 0.00 O ATOM 279 CB LEU A 284 12.292 -5.675 -26.963 1.00 0.00 C ATOM 280 CG LEU A 284 12.847 -5.588 -25.536 1.00 0.00 C ATOM 281 CD1 LEU A 284 12.053 -6.526 -24.627 1.00 0.00 C ATOM 282 CD2 LEU A 284 14.320 -6.002 -25.543 1.00 0.00 C ATOM 0 H LEU A 284 10.865 -4.334 -28.684 1.00 0.00 H new ATOM 0 HA LEU A 284 13.359 -3.812 -27.168 1.00 0.00 H new ATOM 0 HB2 LEU A 284 11.203 -5.702 -26.935 1.00 0.00 H new ATOM 0 HB3 LEU A 284 12.621 -6.602 -27.431 1.00 0.00 H new ATOM 0 HG LEU A 284 12.759 -4.566 -25.166 1.00 0.00 H new ATOM 0 HD11 LEU A 284 12.445 -6.467 -23.612 1.00 0.00 H new ATOM 0 HD12 LEU A 284 11.003 -6.232 -24.629 1.00 0.00 H new ATOM 0 HD13 LEU A 284 12.144 -7.549 -24.992 1.00 0.00 H new ATOM 0 HD21 LEU A 284 14.720 -5.942 -24.531 1.00 0.00 H new ATOM 0 HD22 LEU A 284 14.409 -7.025 -25.908 1.00 0.00 H new ATOM 0 HD23 LEU A 284 14.883 -5.334 -26.195 1.00 0.00 H new ATOM 294 N SER A 285 13.224 -4.538 -30.173 1.00 0.00 N ATOM 295 CA SER A 285 13.942 -4.921 -31.380 1.00 0.00 C ATOM 296 C SER A 285 13.424 -6.262 -31.880 1.00 0.00 C ATOM 297 O SER A 285 12.499 -6.832 -31.304 1.00 0.00 O ATOM 298 CB SER A 285 15.446 -5.013 -31.102 1.00 0.00 C ATOM 299 OG SER A 285 16.160 -4.707 -32.293 1.00 0.00 O ATOM 0 H SER A 285 12.407 -3.950 -30.337 1.00 0.00 H new ATOM 0 HA SER A 285 13.776 -4.162 -32.144 1.00 0.00 H new ATOM 0 HB2 SER A 285 15.725 -4.320 -30.308 1.00 0.00 H new ATOM 0 HB3 SER A 285 15.704 -6.014 -30.756 1.00 0.00 H new ATOM 0 HG SER A 285 17.123 -4.763 -32.120 1.00 0.00 H new ATOM 305 N ASN A 286 14.025 -6.764 -32.947 1.00 0.00 N ATOM 306 CA ASN A 286 13.610 -8.044 -33.503 1.00 0.00 C ATOM 307 C ASN A 286 13.517 -9.097 -32.402 1.00 0.00 C ATOM 308 O ASN A 286 12.787 -10.081 -32.530 1.00 0.00 O ATOM 309 CB ASN A 286 14.610 -8.503 -34.568 1.00 0.00 C ATOM 310 CG ASN A 286 14.073 -9.732 -35.296 1.00 0.00 C ATOM 311 OD1 ASN A 286 12.786 -9.940 -35.352 1.00 0.00 O flip ATOM 312 ND2 ASN A 286 14.849 -10.525 -35.830 1.00 0.00 N flip ATOM 0 H ASN A 286 14.794 -6.311 -33.442 1.00 0.00 H new ATOM 0 HA ASN A 286 12.628 -7.920 -33.960 1.00 0.00 H new ATOM 0 HB2 ASN A 286 14.789 -7.698 -35.281 1.00 0.00 H new ATOM 0 HB3 ASN A 286 15.568 -8.736 -34.103 1.00 0.00 H new ATOM 0 HD21 ASN A 286 15.855 -10.362 -35.786 1.00 0.00 H new ATOM 0 HD22 ASN A 286 14.486 -11.345 -36.316 1.00 0.00 H new ATOM 319 N VAL A 287 14.265 -8.886 -31.323 1.00 0.00 N ATOM 320 CA VAL A 287 14.264 -9.826 -30.208 1.00 0.00 C ATOM 321 C VAL A 287 12.868 -9.966 -29.609 1.00 0.00 C ATOM 322 O VAL A 287 12.477 -11.048 -29.172 1.00 0.00 O ATOM 323 CB VAL A 287 15.235 -9.350 -29.126 1.00 0.00 C ATOM 324 CG1 VAL A 287 15.092 -10.234 -27.887 1.00 0.00 C ATOM 325 CG2 VAL A 287 16.670 -9.441 -29.654 1.00 0.00 C ATOM 0 H VAL A 287 14.875 -8.078 -31.198 1.00 0.00 H new ATOM 0 HA VAL A 287 14.579 -10.799 -30.586 1.00 0.00 H new ATOM 0 HB VAL A 287 15.008 -8.317 -28.863 1.00 0.00 H new ATOM 0 HG11 VAL A 287 15.784 -9.895 -27.116 1.00 0.00 H new ATOM 0 HG12 VAL A 287 14.071 -10.171 -27.511 1.00 0.00 H new ATOM 0 HG13 VAL A 287 15.319 -11.267 -28.149 1.00 0.00 H new ATOM 0 HG21 VAL A 287 17.363 -9.102 -28.884 1.00 0.00 H new ATOM 0 HG22 VAL A 287 16.896 -10.474 -29.917 1.00 0.00 H new ATOM 0 HG23 VAL A 287 16.773 -8.811 -30.538 1.00 0.00 H new ATOM 335 N GLN A 288 12.126 -8.864 -29.581 1.00 0.00 N ATOM 336 CA GLN A 288 10.779 -8.876 -29.018 1.00 0.00 C ATOM 337 C GLN A 288 9.891 -9.888 -29.736 1.00 0.00 C ATOM 338 O GLN A 288 9.044 -10.529 -29.115 1.00 0.00 O ATOM 339 CB GLN A 288 10.159 -7.478 -29.119 1.00 0.00 C ATOM 340 CG GLN A 288 9.595 -7.254 -30.525 1.00 0.00 C ATOM 341 CD GLN A 288 9.255 -5.781 -30.714 1.00 0.00 C ATOM 342 OE1 GLN A 288 10.207 -4.891 -30.662 1.00 0.00 O flip ATOM 343 NE2 GLN A 288 8.091 -5.432 -30.915 1.00 0.00 N flip ATOM 0 H GLN A 288 12.430 -7.958 -29.938 1.00 0.00 H new ATOM 0 HA GLN A 288 10.852 -9.168 -27.970 1.00 0.00 H new ATOM 0 HB2 GLN A 288 9.366 -7.369 -28.379 1.00 0.00 H new ATOM 0 HB3 GLN A 288 10.911 -6.721 -28.895 1.00 0.00 H new ATOM 0 HG2 GLN A 288 10.323 -7.568 -31.273 1.00 0.00 H new ATOM 0 HG3 GLN A 288 8.704 -7.864 -30.671 1.00 0.00 H new ATOM 0 HE21 GLN A 288 7.349 -6.131 -30.955 1.00 0.00 H new ATOM 0 HE22 GLN A 288 7.869 -4.444 -31.041 1.00 0.00 H new ATOM 352 N SER A 289 10.081 -10.015 -31.047 1.00 0.00 N ATOM 353 CA SER A 289 9.279 -10.940 -31.844 1.00 0.00 C ATOM 354 C SER A 289 7.799 -10.571 -31.755 1.00 0.00 C ATOM 355 O SER A 289 7.202 -10.117 -32.731 1.00 0.00 O ATOM 356 CB SER A 289 9.482 -12.374 -31.351 1.00 0.00 C ATOM 357 OG SER A 289 8.260 -13.090 -31.475 1.00 0.00 O ATOM 0 H SER A 289 10.779 -9.493 -31.577 1.00 0.00 H new ATOM 0 HA SER A 289 9.601 -10.870 -32.883 1.00 0.00 H new ATOM 0 HB2 SER A 289 10.264 -12.863 -31.932 1.00 0.00 H new ATOM 0 HB3 SER A 289 9.811 -12.371 -30.312 1.00 0.00 H new ATOM 0 HG SER A 289 8.387 -14.010 -31.162 1.00 0.00 H new ATOM 363 N LYS A 290 7.219 -10.764 -30.577 1.00 0.00 N ATOM 364 CA LYS A 290 5.812 -10.447 -30.356 1.00 0.00 C ATOM 365 C LYS A 290 5.615 -8.940 -30.226 1.00 0.00 C ATOM 366 O LYS A 290 6.566 -8.200 -29.980 1.00 0.00 O ATOM 367 CB LYS A 290 5.331 -11.133 -29.080 1.00 0.00 C ATOM 368 CG LYS A 290 5.423 -12.648 -29.255 1.00 0.00 C ATOM 369 CD LYS A 290 4.913 -13.331 -27.989 1.00 0.00 C ATOM 370 CE LYS A 290 5.076 -14.847 -28.125 1.00 0.00 C ATOM 371 NZ LYS A 290 4.303 -15.529 -27.048 1.00 0.00 N ATOM 0 H LYS A 290 7.700 -11.138 -29.759 1.00 0.00 H new ATOM 0 HA LYS A 290 5.235 -10.803 -31.210 1.00 0.00 H new ATOM 0 HB2 LYS A 290 5.938 -10.816 -28.232 1.00 0.00 H new ATOM 0 HB3 LYS A 290 4.303 -10.842 -28.863 1.00 0.00 H new ATOM 0 HG2 LYS A 290 4.833 -12.963 -30.116 1.00 0.00 H new ATOM 0 HG3 LYS A 290 6.454 -12.942 -29.451 1.00 0.00 H new ATOM 0 HD2 LYS A 290 5.466 -12.972 -27.121 1.00 0.00 H new ATOM 0 HD3 LYS A 290 3.865 -13.081 -27.825 1.00 0.00 H new ATOM 0 HE2 LYS A 290 4.724 -15.175 -29.103 1.00 0.00 H new ATOM 0 HE3 LYS A 290 6.130 -15.118 -28.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 4.414 -16.559 -27.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 4.659 -15.224 -26.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 3.297 -15.280 -27.132 1.00 0.00 H new ATOM 385 N CYS A 291 4.377 -8.488 -30.392 1.00 0.00 N ATOM 386 CA CYS A 291 4.081 -7.063 -30.292 1.00 0.00 C ATOM 387 C CYS A 291 4.653 -6.487 -29.002 1.00 0.00 C ATOM 388 O CYS A 291 5.120 -5.348 -28.971 1.00 0.00 O ATOM 389 CB CYS A 291 2.569 -6.842 -30.311 1.00 0.00 C ATOM 390 SG CYS A 291 1.898 -7.369 -31.907 1.00 0.00 S ATOM 0 H CYS A 291 3.571 -9.079 -30.594 1.00 0.00 H new ATOM 0 HA CYS A 291 4.538 -6.558 -31.143 1.00 0.00 H new ATOM 0 HB2 CYS A 291 2.099 -7.404 -29.504 1.00 0.00 H new ATOM 0 HB3 CYS A 291 2.343 -5.790 -30.140 1.00 0.00 H new ATOM 0 HG CYS A 291 0.612 -7.182 -31.920 1.00 0.00 H new ATOM 396 N GLY A 292 4.617 -7.282 -27.937 1.00 0.00 N ATOM 397 CA GLY A 292 5.138 -6.840 -26.652 1.00 0.00 C ATOM 398 C GLY A 292 6.601 -7.243 -26.492 1.00 0.00 C ATOM 399 O GLY A 292 7.250 -7.664 -27.448 1.00 0.00 O ATOM 0 H GLY A 292 4.235 -8.228 -27.939 1.00 0.00 H new ATOM 0 HA2 GLY A 292 5.043 -5.757 -26.569 1.00 0.00 H new ATOM 0 HA3 GLY A 292 4.546 -7.274 -25.846 1.00 0.00 H new ATOM 403 N SER A 293 7.106 -7.118 -25.270 1.00 0.00 N ATOM 404 CA SER A 293 8.489 -7.478 -24.974 1.00 0.00 C ATOM 405 C SER A 293 8.709 -8.969 -25.231 1.00 0.00 C ATOM 406 O SER A 293 8.164 -9.522 -26.186 1.00 0.00 O ATOM 407 CB SER A 293 8.803 -7.132 -23.517 1.00 0.00 C ATOM 408 OG SER A 293 10.060 -7.685 -23.152 1.00 0.00 O ATOM 0 H SER A 293 6.580 -6.770 -24.468 1.00 0.00 H new ATOM 0 HA SER A 293 9.159 -6.916 -25.625 1.00 0.00 H new ATOM 0 HB2 SER A 293 8.819 -6.050 -23.386 1.00 0.00 H new ATOM 0 HB3 SER A 293 8.021 -7.520 -22.865 1.00 0.00 H new ATOM 0 HG SER A 293 10.258 -7.460 -22.219 1.00 0.00 H new ATOM 414 N LYS A 294 9.502 -9.621 -24.383 1.00 0.00 N ATOM 415 CA LYS A 294 9.761 -11.046 -24.557 1.00 0.00 C ATOM 416 C LYS A 294 8.438 -11.791 -24.647 1.00 0.00 C ATOM 417 O LYS A 294 8.325 -12.814 -25.322 1.00 0.00 O ATOM 418 CB LYS A 294 10.577 -11.583 -23.376 1.00 0.00 C ATOM 419 CG LYS A 294 11.872 -10.777 -23.224 1.00 0.00 C ATOM 420 CD LYS A 294 12.767 -10.985 -24.450 1.00 0.00 C ATOM 421 CE LYS A 294 14.197 -10.556 -24.115 1.00 0.00 C ATOM 422 NZ LYS A 294 14.170 -9.543 -23.024 1.00 0.00 N ATOM 0 H LYS A 294 9.968 -9.194 -23.583 1.00 0.00 H new ATOM 0 HA LYS A 294 10.330 -11.197 -25.474 1.00 0.00 H new ATOM 0 HB2 LYS A 294 9.990 -11.520 -22.460 1.00 0.00 H new ATOM 0 HB3 LYS A 294 10.811 -12.636 -23.534 1.00 0.00 H new ATOM 0 HG2 LYS A 294 11.639 -9.718 -23.109 1.00 0.00 H new ATOM 0 HG3 LYS A 294 12.399 -11.087 -22.322 1.00 0.00 H new ATOM 0 HD2 LYS A 294 12.751 -12.032 -24.752 1.00 0.00 H new ATOM 0 HD3 LYS A 294 12.389 -10.405 -25.292 1.00 0.00 H new ATOM 0 HE2 LYS A 294 14.785 -11.421 -23.808 1.00 0.00 H new ATOM 0 HE3 LYS A 294 14.680 -10.140 -24.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 15.076 -9.033 -23.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 13.397 -8.869 -23.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 14.018 -10.019 -22.112 1.00 0.00 H new ATOM 436 N ASP A 295 7.440 -11.247 -23.972 1.00 0.00 N ATOM 437 CA ASP A 295 6.106 -11.822 -23.973 1.00 0.00 C ATOM 438 C ASP A 295 5.121 -10.763 -23.503 1.00 0.00 C ATOM 439 O ASP A 295 5.023 -9.689 -24.096 1.00 0.00 O ATOM 440 CB ASP A 295 6.045 -13.041 -23.049 1.00 0.00 C ATOM 441 CG ASP A 295 4.724 -13.776 -23.245 1.00 0.00 C ATOM 442 OD1 ASP A 295 3.970 -13.375 -24.117 1.00 0.00 O ATOM 443 OD2 ASP A 295 4.485 -14.729 -22.522 1.00 0.00 O ATOM 0 H ASP A 295 7.530 -10.400 -23.411 1.00 0.00 H new ATOM 0 HA ASP A 295 5.851 -12.149 -24.981 1.00 0.00 H new ATOM 0 HB2 ASP A 295 6.879 -13.711 -23.261 1.00 0.00 H new ATOM 0 HB3 ASP A 295 6.145 -12.726 -22.010 1.00 0.00 H new ATOM 448 N ASN A 296 4.413 -11.055 -22.424 1.00 0.00 N ATOM 449 CA ASN A 296 3.466 -10.098 -21.880 1.00 0.00 C ATOM 450 C ASN A 296 4.194 -9.096 -20.986 1.00 0.00 C ATOM 451 O ASN A 296 3.579 -8.197 -20.419 1.00 0.00 O ATOM 452 CB ASN A 296 2.391 -10.828 -21.071 1.00 0.00 C ATOM 453 CG ASN A 296 3.017 -11.500 -19.852 1.00 0.00 C ATOM 454 OD1 ASN A 296 4.029 -11.030 -19.332 1.00 0.00 O ATOM 455 ND2 ASN A 296 2.474 -12.581 -19.364 1.00 0.00 N ATOM 0 H ASN A 296 4.475 -11.936 -21.913 1.00 0.00 H new ATOM 0 HA ASN A 296 2.991 -9.564 -22.703 1.00 0.00 H new ATOM 0 HB2 ASN A 296 1.623 -10.123 -20.753 1.00 0.00 H new ATOM 0 HB3 ASN A 296 1.900 -11.574 -21.695 1.00 0.00 H new ATOM 0 HD21 ASN A 296 2.888 -13.037 -18.551 1.00 0.00 H new ATOM 0 HD22 ASN A 296 1.635 -12.970 -19.795 1.00 0.00 H new ATOM 462 N ILE A 297 5.512 -9.262 -20.864 1.00 0.00 N ATOM 463 CA ILE A 297 6.315 -8.373 -20.028 1.00 0.00 C ATOM 464 C ILE A 297 6.203 -6.925 -20.496 1.00 0.00 C ATOM 465 O ILE A 297 6.490 -6.000 -19.737 1.00 0.00 O ATOM 466 CB ILE A 297 7.782 -8.804 -20.036 1.00 0.00 C ATOM 467 CG1 ILE A 297 7.923 -10.189 -19.396 1.00 0.00 C ATOM 468 CG2 ILE A 297 8.613 -7.796 -19.242 1.00 0.00 C ATOM 469 CD1 ILE A 297 7.282 -11.248 -20.295 1.00 0.00 C ATOM 0 H ILE A 297 6.041 -9.999 -21.330 1.00 0.00 H new ATOM 0 HA ILE A 297 5.928 -8.440 -19.011 1.00 0.00 H new ATOM 0 HB ILE A 297 8.136 -8.845 -21.066 1.00 0.00 H new ATOM 0 HG12 ILE A 297 8.977 -10.421 -19.240 1.00 0.00 H new ATOM 0 HG13 ILE A 297 7.447 -10.196 -18.415 1.00 0.00 H new ATOM 0 HG21 ILE A 297 9.659 -8.102 -19.247 1.00 0.00 H new ATOM 0 HG22 ILE A 297 8.522 -6.810 -19.698 1.00 0.00 H new ATOM 0 HG23 ILE A 297 8.252 -7.756 -18.214 1.00 0.00 H new ATOM 0 HD11 ILE A 297 7.387 -12.230 -19.833 1.00 0.00 H new ATOM 0 HD12 ILE A 297 6.224 -11.021 -20.428 1.00 0.00 H new ATOM 0 HD13 ILE A 297 7.778 -11.250 -21.266 1.00 0.00 H new ATOM 481 N LYS A 298 5.780 -6.727 -21.744 1.00 0.00 N ATOM 482 CA LYS A 298 5.637 -5.373 -22.274 1.00 0.00 C ATOM 483 C LYS A 298 5.030 -4.476 -21.210 1.00 0.00 C ATOM 484 O LYS A 298 5.162 -3.253 -21.247 1.00 0.00 O ATOM 485 CB LYS A 298 4.717 -5.387 -23.496 1.00 0.00 C ATOM 486 CG LYS A 298 3.648 -6.465 -23.311 1.00 0.00 C ATOM 487 CD LYS A 298 2.439 -6.150 -24.193 1.00 0.00 C ATOM 488 CE LYS A 298 1.435 -7.302 -24.114 1.00 0.00 C ATOM 489 NZ LYS A 298 1.901 -8.428 -24.972 1.00 0.00 N ATOM 0 H LYS A 298 5.535 -7.472 -22.396 1.00 0.00 H new ATOM 0 HA LYS A 298 6.619 -4.998 -22.562 1.00 0.00 H new ATOM 0 HB2 LYS A 298 4.248 -4.411 -23.624 1.00 0.00 H new ATOM 0 HB3 LYS A 298 5.295 -5.583 -24.399 1.00 0.00 H new ATOM 0 HG2 LYS A 298 4.055 -7.442 -23.571 1.00 0.00 H new ATOM 0 HG3 LYS A 298 3.344 -6.514 -22.265 1.00 0.00 H new ATOM 0 HD2 LYS A 298 1.970 -5.222 -23.867 1.00 0.00 H new ATOM 0 HD3 LYS A 298 2.757 -6.001 -25.225 1.00 0.00 H new ATOM 0 HE2 LYS A 298 1.330 -7.637 -23.082 1.00 0.00 H new ATOM 0 HE3 LYS A 298 0.452 -6.964 -24.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 1.643 -9.332 -24.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 1.451 -8.361 -25.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 2.934 -8.377 -25.080 1.00 0.00 H new ATOM 503 N HIS A 299 4.366 -5.112 -20.260 1.00 0.00 N ATOM 504 CA HIS A 299 3.729 -4.407 -19.167 1.00 0.00 C ATOM 505 C HIS A 299 4.720 -4.185 -18.037 1.00 0.00 C ATOM 506 O HIS A 299 5.929 -4.320 -18.217 1.00 0.00 O ATOM 507 CB HIS A 299 2.558 -5.244 -18.651 1.00 0.00 C ATOM 508 CG HIS A 299 3.085 -6.456 -17.933 1.00 0.00 C ATOM 509 ND1 HIS A 299 4.055 -6.375 -16.947 1.00 0.00 N ATOM 510 CD2 HIS A 299 2.794 -7.785 -18.054 1.00 0.00 C ATOM 511 CE1 HIS A 299 4.311 -7.614 -16.524 1.00 0.00 C ATOM 512 NE2 HIS A 299 3.571 -8.520 -17.165 1.00 0.00 N ATOM 0 H HIS A 299 4.255 -6.125 -20.226 1.00 0.00 H new ATOM 0 HA HIS A 299 3.374 -3.440 -19.523 1.00 0.00 H new ATOM 0 HB2 HIS A 299 1.941 -4.649 -17.978 1.00 0.00 H new ATOM 0 HB3 HIS A 299 1.921 -5.549 -19.482 1.00 0.00 H new ATOM 0 HD2 HIS A 299 2.069 -8.202 -18.737 1.00 0.00 H new ATOM 0 HE1 HIS A 299 5.031 -7.855 -15.755 1.00 0.00 H new ATOM 0 HE2 HIS A 299 3.574 -9.531 -17.032 1.00 0.00 H new ATOM 521 N VAL A 300 4.180 -3.877 -16.868 1.00 0.00 N ATOM 522 CA VAL A 300 4.984 -3.667 -15.674 1.00 0.00 C ATOM 523 C VAL A 300 4.088 -3.147 -14.560 1.00 0.00 C ATOM 524 O VAL A 300 4.116 -1.963 -14.240 1.00 0.00 O ATOM 525 CB VAL A 300 6.109 -2.670 -15.948 1.00 0.00 C ATOM 526 CG1 VAL A 300 5.552 -1.481 -16.734 1.00 0.00 C ATOM 527 CG2 VAL A 300 6.713 -2.186 -14.618 1.00 0.00 C ATOM 0 H VAL A 300 3.177 -3.766 -16.720 1.00 0.00 H new ATOM 0 HA VAL A 300 5.435 -4.613 -15.376 1.00 0.00 H new ATOM 0 HB VAL A 300 6.890 -3.155 -16.533 1.00 0.00 H new ATOM 0 HG11 VAL A 300 6.353 -0.768 -16.931 1.00 0.00 H new ATOM 0 HG12 VAL A 300 5.138 -1.832 -17.679 1.00 0.00 H new ATOM 0 HG13 VAL A 300 4.768 -0.995 -16.152 1.00 0.00 H new ATOM 0 HG21 VAL A 300 7.515 -1.475 -14.820 1.00 0.00 H new ATOM 0 HG22 VAL A 300 5.940 -1.701 -14.022 1.00 0.00 H new ATOM 0 HG23 VAL A 300 7.113 -3.038 -14.069 1.00 0.00 H new ATOM 537 N PRO A 301 3.280 -4.004 -13.986 1.00 0.00 N ATOM 538 CA PRO A 301 2.345 -3.591 -12.910 1.00 0.00 C ATOM 539 C PRO A 301 2.879 -2.446 -12.057 1.00 0.00 C ATOM 540 O PRO A 301 2.106 -1.646 -11.531 1.00 0.00 O ATOM 541 CB PRO A 301 2.174 -4.874 -12.116 1.00 0.00 C ATOM 542 CG PRO A 301 2.179 -5.938 -13.163 1.00 0.00 C ATOM 543 CD PRO A 301 3.064 -5.427 -14.312 1.00 0.00 C ATOM 0 HA PRO A 301 1.408 -3.189 -13.296 1.00 0.00 H new ATOM 0 HB2 PRO A 301 2.983 -5.013 -11.399 1.00 0.00 H new ATOM 0 HB3 PRO A 301 1.243 -4.874 -11.549 1.00 0.00 H new ATOM 0 HG2 PRO A 301 2.569 -6.873 -12.762 1.00 0.00 H new ATOM 0 HG3 PRO A 301 1.167 -6.139 -13.515 1.00 0.00 H new ATOM 0 HD2 PRO A 301 4.006 -5.973 -14.364 1.00 0.00 H new ATOM 0 HD3 PRO A 301 2.573 -5.546 -15.278 1.00 0.00 H new ATOM 551 N GLY A 302 4.199 -2.347 -11.946 1.00 0.00 N ATOM 552 CA GLY A 302 4.798 -1.261 -11.181 1.00 0.00 C ATOM 553 C GLY A 302 4.514 0.064 -11.883 1.00 0.00 C ATOM 554 O GLY A 302 4.986 1.122 -11.468 1.00 0.00 O ATOM 0 H GLY A 302 4.865 -2.994 -12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 302 4.391 -1.245 -10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 302 5.873 -1.415 -11.090 1.00 0.00 H new ATOM 558 N GLY A 303 3.734 -0.024 -12.958 1.00 0.00 N ATOM 559 CA GLY A 303 3.367 1.145 -13.749 1.00 0.00 C ATOM 560 C GLY A 303 2.725 0.704 -15.063 1.00 0.00 C ATOM 561 O GLY A 303 2.462 1.520 -15.947 1.00 0.00 O ATOM 0 H GLY A 303 3.342 -0.901 -13.302 1.00 0.00 H new ATOM 0 HA2 GLY A 303 2.674 1.771 -13.188 1.00 0.00 H new ATOM 0 HA3 GLY A 303 4.251 1.750 -13.951 1.00 0.00 H new ATOM 565 N GLY A 304 2.483 -0.600 -15.175 1.00 0.00 N ATOM 566 CA GLY A 304 1.874 -1.170 -16.373 1.00 0.00 C ATOM 567 C GLY A 304 0.354 -1.131 -16.276 1.00 0.00 C ATOM 568 O GLY A 304 -0.205 -0.516 -15.369 1.00 0.00 O ATOM 0 H GLY A 304 2.700 -1.283 -14.449 1.00 0.00 H new ATOM 0 HA2 GLY A 304 2.201 -0.615 -17.252 1.00 0.00 H new ATOM 0 HA3 GLY A 304 2.209 -2.199 -16.502 1.00 0.00 H new ATOM 572 N SER A 305 -0.309 -1.799 -17.213 1.00 0.00 N ATOM 573 CA SER A 305 -1.766 -1.840 -17.219 1.00 0.00 C ATOM 574 C SER A 305 -2.268 -2.860 -16.201 1.00 0.00 C ATOM 575 O SER A 305 -3.458 -3.173 -16.157 1.00 0.00 O ATOM 576 CB SER A 305 -2.277 -2.204 -18.613 1.00 0.00 C ATOM 577 OG SER A 305 -2.157 -3.606 -18.806 1.00 0.00 O ATOM 0 H SER A 305 0.135 -2.316 -17.972 1.00 0.00 H new ATOM 0 HA SER A 305 -2.144 -0.854 -16.949 1.00 0.00 H new ATOM 0 HB2 SER A 305 -3.317 -1.898 -18.723 1.00 0.00 H new ATOM 0 HB3 SER A 305 -1.706 -1.671 -19.373 1.00 0.00 H new ATOM 0 HG SER A 305 -2.908 -3.927 -19.348 1.00 0.00 H new ATOM 583 N VAL A 306 -1.351 -3.374 -15.386 1.00 0.00 N ATOM 584 CA VAL A 306 -1.708 -4.359 -14.371 1.00 0.00 C ATOM 585 C VAL A 306 -2.419 -5.550 -15.007 1.00 0.00 C ATOM 586 O VAL A 306 -3.555 -5.868 -14.660 1.00 0.00 O ATOM 587 CB VAL A 306 -2.620 -3.710 -13.327 1.00 0.00 C ATOM 588 CG1 VAL A 306 -2.882 -4.695 -12.186 1.00 0.00 C ATOM 589 CG2 VAL A 306 -1.940 -2.455 -12.773 1.00 0.00 C ATOM 0 H VAL A 306 -0.362 -3.127 -15.408 1.00 0.00 H new ATOM 0 HA VAL A 306 -0.796 -4.715 -13.891 1.00 0.00 H new ATOM 0 HB VAL A 306 -3.568 -3.439 -13.791 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -3.532 -4.229 -11.445 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -3.365 -5.589 -12.581 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -1.937 -4.970 -11.718 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -2.586 -1.989 -12.029 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -0.992 -2.729 -12.310 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -1.757 -1.752 -13.585 1.00 0.00 H new ATOM 599 N GLN A 307 -1.737 -6.202 -15.946 1.00 0.00 N ATOM 600 CA GLN A 307 -2.309 -7.355 -16.634 1.00 0.00 C ATOM 601 C GLN A 307 -2.140 -8.616 -15.793 1.00 0.00 C ATOM 602 O GLN A 307 -3.102 -9.129 -15.220 1.00 0.00 O ATOM 603 CB GLN A 307 -1.601 -7.540 -17.975 1.00 0.00 C ATOM 604 CG GLN A 307 -1.581 -6.202 -18.706 1.00 0.00 C ATOM 605 CD GLN A 307 -0.878 -6.348 -20.051 1.00 0.00 C ATOM 606 OE1 GLN A 307 -0.210 -7.352 -20.297 1.00 0.00 O ATOM 607 NE2 GLN A 307 -0.986 -5.399 -20.939 1.00 0.00 N ATOM 0 H GLN A 307 -0.794 -5.953 -16.246 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.373 -7.181 -16.794 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -0.584 -7.901 -17.819 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -2.117 -8.290 -18.574 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -2.600 -5.846 -18.857 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -1.069 -5.455 -18.099 1.00 0.00 H new ATOM 0 HE21 GLN A 307 -1.540 -4.568 -20.733 1.00 0.00 H new ATOM 0 HE22 GLN A 307 -0.516 -5.488 -21.840 1.00 0.00 H new ATOM 616 N ILE A 308 -0.906 -9.101 -15.718 1.00 0.00 N ATOM 617 CA ILE A 308 -0.602 -10.294 -14.938 1.00 0.00 C ATOM 618 C ILE A 308 -0.677 -9.979 -13.449 1.00 0.00 C ATOM 619 O ILE A 308 -0.495 -10.856 -12.606 1.00 0.00 O ATOM 620 CB ILE A 308 0.793 -10.826 -15.296 1.00 0.00 C ATOM 621 CG1 ILE A 308 1.883 -9.958 -14.650 1.00 0.00 C ATOM 622 CG2 ILE A 308 0.969 -10.806 -16.815 1.00 0.00 C ATOM 623 CD1 ILE A 308 1.665 -8.495 -15.012 1.00 0.00 C ATOM 0 H ILE A 308 -0.101 -8.687 -16.187 1.00 0.00 H new ATOM 0 HA ILE A 308 -1.338 -11.062 -15.174 1.00 0.00 H new ATOM 0 HB ILE A 308 0.885 -11.846 -14.922 1.00 0.00 H new ATOM 0 HG12 ILE A 308 1.863 -10.080 -13.567 1.00 0.00 H new ATOM 0 HG13 ILE A 308 2.867 -10.283 -14.989 1.00 0.00 H new ATOM 0 HG21 ILE A 308 1.959 -11.183 -17.072 1.00 0.00 H new ATOM 0 HG22 ILE A 308 0.209 -11.436 -17.278 1.00 0.00 H new ATOM 0 HG23 ILE A 308 0.864 -9.784 -17.180 1.00 0.00 H new ATOM 0 HD11 ILE A 308 2.442 -7.886 -14.550 1.00 0.00 H new ATOM 0 HD12 ILE A 308 1.708 -8.378 -16.095 1.00 0.00 H new ATOM 0 HD13 ILE A 308 0.689 -8.172 -14.651 1.00 0.00 H new ATOM 635 N VAL A 309 -0.940 -8.712 -13.143 1.00 0.00 N ATOM 636 CA VAL A 309 -1.032 -8.264 -11.762 1.00 0.00 C ATOM 637 C VAL A 309 -0.055 -9.038 -10.882 1.00 0.00 C ATOM 638 O VAL A 309 -0.386 -9.414 -9.757 1.00 0.00 O ATOM 639 CB VAL A 309 -2.458 -8.471 -11.243 1.00 0.00 C ATOM 640 CG1 VAL A 309 -2.733 -7.502 -10.088 1.00 0.00 C ATOM 641 CG2 VAL A 309 -3.455 -8.217 -12.378 1.00 0.00 C ATOM 0 H VAL A 309 -1.093 -7.979 -13.835 1.00 0.00 H new ATOM 0 HA VAL A 309 -0.778 -7.205 -11.724 1.00 0.00 H new ATOM 0 HB VAL A 309 -2.569 -9.495 -10.885 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -3.748 -7.652 -9.721 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -2.024 -7.688 -9.281 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -2.622 -6.476 -10.439 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -4.470 -8.364 -12.010 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -3.344 -7.194 -12.738 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -3.261 -8.912 -13.195 1.00 0.00 H new ATOM 651 N TYR A 310 1.146 -9.285 -11.401 1.00 0.00 N ATOM 652 CA TYR A 310 2.148 -10.031 -10.646 1.00 0.00 C ATOM 653 C TYR A 310 3.571 -9.540 -10.952 1.00 0.00 C ATOM 654 O TYR A 310 4.502 -9.867 -10.217 1.00 0.00 O ATOM 655 CB TYR A 310 2.006 -11.532 -10.958 1.00 0.00 C ATOM 656 CG TYR A 310 3.310 -12.253 -10.718 1.00 0.00 C ATOM 657 CD1 TYR A 310 3.674 -12.641 -9.423 1.00 0.00 C ATOM 658 CD2 TYR A 310 4.155 -12.531 -11.796 1.00 0.00 C ATOM 659 CE1 TYR A 310 4.886 -13.310 -9.209 1.00 0.00 C ATOM 660 CE2 TYR A 310 5.364 -13.200 -11.584 1.00 0.00 C ATOM 661 CZ TYR A 310 5.731 -13.590 -10.290 1.00 0.00 C ATOM 662 OH TYR A 310 6.925 -14.249 -10.079 1.00 0.00 O ATOM 0 H TYR A 310 1.446 -8.984 -12.328 1.00 0.00 H new ATOM 0 HA TYR A 310 1.977 -9.864 -9.582 1.00 0.00 H new ATOM 0 HB2 TYR A 310 1.225 -11.966 -10.334 1.00 0.00 H new ATOM 0 HB3 TYR A 310 1.697 -11.665 -11.995 1.00 0.00 H new ATOM 0 HD1 TYR A 310 3.021 -12.425 -8.590 1.00 0.00 H new ATOM 0 HD2 TYR A 310 3.874 -12.229 -12.794 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.169 -13.610 -8.211 1.00 0.00 H new ATOM 0 HE2 TYR A 310 6.015 -13.416 -12.418 1.00 0.00 H new ATOM 0 HH TYR A 310 7.390 -14.365 -10.934 1.00 0.00 H new ATOM 672 N LYS A 311 3.736 -8.759 -12.025 1.00 0.00 N ATOM 673 CA LYS A 311 5.061 -8.238 -12.390 1.00 0.00 C ATOM 674 C LYS A 311 6.171 -9.219 -12.001 1.00 0.00 C ATOM 675 O LYS A 311 6.621 -9.230 -10.855 1.00 0.00 O ATOM 676 CB LYS A 311 5.313 -6.900 -11.686 1.00 0.00 C ATOM 677 CG LYS A 311 4.783 -6.956 -10.251 1.00 0.00 C ATOM 678 CD LYS A 311 5.119 -5.648 -9.532 1.00 0.00 C ATOM 679 CE LYS A 311 4.278 -5.536 -8.259 1.00 0.00 C ATOM 680 NZ LYS A 311 4.631 -4.280 -7.537 1.00 0.00 N ATOM 0 H LYS A 311 2.981 -8.476 -12.649 1.00 0.00 H new ATOM 0 HA LYS A 311 5.075 -8.101 -13.471 1.00 0.00 H new ATOM 0 HB2 LYS A 311 6.380 -6.678 -11.680 1.00 0.00 H new ATOM 0 HB3 LYS A 311 4.823 -6.094 -12.232 1.00 0.00 H new ATOM 0 HG2 LYS A 311 3.705 -7.114 -10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 311 5.226 -7.799 -9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 311 6.180 -5.619 -9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 311 4.922 -4.799 -10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 311 3.217 -5.538 -8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 311 4.455 -6.399 -7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 4.059 -4.204 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 5.640 -4.296 -7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 4.441 -3.462 -8.150 1.00 0.00 H new ATOM 694 N PRO A 312 6.626 -10.030 -12.923 1.00 0.00 N ATOM 695 CA PRO A 312 7.713 -11.013 -12.634 1.00 0.00 C ATOM 696 C PRO A 312 9.015 -10.324 -12.229 1.00 0.00 C ATOM 697 O PRO A 312 9.066 -9.107 -12.303 1.00 0.00 O ATOM 698 CB PRO A 312 7.887 -11.782 -13.950 1.00 0.00 C ATOM 699 CG PRO A 312 6.612 -11.589 -14.696 1.00 0.00 C ATOM 700 CD PRO A 312 6.061 -10.233 -14.266 1.00 0.00 C ATOM 701 OXT PRO A 312 9.939 -11.024 -11.850 1.00 0.00 O ATOM 0 HA PRO A 312 7.459 -11.661 -11.795 1.00 0.00 H new ATOM 0 HB2 PRO A 312 8.736 -11.401 -14.518 1.00 0.00 H new ATOM 0 HB3 PRO A 312 8.077 -12.839 -13.765 1.00 0.00 H new ATOM 0 HG2 PRO A 312 6.784 -11.614 -15.772 1.00 0.00 H new ATOM 0 HG3 PRO A 312 5.904 -12.386 -14.468 1.00 0.00 H new ATOM 0 HD2 PRO A 312 6.366 -9.442 -14.951 1.00 0.00 H new ATOM 0 HD3 PRO A 312 4.971 -10.233 -14.245 1.00 0.00 H new TER 709 PRO A 312