USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 656 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 17 LYS NZ :NH3+ -121:sc= 0.41 (180deg=0.221) USER MOD Set 1.2: A 88 THR OG1 : rot -84:sc= 0.583 USER MOD Single : A 25 SER OG : rot -160:sc= -0.166 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.16! C(o=-2.2!,f=-10!) USER MOD Single : A 60 GLN : amide:sc= -0.0429 K(o=-0.043,f=-1.3) USER MOD Single : A 62 ASN : amide:sc= -4.18! C(o=-4.2!,f=-4.2!) USER MOD Single : A 64 GLN : amide:sc=-0.00197 K(o=-0.002,f=-0.99) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0501 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.001 X(o=-0.001,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 79:sc= 0.126 USER MOD Single : A 87 ASN : amide:sc= 0.913 K(o=0.91,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.467 4.349 7.559 1.00 0.00 N ATOM 86 CA GLU A 9 -9.834 4.603 8.842 1.00 0.00 C ATOM 87 C GLU A 9 -8.312 4.638 8.685 1.00 0.00 C ATOM 88 O GLU A 9 -7.663 3.593 8.658 1.00 0.00 O ATOM 89 CB GLU A 9 -10.254 3.558 9.877 1.00 0.00 C ATOM 90 CG GLU A 9 -9.085 3.192 10.793 1.00 0.00 C ATOM 91 CD GLU A 9 -9.586 2.643 12.130 1.00 0.00 C ATOM 92 OE1 GLU A 9 -10.284 1.607 12.093 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.261 3.273 13.160 1.00 0.00 O ATOM 0 HA GLU A 9 -10.165 5.577 9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.081 3.944 10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.617 2.664 9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.454 2.449 10.304 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.465 4.072 10.967 1.00 0.00 H new ATOM 100 N LEU A 10 -7.787 5.850 8.585 1.00 0.00 N ATOM 101 CA LEU A 10 -6.354 6.035 8.431 1.00 0.00 C ATOM 102 C LEU A 10 -5.725 6.276 9.805 1.00 0.00 C ATOM 103 O LEU A 10 -5.940 7.323 10.415 1.00 0.00 O ATOM 104 CB LEU A 10 -6.063 7.144 7.418 1.00 0.00 C ATOM 105 CG LEU A 10 -6.733 6.997 6.051 1.00 0.00 C ATOM 106 CD1 LEU A 10 -6.883 5.522 5.670 1.00 0.00 C ATOM 107 CD2 LEU A 10 -8.072 7.737 6.014 1.00 0.00 C ATOM 0 H LEU A 10 -8.328 6.714 8.608 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.895 5.134 8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.372 8.095 7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.985 7.198 7.268 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.089 7.459 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.362 5.445 4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.899 5.055 5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.495 5.014 6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.527 7.616 5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.736 7.326 6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.908 8.797 6.210 1.00 0.00 H new ATOM 119 N PHE A 11 -4.961 5.291 10.252 1.00 0.00 N ATOM 120 CA PHE A 11 -4.300 5.382 11.542 1.00 0.00 C ATOM 121 C PHE A 11 -2.797 5.128 11.407 1.00 0.00 C ATOM 122 O PHE A 11 -2.383 4.158 10.775 1.00 0.00 O ATOM 123 CB PHE A 11 -4.910 4.301 12.436 1.00 0.00 C ATOM 124 CG PHE A 11 -4.938 2.910 11.799 1.00 0.00 C ATOM 125 CD1 PHE A 11 -5.851 2.622 10.834 1.00 0.00 C ATOM 126 CD2 PHE A 11 -4.048 1.962 12.198 1.00 0.00 C ATOM 127 CE1 PHE A 11 -5.877 1.331 10.243 1.00 0.00 C ATOM 128 CE2 PHE A 11 -4.074 0.671 11.607 1.00 0.00 C ATOM 129 CZ PHE A 11 -4.988 0.383 10.642 1.00 0.00 C ATOM 0 H PHE A 11 -4.785 4.425 9.743 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.437 6.379 11.960 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.345 4.252 13.367 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.928 4.591 12.696 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.557 3.375 10.517 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.322 2.191 12.964 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.603 1.102 9.477 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.368 -0.082 11.924 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.008 -0.599 10.193 1.00 0.00 H new ATOM 139 N PRO A 12 -2.002 6.039 12.029 1.00 0.00 N ATOM 140 CA PRO A 12 -0.554 5.923 11.984 1.00 0.00 C ATOM 141 C PRO A 12 -0.064 4.811 12.914 1.00 0.00 C ATOM 142 O PRO A 12 -0.304 4.854 14.119 1.00 0.00 O ATOM 143 CB PRO A 12 -0.037 7.297 12.378 1.00 0.00 C ATOM 144 CG PRO A 12 -1.194 7.994 13.075 1.00 0.00 C ATOM 145 CD PRO A 12 -2.458 7.201 12.787 1.00 0.00 C ATOM 0 HA PRO A 12 -0.185 5.641 10.998 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.825 7.215 13.040 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.286 7.859 11.502 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.015 8.050 14.149 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.295 9.018 12.715 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.956 6.902 13.709 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.174 7.791 12.215 1.00 0.00 H new ATOM 153 N VAL A 13 0.613 3.841 12.318 1.00 0.00 N ATOM 154 CA VAL A 13 1.138 2.719 13.077 1.00 0.00 C ATOM 155 C VAL A 13 2.666 2.793 13.096 1.00 0.00 C ATOM 156 O VAL A 13 3.304 2.814 12.044 1.00 0.00 O ATOM 157 CB VAL A 13 0.610 1.404 12.501 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.391 0.210 13.055 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.888 1.250 12.768 1.00 0.00 C ATOM 0 H VAL A 13 0.810 3.809 11.318 1.00 0.00 H new ATOM 0 HA VAL A 13 0.797 2.765 14.111 1.00 0.00 H new ATOM 0 HB VAL A 13 0.757 1.429 11.421 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.996 -0.712 12.630 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.444 0.310 12.791 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.291 0.181 14.140 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.237 0.307 12.348 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.069 1.258 13.843 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.427 2.076 12.304 1.00 0.00 H new ATOM 169 N GLU A 14 3.210 2.829 14.304 1.00 0.00 N ATOM 170 CA GLU A 14 4.652 2.900 14.474 1.00 0.00 C ATOM 171 C GLU A 14 5.272 1.509 14.327 1.00 0.00 C ATOM 172 O GLU A 14 4.668 0.511 14.717 1.00 0.00 O ATOM 173 CB GLU A 14 5.015 3.522 15.823 1.00 0.00 C ATOM 174 CG GLU A 14 4.707 5.021 15.836 1.00 0.00 C ATOM 175 CD GLU A 14 3.994 5.423 17.129 1.00 0.00 C ATOM 176 OE1 GLU A 14 2.766 5.201 17.192 1.00 0.00 O ATOM 177 OE2 GLU A 14 4.694 5.944 18.024 1.00 0.00 O ATOM 0 H GLU A 14 2.678 2.810 15.174 1.00 0.00 H new ATOM 0 HA GLU A 14 5.059 3.543 13.694 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.458 3.026 16.618 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.074 3.363 16.028 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.633 5.587 15.736 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.084 5.275 14.979 1.00 0.00 H new ATOM 184 N LEU A 15 6.471 1.488 13.763 1.00 0.00 N ATOM 185 CA LEU A 15 7.180 0.236 13.560 1.00 0.00 C ATOM 186 C LEU A 15 8.685 0.479 13.696 1.00 0.00 C ATOM 187 O LEU A 15 9.219 1.425 13.120 1.00 0.00 O ATOM 188 CB LEU A 15 6.778 -0.397 12.226 1.00 0.00 C ATOM 189 CG LEU A 15 6.031 -1.730 12.315 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.815 -2.331 10.924 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.752 -2.701 13.253 1.00 0.00 C ATOM 0 H LEU A 15 6.969 2.318 13.440 1.00 0.00 H new ATOM 0 HA LEU A 15 6.903 -0.487 14.327 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.152 0.312 11.684 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.679 -0.547 11.631 1.00 0.00 H new ATOM 0 HG LEU A 15 5.046 -1.542 12.741 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.282 -3.278 11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.228 -1.642 10.317 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.780 -2.503 10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.201 -3.640 13.298 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.758 -2.889 12.879 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.811 -2.267 14.251 1.00 0.00 H new ATOM 203 N GLU A 16 9.326 -0.392 14.462 1.00 0.00 N ATOM 204 CA GLU A 16 10.758 -0.284 14.681 1.00 0.00 C ATOM 205 C GLU A 16 11.501 -1.344 13.866 1.00 0.00 C ATOM 206 O GLU A 16 11.408 -2.535 14.158 1.00 0.00 O ATOM 207 CB GLU A 16 11.095 -0.400 16.169 1.00 0.00 C ATOM 208 CG GLU A 16 11.509 0.956 16.745 1.00 0.00 C ATOM 209 CD GLU A 16 12.476 0.781 17.917 1.00 0.00 C ATOM 210 OE1 GLU A 16 13.350 -0.106 17.805 1.00 0.00 O ATOM 211 OE2 GLU A 16 12.321 1.539 18.899 1.00 0.00 O ATOM 0 H GLU A 16 8.880 -1.176 14.939 1.00 0.00 H new ATOM 0 HA GLU A 16 11.084 0.700 14.344 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.231 -0.781 16.713 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.902 -1.120 16.308 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.980 1.557 15.967 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.624 1.500 17.077 1.00 0.00 H new ATOM 218 N LYS A 17 12.222 -0.873 12.859 1.00 0.00 N ATOM 219 CA LYS A 17 12.981 -1.765 12.000 1.00 0.00 C ATOM 220 C LYS A 17 13.609 -2.872 12.849 1.00 0.00 C ATOM 221 O LYS A 17 13.837 -2.689 14.044 1.00 0.00 O ATOM 222 CB LYS A 17 13.996 -0.976 11.171 1.00 0.00 C ATOM 223 CG LYS A 17 13.331 -0.343 9.947 1.00 0.00 C ATOM 224 CD LYS A 17 14.378 0.142 8.943 1.00 0.00 C ATOM 225 CE LYS A 17 13.808 0.165 7.523 1.00 0.00 C ATOM 226 NZ LYS A 17 14.754 0.823 6.595 1.00 0.00 N ATOM 0 H LYS A 17 12.296 0.116 12.619 1.00 0.00 H new ATOM 0 HA LYS A 17 12.323 -2.250 11.279 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.448 -0.198 11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.801 -1.637 10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.674 -1.070 9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.707 0.494 10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.716 1.141 9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.250 -0.511 8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.610 -0.853 7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.855 0.694 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.293 1.643 6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.593 1.140 7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.042 0.149 5.857 1.00 0.00 H new ATOM 240 N ASP A 18 13.870 -3.997 12.199 1.00 0.00 N ATOM 241 CA ASP A 18 14.466 -5.134 12.879 1.00 0.00 C ATOM 242 C ASP A 18 15.685 -5.613 12.089 1.00 0.00 C ATOM 243 O ASP A 18 15.974 -5.096 11.011 1.00 0.00 O ATOM 244 CB ASP A 18 13.478 -6.298 12.977 1.00 0.00 C ATOM 245 CG ASP A 18 12.273 -6.048 13.886 1.00 0.00 C ATOM 246 OD1 ASP A 18 12.262 -4.978 14.533 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.391 -6.933 13.915 1.00 0.00 O ATOM 0 H ASP A 18 13.679 -4.145 11.208 1.00 0.00 H new ATOM 0 HA ASP A 18 14.748 -4.816 13.883 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.116 -6.533 11.976 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.011 -7.178 13.339 1.00 0.00 H new ATOM 252 N GLU A 19 16.368 -6.597 12.655 1.00 0.00 N ATOM 253 CA GLU A 19 17.550 -7.153 12.017 1.00 0.00 C ATOM 254 C GLU A 19 17.320 -7.300 10.512 1.00 0.00 C ATOM 255 O GLU A 19 18.256 -7.183 9.723 1.00 0.00 O ATOM 256 CB GLU A 19 17.934 -8.493 12.646 1.00 0.00 C ATOM 257 CG GLU A 19 18.317 -9.514 11.572 1.00 0.00 C ATOM 258 CD GLU A 19 19.584 -9.082 10.832 1.00 0.00 C ATOM 259 OE1 GLU A 19 20.108 -8.003 11.186 1.00 0.00 O ATOM 260 OE2 GLU A 19 20.000 -9.839 9.930 1.00 0.00 O ATOM 0 H GLU A 19 16.126 -7.024 13.549 1.00 0.00 H new ATOM 0 HA GLU A 19 18.381 -6.465 12.173 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.769 -8.351 13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.100 -8.875 13.235 1.00 0.00 H new ATOM 0 HG2 GLU A 19 18.475 -10.489 12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.497 -9.626 10.862 1.00 0.00 H new ATOM 267 N ASP A 20 16.068 -7.554 10.158 1.00 0.00 N ATOM 268 CA ASP A 20 15.704 -7.718 8.761 1.00 0.00 C ATOM 269 C ASP A 20 14.704 -6.628 8.368 1.00 0.00 C ATOM 270 O ASP A 20 13.677 -6.915 7.754 1.00 0.00 O ATOM 271 CB ASP A 20 15.042 -9.076 8.521 1.00 0.00 C ATOM 272 CG ASP A 20 15.480 -9.792 7.242 1.00 0.00 C ATOM 273 OD1 ASP A 20 16.705 -9.995 7.097 1.00 0.00 O ATOM 274 OD2 ASP A 20 14.581 -10.120 6.438 1.00 0.00 O ATOM 0 H ASP A 20 15.293 -7.650 10.815 1.00 0.00 H new ATOM 0 HA ASP A 20 16.614 -7.650 8.165 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.255 -9.723 9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.961 -8.936 8.489 1.00 0.00 H new ATOM 279 N GLY A 21 15.039 -5.401 8.738 1.00 0.00 N ATOM 280 CA GLY A 21 14.184 -4.267 8.432 1.00 0.00 C ATOM 281 C GLY A 21 12.805 -4.431 9.075 1.00 0.00 C ATOM 282 O GLY A 21 12.693 -4.925 10.196 1.00 0.00 O ATOM 0 H GLY A 21 15.891 -5.167 9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.649 -3.349 8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.076 -4.169 7.352 1.00 0.00 H new ATOM 286 N LEU A 22 11.789 -4.008 8.337 1.00 0.00 N ATOM 287 CA LEU A 22 10.422 -4.102 8.820 1.00 0.00 C ATOM 288 C LEU A 22 10.000 -5.572 8.861 1.00 0.00 C ATOM 289 O LEU A 22 9.607 -6.080 9.910 1.00 0.00 O ATOM 290 CB LEU A 22 9.496 -3.218 7.983 1.00 0.00 C ATOM 291 CG LEU A 22 10.001 -1.804 7.690 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.425 -1.277 6.374 1.00 0.00 C ATOM 293 CD2 LEU A 22 9.707 -0.864 8.861 1.00 0.00 C ATOM 0 H LEU A 22 11.885 -3.599 7.408 1.00 0.00 H new ATOM 0 HA LEU A 22 10.351 -3.722 9.839 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.309 -3.719 7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.538 -3.141 8.497 1.00 0.00 H new ATOM 0 HG LEU A 22 11.084 -1.845 7.573 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.800 -0.270 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.727 -1.932 5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.337 -1.253 6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.076 0.135 8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.631 -0.822 9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.204 -1.234 9.758 1.00 0.00 H new ATOM 305 N GLY A 23 10.095 -6.213 7.705 1.00 0.00 N ATOM 306 CA GLY A 23 9.728 -7.615 7.595 1.00 0.00 C ATOM 307 C GLY A 23 8.264 -7.767 7.178 1.00 0.00 C ATOM 308 O GLY A 23 7.494 -8.460 7.841 1.00 0.00 O ATOM 0 H GLY A 23 10.421 -5.788 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.371 -8.107 6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.891 -8.114 8.550 1.00 0.00 H new ATOM 312 N ILE A 24 7.924 -7.108 6.080 1.00 0.00 N ATOM 313 CA ILE A 24 6.566 -7.161 5.565 1.00 0.00 C ATOM 314 C ILE A 24 6.604 -7.185 4.036 1.00 0.00 C ATOM 315 O ILE A 24 7.553 -6.692 3.428 1.00 0.00 O ATOM 316 CB ILE A 24 5.729 -6.016 6.142 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.622 -4.856 6.588 1.00 0.00 C ATOM 318 CG2 ILE A 24 4.826 -6.513 7.272 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.872 -3.525 6.505 1.00 0.00 C ATOM 0 H ILE A 24 8.566 -6.534 5.533 1.00 0.00 H new ATOM 0 HA ILE A 24 6.073 -8.079 5.886 1.00 0.00 H new ATOM 0 HB ILE A 24 5.078 -5.637 5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.960 -5.024 7.611 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.513 -4.816 5.961 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.242 -5.680 7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.152 -7.280 6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.439 -6.934 8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.528 -2.717 6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.557 -3.348 5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.995 -3.560 7.152 1.00 0.00 H new ATOM 331 N SER A 25 5.561 -7.763 3.459 1.00 0.00 N ATOM 332 CA SER A 25 5.464 -7.858 2.012 1.00 0.00 C ATOM 333 C SER A 25 4.333 -6.962 1.504 1.00 0.00 C ATOM 334 O SER A 25 3.263 -6.905 2.107 1.00 0.00 O ATOM 335 CB SER A 25 5.236 -9.304 1.569 1.00 0.00 C ATOM 336 OG SER A 25 6.008 -10.225 2.334 1.00 0.00 O ATOM 0 H SER A 25 4.776 -8.170 3.967 1.00 0.00 H new ATOM 0 HA SER A 25 6.407 -7.520 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.178 -9.550 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.492 -9.405 0.514 1.00 0.00 H new ATOM 0 HG SER A 25 6.091 -11.069 1.843 1.00 0.00 H new ATOM 342 N ILE A 26 4.609 -6.284 0.399 1.00 0.00 N ATOM 343 CA ILE A 26 3.628 -5.394 -0.197 1.00 0.00 C ATOM 344 C ILE A 26 3.155 -5.981 -1.529 1.00 0.00 C ATOM 345 O ILE A 26 3.569 -7.075 -1.911 1.00 0.00 O ATOM 346 CB ILE A 26 4.193 -3.977 -0.317 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.538 -3.982 -1.045 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.286 -3.306 1.056 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.655 -2.786 -1.991 1.00 0.00 C ATOM 0 H ILE A 26 5.498 -6.334 -0.099 1.00 0.00 H new ATOM 0 HA ILE A 26 2.751 -5.310 0.445 1.00 0.00 H new ATOM 0 HB ILE A 26 3.504 -3.385 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.349 -3.955 -0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.646 -4.908 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.691 -2.300 0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.293 -3.250 1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.941 -3.890 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.621 -2.814 -2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.857 -2.829 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.571 -1.861 -1.420 1.00 0.00 H new ATOM 361 N ILE A 27 2.294 -5.229 -2.198 1.00 0.00 N ATOM 362 CA ILE A 27 1.760 -5.661 -3.479 1.00 0.00 C ATOM 363 C ILE A 27 1.264 -4.442 -4.258 1.00 0.00 C ATOM 364 O ILE A 27 0.713 -3.510 -3.674 1.00 0.00 O ATOM 365 CB ILE A 27 0.693 -6.739 -3.278 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.291 -6.761 -4.450 1.00 0.00 C ATOM 367 CG2 ILE A 27 -0.019 -6.562 -1.935 1.00 0.00 C ATOM 368 CD1 ILE A 27 -0.849 -8.168 -4.671 1.00 0.00 C ATOM 0 H ILE A 27 1.953 -4.323 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 27 2.541 -6.126 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 27 1.188 -7.710 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.109 -6.068 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.209 -6.418 -5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.772 -7.341 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.708 -6.634 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.500 -5.584 -1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.545 -8.156 -5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.030 -8.854 -4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.369 -8.498 -3.772 1.00 0.00 H new ATOM 380 N GLY A 28 1.478 -4.487 -5.565 1.00 0.00 N ATOM 381 CA GLY A 28 1.060 -3.397 -6.430 1.00 0.00 C ATOM 382 C GLY A 28 -0.267 -3.723 -7.119 1.00 0.00 C ATOM 383 O GLY A 28 -0.325 -4.600 -7.979 1.00 0.00 O ATOM 0 H GLY A 28 1.936 -5.262 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.956 -2.483 -5.845 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.827 -3.209 -7.181 1.00 0.00 H new ATOM 387 N MET A 29 -1.300 -2.998 -6.715 1.00 0.00 N ATOM 388 CA MET A 29 -2.623 -3.199 -7.282 1.00 0.00 C ATOM 389 C MET A 29 -3.235 -1.870 -7.730 1.00 0.00 C ATOM 390 O MET A 29 -2.804 -0.805 -7.290 1.00 0.00 O ATOM 391 CB MET A 29 -3.531 -3.855 -6.241 1.00 0.00 C ATOM 392 CG MET A 29 -2.886 -5.118 -5.668 1.00 0.00 C ATOM 393 SD MET A 29 -3.599 -6.567 -6.429 1.00 0.00 S ATOM 394 CE MET A 29 -4.532 -7.213 -5.052 1.00 0.00 C ATOM 0 H MET A 29 -1.248 -2.271 -6.002 1.00 0.00 H new ATOM 0 HA MET A 29 -2.530 -3.846 -8.154 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.736 -3.150 -5.436 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.489 -4.106 -6.696 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.810 -5.098 -5.842 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.034 -5.154 -4.589 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.044 -8.126 -5.356 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.856 -7.434 -4.226 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.267 -6.474 -4.732 1.00 0.00 H new ATOM 404 N GLY A 30 -4.229 -1.976 -8.599 1.00 0.00 N ATOM 405 CA GLY A 30 -4.905 -0.796 -9.110 1.00 0.00 C ATOM 406 C GLY A 30 -6.277 -0.622 -8.456 1.00 0.00 C ATOM 407 O GLY A 30 -7.171 -1.442 -8.653 1.00 0.00 O ATOM 0 H GLY A 30 -4.583 -2.861 -8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.294 0.087 -8.922 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.021 -0.879 -10.191 1.00 0.00 H new ATOM 411 N VAL A 31 -6.399 0.452 -7.689 1.00 0.00 N ATOM 412 CA VAL A 31 -7.647 0.744 -7.003 1.00 0.00 C ATOM 413 C VAL A 31 -8.452 1.751 -7.826 1.00 0.00 C ATOM 414 O VAL A 31 -7.891 2.698 -8.377 1.00 0.00 O ATOM 415 CB VAL A 31 -7.361 1.227 -5.580 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.489 0.823 -4.628 1.00 0.00 C ATOM 417 CG2 VAL A 31 -6.011 0.704 -5.084 1.00 0.00 C ATOM 0 H VAL A 31 -5.655 1.130 -7.527 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.252 -0.158 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.311 2.316 -5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.262 1.178 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.426 1.265 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.584 -0.263 -4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.832 1.062 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.019 -0.386 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.218 1.063 -5.740 1.00 0.00 H new ATOM 492 N GLU A 38 -6.458 6.046 -12.655 1.00 0.00 N ATOM 493 CA GLU A 38 -6.074 4.875 -11.887 1.00 0.00 C ATOM 494 C GLU A 38 -5.169 5.278 -10.721 1.00 0.00 C ATOM 495 O GLU A 38 -4.265 6.094 -10.886 1.00 0.00 O ATOM 496 CB GLU A 38 -5.391 3.835 -12.777 1.00 0.00 C ATOM 497 CG GLU A 38 -4.130 4.410 -13.424 1.00 0.00 C ATOM 498 CD GLU A 38 -3.476 3.387 -14.355 1.00 0.00 C ATOM 499 OE1 GLU A 38 -4.229 2.769 -15.138 1.00 0.00 O ATOM 500 OE2 GLU A 38 -2.237 3.248 -14.264 1.00 0.00 O ATOM 0 HA GLU A 38 -6.977 4.420 -11.480 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.132 2.958 -12.184 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.083 3.504 -13.552 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.383 5.309 -13.986 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.423 4.707 -12.650 1.00 0.00 H new ATOM 507 N LYS A 39 -5.445 4.686 -9.568 1.00 0.00 N ATOM 508 CA LYS A 39 -4.667 4.973 -8.375 1.00 0.00 C ATOM 509 C LYS A 39 -4.169 3.660 -7.768 1.00 0.00 C ATOM 510 O LYS A 39 -4.900 2.993 -7.037 1.00 0.00 O ATOM 511 CB LYS A 39 -5.476 5.833 -7.401 1.00 0.00 C ATOM 512 CG LYS A 39 -5.344 7.319 -7.741 1.00 0.00 C ATOM 513 CD LYS A 39 -4.738 8.097 -6.571 1.00 0.00 C ATOM 514 CE LYS A 39 -5.248 9.539 -6.550 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.378 10.408 -7.375 1.00 0.00 N ATOM 0 H LYS A 39 -6.196 4.009 -9.435 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.786 5.562 -8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.525 5.540 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.131 5.657 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.718 7.439 -8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.324 7.728 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.991 7.604 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.651 8.093 -6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.270 9.575 -6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.273 9.907 -5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.738 11.383 -7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.409 10.387 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.375 10.065 -8.357 1.00 0.00 H new ATOM 529 N LEU A 40 -2.928 3.328 -8.093 1.00 0.00 N ATOM 530 CA LEU A 40 -2.324 2.107 -7.589 1.00 0.00 C ATOM 531 C LEU A 40 -2.368 2.114 -6.060 1.00 0.00 C ATOM 532 O LEU A 40 -1.968 3.091 -5.428 1.00 0.00 O ATOM 533 CB LEU A 40 -0.916 1.929 -8.162 1.00 0.00 C ATOM 534 CG LEU A 40 -0.494 0.491 -8.469 1.00 0.00 C ATOM 535 CD1 LEU A 40 -1.337 -0.099 -9.601 1.00 0.00 C ATOM 536 CD2 LEU A 40 1.005 0.412 -8.769 1.00 0.00 C ATOM 0 H LEU A 40 -2.325 3.884 -8.699 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.891 1.237 -7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.842 2.512 -9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.202 2.354 -7.457 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.678 -0.115 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.016 -1.122 -9.799 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.388 -0.098 -9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.209 0.502 -10.501 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.279 -0.621 -8.984 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.237 1.036 -9.632 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.568 0.764 -7.905 1.00 0.00 H new ATOM 548 N GLY A 41 -2.859 1.014 -5.508 1.00 0.00 N ATOM 549 CA GLY A 41 -2.961 0.881 -4.065 1.00 0.00 C ATOM 550 C GLY A 41 -1.965 -0.154 -3.538 1.00 0.00 C ATOM 551 O GLY A 41 -2.022 -1.323 -3.914 1.00 0.00 O ATOM 0 H GLY A 41 -3.191 0.206 -6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.773 1.845 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.975 0.586 -3.794 1.00 0.00 H new ATOM 555 N ILE A 42 -1.076 0.314 -2.674 1.00 0.00 N ATOM 556 CA ILE A 42 -0.069 -0.556 -2.091 1.00 0.00 C ATOM 557 C ILE A 42 -0.669 -1.292 -0.891 1.00 0.00 C ATOM 558 O ILE A 42 -0.957 -0.679 0.136 1.00 0.00 O ATOM 559 CB ILE A 42 1.196 0.237 -1.756 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.581 1.168 -2.907 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.343 -0.698 -1.368 1.00 0.00 C ATOM 562 CD1 ILE A 42 1.934 0.370 -4.164 1.00 0.00 C ATOM 0 H ILE A 42 -1.032 1.285 -2.364 1.00 0.00 H new ATOM 0 HA ILE A 42 0.240 -1.315 -2.809 1.00 0.00 H new ATOM 0 HB ILE A 42 0.985 0.865 -0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.755 1.846 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.431 1.784 -2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.230 -0.109 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.056 -1.283 -0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.562 -1.370 -2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.204 1.056 -4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.776 -0.289 -3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.074 -0.226 -4.470 1.00 0.00 H new ATOM 574 N PHE A 43 -0.840 -2.594 -1.061 1.00 0.00 N ATOM 575 CA PHE A 43 -1.401 -3.420 -0.005 1.00 0.00 C ATOM 576 C PHE A 43 -0.348 -4.371 0.565 1.00 0.00 C ATOM 577 O PHE A 43 0.700 -4.581 -0.045 1.00 0.00 O ATOM 578 CB PHE A 43 -2.528 -4.243 -0.632 1.00 0.00 C ATOM 579 CG PHE A 43 -3.670 -3.400 -1.204 1.00 0.00 C ATOM 580 CD1 PHE A 43 -4.703 -3.021 -0.404 1.00 0.00 C ATOM 581 CD2 PHE A 43 -3.653 -3.030 -2.513 1.00 0.00 C ATOM 582 CE1 PHE A 43 -5.762 -2.239 -0.935 1.00 0.00 C ATOM 583 CE2 PHE A 43 -4.712 -2.249 -3.044 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.745 -1.869 -2.244 1.00 0.00 C ATOM 0 H PHE A 43 -0.600 -3.098 -1.915 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.761 -2.790 0.808 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.113 -4.862 -1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.932 -4.920 0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.717 -3.315 0.635 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.833 -3.331 -3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.582 -1.938 -0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.698 -1.956 -4.083 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.551 -1.274 -2.648 1.00 0.00 H new ATOM 594 N VAL A 44 -0.662 -4.922 1.729 1.00 0.00 N ATOM 595 CA VAL A 44 0.245 -5.846 2.388 1.00 0.00 C ATOM 596 C VAL A 44 -0.039 -7.268 1.900 1.00 0.00 C ATOM 597 O VAL A 44 -1.001 -7.898 2.337 1.00 0.00 O ATOM 598 CB VAL A 44 0.127 -5.701 3.907 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.811 -6.866 4.624 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.695 -4.359 4.375 1.00 0.00 C ATOM 0 H VAL A 44 -1.532 -4.746 2.232 1.00 0.00 H new ATOM 0 HA VAL A 44 1.279 -5.614 2.132 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.932 -5.725 4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.712 -6.738 5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.341 -7.803 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.867 -6.888 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.599 -4.281 5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.747 -4.293 4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.144 -3.546 3.902 1.00 0.00 H new ATOM 610 N LYS A 45 0.816 -7.732 1.001 1.00 0.00 N ATOM 611 CA LYS A 45 0.669 -9.068 0.448 1.00 0.00 C ATOM 612 C LYS A 45 0.688 -10.091 1.586 1.00 0.00 C ATOM 613 O LYS A 45 -0.084 -11.048 1.578 1.00 0.00 O ATOM 614 CB LYS A 45 1.729 -9.323 -0.625 1.00 0.00 C ATOM 615 CG LYS A 45 1.673 -10.771 -1.118 1.00 0.00 C ATOM 616 CD LYS A 45 0.382 -11.036 -1.895 1.00 0.00 C ATOM 617 CE LYS A 45 0.476 -12.342 -2.686 1.00 0.00 C ATOM 618 NZ LYS A 45 0.758 -12.064 -4.113 1.00 0.00 N ATOM 0 H LYS A 45 1.613 -7.207 0.642 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.292 -9.168 -0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.574 -8.643 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.719 -9.111 -0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.534 -10.976 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.736 -11.451 -0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.459 -11.085 -1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.187 -10.208 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.263 -12.971 -2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.457 -12.897 -2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.819 -12.961 -4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.007 -11.482 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.660 -11.553 -4.195 1.00 0.00 H new ATOM 632 N THR A 46 1.579 -9.853 2.538 1.00 0.00 N ATOM 633 CA THR A 46 1.708 -10.741 3.680 1.00 0.00 C ATOM 634 C THR A 46 2.632 -10.125 4.733 1.00 0.00 C ATOM 635 O THR A 46 3.279 -9.111 4.479 1.00 0.00 O ATOM 636 CB THR A 46 2.191 -12.101 3.170 1.00 0.00 C ATOM 637 OG1 THR A 46 2.355 -12.878 4.353 1.00 0.00 O ATOM 638 CG2 THR A 46 3.596 -12.036 2.569 1.00 0.00 C ATOM 0 H THR A 46 2.218 -9.058 2.541 1.00 0.00 H new ATOM 0 HA THR A 46 0.749 -10.886 4.178 1.00 0.00 H new ATOM 0 HB THR A 46 1.493 -12.476 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.665 -13.776 4.114 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.890 -13.027 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.600 -11.342 1.729 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.300 -11.693 3.327 1.00 0.00 H new ATOM 646 N VAL A 47 2.663 -10.764 5.893 1.00 0.00 N ATOM 647 CA VAL A 47 3.497 -10.292 6.986 1.00 0.00 C ATOM 648 C VAL A 47 4.390 -11.435 7.471 1.00 0.00 C ATOM 649 O VAL A 47 3.895 -12.475 7.902 1.00 0.00 O ATOM 650 CB VAL A 47 2.622 -9.705 8.095 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.466 -9.313 9.310 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.813 -8.511 7.582 1.00 0.00 C ATOM 0 H VAL A 47 2.124 -11.605 6.100 1.00 0.00 H new ATOM 0 HA VAL A 47 4.152 -9.489 6.648 1.00 0.00 H new ATOM 0 HB VAL A 47 1.919 -10.476 8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.820 -8.898 10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.977 -10.194 9.698 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.204 -8.567 9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.200 -8.113 8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.493 -7.737 7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.170 -8.832 6.763 1.00 0.00 H new ATOM 662 N THR A 48 5.692 -11.203 7.384 1.00 0.00 N ATOM 663 CA THR A 48 6.659 -12.201 7.809 1.00 0.00 C ATOM 664 C THR A 48 6.317 -12.713 9.209 1.00 0.00 C ATOM 665 O THR A 48 6.008 -11.927 10.104 1.00 0.00 O ATOM 666 CB THR A 48 8.054 -11.578 7.714 1.00 0.00 C ATOM 667 OG1 THR A 48 8.350 -11.600 6.320 1.00 0.00 O ATOM 668 CG2 THR A 48 9.134 -12.462 8.339 1.00 0.00 C ATOM 0 H THR A 48 6.099 -10.339 7.026 1.00 0.00 H new ATOM 0 HA THR A 48 6.633 -13.077 7.161 1.00 0.00 H new ATOM 0 HB THR A 48 8.051 -10.606 8.207 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.237 -11.212 6.168 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.104 -11.973 8.245 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.909 -12.621 9.394 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.160 -13.423 7.825 1.00 0.00 H new ATOM 676 N GLU A 49 6.384 -14.028 9.356 1.00 0.00 N ATOM 677 CA GLU A 49 6.085 -14.654 10.633 1.00 0.00 C ATOM 678 C GLU A 49 7.203 -14.371 11.638 1.00 0.00 C ATOM 679 O GLU A 49 8.278 -14.965 11.561 1.00 0.00 O ATOM 680 CB GLU A 49 5.865 -16.159 10.467 1.00 0.00 C ATOM 681 CG GLU A 49 4.911 -16.696 11.536 1.00 0.00 C ATOM 682 CD GLU A 49 4.683 -18.199 11.363 1.00 0.00 C ATOM 683 OE1 GLU A 49 5.672 -18.945 11.525 1.00 0.00 O ATOM 684 OE2 GLU A 49 3.524 -18.567 11.072 1.00 0.00 O ATOM 0 H GLU A 49 6.641 -14.677 8.612 1.00 0.00 H new ATOM 0 HA GLU A 49 5.160 -14.225 11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.459 -16.363 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.821 -16.679 10.533 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.321 -16.498 12.526 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.958 -16.171 11.475 1.00 0.00 H new ATOM 691 N GLY A 50 6.912 -13.463 12.558 1.00 0.00 N ATOM 692 CA GLY A 50 7.879 -13.094 13.577 1.00 0.00 C ATOM 693 C GLY A 50 8.660 -11.845 13.165 1.00 0.00 C ATOM 694 O GLY A 50 9.793 -11.645 13.600 1.00 0.00 O ATOM 0 H GLY A 50 6.020 -12.972 12.619 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.366 -12.911 14.521 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.570 -13.920 13.744 1.00 0.00 H new ATOM 698 N GLY A 51 8.024 -11.036 12.330 1.00 0.00 N ATOM 699 CA GLY A 51 8.645 -9.812 11.854 1.00 0.00 C ATOM 700 C GLY A 51 8.266 -8.624 12.741 1.00 0.00 C ATOM 701 O GLY A 51 7.400 -8.743 13.607 1.00 0.00 O ATOM 0 H GLY A 51 7.084 -11.205 11.971 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.728 -9.930 11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.334 -9.618 10.827 1.00 0.00 H new ATOM 705 N ALA A 52 8.934 -7.507 12.496 1.00 0.00 N ATOM 706 CA ALA A 52 8.678 -6.299 13.261 1.00 0.00 C ATOM 707 C ALA A 52 7.203 -5.917 13.127 1.00 0.00 C ATOM 708 O ALA A 52 6.502 -5.772 14.127 1.00 0.00 O ATOM 709 CB ALA A 52 9.614 -5.185 12.786 1.00 0.00 C ATOM 0 H ALA A 52 9.653 -7.413 11.778 1.00 0.00 H new ATOM 0 HA ALA A 52 8.880 -6.466 14.319 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.422 -4.279 13.360 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.649 -5.493 12.931 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.438 -4.989 11.728 1.00 0.00 H new ATOM 715 N ALA A 53 6.775 -5.766 11.882 1.00 0.00 N ATOM 716 CA ALA A 53 5.395 -5.404 11.604 1.00 0.00 C ATOM 717 C ALA A 53 4.463 -6.430 12.252 1.00 0.00 C ATOM 718 O ALA A 53 3.453 -6.065 12.852 1.00 0.00 O ATOM 719 CB ALA A 53 5.189 -5.303 10.091 1.00 0.00 C ATOM 0 H ALA A 53 7.359 -5.888 11.055 1.00 0.00 H new ATOM 0 HA ALA A 53 5.160 -4.429 12.031 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.154 -5.032 9.882 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.853 -4.541 9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.412 -6.264 9.628 1.00 0.00 H new ATOM 725 N GLN A 54 4.834 -7.694 12.108 1.00 0.00 N ATOM 726 CA GLN A 54 4.044 -8.775 12.672 1.00 0.00 C ATOM 727 C GLN A 54 3.926 -8.611 14.188 1.00 0.00 C ATOM 728 O GLN A 54 2.821 -8.539 14.724 1.00 0.00 O ATOM 729 CB GLN A 54 4.642 -10.136 12.312 1.00 0.00 C ATOM 730 CG GLN A 54 3.582 -11.237 12.383 1.00 0.00 C ATOM 731 CD GLN A 54 3.522 -11.851 13.784 1.00 0.00 C ATOM 732 OE1 GLN A 54 3.723 -11.189 14.789 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.234 -13.149 13.793 1.00 0.00 N ATOM 0 H GLN A 54 5.671 -7.993 11.609 1.00 0.00 H new ATOM 0 HA GLN A 54 3.043 -8.730 12.243 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.065 -10.097 11.308 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.460 -10.369 12.993 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.607 -10.826 12.120 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.809 -12.013 11.651 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.077 -13.643 12.914 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.170 -13.651 14.679 1.00 0.00 H new ATOM 742 N ARG A 55 5.080 -8.557 14.837 1.00 0.00 N ATOM 743 CA ARG A 55 5.120 -8.403 16.282 1.00 0.00 C ATOM 744 C ARG A 55 4.110 -7.344 16.730 1.00 0.00 C ATOM 745 O ARG A 55 3.425 -7.521 17.736 1.00 0.00 O ATOM 746 CB ARG A 55 6.517 -7.998 16.754 1.00 0.00 C ATOM 747 CG ARG A 55 7.453 -9.208 16.798 1.00 0.00 C ATOM 748 CD ARG A 55 8.323 -9.182 18.057 1.00 0.00 C ATOM 749 NE ARG A 55 9.473 -8.272 17.858 1.00 0.00 N ATOM 750 CZ ARG A 55 10.348 -7.946 18.819 1.00 0.00 C ATOM 751 NH1 ARG A 55 10.210 -8.455 20.051 1.00 0.00 N ATOM 752 NH2 ARG A 55 11.361 -7.112 18.548 1.00 0.00 N ATOM 0 H ARG A 55 5.994 -8.617 14.389 1.00 0.00 H new ATOM 0 HA ARG A 55 4.864 -9.365 16.726 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.926 -7.242 16.084 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.454 -7.546 17.744 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.867 -10.127 16.775 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.088 -9.213 15.912 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.731 -8.853 18.911 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.679 -10.187 18.284 1.00 0.00 H new ATOM 0 HE ARG A 55 9.608 -7.868 16.931 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.439 -9.090 20.257 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.876 -8.207 20.783 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.466 -6.725 17.610 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.027 -6.864 19.280 1.00 0.00 H new ATOM 766 N ASP A 56 4.051 -6.265 15.963 1.00 0.00 N ATOM 767 CA ASP A 56 3.138 -5.178 16.269 1.00 0.00 C ATOM 768 C ASP A 56 1.705 -5.713 16.293 1.00 0.00 C ATOM 769 O ASP A 56 0.995 -5.554 17.285 1.00 0.00 O ATOM 770 CB ASP A 56 3.214 -4.079 15.207 1.00 0.00 C ATOM 771 CG ASP A 56 2.689 -2.713 15.652 1.00 0.00 C ATOM 772 OD1 ASP A 56 1.641 -2.702 16.333 1.00 0.00 O ATOM 773 OD2 ASP A 56 3.347 -1.710 15.301 1.00 0.00 O ATOM 0 H ASP A 56 4.621 -6.121 15.130 1.00 0.00 H new ATOM 0 HA ASP A 56 3.419 -4.764 17.237 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.252 -3.968 14.894 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.650 -4.401 14.332 1.00 0.00 H new ATOM 778 N GLY A 57 1.321 -6.337 15.188 1.00 0.00 N ATOM 779 CA GLY A 57 -0.015 -6.896 15.070 1.00 0.00 C ATOM 780 C GLY A 57 -0.959 -5.918 14.370 1.00 0.00 C ATOM 781 O GLY A 57 -1.999 -6.318 13.848 1.00 0.00 O ATOM 0 H GLY A 57 1.912 -6.467 14.367 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.026 -7.831 14.511 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.402 -7.134 16.061 1.00 0.00 H new ATOM 785 N ARG A 58 -0.564 -4.653 14.380 1.00 0.00 N ATOM 786 CA ARG A 58 -1.362 -3.614 13.753 1.00 0.00 C ATOM 787 C ARG A 58 -1.440 -3.844 12.242 1.00 0.00 C ATOM 788 O ARG A 58 -2.519 -4.084 11.702 1.00 0.00 O ATOM 789 CB ARG A 58 -0.771 -2.228 14.020 1.00 0.00 C ATOM 790 CG ARG A 58 -1.329 -1.636 15.316 1.00 0.00 C ATOM 791 CD ARG A 58 -2.845 -1.828 15.399 1.00 0.00 C ATOM 792 NE ARG A 58 -3.442 -1.731 14.049 1.00 0.00 N ATOM 793 CZ ARG A 58 -4.687 -2.124 13.748 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.474 -2.643 14.700 1.00 0.00 N ATOM 795 NH2 ARG A 58 -5.146 -1.998 12.496 1.00 0.00 N ATOM 0 H ARG A 58 0.299 -4.324 14.813 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.362 -3.659 14.184 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.315 -2.298 14.086 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.998 -1.565 13.185 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.851 -2.112 16.172 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.090 -0.574 15.367 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.073 -2.799 15.838 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.280 -1.073 16.053 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.870 -1.340 13.300 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.125 -2.739 15.654 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.422 -2.942 14.471 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.548 -1.603 11.771 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.094 -2.297 12.268 1.00 0.00 H new ATOM 809 N ILE A 59 -0.282 -3.764 11.603 1.00 0.00 N ATOM 810 CA ILE A 59 -0.206 -3.960 10.165 1.00 0.00 C ATOM 811 C ILE A 59 -0.513 -5.423 9.838 1.00 0.00 C ATOM 812 O ILE A 59 0.325 -6.299 10.047 1.00 0.00 O ATOM 813 CB ILE A 59 1.145 -3.481 9.630 1.00 0.00 C ATOM 814 CG1 ILE A 59 1.300 -1.969 9.807 1.00 0.00 C ATOM 815 CG2 ILE A 59 1.342 -3.911 8.175 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.709 -1.615 10.287 1.00 0.00 C ATOM 0 H ILE A 59 0.611 -3.566 12.054 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.957 -3.355 9.657 1.00 0.00 H new ATOM 0 HB ILE A 59 1.932 -3.956 10.216 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.097 -1.466 8.862 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.565 -1.606 10.526 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.310 -3.558 7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.306 -4.998 8.109 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.551 -3.483 7.559 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.793 -0.535 10.405 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.900 -2.100 11.244 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.440 -1.958 9.554 1.00 0.00 H new ATOM 828 N GLN A 60 -1.717 -5.642 9.330 1.00 0.00 N ATOM 829 CA GLN A 60 -2.146 -6.983 8.971 1.00 0.00 C ATOM 830 C GLN A 60 -2.050 -7.184 7.457 1.00 0.00 C ATOM 831 O GLN A 60 -1.823 -6.231 6.714 1.00 0.00 O ATOM 832 CB GLN A 60 -3.565 -7.257 9.472 1.00 0.00 C ATOM 833 CG GLN A 60 -3.879 -6.421 10.714 1.00 0.00 C ATOM 834 CD GLN A 60 -4.826 -7.170 11.655 1.00 0.00 C ATOM 835 OE1 GLN A 60 -5.437 -8.164 11.299 1.00 0.00 O ATOM 836 NE2 GLN A 60 -4.913 -6.639 12.871 1.00 0.00 N ATOM 0 H GLN A 60 -2.409 -4.913 9.158 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.481 -7.698 9.455 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.283 -7.028 8.684 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.674 -8.316 9.705 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.954 -6.181 11.239 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.331 -5.475 10.415 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.374 -5.805 13.103 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.519 -7.066 13.572 1.00 0.00 H new ATOM 845 N VAL A 61 -2.228 -8.431 7.046 1.00 0.00 N ATOM 846 CA VAL A 61 -2.164 -8.769 5.634 1.00 0.00 C ATOM 847 C VAL A 61 -3.386 -8.188 4.920 1.00 0.00 C ATOM 848 O VAL A 61 -4.457 -8.067 5.512 1.00 0.00 O ATOM 849 CB VAL A 61 -2.038 -10.285 5.465 1.00 0.00 C ATOM 850 CG1 VAL A 61 -2.191 -10.686 3.996 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.712 -10.791 6.036 1.00 0.00 C ATOM 0 H VAL A 61 -2.416 -9.219 7.665 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.279 -8.329 5.175 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.846 -10.754 6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.097 -11.768 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.170 -10.374 3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.414 -10.202 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.647 -11.871 5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.116 -10.311 5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.658 -10.552 7.098 1.00 0.00 H new ATOM 861 N ASN A 62 -3.184 -7.843 3.656 1.00 0.00 N ATOM 862 CA ASN A 62 -4.255 -7.277 2.855 1.00 0.00 C ATOM 863 C ASN A 62 -4.454 -5.809 3.240 1.00 0.00 C ATOM 864 O ASN A 62 -5.326 -5.134 2.696 1.00 0.00 O ATOM 865 CB ASN A 62 -5.574 -8.012 3.100 1.00 0.00 C ATOM 866 CG ASN A 62 -5.359 -9.527 3.132 1.00 0.00 C ATOM 867 OD1 ASN A 62 -5.148 -10.172 2.119 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.424 -10.056 4.351 1.00 0.00 N ATOM 0 H ASN A 62 -2.294 -7.945 3.168 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.977 -7.374 1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.008 -7.683 4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.287 -7.759 2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.294 -11.059 4.479 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.604 -9.458 5.157 1.00 0.00 H new ATOM 875 N ASP A 63 -3.631 -5.359 4.175 1.00 0.00 N ATOM 876 CA ASP A 63 -3.705 -3.984 4.640 1.00 0.00 C ATOM 877 C ASP A 63 -3.338 -3.042 3.491 1.00 0.00 C ATOM 878 O ASP A 63 -2.875 -3.487 2.442 1.00 0.00 O ATOM 879 CB ASP A 63 -2.723 -3.736 5.786 1.00 0.00 C ATOM 880 CG ASP A 63 -3.264 -4.058 7.181 1.00 0.00 C ATOM 881 OD1 ASP A 63 -4.295 -4.762 7.242 1.00 0.00 O ATOM 882 OD2 ASP A 63 -2.634 -3.592 8.155 1.00 0.00 O ATOM 0 H ASP A 63 -2.909 -5.922 4.624 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.721 -3.801 4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.828 -4.333 5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.418 -2.690 5.763 1.00 0.00 H new ATOM 887 N GLN A 64 -3.559 -1.758 3.728 1.00 0.00 N ATOM 888 CA GLN A 64 -3.258 -0.749 2.727 1.00 0.00 C ATOM 889 C GLN A 64 -2.417 0.373 3.340 1.00 0.00 C ATOM 890 O GLN A 64 -2.897 1.119 4.192 1.00 0.00 O ATOM 891 CB GLN A 64 -4.540 -0.195 2.103 1.00 0.00 C ATOM 892 CG GLN A 64 -4.224 0.708 0.909 1.00 0.00 C ATOM 893 CD GLN A 64 -5.371 1.685 0.641 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.467 1.552 1.159 1.00 0.00 O ATOM 895 NE2 GLN A 64 -5.057 2.671 -0.194 1.00 0.00 N ATOM 0 H GLN A 64 -3.943 -1.393 4.599 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.679 -1.217 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.177 -1.019 1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.099 0.368 2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.306 1.263 1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.047 0.097 0.024 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.119 2.723 -0.592 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.754 3.375 -0.436 1.00 0.00 H new ATOM 904 N ILE A 65 -1.176 0.456 2.882 1.00 0.00 N ATOM 905 CA ILE A 65 -0.264 1.475 3.375 1.00 0.00 C ATOM 906 C ILE A 65 -0.531 2.790 2.642 1.00 0.00 C ATOM 907 O ILE A 65 0.089 3.072 1.618 1.00 0.00 O ATOM 908 CB ILE A 65 1.184 0.994 3.267 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.404 -0.275 4.094 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.161 2.106 3.653 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.267 -1.283 3.333 1.00 0.00 C ATOM 0 H ILE A 65 -0.781 -0.165 2.176 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.436 1.660 4.435 1.00 0.00 H new ATOM 0 HB ILE A 65 1.382 0.738 2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.885 -0.019 5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.442 -0.726 4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.183 1.738 3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.025 2.957 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.972 2.416 4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.408 -2.175 3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.772 -1.555 2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.237 -0.838 3.112 1.00 0.00 H new ATOM 923 N VAL A 66 -1.456 3.562 3.194 1.00 0.00 N ATOM 924 CA VAL A 66 -1.813 4.841 2.606 1.00 0.00 C ATOM 925 C VAL A 66 -0.610 5.783 2.675 1.00 0.00 C ATOM 926 O VAL A 66 -0.351 6.536 1.737 1.00 0.00 O ATOM 927 CB VAL A 66 -3.056 5.407 3.297 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.491 6.723 2.650 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.198 4.389 3.290 1.00 0.00 C ATOM 0 H VAL A 66 -1.969 3.325 4.043 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.070 4.718 1.554 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.798 5.614 4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.376 7.104 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.684 7.452 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.723 6.552 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.069 4.816 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.454 4.137 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.885 3.488 3.817 1.00 0.00 H new ATOM 939 N GLU A 67 0.095 5.710 3.795 1.00 0.00 N ATOM 940 CA GLU A 67 1.265 6.547 3.999 1.00 0.00 C ATOM 941 C GLU A 67 2.315 5.800 4.823 1.00 0.00 C ATOM 942 O GLU A 67 1.991 4.847 5.531 1.00 0.00 O ATOM 943 CB GLU A 67 0.883 7.870 4.666 1.00 0.00 C ATOM 944 CG GLU A 67 2.081 8.481 5.397 1.00 0.00 C ATOM 945 CD GLU A 67 1.685 9.772 6.115 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.398 10.755 5.397 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.677 9.748 7.364 1.00 0.00 O ATOM 0 H GLU A 67 -0.122 5.084 4.570 1.00 0.00 H new ATOM 0 HA GLU A 67 1.695 6.780 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.517 8.568 3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.068 7.704 5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.475 7.765 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.880 8.687 4.685 1.00 0.00 H new ATOM 954 N VAL A 68 3.552 6.260 4.705 1.00 0.00 N ATOM 955 CA VAL A 68 4.651 5.647 5.430 1.00 0.00 C ATOM 956 C VAL A 68 5.644 6.731 5.854 1.00 0.00 C ATOM 957 O VAL A 68 6.234 7.402 5.009 1.00 0.00 O ATOM 958 CB VAL A 68 5.292 4.549 4.579 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.809 4.732 4.499 1.00 0.00 C ATOM 960 CG2 VAL A 68 4.935 3.161 5.115 1.00 0.00 C ATOM 0 H VAL A 68 3.817 7.051 4.118 1.00 0.00 H new ATOM 0 HA VAL A 68 4.288 5.165 6.338 1.00 0.00 H new ATOM 0 HB VAL A 68 4.891 4.632 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.240 3.938 3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.036 5.699 4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.234 4.689 5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.403 2.399 4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.294 3.063 6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.853 3.031 5.096 1.00 0.00 H new ATOM 970 N ASP A 69 5.799 6.868 7.163 1.00 0.00 N ATOM 971 CA ASP A 69 6.710 7.859 7.709 1.00 0.00 C ATOM 972 C ASP A 69 6.372 9.233 7.127 1.00 0.00 C ATOM 973 O ASP A 69 7.205 10.137 7.136 1.00 0.00 O ATOM 974 CB ASP A 69 8.160 7.534 7.343 1.00 0.00 C ATOM 975 CG ASP A 69 9.017 7.014 8.499 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.693 7.372 9.652 1.00 0.00 O ATOM 977 OD2 ASP A 69 9.978 6.271 8.202 1.00 0.00 O ATOM 0 H ASP A 69 5.309 6.309 7.861 1.00 0.00 H new ATOM 0 HA ASP A 69 6.602 7.855 8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.160 6.789 6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.627 8.432 6.939 1.00 0.00 H new ATOM 982 N GLY A 70 5.147 9.346 6.634 1.00 0.00 N ATOM 983 CA GLY A 70 4.688 10.594 6.049 1.00 0.00 C ATOM 984 C GLY A 70 4.567 10.474 4.528 1.00 0.00 C ATOM 985 O GLY A 70 3.766 11.174 3.909 1.00 0.00 O ATOM 0 H GLY A 70 4.459 8.593 6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.722 10.866 6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.383 11.395 6.300 1.00 0.00 H new ATOM 989 N ILE A 71 5.373 9.583 3.970 1.00 0.00 N ATOM 990 CA ILE A 71 5.366 9.363 2.534 1.00 0.00 C ATOM 991 C ILE A 71 4.034 8.729 2.126 1.00 0.00 C ATOM 992 O ILE A 71 3.551 7.812 2.788 1.00 0.00 O ATOM 993 CB ILE A 71 6.590 8.549 2.111 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.877 9.354 2.304 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.441 8.042 0.675 1.00 0.00 C ATOM 996 CD1 ILE A 71 9.103 8.531 1.903 1.00 0.00 C ATOM 0 H ILE A 71 6.036 9.005 4.487 1.00 0.00 H new ATOM 0 HA ILE A 71 5.444 10.312 2.003 1.00 0.00 H new ATOM 0 HB ILE A 71 6.658 7.673 2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.834 10.264 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.965 9.661 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.324 7.466 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.557 7.408 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.335 8.890 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.004 9.126 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.156 7.634 2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.023 8.246 0.854 1.00 0.00 H new ATOM 1008 N SER A 72 3.480 9.242 1.038 1.00 0.00 N ATOM 1009 CA SER A 72 2.214 8.737 0.534 1.00 0.00 C ATOM 1010 C SER A 72 2.463 7.634 -0.496 1.00 0.00 C ATOM 1011 O SER A 72 3.135 7.858 -1.501 1.00 0.00 O ATOM 1012 CB SER A 72 1.379 9.861 -0.084 1.00 0.00 C ATOM 1013 OG SER A 72 2.126 11.067 -0.222 1.00 0.00 O ATOM 0 H SER A 72 3.884 10.002 0.491 1.00 0.00 H new ATOM 0 HA SER A 72 1.653 8.323 1.372 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.015 9.546 -1.062 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.503 10.046 0.538 1.00 0.00 H new ATOM 0 HG SER A 72 1.559 11.759 -0.621 1.00 0.00 H new ATOM 1019 N LEU A 73 1.909 6.465 -0.210 1.00 0.00 N ATOM 1020 CA LEU A 73 2.063 5.326 -1.098 1.00 0.00 C ATOM 1021 C LEU A 73 0.755 5.098 -1.860 1.00 0.00 C ATOM 1022 O LEU A 73 0.358 3.958 -2.093 1.00 0.00 O ATOM 1023 CB LEU A 73 2.542 4.099 -0.319 1.00 0.00 C ATOM 1024 CG LEU A 73 3.758 4.311 0.584 1.00 0.00 C ATOM 1025 CD1 LEU A 73 4.161 3.008 1.276 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.920 4.929 -0.197 1.00 0.00 C ATOM 0 H LEU A 73 1.352 6.282 0.625 1.00 0.00 H new ATOM 0 HA LEU A 73 2.835 5.525 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.717 3.738 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.777 3.309 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 73 3.483 5.019 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.028 3.187 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.332 2.648 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.411 2.259 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.772 5.069 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.203 4.265 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.614 5.893 -0.603 1.00 0.00 H new ATOM 1038 N VAL A 74 0.122 6.203 -2.228 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.132 6.138 -2.959 1.00 0.00 C ATOM 1040 C VAL A 74 -0.900 6.592 -4.402 1.00 0.00 C ATOM 1041 O VAL A 74 -0.164 7.546 -4.645 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.201 6.962 -2.238 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -3.468 7.081 -3.087 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -2.516 6.368 -0.863 1.00 0.00 C ATOM 0 H VAL A 74 0.454 7.148 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.500 5.113 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.804 7.966 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.211 7.671 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.229 7.570 -4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.868 6.087 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.279 6.972 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.882 5.348 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.612 6.360 -0.254 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.543 5.886 -5.320 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.417 6.204 -6.733 1.00 0.00 C ATOM 1056 C GLY A 75 0.052 6.226 -7.160 1.00 0.00 C ATOM 1057 O GLY A 75 0.482 7.134 -7.870 1.00 0.00 O ATOM 0 H GLY A 75 -2.153 5.095 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.961 5.468 -7.325 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.872 7.174 -6.933 1.00 0.00 H new ATOM 1061 N VAL A 76 0.782 5.216 -6.710 1.00 0.00 N ATOM 1062 CA VAL A 76 2.193 5.108 -7.037 1.00 0.00 C ATOM 1063 C VAL A 76 2.519 3.657 -7.399 1.00 0.00 C ATOM 1064 O VAL A 76 1.870 2.732 -6.913 1.00 0.00 O ATOM 1065 CB VAL A 76 3.041 5.640 -5.880 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.533 7.005 -5.410 1.00 0.00 C ATOM 1067 CG2 VAL A 76 3.077 4.640 -4.722 1.00 0.00 C ATOM 0 H VAL A 76 0.422 4.465 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 76 2.431 5.721 -7.906 1.00 0.00 H new ATOM 0 HB VAL A 76 4.060 5.769 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.153 7.360 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.583 7.716 -6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.501 6.913 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.686 5.042 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.064 4.465 -4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.507 3.700 -5.067 1.00 0.00 H new ATOM 1077 N THR A 77 3.523 3.504 -8.249 1.00 0.00 N ATOM 1078 CA THR A 77 3.943 2.182 -8.681 1.00 0.00 C ATOM 1079 C THR A 77 4.582 1.419 -7.520 1.00 0.00 C ATOM 1080 O THR A 77 5.303 2.001 -6.711 1.00 0.00 O ATOM 1081 CB THR A 77 4.875 2.351 -9.883 1.00 0.00 C ATOM 1082 OG1 THR A 77 5.242 1.018 -10.228 1.00 0.00 O ATOM 1083 CG2 THR A 77 6.200 3.018 -9.507 1.00 0.00 C ATOM 0 H THR A 77 4.058 4.274 -8.650 1.00 0.00 H new ATOM 0 HA THR A 77 3.090 1.579 -8.994 1.00 0.00 H new ATOM 0 HB THR A 77 4.375 2.944 -10.649 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.845 1.034 -11.000 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.824 3.114 -10.396 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.005 4.007 -9.092 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.716 2.409 -8.765 1.00 0.00 H new ATOM 1091 N GLN A 78 4.294 0.126 -7.474 1.00 0.00 N ATOM 1092 CA GLN A 78 4.832 -0.723 -6.424 1.00 0.00 C ATOM 1093 C GLN A 78 6.285 -0.346 -6.128 1.00 0.00 C ATOM 1094 O GLN A 78 6.703 -0.331 -4.972 1.00 0.00 O ATOM 1095 CB GLN A 78 4.715 -2.201 -6.802 1.00 0.00 C ATOM 1096 CG GLN A 78 5.047 -3.100 -5.608 1.00 0.00 C ATOM 1097 CD GLN A 78 5.733 -4.388 -6.066 1.00 0.00 C ATOM 1098 OE1 GLN A 78 5.160 -5.217 -6.755 1.00 0.00 O ATOM 1099 NE2 GLN A 78 6.989 -4.511 -5.646 1.00 0.00 N ATOM 0 H GLN A 78 3.696 -0.354 -8.146 1.00 0.00 H new ATOM 0 HA GLN A 78 4.245 -0.565 -5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.704 -2.412 -7.151 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.390 -2.423 -7.628 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.696 -2.565 -4.915 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.133 -3.343 -5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.409 -3.780 -5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.533 -5.336 -5.898 1.00 0.00 H new ATOM 1108 N ASN A 79 7.015 -0.050 -7.194 1.00 0.00 N ATOM 1109 CA ASN A 79 8.412 0.327 -7.062 1.00 0.00 C ATOM 1110 C ASN A 79 8.538 1.450 -6.031 1.00 0.00 C ATOM 1111 O ASN A 79 9.244 1.305 -5.033 1.00 0.00 O ATOM 1112 CB ASN A 79 8.971 0.840 -8.391 1.00 0.00 C ATOM 1113 CG ASN A 79 10.292 0.148 -8.734 1.00 0.00 C ATOM 1114 OD1 ASN A 79 10.375 -0.679 -9.627 1.00 0.00 O ATOM 1115 ND2 ASN A 79 11.316 0.530 -7.976 1.00 0.00 N ATOM 0 H ASN A 79 6.665 -0.064 -8.152 1.00 0.00 H new ATOM 0 HA ASN A 79 8.972 -0.555 -6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.247 0.664 -9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.125 1.917 -8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.240 0.125 -8.126 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.177 1.228 -7.245 1.00 0.00 H new ATOM 1122 N PHE A 80 7.844 2.544 -6.307 1.00 0.00 N ATOM 1123 CA PHE A 80 7.870 3.691 -5.415 1.00 0.00 C ATOM 1124 C PHE A 80 7.718 3.255 -3.956 1.00 0.00 C ATOM 1125 O PHE A 80 8.557 3.578 -3.117 1.00 0.00 O ATOM 1126 CB PHE A 80 6.685 4.580 -5.795 1.00 0.00 C ATOM 1127 CG PHE A 80 6.466 5.763 -4.850 1.00 0.00 C ATOM 1128 CD1 PHE A 80 5.694 5.613 -3.741 1.00 0.00 C ATOM 1129 CD2 PHE A 80 7.042 6.965 -5.120 1.00 0.00 C ATOM 1130 CE1 PHE A 80 5.490 6.711 -2.864 1.00 0.00 C ATOM 1131 CE2 PHE A 80 6.839 8.063 -4.243 1.00 0.00 C ATOM 1132 CZ PHE A 80 6.067 7.913 -3.133 1.00 0.00 C ATOM 0 H PHE A 80 7.260 2.661 -7.135 1.00 0.00 H new ATOM 0 HA PHE A 80 8.820 4.216 -5.512 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.838 4.959 -6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.780 3.972 -5.816 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.236 4.659 -3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.654 7.084 -6.002 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.877 6.592 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.297 9.017 -4.457 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.912 8.748 -2.466 1.00 0.00 H new ATOM 1142 N ALA A 81 6.641 2.528 -3.699 1.00 0.00 N ATOM 1143 CA ALA A 81 6.368 2.044 -2.356 1.00 0.00 C ATOM 1144 C ALA A 81 7.577 1.256 -1.847 1.00 0.00 C ATOM 1145 O ALA A 81 8.028 1.464 -0.722 1.00 0.00 O ATOM 1146 CB ALA A 81 5.088 1.206 -2.365 1.00 0.00 C ATOM 0 H ALA A 81 5.947 2.262 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 81 6.207 2.878 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.884 0.843 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.254 1.819 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.213 0.358 -3.038 1.00 0.00 H new ATOM 1152 N ALA A 82 8.066 0.368 -2.700 1.00 0.00 N ATOM 1153 CA ALA A 82 9.214 -0.451 -2.350 1.00 0.00 C ATOM 1154 C ALA A 82 10.377 0.455 -1.942 1.00 0.00 C ATOM 1155 O ALA A 82 11.059 0.189 -0.953 1.00 0.00 O ATOM 1156 CB ALA A 82 9.569 -1.362 -3.528 1.00 0.00 C ATOM 0 H ALA A 82 7.688 0.198 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 82 8.983 -1.092 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.430 -1.977 -3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.720 -2.006 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.810 -0.753 -4.399 1.00 0.00 H new ATOM 1162 N THR A 83 10.569 1.506 -2.725 1.00 0.00 N ATOM 1163 CA THR A 83 11.638 2.453 -2.458 1.00 0.00 C ATOM 1164 C THR A 83 11.426 3.127 -1.101 1.00 0.00 C ATOM 1165 O THR A 83 12.348 3.200 -0.289 1.00 0.00 O ATOM 1166 CB THR A 83 11.697 3.441 -3.624 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.065 2.637 -4.742 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.848 4.440 -3.488 1.00 0.00 C ATOM 0 H THR A 83 10.002 1.723 -3.545 1.00 0.00 H new ATOM 0 HA THR A 83 12.603 1.951 -2.390 1.00 0.00 H new ATOM 0 HB THR A 83 10.753 3.982 -3.689 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.280 2.147 -5.065 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.844 5.118 -4.342 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.726 5.013 -2.569 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.795 3.902 -3.457 1.00 0.00 H new ATOM 1176 N VAL A 84 10.207 3.604 -0.896 1.00 0.00 N ATOM 1177 CA VAL A 84 9.863 4.270 0.349 1.00 0.00 C ATOM 1178 C VAL A 84 10.177 3.340 1.523 1.00 0.00 C ATOM 1179 O VAL A 84 10.934 3.704 2.421 1.00 0.00 O ATOM 1180 CB VAL A 84 8.400 4.717 0.315 1.00 0.00 C ATOM 1181 CG1 VAL A 84 7.964 5.268 1.675 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.167 5.746 -0.793 1.00 0.00 C ATOM 0 H VAL A 84 9.445 3.543 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 84 10.462 5.171 0.479 1.00 0.00 H new ATOM 0 HB VAL A 84 7.787 3.843 0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.920 5.579 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.075 4.494 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.585 6.125 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.119 6.047 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.795 6.619 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.420 5.306 -1.757 1.00 0.00 H new ATOM 1192 N LEU A 85 9.580 2.159 1.477 1.00 0.00 N ATOM 1193 CA LEU A 85 9.786 1.175 2.526 1.00 0.00 C ATOM 1194 C LEU A 85 11.287 0.953 2.723 1.00 0.00 C ATOM 1195 O LEU A 85 11.723 0.559 3.804 1.00 0.00 O ATOM 1196 CB LEU A 85 9.011 -0.108 2.218 1.00 0.00 C ATOM 1197 CG LEU A 85 7.494 0.042 2.081 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.868 -1.228 1.500 1.00 0.00 C ATOM 1199 CD2 LEU A 85 6.859 0.435 3.416 1.00 0.00 C ATOM 0 H LEU A 85 8.953 1.861 0.730 1.00 0.00 H new ATOM 0 HA LEU A 85 9.389 1.540 3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.400 -0.530 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.215 -0.831 3.008 1.00 0.00 H new ATOM 0 HG LEU A 85 7.293 0.851 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.790 -1.095 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.290 -1.424 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.078 -2.071 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.781 0.535 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.068 -0.335 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.275 1.385 3.751 1.00 0.00 H new ATOM 1211 N ARG A 86 12.036 1.217 1.663 1.00 0.00 N ATOM 1212 CA ARG A 86 13.479 1.051 1.706 1.00 0.00 C ATOM 1213 C ARG A 86 14.143 2.318 2.250 1.00 0.00 C ATOM 1214 O ARG A 86 15.264 2.269 2.752 1.00 0.00 O ATOM 1215 CB ARG A 86 14.040 0.747 0.315 1.00 0.00 C ATOM 1216 CG ARG A 86 13.853 -0.730 -0.040 1.00 0.00 C ATOM 1217 CD ARG A 86 15.094 -1.286 -0.742 1.00 0.00 C ATOM 1218 NE ARG A 86 14.872 -2.701 -1.115 1.00 0.00 N ATOM 1219 CZ ARG A 86 15.636 -3.377 -1.984 1.00 0.00 C ATOM 1220 NH1 ARG A 86 16.675 -2.771 -2.575 1.00 0.00 N ATOM 1221 NH2 ARG A 86 15.360 -4.658 -2.263 1.00 0.00 N ATOM 0 H ARG A 86 11.671 1.545 0.769 1.00 0.00 H new ATOM 0 HA ARG A 86 13.697 0.211 2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.540 1.369 -0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 86 15.099 1.001 0.282 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.656 -1.303 0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.983 -0.845 -0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.313 -0.697 -1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.960 -1.206 -0.085 1.00 0.00 H new ATOM 0 HE ARG A 86 14.089 -3.192 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.884 -1.795 -2.363 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.257 -3.285 -3.236 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.568 -5.119 -1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.941 -5.173 -2.924 1.00 0.00 H new ATOM 1235 N ASN A 87 13.421 3.423 2.131 1.00 0.00 N ATOM 1236 CA ASN A 87 13.926 4.701 2.604 1.00 0.00 C ATOM 1237 C ASN A 87 13.782 4.769 4.126 1.00 0.00 C ATOM 1238 O ASN A 87 14.677 5.254 4.817 1.00 0.00 O ATOM 1239 CB ASN A 87 13.135 5.863 2.002 1.00 0.00 C ATOM 1240 CG ASN A 87 13.847 6.434 0.774 1.00 0.00 C ATOM 1241 OD1 ASN A 87 14.417 7.512 0.800 1.00 0.00 O ATOM 1242 ND2 ASN A 87 13.784 5.652 -0.300 1.00 0.00 N ATOM 0 H ASN A 87 12.491 3.460 1.714 1.00 0.00 H new ATOM 0 HA ASN A 87 14.971 4.783 2.304 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.138 5.523 1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.007 6.646 2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.230 5.944 -1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.290 4.761 -0.254 1.00 0.00 H new ATOM 1249 N THR A 88 12.648 4.276 4.604 1.00 0.00 N ATOM 1250 CA THR A 88 12.375 4.275 6.031 1.00 0.00 C ATOM 1251 C THR A 88 13.621 3.850 6.812 1.00 0.00 C ATOM 1252 O THR A 88 14.557 3.295 6.239 1.00 0.00 O ATOM 1253 CB THR A 88 11.165 3.373 6.280 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.599 2.084 5.856 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.993 3.696 5.350 1.00 0.00 C ATOM 0 H THR A 88 11.908 3.875 4.028 1.00 0.00 H new ATOM 0 HA THR A 88 12.132 5.276 6.388 1.00 0.00 H new ATOM 0 HB THR A 88 10.845 3.474 7.317 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.479 2.001 4.887 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.160 3.027 5.568 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.680 4.728 5.505 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.303 3.563 4.314 1.00 0.00 H new ATOM 1263 N LYS A 89 13.591 4.127 8.107 1.00 0.00 N ATOM 1264 CA LYS A 89 14.706 3.780 8.972 1.00 0.00 C ATOM 1265 C LYS A 89 14.168 3.194 10.279 1.00 0.00 C ATOM 1266 O LYS A 89 12.978 2.904 10.390 1.00 0.00 O ATOM 1267 CB LYS A 89 15.624 4.988 9.172 1.00 0.00 C ATOM 1268 CG LYS A 89 16.344 5.350 7.872 1.00 0.00 C ATOM 1269 CD LYS A 89 17.755 4.758 7.843 1.00 0.00 C ATOM 1270 CE LYS A 89 17.869 3.663 6.780 1.00 0.00 C ATOM 1271 NZ LYS A 89 18.153 4.256 5.454 1.00 0.00 N ATOM 0 H LYS A 89 12.812 4.588 8.578 1.00 0.00 H new ATOM 0 HA LYS A 89 15.324 3.012 8.508 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.039 5.840 9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.357 4.768 9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.773 4.980 7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.399 6.434 7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.480 5.546 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.001 4.346 8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.662 2.966 7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.942 3.091 6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.227 3.500 4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.383 4.903 5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.049 4.783 5.494 1.00 0.00 H new ATOM 1285 N GLY A 90 15.071 3.036 11.235 1.00 0.00 N ATOM 1286 CA GLY A 90 14.703 2.489 12.530 1.00 0.00 C ATOM 1287 C GLY A 90 13.189 2.553 12.741 1.00 0.00 C ATOM 1288 O GLY A 90 12.485 1.568 12.524 1.00 0.00 O ATOM 0 H GLY A 90 16.057 3.277 11.139 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.040 1.455 12.601 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.208 3.044 13.320 1.00 0.00 H new ATOM 1292 N ASN A 91 12.732 3.723 13.163 1.00 0.00 N ATOM 1293 CA ASN A 91 11.314 3.929 13.407 1.00 0.00 C ATOM 1294 C ASN A 91 10.616 4.254 12.085 1.00 0.00 C ATOM 1295 O ASN A 91 11.139 5.017 11.274 1.00 0.00 O ATOM 1296 CB ASN A 91 11.084 5.101 14.363 1.00 0.00 C ATOM 1297 CG ASN A 91 9.590 5.374 14.547 1.00 0.00 C ATOM 1298 OD1 ASN A 91 9.019 6.274 13.953 1.00 0.00 O ATOM 1299 ND2 ASN A 91 8.990 4.549 15.400 1.00 0.00 N ATOM 0 H ASN A 91 13.318 4.538 13.342 1.00 0.00 H new ATOM 0 HA ASN A 91 10.912 3.018 13.850 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.539 4.882 15.329 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.575 5.993 13.975 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.993 4.649 15.590 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.527 3.816 15.864 1.00 0.00 H new ATOM 1306 N VAL A 92 9.445 3.659 11.909 1.00 0.00 N ATOM 1307 CA VAL A 92 8.670 3.876 10.699 1.00 0.00 C ATOM 1308 C VAL A 92 7.184 3.942 11.056 1.00 0.00 C ATOM 1309 O VAL A 92 6.678 3.088 11.782 1.00 0.00 O ATOM 1310 CB VAL A 92 8.990 2.789 9.671 1.00 0.00 C ATOM 1311 CG1 VAL A 92 8.325 3.093 8.327 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.502 2.617 9.508 1.00 0.00 C ATOM 0 H VAL A 92 9.014 3.027 12.584 1.00 0.00 H new ATOM 0 HA VAL A 92 8.937 4.828 10.240 1.00 0.00 H new ATOM 0 HB VAL A 92 8.583 1.848 10.041 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.568 2.305 7.614 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.244 3.142 8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.688 4.049 7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.702 1.839 8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.941 3.556 9.171 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.941 2.333 10.464 1.00 0.00 H new ATOM 1322 N ARG A 93 6.526 4.964 10.529 1.00 0.00 N ATOM 1323 CA ARG A 93 5.108 5.153 10.783 1.00 0.00 C ATOM 1324 C ARG A 93 4.290 4.739 9.558 1.00 0.00 C ATOM 1325 O ARG A 93 4.439 5.317 8.483 1.00 0.00 O ATOM 1326 CB ARG A 93 4.799 6.612 11.124 1.00 0.00 C ATOM 1327 CG ARG A 93 4.866 6.848 12.634 1.00 0.00 C ATOM 1328 CD ARG A 93 4.155 8.147 13.019 1.00 0.00 C ATOM 1329 NE ARG A 93 5.124 9.266 13.042 1.00 0.00 N ATOM 1330 CZ ARG A 93 6.058 9.431 13.989 1.00 0.00 C ATOM 1331 NH1 ARG A 93 6.156 8.551 14.994 1.00 0.00 N ATOM 1332 NH2 ARG A 93 6.894 10.476 13.929 1.00 0.00 N ATOM 0 H ARG A 93 6.949 5.670 9.927 1.00 0.00 H new ATOM 0 HA ARG A 93 4.837 4.528 11.634 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.510 7.266 10.618 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.807 6.873 10.755 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.407 6.009 13.157 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.907 6.891 12.953 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.358 8.360 12.307 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.688 8.039 13.998 1.00 0.00 H new ATOM 0 HE ARG A 93 5.078 9.954 12.290 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.520 7.755 15.039 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.867 8.677 15.715 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.819 11.145 13.163 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.605 10.602 14.649 1.00 0.00 H new ATOM 1346 N PHE A 94 3.443 3.740 9.762 1.00 0.00 N ATOM 1347 CA PHE A 94 2.601 3.242 8.688 1.00 0.00 C ATOM 1348 C PHE A 94 1.134 3.601 8.929 1.00 0.00 C ATOM 1349 O PHE A 94 0.538 3.165 9.913 1.00 0.00 O ATOM 1350 CB PHE A 94 2.746 1.719 8.676 1.00 0.00 C ATOM 1351 CG PHE A 94 4.156 1.230 8.337 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.537 1.101 7.039 1.00 0.00 C ATOM 1353 CD2 PHE A 94 5.028 0.925 9.336 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.846 0.648 6.724 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.336 0.472 9.022 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.718 0.342 7.723 1.00 0.00 C ATOM 0 H PHE A 94 3.322 3.262 10.655 1.00 0.00 H new ATOM 0 HA PHE A 94 2.905 3.687 7.741 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.463 1.330 9.654 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.045 1.303 7.952 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.844 1.343 6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.725 1.028 10.368 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.149 0.546 5.692 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.028 0.230 9.815 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.713 -0.004 7.485 1.00 0.00 H new ATOM 1366 N VAL A 95 0.593 4.393 8.015 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.793 4.816 8.117 1.00 0.00 C ATOM 1368 C VAL A 95 -1.670 3.879 7.283 1.00 0.00 C ATOM 1369 O VAL A 95 -1.885 4.118 6.096 1.00 0.00 O ATOM 1370 CB VAL A 95 -0.924 6.283 7.703 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.318 6.572 7.141 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.601 7.214 8.874 1.00 0.00 C ATOM 0 H VAL A 95 1.090 4.753 7.200 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.137 4.751 9.149 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.198 6.474 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.384 7.622 6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.495 5.945 6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.069 6.355 7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.702 8.251 8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.292 7.020 9.695 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.421 7.036 9.210 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.152 2.833 7.938 1.00 0.00 N ATOM 1383 CA ILE A 96 -3.000 1.860 7.272 1.00 0.00 C ATOM 1384 C ILE A 96 -4.430 2.400 7.201 1.00 0.00 C ATOM 1385 O ILE A 96 -4.818 3.248 8.003 1.00 0.00 O ATOM 1386 CB ILE A 96 -2.891 0.496 7.957 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.459 0.232 8.427 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.411 -0.618 7.047 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.463 0.419 7.281 1.00 0.00 C ATOM 0 H ILE A 96 -1.971 2.638 8.923 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.667 1.703 6.246 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.524 0.507 8.844 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.210 0.909 9.244 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.382 -0.782 8.819 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.322 -1.577 7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.457 -0.431 6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.825 -0.641 6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.547 0.225 7.642 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.700 -0.276 6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.525 1.441 6.908 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.175 1.886 6.233 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.554 2.306 6.047 1.00 0.00 C ATOM 1403 C GLY A 97 -7.518 1.142 6.283 1.00 0.00 C ATOM 1404 O GLY A 97 -7.545 0.187 5.509 1.00 0.00 O ATOM 0 H GLY A 97 -4.850 1.183 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.786 3.120 6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.687 2.694 5.037 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.286 1.260 7.356 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.250 0.230 7.704 1.00 0.00 C ATOM 1410 C ARG A 98 -10.660 0.662 7.297 1.00 0.00 C ATOM 1411 O ARG A 98 -11.006 1.838 7.397 1.00 0.00 O ATOM 1412 CB ARG A 98 -9.227 -0.061 9.206 1.00 0.00 C ATOM 1413 CG ARG A 98 -8.936 -1.539 9.474 1.00 0.00 C ATOM 1414 CD ARG A 98 -7.541 -1.723 10.074 1.00 0.00 C ATOM 1415 NE ARG A 98 -6.822 -2.804 9.361 1.00 0.00 N ATOM 1416 CZ ARG A 98 -7.245 -4.074 9.300 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -8.385 -4.430 9.907 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -6.529 -4.987 8.631 1.00 0.00 N ATOM 0 H ARG A 98 -8.260 2.054 7.996 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.975 -0.677 7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.468 0.556 9.688 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.186 0.210 9.647 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.685 -1.943 10.155 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.013 -2.103 8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.979 -0.792 10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.621 -1.965 11.134 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.951 -2.567 8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.931 -3.734 10.415 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.707 -5.397 9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.662 -4.716 8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.851 -5.954 8.585 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.436 -0.312 6.846 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.800 -0.047 6.423 1.00 0.00 C ATOM 1434 C GLU A 99 -13.642 0.425 7.610 1.00 0.00 C ATOM 1435 O GLU A 99 -13.849 -0.322 8.565 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.421 -1.283 5.768 1.00 0.00 C ATOM 1437 CG GLU A 99 -13.366 -1.181 4.242 1.00 0.00 C ATOM 1438 CD GLU A 99 -13.202 -2.563 3.606 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -12.186 -3.217 3.925 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -14.096 -2.933 2.815 1.00 0.00 O ATOM 0 H GLU A 99 -11.146 -1.286 6.764 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.780 0.748 5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.891 -2.177 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.456 -1.389 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.278 -0.712 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.536 -0.540 3.946 1.00 0.00 H new