USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 591 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 14 HIS : no HD1:sc= -6.11! C(o=-6.1!,f=-7.9!) USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -112:sc= -1.74 (180deg=-4.09!) USER MOD Single : A 38 THR OG1 : rot -27:sc= 0.0586 USER MOD Single : A 43 ASN : amide:sc= -0.811 X(o=-0.81,f=-0.93) USER MOD Single : A 46 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-2) USER MOD Single : A 53 SER OG : rot -93:sc= 0.263 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -58:sc= 0.305 USER MOD Single : A 66 ASN : amide:sc= 0.0762 K(o=0.076,f=-2.9!) USER MOD Single : A 68 THR OG1 : rot 90:sc= 0.159 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.474 K(o=-0.47,f=-3.6!) USER MOD Single : A 85 THR OG1 : rot -17:sc= -0.253 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -3.9! C(o=-3.9!,f=-4.3!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 35:sc= 0.00539 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 103 N ARG A 11 3.769 1.328 -10.272 1.00 0.00 N ATOM 104 CA ARG A 11 4.264 -0.042 -10.312 1.00 0.00 C ATOM 105 C ARG A 11 3.212 -1.017 -9.791 1.00 0.00 C ATOM 106 O ARG A 11 2.830 -0.964 -8.622 1.00 0.00 O ATOM 107 CB ARG A 11 5.546 -0.168 -9.487 1.00 0.00 C ATOM 108 CG ARG A 11 6.292 -1.472 -9.716 1.00 0.00 C ATOM 109 CD ARG A 11 7.067 -1.896 -8.478 1.00 0.00 C ATOM 110 NE ARG A 11 8.370 -1.243 -8.397 1.00 0.00 N ATOM 111 CZ ARG A 11 9.134 -1.257 -7.310 1.00 0.00 C ATOM 112 NH1 ARG A 11 8.725 -1.888 -6.218 1.00 0.00 N ATOM 113 NH2 ARG A 11 10.308 -0.640 -7.314 1.00 0.00 N ATOM 0 HA ARG A 11 4.482 -0.292 -11.350 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.206 0.665 -9.727 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.297 -0.083 -8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.584 -2.254 -9.989 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.979 -1.357 -10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.486 -1.657 -7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.204 -2.977 -8.489 1.00 0.00 H new ATOM 0 HE ARG A 11 8.713 -0.749 -9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.823 -2.364 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.313 -1.898 -5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.626 -0.154 -8.152 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.893 -0.652 -6.479 1.00 0.00 H new ATOM 127 N GLU A 12 2.749 -1.904 -10.666 1.00 0.00 N ATOM 128 CA GLU A 12 1.740 -2.888 -10.293 1.00 0.00 C ATOM 129 C GLU A 12 2.392 -4.161 -9.760 1.00 0.00 C ATOM 130 O GLU A 12 3.224 -4.773 -10.431 1.00 0.00 O ATOM 131 CB GLU A 12 0.852 -3.221 -11.493 1.00 0.00 C ATOM 132 CG GLU A 12 -0.196 -4.281 -11.200 1.00 0.00 C ATOM 133 CD GLU A 12 -1.027 -4.634 -12.418 1.00 0.00 C ATOM 134 OE1 GLU A 12 -0.448 -4.750 -13.519 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.257 -4.793 -12.271 1.00 0.00 O ATOM 0 H GLU A 12 3.056 -1.961 -11.637 1.00 0.00 H new ATOM 0 HA GLU A 12 1.124 -2.457 -9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.353 -2.312 -11.828 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.481 -3.561 -12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.296 -5.180 -10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.854 -3.926 -10.407 1.00 0.00 H new ATOM 142 N VAL A 13 2.010 -4.553 -8.549 1.00 0.00 N ATOM 143 CA VAL A 13 2.556 -5.752 -7.926 1.00 0.00 C ATOM 144 C VAL A 13 1.449 -6.618 -7.335 1.00 0.00 C ATOM 145 O VAL A 13 0.888 -6.297 -6.286 1.00 0.00 O ATOM 146 CB VAL A 13 3.564 -5.399 -6.816 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.154 -6.662 -6.208 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.661 -4.496 -7.361 1.00 0.00 C ATOM 0 H VAL A 13 1.324 -4.057 -7.980 1.00 0.00 H new ATOM 0 HA VAL A 13 3.070 -6.309 -8.710 1.00 0.00 H new ATOM 0 HB VAL A 13 3.037 -4.859 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.864 -6.392 -5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.355 -7.267 -5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.667 -7.233 -6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.365 -4.256 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.187 -5.008 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.219 -3.576 -7.743 1.00 0.00 H new ATOM 158 N HIS A 14 1.138 -7.717 -8.014 1.00 0.00 N ATOM 159 CA HIS A 14 0.098 -8.631 -7.556 1.00 0.00 C ATOM 160 C HIS A 14 0.652 -9.614 -6.528 1.00 0.00 C ATOM 161 O HIS A 14 1.759 -10.132 -6.683 1.00 0.00 O ATOM 162 CB HIS A 14 -0.498 -9.394 -8.739 1.00 0.00 C ATOM 163 CG HIS A 14 -0.779 -8.530 -9.929 1.00 0.00 C ATOM 164 ND1 HIS A 14 0.212 -8.039 -10.754 1.00 0.00 N ATOM 165 CD2 HIS A 14 -1.948 -8.070 -10.433 1.00 0.00 C ATOM 166 CE1 HIS A 14 -0.336 -7.313 -11.712 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.646 -7.317 -11.541 1.00 0.00 N ATOM 0 H HIS A 14 1.592 -7.997 -8.884 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.686 -8.041 -7.082 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.189 -10.188 -9.031 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.424 -9.874 -8.422 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.935 -8.260 -10.037 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.196 -6.803 -12.501 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.323 -6.839 -12.135 1.00 0.00 H new ATOM 175 N LEU A 15 -0.124 -9.865 -5.479 1.00 0.00 N ATOM 176 CA LEU A 15 0.290 -10.785 -4.425 1.00 0.00 C ATOM 177 C LEU A 15 -0.729 -11.907 -4.252 1.00 0.00 C ATOM 178 O LEU A 15 -1.916 -11.727 -4.520 1.00 0.00 O ATOM 179 CB LEU A 15 0.467 -10.033 -3.105 1.00 0.00 C ATOM 180 CG LEU A 15 1.283 -8.742 -3.173 1.00 0.00 C ATOM 181 CD1 LEU A 15 0.929 -7.825 -2.012 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.773 -9.052 -3.174 1.00 0.00 C ATOM 0 H LEU A 15 -1.042 -9.445 -5.336 1.00 0.00 H new ATOM 0 HA LEU A 15 1.244 -11.226 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.521 -9.795 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.943 -10.703 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 15 1.038 -8.229 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.520 -6.911 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.131 -7.576 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.145 -8.330 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.338 -8.121 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.034 -9.588 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.016 -9.670 -4.039 1.00 0.00 H new ATOM 194 N GLU A 16 -0.256 -13.064 -3.800 1.00 0.00 N ATOM 195 CA GLU A 16 -1.127 -14.214 -3.589 1.00 0.00 C ATOM 196 C GLU A 16 -1.144 -14.622 -2.118 1.00 0.00 C ATOM 197 O GLU A 16 -0.130 -15.051 -1.569 1.00 0.00 O ATOM 198 CB GLU A 16 -0.669 -15.393 -4.450 1.00 0.00 C ATOM 199 CG GLU A 16 -0.700 -15.105 -5.942 1.00 0.00 C ATOM 200 CD GLU A 16 -2.093 -15.223 -6.530 1.00 0.00 C ATOM 201 OE1 GLU A 16 -2.812 -16.177 -6.165 1.00 0.00 O ATOM 202 OE2 GLU A 16 -2.464 -14.362 -7.355 1.00 0.00 O ATOM 0 H GLU A 16 0.725 -13.230 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.138 -13.930 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.346 -15.669 -4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.305 -16.253 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.317 -14.100 -6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.033 -15.797 -6.456 1.00 0.00 H new ATOM 209 N LYS A 17 -2.304 -14.483 -1.486 1.00 0.00 N ATOM 210 CA LYS A 17 -2.457 -14.836 -0.080 1.00 0.00 C ATOM 211 C LYS A 17 -3.511 -15.925 0.097 1.00 0.00 C ATOM 212 O LYS A 17 -4.157 -16.338 -0.866 1.00 0.00 O ATOM 213 CB LYS A 17 -2.842 -13.601 0.739 1.00 0.00 C ATOM 214 CG LYS A 17 -4.335 -13.324 0.755 1.00 0.00 C ATOM 215 CD LYS A 17 -4.701 -12.302 1.818 1.00 0.00 C ATOM 216 CE LYS A 17 -4.512 -10.880 1.313 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.477 -9.894 2.429 1.00 0.00 N ATOM 0 H LYS A 17 -3.153 -14.128 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.501 -15.219 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.494 -13.732 1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.324 -12.731 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.649 -12.961 -0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.876 -14.252 0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.738 -12.447 2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.085 -12.460 2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.584 -10.817 0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.323 -10.627 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.325 -9.293 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.454 -10.399 3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.627 -9.301 2.341 1.00 0.00 H new ATOM 231 N ARG A 18 -3.680 -16.383 1.333 1.00 0.00 N ATOM 232 CA ARG A 18 -4.656 -17.424 1.635 1.00 0.00 C ATOM 233 C ARG A 18 -5.845 -16.848 2.399 1.00 0.00 C ATOM 234 O ARG A 18 -5.673 -16.113 3.371 1.00 0.00 O ATOM 235 CB ARG A 18 -4.004 -18.542 2.450 1.00 0.00 C ATOM 236 CG ARG A 18 -2.944 -19.316 1.684 1.00 0.00 C ATOM 237 CD ARG A 18 -3.548 -20.485 0.923 1.00 0.00 C ATOM 238 NE ARG A 18 -2.528 -21.291 0.257 1.00 0.00 N ATOM 239 CZ ARG A 18 -2.742 -22.524 -0.190 1.00 0.00 C ATOM 240 NH1 ARG A 18 -3.932 -23.089 -0.044 1.00 0.00 N ATOM 241 NH2 ARG A 18 -1.763 -23.193 -0.785 1.00 0.00 N ATOM 0 H ARG A 18 -3.154 -16.050 2.141 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.017 -17.835 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.553 -18.112 3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.777 -19.234 2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.438 -18.649 0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.188 -19.684 2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.113 -21.113 1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.254 -20.109 0.182 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.601 -20.885 0.128 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.687 -22.577 0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.093 -24.036 -0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.846 -22.761 -0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.927 -24.139 -1.128 1.00 0.00 H new ATOM 255 N ARG A 19 -7.049 -17.188 1.952 1.00 0.00 N ATOM 256 CA ARG A 19 -8.266 -16.705 2.593 1.00 0.00 C ATOM 257 C ARG A 19 -8.080 -16.598 4.104 1.00 0.00 C ATOM 258 O ARG A 19 -7.921 -17.605 4.793 1.00 0.00 O ATOM 259 CB ARG A 19 -9.439 -17.635 2.277 1.00 0.00 C ATOM 260 CG ARG A 19 -10.797 -17.031 2.593 1.00 0.00 C ATOM 261 CD ARG A 19 -11.929 -17.922 2.106 1.00 0.00 C ATOM 262 NE ARG A 19 -12.171 -17.767 0.674 1.00 0.00 N ATOM 263 CZ ARG A 19 -13.240 -18.252 0.052 1.00 0.00 C ATOM 264 NH1 ARG A 19 -14.161 -18.920 0.733 1.00 0.00 N ATOM 265 NH2 ARG A 19 -13.389 -18.070 -1.254 1.00 0.00 N ATOM 0 H ARG A 19 -7.208 -17.796 1.149 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.483 -15.712 2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.406 -17.901 1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.321 -18.559 2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.888 -16.880 3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.878 -16.050 2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.689 -18.963 2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.840 -17.684 2.655 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.481 -17.258 0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.050 -19.062 1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.981 -19.291 0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.682 -17.557 -1.781 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.210 -18.443 -1.730 1.00 0.00 H new ATOM 279 N GLY A 20 -8.100 -15.370 4.612 1.00 0.00 N ATOM 280 CA GLY A 20 -7.931 -15.154 6.038 1.00 0.00 C ATOM 281 C GLY A 20 -6.474 -15.024 6.436 1.00 0.00 C ATOM 282 O GLY A 20 -6.099 -15.366 7.557 1.00 0.00 O ATOM 0 H GLY A 20 -8.230 -14.521 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.467 -14.251 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.381 -15.983 6.584 1.00 0.00 H new ATOM 286 N GLU A 21 -5.652 -14.531 5.515 1.00 0.00 N ATOM 287 CA GLU A 21 -4.228 -14.360 5.777 1.00 0.00 C ATOM 288 C GLU A 21 -3.860 -12.880 5.840 1.00 0.00 C ATOM 289 O GLU A 21 -3.999 -12.152 4.858 1.00 0.00 O ATOM 290 CB GLU A 21 -3.401 -15.056 4.695 1.00 0.00 C ATOM 291 CG GLU A 21 -1.901 -14.894 4.876 1.00 0.00 C ATOM 292 CD GLU A 21 -1.101 -15.733 3.899 1.00 0.00 C ATOM 293 OE1 GLU A 21 -0.833 -15.249 2.780 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.742 -16.876 4.255 1.00 0.00 O ATOM 0 H GLU A 21 -5.947 -14.243 4.582 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.005 -14.814 6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.645 -16.118 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.686 -14.659 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.635 -13.844 4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.630 -15.172 5.895 1.00 0.00 H new ATOM 301 N GLY A 22 -3.391 -12.442 7.004 1.00 0.00 N ATOM 302 CA GLY A 22 -3.011 -11.051 7.175 1.00 0.00 C ATOM 303 C GLY A 22 -2.110 -10.556 6.062 1.00 0.00 C ATOM 304 O GLY A 22 -1.025 -11.097 5.844 1.00 0.00 O ATOM 0 H GLY A 22 -3.267 -13.025 7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.909 -10.434 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.502 -10.932 8.131 1.00 0.00 H new ATOM 308 N LEU A 23 -2.559 -9.525 5.354 1.00 0.00 N ATOM 309 CA LEU A 23 -1.785 -8.957 4.255 1.00 0.00 C ATOM 310 C LEU A 23 -0.311 -8.843 4.628 1.00 0.00 C ATOM 311 O LEU A 23 0.567 -8.953 3.773 1.00 0.00 O ATOM 312 CB LEU A 23 -2.335 -7.581 3.877 1.00 0.00 C ATOM 313 CG LEU A 23 -2.147 -7.160 2.418 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.567 -5.712 2.222 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.701 -7.361 1.988 1.00 0.00 C ATOM 0 H LEU A 23 -3.454 -9.066 5.521 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.873 -9.625 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.401 -7.563 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.860 -6.835 4.514 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.782 -7.788 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.426 -5.430 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.617 -5.598 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.959 -5.068 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.585 -7.057 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.047 -6.758 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.434 -8.413 2.090 1.00 0.00 H new ATOM 327 N GLY A 24 -0.046 -8.623 5.913 1.00 0.00 N ATOM 328 CA GLY A 24 1.323 -8.501 6.377 1.00 0.00 C ATOM 329 C GLY A 24 1.980 -7.216 5.913 1.00 0.00 C ATOM 330 O GLY A 24 2.982 -7.245 5.199 1.00 0.00 O ATOM 0 H GLY A 24 -0.755 -8.527 6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.339 -8.541 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.902 -9.352 6.018 1.00 0.00 H new ATOM 334 N VAL A 25 1.413 -6.083 6.319 1.00 0.00 N ATOM 335 CA VAL A 25 1.949 -4.782 5.939 1.00 0.00 C ATOM 336 C VAL A 25 1.610 -3.723 6.983 1.00 0.00 C ATOM 337 O VAL A 25 0.443 -3.508 7.307 1.00 0.00 O ATOM 338 CB VAL A 25 1.408 -4.329 4.570 1.00 0.00 C ATOM 339 CG1 VAL A 25 2.122 -5.062 3.445 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.095 -4.550 4.492 1.00 0.00 C ATOM 0 H VAL A 25 0.583 -6.041 6.911 1.00 0.00 H new ATOM 0 HA VAL A 25 3.031 -4.892 5.874 1.00 0.00 H new ATOM 0 HB VAL A 25 1.602 -3.262 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.727 -4.729 2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.190 -4.848 3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.962 -6.135 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.461 -4.224 3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.314 -5.609 4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.588 -3.975 5.275 1.00 0.00 H new ATOM 350 N ALA A 26 2.640 -3.063 7.504 1.00 0.00 N ATOM 351 CA ALA A 26 2.451 -2.025 8.509 1.00 0.00 C ATOM 352 C ALA A 26 2.633 -0.636 7.905 1.00 0.00 C ATOM 353 O ALA A 26 3.748 -0.234 7.572 1.00 0.00 O ATOM 354 CB ALA A 26 3.417 -2.229 9.667 1.00 0.00 C ATOM 0 H ALA A 26 3.613 -3.229 7.246 1.00 0.00 H new ATOM 0 HA ALA A 26 1.430 -2.099 8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.265 -1.446 10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.238 -3.203 10.123 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.442 -2.184 9.298 1.00 0.00 H new ATOM 360 N LEU A 27 1.530 0.091 7.764 1.00 0.00 N ATOM 361 CA LEU A 27 1.567 1.435 7.198 1.00 0.00 C ATOM 362 C LEU A 27 1.416 2.490 8.290 1.00 0.00 C ATOM 363 O LEU A 27 1.082 2.173 9.432 1.00 0.00 O ATOM 364 CB LEU A 27 0.461 1.602 6.156 1.00 0.00 C ATOM 365 CG LEU A 27 0.347 0.489 5.114 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.092 0.342 4.644 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.269 0.765 3.935 1.00 0.00 C ATOM 0 H LEU A 27 0.599 -0.228 8.034 1.00 0.00 H new ATOM 0 HA LEU A 27 2.535 1.573 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.493 1.683 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.620 2.546 5.634 1.00 0.00 H new ATOM 0 HG LEU A 27 0.654 -0.448 5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.153 -0.455 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.729 0.097 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.427 1.279 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.174 -0.038 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.994 1.712 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.300 0.818 4.284 1.00 0.00 H new ATOM 379 N VAL A 28 1.663 3.746 7.931 1.00 0.00 N ATOM 380 CA VAL A 28 1.551 4.848 8.878 1.00 0.00 C ATOM 381 C VAL A 28 1.060 6.117 8.190 1.00 0.00 C ATOM 382 O VAL A 28 0.912 6.154 6.969 1.00 0.00 O ATOM 383 CB VAL A 28 2.899 5.138 9.564 1.00 0.00 C ATOM 384 CG1 VAL A 28 3.099 4.217 10.758 1.00 0.00 C ATOM 385 CG2 VAL A 28 4.043 4.994 8.572 1.00 0.00 C ATOM 0 H VAL A 28 1.942 4.025 6.990 1.00 0.00 H new ATOM 0 HA VAL A 28 0.826 4.544 9.633 1.00 0.00 H new ATOM 0 HB VAL A 28 2.889 6.166 9.926 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.057 4.436 11.230 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.295 4.374 11.477 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.089 3.180 10.423 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.988 5.202 9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.058 3.978 8.178 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.904 5.699 7.752 1.00 0.00 H new ATOM 395 N GLU A 29 0.811 7.155 8.982 1.00 0.00 N ATOM 396 CA GLU A 29 0.337 8.427 8.448 1.00 0.00 C ATOM 397 C GLU A 29 1.495 9.402 8.257 1.00 0.00 C ATOM 398 O GLU A 29 2.189 9.753 9.212 1.00 0.00 O ATOM 399 CB GLU A 29 -0.711 9.038 9.380 1.00 0.00 C ATOM 400 CG GLU A 29 -1.619 10.046 8.696 1.00 0.00 C ATOM 401 CD GLU A 29 -2.849 10.375 9.519 1.00 0.00 C ATOM 402 OE1 GLU A 29 -2.792 10.228 10.758 1.00 0.00 O ATOM 403 OE2 GLU A 29 -3.870 10.780 8.924 1.00 0.00 O ATOM 0 H GLU A 29 0.929 7.140 9.995 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.119 8.237 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.321 8.239 9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.204 9.525 10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.060 10.961 8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.929 9.652 7.728 1.00 0.00 H new ATOM 522 N THR A 38 -0.188 10.638 2.320 1.00 0.00 N ATOM 523 CA THR A 38 0.261 9.502 1.525 1.00 0.00 C ATOM 524 C THR A 38 0.517 8.282 2.403 1.00 0.00 C ATOM 525 O THR A 38 0.964 8.409 3.543 1.00 0.00 O ATOM 526 CB THR A 38 1.547 9.836 0.745 1.00 0.00 C ATOM 527 OG1 THR A 38 2.584 10.224 1.652 1.00 0.00 O ATOM 528 CG2 THR A 38 1.296 10.955 -0.256 1.00 0.00 C ATOM 0 HA THR A 38 -0.537 9.277 0.818 1.00 0.00 H new ATOM 0 HB THR A 38 1.858 8.944 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.185 10.603 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.218 11.174 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.527 10.645 -0.963 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.964 11.848 0.273 1.00 0.00 H new ATOM 536 N ALA A 39 0.230 7.101 1.866 1.00 0.00 N ATOM 537 CA ALA A 39 0.432 5.858 2.600 1.00 0.00 C ATOM 538 C ALA A 39 1.888 5.412 2.534 1.00 0.00 C ATOM 539 O ALA A 39 2.433 5.196 1.451 1.00 0.00 O ATOM 540 CB ALA A 39 -0.482 4.770 2.056 1.00 0.00 C ATOM 0 H ALA A 39 -0.143 6.979 0.925 1.00 0.00 H new ATOM 0 HA ALA A 39 0.182 6.037 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.321 3.847 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.521 5.081 2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.260 4.601 1.002 1.00 0.00 H new ATOM 546 N VAL A 40 2.514 5.274 3.699 1.00 0.00 N ATOM 547 CA VAL A 40 3.907 4.853 3.773 1.00 0.00 C ATOM 548 C VAL A 40 4.059 3.604 4.634 1.00 0.00 C ATOM 549 O VAL A 40 3.531 3.536 5.745 1.00 0.00 O ATOM 550 CB VAL A 40 4.802 5.969 4.344 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.271 5.631 4.144 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.461 7.305 3.702 1.00 0.00 C ATOM 0 H VAL A 40 2.078 5.448 4.604 1.00 0.00 H new ATOM 0 HA VAL A 40 4.224 4.629 2.754 1.00 0.00 H new ATOM 0 HB VAL A 40 4.616 6.048 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.887 6.431 4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.502 4.697 4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.478 5.523 3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.103 8.082 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.618 7.242 2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.418 7.550 3.903 1.00 0.00 H new ATOM 562 N ILE A 41 4.783 2.618 4.116 1.00 0.00 N ATOM 563 CA ILE A 41 5.005 1.372 4.838 1.00 0.00 C ATOM 564 C ILE A 41 5.938 1.584 6.026 1.00 0.00 C ATOM 565 O ILE A 41 7.145 1.755 5.858 1.00 0.00 O ATOM 566 CB ILE A 41 5.599 0.287 3.921 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.605 -0.078 2.816 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.975 -0.944 4.731 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.243 -0.775 1.636 1.00 0.00 C ATOM 0 H ILE A 41 5.226 2.658 3.198 1.00 0.00 H new ATOM 0 HA ILE A 41 4.032 1.039 5.198 1.00 0.00 H new ATOM 0 HB ILE A 41 6.503 0.681 3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.831 -0.722 3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.111 0.829 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.393 -1.702 4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.715 -0.672 5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.087 -1.342 5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.480 -1.004 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.997 -0.124 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.713 -1.700 1.970 1.00 0.00 H new ATOM 581 N ALA A 42 5.369 1.570 7.227 1.00 0.00 N ATOM 582 CA ALA A 42 6.150 1.757 8.444 1.00 0.00 C ATOM 583 C ALA A 42 6.985 0.520 8.756 1.00 0.00 C ATOM 584 O ALA A 42 8.155 0.625 9.123 1.00 0.00 O ATOM 585 CB ALA A 42 5.234 2.087 9.613 1.00 0.00 C ATOM 0 H ALA A 42 4.371 1.431 7.383 1.00 0.00 H new ATOM 0 HA ALA A 42 6.832 2.592 8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.830 2.224 10.515 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.685 3.004 9.398 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.529 1.270 9.765 1.00 0.00 H new ATOM 591 N ASN A 43 6.376 -0.652 8.607 1.00 0.00 N ATOM 592 CA ASN A 43 7.064 -1.910 8.874 1.00 0.00 C ATOM 593 C ASN A 43 6.429 -3.055 8.091 1.00 0.00 C ATOM 594 O ASN A 43 5.277 -2.965 7.663 1.00 0.00 O ATOM 595 CB ASN A 43 7.034 -2.224 10.372 1.00 0.00 C ATOM 596 CG ASN A 43 7.158 -3.709 10.654 1.00 0.00 C ATOM 597 OD1 ASN A 43 8.260 -4.258 10.676 1.00 0.00 O ATOM 598 ND2 ASN A 43 6.025 -4.366 10.871 1.00 0.00 N ATOM 0 H ASN A 43 5.408 -0.757 8.303 1.00 0.00 H new ATOM 0 HA ASN A 43 8.100 -1.804 8.552 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.847 -1.694 10.868 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.103 -1.852 10.800 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.045 -5.367 11.066 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.134 -3.870 10.843 1.00 0.00 H new ATOM 605 N LEU A 44 7.187 -4.130 7.906 1.00 0.00 N ATOM 606 CA LEU A 44 6.699 -5.294 7.174 1.00 0.00 C ATOM 607 C LEU A 44 7.088 -6.586 7.885 1.00 0.00 C ATOM 608 O LEU A 44 8.045 -6.618 8.660 1.00 0.00 O ATOM 609 CB LEU A 44 7.254 -5.294 5.749 1.00 0.00 C ATOM 610 CG LEU A 44 6.793 -4.148 4.849 1.00 0.00 C ATOM 611 CD1 LEU A 44 7.363 -4.307 3.448 1.00 0.00 C ATOM 612 CD2 LEU A 44 5.274 -4.081 4.805 1.00 0.00 C ATOM 0 H LEU A 44 8.142 -4.220 8.253 1.00 0.00 H new ATOM 0 HA LEU A 44 5.611 -5.238 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.342 -5.270 5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.979 -6.236 5.274 1.00 0.00 H new ATOM 0 HG LEU A 44 7.165 -3.212 5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.024 -3.482 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.452 -4.303 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.022 -5.250 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.965 -3.259 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.880 -5.019 4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.888 -3.917 5.811 1.00 0.00 H new ATOM 624 N LEU A 45 6.342 -7.652 7.614 1.00 0.00 N ATOM 625 CA LEU A 45 6.610 -8.949 8.225 1.00 0.00 C ATOM 626 C LEU A 45 7.277 -9.893 7.230 1.00 0.00 C ATOM 627 O LEU A 45 6.626 -10.420 6.326 1.00 0.00 O ATOM 628 CB LEU A 45 5.311 -9.569 8.742 1.00 0.00 C ATOM 629 CG LEU A 45 5.465 -10.699 9.761 1.00 0.00 C ATOM 630 CD1 LEU A 45 4.130 -11.012 10.417 1.00 0.00 C ATOM 631 CD2 LEU A 45 6.041 -11.941 9.098 1.00 0.00 C ATOM 0 H LEU A 45 5.547 -7.643 6.975 1.00 0.00 H new ATOM 0 HA LEU A 45 7.290 -8.795 9.062 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.710 -8.780 9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.749 -9.950 7.889 1.00 0.00 H new ATOM 0 HG LEU A 45 6.158 -10.371 10.536 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.259 -11.818 11.139 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.759 -10.124 10.928 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.413 -11.319 9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.143 -12.734 9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.373 -12.271 8.302 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.019 -11.708 8.678 1.00 0.00 H new ATOM 643 N HIS A 46 8.578 -10.103 7.402 1.00 0.00 N ATOM 644 CA HIS A 46 9.333 -10.986 6.520 1.00 0.00 C ATOM 645 C HIS A 46 8.686 -12.366 6.449 1.00 0.00 C ATOM 646 O HIS A 46 8.965 -13.236 7.273 1.00 0.00 O ATOM 647 CB HIS A 46 10.778 -11.111 7.004 1.00 0.00 C ATOM 648 CG HIS A 46 11.634 -9.937 6.644 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.410 -9.155 5.530 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.719 -9.410 7.259 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.321 -8.200 5.474 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.127 -8.332 6.513 1.00 0.00 N ATOM 0 H HIS A 46 9.131 -9.674 8.144 1.00 0.00 H new ATOM 0 HA HIS A 46 9.329 -10.551 5.521 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.780 -11.233 8.087 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.217 -12.014 6.580 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.178 -9.771 8.168 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.395 -7.441 4.709 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.923 -7.731 6.726 1.00 0.00 H new ATOM 660 N GLY A 47 7.820 -12.559 5.459 1.00 0.00 N ATOM 661 CA GLY A 47 7.146 -13.834 5.300 1.00 0.00 C ATOM 662 C GLY A 47 5.724 -13.681 4.799 1.00 0.00 C ATOM 663 O GLY A 47 5.142 -14.622 4.262 1.00 0.00 O ATOM 0 H GLY A 47 7.573 -11.855 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.709 -14.454 4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.137 -14.358 6.256 1.00 0.00 H new ATOM 667 N GLY A 48 5.161 -12.489 4.975 1.00 0.00 N ATOM 668 CA GLY A 48 3.802 -12.237 4.532 1.00 0.00 C ATOM 669 C GLY A 48 3.657 -12.329 3.026 1.00 0.00 C ATOM 670 O GLY A 48 4.636 -12.468 2.294 1.00 0.00 O ATOM 0 H GLY A 48 5.622 -11.693 5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.131 -12.955 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.493 -11.246 4.864 1.00 0.00 H new ATOM 674 N PRO A 49 2.408 -12.253 2.543 1.00 0.00 N ATOM 675 CA PRO A 49 2.108 -12.327 1.110 1.00 0.00 C ATOM 676 C PRO A 49 2.581 -11.091 0.354 1.00 0.00 C ATOM 677 O PRO A 49 2.898 -11.161 -0.833 1.00 0.00 O ATOM 678 CB PRO A 49 0.581 -12.426 1.072 1.00 0.00 C ATOM 679 CG PRO A 49 0.128 -11.787 2.339 1.00 0.00 C ATOM 680 CD PRO A 49 1.193 -12.088 3.358 1.00 0.00 C ATOM 0 HA PRO A 49 2.615 -13.164 0.630 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.173 -11.912 0.202 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.253 -13.464 1.013 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.003 -10.712 2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.837 -12.185 2.654 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.300 -11.278 4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.964 -12.990 3.925 1.00 0.00 H new ATOM 688 N ALA A 50 2.626 -9.959 1.049 1.00 0.00 N ATOM 689 CA ALA A 50 3.063 -8.707 0.443 1.00 0.00 C ATOM 690 C ALA A 50 4.580 -8.567 0.505 1.00 0.00 C ATOM 691 O ALA A 50 5.205 -8.071 -0.431 1.00 0.00 O ATOM 692 CB ALA A 50 2.393 -7.526 1.131 1.00 0.00 C ATOM 0 H ALA A 50 2.365 -9.883 2.032 1.00 0.00 H new ATOM 0 HA ALA A 50 2.768 -8.717 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.728 -6.598 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.311 -7.612 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.659 -7.522 2.188 1.00 0.00 H new ATOM 698 N GLU A 51 5.165 -9.007 1.615 1.00 0.00 N ATOM 699 CA GLU A 51 6.610 -8.929 1.798 1.00 0.00 C ATOM 700 C GLU A 51 7.328 -9.924 0.891 1.00 0.00 C ATOM 701 O GLU A 51 8.253 -9.561 0.164 1.00 0.00 O ATOM 702 CB GLU A 51 6.976 -9.198 3.259 1.00 0.00 C ATOM 703 CG GLU A 51 8.465 -9.094 3.543 1.00 0.00 C ATOM 704 CD GLU A 51 9.223 -10.346 3.147 1.00 0.00 C ATOM 705 OE1 GLU A 51 8.588 -11.416 3.044 1.00 0.00 O ATOM 706 OE2 GLU A 51 10.452 -10.257 2.942 1.00 0.00 O ATOM 0 H GLU A 51 4.662 -9.420 2.400 1.00 0.00 H new ATOM 0 HA GLU A 51 6.931 -7.922 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.443 -8.490 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.631 -10.195 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.875 -8.240 3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.616 -8.903 4.605 1.00 0.00 H new ATOM 713 N ARG A 52 6.896 -11.179 0.940 1.00 0.00 N ATOM 714 CA ARG A 52 7.499 -12.227 0.125 1.00 0.00 C ATOM 715 C ARG A 52 7.807 -11.714 -1.279 1.00 0.00 C ATOM 716 O ARG A 52 8.711 -12.213 -1.948 1.00 0.00 O ATOM 717 CB ARG A 52 6.568 -13.438 0.043 1.00 0.00 C ATOM 718 CG ARG A 52 5.370 -13.225 -0.868 1.00 0.00 C ATOM 719 CD ARG A 52 4.744 -14.547 -1.283 1.00 0.00 C ATOM 720 NE ARG A 52 5.420 -15.136 -2.436 1.00 0.00 N ATOM 721 CZ ARG A 52 5.172 -16.360 -2.888 1.00 0.00 C ATOM 722 NH1 ARG A 52 4.266 -17.121 -2.288 1.00 0.00 N ATOM 723 NH2 ARG A 52 5.829 -16.825 -3.943 1.00 0.00 N ATOM 0 H ARG A 52 6.131 -11.495 1.535 1.00 0.00 H new ATOM 0 HA ARG A 52 8.434 -12.527 0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.135 -14.298 -0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.213 -13.681 1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.627 -12.614 -0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.680 -12.673 -1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.782 -15.244 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.692 -14.391 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 52 6.121 -14.576 -2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.758 -16.766 -1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.077 -18.061 -2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.525 -16.242 -4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.638 -17.765 -4.289 1.00 0.00 H new ATOM 737 N SER A 53 7.050 -10.714 -1.718 1.00 0.00 N ATOM 738 CA SER A 53 7.239 -10.136 -3.043 1.00 0.00 C ATOM 739 C SER A 53 8.715 -9.853 -3.306 1.00 0.00 C ATOM 740 O SER A 53 9.245 -10.196 -4.362 1.00 0.00 O ATOM 741 CB SER A 53 6.429 -8.845 -3.180 1.00 0.00 C ATOM 742 OG SER A 53 7.099 -7.755 -2.571 1.00 0.00 O ATOM 0 H SER A 53 6.300 -10.287 -1.175 1.00 0.00 H new ATOM 0 HA SER A 53 6.887 -10.857 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.260 -8.628 -4.235 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.449 -8.976 -2.721 1.00 0.00 H new ATOM 0 HG SER A 53 6.784 -7.651 -1.649 1.00 0.00 H new ATOM 748 N GLY A 54 9.373 -9.225 -2.337 1.00 0.00 N ATOM 749 CA GLY A 54 10.781 -8.906 -2.482 1.00 0.00 C ATOM 750 C GLY A 54 11.008 -7.484 -2.956 1.00 0.00 C ATOM 751 O GLY A 54 12.026 -6.871 -2.637 1.00 0.00 O ATOM 0 H GLY A 54 8.956 -8.931 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.284 -9.051 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.236 -9.599 -3.190 1.00 0.00 H new ATOM 755 N ALA A 55 10.057 -6.958 -3.721 1.00 0.00 N ATOM 756 CA ALA A 55 10.158 -5.600 -4.240 1.00 0.00 C ATOM 757 C ALA A 55 9.569 -4.592 -3.258 1.00 0.00 C ATOM 758 O ALA A 55 10.053 -3.465 -3.144 1.00 0.00 O ATOM 759 CB ALA A 55 9.459 -5.496 -5.588 1.00 0.00 C ATOM 0 H ALA A 55 9.208 -7.452 -3.995 1.00 0.00 H new ATOM 0 HA ALA A 55 11.214 -5.366 -4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.543 -4.476 -5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.927 -6.182 -6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.407 -5.755 -5.473 1.00 0.00 H new ATOM 765 N LEU A 56 8.523 -5.004 -2.551 1.00 0.00 N ATOM 766 CA LEU A 56 7.867 -4.137 -1.578 1.00 0.00 C ATOM 767 C LEU A 56 8.595 -4.173 -0.239 1.00 0.00 C ATOM 768 O LEU A 56 8.589 -5.189 0.456 1.00 0.00 O ATOM 769 CB LEU A 56 6.409 -4.560 -1.391 1.00 0.00 C ATOM 770 CG LEU A 56 5.638 -4.897 -2.667 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.511 -5.873 -2.368 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.092 -3.631 -3.311 1.00 0.00 C ATOM 0 H LEU A 56 8.110 -5.933 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 56 7.897 -3.116 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.386 -5.431 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.883 -3.758 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 56 6.325 -5.371 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.973 -6.101 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.926 -6.792 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.825 -5.427 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.546 -3.891 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.421 -3.129 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.918 -2.965 -3.562 1.00 0.00 H new ATOM 784 N SER A 57 9.221 -3.057 0.119 1.00 0.00 N ATOM 785 CA SER A 57 9.956 -2.961 1.375 1.00 0.00 C ATOM 786 C SER A 57 9.562 -1.701 2.140 1.00 0.00 C ATOM 787 O SER A 57 8.685 -0.950 1.711 1.00 0.00 O ATOM 788 CB SER A 57 11.463 -2.960 1.110 1.00 0.00 C ATOM 789 OG SER A 57 11.806 -2.006 0.120 1.00 0.00 O ATOM 0 H SER A 57 9.234 -2.206 -0.443 1.00 0.00 H new ATOM 0 HA SER A 57 9.702 -3.829 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.998 -2.739 2.034 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.780 -3.952 0.789 1.00 0.00 H new ATOM 0 HG SER A 57 12.774 -2.024 -0.030 1.00 0.00 H new ATOM 795 N ILE A 58 10.217 -1.476 3.274 1.00 0.00 N ATOM 796 CA ILE A 58 9.936 -0.307 4.098 1.00 0.00 C ATOM 797 C ILE A 58 10.211 0.984 3.334 1.00 0.00 C ATOM 798 O ILE A 58 11.313 1.196 2.829 1.00 0.00 O ATOM 799 CB ILE A 58 10.775 -0.314 5.390 1.00 0.00 C ATOM 800 CG1 ILE A 58 10.762 -1.706 6.024 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.251 0.725 6.368 1.00 0.00 C ATOM 802 CD1 ILE A 58 9.372 -2.279 6.195 1.00 0.00 C ATOM 0 H ILE A 58 10.945 -2.087 3.643 1.00 0.00 H new ATOM 0 HA ILE A 58 8.879 -0.353 4.360 1.00 0.00 H new ATOM 0 HB ILE A 58 11.805 -0.059 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.352 -2.383 5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.249 -1.657 6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.854 0.707 7.276 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.308 1.714 5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.214 0.500 6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.439 -3.267 6.650 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.784 -1.623 6.837 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.890 -2.360 5.221 1.00 0.00 H new ATOM 814 N GLY A 59 9.201 1.845 3.254 1.00 0.00 N ATOM 815 CA GLY A 59 9.355 3.105 2.551 1.00 0.00 C ATOM 816 C GLY A 59 8.386 3.245 1.393 1.00 0.00 C ATOM 817 O GLY A 59 7.706 4.263 1.264 1.00 0.00 O ATOM 0 H GLY A 59 8.279 1.692 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.203 3.928 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.376 3.187 2.178 1.00 0.00 H new ATOM 821 N ASP A 60 8.325 2.221 0.549 1.00 0.00 N ATOM 822 CA ASP A 60 7.433 2.234 -0.605 1.00 0.00 C ATOM 823 C ASP A 60 6.138 2.973 -0.282 1.00 0.00 C ATOM 824 O ASP A 60 5.452 2.649 0.687 1.00 0.00 O ATOM 825 CB ASP A 60 7.122 0.805 -1.052 1.00 0.00 C ATOM 826 CG ASP A 60 8.285 0.160 -1.779 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.424 0.251 -1.276 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.056 -0.437 -2.852 1.00 0.00 O ATOM 0 H ASP A 60 8.882 1.372 0.642 1.00 0.00 H new ATOM 0 HA ASP A 60 7.937 2.758 -1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.863 0.203 -0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.249 0.813 -1.705 1.00 0.00 H new ATOM 833 N ARG A 61 5.810 3.967 -1.101 1.00 0.00 N ATOM 834 CA ARG A 61 4.598 4.754 -0.901 1.00 0.00 C ATOM 835 C ARG A 61 3.439 4.182 -1.713 1.00 0.00 C ATOM 836 O ARG A 61 3.456 4.210 -2.944 1.00 0.00 O ATOM 837 CB ARG A 61 4.840 6.212 -1.294 1.00 0.00 C ATOM 838 CG ARG A 61 3.595 7.079 -1.214 1.00 0.00 C ATOM 839 CD ARG A 61 2.725 6.922 -2.451 1.00 0.00 C ATOM 840 NE ARG A 61 1.952 8.128 -2.733 1.00 0.00 N ATOM 841 CZ ARG A 61 2.461 9.208 -3.315 1.00 0.00 C ATOM 842 NH1 ARG A 61 3.737 9.232 -3.675 1.00 0.00 N ATOM 843 NH2 ARG A 61 1.694 10.267 -3.539 1.00 0.00 N ATOM 0 H ARG A 61 6.366 4.247 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 61 4.336 4.709 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.607 6.632 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.231 6.245 -2.311 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.020 6.811 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.885 8.124 -1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.354 6.686 -3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.046 6.081 -2.312 1.00 0.00 H new ATOM 0 HE ARG A 61 0.967 8.142 -2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.330 8.420 -3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.125 10.063 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.712 10.253 -3.264 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.086 11.096 -3.986 1.00 0.00 H new ATOM 857 N LEU A 62 2.434 3.664 -1.016 1.00 0.00 N ATOM 858 CA LEU A 62 1.267 3.085 -1.671 1.00 0.00 C ATOM 859 C LEU A 62 0.306 4.176 -2.135 1.00 0.00 C ATOM 860 O LEU A 62 0.084 5.163 -1.433 1.00 0.00 O ATOM 861 CB LEU A 62 0.547 2.127 -0.721 1.00 0.00 C ATOM 862 CG LEU A 62 -0.838 1.656 -1.165 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.252 0.411 -0.395 1.00 0.00 C ATOM 864 CD2 LEU A 62 -1.863 2.765 -0.980 1.00 0.00 C ATOM 0 H LEU A 62 2.404 3.633 0.003 1.00 0.00 H new ATOM 0 HA LEU A 62 1.609 2.531 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.177 1.250 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.449 2.614 0.249 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.792 1.404 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.240 0.091 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.532 -0.387 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.281 0.635 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.843 2.412 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.906 3.049 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.575 3.630 -1.578 1.00 0.00 H new ATOM 876 N THR A 63 -0.263 3.990 -3.322 1.00 0.00 N ATOM 877 CA THR A 63 -1.201 4.957 -3.879 1.00 0.00 C ATOM 878 C THR A 63 -2.604 4.370 -3.974 1.00 0.00 C ATOM 879 O THR A 63 -3.592 5.102 -4.010 1.00 0.00 O ATOM 880 CB THR A 63 -0.757 5.428 -5.277 1.00 0.00 C ATOM 881 OG1 THR A 63 -0.932 4.371 -6.228 1.00 0.00 O ATOM 882 CG2 THR A 63 0.698 5.869 -5.264 1.00 0.00 C ATOM 0 H THR A 63 -0.091 3.179 -3.916 1.00 0.00 H new ATOM 0 HA THR A 63 -1.214 5.812 -3.203 1.00 0.00 H new ATOM 0 HB THR A 63 -1.375 6.280 -5.562 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.416 3.588 -5.945 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.988 6.197 -6.262 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.822 6.693 -4.561 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.329 5.034 -4.959 1.00 0.00 H new ATOM 890 N ALA A 64 -2.685 3.044 -4.014 1.00 0.00 N ATOM 891 CA ALA A 64 -3.968 2.359 -4.102 1.00 0.00 C ATOM 892 C ALA A 64 -3.809 0.862 -3.857 1.00 0.00 C ATOM 893 O ALA A 64 -2.692 0.359 -3.732 1.00 0.00 O ATOM 894 CB ALA A 64 -4.607 2.608 -5.460 1.00 0.00 C ATOM 0 H ALA A 64 -1.876 2.423 -3.987 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.620 2.761 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.565 2.090 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.765 3.678 -5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.950 2.235 -6.245 1.00 0.00 H new ATOM 900 N ILE A 65 -4.933 0.156 -3.787 1.00 0.00 N ATOM 901 CA ILE A 65 -4.917 -1.283 -3.557 1.00 0.00 C ATOM 902 C ILE A 65 -6.054 -1.972 -4.304 1.00 0.00 C ATOM 903 O ILE A 65 -7.227 -1.675 -4.081 1.00 0.00 O ATOM 904 CB ILE A 65 -5.029 -1.614 -2.057 1.00 0.00 C ATOM 905 CG1 ILE A 65 -3.843 -1.023 -1.292 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.102 -3.120 -1.851 1.00 0.00 C ATOM 907 CD1 ILE A 65 -3.916 -1.246 0.202 1.00 0.00 C ATOM 0 H ILE A 65 -5.865 0.557 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.963 -1.652 -3.932 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.945 -1.169 -1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.921 -1.462 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.791 0.048 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.181 -3.338 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.976 -3.516 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.202 -3.586 -2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.043 -0.801 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.821 -0.782 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.937 -2.316 0.410 1.00 0.00 H new ATOM 919 N ASN A 66 -5.698 -2.895 -5.191 1.00 0.00 N ATOM 920 CA ASN A 66 -6.689 -3.628 -5.971 1.00 0.00 C ATOM 921 C ASN A 66 -7.625 -2.669 -6.700 1.00 0.00 C ATOM 922 O ASN A 66 -8.776 -3.001 -6.980 1.00 0.00 O ATOM 923 CB ASN A 66 -7.498 -4.557 -5.064 1.00 0.00 C ATOM 924 CG ASN A 66 -6.677 -5.726 -4.555 1.00 0.00 C ATOM 925 OD1 ASN A 66 -5.984 -6.394 -5.323 1.00 0.00 O ATOM 926 ND2 ASN A 66 -6.751 -5.979 -3.253 1.00 0.00 N ATOM 0 H ASN A 66 -4.731 -3.153 -5.388 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.160 -4.226 -6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.882 -3.989 -4.216 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.361 -4.934 -5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.221 -6.753 -2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.338 -5.399 -2.653 1.00 0.00 H new ATOM 933 N GLY A 67 -7.123 -1.476 -7.005 1.00 0.00 N ATOM 934 CA GLY A 67 -7.927 -0.487 -7.699 1.00 0.00 C ATOM 935 C GLY A 67 -8.712 0.392 -6.747 1.00 0.00 C ATOM 936 O GLY A 67 -9.885 0.685 -6.983 1.00 0.00 O ATOM 0 H GLY A 67 -6.173 -1.177 -6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.279 0.137 -8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.617 -0.993 -8.374 1.00 0.00 H new ATOM 940 N THR A 68 -8.066 0.816 -5.665 1.00 0.00 N ATOM 941 CA THR A 68 -8.713 1.665 -4.672 1.00 0.00 C ATOM 942 C THR A 68 -7.871 2.900 -4.374 1.00 0.00 C ATOM 943 O THR A 68 -7.002 2.875 -3.502 1.00 0.00 O ATOM 944 CB THR A 68 -8.966 0.900 -3.359 1.00 0.00 C ATOM 945 OG1 THR A 68 -9.829 -0.216 -3.600 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.589 1.813 -2.313 1.00 0.00 C ATOM 0 H THR A 68 -7.095 0.585 -5.454 1.00 0.00 H new ATOM 0 HA THR A 68 -9.670 1.974 -5.094 1.00 0.00 H new ATOM 0 HB THR A 68 -8.008 0.542 -2.982 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.290 -1.004 -3.823 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.759 1.251 -1.394 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.916 2.646 -2.110 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.539 2.197 -2.684 1.00 0.00 H new ATOM 954 N SER A 69 -8.135 3.980 -5.101 1.00 0.00 N ATOM 955 CA SER A 69 -7.399 5.226 -4.916 1.00 0.00 C ATOM 956 C SER A 69 -7.400 5.644 -3.449 1.00 0.00 C ATOM 957 O SER A 69 -8.314 6.329 -2.987 1.00 0.00 O ATOM 958 CB SER A 69 -8.009 6.335 -5.775 1.00 0.00 C ATOM 959 OG SER A 69 -9.421 6.232 -5.816 1.00 0.00 O ATOM 0 H SER A 69 -8.853 4.018 -5.824 1.00 0.00 H new ATOM 0 HA SER A 69 -6.368 5.061 -5.228 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.724 7.308 -5.374 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.608 6.277 -6.787 1.00 0.00 H new ATOM 0 HG SER A 69 -9.786 6.953 -6.370 1.00 0.00 H new ATOM 965 N LEU A 70 -6.370 5.228 -2.721 1.00 0.00 N ATOM 966 CA LEU A 70 -6.250 5.558 -1.306 1.00 0.00 C ATOM 967 C LEU A 70 -5.600 6.925 -1.119 1.00 0.00 C ATOM 968 O LEU A 70 -5.807 7.590 -0.104 1.00 0.00 O ATOM 969 CB LEU A 70 -5.433 4.489 -0.579 1.00 0.00 C ATOM 970 CG LEU A 70 -6.146 3.161 -0.318 1.00 0.00 C ATOM 971 CD1 LEU A 70 -5.175 2.136 0.246 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.320 3.364 0.628 1.00 0.00 C ATOM 0 H LEU A 70 -5.605 4.661 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.253 5.591 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.535 4.288 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.107 4.897 0.378 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.530 2.784 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.700 1.198 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.367 1.969 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.761 2.505 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.816 2.409 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.959 3.764 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.028 4.064 0.185 1.00 0.00 H new ATOM 984 N VAL A 71 -4.813 7.340 -2.107 1.00 0.00 N ATOM 985 CA VAL A 71 -4.134 8.630 -2.053 1.00 0.00 C ATOM 986 C VAL A 71 -5.124 9.762 -1.801 1.00 0.00 C ATOM 987 O VAL A 71 -5.990 10.040 -2.630 1.00 0.00 O ATOM 988 CB VAL A 71 -3.367 8.915 -3.358 1.00 0.00 C ATOM 989 CG1 VAL A 71 -4.270 8.707 -4.565 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.799 10.326 -3.345 1.00 0.00 C ATOM 0 H VAL A 71 -4.630 6.802 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.425 8.580 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.536 8.214 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.711 8.913 -5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.624 7.676 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.123 9.383 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.260 10.510 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.613 11.045 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.116 10.436 -2.502 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.989 10.412 -0.649 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.878 11.507 -0.308 1.00 0.00 C ATOM 1002 C GLY A 72 -6.917 11.111 0.722 1.00 0.00 C ATOM 1003 O GLY A 72 -8.002 11.692 0.777 1.00 0.00 O ATOM 0 H GLY A 72 -4.281 10.200 0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.291 12.342 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.380 11.858 -1.210 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.588 10.118 1.541 1.00 0.00 N ATOM 1008 CA LEU A 73 -7.501 9.642 2.574 1.00 0.00 C ATOM 1009 C LEU A 73 -6.780 9.484 3.908 1.00 0.00 C ATOM 1010 O LEU A 73 -5.561 9.321 3.967 1.00 0.00 O ATOM 1011 CB LEU A 73 -8.125 8.309 2.156 1.00 0.00 C ATOM 1012 CG LEU A 73 -9.246 8.388 1.120 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -9.650 6.995 0.663 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -10.446 9.133 1.687 1.00 0.00 C ATOM 0 H LEU A 73 -5.695 9.627 1.510 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.291 10.383 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.336 7.670 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.515 7.818 3.047 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.876 8.939 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.449 7.071 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.791 6.495 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.000 6.419 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.234 9.179 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.816 8.610 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.149 10.145 1.964 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.549 9.530 5.006 1.00 0.00 N ATOM 1027 CA PRO A 74 -7.005 9.390 6.360 1.00 0.00 C ATOM 1028 C PRO A 74 -6.513 7.975 6.644 1.00 0.00 C ATOM 1029 O PRO A 74 -7.108 6.997 6.190 1.00 0.00 O ATOM 1030 CB PRO A 74 -8.196 9.733 7.258 1.00 0.00 C ATOM 1031 CG PRO A 74 -9.396 9.420 6.432 1.00 0.00 C ATOM 1032 CD PRO A 74 -9.009 9.721 5.010 1.00 0.00 C ATOM 0 HA PRO A 74 -6.136 10.029 6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.182 9.145 8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.181 10.782 7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.686 8.375 6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.250 10.023 6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.504 9.050 4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.282 10.737 4.726 1.00 0.00 H new ATOM 1040 N LEU A 75 -5.424 7.872 7.398 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.852 6.576 7.744 1.00 0.00 C ATOM 1042 C LEU A 75 -5.950 5.545 7.992 1.00 0.00 C ATOM 1043 O LEU A 75 -5.918 4.446 7.440 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.966 6.701 8.984 1.00 0.00 C ATOM 1045 CG LEU A 75 -3.332 5.405 9.490 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.410 4.814 8.435 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.572 5.653 10.785 1.00 0.00 C ATOM 0 H LEU A 75 -4.919 8.671 7.782 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.245 6.239 6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.168 7.411 8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.562 7.129 9.790 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.128 4.688 9.690 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.968 3.892 8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.981 4.599 7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.619 5.527 8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.127 4.720 11.130 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.785 6.387 10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.258 6.030 11.543 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.920 5.910 8.824 1.00 0.00 N ATOM 1060 CA ALA A 76 -8.029 5.020 9.141 1.00 0.00 C ATOM 1061 C ALA A 76 -8.516 4.285 7.897 1.00 0.00 C ATOM 1062 O ALA A 76 -8.644 3.061 7.898 1.00 0.00 O ATOM 1063 CB ALA A 76 -9.169 5.802 9.775 1.00 0.00 C ATOM 0 H ALA A 76 -6.960 6.816 9.290 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.673 4.276 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.991 5.124 10.006 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.819 6.275 10.693 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.515 6.568 9.081 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.789 5.040 6.838 1.00 0.00 N ATOM 1070 CA ALA A 77 -9.261 4.460 5.587 1.00 0.00 C ATOM 1071 C ALA A 77 -8.339 3.339 5.120 1.00 0.00 C ATOM 1072 O ALA A 77 -8.793 2.233 4.822 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.373 5.535 4.516 1.00 0.00 C ATOM 0 H ALA A 77 -8.691 6.055 6.822 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.249 4.033 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.727 5.088 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.077 6.301 4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.395 5.988 4.351 1.00 0.00 H new ATOM 1079 N CYS A 78 -7.045 3.630 5.057 1.00 0.00 N ATOM 1080 CA CYS A 78 -6.059 2.646 4.624 1.00 0.00 C ATOM 1081 C CYS A 78 -6.031 1.452 5.571 1.00 0.00 C ATOM 1082 O CYS A 78 -6.066 0.301 5.135 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.672 3.284 4.546 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.555 4.659 3.378 1.00 0.00 S ATOM 0 H CYS A 78 -6.653 4.540 5.300 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.344 2.293 3.633 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.391 3.639 5.538 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.948 2.520 4.264 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.345 5.133 3.386 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.967 1.733 6.869 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.932 0.681 7.878 1.00 0.00 C ATOM 1092 C GLN A 79 -7.131 -0.250 7.735 1.00 0.00 C ATOM 1093 O GLN A 79 -7.033 -1.449 7.997 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.908 1.291 9.280 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.548 1.838 9.683 1.00 0.00 C ATOM 1096 CD GLN A 79 -3.554 0.744 10.019 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -3.716 -0.405 9.607 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -2.519 1.096 10.772 1.00 0.00 N ATOM 0 H GLN A 79 -5.938 2.680 7.246 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.023 0.098 7.728 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.643 2.095 9.330 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.214 0.534 10.002 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.151 2.447 8.871 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.666 2.494 10.546 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.425 2.060 11.091 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.818 0.402 11.031 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.262 0.309 7.318 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.480 -0.472 7.139 1.00 0.00 C ATOM 1109 C ALA A 80 -9.444 -1.253 5.831 1.00 0.00 C ATOM 1110 O ALA A 80 -9.885 -2.400 5.769 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.700 0.437 7.181 1.00 0.00 C ATOM 0 H ALA A 80 -8.360 1.300 7.098 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.546 -1.189 7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.603 -0.159 7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.742 0.946 8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.631 1.176 6.383 1.00 0.00 H new ATOM 1117 N ALA A 81 -8.916 -0.624 4.786 1.00 0.00 N ATOM 1118 CA ALA A 81 -8.821 -1.261 3.478 1.00 0.00 C ATOM 1119 C ALA A 81 -7.832 -2.422 3.503 1.00 0.00 C ATOM 1120 O ALA A 81 -8.161 -3.540 3.106 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.417 -0.243 2.423 1.00 0.00 C ATOM 0 H ALA A 81 -8.547 0.326 4.820 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.803 -1.660 3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.350 -0.733 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.163 0.551 2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.448 0.184 2.682 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.618 -2.148 3.972 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.581 -3.170 4.049 1.00 0.00 C ATOM 1129 C VAL A 82 -6.055 -4.375 4.853 1.00 0.00 C ATOM 1130 O VAL A 82 -5.572 -5.491 4.661 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.294 -2.615 4.687 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.525 -2.283 6.153 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.151 -3.608 4.531 1.00 0.00 C ATOM 0 H VAL A 82 -6.329 -1.228 4.304 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.367 -3.481 3.027 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.020 -1.696 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.605 -1.892 6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.312 -1.534 6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.824 -3.185 6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.249 -3.200 4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.414 -4.545 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.970 -3.791 3.472 1.00 0.00 H new ATOM 1143 N ARG A 83 -7.005 -4.143 5.753 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.545 -5.210 6.587 1.00 0.00 C ATOM 1145 C ARG A 83 -8.585 -6.024 5.823 1.00 0.00 C ATOM 1146 O ARG A 83 -8.596 -7.252 5.889 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.169 -4.627 7.856 1.00 0.00 C ATOM 1148 CG ARG A 83 -7.176 -4.436 8.991 1.00 0.00 C ATOM 1149 CD ARG A 83 -7.777 -3.622 10.126 1.00 0.00 C ATOM 1150 NE ARG A 83 -6.752 -2.941 10.913 1.00 0.00 N ATOM 1151 CZ ARG A 83 -6.998 -2.322 12.062 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -8.228 -2.299 12.556 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -6.013 -1.725 12.720 1.00 0.00 N ATOM 0 H ARG A 83 -7.417 -3.225 5.923 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.724 -5.871 6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.625 -3.666 7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.970 -5.285 8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.860 -5.409 9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.284 -3.935 8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.469 -2.886 9.717 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.357 -4.278 10.775 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.795 -2.941 10.561 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.988 -2.757 12.053 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.414 -1.823 13.439 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.065 -1.741 12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.203 -1.250 13.602 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.457 -5.329 5.099 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.502 -5.988 4.324 1.00 0.00 C ATOM 1169 C GLU A 84 -9.901 -6.985 3.338 1.00 0.00 C ATOM 1170 O GLU A 84 -10.402 -8.100 3.180 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.340 -4.952 3.572 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.444 -4.335 4.414 1.00 0.00 C ATOM 1173 CD GLU A 84 -13.728 -5.141 4.375 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -14.022 -5.736 3.317 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -14.437 -5.178 5.402 1.00 0.00 O ATOM 0 H GLU A 84 -9.461 -4.311 5.033 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.145 -6.531 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.684 -4.160 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.784 -5.423 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.104 -4.250 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.644 -3.324 4.060 1.00 0.00 H new ATOM 1182 N THR A 85 -8.823 -6.577 2.676 1.00 0.00 N ATOM 1183 CA THR A 85 -8.154 -7.432 1.704 1.00 0.00 C ATOM 1184 C THR A 85 -7.832 -8.797 2.302 1.00 0.00 C ATOM 1185 O THR A 85 -7.744 -9.795 1.586 1.00 0.00 O ATOM 1186 CB THR A 85 -6.851 -6.789 1.192 1.00 0.00 C ATOM 1187 OG1 THR A 85 -6.042 -6.375 2.298 1.00 0.00 O ATOM 1188 CG2 THR A 85 -7.152 -5.592 0.302 1.00 0.00 C ATOM 0 H THR A 85 -8.395 -5.659 2.796 1.00 0.00 H new ATOM 0 HA THR A 85 -8.842 -7.557 0.868 1.00 0.00 H new ATOM 0 HB THR A 85 -6.311 -7.532 0.605 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.590 -6.342 3.110 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.217 -5.154 -0.048 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.744 -5.915 -0.554 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.711 -4.848 0.870 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.658 -8.835 3.619 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.348 -10.078 4.315 1.00 0.00 C ATOM 1198 C LYS A 86 -8.270 -11.203 3.856 1.00 0.00 C ATOM 1199 O LYS A 86 -7.829 -12.332 3.641 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.475 -9.885 5.827 1.00 0.00 C ATOM 1201 CG LYS A 86 -6.935 -11.051 6.637 1.00 0.00 C ATOM 1202 CD LYS A 86 -7.171 -10.853 8.125 1.00 0.00 C ATOM 1203 CE LYS A 86 -6.561 -11.983 8.941 1.00 0.00 C ATOM 1204 NZ LYS A 86 -6.875 -11.852 10.391 1.00 0.00 N ATOM 0 H LYS A 86 -7.727 -8.018 4.226 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.321 -10.353 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.945 -8.977 6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.525 -9.734 6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.414 -11.974 6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.867 -11.162 6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.741 -9.902 8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.242 -10.798 8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.934 -12.939 8.573 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.480 -11.988 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.442 -12.641 10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.497 -10.951 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.906 -11.872 10.526 1.00 0.00 H new ATOM 1218 N SER A 87 -9.553 -10.887 3.708 1.00 0.00 N ATOM 1219 CA SER A 87 -10.538 -11.872 3.277 1.00 0.00 C ATOM 1220 C SER A 87 -10.185 -12.426 1.899 1.00 0.00 C ATOM 1221 O SER A 87 -10.253 -13.633 1.669 1.00 0.00 O ATOM 1222 CB SER A 87 -11.934 -11.249 3.246 1.00 0.00 C ATOM 1223 OG SER A 87 -12.937 -12.234 3.428 1.00 0.00 O ATOM 0 H SER A 87 -9.934 -9.957 3.880 1.00 0.00 H new ATOM 0 HA SER A 87 -10.531 -12.694 3.993 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.016 -10.494 4.028 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.088 -10.741 2.294 1.00 0.00 H new ATOM 0 HG SER A 87 -13.820 -11.810 3.406 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.809 -11.535 0.989 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.446 -11.934 -0.366 1.00 0.00 C ATOM 1231 C GLN A 88 -8.132 -12.708 -0.372 1.00 0.00 C ATOM 1232 O GLN A 88 -7.409 -12.734 0.624 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.332 -10.704 -1.269 1.00 0.00 C ATOM 1234 CG GLN A 88 -10.434 -9.681 -1.047 1.00 0.00 C ATOM 1235 CD GLN A 88 -11.728 -10.312 -0.570 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -12.120 -11.381 -1.038 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -12.399 -9.651 0.365 1.00 0.00 N ATOM 0 H GLN A 88 -9.747 -10.532 1.164 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.232 -12.585 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.366 -10.228 -1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.351 -11.025 -2.310 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.100 -8.946 -0.314 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.618 -9.143 -1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.037 -8.768 0.725 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.277 -10.026 0.724 1.00 0.00 H new ATOM 1246 N THR A 89 -7.828 -13.339 -1.502 1.00 0.00 N ATOM 1247 CA THR A 89 -6.602 -14.115 -1.638 1.00 0.00 C ATOM 1248 C THR A 89 -5.634 -13.449 -2.609 1.00 0.00 C ATOM 1249 O THR A 89 -4.586 -14.006 -2.935 1.00 0.00 O ATOM 1250 CB THR A 89 -6.895 -15.547 -2.124 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.617 -15.507 -3.360 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.697 -16.318 -1.087 1.00 0.00 C ATOM 0 H THR A 89 -8.415 -13.328 -2.336 1.00 0.00 H new ATOM 0 HA THR A 89 -6.146 -14.161 -0.649 1.00 0.00 H new ATOM 0 HB THR A 89 -5.944 -16.057 -2.276 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.798 -16.421 -3.663 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.891 -17.326 -1.453 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.132 -16.373 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.644 -15.809 -0.907 1.00 0.00 H new ATOM 1260 N SER A 90 -5.991 -12.253 -3.067 1.00 0.00 N ATOM 1261 CA SER A 90 -5.155 -11.512 -4.003 1.00 0.00 C ATOM 1262 C SER A 90 -5.045 -10.047 -3.591 1.00 0.00 C ATOM 1263 O SER A 90 -6.041 -9.410 -3.248 1.00 0.00 O ATOM 1264 CB SER A 90 -5.724 -11.614 -5.419 1.00 0.00 C ATOM 1265 OG SER A 90 -7.094 -11.252 -5.445 1.00 0.00 O ATOM 0 H SER A 90 -6.854 -11.777 -2.805 1.00 0.00 H new ATOM 0 HA SER A 90 -4.158 -11.952 -3.988 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.160 -10.965 -6.089 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.607 -12.632 -5.789 1.00 0.00 H new ATOM 0 HG SER A 90 -7.255 -10.533 -4.798 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.826 -9.519 -3.629 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.584 -8.129 -3.261 1.00 0.00 C ATOM 1273 C VAL A 91 -2.579 -7.477 -4.205 1.00 0.00 C ATOM 1274 O VAL A 91 -1.406 -7.850 -4.235 1.00 0.00 O ATOM 1275 CB VAL A 91 -3.063 -8.013 -1.816 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.562 -6.604 -1.540 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -4.150 -8.405 -0.826 1.00 0.00 C ATOM 0 H VAL A 91 -2.991 -10.032 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.540 -7.611 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.226 -8.700 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.198 -6.542 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.751 -6.365 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.377 -5.894 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.765 -8.318 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.008 -7.744 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.456 -9.435 -1.011 1.00 0.00 H new ATOM 1287 N THR A 92 -3.047 -6.500 -4.976 1.00 0.00 N ATOM 1288 CA THR A 92 -2.191 -5.797 -5.922 1.00 0.00 C ATOM 1289 C THR A 92 -1.793 -4.425 -5.388 1.00 0.00 C ATOM 1290 O THR A 92 -2.605 -3.499 -5.361 1.00 0.00 O ATOM 1291 CB THR A 92 -2.884 -5.623 -7.286 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.320 -6.895 -7.779 1.00 0.00 O ATOM 1293 CG2 THR A 92 -1.944 -4.978 -8.293 1.00 0.00 C ATOM 0 H THR A 92 -4.015 -6.178 -4.963 1.00 0.00 H new ATOM 0 HA THR A 92 -1.297 -6.407 -6.053 1.00 0.00 H new ATOM 0 HB THR A 92 -3.747 -4.971 -7.150 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.761 -6.776 -8.646 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.456 -4.866 -9.249 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.637 -3.998 -7.928 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.064 -5.608 -8.425 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.540 -4.300 -4.966 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.034 -3.040 -4.434 1.00 0.00 C ATOM 1303 C LEU A 93 0.487 -2.145 -5.554 1.00 0.00 C ATOM 1304 O LEU A 93 1.153 -2.614 -6.477 1.00 0.00 O ATOM 1305 CB LEU A 93 1.078 -3.302 -3.417 1.00 0.00 C ATOM 1306 CG LEU A 93 0.662 -4.037 -2.142 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.866 -4.267 -1.242 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.416 -3.257 -1.405 1.00 0.00 C ATOM 0 H LEU A 93 0.145 -5.056 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.858 -2.528 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.862 -3.880 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.517 -2.345 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 93 0.253 -5.008 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.551 -4.791 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.606 -4.868 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.305 -3.307 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.700 -3.795 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.033 -2.272 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.288 -3.144 -2.049 1.00 0.00 H new ATOM 1320 N SER A 94 0.181 -0.855 -5.465 1.00 0.00 N ATOM 1321 CA SER A 94 0.617 0.105 -6.472 1.00 0.00 C ATOM 1322 C SER A 94 1.386 1.255 -5.829 1.00 0.00 C ATOM 1323 O SER A 94 0.809 2.090 -5.133 1.00 0.00 O ATOM 1324 CB SER A 94 -0.587 0.650 -7.243 1.00 0.00 C ATOM 1325 OG SER A 94 -0.890 -0.167 -8.360 1.00 0.00 O ATOM 0 H SER A 94 -0.367 -0.450 -4.706 1.00 0.00 H new ATOM 0 HA SER A 94 1.281 -0.410 -7.166 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.452 0.703 -6.582 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.379 1.666 -7.578 1.00 0.00 H new ATOM 0 HG SER A 94 -1.664 0.202 -8.835 1.00 0.00 H new ATOM 1331 N ILE A 95 2.693 1.291 -6.068 1.00 0.00 N ATOM 1332 CA ILE A 95 3.542 2.338 -5.514 1.00 0.00 C ATOM 1333 C ILE A 95 4.271 3.097 -6.618 1.00 0.00 C ATOM 1334 O ILE A 95 4.292 2.667 -7.772 1.00 0.00 O ATOM 1335 CB ILE A 95 4.579 1.762 -4.532 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.511 0.787 -5.255 1.00 0.00 C ATOM 1337 CG2 ILE A 95 3.881 1.072 -3.370 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.742 1.447 -5.836 1.00 0.00 C ATOM 0 H ILE A 95 3.187 0.607 -6.642 1.00 0.00 H new ATOM 0 HA ILE A 95 2.887 3.023 -4.977 1.00 0.00 H new ATOM 0 HB ILE A 95 5.178 2.582 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.821 0.008 -4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.959 0.296 -6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.627 0.670 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.254 1.791 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.261 0.259 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.357 0.697 -6.333 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.441 2.206 -6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.316 1.914 -5.036 1.00 0.00 H new ATOM 1350 N VAL A 96 4.869 4.227 -6.256 1.00 0.00 N ATOM 1351 CA VAL A 96 5.602 5.045 -7.215 1.00 0.00 C ATOM 1352 C VAL A 96 7.090 4.714 -7.195 1.00 0.00 C ATOM 1353 O VAL A 96 7.692 4.574 -6.130 1.00 0.00 O ATOM 1354 CB VAL A 96 5.418 6.547 -6.929 1.00 0.00 C ATOM 1355 CG1 VAL A 96 6.211 7.382 -7.923 1.00 0.00 C ATOM 1356 CG2 VAL A 96 3.943 6.919 -6.965 1.00 0.00 C ATOM 0 H VAL A 96 4.860 4.597 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 96 5.195 4.818 -8.200 1.00 0.00 H new ATOM 0 HB VAL A 96 5.799 6.758 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.068 8.440 -7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.270 7.135 -7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.864 7.170 -8.934 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.831 7.984 -6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.535 6.694 -7.950 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.405 6.346 -6.210 1.00 0.00 H new