USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 429 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 11 LYS NZ :NH3+ -145:sc= 1.17 (180deg=0) USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0.791 USER MOD Single : A 7 SER OG : rot -24:sc= 0.153 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.342 X(o=0.34,f=0) USER MOD Single : A 21 SER OG : rot -91:sc= 0.663 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.914 K(o=0.91,f=-6.4!) USER MOD Single : A 28 GLN : amide:sc= -0.0291 K(o=-0.029,f=-0.62) USER MOD Single : A 31 ASN : amide:sc=-0.00901 X(o=-0.009,f=-0.41) USER MOD Single : A 36 ASN : amide:sc= -0.342 K(o=-0.34,f=-9.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.16 K(o=1.2,f=-0.032) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 72 LYS NZ :NH3+ -146:sc= -0.735! (180deg=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 6.456 4.141 -0.104 1.00 0.00 N ATOM 106 CA SER A 7 7.142 3.692 1.092 1.00 0.00 C ATOM 107 C SER A 7 7.496 2.215 0.980 1.00 0.00 C ATOM 108 O SER A 7 6.933 1.494 0.146 1.00 0.00 O ATOM 109 CB SER A 7 6.263 3.945 2.316 1.00 0.00 C ATOM 110 OG SER A 7 4.971 3.386 2.142 1.00 0.00 O ATOM 0 HA SER A 7 8.069 4.254 1.203 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.733 3.514 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.178 5.018 2.491 1.00 0.00 H new ATOM 0 HG SER A 7 4.774 3.310 1.185 1.00 0.00 H new ATOM 116 N GLU A 8 8.423 1.764 1.815 1.00 0.00 N ATOM 117 CA GLU A 8 8.835 0.371 1.798 1.00 0.00 C ATOM 118 C GLU A 8 7.698 -0.531 2.251 1.00 0.00 C ATOM 119 O GLU A 8 7.494 -1.594 1.681 1.00 0.00 O ATOM 120 CB GLU A 8 10.070 0.145 2.672 1.00 0.00 C ATOM 121 CG GLU A 8 11.321 0.829 2.146 1.00 0.00 C ATOM 122 CD GLU A 8 12.581 0.346 2.831 1.00 0.00 C ATOM 123 OE1 GLU A 8 12.912 0.864 3.919 1.00 0.00 O ATOM 124 OE2 GLU A 8 13.250 -0.560 2.286 1.00 0.00 O ATOM 0 H GLU A 8 8.900 2.341 2.508 1.00 0.00 H new ATOM 0 HA GLU A 8 9.096 0.117 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.864 0.508 3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.258 -0.926 2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.404 0.651 1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.227 1.906 2.284 1.00 0.00 H new ATOM 131 N GLU A 9 6.939 -0.086 3.249 1.00 0.00 N ATOM 132 CA GLU A 9 5.828 -0.866 3.779 1.00 0.00 C ATOM 133 C GLU A 9 4.816 -1.215 2.694 1.00 0.00 C ATOM 134 O GLU A 9 4.298 -2.331 2.658 1.00 0.00 O ATOM 135 CB GLU A 9 5.137 -0.099 4.898 1.00 0.00 C ATOM 136 CG GLU A 9 5.546 -0.550 6.289 1.00 0.00 C ATOM 137 CD GLU A 9 7.038 -0.450 6.522 1.00 0.00 C ATOM 138 OE1 GLU A 9 7.513 0.651 6.871 1.00 0.00 O ATOM 139 OE2 GLU A 9 7.741 -1.468 6.357 1.00 0.00 O ATOM 0 H GLU A 9 7.075 0.815 3.708 1.00 0.00 H new ATOM 0 HA GLU A 9 6.237 -1.797 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.359 0.963 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.058 -0.212 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.026 0.056 7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.227 -1.581 6.440 1.00 0.00 H new ATOM 146 N PHE A 10 4.555 -0.260 1.809 1.00 0.00 N ATOM 147 CA PHE A 10 3.601 -0.457 0.724 1.00 0.00 C ATOM 148 C PHE A 10 4.066 -1.590 -0.187 1.00 0.00 C ATOM 149 O PHE A 10 3.287 -2.463 -0.560 1.00 0.00 O ATOM 150 CB PHE A 10 3.443 0.842 -0.077 1.00 0.00 C ATOM 151 CG PHE A 10 2.328 0.815 -1.084 1.00 0.00 C ATOM 152 CD1 PHE A 10 1.015 0.996 -0.683 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.593 0.620 -2.429 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.015 0.984 -1.604 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.567 0.607 -3.357 1.00 0.00 C ATOM 156 CZ PHE A 10 0.261 0.787 -2.943 1.00 0.00 C ATOM 0 H PHE A 10 4.992 0.661 1.822 1.00 0.00 H new ATOM 0 HA PHE A 10 2.634 -0.728 1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.270 1.665 0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.379 1.053 -0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.793 1.148 0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.612 0.476 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.034 1.128 -1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.787 0.456 -4.404 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.542 0.774 -3.665 1.00 0.00 H new ATOM 166 N LYS A 11 5.349 -1.573 -0.527 1.00 0.00 N ATOM 167 CA LYS A 11 5.920 -2.586 -1.403 1.00 0.00 C ATOM 168 C LYS A 11 6.133 -3.904 -0.655 1.00 0.00 C ATOM 169 O LYS A 11 5.886 -4.979 -1.200 1.00 0.00 O ATOM 170 CB LYS A 11 7.242 -2.095 -1.984 1.00 0.00 C ATOM 171 CG LYS A 11 7.163 -0.703 -2.589 1.00 0.00 C ATOM 172 CD LYS A 11 8.503 -0.280 -3.154 1.00 0.00 C ATOM 173 CE LYS A 11 8.500 1.166 -3.619 1.00 0.00 C ATOM 174 NZ LYS A 11 9.859 1.608 -4.029 1.00 0.00 N ATOM 0 H LYS A 11 6.014 -0.868 -0.209 1.00 0.00 H new ATOM 0 HA LYS A 11 5.217 -2.765 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.998 -2.098 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.575 -2.796 -2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.411 -0.687 -3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.843 0.010 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.274 -0.414 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.763 -0.928 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.811 1.279 -4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.134 1.807 -2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.990 2.608 -3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.574 1.031 -3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.965 1.495 -5.057 1.00 0.00 H new ATOM 188 N ARG A 12 6.595 -3.808 0.591 1.00 0.00 N ATOM 189 CA ARG A 12 6.850 -4.986 1.424 1.00 0.00 C ATOM 190 C ARG A 12 5.586 -5.818 1.587 1.00 0.00 C ATOM 191 O ARG A 12 5.624 -7.044 1.478 1.00 0.00 O ATOM 192 CB ARG A 12 7.369 -4.576 2.809 1.00 0.00 C ATOM 193 CG ARG A 12 8.811 -4.091 2.829 1.00 0.00 C ATOM 194 CD ARG A 12 9.190 -3.563 4.204 1.00 0.00 C ATOM 195 NE ARG A 12 10.611 -3.237 4.299 1.00 0.00 N ATOM 196 CZ ARG A 12 11.128 -2.393 5.191 1.00 0.00 C ATOM 197 NH1 ARG A 12 10.340 -1.695 6.002 1.00 0.00 N ATOM 198 NH2 ARG A 12 12.442 -2.228 5.250 1.00 0.00 N ATOM 0 H ARG A 12 6.802 -2.921 1.050 1.00 0.00 H new ATOM 0 HA ARG A 12 7.610 -5.584 0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.729 -3.787 3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.277 -5.427 3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.477 -4.909 2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.945 -3.306 2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.600 -2.674 4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.939 -4.308 4.959 1.00 0.00 H new ATOM 0 HE ARG A 12 11.248 -3.684 3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.327 -1.802 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.748 -1.052 6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.050 -2.745 4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.845 -1.584 5.930 1.00 0.00 H new ATOM 212 N ASP A 13 4.470 -5.141 1.835 1.00 0.00 N ATOM 213 CA ASP A 13 3.185 -5.811 2.014 1.00 0.00 C ATOM 214 C ASP A 13 2.783 -6.534 0.739 1.00 0.00 C ATOM 215 O ASP A 13 2.296 -7.659 0.780 1.00 0.00 O ATOM 216 CB ASP A 13 2.104 -4.799 2.405 1.00 0.00 C ATOM 217 CG ASP A 13 0.744 -5.440 2.615 1.00 0.00 C ATOM 218 OD1 ASP A 13 0.538 -6.082 3.668 1.00 0.00 O ATOM 219 OD2 ASP A 13 -0.137 -5.270 1.750 1.00 0.00 O ATOM 0 H ASP A 13 4.429 -4.125 1.917 1.00 0.00 H new ATOM 0 HA ASP A 13 3.288 -6.542 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.405 -4.289 3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.026 -4.039 1.627 1.00 0.00 H new ATOM 224 N ALA A 14 3.015 -5.884 -0.397 1.00 0.00 N ATOM 225 CA ALA A 14 2.712 -6.479 -1.692 1.00 0.00 C ATOM 226 C ALA A 14 3.524 -7.754 -1.924 1.00 0.00 C ATOM 227 O ALA A 14 2.997 -8.760 -2.397 1.00 0.00 O ATOM 228 CB ALA A 14 2.971 -5.483 -2.810 1.00 0.00 C ATOM 0 H ALA A 14 3.412 -4.946 -0.446 1.00 0.00 H new ATOM 0 HA ALA A 14 1.655 -6.746 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.739 -5.945 -3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.341 -4.605 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.019 -5.184 -2.795 1.00 0.00 H new ATOM 234 N VAL A 15 4.810 -7.709 -1.586 1.00 0.00 N ATOM 235 CA VAL A 15 5.681 -8.872 -1.736 1.00 0.00 C ATOM 236 C VAL A 15 5.292 -9.963 -0.739 1.00 0.00 C ATOM 237 O VAL A 15 5.253 -11.145 -1.079 1.00 0.00 O ATOM 238 CB VAL A 15 7.173 -8.503 -1.555 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.064 -9.720 -1.775 1.00 0.00 C ATOM 240 CG2 VAL A 15 7.567 -7.382 -2.507 1.00 0.00 C ATOM 0 H VAL A 15 5.271 -6.882 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 15 5.549 -9.246 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 15 7.312 -8.156 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.108 -9.435 -1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.805 -10.496 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.917 -10.100 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.619 -7.137 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.406 -7.705 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.958 -6.501 -2.303 1.00 0.00 H new ATOM 250 N ALA A 16 4.975 -9.557 0.487 1.00 0.00 N ATOM 251 CA ALA A 16 4.579 -10.498 1.528 1.00 0.00 C ATOM 252 C ALA A 16 3.248 -11.156 1.184 1.00 0.00 C ATOM 253 O ALA A 16 3.020 -12.328 1.491 1.00 0.00 O ATOM 254 CB ALA A 16 4.494 -9.799 2.876 1.00 0.00 C ATOM 0 H ALA A 16 4.985 -8.581 0.783 1.00 0.00 H new ATOM 0 HA ALA A 16 5.339 -11.277 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.197 -10.517 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.467 -9.380 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.756 -8.998 2.825 1.00 0.00 H new ATOM 260 N LEU A 17 2.374 -10.396 0.539 1.00 0.00 N ATOM 261 CA LEU A 17 1.080 -10.905 0.117 1.00 0.00 C ATOM 262 C LEU A 17 1.261 -11.916 -1.011 1.00 0.00 C ATOM 263 O LEU A 17 0.501 -12.876 -1.123 1.00 0.00 O ATOM 264 CB LEU A 17 0.186 -9.747 -0.334 1.00 0.00 C ATOM 265 CG LEU A 17 -1.299 -10.086 -0.495 1.00 0.00 C ATOM 266 CD1 LEU A 17 -1.866 -10.647 0.800 1.00 0.00 C ATOM 267 CD2 LEU A 17 -2.080 -8.851 -0.925 1.00 0.00 C ATOM 0 H LEU A 17 2.541 -9.419 0.296 1.00 0.00 H new ATOM 0 HA LEU A 17 0.600 -11.407 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.280 -8.936 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.560 -9.371 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.395 -10.847 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.922 -10.881 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.325 -11.554 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.758 -9.909 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.134 -9.107 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.973 -8.072 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.693 -8.489 -1.877 1.00 0.00 H new ATOM 279 N TYR A 18 2.289 -11.701 -1.824 1.00 0.00 N ATOM 280 CA TYR A 18 2.623 -12.625 -2.904 1.00 0.00 C ATOM 281 C TYR A 18 3.084 -13.966 -2.340 1.00 0.00 C ATOM 282 O TYR A 18 2.917 -15.012 -2.970 1.00 0.00 O ATOM 283 CB TYR A 18 3.710 -12.037 -3.811 1.00 0.00 C ATOM 284 CG TYR A 18 4.141 -12.973 -4.919 1.00 0.00 C ATOM 285 CD1 TYR A 18 3.283 -13.275 -5.967 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.399 -13.564 -4.908 1.00 0.00 C ATOM 287 CE1 TYR A 18 3.667 -14.135 -6.976 1.00 0.00 C ATOM 288 CE2 TYR A 18 5.790 -14.424 -5.914 1.00 0.00 C ATOM 289 CZ TYR A 18 4.919 -14.708 -6.944 1.00 0.00 C ATOM 290 OH TYR A 18 5.302 -15.569 -7.947 1.00 0.00 O ATOM 0 H TYR A 18 2.908 -10.893 -1.756 1.00 0.00 H new ATOM 0 HA TYR A 18 1.724 -12.783 -3.499 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.343 -11.110 -4.251 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.578 -11.780 -3.205 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.299 -12.830 -5.994 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.081 -13.347 -4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.989 -14.358 -7.787 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.773 -14.872 -5.894 1.00 0.00 H new ATOM 0 HH TYR A 18 6.214 -15.885 -7.776 1.00 0.00 H new ATOM 300 N GLU A 19 3.667 -13.934 -1.149 1.00 0.00 N ATOM 301 CA GLU A 19 4.082 -15.160 -0.473 1.00 0.00 C ATOM 302 C GLU A 19 2.859 -15.993 -0.085 1.00 0.00 C ATOM 303 O GLU A 19 2.953 -17.199 0.141 1.00 0.00 O ATOM 304 CB GLU A 19 4.915 -14.839 0.768 1.00 0.00 C ATOM 305 CG GLU A 19 6.162 -14.028 0.471 1.00 0.00 C ATOM 306 CD GLU A 19 7.001 -13.782 1.707 1.00 0.00 C ATOM 307 OE1 GLU A 19 6.740 -12.798 2.427 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.924 -14.581 1.973 1.00 0.00 O ATOM 0 H GLU A 19 3.863 -13.077 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 19 4.698 -15.738 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.296 -14.291 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.205 -15.772 1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.762 -14.550 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.874 -13.071 0.035 1.00 0.00 H new ATOM 315 N ASN A 20 1.710 -15.332 -0.031 1.00 0.00 N ATOM 316 CA ASN A 20 0.449 -15.977 0.297 1.00 0.00 C ATOM 317 C ASN A 20 -0.444 -16.024 -0.937 1.00 0.00 C ATOM 318 O ASN A 20 -1.671 -16.004 -0.836 1.00 0.00 O ATOM 319 CB ASN A 20 -0.251 -15.203 1.417 1.00 0.00 C ATOM 320 CG ASN A 20 0.519 -15.243 2.725 1.00 0.00 C ATOM 321 OD1 ASN A 20 0.343 -16.154 3.532 1.00 0.00 O ATOM 322 ND2 ASN A 20 1.374 -14.253 2.951 1.00 0.00 N ATOM 0 H ASN A 20 1.628 -14.332 -0.214 1.00 0.00 H new ATOM 0 HA ASN A 20 0.644 -16.995 0.634 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.383 -14.166 1.109 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.247 -15.618 1.573 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.911 -14.231 3.818 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.494 -13.514 2.258 1.00 0.00 H new ATOM 329 N SER A 21 0.190 -16.119 -2.102 1.00 0.00 N ATOM 330 CA SER A 21 -0.507 -16.070 -3.386 1.00 0.00 C ATOM 331 C SER A 21 -1.506 -17.210 -3.567 1.00 0.00 C ATOM 332 O SER A 21 -2.331 -17.187 -4.479 1.00 0.00 O ATOM 333 CB SER A 21 0.505 -16.078 -4.518 1.00 0.00 C ATOM 334 OG SER A 21 1.511 -17.057 -4.300 1.00 0.00 O ATOM 0 H SER A 21 1.200 -16.232 -2.184 1.00 0.00 H new ATOM 0 HA SER A 21 -1.083 -15.145 -3.403 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.002 -16.278 -5.462 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.965 -15.094 -4.606 1.00 0.00 H new ATOM 0 HG SER A 21 2.262 -16.653 -3.817 1.00 0.00 H new ATOM 340 N ASP A 22 -1.415 -18.216 -2.718 1.00 0.00 N ATOM 341 CA ASP A 22 -2.390 -19.302 -2.723 1.00 0.00 C ATOM 342 C ASP A 22 -3.802 -18.765 -2.508 1.00 0.00 C ATOM 343 O ASP A 22 -4.774 -19.324 -3.016 1.00 0.00 O ATOM 344 CB ASP A 22 -2.064 -20.337 -1.648 1.00 0.00 C ATOM 345 CG ASP A 22 -0.787 -21.087 -1.942 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.286 -20.628 -1.505 1.00 0.00 O ATOM 347 OD2 ASP A 22 -0.850 -22.134 -2.617 1.00 0.00 O ATOM 0 H ASP A 22 -0.680 -18.308 -2.016 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.339 -19.784 -3.699 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.976 -19.839 -0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.888 -21.046 -1.567 1.00 0.00 H new ATOM 352 N GLY A 23 -3.902 -17.673 -1.766 1.00 0.00 N ATOM 353 CA GLY A 23 -5.189 -17.059 -1.513 1.00 0.00 C ATOM 354 C GLY A 23 -5.483 -15.919 -2.466 1.00 0.00 C ATOM 355 O GLY A 23 -6.623 -15.455 -2.561 1.00 0.00 O ATOM 0 H GLY A 23 -3.110 -17.198 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.971 -17.813 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.216 -16.688 -0.488 1.00 0.00 H new ATOM 359 N ALA A 24 -4.458 -15.472 -3.184 1.00 0.00 N ATOM 360 CA ALA A 24 -4.592 -14.352 -4.105 1.00 0.00 C ATOM 361 C ALA A 24 -3.472 -14.376 -5.138 1.00 0.00 C ATOM 362 O ALA A 24 -2.307 -14.190 -4.804 1.00 0.00 O ATOM 363 CB ALA A 24 -4.592 -13.033 -3.348 1.00 0.00 C ATOM 0 H ALA A 24 -3.521 -15.872 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.545 -14.447 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.693 -12.208 -4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.427 -13.015 -2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.656 -12.928 -2.799 1.00 0.00 H new ATOM 369 N SER A 25 -3.837 -14.624 -6.389 1.00 0.00 N ATOM 370 CA SER A 25 -2.869 -14.720 -7.476 1.00 0.00 C ATOM 371 C SER A 25 -2.135 -13.396 -7.712 1.00 0.00 C ATOM 372 O SER A 25 -2.566 -12.344 -7.241 1.00 0.00 O ATOM 373 CB SER A 25 -3.575 -15.156 -8.754 1.00 0.00 C ATOM 374 OG SER A 25 -4.210 -16.415 -8.582 1.00 0.00 O ATOM 0 H SER A 25 -4.805 -14.764 -6.679 1.00 0.00 H new ATOM 0 HA SER A 25 -2.123 -15.462 -7.191 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.315 -14.408 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.854 -15.217 -9.569 1.00 0.00 H new ATOM 0 HG SER A 25 -4.657 -16.672 -9.415 1.00 0.00 H new ATOM 380 N LEU A 26 -1.041 -13.470 -8.469 1.00 0.00 N ATOM 381 CA LEU A 26 -0.187 -12.316 -8.761 1.00 0.00 C ATOM 382 C LEU A 26 -0.993 -11.115 -9.257 1.00 0.00 C ATOM 383 O LEU A 26 -0.830 -9.998 -8.760 1.00 0.00 O ATOM 384 CB LEU A 26 0.858 -12.701 -9.811 1.00 0.00 C ATOM 385 CG LEU A 26 1.851 -11.598 -10.191 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.710 -11.216 -8.995 1.00 0.00 C ATOM 387 CD2 LEU A 26 2.722 -12.049 -11.355 1.00 0.00 C ATOM 0 H LEU A 26 -0.719 -14.337 -8.900 1.00 0.00 H new ATOM 0 HA LEU A 26 0.303 -12.025 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.419 -13.559 -9.441 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.339 -13.024 -10.713 1.00 0.00 H new ATOM 0 HG LEU A 26 1.289 -10.717 -10.501 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.409 -10.431 -9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.071 -10.854 -8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.266 -12.089 -8.653 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.423 -11.255 -11.614 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.276 -12.943 -11.070 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.092 -12.272 -12.216 1.00 0.00 H new ATOM 399 N GLN A 27 -1.859 -11.345 -10.236 1.00 0.00 N ATOM 400 CA GLN A 27 -2.663 -10.265 -10.801 1.00 0.00 C ATOM 401 C GLN A 27 -3.623 -9.703 -9.757 1.00 0.00 C ATOM 402 O GLN A 27 -3.897 -8.504 -9.746 1.00 0.00 O ATOM 403 CB GLN A 27 -3.438 -10.747 -12.027 1.00 0.00 C ATOM 404 CG GLN A 27 -4.183 -9.633 -12.759 1.00 0.00 C ATOM 405 CD GLN A 27 -3.264 -8.512 -13.214 1.00 0.00 C ATOM 406 OE1 GLN A 27 -2.699 -8.556 -14.307 1.00 0.00 O ATOM 407 NE2 GLN A 27 -3.115 -7.492 -12.379 1.00 0.00 N ATOM 0 H GLN A 27 -2.023 -12.261 -10.653 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.985 -9.470 -11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.745 -11.224 -12.720 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.154 -11.508 -11.717 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.694 -10.052 -13.626 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.951 -9.224 -12.103 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.600 -7.492 -11.482 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.515 -6.707 -12.634 1.00 0.00 H new ATOM 416 N GLN A 28 -4.103 -10.567 -8.871 1.00 0.00 N ATOM 417 CA GLN A 28 -5.013 -10.157 -7.808 1.00 0.00 C ATOM 418 C GLN A 28 -4.290 -9.249 -6.818 1.00 0.00 C ATOM 419 O GLN A 28 -4.860 -8.279 -6.322 1.00 0.00 O ATOM 420 CB GLN A 28 -5.579 -11.390 -7.089 1.00 0.00 C ATOM 421 CG GLN A 28 -6.544 -11.064 -5.957 1.00 0.00 C ATOM 422 CD GLN A 28 -7.782 -10.328 -6.430 1.00 0.00 C ATOM 423 OE1 GLN A 28 -8.228 -10.498 -7.566 1.00 0.00 O ATOM 424 NE2 GLN A 28 -8.353 -9.517 -5.557 1.00 0.00 N ATOM 0 H GLN A 28 -3.876 -11.561 -8.868 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.841 -9.602 -8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.091 -12.019 -7.818 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.751 -11.975 -6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.844 -11.989 -5.464 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.030 -10.458 -5.211 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.951 -9.405 -4.626 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.196 -9.003 -5.814 1.00 0.00 H new ATOM 433 N ILE A 29 -3.022 -9.563 -6.552 1.00 0.00 N ATOM 434 CA ILE A 29 -2.195 -8.740 -5.674 1.00 0.00 C ATOM 435 C ILE A 29 -2.079 -7.330 -6.247 1.00 0.00 C ATOM 436 O ILE A 29 -2.400 -6.346 -5.581 1.00 0.00 O ATOM 437 CB ILE A 29 -0.768 -9.319 -5.503 1.00 0.00 C ATOM 438 CG1 ILE A 29 -0.814 -10.796 -5.096 1.00 0.00 C ATOM 439 CG2 ILE A 29 0.011 -8.508 -4.471 1.00 0.00 C ATOM 440 CD1 ILE A 29 -1.528 -11.057 -3.788 1.00 0.00 C ATOM 0 H ILE A 29 -2.547 -10.381 -6.933 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.680 -8.725 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.259 -9.251 -6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.307 -11.364 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.206 -11.173 -5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.012 -8.925 -4.360 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.084 -7.472 -4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.506 -8.547 -3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.516 -12.126 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.024 -10.520 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.560 -10.714 -3.862 1.00 0.00 H new ATOM 452 N ALA A 30 -1.638 -7.246 -7.500 1.00 0.00 N ATOM 453 CA ALA A 30 -1.484 -5.964 -8.178 1.00 0.00 C ATOM 454 C ALA A 30 -2.826 -5.250 -8.306 1.00 0.00 C ATOM 455 O ALA A 30 -2.893 -4.020 -8.309 1.00 0.00 O ATOM 456 CB ALA A 30 -0.858 -6.166 -9.551 1.00 0.00 C ATOM 0 H ALA A 30 -1.381 -8.054 -8.067 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.823 -5.338 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.749 -5.201 -10.046 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.122 -6.630 -9.439 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.499 -6.812 -10.152 1.00 0.00 H new ATOM 462 N ASN A 31 -3.888 -6.036 -8.395 1.00 0.00 N ATOM 463 CA ASN A 31 -5.236 -5.504 -8.545 1.00 0.00 C ATOM 464 C ASN A 31 -5.656 -4.760 -7.281 1.00 0.00 C ATOM 465 O ASN A 31 -6.166 -3.643 -7.348 1.00 0.00 O ATOM 466 CB ASN A 31 -6.217 -6.643 -8.830 1.00 0.00 C ATOM 467 CG ASN A 31 -7.323 -6.241 -9.786 1.00 0.00 C ATOM 468 OD1 ASN A 31 -7.704 -5.075 -9.862 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.847 -7.208 -10.522 1.00 0.00 N ATOM 0 H ASN A 31 -3.842 -7.055 -8.366 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.246 -4.806 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.672 -7.490 -9.248 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.658 -6.979 -7.892 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.595 -6.998 -11.182 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.502 -8.164 -10.429 1.00 0.00 H new ATOM 476 N ASP A 32 -5.420 -5.378 -6.128 1.00 0.00 N ATOM 477 CA ASP A 32 -5.780 -4.774 -4.847 1.00 0.00 C ATOM 478 C ASP A 32 -4.894 -3.573 -4.549 1.00 0.00 C ATOM 479 O ASP A 32 -5.362 -2.549 -4.053 1.00 0.00 O ATOM 480 CB ASP A 32 -5.671 -5.789 -3.704 1.00 0.00 C ATOM 481 CG ASP A 32 -6.108 -5.200 -2.373 1.00 0.00 C ATOM 482 OD1 ASP A 32 -7.301 -4.852 -2.239 1.00 0.00 O ATOM 483 OD2 ASP A 32 -5.264 -5.076 -1.460 1.00 0.00 O ATOM 0 H ASP A 32 -4.982 -6.296 -6.053 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.816 -4.444 -4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.285 -6.660 -3.933 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.641 -6.137 -3.625 1.00 0.00 H new ATOM 488 N LEU A 33 -3.613 -3.697 -4.866 1.00 0.00 N ATOM 489 CA LEU A 33 -2.669 -2.606 -4.660 1.00 0.00 C ATOM 490 C LEU A 33 -2.928 -1.472 -5.650 1.00 0.00 C ATOM 491 O LEU A 33 -2.481 -0.343 -5.446 1.00 0.00 O ATOM 492 CB LEU A 33 -1.225 -3.105 -4.785 1.00 0.00 C ATOM 493 CG LEU A 33 -0.596 -3.685 -3.506 1.00 0.00 C ATOM 494 CD1 LEU A 33 -0.537 -2.630 -2.414 1.00 0.00 C ATOM 495 CD2 LEU A 33 -1.358 -4.910 -3.019 1.00 0.00 C ATOM 0 H LEU A 33 -3.203 -4.541 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.814 -2.221 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.192 -3.870 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.604 -2.277 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 33 0.420 -3.996 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.089 -3.059 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.066 -1.788 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.546 -2.285 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.888 -5.295 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.390 -4.634 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.342 -5.679 -3.791 1.00 0.00 H new ATOM 507 N GLY A 34 -3.661 -1.782 -6.711 1.00 0.00 N ATOM 508 CA GLY A 34 -4.012 -0.781 -7.695 1.00 0.00 C ATOM 509 C GLY A 34 -2.827 -0.367 -8.540 1.00 0.00 C ATOM 510 O GLY A 34 -2.638 0.820 -8.817 1.00 0.00 O ATOM 0 H GLY A 34 -4.020 -2.716 -6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.798 -1.170 -8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.419 0.095 -7.190 1.00 0.00 H new ATOM 514 N ILE A 35 -2.024 -1.345 -8.940 1.00 0.00 N ATOM 515 CA ILE A 35 -0.822 -1.089 -9.715 1.00 0.00 C ATOM 516 C ILE A 35 -0.707 -2.070 -10.874 1.00 0.00 C ATOM 517 O ILE A 35 -1.334 -3.131 -10.867 1.00 0.00 O ATOM 518 CB ILE A 35 0.449 -1.208 -8.848 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.463 -2.552 -8.110 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.550 -0.041 -7.875 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.713 -2.784 -7.291 1.00 0.00 C ATOM 0 H ILE A 35 -2.188 -2.331 -8.737 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.904 -0.070 -10.094 1.00 0.00 H new ATOM 0 HB ILE A 35 1.322 -1.169 -9.500 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.406 -2.605 -7.454 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.362 -3.357 -8.838 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.453 -0.145 -7.274 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.591 0.895 -8.432 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.322 -0.036 -7.221 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.650 -3.754 -6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.585 -2.764 -7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.806 -2.001 -6.539 1.00 0.00 H new ATOM 533 N ASN A 36 0.089 -1.699 -11.865 1.00 0.00 N ATOM 534 CA ASN A 36 0.391 -2.569 -12.988 1.00 0.00 C ATOM 535 C ASN A 36 1.097 -3.828 -12.496 1.00 0.00 C ATOM 536 O ASN A 36 1.890 -3.779 -11.551 1.00 0.00 O ATOM 537 CB ASN A 36 1.282 -1.807 -13.975 1.00 0.00 C ATOM 538 CG ASN A 36 1.432 -2.477 -15.327 1.00 0.00 C ATOM 539 OD1 ASN A 36 1.419 -3.701 -15.453 1.00 0.00 O ATOM 540 ND2 ASN A 36 1.573 -1.665 -16.355 1.00 0.00 N ATOM 0 H ASN A 36 0.543 -0.787 -11.912 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.531 -2.867 -13.486 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.870 -0.808 -14.121 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.270 -1.683 -13.533 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.676 -2.046 -17.295 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.579 -0.655 -16.210 1.00 0.00 H new ATOM 547 N ARG A 37 0.810 -4.945 -13.148 1.00 0.00 N ATOM 548 CA ARG A 37 1.430 -6.221 -12.810 1.00 0.00 C ATOM 549 C ARG A 37 2.949 -6.111 -12.917 1.00 0.00 C ATOM 550 O ARG A 37 3.687 -6.668 -12.102 1.00 0.00 O ATOM 551 CB ARG A 37 0.927 -7.318 -13.751 1.00 0.00 C ATOM 552 CG ARG A 37 1.405 -8.712 -13.372 1.00 0.00 C ATOM 553 CD ARG A 37 1.217 -9.705 -14.509 1.00 0.00 C ATOM 554 NE ARG A 37 -0.182 -9.854 -14.908 1.00 0.00 N ATOM 555 CZ ARG A 37 -0.659 -10.923 -15.545 1.00 0.00 C ATOM 556 NH1 ARG A 37 0.138 -11.953 -15.815 1.00 0.00 N ATOM 557 NH2 ARG A 37 -1.934 -10.965 -15.911 1.00 0.00 N ATOM 0 H ARG A 37 0.146 -4.995 -13.921 1.00 0.00 H new ATOM 0 HA ARG A 37 1.161 -6.478 -11.786 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.163 -7.306 -13.759 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.256 -7.094 -14.766 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.459 -8.672 -13.096 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.858 -9.057 -12.494 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.802 -9.380 -15.369 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.609 -10.676 -14.205 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.829 -9.097 -14.686 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.118 -11.927 -15.534 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.231 -12.769 -16.303 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.550 -10.179 -15.705 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.298 -11.784 -16.399 1.00 0.00 H new ATOM 571 N VAL A 38 3.403 -5.375 -13.927 1.00 0.00 N ATOM 572 CA VAL A 38 4.824 -5.159 -14.153 1.00 0.00 C ATOM 573 C VAL A 38 5.436 -4.381 -12.990 1.00 0.00 C ATOM 574 O VAL A 38 6.525 -4.708 -12.513 1.00 0.00 O ATOM 575 CB VAL A 38 5.069 -4.394 -15.470 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.558 -4.251 -15.743 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.376 -5.089 -16.632 1.00 0.00 C ATOM 0 H VAL A 38 2.798 -4.915 -14.607 1.00 0.00 H new ATOM 0 HA VAL A 38 5.300 -6.137 -14.225 1.00 0.00 H new ATOM 0 HB VAL A 38 4.645 -3.395 -15.366 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.706 -3.708 -16.677 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.027 -3.702 -14.926 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.010 -5.240 -15.822 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.561 -4.533 -17.551 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.766 -6.102 -16.735 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.303 -5.131 -16.443 1.00 0.00 H new ATOM 587 N THR A 39 4.720 -3.365 -12.528 1.00 0.00 N ATOM 588 CA THR A 39 5.180 -2.540 -11.421 1.00 0.00 C ATOM 589 C THR A 39 5.290 -3.369 -10.141 1.00 0.00 C ATOM 590 O THR A 39 6.277 -3.268 -9.410 1.00 0.00 O ATOM 591 CB THR A 39 4.224 -1.355 -11.196 1.00 0.00 C ATOM 592 OG1 THR A 39 3.941 -0.728 -12.455 1.00 0.00 O ATOM 593 CG2 THR A 39 4.832 -0.332 -10.246 1.00 0.00 C ATOM 0 H THR A 39 3.813 -3.092 -12.906 1.00 0.00 H new ATOM 0 HA THR A 39 6.167 -2.153 -11.675 1.00 0.00 H new ATOM 0 HB THR A 39 3.305 -1.734 -10.749 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.331 0.026 -12.315 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.135 0.494 -10.106 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.034 -0.804 -9.284 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.763 0.047 -10.667 1.00 0.00 H new ATOM 601 N LEU A 40 4.284 -4.204 -9.896 1.00 0.00 N ATOM 602 CA LEU A 40 4.283 -5.093 -8.743 1.00 0.00 C ATOM 603 C LEU A 40 5.503 -6.009 -8.769 1.00 0.00 C ATOM 604 O LEU A 40 6.226 -6.130 -7.778 1.00 0.00 O ATOM 605 CB LEU A 40 3.006 -5.939 -8.732 1.00 0.00 C ATOM 606 CG LEU A 40 2.919 -6.964 -7.601 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.796 -6.274 -6.255 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.758 -7.915 -7.824 1.00 0.00 C ATOM 0 H LEU A 40 3.455 -4.282 -10.486 1.00 0.00 H new ATOM 0 HA LEU A 40 4.321 -4.483 -7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.147 -5.272 -8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.928 -6.464 -9.684 1.00 0.00 H new ATOM 0 HG LEU A 40 3.841 -7.546 -7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.736 -7.024 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.668 -5.642 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.895 -5.660 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.716 -8.635 -7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.826 -7.350 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.897 -8.444 -8.767 1.00 0.00 H new ATOM 620 N LYS A 41 5.725 -6.637 -9.919 1.00 0.00 N ATOM 621 CA LYS A 41 6.826 -7.575 -10.086 1.00 0.00 C ATOM 622 C LYS A 41 8.162 -6.889 -9.842 1.00 0.00 C ATOM 623 O LYS A 41 9.048 -7.449 -9.198 1.00 0.00 O ATOM 624 CB LYS A 41 6.795 -8.172 -11.487 1.00 0.00 C ATOM 625 CG LYS A 41 7.703 -9.376 -11.650 1.00 0.00 C ATOM 626 CD LYS A 41 7.556 -9.994 -13.028 1.00 0.00 C ATOM 627 CE LYS A 41 8.453 -11.212 -13.192 1.00 0.00 C ATOM 628 NZ LYS A 41 8.211 -11.918 -14.477 1.00 0.00 N ATOM 0 H LYS A 41 5.152 -6.511 -10.753 1.00 0.00 H new ATOM 0 HA LYS A 41 6.711 -8.374 -9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.772 -8.463 -11.727 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.086 -7.407 -12.206 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.739 -9.077 -11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.466 -10.119 -10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.517 -10.282 -13.190 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.804 -9.253 -13.788 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.497 -10.902 -13.141 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.284 -11.900 -12.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.844 -12.741 -14.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.222 -12.238 -14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.398 -11.271 -15.269 1.00 0.00 H new ATOM 642 N ASN A 42 8.290 -5.674 -10.357 1.00 0.00 N ATOM 643 CA ASN A 42 9.502 -4.869 -10.166 1.00 0.00 C ATOM 644 C ASN A 42 9.843 -4.712 -8.688 1.00 0.00 C ATOM 645 O ASN A 42 11.016 -4.697 -8.312 1.00 0.00 O ATOM 646 CB ASN A 42 9.342 -3.483 -10.801 1.00 0.00 C ATOM 647 CG ASN A 42 9.854 -3.423 -12.229 1.00 0.00 C ATOM 648 OD1 ASN A 42 11.021 -3.116 -12.468 1.00 0.00 O ATOM 649 ND2 ASN A 42 8.990 -3.711 -13.188 1.00 0.00 N ATOM 0 H ASN A 42 7.568 -5.217 -10.914 1.00 0.00 H new ATOM 0 HA ASN A 42 10.318 -5.399 -10.657 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.289 -3.202 -10.786 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.876 -2.749 -10.198 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.284 -3.683 -14.164 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.030 -3.961 -12.951 1.00 0.00 H new ATOM 656 N TRP A 43 8.823 -4.589 -7.853 1.00 0.00 N ATOM 657 CA TRP A 43 9.036 -4.465 -6.418 1.00 0.00 C ATOM 658 C TRP A 43 9.393 -5.820 -5.821 1.00 0.00 C ATOM 659 O TRP A 43 10.311 -5.928 -5.009 1.00 0.00 O ATOM 660 CB TRP A 43 7.794 -3.902 -5.726 1.00 0.00 C ATOM 661 CG TRP A 43 7.413 -2.528 -6.188 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.176 -1.661 -6.913 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.175 -1.859 -5.940 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.481 -0.497 -7.141 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.249 -0.596 -6.551 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.006 -2.214 -5.263 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.200 0.317 -6.501 1.00 0.00 C ATOM 668 CZ3 TRP A 43 3.967 -1.309 -5.213 1.00 0.00 C ATOM 669 CH2 TRP A 43 4.069 -0.057 -5.831 1.00 0.00 C ATOM 0 H TRP A 43 7.845 -4.572 -8.141 1.00 0.00 H new ATOM 0 HA TRP A 43 9.862 -3.773 -6.257 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.956 -4.578 -5.898 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.969 -3.878 -4.650 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.180 -1.860 -7.258 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.826 0.308 -7.664 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.918 -3.180 -4.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.277 1.285 -6.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.060 -1.570 -4.689 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.236 0.628 -5.777 1.00 0.00 H new ATOM 680 N ILE A 44 8.666 -6.850 -6.238 1.00 0.00 N ATOM 681 CA ILE A 44 8.903 -8.202 -5.751 1.00 0.00 C ATOM 682 C ILE A 44 10.331 -8.656 -6.065 1.00 0.00 C ATOM 683 O ILE A 44 11.005 -9.235 -5.217 1.00 0.00 O ATOM 684 CB ILE A 44 7.898 -9.205 -6.362 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.462 -8.795 -6.008 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.187 -10.623 -5.880 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.403 -9.685 -6.620 1.00 0.00 C ATOM 0 H ILE A 44 7.906 -6.773 -6.914 1.00 0.00 H new ATOM 0 HA ILE A 44 8.764 -8.182 -4.670 1.00 0.00 H new ATOM 0 HB ILE A 44 8.009 -9.189 -7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.349 -8.804 -4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.296 -7.769 -6.337 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.467 -11.312 -6.323 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.195 -10.910 -6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.105 -10.662 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.415 -9.332 -6.324 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.488 -9.657 -7.706 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.542 -10.708 -6.271 1.00 0.00 H new ATOM 699 N ILE A 45 10.784 -8.372 -7.282 1.00 0.00 N ATOM 700 CA ILE A 45 12.135 -8.719 -7.703 1.00 0.00 C ATOM 701 C ILE A 45 13.176 -8.017 -6.831 1.00 0.00 C ATOM 702 O ILE A 45 14.064 -8.665 -6.275 1.00 0.00 O ATOM 703 CB ILE A 45 12.376 -8.361 -9.190 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.444 -9.179 -10.088 1.00 0.00 C ATOM 705 CG2 ILE A 45 13.831 -8.601 -9.569 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.538 -8.818 -11.558 1.00 0.00 C ATOM 0 H ILE A 45 10.231 -7.900 -7.997 1.00 0.00 H new ATOM 0 HA ILE A 45 12.240 -9.798 -7.586 1.00 0.00 H new ATOM 0 HB ILE A 45 12.157 -7.303 -9.333 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.676 -10.237 -9.968 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.416 -9.038 -9.754 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.981 -8.344 -10.618 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.476 -7.980 -8.947 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.079 -9.651 -9.414 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.849 -9.439 -12.130 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.277 -7.768 -11.692 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.556 -8.987 -11.910 1.00 0.00 H new ATOM 718 N LYS A 46 13.048 -6.703 -6.692 1.00 0.00 N ATOM 719 CA LYS A 46 14.034 -5.919 -5.956 1.00 0.00 C ATOM 720 C LYS A 46 14.020 -6.248 -4.465 1.00 0.00 C ATOM 721 O LYS A 46 15.048 -6.590 -3.895 1.00 0.00 O ATOM 722 CB LYS A 46 13.801 -4.417 -6.135 1.00 0.00 C ATOM 723 CG LYS A 46 14.843 -3.577 -5.406 1.00 0.00 C ATOM 724 CD LYS A 46 14.506 -2.096 -5.412 1.00 0.00 C ATOM 725 CE LYS A 46 15.566 -1.292 -4.665 1.00 0.00 C ATOM 726 NZ LYS A 46 15.246 0.159 -4.623 1.00 0.00 N ATOM 0 H LYS A 46 12.275 -6.159 -7.077 1.00 0.00 H new ATOM 0 HA LYS A 46 15.007 -6.185 -6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.820 -4.173 -7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.808 -4.160 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.927 -3.923 -4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.817 -3.726 -5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.432 -1.740 -6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.532 -1.939 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.657 -1.672 -3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.534 -1.435 -5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.993 0.665 -4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.185 0.529 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.335 0.300 -4.141 1.00 0.00 H new ATOM 740 N TYR A 47 12.854 -6.158 -3.840 1.00 0.00 N ATOM 741 CA TYR A 47 12.761 -6.289 -2.391 1.00 0.00 C ATOM 742 C TYR A 47 12.843 -7.747 -1.953 1.00 0.00 C ATOM 743 O TYR A 47 13.313 -8.042 -0.855 1.00 0.00 O ATOM 744 CB TYR A 47 11.477 -5.634 -1.881 1.00 0.00 C ATOM 745 CG TYR A 47 11.489 -4.126 -2.031 1.00 0.00 C ATOM 746 CD1 TYR A 47 11.209 -3.525 -3.253 1.00 0.00 C ATOM 747 CD2 TYR A 47 11.803 -3.306 -0.958 1.00 0.00 C ATOM 748 CE1 TYR A 47 11.242 -2.154 -3.399 1.00 0.00 C ATOM 749 CE2 TYR A 47 11.841 -1.930 -1.094 1.00 0.00 C ATOM 750 CZ TYR A 47 11.557 -1.360 -2.317 1.00 0.00 C ATOM 751 OH TYR A 47 11.589 0.013 -2.465 1.00 0.00 O ATOM 0 H TYR A 47 11.963 -5.996 -4.310 1.00 0.00 H new ATOM 0 HA TYR A 47 13.613 -5.772 -1.951 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.625 -6.042 -2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.336 -5.889 -0.831 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.961 -4.143 -4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.022 -3.750 0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.022 -1.705 -4.356 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.091 -1.307 -0.248 1.00 0.00 H new ATOM 0 HH TYR A 47 11.826 0.429 -1.610 1.00 0.00 H new ATOM 761 N GLY A 48 12.399 -8.656 -2.809 1.00 0.00 N ATOM 762 CA GLY A 48 12.525 -10.072 -2.511 1.00 0.00 C ATOM 763 C GLY A 48 13.966 -10.551 -2.577 1.00 0.00 C ATOM 764 O GLY A 48 14.408 -11.339 -1.743 1.00 0.00 O ATOM 0 H GLY A 48 11.955 -8.442 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.125 -10.268 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.922 -10.644 -3.216 1.00 0.00 H new ATOM 928 N ALA A 61 31.294 -23.843 -2.547 1.00 0.00 N ATOM 929 CA ALA A 61 32.076 -24.757 -3.375 1.00 0.00 C ATOM 930 C ALA A 61 33.084 -25.552 -2.550 1.00 0.00 C ATOM 931 O ALA A 61 33.851 -26.344 -3.096 1.00 0.00 O ATOM 932 CB ALA A 61 32.791 -23.994 -4.482 1.00 0.00 C ATOM 0 HA ALA A 61 31.379 -25.467 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 61 33.369 -24.691 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 61 32.056 -23.489 -5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 61 33.460 -23.255 -4.041 1.00 0.00 H new ATOM 938 N VAL A 62 33.071 -25.348 -1.239 1.00 0.00 N ATOM 939 CA VAL A 62 33.972 -26.071 -0.345 1.00 0.00 C ATOM 940 C VAL A 62 33.635 -27.558 -0.340 1.00 0.00 C ATOM 941 O VAL A 62 34.519 -28.416 -0.351 1.00 0.00 O ATOM 942 CB VAL A 62 33.917 -25.513 1.098 1.00 0.00 C ATOM 943 CG1 VAL A 62 34.833 -26.304 2.022 1.00 0.00 C ATOM 944 CG2 VAL A 62 34.302 -24.041 1.111 1.00 0.00 C ATOM 0 H VAL A 62 32.449 -24.690 -0.770 1.00 0.00 H new ATOM 0 HA VAL A 62 34.986 -25.932 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 62 32.894 -25.614 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 62 34.777 -25.893 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.520 -27.348 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.859 -26.239 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.259 -23.663 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.315 -23.926 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.609 -23.478 0.486 1.00 0.00 H new ATOM 954 N SER A 63 32.343 -27.849 -0.358 1.00 0.00 N ATOM 955 CA SER A 63 31.864 -29.221 -0.421 1.00 0.00 C ATOM 956 C SER A 63 32.175 -29.827 -1.786 1.00 0.00 C ATOM 957 O SER A 63 32.378 -31.038 -1.918 1.00 0.00 O ATOM 958 CB SER A 63 30.358 -29.243 -0.158 1.00 0.00 C ATOM 959 OG SER A 63 30.050 -28.570 1.053 1.00 0.00 O ATOM 0 H SER A 63 31.603 -27.148 -0.330 1.00 0.00 H new ATOM 0 HA SER A 63 32.370 -29.816 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 63 29.832 -28.769 -0.987 1.00 0.00 H new ATOM 0 HB3 SER A 63 30.008 -30.274 -0.106 1.00 0.00 H new ATOM 0 HG SER A 63 29.082 -28.593 1.203 1.00 0.00 H new ATOM 965 N GLU A 64 32.227 -28.969 -2.796 1.00 0.00 N ATOM 966 CA GLU A 64 32.533 -29.394 -4.147 1.00 0.00 C ATOM 967 C GLU A 64 34.007 -29.757 -4.265 1.00 0.00 C ATOM 968 O GLU A 64 34.376 -30.704 -4.955 1.00 0.00 O ATOM 969 CB GLU A 64 32.196 -28.269 -5.124 1.00 0.00 C ATOM 970 CG GLU A 64 31.256 -28.678 -6.249 1.00 0.00 C ATOM 971 CD GLU A 64 29.828 -28.839 -5.775 1.00 0.00 C ATOM 972 OE1 GLU A 64 29.125 -27.814 -5.646 1.00 0.00 O ATOM 973 OE2 GLU A 64 29.400 -29.988 -5.526 1.00 0.00 O ATOM 0 H GLU A 64 32.059 -27.968 -2.699 1.00 0.00 H new ATOM 0 HA GLU A 64 31.936 -30.274 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 64 31.745 -27.446 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 64 33.122 -27.891 -5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 64 31.292 -27.928 -7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 64 31.600 -29.616 -6.684 1.00 0.00 H new ATOM 980 N ALA A 65 34.837 -29.013 -3.554 1.00 0.00 N ATOM 981 CA ALA A 65 36.281 -29.198 -3.600 1.00 0.00 C ATOM 982 C ALA A 65 36.679 -30.599 -3.158 1.00 0.00 C ATOM 983 O ALA A 65 37.602 -31.192 -3.714 1.00 0.00 O ATOM 984 CB ALA A 65 36.977 -28.155 -2.739 1.00 0.00 C ATOM 0 H ALA A 65 34.532 -28.266 -2.930 1.00 0.00 H new ATOM 0 HA ALA A 65 36.598 -29.072 -4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 65 38.055 -28.307 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 65 36.735 -27.158 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 65 36.640 -28.251 -1.707 1.00 0.00 H new ATOM 990 N GLU A 66 35.962 -31.130 -2.171 1.00 0.00 N ATOM 991 CA GLU A 66 36.246 -32.460 -1.637 1.00 0.00 C ATOM 992 C GLU A 66 36.150 -33.524 -2.730 1.00 0.00 C ATOM 993 O GLU A 66 37.045 -34.356 -2.886 1.00 0.00 O ATOM 994 CB GLU A 66 35.267 -32.786 -0.504 1.00 0.00 C ATOM 995 CG GLU A 66 35.562 -34.100 0.208 1.00 0.00 C ATOM 996 CD GLU A 66 34.623 -34.356 1.367 1.00 0.00 C ATOM 997 OE1 GLU A 66 33.477 -34.788 1.127 1.00 0.00 O ATOM 998 OE2 GLU A 66 35.024 -34.115 2.527 1.00 0.00 O ATOM 0 H GLU A 66 35.177 -30.658 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 66 37.265 -32.462 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 66 35.288 -31.976 0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 66 34.256 -32.823 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 66 35.486 -34.921 -0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 66 36.589 -34.089 0.573 1.00 0.00 H new ATOM 1005 N GLN A 67 35.066 -33.483 -3.491 1.00 0.00 N ATOM 1006 CA GLN A 67 34.833 -34.472 -4.531 1.00 0.00 C ATOM 1007 C GLN A 67 35.651 -34.158 -5.784 1.00 0.00 C ATOM 1008 O GLN A 67 36.126 -35.067 -6.463 1.00 0.00 O ATOM 1009 CB GLN A 67 33.337 -34.543 -4.854 1.00 0.00 C ATOM 1010 CG GLN A 67 32.741 -33.216 -5.287 1.00 0.00 C ATOM 1011 CD GLN A 67 31.230 -33.218 -5.292 1.00 0.00 C ATOM 1012 OE1 GLN A 67 30.594 -33.550 -6.293 1.00 0.00 O ATOM 1013 NE2 GLN A 67 30.646 -32.844 -4.165 1.00 0.00 N ATOM 0 H GLN A 67 34.335 -32.776 -3.407 1.00 0.00 H new ATOM 0 HA GLN A 67 35.159 -35.446 -4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 67 33.180 -35.277 -5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 67 32.801 -34.902 -3.975 1.00 0.00 H new ATOM 0 HG2 GLN A 67 33.095 -32.430 -4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 67 33.101 -32.972 -6.286 1.00 0.00 H new ATOM 0 HE21 GLN A 67 31.214 -32.577 -3.361 1.00 0.00 H new ATOM 0 HE22 GLN A 67 29.628 -32.823 -4.101 1.00 0.00 H new ATOM 1022 N ILE A 68 35.831 -32.875 -6.077 1.00 0.00 N ATOM 1023 CA ILE A 68 36.599 -32.464 -7.247 1.00 0.00 C ATOM 1024 C ILE A 68 38.067 -32.864 -7.101 1.00 0.00 C ATOM 1025 O ILE A 68 38.691 -33.321 -8.060 1.00 0.00 O ATOM 1026 CB ILE A 68 36.480 -30.939 -7.488 1.00 0.00 C ATOM 1027 CG1 ILE A 68 35.050 -30.579 -7.915 1.00 0.00 C ATOM 1028 CG2 ILE A 68 37.487 -30.466 -8.529 1.00 0.00 C ATOM 1029 CD1 ILE A 68 34.821 -29.094 -8.105 1.00 0.00 C ATOM 0 H ILE A 68 35.457 -32.104 -5.523 1.00 0.00 H new ATOM 0 HA ILE A 68 36.182 -32.979 -8.113 1.00 0.00 H new ATOM 0 HB ILE A 68 36.705 -30.428 -6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 68 34.819 -31.094 -8.847 1.00 0.00 H new ATOM 0 HG13 ILE A 68 34.353 -30.951 -7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 68 37.380 -29.391 -8.677 1.00 0.00 H new ATOM 0 HG22 ILE A 68 38.497 -30.686 -8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 68 37.305 -30.982 -9.472 1.00 0.00 H new ATOM 0 HD11 ILE A 68 33.788 -28.921 -8.406 1.00 0.00 H new ATOM 0 HD12 ILE A 68 35.018 -28.573 -7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 68 35.492 -28.718 -8.878 1.00 0.00 H new ATOM 1041 N ARG A 69 38.597 -32.710 -5.891 1.00 0.00 N ATOM 1042 CA ARG A 69 39.983 -33.073 -5.596 1.00 0.00 C ATOM 1043 C ARG A 69 40.271 -34.520 -5.995 1.00 0.00 C ATOM 1044 O ARG A 69 41.335 -34.833 -6.524 1.00 0.00 O ATOM 1045 CB ARG A 69 40.260 -32.865 -4.105 1.00 0.00 C ATOM 1046 CG ARG A 69 41.635 -33.332 -3.644 1.00 0.00 C ATOM 1047 CD ARG A 69 41.824 -33.075 -2.160 1.00 0.00 C ATOM 1048 NE ARG A 69 43.034 -33.701 -1.629 1.00 0.00 N ATOM 1049 CZ ARG A 69 43.318 -33.782 -0.332 1.00 0.00 C ATOM 1050 NH1 ARG A 69 42.507 -33.228 0.565 1.00 0.00 N ATOM 1051 NH2 ARG A 69 44.413 -34.420 0.061 1.00 0.00 N ATOM 0 H ARG A 69 38.085 -32.334 -5.093 1.00 0.00 H new ATOM 0 HA ARG A 69 40.643 -32.431 -6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 69 40.154 -31.805 -3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 69 39.500 -33.394 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 69 41.750 -34.396 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 69 42.409 -32.812 -4.209 1.00 0.00 H new ATOM 0 HD2 ARG A 69 41.869 -32.000 -1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 69 40.957 -33.451 -1.617 1.00 0.00 H new ATOM 0 HE ARG A 69 43.699 -34.099 -2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 69 41.665 -32.740 0.259 1.00 0.00 H new ATOM 0 HH12 ARG A 69 42.727 -33.291 1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 69 45.031 -34.845 -0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 69 44.636 -34.486 1.054 1.00 0.00 H new ATOM 1065 N GLN A 70 39.308 -35.393 -5.743 1.00 0.00 N ATOM 1066 CA GLN A 70 39.421 -36.790 -6.110 1.00 0.00 C ATOM 1067 C GLN A 70 39.176 -36.964 -7.601 1.00 0.00 C ATOM 1068 O GLN A 70 39.950 -37.610 -8.298 1.00 0.00 O ATOM 1069 CB GLN A 70 38.397 -37.601 -5.329 1.00 0.00 C ATOM 1070 CG GLN A 70 38.565 -39.099 -5.480 1.00 0.00 C ATOM 1071 CD GLN A 70 37.600 -39.886 -4.613 1.00 0.00 C ATOM 1072 OE1 GLN A 70 37.195 -39.424 -3.548 1.00 0.00 O ATOM 1073 NE2 GLN A 70 37.225 -41.075 -5.058 1.00 0.00 N ATOM 0 H GLN A 70 38.432 -35.152 -5.281 1.00 0.00 H new ATOM 0 HA GLN A 70 40.426 -37.139 -5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 70 38.469 -37.341 -4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 70 37.397 -37.321 -5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 70 38.416 -39.374 -6.524 1.00 0.00 H new ATOM 0 HG3 GLN A 70 39.587 -39.374 -5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 70 37.584 -41.423 -5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 70 36.577 -41.643 -4.512 1.00 0.00 H new ATOM 1082 N LEU A 71 38.086 -36.368 -8.062 1.00 0.00 N ATOM 1083 CA LEU A 71 37.631 -36.486 -9.450 1.00 0.00 C ATOM 1084 C LEU A 71 38.760 -36.224 -10.458 1.00 0.00 C ATOM 1085 O LEU A 71 38.964 -37.009 -11.381 1.00 0.00 O ATOM 1086 CB LEU A 71 36.461 -35.515 -9.682 1.00 0.00 C ATOM 1087 CG LEU A 71 35.552 -35.816 -10.882 1.00 0.00 C ATOM 1088 CD1 LEU A 71 34.237 -35.067 -10.738 1.00 0.00 C ATOM 1089 CD2 LEU A 71 36.221 -35.436 -12.194 1.00 0.00 C ATOM 0 H LEU A 71 37.484 -35.783 -7.483 1.00 0.00 H new ATOM 0 HA LEU A 71 37.300 -37.512 -9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.846 -35.500 -8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.869 -34.512 -9.806 1.00 0.00 H new ATOM 0 HG LEU A 71 35.361 -36.889 -10.898 1.00 0.00 H new ATOM 0 HD11 LEU A 71 33.598 -35.286 -11.593 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.737 -35.382 -9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.431 -33.995 -10.695 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.551 -35.662 -13.023 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.448 -34.370 -12.191 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.145 -36.003 -12.309 1.00 0.00 H new ATOM 1101 N LYS A 72 39.501 -35.135 -10.275 1.00 0.00 N ATOM 1102 CA LYS A 72 40.539 -34.759 -11.238 1.00 0.00 C ATOM 1103 C LYS A 72 41.839 -35.537 -11.023 1.00 0.00 C ATOM 1104 O LYS A 72 42.839 -35.281 -11.697 1.00 0.00 O ATOM 1105 CB LYS A 72 40.805 -33.241 -11.198 1.00 0.00 C ATOM 1106 CG LYS A 72 41.072 -32.654 -9.810 1.00 0.00 C ATOM 1107 CD LYS A 72 42.416 -33.074 -9.221 1.00 0.00 C ATOM 1108 CE LYS A 72 43.601 -32.350 -9.855 1.00 0.00 C ATOM 1109 NZ LYS A 72 43.833 -32.746 -11.271 1.00 0.00 N ATOM 0 H LYS A 72 39.407 -34.502 -9.480 1.00 0.00 H new ATOM 0 HA LYS A 72 40.163 -35.022 -12.226 1.00 0.00 H new ATOM 0 HB2 LYS A 72 41.661 -33.023 -11.836 1.00 0.00 H new ATOM 0 HB3 LYS A 72 39.946 -32.728 -11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 72 41.035 -31.566 -9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 72 40.275 -32.963 -9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 72 42.412 -32.881 -8.148 1.00 0.00 H new ATOM 0 HD3 LYS A 72 42.543 -34.149 -9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 72 43.431 -31.274 -9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 72 44.500 -32.557 -9.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 44.853 -32.729 -11.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 43.464 -33.706 -11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 43.344 -32.080 -11.902 1.00 0.00 H new