USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 705 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 64 THR OG1 : rot 180:sc= -1.09 USER MOD Set 1.2: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 38 LYS NZ :NH3+ -110:sc= 0.618 (180deg=-0.317) USER MOD Set 2.2: A 42 LYS NZ :NH3+ -161:sc= 0.855 (180deg=0.686) USER MOD Set 3.1: A 16 THR OG1 : rot 124:sc= 1.32 USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 11 GLN : amide:sc= -0.255 K(o=-0.26,f=-4.2!) USER MOD Single : A 15 LYS NZ :NH3+ -152:sc= -0.653 (180deg=-1.86!) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 0.029 (180deg=-0.303) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.047 USER MOD Single : A 34 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.22) USER MOD Single : A 36 LYS NZ :NH3+ -148:sc= -0.801 (180deg=-1.71) USER MOD Single : A 37 SER OG : rot -79:sc= 1.04 USER MOD Single : A 40 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.0071) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -5.76! C(o=-8.8!,f=-5.8!) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0971) USER MOD Single : A 58 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.047) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.405 K(o=-0.41,f=-2.9!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 85:sc= 0.913 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N GLN A 11 104.190 -0.718 -0.377 1.00 0.00 N ATOM 165 CA GLN A 11 103.045 -0.021 -0.954 1.00 0.00 C ATOM 166 C GLN A 11 101.906 -0.997 -1.237 1.00 0.00 C ATOM 167 O GLN A 11 102.058 -2.208 -1.071 1.00 0.00 O ATOM 168 CB GLN A 11 103.456 0.683 -2.251 1.00 0.00 C ATOM 169 CG GLN A 11 104.550 1.713 -1.952 1.00 0.00 C ATOM 170 CD GLN A 11 104.711 2.664 -3.133 1.00 0.00 C ATOM 171 OE1 GLN A 11 104.603 3.880 -2.974 1.00 0.00 O ATOM 172 NE2 GLN A 11 104.967 2.181 -4.318 1.00 0.00 N ATOM 0 HA GLN A 11 102.699 0.721 -0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.818 -0.048 -2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 11 102.593 1.174 -2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.295 2.276 -1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 11 105.494 1.205 -1.753 1.00 0.00 H new ATOM 0 HE21 GLN A 11 105.056 1.173 -4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 11 105.078 2.811 -5.113 1.00 0.00 H new ATOM 181 N ILE A 12 100.772 -0.455 -1.675 1.00 0.00 N ATOM 182 CA ILE A 12 99.607 -1.277 -1.996 1.00 0.00 C ATOM 183 C ILE A 12 98.859 -0.682 -3.183 1.00 0.00 C ATOM 184 O ILE A 12 99.125 0.450 -3.589 1.00 0.00 O ATOM 185 CB ILE A 12 98.662 -1.374 -0.791 1.00 0.00 C ATOM 186 CG1 ILE A 12 98.168 0.027 -0.406 1.00 0.00 C ATOM 187 CG2 ILE A 12 99.396 -2.005 0.395 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.894 -0.086 0.438 1.00 0.00 C ATOM 0 H ILE A 12 100.635 0.546 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 12 99.955 -2.278 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 12 97.808 -1.997 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.941 0.554 0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.970 0.612 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.720 -2.071 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.736 -3.004 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 12 100.255 -1.389 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.547 0.911 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 12 96.121 -0.595 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 12 97.107 -0.654 1.343 1.00 0.00 H new ATOM 200 N PHE A 13 97.919 -1.447 -3.728 1.00 0.00 N ATOM 201 CA PHE A 13 97.133 -0.978 -4.864 1.00 0.00 C ATOM 202 C PHE A 13 95.683 -0.769 -4.450 1.00 0.00 C ATOM 203 O PHE A 13 94.998 -1.713 -4.064 1.00 0.00 O ATOM 204 CB PHE A 13 97.198 -1.988 -6.013 1.00 0.00 C ATOM 205 CG PHE A 13 98.628 -2.135 -6.478 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.126 -1.294 -7.479 1.00 0.00 C ATOM 207 CD2 PHE A 13 99.454 -3.113 -5.908 1.00 0.00 C ATOM 208 CE1 PHE A 13 100.449 -1.430 -7.914 1.00 0.00 C ATOM 209 CE2 PHE A 13 100.778 -3.249 -6.343 1.00 0.00 C ATOM 210 CZ PHE A 13 101.275 -2.407 -7.345 1.00 0.00 C ATOM 0 H PHE A 13 97.684 -2.386 -3.406 1.00 0.00 H new ATOM 0 HA PHE A 13 97.550 -0.029 -5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 13 96.811 -2.953 -5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.569 -1.656 -6.839 1.00 0.00 H new ATOM 0 HD1 PHE A 13 98.489 -0.539 -7.916 1.00 0.00 H new ATOM 0 HD2 PHE A 13 99.070 -3.761 -5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 13 100.833 -0.782 -8.688 1.00 0.00 H new ATOM 0 HE2 PHE A 13 101.416 -4.003 -5.906 1.00 0.00 H new ATOM 0 HZ PHE A 13 102.297 -2.511 -7.679 1.00 0.00 H new ATOM 220 N ALA A 14 95.224 0.473 -4.545 1.00 0.00 N ATOM 221 CA ALA A 14 93.850 0.805 -4.193 1.00 0.00 C ATOM 222 C ALA A 14 93.099 1.226 -5.448 1.00 0.00 C ATOM 223 O ALA A 14 93.589 2.050 -6.220 1.00 0.00 O ATOM 224 CB ALA A 14 93.828 1.941 -3.168 1.00 0.00 C ATOM 0 H ALA A 14 95.782 1.265 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 14 93.369 -0.069 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.796 2.181 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 14 94.362 1.631 -2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 14 94.311 2.822 -3.591 1.00 0.00 H new ATOM 230 N LYS A 15 91.918 0.654 -5.657 1.00 0.00 N ATOM 231 CA LYS A 15 91.133 0.986 -6.838 1.00 0.00 C ATOM 232 C LYS A 15 89.736 1.457 -6.464 1.00 0.00 C ATOM 233 O LYS A 15 88.945 0.709 -5.887 1.00 0.00 O ATOM 234 CB LYS A 15 91.030 -0.219 -7.769 1.00 0.00 C ATOM 235 CG LYS A 15 90.563 0.254 -9.151 1.00 0.00 C ATOM 236 CD LYS A 15 91.574 -0.182 -10.216 1.00 0.00 C ATOM 237 CE LYS A 15 91.391 -1.671 -10.523 1.00 0.00 C ATOM 238 NZ LYS A 15 92.207 -2.478 -9.575 1.00 0.00 N ATOM 0 H LYS A 15 91.489 -0.031 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 15 91.646 1.799 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.997 -0.717 -7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 15 90.328 -0.948 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.581 -0.163 -9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.458 1.339 -9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.437 0.406 -11.124 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.589 0.005 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 15 90.339 -1.944 -10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 15 91.693 -1.881 -11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 92.475 -3.376 -10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 93.065 -1.950 -9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 91.652 -2.673 -8.718 1.00 0.00 H new ATOM 252 N THR A 16 89.447 2.706 -6.805 1.00 0.00 N ATOM 253 CA THR A 16 88.145 3.287 -6.515 1.00 0.00 C ATOM 254 C THR A 16 87.073 2.662 -7.404 1.00 0.00 C ATOM 255 O THR A 16 87.387 1.989 -8.388 1.00 0.00 O ATOM 256 CB THR A 16 88.188 4.798 -6.742 1.00 0.00 C ATOM 257 OG1 THR A 16 88.454 5.062 -8.112 1.00 0.00 O ATOM 258 CG2 THR A 16 89.285 5.422 -5.878 1.00 0.00 C ATOM 0 H THR A 16 90.095 3.334 -7.281 1.00 0.00 H new ATOM 0 HA THR A 16 87.898 3.086 -5.473 1.00 0.00 H new ATOM 0 HB THR A 16 87.226 5.231 -6.466 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.748 5.634 -8.478 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.311 6.499 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.078 5.222 -4.827 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.249 4.990 -6.146 1.00 0.00 H new ATOM 266 N LEU A 17 85.810 2.892 -7.054 1.00 0.00 N ATOM 267 CA LEU A 17 84.697 2.347 -7.831 1.00 0.00 C ATOM 268 C LEU A 17 84.679 2.950 -9.236 1.00 0.00 C ATOM 269 O LEU A 17 84.108 2.373 -10.161 1.00 0.00 O ATOM 270 CB LEU A 17 83.369 2.637 -7.117 1.00 0.00 C ATOM 271 CG LEU A 17 82.197 2.000 -7.885 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.514 0.536 -8.214 1.00 0.00 C ATOM 273 CD2 LEU A 17 80.931 2.061 -7.025 1.00 0.00 C ATOM 0 H LEU A 17 85.532 3.447 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 17 84.828 1.268 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.402 2.245 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.218 3.714 -7.039 1.00 0.00 H new ATOM 0 HG LEU A 17 82.042 2.550 -8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.678 0.096 -8.757 1.00 0.00 H new ATOM 0 HD12 LEU A 17 83.412 0.488 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.678 -0.018 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 17 80.100 1.610 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 17 81.096 1.516 -6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 17 80.695 3.101 -6.799 1.00 0.00 H new ATOM 285 N THR A 18 85.316 4.110 -9.388 1.00 0.00 N ATOM 286 CA THR A 18 85.373 4.776 -10.686 1.00 0.00 C ATOM 287 C THR A 18 86.350 4.055 -11.612 1.00 0.00 C ATOM 288 O THR A 18 86.318 4.243 -12.829 1.00 0.00 O ATOM 289 CB THR A 18 85.811 6.236 -10.512 1.00 0.00 C ATOM 290 OG1 THR A 18 87.148 6.278 -10.030 1.00 0.00 O ATOM 291 CG2 THR A 18 84.884 6.936 -9.516 1.00 0.00 C ATOM 0 H THR A 18 85.796 4.604 -8.635 1.00 0.00 H new ATOM 0 HA THR A 18 84.378 4.750 -11.131 1.00 0.00 H new ATOM 0 HB THR A 18 85.757 6.746 -11.474 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.427 7.211 -9.920 1.00 0.00 H new ATOM 0 HG21 THR A 18 85.197 7.973 -9.394 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.860 6.908 -9.890 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.933 6.427 -8.554 1.00 0.00 H new ATOM 299 N GLY A 19 87.214 3.229 -11.025 1.00 0.00 N ATOM 300 CA GLY A 19 88.199 2.479 -11.800 1.00 0.00 C ATOM 301 C GLY A 19 89.547 3.192 -11.815 1.00 0.00 C ATOM 302 O GLY A 19 90.321 3.054 -12.764 1.00 0.00 O ATOM 0 H GLY A 19 87.252 3.063 -10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.317 1.482 -11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 19 87.841 2.351 -12.821 1.00 0.00 H new ATOM 306 N LYS A 20 89.822 3.951 -10.757 1.00 0.00 N ATOM 307 CA LYS A 20 91.082 4.683 -10.654 1.00 0.00 C ATOM 308 C LYS A 20 92.059 3.934 -9.753 1.00 0.00 C ATOM 309 O LYS A 20 91.700 3.520 -8.653 1.00 0.00 O ATOM 310 CB LYS A 20 90.822 6.081 -10.081 1.00 0.00 C ATOM 311 CG LYS A 20 91.931 7.039 -10.531 1.00 0.00 C ATOM 312 CD LYS A 20 92.974 7.186 -9.419 1.00 0.00 C ATOM 313 CE LYS A 20 92.597 8.358 -8.510 1.00 0.00 C ATOM 314 NZ LYS A 20 92.669 9.630 -9.283 1.00 0.00 N ATOM 0 H LYS A 20 89.194 4.075 -9.963 1.00 0.00 H new ATOM 0 HA LYS A 20 91.518 4.772 -11.649 1.00 0.00 H new ATOM 0 HB2 LYS A 20 89.852 6.448 -10.418 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.786 6.037 -8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 20 92.404 6.662 -11.438 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.506 8.013 -10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 20 93.032 6.266 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.960 7.352 -9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 20 91.591 8.217 -8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 20 93.272 8.401 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 92.683 10.436 -8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 93.535 9.638 -9.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 91.839 9.705 -9.905 1.00 0.00 H new ATOM 328 N THR A 21 93.294 3.767 -10.225 1.00 0.00 N ATOM 329 CA THR A 21 94.316 3.066 -9.448 1.00 0.00 C ATOM 330 C THR A 21 95.121 4.052 -8.604 1.00 0.00 C ATOM 331 O THR A 21 95.561 5.091 -9.098 1.00 0.00 O ATOM 332 CB THR A 21 95.255 2.301 -10.386 1.00 0.00 C ATOM 333 OG1 THR A 21 94.487 1.632 -11.379 1.00 0.00 O ATOM 334 CG2 THR A 21 96.061 1.275 -9.586 1.00 0.00 C ATOM 0 H THR A 21 93.610 4.104 -11.134 1.00 0.00 H new ATOM 0 HA THR A 21 93.819 2.361 -8.782 1.00 0.00 H new ATOM 0 HB THR A 21 95.940 3.002 -10.864 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.086 1.143 -11.981 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.728 0.733 -10.257 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.650 1.788 -8.825 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.380 0.572 -9.105 1.00 0.00 H new ATOM 342 N ILE A 22 95.300 3.717 -7.328 1.00 0.00 N ATOM 343 CA ILE A 22 96.048 4.576 -6.411 1.00 0.00 C ATOM 344 C ILE A 22 97.050 3.762 -5.593 1.00 0.00 C ATOM 345 O ILE A 22 96.693 2.749 -4.989 1.00 0.00 O ATOM 346 CB ILE A 22 95.079 5.301 -5.467 1.00 0.00 C ATOM 347 CG1 ILE A 22 93.903 5.866 -6.278 1.00 0.00 C ATOM 348 CG2 ILE A 22 95.809 6.448 -4.758 1.00 0.00 C ATOM 349 CD1 ILE A 22 92.918 6.570 -5.341 1.00 0.00 C ATOM 0 H ILE A 22 94.939 2.861 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 22 96.599 5.308 -7.002 1.00 0.00 H new ATOM 0 HB ILE A 22 94.705 4.598 -4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.270 6.567 -7.028 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.398 5.062 -6.813 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.118 6.960 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.643 6.047 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.186 7.153 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.086 6.969 -5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.541 5.857 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.425 7.386 -4.826 1.00 0.00 H new ATOM 361 N THR A 23 98.303 4.219 -5.572 1.00 0.00 N ATOM 362 CA THR A 23 99.354 3.536 -4.818 1.00 0.00 C ATOM 363 C THR A 23 99.704 4.333 -3.563 1.00 0.00 C ATOM 364 O THR A 23 99.996 5.527 -3.637 1.00 0.00 O ATOM 365 CB THR A 23 100.600 3.365 -5.692 1.00 0.00 C ATOM 366 OG1 THR A 23 100.246 2.681 -6.886 1.00 0.00 O ATOM 367 CG2 THR A 23 101.658 2.555 -4.936 1.00 0.00 C ATOM 0 H THR A 23 98.613 5.055 -6.066 1.00 0.00 H new ATOM 0 HA THR A 23 98.990 2.552 -4.521 1.00 0.00 H new ATOM 0 HB THR A 23 101.006 4.346 -5.936 1.00 0.00 H new ATOM 0 HG1 THR A 23 101.041 2.572 -7.448 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.542 2.437 -5.563 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.930 3.078 -4.019 1.00 0.00 H new ATOM 0 HG23 THR A 23 101.255 1.573 -4.687 1.00 0.00 H new ATOM 375 N LEU A 24 99.657 3.667 -2.410 1.00 0.00 N ATOM 376 CA LEU A 24 99.960 4.326 -1.142 1.00 0.00 C ATOM 377 C LEU A 24 100.915 3.487 -0.298 1.00 0.00 C ATOM 378 O LEU A 24 100.822 2.259 -0.269 1.00 0.00 O ATOM 379 CB LEU A 24 98.666 4.591 -0.360 1.00 0.00 C ATOM 380 CG LEU A 24 97.651 3.469 -0.613 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.694 3.368 0.577 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.841 3.773 -1.880 1.00 0.00 C ATOM 0 H LEU A 24 99.414 2.680 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 24 100.447 5.275 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.885 4.659 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.241 5.549 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 24 98.187 2.528 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 24 95.973 2.571 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 24 97.260 3.148 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 24 96.166 4.314 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 24 96.122 2.972 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.310 4.716 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.515 3.847 -2.734 1.00 0.00 H new ATOM 394 N GLU A 25 101.836 4.168 0.382 1.00 0.00 N ATOM 395 CA GLU A 25 102.822 3.497 1.228 1.00 0.00 C ATOM 396 C GLU A 25 102.219 3.157 2.591 1.00 0.00 C ATOM 397 O GLU A 25 101.907 4.048 3.383 1.00 0.00 O ATOM 398 CB GLU A 25 104.050 4.396 1.420 1.00 0.00 C ATOM 399 CG GLU A 25 104.354 5.153 0.120 1.00 0.00 C ATOM 400 CD GLU A 25 103.614 6.490 0.103 1.00 0.00 C ATOM 401 OE1 GLU A 25 104.018 7.378 0.834 1.00 0.00 O ATOM 402 OE2 GLU A 25 102.653 6.606 -0.642 1.00 0.00 O ATOM 0 H GLU A 25 101.920 5.184 0.364 1.00 0.00 H new ATOM 0 HA GLU A 25 103.123 2.573 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 25 103.870 5.104 2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.911 3.793 1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 25 105.427 5.322 0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 25 104.054 4.552 -0.738 1.00 0.00 H new ATOM 409 N VAL A 26 102.054 1.862 2.848 1.00 0.00 N ATOM 410 CA VAL A 26 101.480 1.407 4.113 1.00 0.00 C ATOM 411 C VAL A 26 102.218 0.181 4.648 1.00 0.00 C ATOM 412 O VAL A 26 103.235 -0.239 4.101 1.00 0.00 O ATOM 413 CB VAL A 26 99.996 1.069 3.921 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.209 2.348 3.617 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.836 0.088 2.757 1.00 0.00 C ATOM 0 H VAL A 26 102.307 1.113 2.203 1.00 0.00 H new ATOM 0 HA VAL A 26 101.584 2.214 4.839 1.00 0.00 H new ATOM 0 HB VAL A 26 99.613 0.615 4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.156 2.103 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.315 3.047 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.596 2.805 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.781 -0.150 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 26 100.224 0.540 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 26 100.389 -0.826 2.973 1.00 0.00 H new ATOM 425 N GLU A 27 101.682 -0.387 5.720 1.00 0.00 N ATOM 426 CA GLU A 27 102.276 -1.570 6.332 1.00 0.00 C ATOM 427 C GLU A 27 101.415 -2.792 6.038 1.00 0.00 C ATOM 428 O GLU A 27 100.248 -2.661 5.679 1.00 0.00 O ATOM 429 CB GLU A 27 102.409 -1.368 7.843 1.00 0.00 C ATOM 430 CG GLU A 27 103.408 -0.238 8.118 1.00 0.00 C ATOM 431 CD GLU A 27 102.692 1.109 8.128 1.00 0.00 C ATOM 432 OE1 GLU A 27 102.005 1.388 9.098 1.00 0.00 O ATOM 433 OE2 GLU A 27 102.839 1.844 7.165 1.00 0.00 O ATOM 0 H GLU A 27 100.839 -0.049 6.184 1.00 0.00 H new ATOM 0 HA GLU A 27 103.269 -1.728 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.439 -1.124 8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.746 -2.290 8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 27 103.900 -0.403 9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 27 104.187 -0.238 7.356 1.00 0.00 H new ATOM 440 N SER A 28 101.993 -3.981 6.183 1.00 0.00 N ATOM 441 CA SER A 28 101.256 -5.214 5.917 1.00 0.00 C ATOM 442 C SER A 28 100.104 -5.387 6.901 1.00 0.00 C ATOM 443 O SER A 28 99.178 -6.154 6.646 1.00 0.00 O ATOM 444 CB SER A 28 102.197 -6.415 6.011 1.00 0.00 C ATOM 445 OG SER A 28 103.160 -6.338 4.967 1.00 0.00 O ATOM 0 H SER A 28 102.959 -4.118 6.480 1.00 0.00 H new ATOM 0 HA SER A 28 100.843 -5.152 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 28 102.695 -6.427 6.981 1.00 0.00 H new ATOM 0 HB3 SER A 28 101.631 -7.343 5.932 1.00 0.00 H new ATOM 0 HG SER A 28 103.767 -7.105 5.024 1.00 0.00 H new ATOM 451 N SER A 29 100.186 -4.701 8.037 1.00 0.00 N ATOM 452 CA SER A 29 99.165 -4.807 9.073 1.00 0.00 C ATOM 453 C SER A 29 98.476 -3.466 9.319 1.00 0.00 C ATOM 454 O SER A 29 97.644 -3.351 10.219 1.00 0.00 O ATOM 455 CB SER A 29 99.803 -5.299 10.374 1.00 0.00 C ATOM 456 OG SER A 29 100.658 -4.286 10.891 1.00 0.00 O ATOM 0 H SER A 29 100.950 -4.065 8.263 1.00 0.00 H new ATOM 0 HA SER A 29 98.412 -5.518 8.733 1.00 0.00 H new ATOM 0 HB2 SER A 29 99.029 -5.544 11.102 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.370 -6.212 10.192 1.00 0.00 H new ATOM 0 HG SER A 29 101.067 -4.597 11.725 1.00 0.00 H new ATOM 462 N ASP A 30 98.831 -2.456 8.523 1.00 0.00 N ATOM 463 CA ASP A 30 98.239 -1.125 8.672 1.00 0.00 C ATOM 464 C ASP A 30 96.723 -1.225 8.843 1.00 0.00 C ATOM 465 O ASP A 30 96.106 -2.198 8.415 1.00 0.00 O ATOM 466 CB ASP A 30 98.560 -0.265 7.441 1.00 0.00 C ATOM 467 CG ASP A 30 99.209 1.059 7.852 1.00 0.00 C ATOM 468 OD1 ASP A 30 98.974 1.504 8.965 1.00 0.00 O ATOM 469 OD2 ASP A 30 99.930 1.615 7.040 1.00 0.00 O ATOM 0 H ASP A 30 99.520 -2.532 7.774 1.00 0.00 H new ATOM 0 HA ASP A 30 98.664 -0.660 9.561 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.229 -0.811 6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.645 -0.068 6.882 1.00 0.00 H new ATOM 474 N THR A 31 96.130 -0.208 9.462 1.00 0.00 N ATOM 475 CA THR A 31 94.684 -0.197 9.677 1.00 0.00 C ATOM 476 C THR A 31 93.990 0.639 8.606 1.00 0.00 C ATOM 477 O THR A 31 94.622 1.469 7.951 1.00 0.00 O ATOM 478 CB THR A 31 94.355 0.371 11.063 1.00 0.00 C ATOM 479 OG1 THR A 31 94.482 1.785 11.036 1.00 0.00 O ATOM 480 CG2 THR A 31 95.318 -0.206 12.103 1.00 0.00 C ATOM 0 H THR A 31 96.621 0.611 9.820 1.00 0.00 H new ATOM 0 HA THR A 31 94.324 -1.224 9.615 1.00 0.00 H new ATOM 0 HB THR A 31 93.334 0.099 11.329 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.270 2.149 11.921 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.079 0.201 13.085 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.220 -1.291 12.127 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.341 0.061 11.839 1.00 0.00 H new ATOM 488 N ILE A 32 92.688 0.411 8.434 1.00 0.00 N ATOM 489 CA ILE A 32 91.911 1.146 7.437 1.00 0.00 C ATOM 490 C ILE A 32 92.174 2.646 7.543 1.00 0.00 C ATOM 491 O ILE A 32 92.471 3.300 6.543 1.00 0.00 O ATOM 492 CB ILE A 32 90.412 0.874 7.626 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.149 -0.639 7.645 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.621 1.515 6.480 1.00 0.00 C ATOM 495 CD1 ILE A 32 90.846 -1.319 6.461 1.00 0.00 C ATOM 0 H ILE A 32 92.152 -0.273 8.969 1.00 0.00 H new ATOM 0 HA ILE A 32 92.219 0.804 6.449 1.00 0.00 H new ATOM 0 HB ILE A 32 90.092 1.305 8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.510 -1.065 8.581 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.076 -0.828 7.601 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.558 1.320 6.618 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.795 2.591 6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 32 89.948 1.091 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.649 -2.391 6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.465 -0.905 5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 32 91.920 -1.146 6.523 1.00 0.00 H new ATOM 507 N ASP A 33 92.057 3.186 8.755 1.00 0.00 N ATOM 508 CA ASP A 33 92.278 4.615 8.979 1.00 0.00 C ATOM 509 C ASP A 33 93.557 5.082 8.279 1.00 0.00 C ATOM 510 O ASP A 33 93.577 6.140 7.650 1.00 0.00 O ATOM 511 CB ASP A 33 92.355 4.903 10.489 1.00 0.00 C ATOM 512 CG ASP A 33 93.759 5.361 10.891 1.00 0.00 C ATOM 513 OD1 ASP A 33 94.011 6.552 10.836 1.00 0.00 O ATOM 514 OD2 ASP A 33 94.559 4.511 11.248 1.00 0.00 O ATOM 0 H ASP A 33 91.812 2.659 9.593 1.00 0.00 H new ATOM 0 HA ASP A 33 91.440 5.168 8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 33 91.629 5.672 10.753 1.00 0.00 H new ATOM 0 HB3 ASP A 33 92.088 4.006 11.048 1.00 0.00 H new ATOM 519 N ASN A 34 94.614 4.282 8.391 1.00 0.00 N ATOM 520 CA ASN A 34 95.890 4.615 7.764 1.00 0.00 C ATOM 521 C ASN A 34 95.758 4.576 6.243 1.00 0.00 C ATOM 522 O ASN A 34 96.343 5.398 5.540 1.00 0.00 O ATOM 523 CB ASN A 34 96.966 3.623 8.214 1.00 0.00 C ATOM 524 CG ASN A 34 98.332 4.300 8.228 1.00 0.00 C ATOM 525 OD1 ASN A 34 98.949 4.479 7.177 1.00 0.00 O ATOM 526 ND2 ASN A 34 98.845 4.689 9.363 1.00 0.00 N ATOM 0 H ASN A 34 94.613 3.402 8.908 1.00 0.00 H new ATOM 0 HA ASN A 34 96.177 5.621 8.068 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.729 3.244 9.208 1.00 0.00 H new ATOM 0 HB3 ASN A 34 96.984 2.765 7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 34 99.759 5.142 9.381 1.00 0.00 H new ATOM 0 HD22 ASN A 34 98.332 4.540 10.232 1.00 0.00 H new ATOM 533 N VAL A 35 94.978 3.617 5.754 1.00 0.00 N ATOM 534 CA VAL A 35 94.760 3.473 4.316 1.00 0.00 C ATOM 535 C VAL A 35 94.022 4.694 3.773 1.00 0.00 C ATOM 536 O VAL A 35 94.444 5.300 2.783 1.00 0.00 O ATOM 537 CB VAL A 35 93.953 2.202 4.020 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.908 1.964 2.508 1.00 0.00 C ATOM 539 CG2 VAL A 35 94.619 1.001 4.699 1.00 0.00 C ATOM 0 H VAL A 35 94.488 2.931 6.328 1.00 0.00 H new ATOM 0 HA VAL A 35 95.730 3.394 3.825 1.00 0.00 H new ATOM 0 HB VAL A 35 92.939 2.323 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.335 1.061 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.435 2.816 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.923 1.846 2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.045 0.099 4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.633 0.883 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 35 94.654 1.165 5.776 1.00 0.00 H new ATOM 549 N LYS A 36 92.922 5.061 4.432 1.00 0.00 N ATOM 550 CA LYS A 36 92.138 6.216 4.012 1.00 0.00 C ATOM 551 C LYS A 36 93.009 7.469 3.998 1.00 0.00 C ATOM 552 O LYS A 36 93.210 8.077 2.950 1.00 0.00 O ATOM 553 CB LYS A 36 90.951 6.421 4.959 1.00 0.00 C ATOM 554 CG LYS A 36 90.122 5.133 5.036 1.00 0.00 C ATOM 555 CD LYS A 36 88.630 5.479 5.122 1.00 0.00 C ATOM 556 CE LYS A 36 88.351 6.260 6.410 1.00 0.00 C ATOM 557 NZ LYS A 36 88.962 5.552 7.570 1.00 0.00 N ATOM 0 H LYS A 36 92.558 4.577 5.253 1.00 0.00 H new ATOM 0 HA LYS A 36 91.763 6.033 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.309 6.695 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.330 7.244 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 36 90.311 4.515 4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.420 4.549 5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 36 88.334 6.071 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 36 88.034 4.566 5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 36 88.759 7.268 6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 36 87.276 6.362 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 88.382 5.710 8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 89.010 4.533 7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 89.922 5.918 7.734 1.00 0.00 H new ATOM 571 N SER A 37 93.519 7.848 5.168 1.00 0.00 N ATOM 572 CA SER A 37 94.371 9.030 5.277 1.00 0.00 C ATOM 573 C SER A 37 95.408 9.048 4.154 1.00 0.00 C ATOM 574 O SER A 37 95.583 10.059 3.473 1.00 0.00 O ATOM 575 CB SER A 37 95.079 9.042 6.633 1.00 0.00 C ATOM 576 OG SER A 37 95.696 7.781 6.853 1.00 0.00 O ATOM 0 H SER A 37 93.359 7.358 6.048 1.00 0.00 H new ATOM 0 HA SER A 37 93.744 9.917 5.190 1.00 0.00 H new ATOM 0 HB2 SER A 37 95.827 9.835 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.363 9.253 7.428 1.00 0.00 H new ATOM 0 HG SER A 37 95.021 7.132 7.141 1.00 0.00 H new ATOM 582 N LYS A 38 96.088 7.919 3.964 1.00 0.00 N ATOM 583 CA LYS A 38 97.100 7.816 2.916 1.00 0.00 C ATOM 584 C LYS A 38 96.529 8.296 1.583 1.00 0.00 C ATOM 585 O LYS A 38 97.232 8.919 0.787 1.00 0.00 O ATOM 586 CB LYS A 38 97.585 6.368 2.777 1.00 0.00 C ATOM 587 CG LYS A 38 99.091 6.294 3.058 1.00 0.00 C ATOM 588 CD LYS A 38 99.869 6.874 1.868 1.00 0.00 C ATOM 589 CE LYS A 38 100.702 8.074 2.329 1.00 0.00 C ATOM 590 NZ LYS A 38 101.266 8.774 1.139 1.00 0.00 N ATOM 0 H LYS A 38 95.958 7.071 4.516 1.00 0.00 H new ATOM 0 HA LYS A 38 97.945 8.446 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 38 97.044 5.726 3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 38 97.375 5.999 1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 38 99.329 6.849 3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 38 99.388 5.259 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 38 100.519 6.111 1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 38 99.177 7.180 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 38 100.083 8.759 2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 38 101.507 7.741 2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 102.295 8.625 1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 100.831 8.394 0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 101.066 9.792 1.208 1.00 0.00 H new ATOM 604 N ILE A 39 95.250 8.007 1.352 1.00 0.00 N ATOM 605 CA ILE A 39 94.597 8.420 0.114 1.00 0.00 C ATOM 606 C ILE A 39 94.439 9.940 0.072 1.00 0.00 C ATOM 607 O ILE A 39 94.690 10.560 -0.960 1.00 0.00 O ATOM 608 CB ILE A 39 93.230 7.718 -0.023 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.094 7.132 -1.436 1.00 0.00 C ATOM 610 CG2 ILE A 39 92.079 8.701 0.233 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.054 8.258 -2.477 1.00 0.00 C ATOM 0 H ILE A 39 94.651 7.494 1.999 1.00 0.00 H new ATOM 0 HA ILE A 39 95.221 8.125 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 39 93.177 6.921 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 39 93.931 6.466 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.186 6.533 -1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.127 8.181 0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.164 9.106 1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.128 9.515 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 39 92.957 7.828 -3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.202 8.908 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 39 93.974 8.839 -2.420 1.00 0.00 H new ATOM 623 N GLN A 40 94.015 10.543 1.188 1.00 0.00 N ATOM 624 CA GLN A 40 93.834 11.994 1.230 1.00 0.00 C ATOM 625 C GLN A 40 95.121 12.704 0.827 1.00 0.00 C ATOM 626 O GLN A 40 95.087 13.799 0.273 1.00 0.00 O ATOM 627 CB GLN A 40 93.390 12.451 2.629 1.00 0.00 C ATOM 628 CG GLN A 40 94.596 12.919 3.455 1.00 0.00 C ATOM 629 CD GLN A 40 94.228 12.967 4.932 1.00 0.00 C ATOM 630 OE1 GLN A 40 93.357 13.739 5.332 1.00 0.00 O ATOM 631 NE2 GLN A 40 94.843 12.182 5.773 1.00 0.00 N ATOM 0 H GLN A 40 93.795 10.058 2.058 1.00 0.00 H new ATOM 0 HA GLN A 40 93.051 12.258 0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.667 13.262 2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.887 11.631 3.142 1.00 0.00 H new ATOM 0 HG2 GLN A 40 95.436 12.242 3.303 1.00 0.00 H new ATOM 0 HG3 GLN A 40 94.917 13.905 3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 40 95.565 11.543 5.440 1.00 0.00 H new ATOM 0 HE22 GLN A 40 94.602 12.207 6.764 1.00 0.00 H new ATOM 640 N ASP A 41 96.257 12.070 1.091 1.00 0.00 N ATOM 641 CA ASP A 41 97.537 12.658 0.721 1.00 0.00 C ATOM 642 C ASP A 41 97.716 12.559 -0.792 1.00 0.00 C ATOM 643 O ASP A 41 98.475 13.318 -1.395 1.00 0.00 O ATOM 644 CB ASP A 41 98.677 11.924 1.436 1.00 0.00 C ATOM 645 CG ASP A 41 100.018 12.298 0.814 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.462 13.412 1.035 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.579 11.466 0.120 1.00 0.00 O ATOM 0 H ASP A 41 96.318 11.163 1.553 1.00 0.00 H new ATOM 0 HA ASP A 41 97.557 13.706 1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.676 12.180 2.496 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.524 10.847 1.368 1.00 0.00 H new ATOM 652 N LYS A 42 97.011 11.599 -1.387 1.00 0.00 N ATOM 653 CA LYS A 42 97.083 11.366 -2.825 1.00 0.00 C ATOM 654 C LYS A 42 96.005 12.138 -3.592 1.00 0.00 C ATOM 655 O LYS A 42 96.281 12.686 -4.661 1.00 0.00 O ATOM 656 CB LYS A 42 96.934 9.868 -3.112 1.00 0.00 C ATOM 657 CG LYS A 42 98.049 9.090 -2.407 1.00 0.00 C ATOM 658 CD LYS A 42 99.248 8.944 -3.348 1.00 0.00 C ATOM 659 CE LYS A 42 100.487 8.543 -2.546 1.00 0.00 C ATOM 660 NZ LYS A 42 101.170 9.767 -2.041 1.00 0.00 N ATOM 0 H LYS A 42 96.381 10.968 -0.891 1.00 0.00 H new ATOM 0 HA LYS A 42 98.054 11.724 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 42 95.961 9.518 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 42 96.976 9.688 -4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 42 98.349 9.609 -1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 42 97.687 8.106 -2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.036 8.192 -4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 42 99.429 9.883 -3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 42 100.201 7.903 -1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 42 101.168 7.966 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 102.151 9.536 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 101.168 10.497 -2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 100.668 10.124 -1.203 1.00 0.00 H new ATOM 674 N GLU A 43 94.771 12.156 -3.073 1.00 0.00 N ATOM 675 CA GLU A 43 93.670 12.840 -3.763 1.00 0.00 C ATOM 676 C GLU A 43 93.041 13.948 -2.913 1.00 0.00 C ATOM 677 O GLU A 43 92.045 14.550 -3.315 1.00 0.00 O ATOM 678 CB GLU A 43 92.592 11.818 -4.131 1.00 0.00 C ATOM 679 CG GLU A 43 93.091 10.926 -5.271 1.00 0.00 C ATOM 680 CD GLU A 43 91.903 10.347 -6.036 1.00 0.00 C ATOM 681 OE1 GLU A 43 91.397 9.319 -5.615 1.00 0.00 O ATOM 682 OE2 GLU A 43 91.516 10.941 -7.027 1.00 0.00 O ATOM 0 H GLU A 43 94.512 11.712 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 43 94.086 13.307 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.344 11.209 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 43 91.679 12.331 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 43 93.723 11.503 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 43 93.705 10.119 -4.871 1.00 0.00 H new ATOM 689 N GLY A 44 93.626 14.228 -1.754 1.00 0.00 N ATOM 690 CA GLY A 44 93.105 15.283 -0.881 1.00 0.00 C ATOM 691 C GLY A 44 91.870 14.823 -0.105 1.00 0.00 C ATOM 692 O GLY A 44 91.722 15.135 1.077 1.00 0.00 O ATOM 0 H GLY A 44 94.452 13.748 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.881 15.590 -0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.852 16.158 -1.480 1.00 0.00 H new ATOM 696 N ILE A 45 90.985 14.096 -0.788 1.00 0.00 N ATOM 697 CA ILE A 45 89.744 13.601 -0.180 1.00 0.00 C ATOM 698 C ILE A 45 89.949 13.220 1.288 1.00 0.00 C ATOM 699 O ILE A 45 90.807 12.397 1.605 1.00 0.00 O ATOM 700 CB ILE A 45 89.231 12.381 -0.956 1.00 0.00 C ATOM 701 CG1 ILE A 45 89.401 12.613 -2.467 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.750 12.152 -0.630 1.00 0.00 C ATOM 703 CD1 ILE A 45 88.699 13.909 -2.887 1.00 0.00 C ATOM 0 H ILE A 45 91.103 13.835 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 45 89.010 14.406 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 45 89.806 11.502 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 45 90.461 12.668 -2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 45 88.986 11.771 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.386 11.285 -1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 45 87.636 11.976 0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.174 13.032 -0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 45 88.827 14.061 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 45 87.636 13.839 -2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 45 89.134 14.750 -2.347 1.00 0.00 H new ATOM 715 N PRO A 46 89.175 13.796 2.184 1.00 0.00 N ATOM 716 CA PRO A 46 89.281 13.501 3.641 1.00 0.00 C ATOM 717 C PRO A 46 88.773 12.096 3.978 1.00 0.00 C ATOM 718 O PRO A 46 87.725 11.674 3.491 1.00 0.00 O ATOM 719 CB PRO A 46 88.422 14.575 4.327 1.00 0.00 C ATOM 720 CG PRO A 46 87.859 15.451 3.250 1.00 0.00 C ATOM 721 CD PRO A 46 88.123 14.780 1.903 1.00 0.00 C ATOM 0 HA PRO A 46 90.318 13.523 3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.621 14.115 4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 46 89.023 15.160 5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.789 15.597 3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 46 88.322 16.437 3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.224 14.301 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.446 15.504 1.155 1.00 0.00 H new ATOM 729 N PRO A 47 89.504 11.374 4.793 1.00 0.00 N ATOM 730 CA PRO A 47 89.139 9.985 5.199 1.00 0.00 C ATOM 731 C PRO A 47 87.706 9.887 5.730 1.00 0.00 C ATOM 732 O PRO A 47 87.004 8.909 5.468 1.00 0.00 O ATOM 733 CB PRO A 47 90.134 9.620 6.310 1.00 0.00 C ATOM 734 CG PRO A 47 91.024 10.804 6.525 1.00 0.00 C ATOM 735 CD PRO A 47 90.765 11.809 5.405 1.00 0.00 C ATOM 0 HA PRO A 47 89.185 9.311 4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 47 89.606 9.366 7.229 1.00 0.00 H new ATOM 0 HB3 PRO A 47 90.721 8.746 6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.824 11.258 7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.070 10.497 6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.686 12.824 5.795 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.578 11.809 4.678 1.00 0.00 H new ATOM 743 N ASP A 48 87.294 10.894 6.497 1.00 0.00 N ATOM 744 CA ASP A 48 85.955 10.910 7.090 1.00 0.00 C ATOM 745 C ASP A 48 84.854 10.974 6.029 1.00 0.00 C ATOM 746 O ASP A 48 83.670 10.948 6.362 1.00 0.00 O ATOM 747 CB ASP A 48 85.820 12.112 8.029 1.00 0.00 C ATOM 748 CG ASP A 48 86.952 12.102 9.053 1.00 0.00 C ATOM 749 OD1 ASP A 48 86.825 11.398 10.042 1.00 0.00 O ATOM 750 OD2 ASP A 48 87.930 12.797 8.833 1.00 0.00 O ATOM 0 H ASP A 48 87.865 11.708 6.723 1.00 0.00 H new ATOM 0 HA ASP A 48 85.833 9.979 7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 48 85.846 13.038 7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 48 84.857 12.080 8.538 1.00 0.00 H new ATOM 755 N GLN A 49 85.244 11.057 4.760 1.00 0.00 N ATOM 756 CA GLN A 49 84.267 11.122 3.675 1.00 0.00 C ATOM 757 C GLN A 49 84.374 9.895 2.774 1.00 0.00 C ATOM 758 O GLN A 49 83.677 9.792 1.766 1.00 0.00 O ATOM 759 CB GLN A 49 84.492 12.392 2.845 1.00 0.00 C ATOM 760 CG GLN A 49 83.257 12.674 1.981 1.00 0.00 C ATOM 761 CD GLN A 49 82.864 14.144 2.092 1.00 0.00 C ATOM 762 OE1 GLN A 49 82.348 14.573 3.125 1.00 0.00 O ATOM 763 NE2 GLN A 49 83.076 14.945 1.086 1.00 0.00 N ATOM 0 H GLN A 49 86.218 11.081 4.459 1.00 0.00 H new ATOM 0 HA GLN A 49 83.269 11.145 4.114 1.00 0.00 H new ATOM 0 HB2 GLN A 49 84.687 13.238 3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 49 85.371 12.272 2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 49 83.466 12.423 0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 49 82.428 12.043 2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 49 83.503 14.588 0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 49 82.815 15.929 1.153 1.00 0.00 H new ATOM 772 N GLN A 50 85.270 8.977 3.131 1.00 0.00 N ATOM 773 CA GLN A 50 85.479 7.770 2.332 1.00 0.00 C ATOM 774 C GLN A 50 85.384 6.512 3.191 1.00 0.00 C ATOM 775 O GLN A 50 85.326 6.582 4.420 1.00 0.00 O ATOM 776 CB GLN A 50 86.858 7.824 1.661 1.00 0.00 C ATOM 777 CG GLN A 50 87.592 9.096 2.097 1.00 0.00 C ATOM 778 CD GLN A 50 89.068 9.007 1.738 1.00 0.00 C ATOM 779 OE1 GLN A 50 89.651 10.032 1.186 1.00 0.00 O flip ATOM 780 NE2 GLN A 50 89.707 7.981 1.975 1.00 0.00 N flip ATOM 0 H GLN A 50 85.859 9.044 3.961 1.00 0.00 H new ATOM 0 HA GLN A 50 84.697 7.729 1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 50 87.441 6.944 1.933 1.00 0.00 H new ATOM 0 HB3 GLN A 50 86.747 7.810 0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 50 87.145 9.965 1.613 1.00 0.00 H new ATOM 0 HG3 GLN A 50 87.481 9.237 3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 50 89.245 7.181 2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 50 90.698 7.931 1.739 1.00 0.00 H new ATOM 789 N ARG A 51 85.377 5.362 2.522 1.00 0.00 N ATOM 790 CA ARG A 51 85.300 4.071 3.198 1.00 0.00 C ATOM 791 C ARG A 51 86.005 3.009 2.358 1.00 0.00 C ATOM 792 O ARG A 51 86.479 3.300 1.261 1.00 0.00 O ATOM 793 CB ARG A 51 83.835 3.681 3.421 1.00 0.00 C ATOM 794 CG ARG A 51 83.107 3.606 2.073 1.00 0.00 C ATOM 795 CD ARG A 51 81.724 4.248 2.193 1.00 0.00 C ATOM 796 NE ARG A 51 80.868 3.443 3.057 1.00 0.00 N ATOM 797 CZ ARG A 51 80.529 3.859 4.273 1.00 0.00 C ATOM 798 NH1 ARG A 51 79.795 4.929 4.416 1.00 0.00 N ATOM 799 NH2 ARG A 51 80.930 3.198 5.324 1.00 0.00 N ATOM 0 H ARG A 51 85.424 5.299 1.505 1.00 0.00 H new ATOM 0 HA ARG A 51 85.793 4.144 4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.779 2.718 3.929 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.349 4.412 4.067 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.689 4.117 1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 51 83.009 2.567 1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 51 81.817 5.256 2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.272 4.341 1.206 1.00 0.00 H new ATOM 0 HE ARG A 51 80.523 2.544 2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 51 79.482 5.446 3.594 1.00 0.00 H new ATOM 0 HH12 ARG A 51 79.535 5.248 5.349 1.00 0.00 H new ATOM 0 HH21 ARG A 51 81.504 2.362 5.212 1.00 0.00 H new ATOM 0 HH22 ARG A 51 80.670 3.517 6.257 1.00 0.00 H new ATOM 813 N LEU A 52 86.080 1.784 2.874 1.00 0.00 N ATOM 814 CA LEU A 52 86.746 0.705 2.148 1.00 0.00 C ATOM 815 C LEU A 52 85.909 -0.574 2.164 1.00 0.00 C ATOM 816 O LEU A 52 85.486 -1.037 3.223 1.00 0.00 O ATOM 817 CB LEU A 52 88.121 0.435 2.772 1.00 0.00 C ATOM 818 CG LEU A 52 89.226 0.937 1.834 1.00 0.00 C ATOM 819 CD1 LEU A 52 90.411 1.445 2.659 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.693 -0.209 0.928 1.00 0.00 C ATOM 0 H LEU A 52 85.694 1.516 3.779 1.00 0.00 H new ATOM 0 HA LEU A 52 86.867 1.016 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 52 88.197 0.935 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.244 -0.632 2.955 1.00 0.00 H new ATOM 0 HG LEU A 52 88.834 1.749 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 52 91.194 1.801 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 52 90.083 2.262 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 52 90.800 0.634 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 52 90.478 0.150 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 52 90.081 -1.022 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 52 88.852 -0.570 0.336 1.00 0.00 H new ATOM 832 N ILE A 53 85.683 -1.139 0.978 1.00 0.00 N ATOM 833 CA ILE A 53 84.905 -2.371 0.845 1.00 0.00 C ATOM 834 C ILE A 53 85.811 -3.493 0.348 1.00 0.00 C ATOM 835 O ILE A 53 86.516 -3.327 -0.649 1.00 0.00 O ATOM 836 CB ILE A 53 83.747 -2.155 -0.145 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.542 -1.549 0.585 1.00 0.00 C ATOM 838 CG2 ILE A 53 83.332 -3.493 -0.767 1.00 0.00 C ATOM 839 CD1 ILE A 53 82.919 -0.197 1.200 1.00 0.00 C ATOM 0 H ILE A 53 86.028 -0.763 0.095 1.00 0.00 H new ATOM 0 HA ILE A 53 84.492 -2.644 1.816 1.00 0.00 H new ATOM 0 HB ILE A 53 84.081 -1.476 -0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.713 -1.421 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 53 82.201 -2.229 1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 53 82.512 -3.330 -1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 53 84.180 -3.927 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 53 83.008 -4.175 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.055 0.222 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.733 -0.335 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.238 0.485 0.412 1.00 0.00 H new ATOM 851 N TRP A 54 85.804 -4.629 1.046 1.00 0.00 N ATOM 852 CA TRP A 54 86.649 -5.753 0.654 1.00 0.00 C ATOM 853 C TRP A 54 85.889 -7.077 0.760 1.00 0.00 C ATOM 854 O TRP A 54 85.257 -7.369 1.775 1.00 0.00 O ATOM 855 CB TRP A 54 87.897 -5.785 1.550 1.00 0.00 C ATOM 856 CG TRP A 54 88.465 -7.168 1.608 1.00 0.00 C ATOM 857 CD1 TRP A 54 88.351 -8.009 2.661 1.00 0.00 C ATOM 858 CD2 TRP A 54 89.230 -7.882 0.596 1.00 0.00 C ATOM 859 NE1 TRP A 54 88.997 -9.193 2.360 1.00 0.00 N ATOM 860 CE2 TRP A 54 89.554 -9.164 1.098 1.00 0.00 C ATOM 861 CE3 TRP A 54 89.670 -7.545 -0.697 1.00 0.00 C ATOM 862 CZ2 TRP A 54 90.290 -10.079 0.346 1.00 0.00 C ATOM 863 CZ3 TRP A 54 90.410 -8.464 -1.458 1.00 0.00 C ATOM 864 CH2 TRP A 54 90.719 -9.729 -0.937 1.00 0.00 C ATOM 0 H TRP A 54 85.231 -4.793 1.874 1.00 0.00 H new ATOM 0 HA TRP A 54 86.947 -5.622 -0.386 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.646 -5.094 1.165 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.640 -5.449 2.554 1.00 0.00 H new ATOM 0 HD1 TRP A 54 87.839 -7.791 3.586 1.00 0.00 H new ATOM 0 HE1 TRP A 54 89.055 -9.991 2.993 1.00 0.00 H new ATOM 0 HE3 TRP A 54 89.437 -6.573 -1.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 90.527 -11.051 0.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 90.743 -8.195 -2.450 1.00 0.00 H new ATOM 0 HH2 TRP A 54 91.288 -10.432 -1.527 1.00 0.00 H new ATOM 875 N ALA A 55 85.977 -7.872 -0.304 1.00 0.00 N ATOM 876 CA ALA A 55 85.322 -9.181 -0.360 1.00 0.00 C ATOM 877 C ALA A 55 83.807 -9.064 -0.187 1.00 0.00 C ATOM 878 O ALA A 55 83.229 -9.657 0.727 1.00 0.00 O ATOM 879 CB ALA A 55 85.901 -10.103 0.720 1.00 0.00 C ATOM 0 H ALA A 55 86.499 -7.632 -1.146 1.00 0.00 H new ATOM 0 HA ALA A 55 85.513 -9.606 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 55 85.409 -11.074 0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 55 86.971 -10.230 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 55 85.736 -9.661 1.703 1.00 0.00 H new ATOM 885 N GLY A 56 83.166 -8.320 -1.089 1.00 0.00 N ATOM 886 CA GLY A 56 81.714 -8.147 -1.060 1.00 0.00 C ATOM 887 C GLY A 56 81.194 -7.671 0.297 1.00 0.00 C ATOM 888 O GLY A 56 79.983 -7.650 0.521 1.00 0.00 O ATOM 0 H GLY A 56 83.631 -7.826 -1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 56 81.424 -7.428 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 56 81.236 -9.093 -1.314 1.00 0.00 H new ATOM 892 N LYS A 57 82.096 -7.293 1.200 1.00 0.00 N ATOM 893 CA LYS A 57 81.681 -6.829 2.522 1.00 0.00 C ATOM 894 C LYS A 57 82.410 -5.544 2.903 1.00 0.00 C ATOM 895 O LYS A 57 83.596 -5.382 2.618 1.00 0.00 O ATOM 896 CB LYS A 57 81.964 -7.910 3.569 1.00 0.00 C ATOM 897 CG LYS A 57 81.304 -7.525 4.896 1.00 0.00 C ATOM 898 CD LYS A 57 81.402 -8.695 5.881 1.00 0.00 C ATOM 899 CE LYS A 57 82.466 -8.394 6.942 1.00 0.00 C ATOM 900 NZ LYS A 57 83.824 -8.511 6.335 1.00 0.00 N ATOM 0 H LYS A 57 83.104 -7.298 1.045 1.00 0.00 H new ATOM 0 HA LYS A 57 80.611 -6.624 2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.581 -8.871 3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 57 83.039 -8.025 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 57 81.792 -6.644 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 57 80.259 -7.263 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 57 80.436 -8.862 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 57 81.656 -9.611 5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.321 -7.391 7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 57 82.368 -9.088 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 84.545 -8.441 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 83.911 -9.429 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 83.963 -7.745 5.646 1.00 0.00 H new ATOM 914 N GLN A 58 81.686 -4.640 3.559 1.00 0.00 N ATOM 915 CA GLN A 58 82.265 -3.373 3.990 1.00 0.00 C ATOM 916 C GLN A 58 83.256 -3.614 5.122 1.00 0.00 C ATOM 917 O GLN A 58 82.933 -4.286 6.104 1.00 0.00 O ATOM 918 CB GLN A 58 81.161 -2.423 4.467 1.00 0.00 C ATOM 919 CG GLN A 58 80.010 -2.410 3.454 1.00 0.00 C ATOM 920 CD GLN A 58 79.075 -1.240 3.743 1.00 0.00 C ATOM 921 OE1 GLN A 58 79.427 -0.086 3.500 1.00 0.00 O ATOM 922 NE2 GLN A 58 77.894 -1.471 4.250 1.00 0.00 N ATOM 0 H GLN A 58 80.703 -4.761 3.802 1.00 0.00 H new ATOM 0 HA GLN A 58 82.785 -2.920 3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.794 -2.739 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.562 -1.417 4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.406 -2.328 2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 58 79.458 -3.349 3.506 1.00 0.00 H new ATOM 0 HE21 GLN A 58 77.604 -2.428 4.451 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.262 -0.695 4.445 1.00 0.00 H new ATOM 931 N LEU A 59 84.464 -3.077 4.976 1.00 0.00 N ATOM 932 CA LEU A 59 85.498 -3.256 5.995 1.00 0.00 C ATOM 933 C LEU A 59 85.119 -2.532 7.293 1.00 0.00 C ATOM 934 O LEU A 59 83.938 -2.419 7.625 1.00 0.00 O ATOM 935 CB LEU A 59 86.846 -2.742 5.467 1.00 0.00 C ATOM 936 CG LEU A 59 87.394 -3.727 4.427 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.512 -3.059 3.622 1.00 0.00 C ATOM 938 CD2 LEU A 59 87.948 -4.966 5.141 1.00 0.00 C ATOM 0 H LEU A 59 84.751 -2.520 4.171 1.00 0.00 H new ATOM 0 HA LEU A 59 85.586 -4.320 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 59 86.722 -1.756 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.553 -2.633 6.289 1.00 0.00 H new ATOM 0 HG LEU A 59 86.591 -4.023 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.899 -3.762 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.118 -2.179 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.316 -2.760 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 59 88.338 -5.667 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 59 88.749 -4.668 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 59 87.151 -5.444 5.711 1.00 0.00 H new ATOM 950 N GLU A 60 86.125 -2.046 8.022 1.00 0.00 N ATOM 951 CA GLU A 60 85.884 -1.341 9.278 1.00 0.00 C ATOM 952 C GLU A 60 87.188 -0.775 9.831 1.00 0.00 C ATOM 953 O GLU A 60 88.231 -1.419 9.753 1.00 0.00 O ATOM 954 CB GLU A 60 85.268 -2.293 10.308 1.00 0.00 C ATOM 955 CG GLU A 60 84.733 -1.491 11.499 1.00 0.00 C ATOM 956 CD GLU A 60 84.355 -2.436 12.635 1.00 0.00 C ATOM 957 OE1 GLU A 60 83.262 -2.978 12.591 1.00 0.00 O ATOM 958 OE2 GLU A 60 85.162 -2.604 13.534 1.00 0.00 O ATOM 0 H GLU A 60 87.109 -2.128 7.765 1.00 0.00 H new ATOM 0 HA GLU A 60 85.193 -0.521 9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 60 84.461 -2.865 9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.015 -3.010 10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 60 85.488 -0.783 11.840 1.00 0.00 H new ATOM 0 HG3 GLU A 60 83.864 -0.908 11.195 1.00 0.00 H new ATOM 965 N ASP A 61 87.118 0.435 10.379 1.00 0.00 N ATOM 966 CA ASP A 61 88.297 1.093 10.939 1.00 0.00 C ATOM 967 C ASP A 61 89.074 0.156 11.870 1.00 0.00 C ATOM 968 O ASP A 61 90.270 0.347 12.091 1.00 0.00 O ATOM 969 CB ASP A 61 87.873 2.343 11.715 1.00 0.00 C ATOM 970 CG ASP A 61 87.053 3.264 10.814 1.00 0.00 C ATOM 971 OD1 ASP A 61 87.645 3.915 9.968 1.00 0.00 O ATOM 972 OD2 ASP A 61 85.845 3.302 10.981 1.00 0.00 O ATOM 0 H ASP A 61 86.259 0.980 10.448 1.00 0.00 H new ATOM 0 HA ASP A 61 88.950 1.371 10.111 1.00 0.00 H new ATOM 0 HB2 ASP A 61 87.286 2.057 12.588 1.00 0.00 H new ATOM 0 HB3 ASP A 61 88.754 2.870 12.082 1.00 0.00 H new ATOM 977 N GLY A 62 88.387 -0.847 12.413 1.00 0.00 N ATOM 978 CA GLY A 62 89.025 -1.799 13.320 1.00 0.00 C ATOM 979 C GLY A 62 89.729 -2.923 12.558 1.00 0.00 C ATOM 980 O GLY A 62 90.324 -3.814 13.166 1.00 0.00 O ATOM 0 H GLY A 62 87.396 -1.021 12.243 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.748 -1.276 13.947 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.275 -2.225 13.986 1.00 0.00 H new ATOM 984 N ARG A 63 89.657 -2.878 11.230 1.00 0.00 N ATOM 985 CA ARG A 63 90.289 -3.901 10.399 1.00 0.00 C ATOM 986 C ARG A 63 91.746 -3.549 10.116 1.00 0.00 C ATOM 987 O ARG A 63 92.097 -2.375 9.972 1.00 0.00 O ATOM 988 CB ARG A 63 89.538 -4.041 9.071 1.00 0.00 C ATOM 989 CG ARG A 63 88.154 -4.651 9.317 1.00 0.00 C ATOM 990 CD ARG A 63 88.259 -6.178 9.358 1.00 0.00 C ATOM 991 NE ARG A 63 88.409 -6.636 10.734 1.00 0.00 N ATOM 992 CZ ARG A 63 87.967 -7.831 11.113 1.00 0.00 C ATOM 993 NH1 ARG A 63 86.704 -8.133 10.981 1.00 0.00 N ATOM 994 NH2 ARG A 63 88.797 -8.701 11.619 1.00 0.00 N ATOM 0 H ARG A 63 89.171 -2.149 10.708 1.00 0.00 H new ATOM 0 HA ARG A 63 90.252 -4.845 10.943 1.00 0.00 H new ATOM 0 HB2 ARG A 63 89.436 -3.065 8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 63 90.106 -4.671 8.386 1.00 0.00 H new ATOM 0 HG2 ARG A 63 87.745 -4.280 10.257 1.00 0.00 H new ATOM 0 HG3 ARG A 63 87.467 -4.346 8.528 1.00 0.00 H new ATOM 0 HD2 ARG A 63 87.369 -6.623 8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 63 89.111 -6.507 8.763 1.00 0.00 H new ATOM 0 HE ARG A 63 88.861 -6.029 11.418 1.00 0.00 H new ATOM 0 HH11 ARG A 63 86.055 -7.452 10.587 1.00 0.00 H new ATOM 0 HH12 ARG A 63 86.366 -9.050 11.272 1.00 0.00 H new ATOM 0 HH21 ARG A 63 89.784 -8.464 11.723 1.00 0.00 H new ATOM 0 HH22 ARG A 63 88.459 -9.618 11.910 1.00 0.00 H new ATOM 1008 N THR A 64 92.583 -4.581 10.023 1.00 0.00 N ATOM 1009 CA THR A 64 94.002 -4.393 9.742 1.00 0.00 C ATOM 1010 C THR A 64 94.354 -5.002 8.389 1.00 0.00 C ATOM 1011 O THR A 64 93.600 -5.812 7.847 1.00 0.00 O ATOM 1012 CB THR A 64 94.855 -5.041 10.839 1.00 0.00 C ATOM 1013 OG1 THR A 64 94.438 -6.385 11.033 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.696 -4.263 12.147 1.00 0.00 C ATOM 0 H THR A 64 92.302 -5.555 10.138 1.00 0.00 H new ATOM 0 HA THR A 64 94.211 -3.323 9.719 1.00 0.00 H new ATOM 0 HB THR A 64 95.902 -5.024 10.536 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.985 -6.799 11.733 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.304 -4.728 12.923 1.00 0.00 H new ATOM 0 HG22 THR A 64 95.021 -3.233 12.000 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.649 -4.273 12.452 1.00 0.00 H new ATOM 1022 N LEU A 65 95.498 -4.604 7.848 1.00 0.00 N ATOM 1023 CA LEU A 65 95.943 -5.110 6.554 1.00 0.00 C ATOM 1024 C LEU A 65 96.342 -6.581 6.664 1.00 0.00 C ATOM 1025 O LEU A 65 96.116 -7.369 5.746 1.00 0.00 O ATOM 1026 CB LEU A 65 97.125 -4.263 6.054 1.00 0.00 C ATOM 1027 CG LEU A 65 96.608 -3.101 5.188 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.779 -2.413 4.482 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.625 -3.621 4.130 1.00 0.00 C ATOM 0 H LEU A 65 96.133 -3.935 8.282 1.00 0.00 H new ATOM 0 HA LEU A 65 95.124 -5.037 5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.689 -3.873 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.809 -4.883 5.475 1.00 0.00 H new ATOM 0 HG LEU A 65 96.099 -2.389 5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.404 -1.592 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.474 -2.024 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 65 98.294 -3.133 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.267 -2.788 3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 65 96.129 -4.345 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.779 -4.100 4.623 1.00 0.00 H new ATOM 1041 N SER A 66 96.933 -6.938 7.798 1.00 0.00 N ATOM 1042 CA SER A 66 97.365 -8.313 8.037 1.00 0.00 C ATOM 1043 C SER A 66 96.179 -9.194 8.428 1.00 0.00 C ATOM 1044 O SER A 66 96.301 -10.418 8.489 1.00 0.00 O ATOM 1045 CB SER A 66 98.417 -8.344 9.148 1.00 0.00 C ATOM 1046 OG SER A 66 97.806 -8.000 10.386 1.00 0.00 O ATOM 0 H SER A 66 97.125 -6.296 8.567 1.00 0.00 H new ATOM 0 HA SER A 66 97.798 -8.701 7.115 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.864 -9.336 9.213 1.00 0.00 H new ATOM 0 HB3 SER A 66 99.223 -7.646 8.921 1.00 0.00 H new ATOM 0 HG SER A 66 98.478 -8.021 11.099 1.00 0.00 H new ATOM 1052 N ASP A 67 95.034 -8.563 8.687 1.00 0.00 N ATOM 1053 CA ASP A 67 93.833 -9.305 9.067 1.00 0.00 C ATOM 1054 C ASP A 67 93.508 -10.352 8.007 1.00 0.00 C ATOM 1055 O ASP A 67 93.512 -11.553 8.282 1.00 0.00 O ATOM 1056 CB ASP A 67 92.648 -8.344 9.221 1.00 0.00 C ATOM 1057 CG ASP A 67 91.442 -9.084 9.793 1.00 0.00 C ATOM 1058 OD1 ASP A 67 91.488 -9.437 10.959 1.00 0.00 O ATOM 1059 OD2 ASP A 67 90.491 -9.286 9.056 1.00 0.00 O ATOM 0 H ASP A 67 94.913 -7.551 8.641 1.00 0.00 H new ATOM 0 HA ASP A 67 94.016 -9.804 10.019 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.923 -7.518 9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 67 92.393 -7.911 8.254 1.00 0.00 H new ATOM 1064 N TYR A 68 93.238 -9.883 6.794 1.00 0.00 N ATOM 1065 CA TYR A 68 92.921 -10.777 5.687 1.00 0.00 C ATOM 1066 C TYR A 68 94.204 -11.273 5.025 1.00 0.00 C ATOM 1067 O TYR A 68 94.158 -11.978 4.016 1.00 0.00 O ATOM 1068 CB TYR A 68 92.053 -10.044 4.656 1.00 0.00 C ATOM 1069 CG TYR A 68 90.678 -10.671 4.609 1.00 0.00 C ATOM 1070 CD1 TYR A 68 89.687 -10.255 5.508 1.00 0.00 C ATOM 1071 CD2 TYR A 68 90.394 -11.667 3.666 1.00 0.00 C ATOM 1072 CE1 TYR A 68 88.414 -10.835 5.463 1.00 0.00 C ATOM 1073 CE2 TYR A 68 89.120 -12.247 3.621 1.00 0.00 C ATOM 1074 CZ TYR A 68 88.130 -11.830 4.519 1.00 0.00 C ATOM 1075 OH TYR A 68 86.874 -12.400 4.475 1.00 0.00 O ATOM 0 H TYR A 68 93.232 -8.892 6.553 1.00 0.00 H new ATOM 0 HA TYR A 68 92.370 -11.634 6.074 1.00 0.00 H new ATOM 0 HB2 TYR A 68 91.973 -8.989 4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 68 92.520 -10.094 3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 68 89.905 -9.487 6.235 1.00 0.00 H new ATOM 0 HD2 TYR A 68 91.158 -11.988 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.650 -10.515 6.156 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.901 -13.015 2.894 1.00 0.00 H new ATOM 0 HH TYR A 68 86.844 -13.072 3.762 1.00 0.00 H new ATOM 1085 N ASN A 69 95.347 -10.884 5.596 1.00 0.00 N ATOM 1086 CA ASN A 69 96.653 -11.272 5.062 1.00 0.00 C ATOM 1087 C ASN A 69 96.909 -10.553 3.741 1.00 0.00 C ATOM 1088 O ASN A 69 97.556 -11.087 2.838 1.00 0.00 O ATOM 1089 CB ASN A 69 96.732 -12.792 4.865 1.00 0.00 C ATOM 1090 CG ASN A 69 96.326 -13.508 6.150 1.00 0.00 C ATOM 1091 OD1 ASN A 69 95.136 -13.644 6.439 1.00 0.00 O ATOM 1092 ND2 ASN A 69 97.249 -13.978 6.943 1.00 0.00 N ATOM 0 H ASN A 69 95.393 -10.299 6.430 1.00 0.00 H new ATOM 0 HA ASN A 69 97.421 -10.982 5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 69 96.077 -13.095 4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 69 97.746 -13.078 4.584 1.00 0.00 H new ATOM 0 HD21 ASN A 69 96.986 -14.459 7.803 1.00 0.00 H new ATOM 0 HD22 ASN A 69 98.234 -13.865 6.703 1.00 0.00 H new ATOM 1099 N ILE A 70 96.393 -9.330 3.649 1.00 0.00 N ATOM 1100 CA ILE A 70 96.555 -8.516 2.449 1.00 0.00 C ATOM 1101 C ILE A 70 98.030 -8.192 2.223 1.00 0.00 C ATOM 1102 O ILE A 70 98.617 -7.384 2.944 1.00 0.00 O ATOM 1103 CB ILE A 70 95.749 -7.219 2.590 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.250 -7.553 2.642 1.00 0.00 C ATOM 1105 CG2 ILE A 70 96.028 -6.302 1.394 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.613 -6.894 3.868 1.00 0.00 C ATOM 0 H ILE A 70 95.858 -8.881 4.393 1.00 0.00 H new ATOM 0 HA ILE A 70 96.186 -9.076 1.590 1.00 0.00 H new ATOM 0 HB ILE A 70 96.042 -6.710 3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 70 93.759 -7.204 1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 70 94.110 -8.633 2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.453 -5.382 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.091 -6.063 1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 70 95.739 -6.808 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.550 -7.134 3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 70 94.096 -7.265 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 70 93.739 -5.813 3.807 1.00 0.00 H new ATOM 1118 N GLN A 71 98.622 -8.832 1.216 1.00 0.00 N ATOM 1119 CA GLN A 71 100.030 -8.613 0.898 1.00 0.00 C ATOM 1120 C GLN A 71 100.227 -7.240 0.260 1.00 0.00 C ATOM 1121 O GLN A 71 99.291 -6.665 -0.298 1.00 0.00 O ATOM 1122 CB GLN A 71 100.523 -9.695 -0.068 1.00 0.00 C ATOM 1123 CG GLN A 71 100.345 -11.078 0.568 1.00 0.00 C ATOM 1124 CD GLN A 71 100.581 -12.166 -0.478 1.00 0.00 C ATOM 1125 OE1 GLN A 71 101.611 -12.169 -1.152 1.00 0.00 O ATOM 1126 NE2 GLN A 71 99.682 -13.096 -0.651 1.00 0.00 N ATOM 0 H GLN A 71 98.150 -9.503 0.610 1.00 0.00 H new ATOM 0 HA GLN A 71 100.603 -8.661 1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 71 99.967 -9.641 -1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 71 101.573 -9.528 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 71 101.044 -11.200 1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 71 99.341 -11.171 0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 71 98.829 -13.091 -0.091 1.00 0.00 H new ATOM 0 HE22 GLN A 71 99.832 -13.827 -1.346 1.00 0.00 H new ATOM 1135 N ARG A 72 101.450 -6.721 0.347 1.00 0.00 N ATOM 1136 CA ARG A 72 101.759 -5.414 -0.231 1.00 0.00 C ATOM 1137 C ARG A 72 101.257 -5.340 -1.671 1.00 0.00 C ATOM 1138 O ARG A 72 100.682 -4.335 -2.085 1.00 0.00 O ATOM 1139 CB ARG A 72 103.271 -5.147 -0.196 1.00 0.00 C ATOM 1140 CG ARG A 72 104.047 -6.467 -0.242 1.00 0.00 C ATOM 1141 CD ARG A 72 105.540 -6.171 -0.422 1.00 0.00 C ATOM 1142 NE ARG A 72 106.341 -7.320 -0.010 1.00 0.00 N ATOM 1143 CZ ARG A 72 106.348 -7.740 1.252 1.00 0.00 C ATOM 1144 NH1 ARG A 72 106.562 -6.893 2.222 1.00 0.00 N ATOM 1145 NH2 ARG A 72 106.139 -9.001 1.521 1.00 0.00 N ATOM 0 H ARG A 72 102.236 -7.180 0.807 1.00 0.00 H new ATOM 0 HA ARG A 72 101.255 -4.653 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.556 -4.521 -1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.529 -4.597 0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 72 103.884 -7.030 0.677 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.686 -7.086 -1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.746 -5.931 -1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.817 -5.297 0.167 1.00 0.00 H new ATOM 0 HE ARG A 72 106.906 -7.810 -0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 72 106.724 -5.908 2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 72 106.567 -7.216 3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 72 105.971 -9.663 0.763 1.00 0.00 H new ATOM 0 HH22 ARG A 72 106.144 -9.324 2.489 1.00 0.00 H new ATOM 1159 N GLU A 73 101.475 -6.413 -2.426 1.00 0.00 N ATOM 1160 CA GLU A 73 101.037 -6.463 -3.817 1.00 0.00 C ATOM 1161 C GLU A 73 99.604 -6.991 -3.913 1.00 0.00 C ATOM 1162 O GLU A 73 99.355 -8.043 -4.506 1.00 0.00 O ATOM 1163 CB GLU A 73 101.981 -7.359 -4.632 1.00 0.00 C ATOM 1164 CG GLU A 73 102.196 -8.693 -3.906 1.00 0.00 C ATOM 1165 CD GLU A 73 102.071 -9.853 -4.890 1.00 0.00 C ATOM 1166 OE1 GLU A 73 103.002 -10.065 -5.650 1.00 0.00 O ATOM 1167 OE2 GLU A 73 101.046 -10.516 -4.868 1.00 0.00 O ATOM 0 H GLU A 73 101.950 -7.255 -2.100 1.00 0.00 H new ATOM 0 HA GLU A 73 101.061 -5.452 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 73 101.561 -7.538 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 73 102.937 -6.856 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 73 103.181 -8.707 -3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 73 101.463 -8.803 -3.107 1.00 0.00 H new ATOM 1174 N SER A 74 98.665 -6.250 -3.326 1.00 0.00 N ATOM 1175 CA SER A 74 97.257 -6.644 -3.348 1.00 0.00 C ATOM 1176 C SER A 74 96.401 -5.547 -3.976 1.00 0.00 C ATOM 1177 O SER A 74 96.743 -4.364 -3.906 1.00 0.00 O ATOM 1178 CB SER A 74 96.769 -6.922 -1.926 1.00 0.00 C ATOM 1179 OG SER A 74 97.347 -8.133 -1.457 1.00 0.00 O ATOM 0 H SER A 74 98.852 -5.378 -2.832 1.00 0.00 H new ATOM 0 HA SER A 74 97.164 -7.550 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 74 97.042 -6.097 -1.268 1.00 0.00 H new ATOM 0 HB3 SER A 74 95.682 -6.995 -1.911 1.00 0.00 H new ATOM 0 HG SER A 74 98.235 -7.949 -1.085 1.00 0.00 H new ATOM 1185 N THR A 75 95.287 -5.950 -4.587 1.00 0.00 N ATOM 1186 CA THR A 75 94.379 -4.999 -5.227 1.00 0.00 C ATOM 1187 C THR A 75 93.208 -4.669 -4.305 1.00 0.00 C ATOM 1188 O THR A 75 92.232 -5.415 -4.228 1.00 0.00 O ATOM 1189 CB THR A 75 93.854 -5.583 -6.543 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.951 -6.002 -7.343 1.00 0.00 O ATOM 1191 CG2 THR A 75 93.049 -4.520 -7.296 1.00 0.00 C ATOM 0 H THR A 75 94.993 -6.924 -4.652 1.00 0.00 H new ATOM 0 HA THR A 75 94.929 -4.081 -5.433 1.00 0.00 H new ATOM 0 HB THR A 75 93.210 -6.436 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.618 -6.377 -8.185 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.678 -4.939 -8.231 1.00 0.00 H new ATOM 0 HG22 THR A 75 92.207 -4.199 -6.683 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.689 -3.664 -7.511 1.00 0.00 H new ATOM 1199 N LEU A 76 93.323 -3.546 -3.605 1.00 0.00 N ATOM 1200 CA LEU A 76 92.282 -3.108 -2.683 1.00 0.00 C ATOM 1201 C LEU A 76 91.198 -2.326 -3.421 1.00 0.00 C ATOM 1202 O LEU A 76 91.447 -1.747 -4.479 1.00 0.00 O ATOM 1203 CB LEU A 76 92.900 -2.219 -1.593 1.00 0.00 C ATOM 1204 CG LEU A 76 92.939 -2.965 -0.252 1.00 0.00 C ATOM 1205 CD1 LEU A 76 91.523 -3.387 0.156 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.833 -4.208 -0.375 1.00 0.00 C ATOM 0 H LEU A 76 94.128 -2.922 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 76 91.829 -3.990 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.909 -1.926 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.319 -1.302 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 76 93.346 -2.301 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 76 91.561 -3.916 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.894 -2.502 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.105 -4.044 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.858 -4.734 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 76 93.433 -4.869 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 76 94.844 -3.904 -0.648 1.00 0.00 H new ATOM 1218 N HIS A 77 90.000 -2.309 -2.841 1.00 0.00 N ATOM 1219 CA HIS A 77 88.875 -1.588 -3.429 1.00 0.00 C ATOM 1220 C HIS A 77 88.379 -0.530 -2.448 1.00 0.00 C ATOM 1221 O HIS A 77 87.777 -0.854 -1.420 1.00 0.00 O ATOM 1222 CB HIS A 77 87.742 -2.562 -3.768 1.00 0.00 C ATOM 1223 CG HIS A 77 88.254 -3.620 -4.708 1.00 0.00 C ATOM 1224 ND1 HIS A 77 88.010 -3.580 -6.072 1.00 0.00 N ATOM 1225 CD2 HIS A 77 89.001 -4.753 -4.495 1.00 0.00 C ATOM 1226 CE1 HIS A 77 88.603 -4.655 -6.621 1.00 0.00 C ATOM 1227 NE2 HIS A 77 89.220 -5.405 -5.704 1.00 0.00 N ATOM 0 H HIS A 77 89.784 -2.786 -1.966 1.00 0.00 H new ATOM 0 HA HIS A 77 89.203 -1.102 -4.348 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.360 -3.024 -2.857 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.911 -2.025 -4.226 1.00 0.00 H new ATOM 0 HD2 HIS A 77 89.363 -5.087 -3.534 1.00 0.00 H new ATOM 0 HE1 HIS A 77 88.583 -4.884 -7.676 1.00 0.00 H new ATOM 0 HE2 HIS A 77 89.740 -6.269 -5.857 1.00 0.00 H new ATOM 1235 N LEU A 78 88.647 0.735 -2.764 1.00 0.00 N ATOM 1236 CA LEU A 78 88.241 1.840 -1.902 1.00 0.00 C ATOM 1237 C LEU A 78 87.006 2.542 -2.458 1.00 0.00 C ATOM 1238 O LEU A 78 86.884 2.737 -3.665 1.00 0.00 O ATOM 1239 CB LEU A 78 89.393 2.845 -1.788 1.00 0.00 C ATOM 1240 CG LEU A 78 89.027 3.947 -0.786 1.00 0.00 C ATOM 1241 CD1 LEU A 78 90.199 4.186 0.169 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.714 5.241 -1.543 1.00 0.00 C ATOM 0 H LEU A 78 89.143 1.019 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 78 87.995 1.440 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 78 90.301 2.335 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.603 3.283 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 78 88.152 3.638 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.935 4.970 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 78 90.421 3.266 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 78 91.076 4.493 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 78 88.454 6.025 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 78 89.589 5.548 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.877 5.073 -2.220 1.00 0.00 H new ATOM 1254 N VAL A 79 86.095 2.919 -1.568 1.00 0.00 N ATOM 1255 CA VAL A 79 84.871 3.602 -1.975 1.00 0.00 C ATOM 1256 C VAL A 79 84.922 5.073 -1.560 1.00 0.00 C ATOM 1257 O VAL A 79 85.332 5.398 -0.445 1.00 0.00 O ATOM 1258 CB VAL A 79 83.664 2.915 -1.327 1.00 0.00 C ATOM 1259 CG1 VAL A 79 82.385 3.705 -1.618 1.00 0.00 C ATOM 1260 CG2 VAL A 79 83.524 1.498 -1.896 1.00 0.00 C ATOM 0 H VAL A 79 86.179 2.764 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 79 84.777 3.551 -3.060 1.00 0.00 H new ATOM 0 HB VAL A 79 83.816 2.871 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 79 81.535 3.206 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 79 82.480 4.713 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 79 82.228 3.759 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.667 1.005 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 79 83.378 1.552 -2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 79 84.428 0.928 -1.680 1.00 0.00 H new ATOM 1270 N LEU A 80 84.503 5.955 -2.469 1.00 0.00 N ATOM 1271 CA LEU A 80 84.505 7.391 -2.195 1.00 0.00 C ATOM 1272 C LEU A 80 83.091 7.959 -2.281 1.00 0.00 C ATOM 1273 O LEU A 80 82.465 7.931 -3.342 1.00 0.00 O ATOM 1274 CB LEU A 80 85.401 8.118 -3.203 1.00 0.00 C ATOM 1275 CG LEU A 80 86.870 7.787 -2.921 1.00 0.00 C ATOM 1276 CD1 LEU A 80 87.683 7.914 -4.212 1.00 0.00 C ATOM 1277 CD2 LEU A 80 87.424 8.759 -1.874 1.00 0.00 C ATOM 0 H LEU A 80 84.160 5.701 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 80 84.889 7.543 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.139 7.819 -4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 80 85.241 9.194 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 80 86.942 6.767 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.728 7.678 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 80 87.293 7.221 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 80 87.608 8.934 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 80 88.469 8.522 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 80 87.348 9.780 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 80 86.849 8.668 -0.952 1.00 0.00 H new ATOM 1289 N ARG A 81 82.597 8.483 -1.160 1.00 0.00 N ATOM 1290 CA ARG A 81 81.258 9.064 -1.123 1.00 0.00 C ATOM 1291 C ARG A 81 81.242 10.397 -1.869 1.00 0.00 C ATOM 1292 O ARG A 81 82.184 11.183 -1.768 1.00 0.00 O ATOM 1293 CB ARG A 81 80.817 9.280 0.331 1.00 0.00 C ATOM 1294 CG ARG A 81 79.569 10.170 0.371 1.00 0.00 C ATOM 1295 CD ARG A 81 79.033 10.240 1.803 1.00 0.00 C ATOM 1296 NE ARG A 81 78.256 9.043 2.114 1.00 0.00 N ATOM 1297 CZ ARG A 81 77.070 9.124 2.712 1.00 0.00 C ATOM 1298 NH1 ARG A 81 76.902 9.928 3.726 1.00 0.00 N ATOM 1299 NH2 ARG A 81 76.075 8.397 2.284 1.00 0.00 N ATOM 0 H ARG A 81 83.100 8.517 -0.273 1.00 0.00 H new ATOM 0 HA ARG A 81 80.566 8.376 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 81 80.605 8.320 0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 81 81.623 9.743 0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 81 79.812 11.171 0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 81 78.804 9.771 -0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 81 79.862 10.336 2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 81 78.410 11.127 1.922 1.00 0.00 H new ATOM 0 HE ARG A 81 78.630 8.127 1.868 1.00 0.00 H new ATOM 0 HH11 ARG A 81 77.680 10.496 4.061 1.00 0.00 H new ATOM 0 HH12 ARG A 81 75.992 9.989 4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 81 76.207 7.768 1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 81 75.165 8.458 2.741 1.00 0.00 H new ATOM 1422 N ALA A 91 79.066 5.099 -9.209 1.00 0.00 N ATOM 1423 CA ALA A 91 79.036 5.494 -7.805 1.00 0.00 C ATOM 1424 C ALA A 91 78.294 6.816 -7.640 1.00 0.00 C ATOM 1425 O ALA A 91 78.417 7.716 -8.472 1.00 0.00 O ATOM 1426 CB ALA A 91 80.466 5.643 -7.280 1.00 0.00 C ATOM 0 HA ALA A 91 78.515 4.723 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 91 80.440 5.938 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.990 4.692 -7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.988 6.405 -7.858 1.00 0.00 H new ATOM 1432 N ASP A 92 77.525 6.922 -6.559 1.00 0.00 N ATOM 1433 CA ASP A 92 76.764 8.138 -6.284 1.00 0.00 C ATOM 1434 C ASP A 92 77.011 8.600 -4.854 1.00 0.00 C ATOM 1435 O ASP A 92 77.204 9.788 -4.603 1.00 0.00 O ATOM 1436 CB ASP A 92 75.268 7.885 -6.487 1.00 0.00 C ATOM 1437 CG ASP A 92 74.945 7.790 -7.979 1.00 0.00 C ATOM 1438 OD1 ASP A 92 75.567 6.986 -8.652 1.00 0.00 O ATOM 1439 OD2 ASP A 92 74.078 8.522 -8.423 1.00 0.00 O ATOM 0 H ASP A 92 77.413 6.185 -5.863 1.00 0.00 H new ATOM 0 HA ASP A 92 77.093 8.914 -6.975 1.00 0.00 H new ATOM 0 HB2 ASP A 92 74.977 6.962 -5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 92 74.691 8.691 -6.033 1.00 0.00 H new ATOM 1444 N GLU A 93 77.007 7.647 -3.925 1.00 0.00 N ATOM 1445 CA GLU A 93 77.237 7.948 -2.514 1.00 0.00 C ATOM 1446 C GLU A 93 76.910 6.724 -1.666 1.00 0.00 C ATOM 1447 O GLU A 93 77.720 6.295 -0.845 1.00 0.00 O ATOM 1448 CB GLU A 93 76.383 9.149 -2.075 1.00 0.00 C ATOM 1449 CG GLU A 93 76.116 9.086 -0.568 1.00 0.00 C ATOM 1450 CD GLU A 93 75.721 10.468 -0.050 1.00 0.00 C ATOM 1451 OE1 GLU A 93 76.603 11.294 0.111 1.00 0.00 O ATOM 1452 OE2 GLU A 93 74.540 10.678 0.178 1.00 0.00 O ATOM 0 H GLU A 93 76.847 6.659 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 93 78.287 8.206 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 93 76.896 10.079 -2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 93 75.439 9.151 -2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 93 75.321 8.370 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 93 77.006 8.734 -0.047 1.00 0.00 H new ATOM 1459 N GLU A 94 75.720 6.164 -1.869 1.00 0.00 N ATOM 1460 CA GLU A 94 75.303 4.985 -1.119 1.00 0.00 C ATOM 1461 C GLU A 94 75.445 3.730 -1.975 1.00 0.00 C ATOM 1462 O GLU A 94 76.015 2.731 -1.533 1.00 0.00 O ATOM 1463 CB GLU A 94 73.845 5.135 -0.676 1.00 0.00 C ATOM 1464 CG GLU A 94 73.766 6.041 0.558 1.00 0.00 C ATOM 1465 CD GLU A 94 72.476 5.767 1.326 1.00 0.00 C ATOM 1466 OE1 GLU A 94 71.416 5.893 0.735 1.00 0.00 O ATOM 1467 OE2 GLU A 94 72.565 5.435 2.497 1.00 0.00 O ATOM 0 H GLU A 94 75.033 6.505 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 94 75.943 4.891 -0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.251 5.557 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.423 4.157 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 94 74.627 5.866 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 94 73.803 7.087 0.254 1.00 0.00 H new ATOM 1474 N GLU A 95 74.905 3.781 -3.193 1.00 0.00 N ATOM 1475 CA GLU A 95 74.960 2.634 -4.094 1.00 0.00 C ATOM 1476 C GLU A 95 76.397 2.182 -4.323 1.00 0.00 C ATOM 1477 O GLU A 95 76.667 0.986 -4.391 1.00 0.00 O ATOM 1478 CB GLU A 95 74.293 2.974 -5.432 1.00 0.00 C ATOM 1479 CG GLU A 95 75.025 4.135 -6.111 1.00 0.00 C ATOM 1480 CD GLU A 95 74.146 4.725 -7.213 1.00 0.00 C ATOM 1481 OE1 GLU A 95 73.257 5.495 -6.888 1.00 0.00 O ATOM 1482 OE2 GLU A 95 74.373 4.397 -8.366 1.00 0.00 O ATOM 0 H GLU A 95 74.429 4.598 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 95 74.417 1.813 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 95 74.301 2.100 -6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 95 73.249 3.240 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 95 75.269 4.903 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.968 3.786 -6.532 1.00 0.00 H new ATOM 1489 N LEU A 96 77.311 3.143 -4.459 1.00 0.00 N ATOM 1490 CA LEU A 96 78.724 2.841 -4.698 1.00 0.00 C ATOM 1491 C LEU A 96 79.219 1.654 -3.863 1.00 0.00 C ATOM 1492 O LEU A 96 80.179 0.988 -4.243 1.00 0.00 O ATOM 1493 CB LEU A 96 79.586 4.079 -4.402 1.00 0.00 C ATOM 1494 CG LEU A 96 79.031 4.868 -3.210 1.00 0.00 C ATOM 1495 CD1 LEU A 96 79.165 4.046 -1.923 1.00 0.00 C ATOM 1496 CD2 LEU A 96 79.828 6.169 -3.066 1.00 0.00 C ATOM 0 H LEU A 96 77.098 4.139 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 96 78.819 2.564 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.610 3.771 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 96 79.620 4.721 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 96 77.977 5.087 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 96 78.768 4.617 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 96 78.607 3.115 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 96 80.216 3.820 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 96 79.443 6.740 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 96 80.879 5.935 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 96 79.730 6.759 -3.977 1.00 0.00 H new ATOM 1508 N ILE A 97 78.561 1.386 -2.735 1.00 0.00 N ATOM 1509 CA ILE A 97 78.961 0.265 -1.883 1.00 0.00 C ATOM 1510 C ILE A 97 78.469 -1.051 -2.479 1.00 0.00 C ATOM 1511 O ILE A 97 79.272 -1.912 -2.839 1.00 0.00 O ATOM 1512 CB ILE A 97 78.408 0.453 -0.462 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.384 1.320 0.343 1.00 0.00 C ATOM 1514 CG2 ILE A 97 78.253 -0.907 0.231 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.607 2.368 1.146 1.00 0.00 C ATOM 0 H ILE A 97 77.762 1.920 -2.394 1.00 0.00 H new ATOM 0 HA ILE A 97 80.049 0.235 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 97 77.433 0.936 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.970 0.694 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 97 80.087 1.812 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.860 -0.760 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.564 -1.530 -0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 97 79.224 -1.399 0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.305 2.981 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 97 78.040 3.002 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 97 77.922 1.868 1.830 1.00 0.00 H new ATOM 1527 N ARG A 98 77.151 -1.191 -2.602 1.00 0.00 N ATOM 1528 CA ARG A 98 76.573 -2.402 -3.181 1.00 0.00 C ATOM 1529 C ARG A 98 76.943 -2.491 -4.656 1.00 0.00 C ATOM 1530 O ARG A 98 77.002 -3.575 -5.236 1.00 0.00 O ATOM 1531 CB ARG A 98 75.048 -2.389 -3.033 1.00 0.00 C ATOM 1532 CG ARG A 98 74.480 -1.088 -3.606 1.00 0.00 C ATOM 1533 CD ARG A 98 72.980 -1.008 -3.316 1.00 0.00 C ATOM 1534 NE ARG A 98 72.754 -0.572 -1.942 1.00 0.00 N ATOM 1535 CZ ARG A 98 72.042 0.517 -1.673 1.00 0.00 C ATOM 1536 NH1 ARG A 98 72.610 1.691 -1.701 1.00 0.00 N ATOM 1537 NH2 ARG A 98 70.774 0.413 -1.384 1.00 0.00 N ATOM 0 H ARG A 98 76.469 -0.490 -2.312 1.00 0.00 H new ATOM 0 HA ARG A 98 76.970 -3.268 -2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 98 74.616 -3.244 -3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 98 74.775 -2.483 -1.982 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.991 -0.232 -3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.655 -1.046 -4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.505 -0.313 -4.008 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.519 -1.983 -3.476 1.00 0.00 H new ATOM 0 HE ARG A 98 73.150 -1.113 -1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 98 73.601 1.773 -1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 98 72.063 2.527 -1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 98 70.329 -0.505 -1.364 1.00 0.00 H new ATOM 0 HH22 ARG A 98 70.228 1.249 -1.178 1.00 0.00 H new ATOM 1551 N LYS A 99 77.200 -1.329 -5.244 1.00 0.00 N ATOM 1552 CA LYS A 99 77.578 -1.239 -6.640 1.00 0.00 C ATOM 1553 C LYS A 99 79.013 -1.726 -6.815 1.00 0.00 C ATOM 1554 O LYS A 99 79.314 -2.446 -7.762 1.00 0.00 O ATOM 1555 CB LYS A 99 77.450 0.218 -7.103 1.00 0.00 C ATOM 1556 CG LYS A 99 77.916 0.354 -8.552 1.00 0.00 C ATOM 1557 CD LYS A 99 76.770 -0.010 -9.502 1.00 0.00 C ATOM 1558 CE LYS A 99 77.108 0.457 -10.921 1.00 0.00 C ATOM 1559 NZ LYS A 99 76.239 -0.259 -11.899 1.00 0.00 N ATOM 0 H LYS A 99 77.151 -0.430 -4.765 1.00 0.00 H new ATOM 0 HA LYS A 99 76.921 -1.866 -7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 99 76.414 0.546 -7.014 1.00 0.00 H new ATOM 0 HB3 LYS A 99 78.046 0.865 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 99 78.248 1.374 -8.743 1.00 0.00 H new ATOM 0 HG3 LYS A 99 78.771 -0.298 -8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.605 -1.087 -9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 99 75.844 0.457 -9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 99 76.960 1.533 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 99 78.158 0.262 -11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 76.468 0.057 -12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 76.402 -1.283 -11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 75.241 -0.051 -11.694 1.00 0.00 H new ATOM 1573 N ALA A 100 79.883 -1.351 -5.876 1.00 0.00 N ATOM 1574 CA ALA A 100 81.283 -1.770 -5.916 1.00 0.00 C ATOM 1575 C ALA A 100 81.395 -3.244 -5.553 1.00 0.00 C ATOM 1576 O ALA A 100 82.351 -3.919 -5.936 1.00 0.00 O ATOM 1577 CB ALA A 100 82.109 -0.939 -4.929 1.00 0.00 C ATOM 0 H ALA A 100 79.643 -0.759 -5.081 1.00 0.00 H new ATOM 0 HA ALA A 100 81.665 -1.616 -6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 100 83.150 -1.259 -4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 100 82.043 0.115 -5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 100 81.722 -1.082 -3.920 1.00 0.00 H new ATOM 1583 N ILE A 101 80.393 -3.735 -4.829 1.00 0.00 N ATOM 1584 CA ILE A 101 80.362 -5.133 -4.430 1.00 0.00 C ATOM 1585 C ILE A 101 79.971 -5.998 -5.623 1.00 0.00 C ATOM 1586 O ILE A 101 80.454 -7.118 -5.781 1.00 0.00 O ATOM 1587 CB ILE A 101 79.352 -5.335 -3.296 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.933 -4.775 -1.989 1.00 0.00 C ATOM 1589 CG2 ILE A 101 79.059 -6.830 -3.132 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.802 -4.489 -0.998 1.00 0.00 C ATOM 0 H ILE A 101 79.596 -3.185 -4.509 1.00 0.00 H new ATOM 0 HA ILE A 101 81.352 -5.423 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 101 78.426 -4.811 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 101 80.635 -5.489 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.491 -3.861 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 101 78.340 -6.974 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 101 78.646 -7.224 -4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.982 -7.358 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 101 79.220 -4.092 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 101 78.117 -3.759 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 101 78.262 -5.412 -0.785 1.00 0.00 H new ATOM 1602 N GLU A 102 79.075 -5.465 -6.446 1.00 0.00 N ATOM 1603 CA GLU A 102 78.589 -6.176 -7.619 1.00 0.00 C ATOM 1604 C GLU A 102 79.410 -5.837 -8.864 1.00 0.00 C ATOM 1605 O GLU A 102 79.252 -6.476 -9.904 1.00 0.00 O ATOM 1606 CB GLU A 102 77.122 -5.809 -7.858 1.00 0.00 C ATOM 1607 CG GLU A 102 76.332 -7.069 -8.202 1.00 0.00 C ATOM 1608 CD GLU A 102 76.165 -7.942 -6.958 1.00 0.00 C ATOM 1609 OE1 GLU A 102 75.394 -7.564 -6.092 1.00 0.00 O ATOM 1610 OE2 GLU A 102 76.811 -8.975 -6.891 1.00 0.00 O ATOM 0 H GLU A 102 78.670 -4.538 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 102 78.687 -7.246 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.705 -5.337 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 102 77.045 -5.085 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 102 75.354 -6.797 -8.599 1.00 0.00 H new ATOM 0 HG3 GLU A 102 76.848 -7.629 -8.982 1.00 0.00 H new ATOM 1617 N LEU A 103 80.263 -4.818 -8.767 1.00 0.00 N ATOM 1618 CA LEU A 103 81.069 -4.406 -9.916 1.00 0.00 C ATOM 1619 C LEU A 103 82.434 -5.099 -9.936 1.00 0.00 C ATOM 1620 O LEU A 103 82.683 -5.964 -10.776 1.00 0.00 O ATOM 1621 CB LEU A 103 81.274 -2.881 -9.886 1.00 0.00 C ATOM 1622 CG LEU A 103 80.375 -2.197 -10.928 1.00 0.00 C ATOM 1623 CD1 LEU A 103 80.961 -2.402 -12.328 1.00 0.00 C ATOM 1624 CD2 LEU A 103 78.958 -2.788 -10.877 1.00 0.00 C ATOM 0 H LEU A 103 80.413 -4.270 -7.920 1.00 0.00 H new ATOM 0 HA LEU A 103 80.530 -4.698 -10.817 1.00 0.00 H new ATOM 0 HB2 LEU A 103 81.046 -2.497 -8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 103 82.319 -2.644 -10.087 1.00 0.00 H new ATOM 0 HG LEU A 103 80.325 -1.132 -10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 103 80.322 -1.916 -13.065 1.00 0.00 H new ATOM 0 HD12 LEU A 103 81.960 -1.968 -12.372 1.00 0.00 H new ATOM 0 HD13 LEU A 103 81.019 -3.469 -12.545 1.00 0.00 H new ATOM 0 HD21 LEU A 103 78.331 -2.295 -11.620 1.00 0.00 H new ATOM 0 HD22 LEU A 103 79.001 -3.856 -11.090 1.00 0.00 H new ATOM 0 HD23 LEU A 103 78.535 -2.633 -9.885 1.00 0.00 H new ATOM 1636 N SER A 104 83.324 -4.689 -9.034 1.00 0.00 N ATOM 1637 CA SER A 104 84.675 -5.251 -8.989 1.00 0.00 C ATOM 1638 C SER A 104 84.828 -6.335 -7.925 1.00 0.00 C ATOM 1639 O SER A 104 85.816 -7.071 -7.928 1.00 0.00 O ATOM 1640 CB SER A 104 85.683 -4.134 -8.712 1.00 0.00 C ATOM 1641 OG SER A 104 85.382 -3.015 -9.534 1.00 0.00 O ATOM 0 H SER A 104 83.138 -3.976 -8.329 1.00 0.00 H new ATOM 0 HA SER A 104 84.862 -5.713 -9.958 1.00 0.00 H new ATOM 0 HB2 SER A 104 85.646 -3.848 -7.661 1.00 0.00 H new ATOM 0 HB3 SER A 104 86.696 -4.485 -8.912 1.00 0.00 H new ATOM 0 HG SER A 104 86.025 -2.297 -9.357 1.00 0.00 H new ATOM 1647 N LEU A 105 83.873 -6.421 -7.006 1.00 0.00 N ATOM 1648 CA LEU A 105 83.957 -7.412 -5.937 1.00 0.00 C ATOM 1649 C LEU A 105 83.207 -8.696 -6.287 1.00 0.00 C ATOM 1650 O LEU A 105 83.618 -9.783 -5.880 1.00 0.00 O ATOM 1651 CB LEU A 105 83.404 -6.818 -4.639 1.00 0.00 C ATOM 1652 CG LEU A 105 84.537 -6.618 -3.620 1.00 0.00 C ATOM 1653 CD1 LEU A 105 85.394 -7.886 -3.523 1.00 0.00 C ATOM 1654 CD2 LEU A 105 85.414 -5.440 -4.057 1.00 0.00 C ATOM 0 H LEU A 105 83.044 -5.828 -6.977 1.00 0.00 H new ATOM 0 HA LEU A 105 85.007 -7.673 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.918 -5.864 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.644 -7.479 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 105 84.102 -6.410 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 105 86.193 -7.731 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 105 84.772 -8.722 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.827 -8.108 -4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 105 86.218 -5.297 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 105 85.840 -5.648 -5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.808 -4.535 -4.109 1.00 0.00 H new