USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 536 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -3.56 K(o=-3.6,f=-4.3!) USER MOD Single : A 24 SER OG : rot -150:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 170:sc= -2.2! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 100:sc= 1.01 USER MOD Single : A 67 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.86) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 5 11.283 -9.672 -1.611 1.00 0.00 N ATOM 64 CA GLU A 5 11.455 -8.658 -0.584 1.00 0.00 C ATOM 65 C GLU A 5 10.200 -7.788 -0.481 1.00 0.00 C ATOM 66 O GLU A 5 9.599 -7.684 0.587 1.00 0.00 O ATOM 67 CB GLU A 5 12.694 -7.803 -0.860 1.00 0.00 C ATOM 68 CG GLU A 5 13.891 -8.292 -0.043 1.00 0.00 C ATOM 69 CD GLU A 5 14.782 -7.121 0.377 1.00 0.00 C ATOM 70 OE1 GLU A 5 14.240 -6.198 1.022 1.00 0.00 O ATOM 71 OE2 GLU A 5 15.986 -7.177 0.044 1.00 0.00 O ATOM 0 HA GLU A 5 11.605 -9.159 0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.935 -7.839 -1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.483 -6.762 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.540 -8.822 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.471 -9.003 -0.631 1.00 0.00 H new ATOM 78 N LEU A 6 9.842 -7.186 -1.606 1.00 0.00 N ATOM 79 CA LEU A 6 8.670 -6.329 -1.656 1.00 0.00 C ATOM 80 C LEU A 6 7.477 -7.068 -1.045 1.00 0.00 C ATOM 81 O LEU A 6 6.827 -6.558 -0.134 1.00 0.00 O ATOM 82 CB LEU A 6 8.424 -5.840 -3.084 1.00 0.00 C ATOM 83 CG LEU A 6 8.950 -4.442 -3.414 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.775 -4.126 -4.901 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.295 -3.385 -2.523 1.00 0.00 C ATOM 0 H LEU A 6 10.343 -7.275 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 6 8.829 -5.431 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.880 -6.550 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.351 -5.857 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 6 10.020 -4.422 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.157 -3.126 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.326 -4.855 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.717 -4.171 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.687 -2.400 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.216 -3.397 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.515 -3.603 -1.478 1.00 0.00 H new ATOM 97 N LYS A 7 7.226 -8.257 -1.572 1.00 0.00 N ATOM 98 CA LYS A 7 6.123 -9.071 -1.089 1.00 0.00 C ATOM 99 C LYS A 7 6.245 -9.242 0.426 1.00 0.00 C ATOM 100 O LYS A 7 5.373 -8.806 1.176 1.00 0.00 O ATOM 101 CB LYS A 7 6.060 -10.395 -1.854 1.00 0.00 C ATOM 102 CG LYS A 7 4.619 -10.898 -1.961 1.00 0.00 C ATOM 103 CD LYS A 7 4.491 -11.969 -3.046 1.00 0.00 C ATOM 104 CE LYS A 7 4.323 -13.358 -2.429 1.00 0.00 C ATOM 105 NZ LYS A 7 4.325 -14.398 -3.483 1.00 0.00 N ATOM 0 H LYS A 7 7.767 -8.676 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 7 5.172 -8.574 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.478 -10.263 -2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.673 -11.141 -1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.301 -11.307 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.955 -10.064 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.636 -11.745 -3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.376 -11.955 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.130 -13.548 -1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.390 -13.403 -1.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.210 -15.335 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.540 -14.225 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.226 -14.366 -4.001 1.00 0.00 H new ATOM 119 N GLY A 8 7.335 -9.877 0.832 1.00 0.00 N ATOM 120 CA GLY A 8 7.582 -10.111 2.245 1.00 0.00 C ATOM 121 C GLY A 8 7.420 -8.820 3.051 1.00 0.00 C ATOM 122 O GLY A 8 6.721 -8.800 4.063 1.00 0.00 O ATOM 0 H GLY A 8 8.057 -10.237 0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.891 -10.866 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.589 -10.505 2.381 1.00 0.00 H new ATOM 126 N ILE A 9 8.077 -7.775 2.571 1.00 0.00 N ATOM 127 CA ILE A 9 8.015 -6.483 3.234 1.00 0.00 C ATOM 128 C ILE A 9 6.551 -6.068 3.395 1.00 0.00 C ATOM 129 O ILE A 9 6.104 -5.772 4.502 1.00 0.00 O ATOM 130 CB ILE A 9 8.867 -5.456 2.487 1.00 0.00 C ATOM 131 CG1 ILE A 9 10.348 -5.609 2.842 1.00 0.00 C ATOM 132 CG2 ILE A 9 8.361 -4.034 2.742 1.00 0.00 C ATOM 133 CD1 ILE A 9 11.215 -4.684 1.988 1.00 0.00 C ATOM 0 H ILE A 9 8.655 -7.796 1.731 1.00 0.00 H new ATOM 0 HA ILE A 9 8.441 -6.547 4.235 1.00 0.00 H new ATOM 0 HB ILE A 9 8.771 -5.646 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.498 -5.382 3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.657 -6.644 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.984 -3.323 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.330 -3.948 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.408 -3.817 3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 9 12.262 -4.813 2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.081 -4.930 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.920 -3.649 2.159 1.00 0.00 H new ATOM 145 N PHE A 10 5.845 -6.058 2.274 1.00 0.00 N ATOM 146 CA PHE A 10 4.441 -5.683 2.276 1.00 0.00 C ATOM 147 C PHE A 10 3.670 -6.457 3.347 1.00 0.00 C ATOM 148 O PHE A 10 2.954 -5.863 4.152 1.00 0.00 O ATOM 149 CB PHE A 10 3.880 -6.044 0.900 1.00 0.00 C ATOM 150 CG PHE A 10 2.362 -6.239 0.878 1.00 0.00 C ATOM 151 CD1 PHE A 10 1.826 -7.436 1.239 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.550 -5.217 0.498 1.00 0.00 C ATOM 153 CE1 PHE A 10 0.417 -7.617 1.220 1.00 0.00 C ATOM 154 CE2 PHE A 10 0.142 -5.398 0.479 1.00 0.00 C ATOM 155 CZ PHE A 10 -0.395 -6.595 0.840 1.00 0.00 C ATOM 0 H PHE A 10 6.219 -6.304 1.357 1.00 0.00 H new ATOM 0 HA PHE A 10 4.340 -4.619 2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.145 -5.258 0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.359 -6.960 0.553 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.471 -8.248 1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.976 -4.267 0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.009 -8.567 1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.503 -4.586 0.178 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.466 -6.733 0.825 1.00 0.00 H new ATOM 165 N GLU A 11 3.841 -7.770 3.323 1.00 0.00 N ATOM 166 CA GLU A 11 3.170 -8.631 4.282 1.00 0.00 C ATOM 167 C GLU A 11 3.600 -8.275 5.706 1.00 0.00 C ATOM 168 O GLU A 11 2.761 -8.135 6.595 1.00 0.00 O ATOM 169 CB GLU A 11 3.442 -10.106 3.979 1.00 0.00 C ATOM 170 CG GLU A 11 2.147 -10.840 3.625 1.00 0.00 C ATOM 171 CD GLU A 11 2.115 -12.232 4.261 1.00 0.00 C ATOM 172 OE1 GLU A 11 1.985 -12.286 5.503 1.00 0.00 O ATOM 173 OE2 GLU A 11 2.221 -13.210 3.490 1.00 0.00 O ATOM 0 H GLU A 11 4.435 -8.259 2.654 1.00 0.00 H new ATOM 0 HA GLU A 11 2.095 -8.469 4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.148 -10.187 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.908 -10.579 4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.290 -10.260 3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.059 -10.929 2.542 1.00 0.00 H new ATOM 180 N LYS A 12 4.906 -8.139 5.879 1.00 0.00 N ATOM 181 CA LYS A 12 5.458 -7.803 7.181 1.00 0.00 C ATOM 182 C LYS A 12 4.623 -6.685 7.810 1.00 0.00 C ATOM 183 O LYS A 12 4.496 -6.613 9.031 1.00 0.00 O ATOM 184 CB LYS A 12 6.946 -7.467 7.062 1.00 0.00 C ATOM 185 CG LYS A 12 7.627 -7.500 8.431 1.00 0.00 C ATOM 186 CD LYS A 12 9.148 -7.424 8.289 1.00 0.00 C ATOM 187 CE LYS A 12 9.827 -8.576 9.032 1.00 0.00 C ATOM 188 NZ LYS A 12 11.040 -9.017 8.308 1.00 0.00 N ATOM 0 H LYS A 12 5.599 -8.255 5.139 1.00 0.00 H new ATOM 0 HA LYS A 12 5.402 -8.660 7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.431 -8.179 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.065 -6.479 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.273 -6.666 9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.353 -8.415 8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.420 -7.457 7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.506 -6.472 8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.093 -8.259 10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.133 -9.411 9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.488 -9.799 8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.777 -9.339 7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.708 -8.223 8.234 1.00 0.00 H new ATOM 202 N TYR A 13 4.077 -5.841 6.947 1.00 0.00 N ATOM 203 CA TYR A 13 3.258 -4.731 7.403 1.00 0.00 C ATOM 204 C TYR A 13 1.772 -5.093 7.364 1.00 0.00 C ATOM 205 O TYR A 13 1.046 -4.854 8.328 1.00 0.00 O ATOM 206 CB TYR A 13 3.517 -3.585 6.423 1.00 0.00 C ATOM 207 CG TYR A 13 4.639 -2.638 6.854 1.00 0.00 C ATOM 208 CD1 TYR A 13 5.950 -2.933 6.540 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.340 -1.490 7.558 1.00 0.00 C ATOM 210 CE1 TYR A 13 7.006 -2.042 6.946 1.00 0.00 C ATOM 211 CE2 TYR A 13 5.395 -0.598 7.964 1.00 0.00 C ATOM 212 CZ TYR A 13 6.676 -0.918 7.638 1.00 0.00 C ATOM 213 OH TYR A 13 7.673 -0.077 8.022 1.00 0.00 O ATOM 0 H TYR A 13 4.186 -5.904 5.935 1.00 0.00 H new ATOM 0 HA TYR A 13 3.508 -4.467 8.431 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.764 -4.004 5.447 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.598 -3.011 6.300 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.184 -3.832 5.990 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.314 -1.260 7.805 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.036 -2.261 6.707 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.174 0.304 8.515 1.00 0.00 H new ATOM 0 HH TYR A 13 7.290 0.684 8.506 1.00 0.00 H new ATOM 223 N ALA A 14 1.364 -5.663 6.240 1.00 0.00 N ATOM 224 CA ALA A 14 -0.023 -6.060 6.063 1.00 0.00 C ATOM 225 C ALA A 14 -0.427 -7.004 7.198 1.00 0.00 C ATOM 226 O ALA A 14 -1.595 -7.057 7.579 1.00 0.00 O ATOM 227 CB ALA A 14 -0.199 -6.698 4.684 1.00 0.00 C ATOM 0 H ALA A 14 1.969 -5.860 5.443 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.680 -5.191 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.239 -6.996 4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.074 -5.978 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.443 -7.576 4.605 1.00 0.00 H new ATOM 233 N ALA A 15 0.562 -7.725 7.705 1.00 0.00 N ATOM 234 CA ALA A 15 0.324 -8.664 8.789 1.00 0.00 C ATOM 235 C ALA A 15 0.135 -7.891 10.095 1.00 0.00 C ATOM 236 O ALA A 15 -0.613 -8.321 10.972 1.00 0.00 O ATOM 237 CB ALA A 15 1.481 -9.662 8.863 1.00 0.00 C ATOM 0 H ALA A 15 1.530 -7.678 7.386 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.587 -9.235 8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.303 -10.366 9.676 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.553 -10.206 7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.413 -9.126 9.045 1.00 0.00 H new ATOM 243 N LYS A 16 0.827 -6.765 10.184 1.00 0.00 N ATOM 244 CA LYS A 16 0.745 -5.928 11.369 1.00 0.00 C ATOM 245 C LYS A 16 -0.721 -5.587 11.648 1.00 0.00 C ATOM 246 O LYS A 16 -1.265 -5.970 12.682 1.00 0.00 O ATOM 247 CB LYS A 16 1.644 -4.699 11.221 1.00 0.00 C ATOM 248 CG LYS A 16 2.720 -4.673 12.309 1.00 0.00 C ATOM 249 CD LYS A 16 3.451 -3.329 12.325 1.00 0.00 C ATOM 250 CE LYS A 16 3.885 -2.958 13.745 1.00 0.00 C ATOM 251 NZ LYS A 16 4.779 -1.779 13.722 1.00 0.00 N ATOM 0 H LYS A 16 1.447 -6.413 9.455 1.00 0.00 H new ATOM 0 HA LYS A 16 1.119 -6.465 12.240 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.115 -4.705 10.238 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.040 -3.793 11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.263 -4.854 13.282 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.435 -5.478 12.138 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.325 -3.378 11.675 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.800 -2.552 11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.008 -2.745 14.356 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.398 -3.802 14.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.064 -1.541 14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.624 -1.995 13.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.278 -0.971 13.300 1.00 0.00 H new ATOM 265 N GLU A 17 -1.317 -4.871 10.706 1.00 0.00 N ATOM 266 CA GLU A 17 -2.709 -4.475 10.836 1.00 0.00 C ATOM 267 C GLU A 17 -3.589 -5.308 9.903 1.00 0.00 C ATOM 268 O GLU A 17 -3.307 -5.415 8.710 1.00 0.00 O ATOM 269 CB GLU A 17 -2.881 -2.979 10.562 1.00 0.00 C ATOM 270 CG GLU A 17 -2.041 -2.144 11.530 1.00 0.00 C ATOM 271 CD GLU A 17 -2.756 -0.841 11.893 1.00 0.00 C ATOM 272 OE1 GLU A 17 -3.830 -0.940 12.526 1.00 0.00 O ATOM 273 OE2 GLU A 17 -2.214 0.225 11.529 1.00 0.00 O ATOM 0 H GLU A 17 -0.862 -4.555 9.850 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.025 -4.662 11.862 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.587 -2.758 9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.932 -2.706 10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.844 -2.719 12.435 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.075 -1.919 11.078 1.00 0.00 H new ATOM 280 N GLY A 18 -4.636 -5.878 10.480 1.00 0.00 N ATOM 281 CA GLY A 18 -5.559 -6.699 9.714 1.00 0.00 C ATOM 282 C GLY A 18 -4.814 -7.803 8.961 1.00 0.00 C ATOM 283 O GLY A 18 -3.585 -7.851 8.978 1.00 0.00 O ATOM 0 H GLY A 18 -4.866 -5.788 11.470 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.297 -7.143 10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.105 -6.075 9.006 1.00 0.00 H new ATOM 287 N ASP A 19 -5.590 -8.664 8.319 1.00 0.00 N ATOM 288 CA ASP A 19 -5.020 -9.765 7.561 1.00 0.00 C ATOM 289 C ASP A 19 -3.790 -9.270 6.797 1.00 0.00 C ATOM 290 O ASP A 19 -3.658 -8.075 6.534 1.00 0.00 O ATOM 291 CB ASP A 19 -6.022 -10.310 6.542 1.00 0.00 C ATOM 292 CG ASP A 19 -6.189 -11.831 6.549 1.00 0.00 C ATOM 293 OD1 ASP A 19 -6.449 -12.368 7.647 1.00 0.00 O ATOM 294 OD2 ASP A 19 -6.054 -12.421 5.456 1.00 0.00 O ATOM 0 H ASP A 19 -6.609 -8.621 8.308 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.754 -10.555 8.263 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.993 -9.852 6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.710 -9.998 5.545 1.00 0.00 H new ATOM 299 N PRO A 20 -2.899 -10.237 6.453 1.00 0.00 N ATOM 300 CA PRO A 20 -1.685 -9.912 5.724 1.00 0.00 C ATOM 301 C PRO A 20 -1.990 -9.621 4.253 1.00 0.00 C ATOM 302 O PRO A 20 -1.086 -9.318 3.476 1.00 0.00 O ATOM 303 CB PRO A 20 -0.776 -11.115 5.916 1.00 0.00 C ATOM 304 CG PRO A 20 -1.682 -12.256 6.349 1.00 0.00 C ATOM 305 CD PRO A 20 -3.023 -11.662 6.748 1.00 0.00 C ATOM 0 HA PRO A 20 -1.205 -9.005 6.090 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.253 -11.361 4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.015 -10.913 6.669 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.808 -12.972 5.537 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.240 -12.797 7.186 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.840 -12.114 6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.233 -11.831 7.804 1.00 0.00 H new ATOM 313 N ASN A 21 -3.267 -9.724 3.915 1.00 0.00 N ATOM 314 CA ASN A 21 -3.702 -9.476 2.551 1.00 0.00 C ATOM 315 C ASN A 21 -4.357 -8.096 2.473 1.00 0.00 C ATOM 316 O ASN A 21 -4.669 -7.614 1.385 1.00 0.00 O ATOM 317 CB ASN A 21 -4.733 -10.515 2.104 1.00 0.00 C ATOM 318 CG ASN A 21 -4.058 -11.676 1.371 1.00 0.00 C ATOM 319 OD1 ASN A 21 -3.610 -11.554 0.243 1.00 0.00 O ATOM 320 ND2 ASN A 21 -4.012 -12.805 2.072 1.00 0.00 N ATOM 0 H ASN A 21 -4.014 -9.976 4.562 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.828 -9.533 1.902 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.274 -10.893 2.972 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.468 -10.045 1.450 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.582 -13.638 1.670 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.406 -12.838 3.012 1.00 0.00 H new ATOM 327 N GLN A 22 -4.547 -7.499 3.640 1.00 0.00 N ATOM 328 CA GLN A 22 -5.160 -6.184 3.717 1.00 0.00 C ATOM 329 C GLN A 22 -4.173 -5.172 4.303 1.00 0.00 C ATOM 330 O GLN A 22 -3.357 -5.517 5.156 1.00 0.00 O ATOM 331 CB GLN A 22 -6.451 -6.227 4.536 1.00 0.00 C ATOM 332 CG GLN A 22 -6.198 -6.809 5.929 1.00 0.00 C ATOM 333 CD GLN A 22 -7.505 -6.949 6.711 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.802 -6.188 7.617 1.00 0.00 O ATOM 335 NE2 GLN A 22 -8.268 -7.962 6.311 1.00 0.00 N ATOM 0 H GLN A 22 -4.287 -7.902 4.540 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.420 -5.867 2.707 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.862 -5.221 4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.196 -6.829 4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.718 -7.784 5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.510 -6.165 6.476 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.960 -8.561 5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.162 -8.140 6.770 1.00 0.00 H new ATOM 344 N LEU A 23 -4.280 -3.942 3.822 1.00 0.00 N ATOM 345 CA LEU A 23 -3.407 -2.878 4.287 1.00 0.00 C ATOM 346 C LEU A 23 -4.236 -1.836 5.041 1.00 0.00 C ATOM 347 O LEU A 23 -5.464 -1.911 5.059 1.00 0.00 O ATOM 348 CB LEU A 23 -2.602 -2.297 3.122 1.00 0.00 C ATOM 349 CG LEU A 23 -1.374 -3.101 2.689 1.00 0.00 C ATOM 350 CD1 LEU A 23 -0.092 -2.494 3.260 1.00 0.00 C ATOM 351 CD2 LEU A 23 -1.525 -4.577 3.062 1.00 0.00 C ATOM 0 H LEU A 23 -4.958 -3.659 3.115 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.671 -3.270 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.266 -2.194 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.277 -1.293 3.396 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.298 -3.050 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.765 -3.085 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.017 -1.470 2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.143 -2.494 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.639 -5.125 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.640 -4.669 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.404 -4.989 2.567 1.00 0.00 H new ATOM 363 N SER A 24 -3.533 -0.889 5.644 1.00 0.00 N ATOM 364 CA SER A 24 -4.189 0.166 6.397 1.00 0.00 C ATOM 365 C SER A 24 -3.530 1.513 6.094 1.00 0.00 C ATOM 366 O SER A 24 -2.350 1.567 5.748 1.00 0.00 O ATOM 367 CB SER A 24 -4.145 -0.121 7.899 1.00 0.00 C ATOM 368 OG SER A 24 -4.485 -1.472 8.195 1.00 0.00 O ATOM 0 H SER A 24 -2.515 -0.830 5.626 1.00 0.00 H new ATOM 0 HA SER A 24 -5.235 0.204 6.092 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.146 0.093 8.280 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.833 0.548 8.416 1.00 0.00 H new ATOM 0 HG SER A 24 -4.904 -1.518 9.080 1.00 0.00 H new ATOM 374 N LYS A 25 -4.320 2.567 6.234 1.00 0.00 N ATOM 375 CA LYS A 25 -3.827 3.910 5.980 1.00 0.00 C ATOM 376 C LYS A 25 -2.510 4.117 6.731 1.00 0.00 C ATOM 377 O LYS A 25 -1.477 4.382 6.118 1.00 0.00 O ATOM 378 CB LYS A 25 -4.899 4.947 6.321 1.00 0.00 C ATOM 379 CG LYS A 25 -4.478 6.344 5.858 1.00 0.00 C ATOM 380 CD LYS A 25 -4.941 7.413 6.851 1.00 0.00 C ATOM 381 CE LYS A 25 -6.345 7.911 6.504 1.00 0.00 C ATOM 382 NZ LYS A 25 -6.906 8.700 7.624 1.00 0.00 N ATOM 0 H LYS A 25 -5.298 2.518 6.520 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.613 4.043 4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.841 4.671 5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.074 4.954 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.394 6.385 5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.901 6.548 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.936 7.003 7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.242 8.249 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.308 8.523 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.995 7.063 6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.859 9.031 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.959 8.105 8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.294 9.519 7.812 1.00 0.00 H new ATOM 396 N GLU A 26 -2.590 3.988 8.047 1.00 0.00 N ATOM 397 CA GLU A 26 -1.418 4.157 8.888 1.00 0.00 C ATOM 398 C GLU A 26 -0.295 3.225 8.428 1.00 0.00 C ATOM 399 O GLU A 26 0.861 3.635 8.340 1.00 0.00 O ATOM 400 CB GLU A 26 -1.760 3.919 10.360 1.00 0.00 C ATOM 401 CG GLU A 26 -1.440 5.155 11.204 1.00 0.00 C ATOM 402 CD GLU A 26 -0.657 4.772 12.462 1.00 0.00 C ATOM 403 OE1 GLU A 26 -0.915 3.661 12.975 1.00 0.00 O ATOM 404 OE2 GLU A 26 0.180 5.599 12.882 1.00 0.00 O ATOM 0 H GLU A 26 -3.449 3.768 8.552 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.072 5.186 8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.817 3.672 10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.198 3.063 10.734 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.861 5.864 10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.366 5.657 11.486 1.00 0.00 H new ATOM 411 N GLU A 27 -0.676 1.987 8.147 1.00 0.00 N ATOM 412 CA GLU A 27 0.284 0.993 7.698 1.00 0.00 C ATOM 413 C GLU A 27 0.943 1.442 6.393 1.00 0.00 C ATOM 414 O GLU A 27 2.147 1.693 6.355 1.00 0.00 O ATOM 415 CB GLU A 27 -0.380 -0.376 7.535 1.00 0.00 C ATOM 416 CG GLU A 27 -0.590 -1.049 8.892 1.00 0.00 C ATOM 417 CD GLU A 27 -0.076 -2.490 8.875 1.00 0.00 C ATOM 418 OE1 GLU A 27 -0.822 -3.352 8.362 1.00 0.00 O ATOM 419 OE2 GLU A 27 1.050 -2.697 9.375 1.00 0.00 O ATOM 0 H GLU A 27 -1.636 1.650 8.222 1.00 0.00 H new ATOM 0 HA GLU A 27 1.059 0.896 8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.339 -0.261 7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.239 -1.011 6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.072 -0.483 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.650 -1.040 9.146 1.00 0.00 H new ATOM 426 N LEU A 28 0.125 1.531 5.354 1.00 0.00 N ATOM 427 CA LEU A 28 0.613 1.947 4.050 1.00 0.00 C ATOM 428 C LEU A 28 1.537 3.155 4.217 1.00 0.00 C ATOM 429 O LEU A 28 2.648 3.169 3.690 1.00 0.00 O ATOM 430 CB LEU A 28 -0.556 2.193 3.094 1.00 0.00 C ATOM 431 CG LEU A 28 -0.236 2.085 1.602 1.00 0.00 C ATOM 432 CD1 LEU A 28 0.892 1.082 1.354 1.00 0.00 C ATOM 433 CD2 LEU A 28 -1.491 1.748 0.795 1.00 0.00 C ATOM 0 H LEU A 28 -0.873 1.322 5.389 1.00 0.00 H new ATOM 0 HA LEU A 28 1.205 1.154 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.347 1.481 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.955 3.188 3.289 1.00 0.00 H new ATOM 0 HG LEU A 28 0.117 3.057 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.099 1.025 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.789 1.406 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.592 0.100 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.236 1.677 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.897 0.795 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.236 2.531 0.937 1.00 0.00 H new ATOM 445 N LYS A 29 1.043 4.140 4.953 1.00 0.00 N ATOM 446 CA LYS A 29 1.810 5.349 5.196 1.00 0.00 C ATOM 447 C LYS A 29 3.267 4.976 5.477 1.00 0.00 C ATOM 448 O LYS A 29 4.173 5.427 4.778 1.00 0.00 O ATOM 449 CB LYS A 29 1.163 6.180 6.306 1.00 0.00 C ATOM 450 CG LYS A 29 1.859 7.535 6.453 1.00 0.00 C ATOM 451 CD LYS A 29 0.859 8.626 6.842 1.00 0.00 C ATOM 452 CE LYS A 29 0.660 8.672 8.359 1.00 0.00 C ATOM 453 NZ LYS A 29 -0.766 8.475 8.701 1.00 0.00 N ATOM 0 H LYS A 29 0.121 4.125 5.389 1.00 0.00 H new ATOM 0 HA LYS A 29 1.808 5.985 4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.107 6.332 6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.215 5.636 7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.640 7.466 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.346 7.801 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.215 9.594 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.097 8.440 6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.264 7.899 8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.004 9.630 8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.883 8.509 9.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.335 9.227 8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.083 7.550 8.347 1.00 0.00 H new ATOM 467 N LEU A 30 3.447 4.157 6.502 1.00 0.00 N ATOM 468 CA LEU A 30 4.779 3.718 6.885 1.00 0.00 C ATOM 469 C LEU A 30 5.476 3.102 5.670 1.00 0.00 C ATOM 470 O LEU A 30 6.552 3.549 5.275 1.00 0.00 O ATOM 471 CB LEU A 30 4.708 2.782 8.093 1.00 0.00 C ATOM 472 CG LEU A 30 4.071 3.364 9.356 1.00 0.00 C ATOM 473 CD1 LEU A 30 4.415 2.519 10.584 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.464 4.831 9.542 1.00 0.00 C ATOM 0 H LEU A 30 2.693 3.785 7.080 1.00 0.00 H new ATOM 0 HA LEU A 30 5.383 4.567 7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.149 1.892 7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.720 2.458 8.337 1.00 0.00 H new ATOM 0 HG LEU A 30 2.988 3.333 9.237 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.950 2.955 11.468 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.045 1.504 10.442 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.496 2.495 10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.998 5.221 10.447 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.548 4.909 9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.127 5.410 8.682 1.00 0.00 H new ATOM 486 N LEU A 31 4.836 2.086 5.111 1.00 0.00 N ATOM 487 CA LEU A 31 5.381 1.405 3.950 1.00 0.00 C ATOM 488 C LEU A 31 5.798 2.442 2.905 1.00 0.00 C ATOM 489 O LEU A 31 6.982 2.579 2.599 1.00 0.00 O ATOM 490 CB LEU A 31 4.389 0.366 3.423 1.00 0.00 C ATOM 491 CG LEU A 31 4.998 -0.832 2.692 1.00 0.00 C ATOM 492 CD1 LEU A 31 5.025 -2.068 3.593 1.00 0.00 C ATOM 493 CD2 LEU A 31 4.267 -1.100 1.375 1.00 0.00 C ATOM 0 H LEU A 31 3.944 1.718 5.441 1.00 0.00 H new ATOM 0 HA LEU A 31 6.277 0.847 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.802 -0.006 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.696 0.865 2.746 1.00 0.00 H new ATOM 0 HG LEU A 31 6.032 -0.591 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.463 -2.905 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.623 -1.859 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.008 -2.322 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.720 -1.956 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.217 -1.312 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.343 -0.223 0.732 1.00 0.00 H new ATOM 505 N LEU A 32 4.803 3.146 2.386 1.00 0.00 N ATOM 506 CA LEU A 32 5.052 4.166 1.382 1.00 0.00 C ATOM 507 C LEU A 32 6.171 5.090 1.867 1.00 0.00 C ATOM 508 O LEU A 32 6.822 5.757 1.064 1.00 0.00 O ATOM 509 CB LEU A 32 3.756 4.901 1.032 1.00 0.00 C ATOM 510 CG LEU A 32 2.639 4.043 0.435 1.00 0.00 C ATOM 511 CD1 LEU A 32 1.390 4.882 0.160 1.00 0.00 C ATOM 512 CD2 LEU A 32 3.122 3.307 -0.817 1.00 0.00 C ATOM 0 H LEU A 32 3.823 3.030 2.642 1.00 0.00 H new ATOM 0 HA LEU A 32 5.394 3.711 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.377 5.378 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.992 5.697 0.326 1.00 0.00 H new ATOM 0 HG LEU A 32 2.363 3.285 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.612 4.248 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.033 5.320 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.634 5.677 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.309 2.704 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.443 4.033 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.959 2.659 -0.558 1.00 0.00 H new ATOM 524 N GLN A 33 6.360 5.101 3.178 1.00 0.00 N ATOM 525 CA GLN A 33 7.388 5.932 3.779 1.00 0.00 C ATOM 526 C GLN A 33 8.777 5.379 3.452 1.00 0.00 C ATOM 527 O GLN A 33 9.611 6.082 2.883 1.00 0.00 O ATOM 528 CB GLN A 33 7.187 6.047 5.292 1.00 0.00 C ATOM 529 CG GLN A 33 7.346 7.496 5.758 1.00 0.00 C ATOM 530 CD GLN A 33 7.247 7.595 7.281 1.00 0.00 C ATOM 531 OE1 GLN A 33 8.168 7.269 8.012 1.00 0.00 O ATOM 532 NE2 GLN A 33 6.081 8.063 7.718 1.00 0.00 N ATOM 0 H GLN A 33 5.818 4.547 3.841 1.00 0.00 H new ATOM 0 HA GLN A 33 7.308 6.934 3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.195 5.682 5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.909 5.414 5.808 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.309 7.885 5.426 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.576 8.116 5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.352 8.318 7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.916 8.167 8.719 1.00 0.00 H new ATOM 541 N THR A 34 8.982 4.124 3.825 1.00 0.00 N ATOM 542 CA THR A 34 10.254 3.468 3.578 1.00 0.00 C ATOM 543 C THR A 34 10.259 2.816 2.194 1.00 0.00 C ATOM 544 O THR A 34 11.178 3.032 1.405 1.00 0.00 O ATOM 545 CB THR A 34 10.505 2.478 4.717 1.00 0.00 C ATOM 546 OG1 THR A 34 11.444 3.144 5.556 1.00 0.00 O ATOM 547 CG2 THR A 34 11.246 1.223 4.250 1.00 0.00 C ATOM 0 H THR A 34 8.288 3.544 4.297 1.00 0.00 H new ATOM 0 HA THR A 34 11.073 4.187 3.566 1.00 0.00 H new ATOM 0 HB THR A 34 9.553 2.192 5.165 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.661 2.572 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.398 0.554 5.097 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.656 0.714 3.488 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.212 1.505 3.832 1.00 0.00 H new ATOM 555 N GLU A 35 9.221 2.032 1.941 1.00 0.00 N ATOM 556 CA GLU A 35 9.094 1.347 0.666 1.00 0.00 C ATOM 557 C GLU A 35 9.341 2.322 -0.487 1.00 0.00 C ATOM 558 O GLU A 35 10.313 2.181 -1.227 1.00 0.00 O ATOM 559 CB GLU A 35 7.723 0.680 0.536 1.00 0.00 C ATOM 560 CG GLU A 35 7.518 0.117 -0.872 1.00 0.00 C ATOM 561 CD GLU A 35 6.962 -1.307 -0.817 1.00 0.00 C ATOM 562 OE1 GLU A 35 7.580 -2.130 -0.108 1.00 0.00 O ATOM 563 OE2 GLU A 35 5.932 -1.540 -1.486 1.00 0.00 O ATOM 0 H GLU A 35 8.460 1.856 2.597 1.00 0.00 H new ATOM 0 HA GLU A 35 9.849 0.562 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.634 -0.122 1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.940 1.404 0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.833 0.758 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.466 0.121 -1.411 1.00 0.00 H new ATOM 570 N PHE A 36 8.443 3.290 -0.604 1.00 0.00 N ATOM 571 CA PHE A 36 8.551 4.288 -1.654 1.00 0.00 C ATOM 572 C PHE A 36 7.980 5.631 -1.195 1.00 0.00 C ATOM 573 O PHE A 36 6.783 5.880 -1.330 1.00 0.00 O ATOM 574 CB PHE A 36 7.733 3.778 -2.842 1.00 0.00 C ATOM 575 CG PHE A 36 8.513 2.865 -3.789 1.00 0.00 C ATOM 576 CD1 PHE A 36 9.552 3.362 -4.512 1.00 0.00 C ATOM 577 CD2 PHE A 36 8.167 1.554 -3.908 1.00 0.00 C ATOM 578 CE1 PHE A 36 10.276 2.514 -5.391 1.00 0.00 C ATOM 579 CE2 PHE A 36 8.891 0.706 -4.787 1.00 0.00 C ATOM 580 CZ PHE A 36 9.930 1.204 -5.510 1.00 0.00 C ATOM 0 H PHE A 36 7.638 3.404 0.011 1.00 0.00 H new ATOM 0 HA PHE A 36 9.598 4.440 -1.917 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.864 3.237 -2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.358 4.633 -3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.827 4.402 -4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.342 1.159 -3.334 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.101 2.909 -5.965 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.617 -0.334 -4.882 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.480 0.559 -6.179 1.00 0.00 H new ATOM 590 N PRO A 37 8.887 6.484 -0.647 1.00 0.00 N ATOM 591 CA PRO A 37 8.486 7.796 -0.168 1.00 0.00 C ATOM 592 C PRO A 37 8.237 8.754 -1.334 1.00 0.00 C ATOM 593 O PRO A 37 7.555 9.765 -1.177 1.00 0.00 O ATOM 594 CB PRO A 37 9.619 8.246 0.740 1.00 0.00 C ATOM 595 CG PRO A 37 10.816 7.385 0.371 1.00 0.00 C ATOM 596 CD PRO A 37 10.313 6.224 -0.471 1.00 0.00 C ATOM 0 HA PRO A 37 7.542 7.775 0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.839 9.304 0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.353 8.117 1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.550 7.969 -0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.314 7.018 1.269 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.828 6.178 -1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.483 5.270 0.028 1.00 0.00 H new ATOM 604 N SER A 38 8.805 8.402 -2.479 1.00 0.00 N ATOM 605 CA SER A 38 8.653 9.218 -3.671 1.00 0.00 C ATOM 606 C SER A 38 7.204 9.169 -4.158 1.00 0.00 C ATOM 607 O SER A 38 6.702 10.139 -4.724 1.00 0.00 O ATOM 608 CB SER A 38 9.602 8.756 -4.779 1.00 0.00 C ATOM 609 OG SER A 38 9.638 7.336 -4.893 1.00 0.00 O ATOM 0 H SER A 38 9.371 7.563 -2.606 1.00 0.00 H new ATOM 0 HA SER A 38 8.909 10.247 -3.416 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.288 9.188 -5.729 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.606 9.129 -4.576 1.00 0.00 H new ATOM 0 HG SER A 38 10.253 7.081 -5.612 1.00 0.00 H new ATOM 615 N LEU A 39 6.572 8.028 -3.921 1.00 0.00 N ATOM 616 CA LEU A 39 5.190 7.840 -4.329 1.00 0.00 C ATOM 617 C LEU A 39 4.285 8.728 -3.473 1.00 0.00 C ATOM 618 O LEU A 39 3.175 9.066 -3.882 1.00 0.00 O ATOM 619 CB LEU A 39 4.816 6.357 -4.285 1.00 0.00 C ATOM 620 CG LEU A 39 4.478 5.711 -5.630 1.00 0.00 C ATOM 621 CD1 LEU A 39 3.024 5.983 -6.019 1.00 0.00 C ATOM 622 CD2 LEU A 39 5.456 6.162 -6.717 1.00 0.00 C ATOM 0 H LEU A 39 6.991 7.225 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 39 5.053 8.149 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.644 5.807 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.959 6.238 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 39 4.587 4.631 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.810 5.513 -6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.361 5.572 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.864 7.058 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.193 5.688 -7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.403 7.245 -6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.469 5.875 -6.437 1.00 0.00 H new ATOM 634 N LEU A 40 4.792 9.080 -2.301 1.00 0.00 N ATOM 635 CA LEU A 40 4.043 9.922 -1.384 1.00 0.00 C ATOM 636 C LEU A 40 4.057 11.364 -1.895 1.00 0.00 C ATOM 637 O LEU A 40 3.032 12.043 -1.879 1.00 0.00 O ATOM 638 CB LEU A 40 4.577 9.769 0.042 1.00 0.00 C ATOM 639 CG LEU A 40 4.360 8.404 0.696 1.00 0.00 C ATOM 640 CD1 LEU A 40 5.202 8.265 1.966 1.00 0.00 C ATOM 641 CD2 LEU A 40 2.875 8.153 0.963 1.00 0.00 C ATOM 0 H LEU A 40 5.713 8.797 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 40 3.000 9.608 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.646 9.979 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.108 10.528 0.668 1.00 0.00 H new ATOM 0 HG LEU A 40 4.696 7.635 0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.029 7.285 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.258 8.369 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.920 9.042 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.749 7.175 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.490 8.925 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.326 8.180 0.022 1.00 0.00 H new ATOM 653 N LYS A 41 5.232 11.790 -2.337 1.00 0.00 N ATOM 654 CA LYS A 41 5.394 13.139 -2.851 1.00 0.00 C ATOM 655 C LYS A 41 4.530 13.310 -4.103 1.00 0.00 C ATOM 656 O LYS A 41 4.109 14.420 -4.424 1.00 0.00 O ATOM 657 CB LYS A 41 6.874 13.452 -3.078 1.00 0.00 C ATOM 658 CG LYS A 41 7.319 13.015 -4.476 1.00 0.00 C ATOM 659 CD LYS A 41 7.489 14.222 -5.400 1.00 0.00 C ATOM 660 CE LYS A 41 7.411 13.803 -6.869 1.00 0.00 C ATOM 661 NZ LYS A 41 8.767 13.711 -7.454 1.00 0.00 N ATOM 0 H LYS A 41 6.081 11.224 -2.349 1.00 0.00 H new ATOM 0 HA LYS A 41 5.046 13.869 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.046 14.521 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.477 12.944 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.260 12.469 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.583 12.330 -4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.715 14.959 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.448 14.701 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.906 12.840 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.815 14.525 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.696 13.426 -8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.236 14.637 -7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.324 13.005 -6.931 1.00 0.00 H new ATOM 675 N GLY A 42 4.292 12.193 -4.776 1.00 0.00 N ATOM 676 CA GLY A 42 3.487 12.205 -5.985 1.00 0.00 C ATOM 677 C GLY A 42 2.208 13.022 -5.784 1.00 0.00 C ATOM 678 O GLY A 42 1.920 13.467 -4.674 1.00 0.00 O ATOM 0 H GLY A 42 4.643 11.274 -4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.066 12.625 -6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.230 11.183 -6.265 1.00 0.00 H new ATOM 682 N MET A 43 1.477 13.195 -6.875 1.00 0.00 N ATOM 683 CA MET A 43 0.237 13.951 -6.832 1.00 0.00 C ATOM 684 C MET A 43 -0.771 13.297 -5.885 1.00 0.00 C ATOM 685 O MET A 43 -1.644 13.971 -5.340 1.00 0.00 O ATOM 686 CB MET A 43 -0.361 14.030 -8.238 1.00 0.00 C ATOM 687 CG MET A 43 0.486 14.926 -9.145 1.00 0.00 C ATOM 688 SD MET A 43 0.673 14.169 -10.750 1.00 0.00 S ATOM 689 CE MET A 43 0.027 15.472 -11.785 1.00 0.00 C ATOM 0 H MET A 43 1.719 12.825 -7.794 1.00 0.00 H new ATOM 0 HA MET A 43 0.456 14.953 -6.463 1.00 0.00 H new ATOM 0 HB2 MET A 43 -0.425 13.030 -8.666 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.378 14.419 -8.183 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.014 15.903 -9.248 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.465 15.091 -8.695 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.070 15.162 -12.829 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.008 15.676 -11.510 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.623 16.374 -11.649 1.00 0.00 H new ATOM 699 N SER A 44 -0.617 11.992 -5.718 1.00 0.00 N ATOM 700 CA SER A 44 -1.503 11.239 -4.846 1.00 0.00 C ATOM 701 C SER A 44 -0.822 10.988 -3.499 1.00 0.00 C ATOM 702 O SER A 44 -0.018 10.067 -3.368 1.00 0.00 O ATOM 703 CB SER A 44 -1.913 9.913 -5.489 1.00 0.00 C ATOM 704 OG SER A 44 -2.780 9.157 -4.647 1.00 0.00 O ATOM 0 H SER A 44 0.108 11.436 -6.172 1.00 0.00 H new ATOM 0 HA SER A 44 -2.406 11.828 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.410 10.109 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.021 9.327 -5.711 1.00 0.00 H new ATOM 0 HG SER A 44 -3.147 8.400 -5.150 1.00 0.00 H new ATOM 710 N THR A 45 -1.169 11.825 -2.531 1.00 0.00 N ATOM 711 CA THR A 45 -0.602 11.705 -1.199 1.00 0.00 C ATOM 712 C THR A 45 -1.228 10.522 -0.457 1.00 0.00 C ATOM 713 O THR A 45 -2.207 9.941 -0.922 1.00 0.00 O ATOM 714 CB THR A 45 -0.793 13.042 -0.482 1.00 0.00 C ATOM 715 OG1 THR A 45 -2.187 13.084 -0.190 1.00 0.00 O ATOM 716 CG2 THR A 45 -0.571 14.240 -1.407 1.00 0.00 C ATOM 0 H THR A 45 -1.836 12.589 -2.643 1.00 0.00 H new ATOM 0 HA THR A 45 0.466 11.492 -1.242 1.00 0.00 H new ATOM 0 HB THR A 45 -0.105 13.102 0.361 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.398 13.919 0.278 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.719 15.164 -0.848 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.445 14.213 -1.800 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.281 14.198 -2.233 1.00 0.00 H new ATOM 724 N LEU A 46 -0.636 10.201 0.684 1.00 0.00 N ATOM 725 CA LEU A 46 -1.124 9.099 1.495 1.00 0.00 C ATOM 726 C LEU A 46 -2.654 9.102 1.487 1.00 0.00 C ATOM 727 O LEU A 46 -3.277 8.169 0.984 1.00 0.00 O ATOM 728 CB LEU A 46 -0.516 9.156 2.898 1.00 0.00 C ATOM 729 CG LEU A 46 -0.515 7.842 3.683 1.00 0.00 C ATOM 730 CD1 LEU A 46 -1.849 7.632 4.402 1.00 0.00 C ATOM 731 CD2 LEU A 46 -0.161 6.662 2.776 1.00 0.00 C ATOM 0 H LEU A 46 0.177 10.685 1.066 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.805 8.146 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.513 9.506 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.059 9.902 3.478 1.00 0.00 H new ATOM 0 HG LEU A 46 0.258 7.902 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.822 6.691 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.021 8.454 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.656 7.601 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.167 5.741 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.894 6.588 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.831 6.815 2.350 1.00 0.00 H new ATOM 743 N ASP A 47 -3.214 10.163 2.049 1.00 0.00 N ATOM 744 CA ASP A 47 -4.659 10.300 2.113 1.00 0.00 C ATOM 745 C ASP A 47 -5.257 9.993 0.739 1.00 0.00 C ATOM 746 O ASP A 47 -6.178 9.185 0.625 1.00 0.00 O ATOM 747 CB ASP A 47 -5.061 11.726 2.495 1.00 0.00 C ATOM 748 CG ASP A 47 -5.709 11.868 3.874 1.00 0.00 C ATOM 749 OD1 ASP A 47 -6.141 10.824 4.408 1.00 0.00 O ATOM 750 OD2 ASP A 47 -5.758 13.018 4.363 1.00 0.00 O ATOM 0 H ASP A 47 -2.693 10.936 2.464 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.030 9.606 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.174 12.359 2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.754 12.106 1.744 1.00 0.00 H new ATOM 755 N GLU A 48 -4.710 10.654 -0.271 1.00 0.00 N ATOM 756 CA GLU A 48 -5.178 10.462 -1.632 1.00 0.00 C ATOM 757 C GLU A 48 -5.119 8.980 -2.010 1.00 0.00 C ATOM 758 O GLU A 48 -6.081 8.434 -2.548 1.00 0.00 O ATOM 759 CB GLU A 48 -4.370 11.311 -2.615 1.00 0.00 C ATOM 760 CG GLU A 48 -5.222 12.442 -3.194 1.00 0.00 C ATOM 761 CD GLU A 48 -4.753 12.818 -4.601 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.872 11.948 -5.490 1.00 0.00 O ATOM 763 OE2 GLU A 48 -4.285 13.967 -4.754 1.00 0.00 O ATOM 0 H GLU A 48 -3.947 11.323 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.216 10.790 -1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.500 11.729 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.997 10.682 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.267 12.135 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.166 13.314 -2.543 1.00 0.00 H new ATOM 770 N LEU A 49 -3.980 8.372 -1.713 1.00 0.00 N ATOM 771 CA LEU A 49 -3.783 6.964 -2.015 1.00 0.00 C ATOM 772 C LEU A 49 -4.836 6.136 -1.275 1.00 0.00 C ATOM 773 O LEU A 49 -5.576 5.372 -1.893 1.00 0.00 O ATOM 774 CB LEU A 49 -2.344 6.547 -1.705 1.00 0.00 C ATOM 775 CG LEU A 49 -1.600 5.820 -2.828 1.00 0.00 C ATOM 776 CD1 LEU A 49 -0.804 6.805 -3.685 1.00 0.00 C ATOM 777 CD2 LEU A 49 -0.717 4.704 -2.267 1.00 0.00 C ATOM 0 H LEU A 49 -3.184 8.828 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.922 6.779 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.777 7.439 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.355 5.902 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.338 5.350 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.285 6.263 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.484 7.532 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.075 7.323 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.200 4.203 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.015 5.130 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.337 3.983 -1.734 1.00 0.00 H new ATOM 789 N PHE A 50 -4.870 6.316 0.037 1.00 0.00 N ATOM 790 CA PHE A 50 -5.820 5.596 0.867 1.00 0.00 C ATOM 791 C PHE A 50 -7.205 5.568 0.217 1.00 0.00 C ATOM 792 O PHE A 50 -7.825 4.510 0.114 1.00 0.00 O ATOM 793 CB PHE A 50 -5.909 6.344 2.198 1.00 0.00 C ATOM 794 CG PHE A 50 -6.744 5.627 3.261 1.00 0.00 C ATOM 795 CD1 PHE A 50 -6.610 4.285 3.439 1.00 0.00 C ATOM 796 CD2 PHE A 50 -7.619 6.331 4.027 1.00 0.00 C ATOM 797 CE1 PHE A 50 -7.385 3.619 4.425 1.00 0.00 C ATOM 798 CE2 PHE A 50 -8.394 5.665 5.014 1.00 0.00 C ATOM 799 CZ PHE A 50 -8.260 4.323 5.192 1.00 0.00 C ATOM 0 H PHE A 50 -4.254 6.950 0.546 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.490 4.566 1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.902 6.497 2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.336 7.331 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.914 3.726 2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.725 7.396 3.885 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -7.280 2.553 4.566 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.089 6.224 5.623 1.00 0.00 H new ATOM 0 HZ PHE A 50 -8.849 3.817 5.943 1.00 0.00 H new ATOM 809 N GLU A 51 -7.649 6.742 -0.205 1.00 0.00 N ATOM 810 CA GLU A 51 -8.949 6.866 -0.841 1.00 0.00 C ATOM 811 C GLU A 51 -8.894 6.321 -2.270 1.00 0.00 C ATOM 812 O GLU A 51 -9.816 5.639 -2.714 1.00 0.00 O ATOM 813 CB GLU A 51 -9.432 8.318 -0.826 1.00 0.00 C ATOM 814 CG GLU A 51 -10.871 8.412 -0.316 1.00 0.00 C ATOM 815 CD GLU A 51 -11.431 9.822 -0.513 1.00 0.00 C ATOM 816 OE1 GLU A 51 -10.930 10.734 0.178 1.00 0.00 O ATOM 817 OE2 GLU A 51 -12.349 9.956 -1.351 1.00 0.00 O ATOM 0 H GLU A 51 -7.131 7.617 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.667 6.274 -0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.778 8.916 -0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.371 8.736 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.496 7.692 -0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.904 8.148 0.741 1.00 0.00 H new ATOM 824 N GLU A 52 -7.804 6.644 -2.951 1.00 0.00 N ATOM 825 CA GLU A 52 -7.617 6.196 -4.320 1.00 0.00 C ATOM 826 C GLU A 52 -7.709 4.670 -4.397 1.00 0.00 C ATOM 827 O GLU A 52 -8.527 4.131 -5.139 1.00 0.00 O ATOM 828 CB GLU A 52 -6.284 6.694 -4.883 1.00 0.00 C ATOM 829 CG GLU A 52 -6.201 6.452 -6.391 1.00 0.00 C ATOM 830 CD GLU A 52 -4.752 6.234 -6.833 1.00 0.00 C ATOM 831 OE1 GLU A 52 -4.149 5.258 -6.337 1.00 0.00 O ATOM 832 OE2 GLU A 52 -4.281 7.049 -7.655 1.00 0.00 O ATOM 0 H GLU A 52 -7.041 7.211 -2.580 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.413 6.620 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.172 7.758 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.461 6.184 -4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.801 5.582 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.623 7.304 -6.923 1.00 0.00 H new ATOM 839 N LEU A 53 -6.857 4.019 -3.619 1.00 0.00 N ATOM 840 CA LEU A 53 -6.831 2.566 -3.589 1.00 0.00 C ATOM 841 C LEU A 53 -8.169 2.048 -3.056 1.00 0.00 C ATOM 842 O LEU A 53 -8.868 1.304 -3.742 1.00 0.00 O ATOM 843 CB LEU A 53 -5.620 2.068 -2.799 1.00 0.00 C ATOM 844 CG LEU A 53 -4.274 2.697 -3.167 1.00 0.00 C ATOM 845 CD1 LEU A 53 -3.344 2.751 -1.953 1.00 0.00 C ATOM 846 CD2 LEU A 53 -3.633 1.967 -4.348 1.00 0.00 C ATOM 0 H LEU A 53 -6.180 4.471 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.712 2.166 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.804 2.246 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.543 0.989 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.452 3.725 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.395 3.202 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.806 3.349 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.168 1.740 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.678 2.434 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.470 0.922 -4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.294 2.024 -5.213 1.00 0.00 H new ATOM 858 N ASP A 54 -8.484 2.461 -1.837 1.00 0.00 N ATOM 859 CA ASP A 54 -9.725 2.048 -1.204 1.00 0.00 C ATOM 860 C ASP A 54 -10.902 2.725 -1.909 1.00 0.00 C ATOM 861 O ASP A 54 -10.716 3.423 -2.904 1.00 0.00 O ATOM 862 CB ASP A 54 -9.756 2.459 0.269 1.00 0.00 C ATOM 863 CG ASP A 54 -10.664 1.609 1.159 1.00 0.00 C ATOM 864 OD1 ASP A 54 -10.822 0.413 0.831 1.00 0.00 O ATOM 865 OD2 ASP A 54 -11.180 2.174 2.147 1.00 0.00 O ATOM 0 H ASP A 54 -7.901 3.077 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.795 0.963 -1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.741 2.415 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.079 3.498 0.334 1.00 0.00 H new ATOM 947 N VAL A 61 -7.097 -1.396 2.331 1.00 0.00 N ATOM 948 CA VAL A 61 -6.352 -1.419 1.084 1.00 0.00 C ATOM 949 C VAL A 61 -5.901 -2.851 0.790 1.00 0.00 C ATOM 950 O VAL A 61 -4.728 -3.183 0.956 1.00 0.00 O ATOM 951 CB VAL A 61 -5.188 -0.428 1.151 1.00 0.00 C ATOM 952 CG1 VAL A 61 -4.334 -0.498 -0.116 1.00 0.00 C ATOM 953 CG2 VAL A 61 -5.694 0.995 1.394 1.00 0.00 C ATOM 0 HA VAL A 61 -6.985 -1.101 0.256 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.557 -0.708 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.514 0.216 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.930 -1.504 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.949 -0.256 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.847 1.680 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.357 1.289 0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.239 1.031 2.337 1.00 0.00 H new ATOM 963 N SER A 62 -6.856 -3.662 0.358 1.00 0.00 N ATOM 964 CA SER A 62 -6.572 -5.051 0.040 1.00 0.00 C ATOM 965 C SER A 62 -5.334 -5.140 -0.855 1.00 0.00 C ATOM 966 O SER A 62 -5.029 -4.205 -1.593 1.00 0.00 O ATOM 967 CB SER A 62 -7.770 -5.715 -0.643 1.00 0.00 C ATOM 968 OG SER A 62 -9.007 -5.142 -0.228 1.00 0.00 O ATOM 0 H SER A 62 -7.828 -3.383 0.221 1.00 0.00 H new ATOM 0 HA SER A 62 -6.378 -5.583 0.971 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.670 -5.618 -1.724 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.771 -6.781 -0.417 1.00 0.00 H new ATOM 0 HG SER A 62 -9.316 -4.505 -0.905 1.00 0.00 H new ATOM 974 N PHE A 63 -4.655 -6.273 -0.759 1.00 0.00 N ATOM 975 CA PHE A 63 -3.457 -6.497 -1.550 1.00 0.00 C ATOM 976 C PHE A 63 -3.706 -6.175 -3.025 1.00 0.00 C ATOM 977 O PHE A 63 -2.861 -5.571 -3.684 1.00 0.00 O ATOM 978 CB PHE A 63 -3.102 -7.979 -1.416 1.00 0.00 C ATOM 979 CG PHE A 63 -1.625 -8.290 -1.666 1.00 0.00 C ATOM 980 CD1 PHE A 63 -1.038 -7.908 -2.832 1.00 0.00 C ATOM 981 CD2 PHE A 63 -0.900 -8.950 -0.724 1.00 0.00 C ATOM 982 CE1 PHE A 63 0.333 -8.197 -3.064 1.00 0.00 C ATOM 983 CE2 PHE A 63 0.471 -9.239 -0.956 1.00 0.00 C ATOM 984 CZ PHE A 63 1.058 -8.857 -2.121 1.00 0.00 C ATOM 0 H PHE A 63 -4.912 -7.046 -0.145 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.652 -5.853 -1.196 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.370 -8.317 -0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.707 -8.552 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.614 -7.385 -3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.367 -9.255 0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.800 -7.893 -3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.047 -9.762 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.100 -9.078 -2.298 1.00 0.00 H new ATOM 994 N GLU A 64 -4.870 -6.595 -3.500 1.00 0.00 N ATOM 995 CA GLU A 64 -5.241 -6.359 -4.885 1.00 0.00 C ATOM 996 C GLU A 64 -5.236 -4.860 -5.188 1.00 0.00 C ATOM 997 O GLU A 64 -4.446 -4.390 -6.006 1.00 0.00 O ATOM 998 CB GLU A 64 -6.604 -6.978 -5.200 1.00 0.00 C ATOM 999 CG GLU A 64 -6.480 -8.484 -5.443 1.00 0.00 C ATOM 1000 CD GLU A 64 -6.605 -8.811 -6.932 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -7.761 -8.922 -7.394 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -5.541 -8.942 -7.576 1.00 0.00 O ATOM 0 H GLU A 64 -5.568 -7.097 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.503 -6.841 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.290 -6.795 -4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.031 -6.498 -6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.520 -8.839 -5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.254 -9.011 -4.885 1.00 0.00 H new ATOM 1009 N GLU A 65 -6.128 -4.149 -4.513 1.00 0.00 N ATOM 1010 CA GLU A 65 -6.236 -2.712 -4.700 1.00 0.00 C ATOM 1011 C GLU A 65 -4.855 -2.060 -4.614 1.00 0.00 C ATOM 1012 O GLU A 65 -4.576 -1.093 -5.322 1.00 0.00 O ATOM 1013 CB GLU A 65 -7.198 -2.098 -3.681 1.00 0.00 C ATOM 1014 CG GLU A 65 -8.652 -2.410 -4.041 1.00 0.00 C ATOM 1015 CD GLU A 65 -9.563 -2.258 -2.821 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -9.925 -1.099 -2.525 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -9.877 -3.304 -2.213 1.00 0.00 O ATOM 0 H GLU A 65 -6.782 -4.541 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.643 -2.524 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.975 -2.485 -2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.053 -1.018 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.986 -1.741 -4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.724 -3.426 -4.429 1.00 0.00 H new ATOM 1024 N PHE A 66 -4.027 -2.615 -3.741 1.00 0.00 N ATOM 1025 CA PHE A 66 -2.682 -2.099 -3.553 1.00 0.00 C ATOM 1026 C PHE A 66 -1.806 -2.396 -4.772 1.00 0.00 C ATOM 1027 O PHE A 66 -1.024 -1.548 -5.200 1.00 0.00 O ATOM 1028 CB PHE A 66 -2.096 -2.812 -2.333 1.00 0.00 C ATOM 1029 CG PHE A 66 -0.584 -2.635 -2.175 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -0.054 -1.388 -2.059 1.00 0.00 C ATOM 1031 CD2 PHE A 66 0.229 -3.725 -2.151 1.00 0.00 C ATOM 1032 CE1 PHE A 66 1.349 -1.225 -1.913 1.00 0.00 C ATOM 1033 CE2 PHE A 66 1.632 -3.561 -2.005 1.00 0.00 C ATOM 1034 CZ PHE A 66 2.162 -2.315 -1.889 1.00 0.00 C ATOM 0 H PHE A 66 -4.262 -3.417 -3.156 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.714 -1.018 -3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.591 -2.440 -1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.321 -3.876 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.700 -0.522 -2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.192 -4.715 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.771 -0.235 -1.821 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.278 -4.426 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.229 -2.190 -1.778 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.966 -3.602 -5.296 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.199 -4.021 -6.457 1.00 0.00 C ATOM 1046 C GLN A 67 -1.289 -2.966 -7.562 1.00 0.00 C ATOM 1047 O GLN A 67 -0.370 -2.825 -8.367 1.00 0.00 O ATOM 1048 CB GLN A 67 -1.671 -5.386 -6.962 1.00 0.00 C ATOM 1049 CG GLN A 67 -1.429 -6.473 -5.913 1.00 0.00 C ATOM 1050 CD GLN A 67 -0.752 -7.695 -6.536 1.00 0.00 C ATOM 1051 OE1 GLN A 67 0.098 -7.591 -7.405 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -1.174 -8.857 -6.044 1.00 0.00 N ATOM 0 H GLN A 67 -2.615 -4.302 -4.938 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.155 -4.121 -6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.733 -5.340 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.144 -5.640 -7.882 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.806 -6.077 -5.111 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.377 -6.768 -5.464 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.889 -8.873 -5.317 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.782 -9.731 -6.394 1.00 0.00 H new ATOM 1061 N VAL A 68 -2.406 -2.252 -7.564 1.00 0.00 N ATOM 1062 CA VAL A 68 -2.628 -1.215 -8.557 1.00 0.00 C ATOM 1063 C VAL A 68 -1.536 -0.151 -8.429 1.00 0.00 C ATOM 1064 O VAL A 68 -1.106 0.426 -9.428 1.00 0.00 O ATOM 1065 CB VAL A 68 -4.039 -0.643 -8.410 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -4.227 0.588 -9.298 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -5.096 -1.706 -8.715 1.00 0.00 C ATOM 0 H VAL A 68 -3.166 -2.371 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.563 -1.629 -9.563 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.167 -0.331 -7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.239 0.975 -9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.508 1.356 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.069 0.312 -10.341 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.090 -1.273 -8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.969 -2.063 -9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.983 -2.540 -8.023 1.00 0.00 H new ATOM 1077 N LEU A 69 -1.117 0.077 -7.193 1.00 0.00 N ATOM 1078 CA LEU A 69 -0.083 1.061 -6.922 1.00 0.00 C ATOM 1079 C LEU A 69 1.287 0.451 -7.221 1.00 0.00 C ATOM 1080 O LEU A 69 2.155 1.112 -7.789 1.00 0.00 O ATOM 1081 CB LEU A 69 -0.218 1.602 -5.497 1.00 0.00 C ATOM 1082 CG LEU A 69 0.724 2.747 -5.122 1.00 0.00 C ATOM 1083 CD1 LEU A 69 0.064 4.104 -5.372 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.214 2.604 -3.680 1.00 0.00 C ATOM 0 H LEU A 69 -1.475 -0.403 -6.367 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.198 1.924 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.244 1.941 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.054 0.780 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 69 1.601 2.693 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.755 4.901 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.193 4.195 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.841 4.185 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.882 3.431 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.360 2.618 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.749 1.661 -3.569 1.00 0.00 H new ATOM 1096 N VAL A 70 1.439 -0.805 -6.826 1.00 0.00 N ATOM 1097 CA VAL A 70 2.690 -1.512 -7.044 1.00 0.00 C ATOM 1098 C VAL A 70 3.032 -1.484 -8.535 1.00 0.00 C ATOM 1099 O VAL A 70 4.170 -1.203 -8.909 1.00 0.00 O ATOM 1100 CB VAL A 70 2.594 -2.930 -6.479 1.00 0.00 C ATOM 1101 CG1 VAL A 70 3.547 -3.878 -7.211 1.00 0.00 C ATOM 1102 CG2 VAL A 70 2.862 -2.939 -4.973 1.00 0.00 C ATOM 0 H VAL A 70 0.717 -1.351 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 70 3.505 -1.020 -6.514 1.00 0.00 H new ATOM 0 HB VAL A 70 1.577 -3.287 -6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.459 -4.879 -6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.290 -3.906 -8.270 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.572 -3.525 -7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.788 -3.959 -4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.863 -2.553 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.127 -2.312 -4.469 1.00 0.00 H new ATOM 1112 N LYS A 71 2.027 -1.780 -9.346 1.00 0.00 N ATOM 1113 CA LYS A 71 2.208 -1.793 -10.788 1.00 0.00 C ATOM 1114 C LYS A 71 2.780 -0.447 -11.238 1.00 0.00 C ATOM 1115 O LYS A 71 3.710 -0.401 -12.041 1.00 0.00 O ATOM 1116 CB LYS A 71 0.901 -2.170 -11.488 1.00 0.00 C ATOM 1117 CG LYS A 71 1.171 -3.016 -12.735 1.00 0.00 C ATOM 1118 CD LYS A 71 0.494 -2.410 -13.966 1.00 0.00 C ATOM 1119 CE LYS A 71 -0.798 -3.156 -14.304 1.00 0.00 C ATOM 1120 NZ LYS A 71 -1.654 -2.334 -15.189 1.00 0.00 N ATOM 0 H LYS A 71 1.085 -2.013 -9.032 1.00 0.00 H new ATOM 0 HA LYS A 71 2.929 -2.558 -11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.262 -2.724 -10.800 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.360 -1.266 -11.768 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.245 -3.087 -12.905 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.805 -4.030 -12.577 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.274 -1.358 -13.783 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.175 -2.450 -14.817 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.562 -4.102 -14.792 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.337 -3.396 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.527 -2.855 -15.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.894 -1.443 -14.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.143 -2.126 -16.071 1.00 0.00 H new ATOM 1134 N LYS A 72 2.200 0.616 -10.700 1.00 0.00 N ATOM 1135 CA LYS A 72 2.640 1.959 -11.036 1.00 0.00 C ATOM 1136 C LYS A 72 4.019 2.208 -10.422 1.00 0.00 C ATOM 1137 O LYS A 72 4.767 3.063 -10.893 1.00 0.00 O ATOM 1138 CB LYS A 72 1.587 2.988 -10.620 1.00 0.00 C ATOM 1139 CG LYS A 72 0.315 2.840 -11.456 1.00 0.00 C ATOM 1140 CD LYS A 72 0.508 3.425 -12.857 1.00 0.00 C ATOM 1141 CE LYS A 72 -0.717 4.236 -13.285 1.00 0.00 C ATOM 1142 NZ LYS A 72 -0.653 5.606 -12.728 1.00 0.00 N ATOM 0 H LYS A 72 1.429 0.574 -10.034 1.00 0.00 H new ATOM 0 HA LYS A 72 2.747 2.065 -12.115 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.349 2.863 -9.564 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.990 3.994 -10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.046 1.786 -11.532 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.513 3.345 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.393 4.061 -12.871 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.683 2.620 -13.570 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.768 4.282 -14.373 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.626 3.740 -12.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.492 6.142 -13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.626 5.558 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.204 6.082 -13.074 1.00 0.00 H new ATOM 1156 N ILE A 73 4.314 1.444 -9.380 1.00 0.00 N ATOM 1157 CA ILE A 73 5.590 1.570 -8.697 1.00 0.00 C ATOM 1158 C ILE A 73 6.679 0.890 -9.530 1.00 0.00 C ATOM 1159 O ILE A 73 7.736 1.472 -9.770 1.00 0.00 O ATOM 1160 CB ILE A 73 5.487 1.037 -7.267 1.00 0.00 C ATOM 1161 CG1 ILE A 73 4.669 1.984 -6.386 1.00 0.00 C ATOM 1162 CG2 ILE A 73 6.875 0.765 -6.682 1.00 0.00 C ATOM 1163 CD1 ILE A 73 4.184 1.274 -5.121 1.00 0.00 C ATOM 0 H ILE A 73 3.691 0.736 -8.992 1.00 0.00 H new ATOM 0 HA ILE A 73 5.869 2.619 -8.602 1.00 0.00 H new ATOM 0 HB ILE A 73 4.957 0.085 -7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.276 2.847 -6.113 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.813 2.360 -6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.773 0.387 -5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.389 0.025 -7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.452 1.690 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.605 1.969 -4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.558 0.426 -5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.043 0.920 -4.550 1.00 0.00 H new ATOM 1175 N SER A 74 6.384 -0.332 -9.947 1.00 0.00 N ATOM 1176 CA SER A 74 7.325 -1.097 -10.748 1.00 0.00 C ATOM 1177 C SER A 74 7.341 -0.568 -12.184 1.00 0.00 C ATOM 1178 O SER A 74 8.398 -0.222 -12.709 1.00 0.00 O ATOM 1179 CB SER A 74 6.975 -2.586 -10.735 1.00 0.00 C ATOM 1180 OG SER A 74 7.826 -3.327 -9.864 1.00 0.00 O ATOM 0 H SER A 74 5.507 -0.812 -9.745 1.00 0.00 H new ATOM 0 HA SER A 74 8.318 -0.981 -10.314 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.938 -2.712 -10.423 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.054 -2.986 -11.746 1.00 0.00 H new ATOM 0 HG SER A 74 7.569 -4.273 -9.882 1.00 0.00 H new ATOM 1186 N GLN A 75 6.157 -0.522 -12.777 1.00 0.00 N ATOM 1187 CA GLN A 75 6.023 -0.041 -14.142 1.00 0.00 C ATOM 1188 C GLN A 75 6.231 1.473 -14.194 1.00 0.00 C ATOM 1189 O GLN A 75 7.221 1.948 -14.748 1.00 0.00 O ATOM 1190 CB GLN A 75 4.663 -0.428 -14.727 1.00 0.00 C ATOM 1191 CG GLN A 75 4.820 -1.040 -16.121 1.00 0.00 C ATOM 1192 CD GLN A 75 5.797 -2.217 -16.096 1.00 0.00 C ATOM 1193 OE1 GLN A 75 6.783 -2.255 -16.814 1.00 0.00 O ATOM 1194 NE2 GLN A 75 5.470 -3.173 -15.231 1.00 0.00 N ATOM 0 H GLN A 75 5.282 -0.810 -12.338 1.00 0.00 H new ATOM 0 HA GLN A 75 6.793 -0.514 -14.751 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.168 -1.140 -14.067 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.023 0.453 -14.782 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.849 -1.376 -16.486 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.177 -0.281 -16.817 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.630 -3.078 -14.660 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.059 -4.001 -15.139 1.00 0.00 H new