USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 593 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 60 MET CE :methyl -172:sc= -1.11 (180deg=-1.54) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 63 ASN : amide:sc= 0 X(o=-1.1,f=-1.5) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 11 CYS SG : rot 30:sc= 0.102 USER MOD Single : A 15 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -30:sc= 0.355 USER MOD Single : A 34 GLN : amide:sc= -0.751 K(o=-0.75,f=-1.7!) USER MOD Single : A 35 SER OG : rot 16:sc= 0.324 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc=-0.00223 X(o=-0.0022,f=-0.0095) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -2.6! K(o=-2.6!,f=-2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -144:sc= -0.766 (180deg=-1.19) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0758 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -14.814 3.035 -8.236 1.00 0.00 N ATOM 67 CA VAL A 8 -13.906 3.896 -8.984 1.00 0.00 C ATOM 68 C VAL A 8 -12.481 3.785 -8.454 1.00 0.00 C ATOM 69 O VAL A 8 -12.222 4.059 -7.282 1.00 0.00 O ATOM 70 CB VAL A 8 -14.351 5.369 -8.923 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.303 6.271 -9.557 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.701 5.546 -9.603 1.00 0.00 C ATOM 0 HA VAL A 8 -13.932 3.559 -10.020 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.456 5.655 -7.877 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.635 7.308 -9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.360 6.165 -9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.162 5.988 -10.600 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.000 6.593 -9.551 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.625 5.242 -10.647 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.446 4.930 -9.099 1.00 0.00 H new ATOM 82 N GLN A 9 -11.561 3.382 -9.324 1.00 0.00 N ATOM 83 CA GLN A 9 -10.161 3.235 -8.943 1.00 0.00 C ATOM 84 C GLN A 9 -9.344 4.441 -9.393 1.00 0.00 C ATOM 85 O GLN A 9 -9.708 5.127 -10.349 1.00 0.00 O ATOM 86 CB GLN A 9 -9.578 1.956 -9.546 1.00 0.00 C ATOM 87 CG GLN A 9 -10.592 0.832 -9.685 1.00 0.00 C ATOM 88 CD GLN A 9 -10.029 -0.377 -10.406 1.00 0.00 C ATOM 89 OE1 GLN A 9 -9.212 -0.245 -11.318 1.00 0.00 O ATOM 90 NE2 GLN A 9 -10.463 -1.564 -10.000 1.00 0.00 N ATOM 0 H GLN A 9 -11.760 3.151 -10.298 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.112 3.171 -7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.163 2.183 -10.528 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.752 1.614 -8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.935 0.532 -8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -11.464 1.199 -10.226 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -11.141 -1.627 -9.240 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.119 -2.413 -10.448 1.00 0.00 H new ATOM 99 N ARG A 10 -8.240 4.695 -8.698 1.00 0.00 N ATOM 100 CA ARG A 10 -7.373 5.820 -9.026 1.00 0.00 C ATOM 101 C ARG A 10 -5.906 5.403 -8.993 1.00 0.00 C ATOM 102 O ARG A 10 -5.501 4.584 -8.167 1.00 0.00 O ATOM 103 CB ARG A 10 -7.608 6.974 -8.050 1.00 0.00 C ATOM 104 CG ARG A 10 -6.957 8.278 -8.480 1.00 0.00 C ATOM 105 CD ARG A 10 -7.110 9.355 -7.417 1.00 0.00 C ATOM 106 NE ARG A 10 -8.411 10.015 -7.491 1.00 0.00 N ATOM 107 CZ ARG A 10 -9.508 9.545 -6.910 1.00 0.00 C ATOM 108 NH1 ARG A 10 -9.463 8.417 -6.215 1.00 0.00 N ATOM 109 NH2 ARG A 10 -10.655 10.203 -7.023 1.00 0.00 N ATOM 0 H ARG A 10 -7.925 4.137 -7.904 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.616 6.152 -10.035 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.681 7.132 -7.940 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.225 6.693 -7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.899 8.109 -8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.406 8.620 -9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.984 8.911 -6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.320 10.096 -7.536 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.480 10.885 -8.018 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.584 7.908 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.308 8.058 -5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.694 11.071 -7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.497 9.840 -6.576 1.00 0.00 H new ATOM 123 N CYS A 11 -5.114 5.971 -9.896 1.00 0.00 N ATOM 124 CA CYS A 11 -3.692 5.657 -9.972 1.00 0.00 C ATOM 125 C CYS A 11 -2.857 6.756 -9.322 1.00 0.00 C ATOM 126 O CYS A 11 -3.052 7.941 -9.593 1.00 0.00 O ATOM 127 CB CYS A 11 -3.266 5.471 -11.429 1.00 0.00 C ATOM 128 SG CYS A 11 -3.598 6.902 -12.483 1.00 0.00 S ATOM 0 H CYS A 11 -5.433 6.651 -10.586 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.521 4.727 -9.430 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.199 5.251 -11.459 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.782 4.603 -11.839 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.527 7.989 -11.774 1.00 0.00 H new ATOM 134 N VAL A 12 -1.927 6.354 -8.461 1.00 0.00 N ATOM 135 CA VAL A 12 -1.063 7.305 -7.771 1.00 0.00 C ATOM 136 C VAL A 12 0.400 6.890 -7.872 1.00 0.00 C ATOM 137 O VAL A 12 0.750 5.740 -7.603 1.00 0.00 O ATOM 138 CB VAL A 12 -1.447 7.436 -6.285 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.343 6.089 -5.586 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.569 8.471 -5.598 1.00 0.00 C ATOM 0 H VAL A 12 -1.753 5.377 -8.225 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.199 8.270 -8.260 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.482 7.772 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.618 6.201 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.017 5.378 -6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.319 5.721 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.854 8.551 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.475 8.167 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.699 9.438 -6.084 1.00 0.00 H new ATOM 150 N ILE A 13 1.251 7.833 -8.261 1.00 0.00 N ATOM 151 CA ILE A 13 2.678 7.566 -8.396 1.00 0.00 C ATOM 152 C ILE A 13 3.476 8.280 -7.310 1.00 0.00 C ATOM 153 O ILE A 13 3.335 9.488 -7.115 1.00 0.00 O ATOM 154 CB ILE A 13 3.205 8.003 -9.776 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.472 7.249 -10.887 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.705 7.767 -9.869 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.759 7.785 -12.272 1.00 0.00 C ATOM 0 H ILE A 13 0.977 8.789 -8.488 1.00 0.00 H new ATOM 0 HA ILE A 13 2.809 6.489 -8.291 1.00 0.00 H new ATOM 0 HB ILE A 13 3.016 9.069 -9.900 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.754 6.197 -10.848 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.399 7.299 -10.702 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.063 8.081 -10.850 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.213 8.344 -9.096 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.916 6.707 -9.728 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.206 7.203 -13.009 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.451 8.829 -12.329 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.827 7.710 -12.477 1.00 0.00 H new ATOM 169 N ILE A 14 4.315 7.527 -6.608 1.00 0.00 N ATOM 170 CA ILE A 14 5.138 8.089 -5.544 1.00 0.00 C ATOM 171 C ILE A 14 6.599 8.182 -5.971 1.00 0.00 C ATOM 172 O ILE A 14 7.172 7.215 -6.472 1.00 0.00 O ATOM 173 CB ILE A 14 5.044 7.250 -4.256 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.579 6.980 -3.904 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.748 7.959 -3.109 1.00 0.00 C ATOM 176 CD1 ILE A 14 3.392 5.832 -2.936 1.00 0.00 C ATOM 0 H ILE A 14 4.443 6.526 -6.756 1.00 0.00 H new ATOM 0 HA ILE A 14 4.755 9.090 -5.344 1.00 0.00 H new ATOM 0 HB ILE A 14 5.540 6.294 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.145 7.882 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.027 6.766 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.673 7.353 -2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.798 8.105 -3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.278 8.927 -2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.330 5.698 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.796 4.919 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.915 6.052 -2.006 1.00 0.00 H new ATOM 188 N GLN A 15 7.196 9.352 -5.766 1.00 0.00 N ATOM 189 CA GLN A 15 8.592 9.570 -6.129 1.00 0.00 C ATOM 190 C GLN A 15 9.461 9.719 -4.884 1.00 0.00 C ATOM 191 O GLN A 15 9.198 10.563 -4.028 1.00 0.00 O ATOM 192 CB GLN A 15 8.723 10.815 -7.008 1.00 0.00 C ATOM 193 CG GLN A 15 8.554 12.119 -6.246 1.00 0.00 C ATOM 194 CD GLN A 15 8.379 13.313 -7.164 1.00 0.00 C ATOM 195 OE1 GLN A 15 8.205 13.161 -8.373 1.00 0.00 O ATOM 196 NE2 GLN A 15 8.423 14.511 -6.592 1.00 0.00 N ATOM 0 H GLN A 15 6.736 10.162 -5.351 1.00 0.00 H new ATOM 0 HA GLN A 15 8.936 8.700 -6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.701 10.809 -7.488 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.978 10.769 -7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.688 12.041 -5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.425 12.279 -5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.569 14.591 -5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.310 15.351 -7.159 1.00 0.00 H new ATOM 205 N LYS A 16 10.496 8.892 -4.790 1.00 0.00 N ATOM 206 CA LYS A 16 11.406 8.930 -3.651 1.00 0.00 C ATOM 207 C LYS A 16 11.587 10.359 -3.148 1.00 0.00 C ATOM 208 O LYS A 16 12.074 11.226 -3.873 1.00 0.00 O ATOM 209 CB LYS A 16 12.763 8.338 -4.036 1.00 0.00 C ATOM 210 CG LYS A 16 13.380 8.979 -5.267 1.00 0.00 C ATOM 211 CD LYS A 16 14.688 8.307 -5.650 1.00 0.00 C ATOM 212 CE LYS A 16 14.456 7.128 -6.583 1.00 0.00 C ATOM 213 NZ LYS A 16 15.736 6.573 -7.103 1.00 0.00 N ATOM 0 H LYS A 16 10.726 8.186 -5.490 1.00 0.00 H new ATOM 0 HA LYS A 16 10.971 8.333 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.449 8.449 -3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.646 7.269 -4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.680 8.916 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.556 10.038 -5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.343 9.032 -6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.200 7.965 -4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.910 6.347 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.831 7.443 -7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.536 5.772 -7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.245 7.311 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.322 6.249 -6.308 1.00 0.00 H new ATOM 281 N PHE A 21 10.864 5.299 -0.143 1.00 0.00 N ATOM 282 CA PHE A 21 9.475 5.459 0.273 1.00 0.00 C ATOM 283 C PHE A 21 9.373 5.590 1.790 1.00 0.00 C ATOM 284 O PHE A 21 10.338 5.342 2.512 1.00 0.00 O ATOM 285 CB PHE A 21 8.638 4.271 -0.206 1.00 0.00 C ATOM 286 CG PHE A 21 8.815 3.961 -1.664 1.00 0.00 C ATOM 287 CD1 PHE A 21 8.500 4.904 -2.630 1.00 0.00 C ATOM 288 CD2 PHE A 21 9.298 2.727 -2.071 1.00 0.00 C ATOM 289 CE1 PHE A 21 8.662 4.621 -3.973 1.00 0.00 C ATOM 290 CE2 PHE A 21 9.462 2.439 -3.413 1.00 0.00 C ATOM 291 CZ PHE A 21 9.144 3.388 -4.365 1.00 0.00 C ATOM 0 HA PHE A 21 9.089 6.373 -0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.904 3.391 0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.585 4.477 -0.012 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.124 5.871 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.549 1.982 -1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.412 5.364 -4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.838 1.473 -3.717 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.272 3.166 -5.414 1.00 0.00 H new ATOM 301 N GLY A 22 8.195 5.982 2.266 1.00 0.00 N ATOM 302 CA GLY A 22 7.987 6.141 3.693 1.00 0.00 C ATOM 303 C GLY A 22 6.781 5.370 4.192 1.00 0.00 C ATOM 304 O GLY A 22 6.388 5.501 5.352 1.00 0.00 O ATOM 0 H GLY A 22 7.381 6.192 1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.876 5.804 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.859 7.199 3.923 1.00 0.00 H new ATOM 308 N PHE A 23 6.190 4.566 3.315 1.00 0.00 N ATOM 309 CA PHE A 23 5.020 3.773 3.673 1.00 0.00 C ATOM 310 C PHE A 23 5.370 2.290 3.750 1.00 0.00 C ATOM 311 O PHE A 23 6.430 1.865 3.290 1.00 0.00 O ATOM 312 CB PHE A 23 3.899 3.991 2.654 1.00 0.00 C ATOM 313 CG PHE A 23 4.172 3.360 1.318 1.00 0.00 C ATOM 314 CD1 PHE A 23 5.058 3.946 0.429 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.543 2.182 0.953 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.311 3.368 -0.801 1.00 0.00 C ATOM 317 CE2 PHE A 23 3.791 1.598 -0.276 1.00 0.00 C ATOM 318 CZ PHE A 23 4.677 2.192 -1.153 1.00 0.00 C ATOM 0 H PHE A 23 6.502 4.446 2.351 1.00 0.00 H new ATOM 0 HA PHE A 23 4.678 4.099 4.655 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.970 3.586 3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.747 5.062 2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.557 4.865 0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.850 1.713 1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.003 3.835 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.293 0.680 -0.549 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.874 1.738 -2.113 1.00 0.00 H new ATOM 328 N THR A 24 4.471 1.506 4.338 1.00 0.00 N ATOM 329 CA THR A 24 4.685 0.071 4.478 1.00 0.00 C ATOM 330 C THR A 24 3.383 -0.700 4.286 1.00 0.00 C ATOM 331 O THR A 24 2.308 -0.108 4.189 1.00 0.00 O ATOM 332 CB THR A 24 5.276 -0.277 5.857 1.00 0.00 C ATOM 333 OG1 THR A 24 4.597 0.460 6.881 1.00 0.00 O ATOM 334 CG2 THR A 24 6.764 0.035 5.903 1.00 0.00 C ATOM 0 H THR A 24 3.588 1.841 4.725 1.00 0.00 H new ATOM 0 HA THR A 24 5.394 -0.220 3.703 1.00 0.00 H new ATOM 0 HB THR A 24 5.140 -1.345 6.027 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.977 0.232 7.755 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.159 -0.219 6.887 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.282 -0.549 5.142 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.919 1.097 5.713 1.00 0.00 H new ATOM 342 N VAL A 25 3.488 -2.024 4.233 1.00 0.00 N ATOM 343 CA VAL A 25 2.318 -2.876 4.055 1.00 0.00 C ATOM 344 C VAL A 25 2.402 -4.116 4.938 1.00 0.00 C ATOM 345 O VAL A 25 3.485 -4.510 5.372 1.00 0.00 O ATOM 346 CB VAL A 25 2.161 -3.314 2.587 1.00 0.00 C ATOM 347 CG1 VAL A 25 1.787 -2.128 1.713 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.439 -3.972 2.089 1.00 0.00 C ATOM 0 H VAL A 25 4.370 -2.530 4.311 1.00 0.00 H new ATOM 0 HA VAL A 25 1.449 -2.285 4.345 1.00 0.00 H new ATOM 0 HB VAL A 25 1.355 -4.046 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.680 -2.457 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.844 -1.705 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.568 -1.370 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.311 -4.276 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.265 -3.264 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.658 -4.849 2.699 1.00 0.00 H new ATOM 358 N SER A 26 1.252 -4.729 5.200 1.00 0.00 N ATOM 359 CA SER A 26 1.195 -5.923 6.034 1.00 0.00 C ATOM 360 C SER A 26 1.445 -7.178 5.204 1.00 0.00 C ATOM 361 O SER A 26 1.450 -8.292 5.727 1.00 0.00 O ATOM 362 CB SER A 26 -0.165 -6.021 6.729 1.00 0.00 C ATOM 363 OG SER A 26 -0.160 -7.036 7.718 1.00 0.00 O ATOM 0 H SER A 26 0.347 -4.418 4.846 1.00 0.00 H new ATOM 0 HA SER A 26 1.977 -5.846 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.413 -5.064 7.187 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.940 -6.231 5.991 1.00 0.00 H new ATOM 0 HG SER A 26 0.470 -7.741 7.460 1.00 0.00 H new ATOM 369 N GLY A 27 1.654 -6.989 3.904 1.00 0.00 N ATOM 370 CA GLY A 27 1.902 -8.113 3.021 1.00 0.00 C ATOM 371 C GLY A 27 1.063 -9.325 3.375 1.00 0.00 C ATOM 372 O GLY A 27 1.473 -10.159 4.182 1.00 0.00 O ATOM 0 H GLY A 27 1.656 -6.077 3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.692 -7.817 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.958 -8.380 3.066 1.00 0.00 H new ATOM 376 N ASP A 28 -0.116 -9.422 2.771 1.00 0.00 N ATOM 377 CA ASP A 28 -1.017 -10.540 3.027 1.00 0.00 C ATOM 378 C ASP A 28 -2.055 -10.667 1.916 1.00 0.00 C ATOM 379 O ASP A 28 -2.024 -9.922 0.936 1.00 0.00 O ATOM 380 CB ASP A 28 -1.715 -10.362 4.376 1.00 0.00 C ATOM 381 CG ASP A 28 -2.950 -9.488 4.278 1.00 0.00 C ATOM 382 OD1 ASP A 28 -2.906 -8.479 3.543 1.00 0.00 O ATOM 383 OD2 ASP A 28 -3.960 -9.814 4.936 1.00 0.00 O ATOM 0 H ASP A 28 -0.470 -8.740 2.101 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.424 -11.454 3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.995 -11.339 4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.017 -9.921 5.088 1.00 0.00 H new ATOM 388 N ARG A 29 -2.971 -11.617 2.075 1.00 0.00 N ATOM 389 CA ARG A 29 -4.017 -11.843 1.085 1.00 0.00 C ATOM 390 C ARG A 29 -4.461 -10.527 0.453 1.00 0.00 C ATOM 391 O ARG A 29 -4.693 -10.454 -0.754 1.00 0.00 O ATOM 392 CB ARG A 29 -5.216 -12.542 1.729 1.00 0.00 C ATOM 393 CG ARG A 29 -5.134 -14.059 1.681 1.00 0.00 C ATOM 394 CD ARG A 29 -6.033 -14.698 2.727 1.00 0.00 C ATOM 395 NE ARG A 29 -6.218 -16.128 2.491 1.00 0.00 N ATOM 396 CZ ARG A 29 -7.164 -16.853 3.077 1.00 0.00 C ATOM 397 NH1 ARG A 29 -8.007 -16.287 3.929 1.00 0.00 N ATOM 398 NH2 ARG A 29 -7.268 -18.149 2.810 1.00 0.00 N ATOM 0 H ARG A 29 -3.010 -12.242 2.880 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.609 -12.483 0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.296 -12.224 2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.127 -12.220 1.225 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.422 -14.409 0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.103 -14.374 1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.602 -14.547 3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.003 -14.202 2.723 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.586 -16.595 1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.931 -15.291 4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.732 -16.847 4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.621 -18.588 2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.995 -18.706 3.260 1.00 0.00 H new ATOM 412 N ILE A 30 -4.578 -9.491 1.276 1.00 0.00 N ATOM 413 CA ILE A 30 -4.994 -8.178 0.798 1.00 0.00 C ATOM 414 C ILE A 30 -4.008 -7.098 1.230 1.00 0.00 C ATOM 415 O ILE A 30 -4.326 -6.250 2.065 1.00 0.00 O ATOM 416 CB ILE A 30 -6.399 -7.811 1.310 1.00 0.00 C ATOM 417 CG1 ILE A 30 -7.401 -8.908 0.947 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.839 -6.473 0.736 1.00 0.00 C ATOM 419 CD1 ILE A 30 -7.876 -8.842 -0.488 1.00 0.00 C ATOM 0 H ILE A 30 -4.391 -9.535 2.278 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.016 -8.231 -0.290 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.362 -7.724 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.943 -9.881 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.263 -8.835 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.834 -6.227 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.136 -5.698 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.862 -6.534 -0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.584 -9.650 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.364 -7.884 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.023 -8.945 -1.159 1.00 0.00 H new ATOM 431 N VAL A 31 -2.810 -7.133 0.656 1.00 0.00 N ATOM 432 CA VAL A 31 -1.778 -6.155 0.980 1.00 0.00 C ATOM 433 C VAL A 31 -2.386 -4.784 1.250 1.00 0.00 C ATOM 434 O VAL A 31 -2.679 -4.028 0.322 1.00 0.00 O ATOM 435 CB VAL A 31 -0.745 -6.032 -0.157 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.432 -5.175 0.283 1.00 0.00 C ATOM 437 CG2 VAL A 31 -0.277 -7.409 -0.602 1.00 0.00 C ATOM 0 H VAL A 31 -2.530 -7.828 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.276 -6.510 1.880 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.221 -5.544 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.152 -5.099 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.078 -4.179 0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.911 -5.632 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.452 -7.303 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.183 -7.927 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.130 -7.985 -0.960 1.00 0.00 H new ATOM 447 N LEU A 32 -2.573 -4.467 2.527 1.00 0.00 N ATOM 448 CA LEU A 32 -3.146 -3.185 2.921 1.00 0.00 C ATOM 449 C LEU A 32 -2.090 -2.289 3.560 1.00 0.00 C ATOM 450 O LEU A 32 -1.199 -2.767 4.264 1.00 0.00 O ATOM 451 CB LEU A 32 -4.306 -3.400 3.895 1.00 0.00 C ATOM 452 CG LEU A 32 -5.674 -3.658 3.262 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.764 -3.644 4.323 1.00 0.00 C ATOM 454 CD2 LEU A 32 -5.966 -2.626 2.182 1.00 0.00 C ATOM 0 H LEU A 32 -2.336 -5.080 3.307 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.520 -2.691 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.061 -4.244 4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.384 -2.522 4.536 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.658 -4.645 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.730 -3.829 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.564 -4.421 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.780 -2.672 4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.943 -2.826 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.962 -1.629 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.202 -2.684 1.407 1.00 0.00 H new ATOM 466 N VAL A 33 -2.196 -0.988 3.313 1.00 0.00 N ATOM 467 CA VAL A 33 -1.252 -0.025 3.867 1.00 0.00 C ATOM 468 C VAL A 33 -1.218 -0.102 5.390 1.00 0.00 C ATOM 469 O VAL A 33 -2.167 0.301 6.062 1.00 0.00 O ATOM 470 CB VAL A 33 -1.604 1.414 3.445 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.653 2.409 4.092 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.576 1.545 1.929 1.00 0.00 C ATOM 0 H VAL A 33 -2.927 -0.576 2.732 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.270 -0.282 3.471 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.614 1.638 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.918 3.420 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.727 2.331 5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.369 2.190 3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.827 2.568 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.579 1.302 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.302 0.860 1.491 1.00 0.00 H new ATOM 482 N GLN A 34 -0.119 -0.622 5.926 1.00 0.00 N ATOM 483 CA GLN A 34 0.038 -0.752 7.370 1.00 0.00 C ATOM 484 C GLN A 34 0.169 0.618 8.029 1.00 0.00 C ATOM 485 O GLN A 34 -0.640 0.988 8.879 1.00 0.00 O ATOM 486 CB GLN A 34 1.263 -1.607 7.696 1.00 0.00 C ATOM 487 CG GLN A 34 1.344 -2.022 9.156 1.00 0.00 C ATOM 488 CD GLN A 34 0.127 -2.805 9.609 1.00 0.00 C ATOM 489 OE1 GLN A 34 -0.947 -2.240 9.819 1.00 0.00 O ATOM 490 NE2 GLN A 34 0.288 -4.115 9.761 1.00 0.00 N ATOM 0 H GLN A 34 0.675 -0.960 5.383 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.853 -1.241 7.764 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.248 -2.501 7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.164 -1.051 7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.238 -2.627 9.309 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.451 -1.133 9.777 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.196 -4.542 9.576 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.496 -4.694 10.063 1.00 0.00 H new ATOM 499 N SER A 35 1.193 1.365 7.630 1.00 0.00 N ATOM 500 CA SER A 35 1.432 2.692 8.185 1.00 0.00 C ATOM 501 C SER A 35 2.127 3.590 7.165 1.00 0.00 C ATOM 502 O SER A 35 2.623 3.119 6.142 1.00 0.00 O ATOM 503 CB SER A 35 2.279 2.592 9.455 1.00 0.00 C ATOM 504 OG SER A 35 1.486 2.224 10.569 1.00 0.00 O ATOM 0 H SER A 35 1.870 1.074 6.925 1.00 0.00 H new ATOM 0 HA SER A 35 0.467 3.134 8.435 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.071 1.858 9.310 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.763 3.549 9.649 1.00 0.00 H new ATOM 0 HG SER A 35 0.626 1.874 10.257 1.00 0.00 H new ATOM 510 N VAL A 36 2.160 4.887 7.454 1.00 0.00 N ATOM 511 CA VAL A 36 2.795 5.852 6.564 1.00 0.00 C ATOM 512 C VAL A 36 3.477 6.963 7.355 1.00 0.00 C ATOM 513 O VAL A 36 3.097 7.254 8.489 1.00 0.00 O ATOM 514 CB VAL A 36 1.774 6.479 5.596 1.00 0.00 C ATOM 515 CG1 VAL A 36 2.361 7.712 4.925 1.00 0.00 C ATOM 516 CG2 VAL A 36 1.328 5.459 4.559 1.00 0.00 C ATOM 0 H VAL A 36 1.755 5.294 8.297 1.00 0.00 H new ATOM 0 HA VAL A 36 3.543 5.307 5.989 1.00 0.00 H new ATOM 0 HB VAL A 36 0.899 6.788 6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.625 8.141 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.626 8.448 5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.253 7.431 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.607 5.919 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.192 5.117 3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.865 4.609 5.060 1.00 0.00 H new ATOM 526 N ARG A 37 4.485 7.580 6.748 1.00 0.00 N ATOM 527 CA ARG A 37 5.221 8.659 7.396 1.00 0.00 C ATOM 528 C ARG A 37 4.460 9.978 7.289 1.00 0.00 C ATOM 529 O ARG A 37 3.924 10.329 6.238 1.00 0.00 O ATOM 530 CB ARG A 37 6.609 8.807 6.769 1.00 0.00 C ATOM 531 CG ARG A 37 7.534 9.728 7.548 1.00 0.00 C ATOM 532 CD ARG A 37 8.105 9.037 8.776 1.00 0.00 C ATOM 533 NE ARG A 37 9.118 8.045 8.424 1.00 0.00 N ATOM 534 CZ ARG A 37 10.033 7.596 9.276 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.062 8.046 10.522 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.922 6.693 8.881 1.00 0.00 N ATOM 0 H ARG A 37 4.811 7.351 5.809 1.00 0.00 H new ATOM 0 HA ARG A 37 5.331 8.407 8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.071 7.823 6.692 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.501 9.188 5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.349 10.057 6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.988 10.621 7.853 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.543 9.782 9.441 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.299 8.552 9.327 1.00 0.00 H new ATOM 0 HE ARG A 37 9.123 7.677 7.473 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.380 8.739 10.830 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.766 7.699 11.173 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.903 6.344 7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.624 6.349 9.536 1.00 0.00 H new ATOM 550 N PRO A 38 4.411 10.725 8.401 1.00 0.00 N ATOM 551 CA PRO A 38 3.718 12.016 8.458 1.00 0.00 C ATOM 552 C PRO A 38 4.433 13.093 7.649 1.00 0.00 C ATOM 553 O PRO A 38 5.293 13.803 8.166 1.00 0.00 O ATOM 554 CB PRO A 38 3.739 12.364 9.948 1.00 0.00 C ATOM 555 CG PRO A 38 4.919 11.635 10.491 1.00 0.00 C ATOM 556 CD PRO A 38 5.027 10.368 9.690 1.00 0.00 C ATOM 0 HA PRO A 38 2.716 11.960 8.034 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.833 13.439 10.102 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.819 12.050 10.441 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.825 12.234 10.398 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.789 11.417 11.551 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.065 10.058 9.567 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.502 9.543 10.171 1.00 0.00 H new ATOM 564 N GLY A 39 4.070 13.208 6.375 1.00 0.00 N ATOM 565 CA GLY A 39 4.686 14.202 5.515 1.00 0.00 C ATOM 566 C GLY A 39 5.784 13.617 4.649 1.00 0.00 C ATOM 567 O GLY A 39 6.709 14.322 4.248 1.00 0.00 O ATOM 0 H GLY A 39 3.361 12.631 5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.924 14.649 4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.099 15.003 6.128 1.00 0.00 H new ATOM 571 N GLY A 40 5.683 12.323 4.360 1.00 0.00 N ATOM 572 CA GLY A 40 6.684 11.666 3.540 1.00 0.00 C ATOM 573 C GLY A 40 6.339 11.704 2.064 1.00 0.00 C ATOM 574 O GLY A 40 5.662 12.621 1.601 1.00 0.00 O ATOM 0 H GLY A 40 4.926 11.718 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.650 12.146 3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.788 10.629 3.859 1.00 0.00 H new ATOM 578 N ALA A 41 6.807 10.705 1.323 1.00 0.00 N ATOM 579 CA ALA A 41 6.544 10.628 -0.109 1.00 0.00 C ATOM 580 C ALA A 41 5.135 10.115 -0.381 1.00 0.00 C ATOM 581 O ALA A 41 4.438 10.622 -1.259 1.00 0.00 O ATOM 582 CB ALA A 41 7.573 9.735 -0.787 1.00 0.00 C ATOM 0 H ALA A 41 7.370 9.938 1.690 1.00 0.00 H new ATOM 0 HA ALA A 41 6.623 11.633 -0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.365 9.686 -1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.571 10.145 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.522 8.733 -0.361 1.00 0.00 H new ATOM 588 N ALA A 42 4.721 9.104 0.377 1.00 0.00 N ATOM 589 CA ALA A 42 3.394 8.523 0.218 1.00 0.00 C ATOM 590 C ALA A 42 2.306 9.539 0.551 1.00 0.00 C ATOM 591 O ALA A 42 1.306 9.646 -0.158 1.00 0.00 O ATOM 592 CB ALA A 42 3.250 7.287 1.093 1.00 0.00 C ATOM 0 H ALA A 42 5.286 8.671 1.107 1.00 0.00 H new ATOM 0 HA ALA A 42 3.275 8.231 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.254 6.864 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.998 6.548 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.395 7.562 2.138 1.00 0.00 H new ATOM 598 N MET A 43 2.509 10.282 1.634 1.00 0.00 N ATOM 599 CA MET A 43 1.545 11.290 2.060 1.00 0.00 C ATOM 600 C MET A 43 1.430 12.404 1.024 1.00 0.00 C ATOM 601 O MET A 43 0.345 12.678 0.509 1.00 0.00 O ATOM 602 CB MET A 43 1.952 11.876 3.413 1.00 0.00 C ATOM 603 CG MET A 43 1.536 11.017 4.597 1.00 0.00 C ATOM 604 SD MET A 43 -0.247 11.021 4.865 1.00 0.00 S ATOM 605 CE MET A 43 -0.348 11.831 6.460 1.00 0.00 C ATOM 0 H MET A 43 3.332 10.205 2.232 1.00 0.00 H new ATOM 0 HA MET A 43 0.572 10.808 2.159 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.034 12.007 3.432 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.509 12.866 3.519 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.873 9.993 4.434 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.036 11.378 5.496 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.392 11.908 6.763 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.202 11.249 7.199 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.084 12.829 6.389 1.00 0.00 H new ATOM 615 N LYS A 44 2.554 13.045 0.724 1.00 0.00 N ATOM 616 CA LYS A 44 2.580 14.129 -0.251 1.00 0.00 C ATOM 617 C LYS A 44 1.902 13.709 -1.551 1.00 0.00 C ATOM 618 O LYS A 44 1.474 14.551 -2.339 1.00 0.00 O ATOM 619 CB LYS A 44 4.023 14.556 -0.531 1.00 0.00 C ATOM 620 CG LYS A 44 4.593 15.497 0.516 1.00 0.00 C ATOM 621 CD LYS A 44 5.741 16.322 -0.042 1.00 0.00 C ATOM 622 CE LYS A 44 7.000 15.486 -0.207 1.00 0.00 C ATOM 623 NZ LYS A 44 8.224 16.332 -0.266 1.00 0.00 N ATOM 0 H LYS A 44 3.460 12.833 1.142 1.00 0.00 H new ATOM 0 HA LYS A 44 2.032 14.973 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.651 13.667 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.067 15.041 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.807 16.161 0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.941 14.921 1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.453 16.742 -1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.945 17.161 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.082 14.786 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.925 14.892 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.061 15.725 -0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.157 16.983 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.310 16.880 0.614 1.00 0.00 H new ATOM 637 N ALA A 45 1.806 12.401 -1.767 1.00 0.00 N ATOM 638 CA ALA A 45 1.176 11.870 -2.969 1.00 0.00 C ATOM 639 C ALA A 45 -0.318 11.652 -2.756 1.00 0.00 C ATOM 640 O ALA A 45 -1.107 11.729 -3.696 1.00 0.00 O ATOM 641 CB ALA A 45 1.847 10.569 -3.385 1.00 0.00 C ATOM 0 H ALA A 45 2.157 11.690 -1.125 1.00 0.00 H new ATOM 0 HA ALA A 45 1.299 12.602 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.367 10.183 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.902 10.752 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.753 9.838 -2.582 1.00 0.00 H new ATOM 647 N GLY A 46 -0.700 11.378 -1.512 1.00 0.00 N ATOM 648 CA GLY A 46 -2.099 11.153 -1.198 1.00 0.00 C ATOM 649 C GLY A 46 -2.381 9.716 -0.806 1.00 0.00 C ATOM 650 O GLY A 46 -3.370 9.128 -1.245 1.00 0.00 O ATOM 0 H GLY A 46 -0.066 11.308 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.396 11.814 -0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.709 11.417 -2.062 1.00 0.00 H new ATOM 654 N VAL A 47 -1.509 9.148 0.021 1.00 0.00 N ATOM 655 CA VAL A 47 -1.669 7.770 0.471 1.00 0.00 C ATOM 656 C VAL A 47 -1.728 7.693 1.993 1.00 0.00 C ATOM 657 O VAL A 47 -0.874 8.244 2.688 1.00 0.00 O ATOM 658 CB VAL A 47 -0.519 6.878 -0.032 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.770 5.424 0.336 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.344 7.033 -1.535 1.00 0.00 C ATOM 0 H VAL A 47 -0.685 9.620 0.393 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.609 7.408 0.054 1.00 0.00 H new ATOM 0 HB VAL A 47 0.403 7.196 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.053 4.809 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.842 5.330 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.702 5.089 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.473 6.396 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.265 6.742 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.114 8.072 -1.769 1.00 0.00 H new ATOM 670 N LYS A 48 -2.743 7.005 2.506 1.00 0.00 N ATOM 671 CA LYS A 48 -2.914 6.853 3.945 1.00 0.00 C ATOM 672 C LYS A 48 -3.350 5.433 4.295 1.00 0.00 C ATOM 673 O LYS A 48 -3.756 4.667 3.421 1.00 0.00 O ATOM 674 CB LYS A 48 -3.946 7.857 4.466 1.00 0.00 C ATOM 675 CG LYS A 48 -5.328 7.677 3.862 1.00 0.00 C ATOM 676 CD LYS A 48 -6.152 8.949 3.967 1.00 0.00 C ATOM 677 CE LYS A 48 -7.390 8.886 3.086 1.00 0.00 C ATOM 678 NZ LYS A 48 -7.093 9.285 1.682 1.00 0.00 N ATOM 0 H LYS A 48 -3.460 6.544 1.945 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.953 7.047 4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.017 7.763 5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.596 8.868 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.234 7.389 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.846 6.864 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.450 9.106 5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.541 9.804 3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.793 7.873 3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.160 9.541 3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.962 9.229 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.732 10.260 1.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.377 8.645 1.283 1.00 0.00 H new ATOM 692 N GLU A 49 -3.263 5.091 5.576 1.00 0.00 N ATOM 693 CA GLU A 49 -3.650 3.763 6.039 1.00 0.00 C ATOM 694 C GLU A 49 -5.077 3.432 5.611 1.00 0.00 C ATOM 695 O GLU A 49 -5.935 4.310 5.539 1.00 0.00 O ATOM 696 CB GLU A 49 -3.528 3.674 7.561 1.00 0.00 C ATOM 697 CG GLU A 49 -2.152 4.049 8.085 1.00 0.00 C ATOM 698 CD GLU A 49 -2.031 3.874 9.586 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.191 2.732 10.066 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.777 4.880 10.282 1.00 0.00 O ATOM 0 H GLU A 49 -2.928 5.714 6.311 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.976 3.037 5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.271 4.329 8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.763 2.658 7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.399 3.436 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.939 5.086 7.826 1.00 0.00 H new ATOM 707 N GLY A 50 -5.322 2.156 5.328 1.00 0.00 N ATOM 708 CA GLY A 50 -6.645 1.730 4.910 1.00 0.00 C ATOM 709 C GLY A 50 -6.749 1.550 3.409 1.00 0.00 C ATOM 710 O GLY A 50 -7.612 0.818 2.923 1.00 0.00 O ATOM 0 H GLY A 50 -4.628 1.410 5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.894 0.790 5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.380 2.466 5.236 1.00 0.00 H new ATOM 714 N ASP A 51 -5.870 2.219 2.672 1.00 0.00 N ATOM 715 CA ASP A 51 -5.867 2.130 1.216 1.00 0.00 C ATOM 716 C ASP A 51 -5.460 0.733 0.759 1.00 0.00 C ATOM 717 O ASP A 51 -4.647 0.069 1.404 1.00 0.00 O ATOM 718 CB ASP A 51 -4.917 3.171 0.622 1.00 0.00 C ATOM 719 CG ASP A 51 -5.426 4.588 0.802 1.00 0.00 C ATOM 720 OD1 ASP A 51 -5.639 4.999 1.962 1.00 0.00 O ATOM 721 OD2 ASP A 51 -5.613 5.285 -0.217 1.00 0.00 O ATOM 0 H ASP A 51 -5.150 2.829 3.059 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.879 2.329 0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.939 3.077 1.093 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.780 2.969 -0.440 1.00 0.00 H new ATOM 726 N ARG A 52 -6.030 0.292 -0.358 1.00 0.00 N ATOM 727 CA ARG A 52 -5.728 -1.027 -0.901 1.00 0.00 C ATOM 728 C ARG A 52 -5.066 -0.913 -2.270 1.00 0.00 C ATOM 729 O ARG A 52 -5.518 -0.154 -3.128 1.00 0.00 O ATOM 730 CB ARG A 52 -7.006 -1.862 -1.008 1.00 0.00 C ATOM 731 CG ARG A 52 -6.793 -3.219 -1.659 1.00 0.00 C ATOM 732 CD ARG A 52 -8.064 -4.054 -1.634 1.00 0.00 C ATOM 733 NE ARG A 52 -9.186 -3.362 -2.263 1.00 0.00 N ATOM 734 CZ ARG A 52 -10.455 -3.718 -2.096 1.00 0.00 C ATOM 735 NH1 ARG A 52 -10.762 -4.751 -1.325 1.00 0.00 N ATOM 736 NH2 ARG A 52 -11.420 -3.038 -2.702 1.00 0.00 N ATOM 0 H ARG A 52 -6.703 0.829 -0.904 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.034 -1.522 -0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.419 -2.008 -0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.747 -1.305 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.466 -3.082 -2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.996 -3.752 -1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.887 -4.999 -2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.319 -4.295 -0.602 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.984 -2.562 -2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.023 -5.276 -0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.737 -5.021 -1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.187 -2.242 -3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.394 -3.311 -2.574 1.00 0.00 H new ATOM 750 N ILE A 53 -3.993 -1.671 -2.468 1.00 0.00 N ATOM 751 CA ILE A 53 -3.269 -1.655 -3.733 1.00 0.00 C ATOM 752 C ILE A 53 -3.623 -2.870 -4.584 1.00 0.00 C ATOM 753 O ILE A 53 -3.324 -4.006 -4.217 1.00 0.00 O ATOM 754 CB ILE A 53 -1.745 -1.626 -3.509 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.363 -0.452 -2.605 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.016 -1.535 -4.841 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.069 -0.666 -1.852 1.00 0.00 C ATOM 0 H ILE A 53 -3.606 -2.304 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.569 -0.747 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.447 -2.551 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.276 0.450 -3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.166 -0.279 -1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.060 -1.515 -4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.268 -2.400 -5.454 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.316 -0.624 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.139 0.206 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.158 -1.549 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.746 -0.809 -2.562 1.00 0.00 H new ATOM 769 N ILE A 54 -4.261 -2.621 -5.723 1.00 0.00 N ATOM 770 CA ILE A 54 -4.653 -3.694 -6.629 1.00 0.00 C ATOM 771 C ILE A 54 -3.595 -3.921 -7.703 1.00 0.00 C ATOM 772 O ILE A 54 -3.220 -5.057 -7.992 1.00 0.00 O ATOM 773 CB ILE A 54 -6.002 -3.393 -7.308 1.00 0.00 C ATOM 774 CG1 ILE A 54 -7.036 -2.960 -6.266 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.492 -4.611 -8.075 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.433 -2.812 -6.828 1.00 0.00 C ATOM 0 H ILE A 54 -4.517 -1.686 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.753 -4.596 -6.025 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.862 -2.575 -8.015 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.054 -3.691 -5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.726 -2.010 -5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.446 -4.383 -8.549 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.762 -4.878 -8.839 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.620 -5.447 -7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.114 -2.503 -6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.430 -2.060 -7.617 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.763 -3.766 -7.238 1.00 0.00 H new ATOM 788 N LYS A 55 -3.115 -2.831 -8.292 1.00 0.00 N ATOM 789 CA LYS A 55 -2.097 -2.908 -9.334 1.00 0.00 C ATOM 790 C LYS A 55 -0.816 -2.207 -8.895 1.00 0.00 C ATOM 791 O LYS A 55 -0.854 -1.240 -8.135 1.00 0.00 O ATOM 792 CB LYS A 55 -2.616 -2.282 -10.630 1.00 0.00 C ATOM 793 CG LYS A 55 -1.949 -2.831 -11.880 1.00 0.00 C ATOM 794 CD LYS A 55 -2.561 -2.244 -13.141 1.00 0.00 C ATOM 795 CE LYS A 55 -3.779 -3.036 -13.590 1.00 0.00 C ATOM 796 NZ LYS A 55 -4.626 -2.260 -14.538 1.00 0.00 N ATOM 0 H LYS A 55 -3.415 -1.883 -8.065 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.872 -3.960 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.691 -2.448 -10.699 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.462 -1.204 -10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.883 -2.606 -11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.046 -3.917 -11.899 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.846 -1.208 -12.960 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.817 -2.235 -13.938 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.455 -3.961 -14.066 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.372 -3.316 -12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.446 -2.834 -14.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.956 -1.389 -14.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.068 -2.014 -15.381 1.00 0.00 H new ATOM 810 N VAL A 56 0.319 -2.700 -9.381 1.00 0.00 N ATOM 811 CA VAL A 56 1.613 -2.119 -9.041 1.00 0.00 C ATOM 812 C VAL A 56 2.545 -2.110 -10.247 1.00 0.00 C ATOM 813 O VAL A 56 2.918 -3.162 -10.763 1.00 0.00 O ATOM 814 CB VAL A 56 2.288 -2.888 -7.889 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.638 -2.272 -7.556 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.387 -2.911 -6.664 1.00 0.00 C ATOM 0 H VAL A 56 0.369 -3.500 -10.011 1.00 0.00 H new ATOM 0 HA VAL A 56 1.426 -1.093 -8.723 1.00 0.00 H new ATOM 0 HB VAL A 56 2.453 -3.917 -8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.100 -2.828 -6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.283 -2.312 -8.434 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.500 -1.234 -7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.880 -3.458 -5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.188 -1.890 -6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.446 -3.402 -6.913 1.00 0.00 H new ATOM 826 N ASN A 57 2.918 -0.914 -10.691 1.00 0.00 N ATOM 827 CA ASN A 57 3.807 -0.768 -11.837 1.00 0.00 C ATOM 828 C ASN A 57 3.268 -1.527 -13.045 1.00 0.00 C ATOM 829 O ASN A 57 4.031 -2.009 -13.881 1.00 0.00 O ATOM 830 CB ASN A 57 5.209 -1.271 -11.489 1.00 0.00 C ATOM 831 CG ASN A 57 6.288 -0.597 -12.315 1.00 0.00 C ATOM 832 OD1 ASN A 57 6.642 -1.067 -13.396 1.00 0.00 O ATOM 833 ND2 ASN A 57 6.815 0.511 -11.807 1.00 0.00 N ATOM 0 H ASN A 57 2.618 -0.032 -10.274 1.00 0.00 H new ATOM 0 HA ASN A 57 3.860 0.291 -12.090 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.403 -1.095 -10.431 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.255 -2.349 -11.647 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.545 1.009 -12.317 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.490 0.864 -10.907 1.00 0.00 H new ATOM 840 N GLY A 58 1.945 -1.629 -13.131 1.00 0.00 N ATOM 841 CA GLY A 58 1.325 -2.330 -14.240 1.00 0.00 C ATOM 842 C GLY A 58 1.085 -3.796 -13.938 1.00 0.00 C ATOM 843 O GLY A 58 0.286 -4.454 -14.605 1.00 0.00 O ATOM 0 H GLY A 58 1.292 -1.238 -12.452 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.376 -1.852 -14.483 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.960 -2.243 -15.121 1.00 0.00 H new ATOM 847 N THR A 59 1.781 -4.312 -12.929 1.00 0.00 N ATOM 848 CA THR A 59 1.643 -5.711 -12.542 1.00 0.00 C ATOM 849 C THR A 59 0.739 -5.857 -11.323 1.00 0.00 C ATOM 850 O THR A 59 0.904 -5.151 -10.328 1.00 0.00 O ATOM 851 CB THR A 59 3.011 -6.345 -12.231 1.00 0.00 C ATOM 852 OG1 THR A 59 3.866 -6.253 -13.376 1.00 0.00 O ATOM 853 CG2 THR A 59 2.852 -7.803 -11.826 1.00 0.00 C ATOM 0 H THR A 59 2.446 -3.782 -12.365 1.00 0.00 H new ATOM 0 HA THR A 59 1.194 -6.231 -13.389 1.00 0.00 H new ATOM 0 HB THR A 59 3.459 -5.800 -11.400 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.735 -6.657 -13.169 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.832 -8.230 -11.611 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.225 -7.867 -10.937 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.385 -8.358 -12.640 1.00 0.00 H new ATOM 861 N MET A 60 -0.217 -6.777 -11.408 1.00 0.00 N ATOM 862 CA MET A 60 -1.146 -7.016 -10.310 1.00 0.00 C ATOM 863 C MET A 60 -0.464 -7.775 -9.176 1.00 0.00 C ATOM 864 O MET A 60 0.156 -8.816 -9.397 1.00 0.00 O ATOM 865 CB MET A 60 -2.363 -7.800 -10.805 1.00 0.00 C ATOM 866 CG MET A 60 -2.034 -9.216 -11.248 1.00 0.00 C ATOM 867 SD MET A 60 -3.418 -10.025 -12.074 1.00 0.00 S ATOM 868 CE MET A 60 -4.785 -9.014 -11.511 1.00 0.00 C ATOM 0 H MET A 60 -0.368 -7.368 -12.225 1.00 0.00 H new ATOM 0 HA MET A 60 -1.476 -6.049 -9.929 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.107 -7.841 -10.009 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.816 -7.263 -11.638 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.178 -9.192 -11.922 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.740 -9.805 -10.379 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.726 -9.470 -11.820 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.758 -8.938 -10.424 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.704 -8.018 -11.946 1.00 0.00 H new ATOM 878 N VAL A 61 -0.583 -7.249 -7.961 1.00 0.00 N ATOM 879 CA VAL A 61 0.022 -7.878 -6.793 1.00 0.00 C ATOM 880 C VAL A 61 -1.034 -8.547 -5.921 1.00 0.00 C ATOM 881 O VAL A 61 -0.742 -9.013 -4.819 1.00 0.00 O ATOM 882 CB VAL A 61 0.799 -6.854 -5.944 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.965 -6.280 -6.734 1.00 0.00 C ATOM 884 CG2 VAL A 61 -0.128 -5.747 -5.465 1.00 0.00 C ATOM 0 H VAL A 61 -1.093 -6.389 -7.760 1.00 0.00 H new ATOM 0 HA VAL A 61 0.715 -8.633 -7.163 1.00 0.00 H new ATOM 0 HB VAL A 61 1.201 -7.364 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.502 -5.559 -6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.641 -7.085 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.589 -5.784 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.437 -5.032 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.561 -5.237 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.925 -6.177 -4.859 1.00 0.00 H new ATOM 894 N THR A 62 -2.265 -8.593 -6.422 1.00 0.00 N ATOM 895 CA THR A 62 -3.366 -9.206 -5.689 1.00 0.00 C ATOM 896 C THR A 62 -3.030 -10.637 -5.286 1.00 0.00 C ATOM 897 O THR A 62 -2.335 -11.348 -6.010 1.00 0.00 O ATOM 898 CB THR A 62 -4.662 -9.210 -6.522 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.489 -10.017 -7.692 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.049 -7.796 -6.928 1.00 0.00 C ATOM 0 H THR A 62 -2.524 -8.213 -7.332 1.00 0.00 H new ATOM 0 HA THR A 62 -3.521 -8.606 -4.792 1.00 0.00 H new ATOM 0 HB THR A 62 -5.461 -9.626 -5.908 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.317 -10.016 -8.215 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.967 -7.824 -7.515 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.208 -7.192 -6.035 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.250 -7.357 -7.525 1.00 0.00 H new ATOM 908 N ASN A 63 -3.529 -11.053 -4.127 1.00 0.00 N ATOM 909 CA ASN A 63 -3.281 -12.400 -3.628 1.00 0.00 C ATOM 910 C ASN A 63 -1.800 -12.754 -3.729 1.00 0.00 C ATOM 911 O ASN A 63 -1.440 -13.827 -4.213 1.00 0.00 O ATOM 912 CB ASN A 63 -4.114 -13.418 -4.409 1.00 0.00 C ATOM 913 CG ASN A 63 -5.512 -12.911 -4.709 1.00 0.00 C ATOM 914 OD1 ASN A 63 -5.840 -12.604 -5.855 1.00 0.00 O ATOM 915 ND2 ASN A 63 -6.343 -12.821 -3.677 1.00 0.00 N ATOM 0 H ASN A 63 -4.107 -10.477 -3.516 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.573 -12.430 -2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.608 -13.656 -5.345 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.181 -14.344 -3.838 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.296 -12.486 -3.817 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.028 -13.087 -2.744 1.00 0.00 H new ATOM 922 N SER A 64 -0.947 -11.845 -3.269 1.00 0.00 N ATOM 923 CA SER A 64 0.495 -12.059 -3.311 1.00 0.00 C ATOM 924 C SER A 64 1.124 -11.790 -1.947 1.00 0.00 C ATOM 925 O SER A 64 0.556 -11.077 -1.119 1.00 0.00 O ATOM 926 CB SER A 64 1.135 -11.156 -4.367 1.00 0.00 C ATOM 927 OG SER A 64 2.367 -11.693 -4.817 1.00 0.00 O ATOM 0 H SER A 64 -1.229 -10.953 -2.863 1.00 0.00 H new ATOM 0 HA SER A 64 0.675 -13.101 -3.576 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.455 -11.040 -5.211 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.298 -10.162 -3.950 1.00 0.00 H new ATOM 0 HG SER A 64 2.756 -11.099 -5.493 1.00 0.00 H new ATOM 933 N SER A 65 2.300 -12.367 -1.721 1.00 0.00 N ATOM 934 CA SER A 65 3.005 -12.194 -0.456 1.00 0.00 C ATOM 935 C SER A 65 3.693 -10.833 -0.400 1.00 0.00 C ATOM 936 O SER A 65 3.599 -10.038 -1.335 1.00 0.00 O ATOM 937 CB SER A 65 4.036 -13.308 -0.266 1.00 0.00 C ATOM 938 OG SER A 65 3.444 -14.457 0.315 1.00 0.00 O ATOM 0 H SER A 65 2.784 -12.958 -2.397 1.00 0.00 H new ATOM 0 HA SER A 65 2.273 -12.245 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.476 -13.569 -1.229 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.847 -12.952 0.369 1.00 0.00 H new ATOM 0 HG SER A 65 4.123 -15.155 0.424 1.00 0.00 H new ATOM 944 N HIS A 66 4.386 -10.573 0.704 1.00 0.00 N ATOM 945 CA HIS A 66 5.092 -9.309 0.884 1.00 0.00 C ATOM 946 C HIS A 66 6.289 -9.216 -0.058 1.00 0.00 C ATOM 947 O HIS A 66 6.284 -8.433 -1.009 1.00 0.00 O ATOM 948 CB HIS A 66 5.556 -9.161 2.333 1.00 0.00 C ATOM 949 CG HIS A 66 6.107 -7.805 2.650 1.00 0.00 C ATOM 950 ND1 HIS A 66 6.806 -7.528 3.806 1.00 0.00 N ATOM 951 CD2 HIS A 66 6.061 -6.645 1.953 1.00 0.00 C ATOM 952 CE1 HIS A 66 7.164 -6.256 3.807 1.00 0.00 C ATOM 953 NE2 HIS A 66 6.725 -5.698 2.694 1.00 0.00 N ATOM 0 H HIS A 66 4.474 -11.220 1.487 1.00 0.00 H new ATOM 0 HA HIS A 66 4.402 -8.499 0.647 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.717 -9.368 2.997 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.319 -9.912 2.540 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.590 -6.493 0.993 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.721 -5.757 4.586 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.857 -4.722 2.428 1.00 0.00 H new ATOM 962 N LEU A 67 7.312 -10.019 0.212 1.00 0.00 N ATOM 963 CA LEU A 67 8.516 -10.027 -0.611 1.00 0.00 C ATOM 964 C LEU A 67 8.174 -9.799 -2.079 1.00 0.00 C ATOM 965 O LEU A 67 8.657 -8.852 -2.698 1.00 0.00 O ATOM 966 CB LEU A 67 9.259 -11.355 -0.449 1.00 0.00 C ATOM 967 CG LEU A 67 10.768 -11.313 -0.693 1.00 0.00 C ATOM 968 CD1 LEU A 67 11.479 -10.645 0.474 1.00 0.00 C ATOM 969 CD2 LEU A 67 11.311 -12.717 -0.916 1.00 0.00 C ATOM 0 H LEU A 67 7.332 -10.673 0.994 1.00 0.00 H new ATOM 0 HA LEU A 67 9.160 -9.214 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.085 -11.725 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.820 -12.080 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 67 10.955 -10.725 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.552 -10.624 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.111 -9.625 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.284 -11.206 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.386 -12.668 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.112 -13.328 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.824 -13.162 -1.784 1.00 0.00 H new ATOM 981 N GLU A 68 7.336 -10.673 -2.629 1.00 0.00 N ATOM 982 CA GLU A 68 6.929 -10.565 -4.025 1.00 0.00 C ATOM 983 C GLU A 68 6.621 -9.116 -4.391 1.00 0.00 C ATOM 984 O GLU A 68 7.050 -8.623 -5.435 1.00 0.00 O ATOM 985 CB GLU A 68 5.702 -11.441 -4.291 1.00 0.00 C ATOM 986 CG GLU A 68 5.984 -12.930 -4.184 1.00 0.00 C ATOM 987 CD GLU A 68 6.941 -13.421 -5.253 1.00 0.00 C ATOM 988 OE1 GLU A 68 6.704 -13.124 -6.443 1.00 0.00 O ATOM 989 OE2 GLU A 68 7.927 -14.101 -4.900 1.00 0.00 O ATOM 0 H GLU A 68 6.926 -11.462 -2.130 1.00 0.00 H new ATOM 0 HA GLU A 68 7.756 -10.911 -4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.917 -11.177 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.319 -11.223 -5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.401 -13.147 -3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.046 -13.480 -4.261 1.00 0.00 H new ATOM 996 N VAL A 69 5.874 -8.438 -3.525 1.00 0.00 N ATOM 997 CA VAL A 69 5.509 -7.046 -3.756 1.00 0.00 C ATOM 998 C VAL A 69 6.697 -6.120 -3.523 1.00 0.00 C ATOM 999 O VAL A 69 6.935 -5.191 -4.295 1.00 0.00 O ATOM 1000 CB VAL A 69 4.346 -6.612 -2.843 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.800 -5.261 -3.280 1.00 0.00 C ATOM 1002 CG2 VAL A 69 3.249 -7.665 -2.842 1.00 0.00 C ATOM 0 H VAL A 69 5.510 -8.831 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 69 5.192 -6.970 -4.796 1.00 0.00 H new ATOM 0 HB VAL A 69 4.723 -6.512 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.979 -4.971 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.591 -4.513 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.438 -5.330 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.436 -7.342 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.872 -7.799 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.652 -8.610 -2.477 1.00 0.00 H new ATOM 1012 N VAL A 70 7.441 -6.379 -2.452 1.00 0.00 N ATOM 1013 CA VAL A 70 8.607 -5.570 -2.117 1.00 0.00 C ATOM 1014 C VAL A 70 9.506 -5.372 -3.332 1.00 0.00 C ATOM 1015 O VAL A 70 9.883 -4.247 -3.663 1.00 0.00 O ATOM 1016 CB VAL A 70 9.429 -6.213 -0.984 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.747 -5.477 -0.797 1.00 0.00 C ATOM 1018 CG2 VAL A 70 8.629 -6.229 0.310 1.00 0.00 C ATOM 0 H VAL A 70 7.257 -7.143 -1.802 1.00 0.00 H new ATOM 0 HA VAL A 70 8.235 -4.602 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 70 9.652 -7.244 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.314 -5.945 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.323 -5.522 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.549 -4.436 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.224 -6.687 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.374 -5.208 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.715 -6.804 0.165 1.00 0.00 H new ATOM 1028 N LYS A 71 9.846 -6.471 -3.996 1.00 0.00 N ATOM 1029 CA LYS A 71 10.700 -6.420 -5.176 1.00 0.00 C ATOM 1030 C LYS A 71 10.071 -5.557 -6.265 1.00 0.00 C ATOM 1031 O LYS A 71 10.761 -4.798 -6.947 1.00 0.00 O ATOM 1032 CB LYS A 71 10.951 -7.832 -5.712 1.00 0.00 C ATOM 1033 CG LYS A 71 11.575 -8.767 -4.690 1.00 0.00 C ATOM 1034 CD LYS A 71 11.480 -10.218 -5.132 1.00 0.00 C ATOM 1035 CE LYS A 71 12.624 -10.594 -6.061 1.00 0.00 C ATOM 1036 NZ LYS A 71 12.516 -12.002 -6.532 1.00 0.00 N ATOM 0 H LYS A 71 9.542 -7.410 -3.736 1.00 0.00 H new ATOM 0 HA LYS A 71 11.651 -5.974 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.006 -8.256 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.604 -7.771 -6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.621 -8.499 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.074 -8.644 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.492 -10.868 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.529 -10.384 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.630 -9.923 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.573 -10.456 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.314 -12.219 -7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.536 -12.644 -5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.622 -12.128 -7.049 1.00 0.00 H new ATOM 1050 N LEU A 72 8.757 -5.675 -6.423 1.00 0.00 N ATOM 1051 CA LEU A 72 8.034 -4.904 -7.428 1.00 0.00 C ATOM 1052 C LEU A 72 8.024 -3.421 -7.073 1.00 0.00 C ATOM 1053 O LEU A 72 7.935 -2.563 -7.952 1.00 0.00 O ATOM 1054 CB LEU A 72 6.599 -5.419 -7.559 1.00 0.00 C ATOM 1055 CG LEU A 72 6.440 -6.822 -8.145 1.00 0.00 C ATOM 1056 CD1 LEU A 72 5.092 -7.412 -7.759 1.00 0.00 C ATOM 1057 CD2 LEU A 72 6.597 -6.790 -9.658 1.00 0.00 C ATOM 0 H LEU A 72 8.170 -6.298 -5.867 1.00 0.00 H new ATOM 0 HA LEU A 72 8.546 -5.026 -8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.138 -5.405 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.039 -4.721 -8.182 1.00 0.00 H new ATOM 0 HG LEU A 72 7.223 -7.458 -7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.997 -8.411 -8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.019 -7.472 -6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.294 -6.776 -8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.481 -7.798 -10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.837 -6.139 -10.089 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.586 -6.411 -9.913 1.00 0.00 H new ATOM 1069 N ILE A 73 8.118 -3.126 -5.781 1.00 0.00 N ATOM 1070 CA ILE A 73 8.123 -1.746 -5.311 1.00 0.00 C ATOM 1071 C ILE A 73 9.486 -1.097 -5.528 1.00 0.00 C ATOM 1072 O ILE A 73 9.597 -0.069 -6.197 1.00 0.00 O ATOM 1073 CB ILE A 73 7.758 -1.659 -3.818 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.270 -1.957 -3.616 1.00 0.00 C ATOM 1075 CG2 ILE A 73 8.107 -0.285 -3.266 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.924 -2.377 -2.205 1.00 0.00 C ATOM 0 H ILE A 73 8.192 -3.824 -5.041 1.00 0.00 H new ATOM 0 HA ILE A 73 7.372 -1.212 -5.892 1.00 0.00 H new ATOM 0 HB ILE A 73 8.337 -2.406 -3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.692 -1.070 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.969 -2.746 -4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.843 -0.240 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.176 -0.108 -3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.552 0.478 -3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.854 -2.572 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.475 -3.282 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.194 -1.580 -1.512 1.00 0.00 H new ATOM 1088 N LYS A 74 10.522 -1.705 -4.961 1.00 0.00 N ATOM 1089 CA LYS A 74 11.879 -1.189 -5.094 1.00 0.00 C ATOM 1090 C LYS A 74 12.517 -1.665 -6.395 1.00 0.00 C ATOM 1091 O LYS A 74 13.518 -2.381 -6.381 1.00 0.00 O ATOM 1092 CB LYS A 74 12.734 -1.630 -3.903 1.00 0.00 C ATOM 1093 CG LYS A 74 12.577 -3.101 -3.555 1.00 0.00 C ATOM 1094 CD LYS A 74 13.844 -3.663 -2.931 1.00 0.00 C ATOM 1095 CE LYS A 74 13.949 -5.166 -3.143 1.00 0.00 C ATOM 1096 NZ LYS A 74 14.143 -5.512 -4.578 1.00 0.00 N ATOM 0 H LYS A 74 10.448 -2.557 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 74 11.827 -0.100 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.782 -1.427 -4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.469 -1.029 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.743 -3.226 -2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.332 -3.665 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.714 -3.171 -3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.854 -3.443 -1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.782 -5.558 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.045 -5.649 -2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.634 -6.393 -4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.773 -4.744 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.157 -5.642 -4.770 1.00 0.00 H new ATOM 1110 N SER A 75 11.931 -1.261 -7.518 1.00 0.00 N ATOM 1111 CA SER A 75 12.442 -1.648 -8.828 1.00 0.00 C ATOM 1112 C SER A 75 12.995 -0.438 -9.575 1.00 0.00 C ATOM 1113 O SER A 75 14.025 -0.524 -10.242 1.00 0.00 O ATOM 1114 CB SER A 75 11.337 -2.310 -9.654 1.00 0.00 C ATOM 1115 OG SER A 75 11.720 -2.433 -11.013 1.00 0.00 O ATOM 0 H SER A 75 11.103 -0.666 -7.547 1.00 0.00 H new ATOM 0 HA SER A 75 13.252 -2.362 -8.678 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.114 -3.296 -9.245 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.423 -1.721 -9.582 1.00 0.00 H new ATOM 0 HG SER A 75 10.998 -2.860 -11.519 1.00 0.00 H new ATOM 1121 N GLY A 76 12.301 0.690 -9.458 1.00 0.00 N ATOM 1122 CA GLY A 76 12.736 1.902 -10.127 1.00 0.00 C ATOM 1123 C GLY A 76 12.767 3.099 -9.196 1.00 0.00 C ATOM 1124 O GLY A 76 12.923 2.948 -7.985 1.00 0.00 O ATOM 0 H GLY A 76 11.445 0.786 -8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.730 1.745 -10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.068 2.112 -10.962 1.00 0.00 H new ATOM 1128 N ALA A 77 12.619 4.291 -9.764 1.00 0.00 N ATOM 1129 CA ALA A 77 12.630 5.518 -8.977 1.00 0.00 C ATOM 1130 C ALA A 77 11.299 5.724 -8.263 1.00 0.00 C ATOM 1131 O ALA A 77 11.220 6.457 -7.276 1.00 0.00 O ATOM 1132 CB ALA A 77 12.944 6.712 -9.867 1.00 0.00 C ATOM 0 H ALA A 77 12.490 4.433 -10.766 1.00 0.00 H new ATOM 0 HA ALA A 77 13.408 5.428 -8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.949 7.622 -9.267 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.923 6.575 -10.327 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.185 6.795 -10.645 1.00 0.00 H new ATOM 1138 N TYR A 78 10.256 5.074 -8.766 1.00 0.00 N ATOM 1139 CA TYR A 78 8.927 5.188 -8.177 1.00 0.00 C ATOM 1140 C TYR A 78 8.098 3.938 -8.456 1.00 0.00 C ATOM 1141 O TYR A 78 8.587 2.973 -9.043 1.00 0.00 O ATOM 1142 CB TYR A 78 8.209 6.423 -8.723 1.00 0.00 C ATOM 1143 CG TYR A 78 8.430 6.648 -10.202 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.991 5.720 -11.139 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.079 7.786 -10.663 1.00 0.00 C ATOM 1146 CE1 TYR A 78 8.192 5.920 -12.491 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.283 7.996 -12.013 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.837 7.060 -12.923 1.00 0.00 C ATOM 1149 OH TYR A 78 9.040 7.264 -14.269 1.00 0.00 O ATOM 0 H TYR A 78 10.305 4.462 -9.581 1.00 0.00 H new ATOM 0 HA TYR A 78 9.043 5.291 -7.098 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.140 6.324 -8.535 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.549 7.302 -8.176 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.484 4.827 -10.804 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.431 8.520 -9.953 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.846 5.188 -13.206 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.789 8.887 -12.354 1.00 0.00 H new ATOM 0 HH TYR A 78 9.507 8.115 -14.404 1.00 0.00 H new ATOM 1159 N VAL A 79 6.839 3.964 -8.031 1.00 0.00 N ATOM 1160 CA VAL A 79 5.939 2.835 -8.235 1.00 0.00 C ATOM 1161 C VAL A 79 4.488 3.296 -8.312 1.00 0.00 C ATOM 1162 O VAL A 79 3.964 3.890 -7.370 1.00 0.00 O ATOM 1163 CB VAL A 79 6.078 1.796 -7.107 1.00 0.00 C ATOM 1164 CG1 VAL A 79 5.828 2.441 -5.753 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.125 0.632 -7.337 1.00 0.00 C ATOM 0 H VAL A 79 6.419 4.755 -7.543 1.00 0.00 H new ATOM 0 HA VAL A 79 6.220 2.372 -9.181 1.00 0.00 H new ATOM 0 HB VAL A 79 7.097 1.409 -7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.931 1.691 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.553 3.238 -5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.821 2.856 -5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.236 -0.094 -6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.099 1.000 -7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.357 0.155 -8.289 1.00 0.00 H new ATOM 1175 N ALA A 80 3.843 3.017 -9.440 1.00 0.00 N ATOM 1176 CA ALA A 80 2.451 3.400 -9.639 1.00 0.00 C ATOM 1177 C ALA A 80 1.506 2.397 -8.985 1.00 0.00 C ATOM 1178 O ALA A 80 1.526 1.209 -9.307 1.00 0.00 O ATOM 1179 CB ALA A 80 2.145 3.525 -11.124 1.00 0.00 C ATOM 0 H ALA A 80 4.263 2.527 -10.230 1.00 0.00 H new ATOM 0 HA ALA A 80 2.296 4.369 -9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.102 3.812 -11.258 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.790 4.285 -11.566 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.324 2.568 -11.614 1.00 0.00 H new ATOM 1185 N LEU A 81 0.681 2.883 -8.064 1.00 0.00 N ATOM 1186 CA LEU A 81 -0.271 2.028 -7.363 1.00 0.00 C ATOM 1187 C LEU A 81 -1.705 2.396 -7.729 1.00 0.00 C ATOM 1188 O LEU A 81 -1.977 3.511 -8.177 1.00 0.00 O ATOM 1189 CB LEU A 81 -0.073 2.143 -5.851 1.00 0.00 C ATOM 1190 CG LEU A 81 1.357 1.952 -5.345 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.435 2.224 -3.850 1.00 0.00 C ATOM 1192 CD2 LEU A 81 1.851 0.548 -5.659 1.00 0.00 C ATOM 0 H LEU A 81 0.652 3.864 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.090 0.998 -7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.421 3.126 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.711 1.405 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 81 2.002 2.666 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.460 2.083 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.123 3.249 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.778 1.535 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.870 0.430 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.204 -0.182 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.833 0.389 -6.737 1.00 0.00 H new ATOM 1204 N THR A 82 -2.622 1.453 -7.534 1.00 0.00 N ATOM 1205 CA THR A 82 -4.028 1.678 -7.842 1.00 0.00 C ATOM 1206 C THR A 82 -4.893 1.543 -6.594 1.00 0.00 C ATOM 1207 O THR A 82 -5.121 0.438 -6.101 1.00 0.00 O ATOM 1208 CB THR A 82 -4.533 0.692 -8.912 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.776 0.846 -10.118 1.00 0.00 O ATOM 1210 CG2 THR A 82 -6.009 0.918 -9.203 1.00 0.00 C ATOM 0 H THR A 82 -2.415 0.525 -7.164 1.00 0.00 H new ATOM 0 HA THR A 82 -4.108 2.694 -8.228 1.00 0.00 H new ATOM 0 HB THR A 82 -4.404 -0.321 -8.529 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.103 0.214 -10.792 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.343 0.210 -9.962 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.586 0.771 -8.290 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.157 1.935 -9.566 1.00 0.00 H new ATOM 1218 N LEU A 83 -5.373 2.674 -6.088 1.00 0.00 N ATOM 1219 CA LEU A 83 -6.215 2.682 -4.896 1.00 0.00 C ATOM 1220 C LEU A 83 -7.690 2.779 -5.272 1.00 0.00 C ATOM 1221 O LEU A 83 -8.122 3.756 -5.886 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.830 3.848 -3.984 1.00 0.00 C ATOM 1223 CG LEU A 83 -4.349 4.226 -3.966 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -4.008 4.989 -2.695 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.480 2.983 -4.093 1.00 0.00 C ATOM 0 H LEU A 83 -5.194 3.597 -6.484 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.057 1.745 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.404 4.724 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.134 3.603 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.149 4.874 -4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.950 5.250 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.606 5.899 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.224 4.366 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.429 3.271 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.684 2.310 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.704 2.477 -5.032 1.00 0.00 H new ATOM 1237 N LEU A 84 -8.459 1.763 -4.899 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.887 1.735 -5.195 1.00 0.00 C ATOM 1239 C LEU A 84 -10.706 2.087 -3.957 1.00 0.00 C ATOM 1240 O LEU A 84 -10.550 1.474 -2.902 1.00 0.00 O ATOM 1241 CB LEU A 84 -10.293 0.354 -5.713 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.774 -0.004 -5.579 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -12.638 1.016 -6.304 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -12.034 -1.404 -6.115 1.00 0.00 C ATOM 0 H LEU A 84 -8.118 0.947 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 84 -10.089 2.479 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.017 0.287 -6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.709 -0.397 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 84 -12.038 0.014 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.688 0.745 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.473 2.004 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.373 1.032 -7.361 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.093 -1.642 -6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.753 -1.449 -7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.443 -2.125 -5.551 1.00 0.00 H new