USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 408 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 8 GLN : amide:sc= -0.691 X(o=-3.7,f=-3.9!) USER MOD Set 1.2: A 14 GLN : amide:sc= -2.99! K(o=-3.7!,f=-0.72) USER MOD Single : A 1 GLY N :NH3+ -113:sc=-0.000405 (180deg=-2.32!) USER MOD Single : A 6 SER OG : rot -26:sc= 0.273 USER MOD Single : A 13 SER OG : rot 180:sc= 0.345 USER MOD Single : A 18 THR OG1 : rot -84:sc= 1.27 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.7!) USER MOD Single : A 24 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.66) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 27 MET CE :methyl -154:sc= -0.226 (180deg=-0.846) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 46:sc= 0.433 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -14.1! C(o=-14!,f=-2.7!) USER MOD Single : A 48 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.306 15.744 7.360 1.00 0.00 N ATOM 2 CA GLY A 1 -6.946 14.447 7.005 1.00 0.00 C ATOM 3 C GLY A 1 -6.197 13.257 7.569 1.00 0.00 C ATOM 4 O GLY A 1 -5.058 13.387 8.019 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.930 16.275 8.001 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.397 15.565 7.832 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.144 16.299 6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.970 14.437 7.377 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.000 14.357 5.920 1.00 0.00 H new ATOM 10 N ARG A 2 -6.838 12.092 7.545 1.00 0.00 N ATOM 11 CA ARG A 2 -6.226 10.873 8.059 1.00 0.00 C ATOM 12 C ARG A 2 -6.651 9.660 7.237 1.00 0.00 C ATOM 13 O ARG A 2 -6.641 8.531 7.729 1.00 0.00 O ATOM 14 CB ARG A 2 -6.607 10.672 9.527 1.00 0.00 C ATOM 15 CG ARG A 2 -8.104 10.539 9.757 1.00 0.00 C ATOM 16 CD ARG A 2 -8.457 10.732 11.222 1.00 0.00 C ATOM 17 NE ARG A 2 -8.162 12.086 11.681 1.00 0.00 N ATOM 18 CZ ARG A 2 -8.298 12.485 12.941 1.00 0.00 C ATOM 19 NH1 ARG A 2 -8.725 11.638 13.867 1.00 0.00 N ATOM 20 NH2 ARG A 2 -8.007 13.735 13.276 1.00 0.00 N ATOM 0 H ARG A 2 -7.780 11.967 7.175 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.144 10.976 7.981 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.110 9.778 9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.232 11.514 10.109 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.634 11.276 9.153 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.439 9.556 9.427 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.516 10.521 11.371 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.901 10.015 11.826 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.832 12.765 10.995 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.950 10.676 13.613 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.828 11.948 14.833 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.679 14.390 12.566 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.111 14.041 14.243 1.00 0.00 H new ATOM 34 N ARG A 3 -7.024 9.898 5.983 1.00 0.00 N ATOM 35 CA ARG A 3 -7.450 8.820 5.097 1.00 0.00 C ATOM 36 C ARG A 3 -6.279 7.903 4.757 1.00 0.00 C ATOM 37 O ARG A 3 -5.999 6.949 5.483 1.00 0.00 O ATOM 38 CB ARG A 3 -8.069 9.382 3.812 1.00 0.00 C ATOM 39 CG ARG A 3 -9.483 9.912 3.991 1.00 0.00 C ATOM 40 CD ARG A 3 -9.505 11.182 4.826 1.00 0.00 C ATOM 41 NE ARG A 3 -10.848 11.746 4.931 1.00 0.00 N ATOM 42 CZ ARG A 3 -11.121 12.891 5.551 1.00 0.00 C ATOM 43 NH1 ARG A 3 -10.147 13.590 6.117 1.00 0.00 N ATOM 44 NH2 ARG A 3 -12.369 13.336 5.603 1.00 0.00 N ATOM 0 H ARG A 3 -7.040 10.825 5.558 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.207 8.237 5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.435 10.185 3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.078 8.600 3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.924 10.111 3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.099 9.151 4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.124 10.966 5.824 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.836 11.919 4.382 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.620 11.233 4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.186 13.250 6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.359 14.468 6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.120 12.800 5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -12.578 14.214 6.078 1.00 0.00 H new ATOM 58 N ARG A 4 -5.594 8.201 3.655 1.00 0.00 N ATOM 59 CA ARG A 4 -4.454 7.399 3.227 1.00 0.00 C ATOM 60 C ARG A 4 -3.198 8.252 3.111 1.00 0.00 C ATOM 61 O ARG A 4 -2.107 7.736 2.870 1.00 0.00 O ATOM 62 CB ARG A 4 -4.749 6.716 1.890 1.00 0.00 C ATOM 63 CG ARG A 4 -5.957 5.789 1.920 1.00 0.00 C ATOM 64 CD ARG A 4 -5.918 4.839 3.109 1.00 0.00 C ATOM 65 NE ARG A 4 -4.590 4.261 3.320 1.00 0.00 N ATOM 66 CZ ARG A 4 -4.384 2.985 3.635 1.00 0.00 C ATOM 67 NH1 ARG A 4 -5.410 2.152 3.750 1.00 0.00 N ATOM 68 NH2 ARG A 4 -3.150 2.540 3.834 1.00 0.00 N ATOM 0 H ARG A 4 -5.809 8.990 3.045 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.281 6.634 3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.910 7.481 1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.873 6.144 1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.869 6.384 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.994 5.212 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.225 5.374 4.008 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.639 4.037 2.953 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.778 4.870 3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.360 2.489 3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.249 1.174 3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.358 3.176 3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.993 1.561 4.075 1.00 0.00 H new ATOM 82 N ARG A 5 -3.356 9.560 3.282 1.00 0.00 N ATOM 83 CA ARG A 5 -2.227 10.480 3.204 1.00 0.00 C ATOM 84 C ARG A 5 -1.532 10.587 4.557 1.00 0.00 C ATOM 85 O ARG A 5 -0.983 11.632 4.908 1.00 0.00 O ATOM 86 CB ARG A 5 -2.691 11.858 2.729 1.00 0.00 C ATOM 87 CG ARG A 5 -3.889 12.401 3.490 1.00 0.00 C ATOM 88 CD ARG A 5 -3.468 13.267 4.667 1.00 0.00 C ATOM 89 NE ARG A 5 -2.654 14.405 4.247 1.00 0.00 N ATOM 90 CZ ARG A 5 -2.842 15.649 4.678 1.00 0.00 C ATOM 91 NH1 ARG A 5 -3.817 15.919 5.536 1.00 0.00 N ATOM 92 NH2 ARG A 5 -2.056 16.627 4.249 1.00 0.00 N ATOM 0 H ARG A 5 -4.253 10.006 3.475 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.513 10.089 2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.864 12.561 2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -2.941 11.801 1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.514 12.985 2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.498 11.571 3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -4.355 13.628 5.187 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.906 12.663 5.379 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.897 14.236 3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.426 15.171 5.868 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.958 16.875 5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -1.306 16.426 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.201 17.581 4.580 1.00 0.00 H new ATOM 106 N SER A 6 -1.551 9.489 5.305 1.00 0.00 N ATOM 107 CA SER A 6 -0.926 9.445 6.620 1.00 0.00 C ATOM 108 C SER A 6 -0.201 8.120 6.820 1.00 0.00 C ATOM 109 O SER A 6 0.520 7.932 7.801 1.00 0.00 O ATOM 110 CB SER A 6 -1.972 9.648 7.719 1.00 0.00 C ATOM 111 OG SER A 6 -1.367 9.671 9.001 1.00 0.00 O ATOM 0 H SER A 6 -1.994 8.615 5.021 1.00 0.00 H new ATOM 0 HA SER A 6 -0.198 10.254 6.681 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.506 10.583 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.710 8.847 7.676 1.00 0.00 H new ATOM 0 HG SER A 6 -0.532 9.158 8.978 1.00 0.00 H new ATOM 117 N VAL A 7 -0.401 7.205 5.879 1.00 0.00 N ATOM 118 CA VAL A 7 0.244 5.899 5.914 1.00 0.00 C ATOM 119 C VAL A 7 0.553 5.418 4.502 1.00 0.00 C ATOM 120 O VAL A 7 1.599 4.827 4.241 1.00 0.00 O ATOM 121 CB VAL A 7 -0.623 4.846 6.607 1.00 0.00 C ATOM 122 CG1 VAL A 7 -1.996 4.813 5.973 1.00 0.00 C ATOM 123 CG2 VAL A 7 0.037 3.491 6.497 1.00 0.00 C ATOM 0 H VAL A 7 -1.012 7.347 5.074 1.00 0.00 H new ATOM 0 HA VAL A 7 1.166 6.022 6.483 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.730 5.103 7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.609 4.061 6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.467 5.791 6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.903 4.563 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.583 2.743 6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.154 3.228 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.016 3.524 6.974 1.00 0.00 H new ATOM 133 N GLN A 8 -0.385 5.671 3.603 1.00 0.00 N ATOM 134 CA GLN A 8 -0.259 5.276 2.209 1.00 0.00 C ATOM 135 C GLN A 8 0.168 6.464 1.367 1.00 0.00 C ATOM 136 O GLN A 8 -0.652 7.099 0.702 1.00 0.00 O ATOM 137 CB GLN A 8 -1.600 4.757 1.723 1.00 0.00 C ATOM 138 CG GLN A 8 -1.559 4.139 0.335 1.00 0.00 C ATOM 139 CD GLN A 8 -0.654 2.925 0.265 1.00 0.00 C ATOM 140 OE1 GLN A 8 0.538 3.040 -0.019 1.00 0.00 O ATOM 141 NE2 GLN A 8 -1.218 1.750 0.526 1.00 0.00 N ATOM 0 H GLN A 8 -1.256 6.156 3.819 1.00 0.00 H new ATOM 0 HA GLN A 8 0.496 4.495 2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.968 4.013 2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.317 5.578 1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.568 3.853 0.038 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.216 4.885 -0.381 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.210 1.701 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.659 0.898 0.495 1.00 0.00 H new ATOM 150 N TRP A 9 1.454 6.762 1.397 1.00 0.00 N ATOM 151 CA TRP A 9 1.974 7.907 0.673 1.00 0.00 C ATOM 152 C TRP A 9 3.395 7.711 0.124 1.00 0.00 C ATOM 153 O TRP A 9 3.597 7.047 -0.893 1.00 0.00 O ATOM 154 CB TRP A 9 1.924 9.126 1.591 1.00 0.00 C ATOM 155 CG TRP A 9 2.080 8.804 3.052 1.00 0.00 C ATOM 156 CD1 TRP A 9 1.456 9.439 4.067 1.00 0.00 C ATOM 157 CD2 TRP A 9 2.879 7.778 3.669 1.00 0.00 C ATOM 158 NE1 TRP A 9 1.825 8.913 5.266 1.00 0.00 N ATOM 159 CE2 TRP A 9 2.693 7.894 5.056 1.00 0.00 C ATOM 160 CE3 TRP A 9 3.730 6.782 3.202 1.00 0.00 C ATOM 161 CZ2 TRP A 9 3.324 7.064 5.968 1.00 0.00 C ATOM 162 CZ3 TRP A 9 4.340 5.956 4.108 1.00 0.00 C ATOM 163 CH2 TRP A 9 4.140 6.097 5.478 1.00 0.00 C ATOM 0 H TRP A 9 2.155 6.230 1.913 1.00 0.00 H new ATOM 0 HA TRP A 9 1.343 8.047 -0.205 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.711 9.821 1.297 1.00 0.00 H new ATOM 0 HB3 TRP A 9 0.974 9.640 1.443 1.00 0.00 H new ATOM 0 HD1 TRP A 9 0.758 10.254 3.944 1.00 0.00 H new ATOM 0 HE1 TRP A 9 1.500 9.234 6.178 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.907 6.662 2.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 3.172 7.182 7.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 4.994 5.174 3.750 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.641 5.427 6.161 1.00 0.00 H new ATOM 174 N CYS A 10 4.367 8.304 0.817 1.00 0.00 N ATOM 175 CA CYS A 10 5.769 8.272 0.410 1.00 0.00 C ATOM 176 C CYS A 10 6.536 7.075 0.962 1.00 0.00 C ATOM 177 O CYS A 10 6.871 6.140 0.234 1.00 0.00 O ATOM 178 CB CYS A 10 6.447 9.549 0.900 1.00 0.00 C ATOM 179 SG CYS A 10 8.260 9.556 0.709 1.00 0.00 S ATOM 0 H CYS A 10 4.202 8.822 1.680 1.00 0.00 H new ATOM 0 HA CYS A 10 5.784 8.189 -0.677 1.00 0.00 H new ATOM 0 HB2 CYS A 10 6.033 10.398 0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.204 9.695 1.952 1.00 0.00 H new ATOM 184 N ALA A 11 6.811 7.133 2.260 1.00 0.00 N ATOM 185 CA ALA A 11 7.582 6.109 2.959 1.00 0.00 C ATOM 186 C ALA A 11 7.184 4.680 2.578 1.00 0.00 C ATOM 187 O ALA A 11 7.990 3.759 2.704 1.00 0.00 O ATOM 188 CB ALA A 11 7.442 6.323 4.459 1.00 0.00 C ATOM 0 H ALA A 11 6.504 7.897 2.862 1.00 0.00 H new ATOM 0 HA ALA A 11 8.623 6.217 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.015 5.563 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.819 7.311 4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.392 6.249 4.741 1.00 0.00 H new ATOM 194 N VAL A 12 5.953 4.488 2.112 1.00 0.00 N ATOM 195 CA VAL A 12 5.487 3.154 1.736 1.00 0.00 C ATOM 196 C VAL A 12 4.554 3.210 0.529 1.00 0.00 C ATOM 197 O VAL A 12 4.090 4.280 0.135 1.00 0.00 O ATOM 198 CB VAL A 12 4.747 2.461 2.902 1.00 0.00 C ATOM 199 CG1 VAL A 12 4.600 0.973 2.636 1.00 0.00 C ATOM 200 CG2 VAL A 12 5.464 2.688 4.222 1.00 0.00 C ATOM 0 H VAL A 12 5.265 5.230 1.986 1.00 0.00 H new ATOM 0 HA VAL A 12 6.376 2.577 1.481 1.00 0.00 H new ATOM 0 HB VAL A 12 3.754 2.905 2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.076 0.504 3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.031 0.822 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.587 0.523 2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.919 2.188 5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.474 2.282 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.514 3.757 4.430 1.00 0.00 H new ATOM 210 N SER A 13 4.288 2.042 -0.052 1.00 0.00 N ATOM 211 CA SER A 13 3.412 1.936 -1.211 1.00 0.00 C ATOM 212 C SER A 13 2.343 0.871 -0.979 1.00 0.00 C ATOM 213 O SER A 13 2.027 0.540 0.163 1.00 0.00 O ATOM 214 CB SER A 13 4.238 1.602 -2.454 1.00 0.00 C ATOM 215 OG SER A 13 3.511 1.867 -3.641 1.00 0.00 O ATOM 0 H SER A 13 4.671 1.151 0.266 1.00 0.00 H new ATOM 0 HA SER A 13 2.912 2.892 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.158 2.187 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.528 0.552 -2.429 1.00 0.00 H new ATOM 0 HG SER A 13 4.064 1.646 -4.419 1.00 0.00 H new ATOM 221 N GLN A 14 1.790 0.338 -2.062 1.00 0.00 N ATOM 222 CA GLN A 14 0.745 -0.677 -1.963 1.00 0.00 C ATOM 223 C GLN A 14 1.308 -2.058 -1.624 1.00 0.00 C ATOM 224 O GLN A 14 0.870 -2.683 -0.659 1.00 0.00 O ATOM 225 CB GLN A 14 -0.058 -0.749 -3.265 1.00 0.00 C ATOM 226 CG GLN A 14 -1.302 -1.602 -3.144 1.00 0.00 C ATOM 227 CD GLN A 14 -2.232 -1.081 -2.071 1.00 0.00 C ATOM 228 OE1 GLN A 14 -3.027 -1.824 -1.495 1.00 0.00 O ATOM 229 NE2 GLN A 14 -2.116 0.212 -1.789 1.00 0.00 N ATOM 0 H GLN A 14 2.046 0.590 -3.017 1.00 0.00 H new ATOM 0 HA GLN A 14 0.089 -0.378 -1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.343 0.259 -3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.576 -1.151 -4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.824 -1.622 -4.100 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.019 -2.629 -2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.442 0.786 -2.295 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.701 0.631 -1.066 1.00 0.00 H new ATOM 238 N PRO A 15 2.287 -2.557 -2.402 1.00 0.00 N ATOM 239 CA PRO A 15 2.878 -3.878 -2.185 1.00 0.00 C ATOM 240 C PRO A 15 3.871 -3.891 -1.029 1.00 0.00 C ATOM 241 O PRO A 15 4.287 -4.954 -0.568 1.00 0.00 O ATOM 242 CB PRO A 15 3.589 -4.173 -3.520 1.00 0.00 C ATOM 243 CG PRO A 15 3.183 -3.060 -4.436 1.00 0.00 C ATOM 244 CD PRO A 15 2.914 -1.896 -3.546 1.00 0.00 C ATOM 0 HA PRO A 15 2.128 -4.621 -1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.671 -4.202 -3.392 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.289 -5.141 -3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.972 -2.833 -5.153 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.297 -3.328 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.827 -1.370 -3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.254 -1.165 -4.012 1.00 0.00 H new ATOM 252 N GLU A 16 4.248 -2.705 -0.566 1.00 0.00 N ATOM 253 CA GLU A 16 5.189 -2.584 0.543 1.00 0.00 C ATOM 254 C GLU A 16 4.450 -2.502 1.877 1.00 0.00 C ATOM 255 O GLU A 16 4.885 -3.078 2.874 1.00 0.00 O ATOM 256 CB GLU A 16 6.078 -1.351 0.358 1.00 0.00 C ATOM 257 CG GLU A 16 7.164 -1.222 1.414 1.00 0.00 C ATOM 258 CD GLU A 16 8.137 -0.098 1.118 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.091 -0.328 0.345 1.00 0.00 O ATOM 260 OE2 GLU A 16 7.947 1.012 1.659 1.00 0.00 O ATOM 0 H GLU A 16 3.918 -1.815 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 16 5.818 -3.474 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.543 -1.393 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.455 -0.457 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.701 -1.050 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.711 -2.162 1.483 1.00 0.00 H new ATOM 267 N ALA A 17 3.332 -1.782 1.885 1.00 0.00 N ATOM 268 CA ALA A 17 2.527 -1.629 3.092 1.00 0.00 C ATOM 269 C ALA A 17 1.783 -2.915 3.411 1.00 0.00 C ATOM 270 O ALA A 17 1.926 -3.472 4.499 1.00 0.00 O ATOM 271 CB ALA A 17 1.541 -0.481 2.935 1.00 0.00 C ATOM 0 H ALA A 17 2.963 -1.295 1.068 1.00 0.00 H new ATOM 0 HA ALA A 17 3.200 -1.403 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.950 -0.382 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.087 0.445 2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.879 -0.682 2.092 1.00 0.00 H new ATOM 277 N THR A 18 0.985 -3.379 2.453 1.00 0.00 N ATOM 278 CA THR A 18 0.216 -4.601 2.629 1.00 0.00 C ATOM 279 C THR A 18 1.079 -5.718 3.168 1.00 0.00 C ATOM 280 O THR A 18 0.742 -6.318 4.173 1.00 0.00 O ATOM 281 CB THR A 18 -0.421 -5.093 1.325 1.00 0.00 C ATOM 282 OG1 THR A 18 0.547 -5.095 0.270 1.00 0.00 O ATOM 283 CG2 THR A 18 -1.612 -4.237 0.938 1.00 0.00 C ATOM 0 H THR A 18 0.856 -2.925 1.549 1.00 0.00 H new ATOM 0 HA THR A 18 -0.572 -4.347 3.338 1.00 0.00 H new ATOM 0 HB THR A 18 -0.774 -6.111 1.487 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.601 -4.200 -0.126 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.042 -4.611 0.009 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.362 -4.279 1.728 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.289 -3.205 0.799 1.00 0.00 H new ATOM 291 N LYS A 19 2.178 -6.013 2.480 1.00 0.00 N ATOM 292 CA LYS A 19 3.082 -7.065 2.914 1.00 0.00 C ATOM 293 C LYS A 19 3.428 -6.902 4.383 1.00 0.00 C ATOM 294 O LYS A 19 3.098 -7.745 5.202 1.00 0.00 O ATOM 295 CB LYS A 19 4.361 -7.060 2.081 1.00 0.00 C ATOM 296 CG LYS A 19 4.926 -8.450 1.860 1.00 0.00 C ATOM 297 CD LYS A 19 3.974 -9.291 1.032 1.00 0.00 C ATOM 298 CE LYS A 19 4.165 -9.038 -0.451 1.00 0.00 C ATOM 299 NZ LYS A 19 3.248 -9.866 -1.282 1.00 0.00 N ATOM 0 H LYS A 19 2.461 -5.538 1.623 1.00 0.00 H new ATOM 0 HA LYS A 19 2.574 -8.019 2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.158 -6.598 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.110 -6.443 2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.890 -8.380 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.103 -8.933 2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.137 -10.347 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.946 -9.063 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.993 -7.983 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.197 -9.254 -0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.412 -9.662 -2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.429 -10.874 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.262 -9.642 -1.039 1.00 0.00 H new ATOM 313 N CYS A 20 4.051 -5.785 4.720 1.00 0.00 N ATOM 314 CA CYS A 20 4.447 -5.512 6.096 1.00 0.00 C ATOM 315 C CYS A 20 3.218 -5.467 7.020 1.00 0.00 C ATOM 316 O CYS A 20 3.329 -5.142 8.202 1.00 0.00 O ATOM 317 CB CYS A 20 5.184 -4.170 6.143 1.00 0.00 C ATOM 318 SG CYS A 20 6.583 -4.079 7.318 1.00 0.00 S ATOM 0 H CYS A 20 4.295 -5.048 4.058 1.00 0.00 H new ATOM 0 HA CYS A 20 5.102 -6.310 6.444 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.557 -3.945 5.144 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.467 -3.390 6.399 1.00 0.00 H new ATOM 323 N PHE A 21 2.049 -5.797 6.463 1.00 0.00 N ATOM 324 CA PHE A 21 0.791 -5.791 7.200 1.00 0.00 C ATOM 325 C PHE A 21 0.158 -7.184 7.188 1.00 0.00 C ATOM 326 O PHE A 21 -0.450 -7.615 8.169 1.00 0.00 O ATOM 327 CB PHE A 21 -0.163 -4.777 6.563 1.00 0.00 C ATOM 328 CG PHE A 21 -1.161 -4.194 7.518 1.00 0.00 C ATOM 329 CD1 PHE A 21 -2.068 -5.006 8.177 1.00 0.00 C ATOM 330 CD2 PHE A 21 -1.189 -2.830 7.756 1.00 0.00 C ATOM 331 CE1 PHE A 21 -2.987 -4.468 9.057 1.00 0.00 C ATOM 332 CE2 PHE A 21 -2.106 -2.285 8.634 1.00 0.00 C ATOM 333 CZ PHE A 21 -3.007 -3.105 9.286 1.00 0.00 C ATOM 0 H PHE A 21 1.953 -6.076 5.487 1.00 0.00 H new ATOM 0 HA PHE A 21 0.985 -5.510 8.235 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.422 -3.968 6.126 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.698 -5.261 5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.057 -6.072 8.001 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.486 -2.185 7.250 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.689 -5.112 9.566 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.119 -1.220 8.810 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.725 -2.682 9.973 1.00 0.00 H new ATOM 343 N GLN A 22 0.317 -7.880 6.067 1.00 0.00 N ATOM 344 CA GLN A 22 -0.215 -9.223 5.897 1.00 0.00 C ATOM 345 C GLN A 22 0.860 -10.205 6.312 1.00 0.00 C ATOM 346 O GLN A 22 0.610 -11.145 7.065 1.00 0.00 O ATOM 347 CB GLN A 22 -0.628 -9.453 4.441 1.00 0.00 C ATOM 348 CG GLN A 22 -1.643 -8.442 3.931 1.00 0.00 C ATOM 349 CD GLN A 22 -2.046 -8.690 2.489 1.00 0.00 C ATOM 350 OE1 GLN A 22 -2.362 -7.755 1.753 1.00 0.00 O ATOM 351 NE2 GLN A 22 -2.042 -9.954 2.079 1.00 0.00 N ATOM 0 H GLN A 22 0.819 -7.527 5.252 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.103 -9.360 6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.260 -9.415 3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.045 -10.455 4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.531 -8.475 4.562 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.226 -7.439 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.773 -10.698 2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.308 -10.180 1.121 1.00 0.00 H new ATOM 360 N TRP A 23 2.062 -9.974 5.790 1.00 0.00 N ATOM 361 CA TRP A 23 3.222 -10.770 6.147 1.00 0.00 C ATOM 362 C TRP A 23 3.303 -10.823 7.655 1.00 0.00 C ATOM 363 O TRP A 23 3.625 -11.847 8.244 1.00 0.00 O ATOM 364 CB TRP A 23 4.497 -10.120 5.600 1.00 0.00 C ATOM 365 CG TRP A 23 5.750 -10.601 6.243 1.00 0.00 C ATOM 366 CD1 TRP A 23 6.556 -11.600 5.816 1.00 0.00 C ATOM 367 CD2 TRP A 23 6.342 -10.084 7.421 1.00 0.00 C ATOM 368 NE1 TRP A 23 7.621 -11.747 6.671 1.00 0.00 N ATOM 369 CE2 TRP A 23 7.510 -10.822 7.664 1.00 0.00 C ATOM 370 CE3 TRP A 23 5.993 -9.068 8.295 1.00 0.00 C ATOM 371 CZ2 TRP A 23 8.332 -10.571 8.748 1.00 0.00 C ATOM 372 CZ3 TRP A 23 6.805 -8.818 9.370 1.00 0.00 C ATOM 373 CH2 TRP A 23 7.968 -9.567 9.591 1.00 0.00 C ATOM 0 H TRP A 23 2.254 -9.235 5.114 1.00 0.00 H new ATOM 0 HA TRP A 23 3.130 -11.771 5.725 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.556 -10.308 4.528 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.426 -9.040 5.731 1.00 0.00 H new ATOM 0 HD1 TRP A 23 6.387 -12.196 4.931 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.369 -12.434 6.578 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.099 -8.484 8.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 9.228 -11.150 8.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.544 -8.029 10.060 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.588 -9.343 10.447 1.00 0.00 H new ATOM 384 N GLN A 24 3.022 -9.674 8.260 1.00 0.00 N ATOM 385 CA GLN A 24 3.033 -9.534 9.700 1.00 0.00 C ATOM 386 C GLN A 24 2.007 -10.468 10.338 1.00 0.00 C ATOM 387 O GLN A 24 2.270 -11.093 11.365 1.00 0.00 O ATOM 388 CB GLN A 24 2.732 -8.082 10.081 1.00 0.00 C ATOM 389 CG GLN A 24 3.848 -7.404 10.860 1.00 0.00 C ATOM 390 CD GLN A 24 4.212 -8.147 12.132 1.00 0.00 C ATOM 391 OE1 GLN A 24 3.372 -8.808 12.742 1.00 0.00 O ATOM 392 NE2 GLN A 24 5.471 -8.038 12.539 1.00 0.00 N ATOM 0 H GLN A 24 2.781 -8.818 7.761 1.00 0.00 H new ATOM 0 HA GLN A 24 4.022 -9.805 10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.538 -7.511 9.173 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.819 -8.055 10.676 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.731 -7.324 10.226 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.544 -6.388 11.112 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.134 -7.479 12.002 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.775 -8.513 13.389 1.00 0.00 H new ATOM 401 N ARG A 25 0.837 -10.551 9.712 1.00 0.00 N ATOM 402 CA ARG A 25 -0.242 -11.404 10.199 1.00 0.00 C ATOM 403 C ARG A 25 0.051 -12.861 9.886 1.00 0.00 C ATOM 404 O ARG A 25 -0.546 -13.768 10.464 1.00 0.00 O ATOM 405 CB ARG A 25 -1.566 -10.980 9.559 1.00 0.00 C ATOM 406 CG ARG A 25 -2.789 -11.334 10.389 1.00 0.00 C ATOM 407 CD ARG A 25 -3.218 -10.174 11.275 1.00 0.00 C ATOM 408 NE ARG A 25 -2.166 -9.775 12.206 1.00 0.00 N ATOM 409 CZ ARG A 25 -2.371 -9.555 13.503 1.00 0.00 C ATOM 410 NH1 ARG A 25 -3.585 -9.691 14.021 1.00 0.00 N ATOM 411 NH2 ARG A 25 -1.361 -9.198 14.283 1.00 0.00 N ATOM 0 H ARG A 25 0.611 -10.035 8.862 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.318 -11.294 11.281 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.550 -9.903 9.393 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.653 -11.452 8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.610 -11.611 9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.570 -12.204 11.008 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.491 -9.323 10.651 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.109 -10.457 11.835 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.220 -9.658 11.842 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.366 -9.965 13.425 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.737 -9.521 15.015 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.426 -9.092 13.890 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.519 -9.030 15.277 1.00 0.00 H new ATOM 425 N ASN A 26 0.971 -13.073 8.957 1.00 0.00 N ATOM 426 CA ASN A 26 1.379 -14.413 8.573 1.00 0.00 C ATOM 427 C ASN A 26 2.617 -14.797 9.367 1.00 0.00 C ATOM 428 O ASN A 26 2.894 -15.968 9.598 1.00 0.00 O ATOM 429 CB ASN A 26 1.675 -14.465 7.073 1.00 0.00 C ATOM 430 CG ASN A 26 0.461 -14.127 6.233 1.00 0.00 C ATOM 431 OD1 ASN A 26 -0.674 -14.408 6.620 1.00 0.00 O ATOM 432 ND2 ASN A 26 0.693 -13.518 5.076 1.00 0.00 N ATOM 0 H ASN A 26 1.451 -12.328 8.453 1.00 0.00 H new ATOM 0 HA ASN A 26 0.575 -15.117 8.787 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.480 -13.768 6.840 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.030 -15.461 6.810 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.086 -13.264 4.468 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.650 -13.304 4.795 1.00 0.00 H new ATOM 439 N MET A 27 3.330 -13.772 9.811 1.00 0.00 N ATOM 440 CA MET A 27 4.554 -13.931 10.584 1.00 0.00 C ATOM 441 C MET A 27 4.295 -14.715 11.859 1.00 0.00 C ATOM 442 O MET A 27 5.219 -15.152 12.544 1.00 0.00 O ATOM 443 CB MET A 27 5.091 -12.550 10.932 1.00 0.00 C ATOM 444 CG MET A 27 6.599 -12.467 10.966 1.00 0.00 C ATOM 445 SD MET A 27 7.303 -13.150 12.480 1.00 0.00 S ATOM 446 CE MET A 27 6.667 -12.002 13.700 1.00 0.00 C ATOM 0 H MET A 27 3.074 -12.799 9.644 1.00 0.00 H new ATOM 0 HA MET A 27 5.282 -14.484 9.990 1.00 0.00 H new ATOM 0 HB2 MET A 27 4.714 -11.831 10.204 1.00 0.00 H new ATOM 0 HB3 MET A 27 4.699 -12.254 11.905 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.007 -13.001 10.108 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.903 -11.425 10.867 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.334 -11.981 14.562 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.606 -11.005 13.264 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.674 -12.321 14.017 1.00 0.00 H new ATOM 456 N ARG A 28 3.026 -14.890 12.158 1.00 0.00 N ATOM 457 CA ARG A 28 2.605 -15.605 13.352 1.00 0.00 C ATOM 458 C ARG A 28 2.724 -17.107 13.148 1.00 0.00 C ATOM 459 O ARG A 28 3.068 -17.849 14.069 1.00 0.00 O ATOM 460 CB ARG A 28 1.164 -15.238 13.700 1.00 0.00 C ATOM 461 CG ARG A 28 0.147 -15.789 12.718 1.00 0.00 C ATOM 462 CD ARG A 28 -1.272 -15.616 13.224 1.00 0.00 C ATOM 463 NE ARG A 28 -2.141 -16.673 12.727 1.00 0.00 N ATOM 464 CZ ARG A 28 -3.467 -16.582 12.674 1.00 0.00 C ATOM 465 NH1 ARG A 28 -4.078 -15.482 13.092 1.00 0.00 N ATOM 466 NH2 ARG A 28 -4.185 -17.593 12.202 1.00 0.00 N ATOM 0 H ARG A 28 2.256 -14.544 11.585 1.00 0.00 H new ATOM 0 HA ARG A 28 3.257 -15.315 14.176 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.933 -15.611 14.698 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.072 -14.152 13.736 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.256 -15.282 11.759 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.345 -16.847 12.544 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.275 -15.621 14.314 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.658 -14.646 12.909 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.707 -17.536 12.400 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.531 -14.702 13.456 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.095 -15.416 13.050 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.720 -18.442 11.879 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.202 -17.522 12.162 1.00 0.00 H new ATOM 480 N LYS A 29 2.434 -17.544 11.931 1.00 0.00 N ATOM 481 CA LYS A 29 2.491 -18.964 11.594 1.00 0.00 C ATOM 482 C LYS A 29 3.711 -19.315 10.737 1.00 0.00 C ATOM 483 O LYS A 29 4.360 -20.335 10.969 1.00 0.00 O ATOM 484 CB LYS A 29 1.213 -19.374 10.861 1.00 0.00 C ATOM 485 CG LYS A 29 0.941 -18.547 9.614 1.00 0.00 C ATOM 486 CD LYS A 29 -0.346 -18.971 8.925 1.00 0.00 C ATOM 487 CE LYS A 29 -1.568 -18.668 9.781 1.00 0.00 C ATOM 488 NZ LYS A 29 -2.833 -19.047 9.095 1.00 0.00 N ATOM 0 H LYS A 29 2.157 -16.938 11.159 1.00 0.00 H new ATOM 0 HA LYS A 29 2.582 -19.514 12.530 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.284 -20.425 10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.367 -19.281 11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.879 -17.493 9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.776 -18.650 8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.434 -18.455 7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.309 -20.039 8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.492 -19.206 10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.589 -17.605 10.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.642 -18.825 9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.918 -18.515 8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.824 -20.066 8.889 1.00 0.00 H new ATOM 502 N VAL A 30 4.020 -18.475 9.751 1.00 0.00 N ATOM 503 CA VAL A 30 5.144 -18.739 8.854 1.00 0.00 C ATOM 504 C VAL A 30 6.392 -17.925 9.174 1.00 0.00 C ATOM 505 O VAL A 30 7.134 -18.249 10.102 1.00 0.00 O ATOM 506 CB VAL A 30 4.773 -18.474 7.396 1.00 0.00 C ATOM 507 CG1 VAL A 30 4.121 -19.692 6.790 1.00 0.00 C ATOM 508 CG2 VAL A 30 3.849 -17.288 7.299 1.00 0.00 C ATOM 0 H VAL A 30 3.513 -17.612 9.554 1.00 0.00 H new ATOM 0 HA VAL A 30 5.373 -19.793 9.009 1.00 0.00 H new ATOM 0 HB VAL A 30 5.685 -18.254 6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.863 -19.487 5.751 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.812 -20.534 6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.217 -19.936 7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.593 -17.111 6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.940 -17.487 7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.345 -16.406 7.706 1.00 0.00 H new ATOM 518 N ARG A 31 6.618 -16.871 8.382 1.00 0.00 N ATOM 519 CA ARG A 31 7.779 -16.011 8.545 1.00 0.00 C ATOM 520 C ARG A 31 8.029 -15.725 10.009 1.00 0.00 C ATOM 521 O ARG A 31 7.100 -15.486 10.775 1.00 0.00 O ATOM 522 CB ARG A 31 7.580 -14.706 7.771 1.00 0.00 C ATOM 523 CG ARG A 31 8.152 -14.744 6.362 1.00 0.00 C ATOM 524 CD ARG A 31 7.669 -15.957 5.586 1.00 0.00 C ATOM 525 NE ARG A 31 8.209 -15.988 4.228 1.00 0.00 N ATOM 526 CZ ARG A 31 8.115 -17.039 3.418 1.00 0.00 C ATOM 527 NH1 ARG A 31 7.505 -18.144 3.826 1.00 0.00 N ATOM 528 NH2 ARG A 31 8.632 -16.985 2.198 1.00 0.00 N ATOM 0 H ARG A 31 6.001 -16.597 7.617 1.00 0.00 H new ATOM 0 HA ARG A 31 8.652 -16.526 8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.514 -14.484 7.716 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.048 -13.890 8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.867 -13.836 5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.241 -14.756 6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.961 -16.865 6.113 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.580 -15.950 5.543 1.00 0.00 H new ATOM 0 HE ARG A 31 8.686 -15.155 3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.106 -18.190 4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.435 -18.948 3.202 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.102 -16.137 1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.560 -17.791 1.577 1.00 0.00 H new ATOM 542 N GLY A 32 9.294 -15.769 10.394 1.00 0.00 N ATOM 543 CA GLY A 32 9.641 -15.548 11.772 1.00 0.00 C ATOM 544 C GLY A 32 10.277 -14.191 12.087 1.00 0.00 C ATOM 545 O GLY A 32 10.270 -13.790 13.250 1.00 0.00 O ATOM 0 H GLY A 32 10.083 -15.954 9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.740 -15.655 12.376 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.330 -16.333 12.085 1.00 0.00 H new ATOM 549 N PRO A 33 10.836 -13.440 11.105 1.00 0.00 N ATOM 550 CA PRO A 33 11.460 -12.147 11.403 1.00 0.00 C ATOM 551 C PRO A 33 10.438 -11.097 11.837 1.00 0.00 C ATOM 552 O PRO A 33 9.271 -11.185 11.476 1.00 0.00 O ATOM 553 CB PRO A 33 12.130 -11.742 10.087 1.00 0.00 C ATOM 554 CG PRO A 33 11.416 -12.504 9.026 1.00 0.00 C ATOM 555 CD PRO A 33 10.909 -13.768 9.665 1.00 0.00 C ATOM 0 HA PRO A 33 12.161 -12.221 12.234 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.050 -10.668 9.920 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.193 -11.985 10.097 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.591 -11.919 8.619 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.086 -12.732 8.197 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.933 -14.050 9.271 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.582 -14.606 9.481 1.00 0.00 H new ATOM 563 N PRO A 34 10.857 -10.107 12.650 1.00 0.00 N ATOM 564 CA PRO A 34 9.986 -9.040 13.121 1.00 0.00 C ATOM 565 C PRO A 34 10.120 -7.770 12.283 1.00 0.00 C ATOM 566 O PRO A 34 11.177 -7.138 12.271 1.00 0.00 O ATOM 567 CB PRO A 34 10.514 -8.807 14.534 1.00 0.00 C ATOM 568 CG PRO A 34 11.977 -9.139 14.470 1.00 0.00 C ATOM 569 CD PRO A 34 12.206 -9.961 13.217 1.00 0.00 C ATOM 0 HA PRO A 34 8.928 -9.297 13.066 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.358 -7.775 14.847 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.998 -9.440 15.256 1.00 0.00 H new ATOM 0 HG2 PRO A 34 12.576 -8.228 14.445 1.00 0.00 H new ATOM 0 HG3 PRO A 34 12.282 -9.697 15.355 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.880 -9.457 12.524 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.651 -10.929 13.448 1.00 0.00 H new ATOM 577 N VAL A 35 9.049 -7.398 11.582 1.00 0.00 N ATOM 578 CA VAL A 35 9.074 -6.201 10.742 1.00 0.00 C ATOM 579 C VAL A 35 7.758 -5.428 10.804 1.00 0.00 C ATOM 580 O VAL A 35 6.764 -5.825 10.197 1.00 0.00 O ATOM 581 CB VAL A 35 9.368 -6.547 9.267 1.00 0.00 C ATOM 582 CG1 VAL A 35 9.579 -5.280 8.452 1.00 0.00 C ATOM 583 CG2 VAL A 35 10.577 -7.463 9.154 1.00 0.00 C ATOM 0 H VAL A 35 8.162 -7.902 11.578 1.00 0.00 H new ATOM 0 HA VAL A 35 9.875 -5.577 11.139 1.00 0.00 H new ATOM 0 HB VAL A 35 8.504 -7.076 8.865 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.785 -5.545 7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.681 -4.664 8.498 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.423 -4.722 8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.763 -7.692 8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.450 -6.967 9.578 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.385 -8.388 9.699 1.00 0.00 H new ATOM 593 N SER A 36 7.763 -4.323 11.540 1.00 0.00 N ATOM 594 CA SER A 36 6.588 -3.470 11.656 1.00 0.00 C ATOM 595 C SER A 36 6.815 -2.201 10.848 1.00 0.00 C ATOM 596 O SER A 36 7.322 -1.205 11.367 1.00 0.00 O ATOM 597 CB SER A 36 6.311 -3.120 13.118 1.00 0.00 C ATOM 598 OG SER A 36 7.473 -2.613 13.751 1.00 0.00 O ATOM 0 H SER A 36 8.572 -3.996 12.068 1.00 0.00 H new ATOM 0 HA SER A 36 5.721 -4.005 11.269 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.512 -2.381 13.173 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.962 -4.007 13.648 1.00 0.00 H new ATOM 0 HG SER A 36 7.901 -1.952 13.168 1.00 0.00 H new ATOM 604 N CYS A 37 6.442 -2.243 9.576 1.00 0.00 N ATOM 605 CA CYS A 37 6.650 -1.105 8.694 1.00 0.00 C ATOM 606 C CYS A 37 5.459 -0.861 7.772 1.00 0.00 C ATOM 607 O CYS A 37 5.333 -1.475 6.719 1.00 0.00 O ATOM 608 CB CYS A 37 7.916 -1.329 7.870 1.00 0.00 C ATOM 609 SG CYS A 37 7.782 -2.600 6.551 1.00 0.00 S ATOM 0 H CYS A 37 5.997 -3.048 9.135 1.00 0.00 H new ATOM 0 HA CYS A 37 6.759 -0.216 9.315 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.203 -0.383 7.412 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.723 -1.614 8.545 1.00 0.00 H new ATOM 614 N ILE A 38 4.596 0.067 8.152 1.00 0.00 N ATOM 615 CA ILE A 38 3.427 0.362 7.345 1.00 0.00 C ATOM 616 C ILE A 38 3.061 1.837 7.383 1.00 0.00 C ATOM 617 O ILE A 38 2.865 2.464 6.341 1.00 0.00 O ATOM 618 CB ILE A 38 2.225 -0.476 7.811 1.00 0.00 C ATOM 619 CG1 ILE A 38 2.467 -1.012 9.230 1.00 0.00 C ATOM 620 CG2 ILE A 38 1.976 -1.618 6.838 1.00 0.00 C ATOM 621 CD1 ILE A 38 1.267 -1.710 9.833 1.00 0.00 C ATOM 0 H ILE A 38 4.682 0.622 9.003 1.00 0.00 H new ATOM 0 HA ILE A 38 3.679 0.104 6.316 1.00 0.00 H new ATOM 0 HB ILE A 38 1.339 0.158 7.833 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.306 -1.707 9.207 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.756 -0.184 9.877 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.123 -2.205 7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.767 -1.213 5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.859 -2.255 6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.515 -2.060 10.835 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.431 -1.013 9.889 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.989 -2.560 9.210 1.00 0.00 H new ATOM 633 N LYS A 39 2.982 2.385 8.582 1.00 0.00 N ATOM 634 CA LYS A 39 2.617 3.784 8.761 1.00 0.00 C ATOM 635 C LYS A 39 3.836 4.633 9.075 1.00 0.00 C ATOM 636 O LYS A 39 3.785 5.860 8.985 1.00 0.00 O ATOM 637 CB LYS A 39 1.567 3.912 9.859 1.00 0.00 C ATOM 638 CG LYS A 39 1.018 2.565 10.309 1.00 0.00 C ATOM 639 CD LYS A 39 1.918 1.872 11.329 1.00 0.00 C ATOM 640 CE LYS A 39 2.260 2.773 12.509 1.00 0.00 C ATOM 641 NZ LYS A 39 3.133 2.084 13.499 1.00 0.00 N ATOM 0 H LYS A 39 3.166 1.883 9.451 1.00 0.00 H new ATOM 0 HA LYS A 39 2.193 4.152 7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.004 4.426 10.715 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.746 4.532 9.500 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.028 2.707 10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.896 1.918 9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.423 0.972 11.694 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.839 1.553 10.840 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.760 3.671 12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.341 3.095 12.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.343 2.731 14.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.646 1.241 13.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.021 1.799 13.039 1.00 0.00 H new ATOM 655 N ARG A 40 4.925 3.977 9.457 1.00 0.00 N ATOM 656 CA ARG A 40 6.165 4.678 9.748 1.00 0.00 C ATOM 657 C ARG A 40 6.497 5.642 8.617 1.00 0.00 C ATOM 658 O ARG A 40 6.213 5.370 7.455 1.00 0.00 O ATOM 659 CB ARG A 40 7.337 3.705 9.952 1.00 0.00 C ATOM 660 CG ARG A 40 7.172 2.310 9.337 1.00 0.00 C ATOM 661 CD ARG A 40 6.564 2.324 7.938 1.00 0.00 C ATOM 662 NE ARG A 40 7.399 3.047 6.985 1.00 0.00 N ATOM 663 CZ ARG A 40 8.069 2.462 5.997 1.00 0.00 C ATOM 664 NH1 ARG A 40 7.980 1.152 5.815 1.00 0.00 N ATOM 665 NH2 ARG A 40 8.822 3.188 5.184 1.00 0.00 N ATOM 0 H ARG A 40 4.973 2.965 9.572 1.00 0.00 H new ATOM 0 HA ARG A 40 6.019 5.230 10.676 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.236 4.159 9.536 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.505 3.590 11.023 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.147 1.824 9.295 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.543 1.707 9.991 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.425 1.299 7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.577 2.784 7.977 1.00 0.00 H new ATOM 0 HE ARG A 40 7.473 4.060 7.082 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.396 0.590 6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.495 0.706 5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.888 4.197 5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.335 2.738 4.426 1.00 0.00 H new ATOM 679 N ASP A 41 7.100 6.768 8.962 1.00 0.00 N ATOM 680 CA ASP A 41 7.456 7.774 7.979 1.00 0.00 C ATOM 681 C ASP A 41 8.717 8.479 8.434 1.00 0.00 C ATOM 682 O ASP A 41 8.984 9.623 8.067 1.00 0.00 O ATOM 683 CB ASP A 41 6.304 8.764 7.793 1.00 0.00 C ATOM 684 CG ASP A 41 6.534 9.715 6.633 1.00 0.00 C ATOM 685 OD1 ASP A 41 6.306 9.305 5.476 1.00 0.00 O ATOM 686 OD2 ASP A 41 6.940 10.869 6.883 1.00 0.00 O ATOM 0 H ASP A 41 7.354 7.007 9.921 1.00 0.00 H new ATOM 0 HA ASP A 41 7.643 7.302 7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.379 8.212 7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.173 9.339 8.709 1.00 0.00 H new ATOM 691 N SER A 42 9.488 7.769 9.248 1.00 0.00 N ATOM 692 CA SER A 42 10.723 8.298 9.797 1.00 0.00 C ATOM 693 C SER A 42 11.629 8.832 8.700 1.00 0.00 C ATOM 694 O SER A 42 11.470 8.490 7.528 1.00 0.00 O ATOM 695 CB SER A 42 11.460 7.210 10.577 1.00 0.00 C ATOM 696 OG SER A 42 10.849 6.978 11.835 1.00 0.00 O ATOM 0 H SER A 42 9.274 6.816 9.543 1.00 0.00 H new ATOM 0 HA SER A 42 10.465 9.120 10.465 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.469 6.286 9.998 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.499 7.504 10.723 1.00 0.00 H new ATOM 0 HG SER A 42 11.339 6.276 12.312 1.00 0.00 H new ATOM 702 N PRO A 43 12.598 9.683 9.072 1.00 0.00 N ATOM 703 CA PRO A 43 13.553 10.251 8.121 1.00 0.00 C ATOM 704 C PRO A 43 14.505 9.192 7.577 1.00 0.00 C ATOM 705 O PRO A 43 15.554 9.516 7.020 1.00 0.00 O ATOM 706 CB PRO A 43 14.322 11.278 8.953 1.00 0.00 C ATOM 707 CG PRO A 43 14.182 10.815 10.360 1.00 0.00 C ATOM 708 CD PRO A 43 12.830 10.170 10.446 1.00 0.00 C ATOM 0 HA PRO A 43 13.059 10.679 7.249 1.00 0.00 H new ATOM 0 HB2 PRO A 43 15.369 11.323 8.655 1.00 0.00 H new ATOM 0 HB3 PRO A 43 13.910 12.279 8.824 1.00 0.00 H new ATOM 0 HG2 PRO A 43 14.970 10.108 10.619 1.00 0.00 H new ATOM 0 HG3 PRO A 43 14.262 11.650 11.056 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.819 9.354 11.169 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.064 10.881 10.755 1.00 0.00 H new ATOM 716 N ILE A 44 14.133 7.924 7.745 1.00 0.00 N ATOM 717 CA ILE A 44 14.960 6.820 7.269 1.00 0.00 C ATOM 718 C ILE A 44 14.183 5.966 6.274 1.00 0.00 C ATOM 719 O ILE A 44 14.480 4.788 6.075 1.00 0.00 O ATOM 720 CB ILE A 44 15.441 5.932 8.437 1.00 0.00 C ATOM 721 CG1 ILE A 44 15.782 6.792 9.657 1.00 0.00 C ATOM 722 CG2 ILE A 44 16.650 5.106 8.013 1.00 0.00 C ATOM 723 CD1 ILE A 44 16.145 5.988 10.887 1.00 0.00 C ATOM 0 H ILE A 44 13.269 7.638 8.205 1.00 0.00 H new ATOM 0 HA ILE A 44 15.832 7.252 6.779 1.00 0.00 H new ATOM 0 HB ILE A 44 14.635 5.251 8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.614 7.450 9.405 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.930 7.431 9.890 1.00 0.00 H new ATOM 0 HG21 ILE A 44 16.977 4.485 8.847 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.378 4.469 7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 44 17.460 5.772 7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.374 6.665 11.710 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.306 5.350 11.165 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.017 5.369 10.673 1.00 0.00 H new ATOM 735 N GLN A 45 13.182 6.576 5.649 1.00 0.00 N ATOM 736 CA GLN A 45 12.346 5.882 4.679 1.00 0.00 C ATOM 737 C GLN A 45 11.985 6.796 3.513 1.00 0.00 C ATOM 738 O GLN A 45 12.463 6.612 2.393 1.00 0.00 O ATOM 739 CB GLN A 45 11.067 5.391 5.355 1.00 0.00 C ATOM 740 CG GLN A 45 11.307 4.445 6.521 1.00 0.00 C ATOM 741 CD GLN A 45 10.276 4.605 7.621 1.00 0.00 C ATOM 742 OE1 GLN A 45 10.537 4.298 8.784 1.00 0.00 O ATOM 743 NE2 GLN A 45 9.100 5.108 7.261 1.00 0.00 N ATOM 0 H GLN A 45 12.930 7.553 5.798 1.00 0.00 H new ATOM 0 HA GLN A 45 12.909 5.033 4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.502 6.253 5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.447 4.887 4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.291 3.417 6.160 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.301 4.624 6.931 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.926 5.349 6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.372 5.253 7.960 1.00 0.00 H new ATOM 752 N CYS A 46 11.135 7.782 3.791 1.00 0.00 N ATOM 753 CA CYS A 46 10.694 8.731 2.775 1.00 0.00 C ATOM 754 C CYS A 46 11.882 9.478 2.171 1.00 0.00 C ATOM 755 O CYS A 46 11.819 9.943 1.034 1.00 0.00 O ATOM 756 CB CYS A 46 9.705 9.727 3.383 1.00 0.00 C ATOM 757 SG CYS A 46 8.899 10.820 2.166 1.00 0.00 S ATOM 0 H CYS A 46 10.737 7.944 4.716 1.00 0.00 H new ATOM 0 HA CYS A 46 10.200 8.173 1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.936 9.174 3.923 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.229 10.341 4.115 1.00 0.00 H new ATOM 762 N ILE A 47 12.960 9.586 2.940 1.00 0.00 N ATOM 763 CA ILE A 47 14.164 10.272 2.481 1.00 0.00 C ATOM 764 C ILE A 47 15.157 9.279 1.884 1.00 0.00 C ATOM 765 O ILE A 47 15.448 9.321 0.688 1.00 0.00 O ATOM 766 CB ILE A 47 14.847 11.042 3.630 1.00 0.00 C ATOM 767 CG1 ILE A 47 13.868 12.037 4.265 1.00 0.00 C ATOM 768 CG2 ILE A 47 16.093 11.759 3.128 1.00 0.00 C ATOM 769 CD1 ILE A 47 13.361 13.097 3.310 1.00 0.00 C ATOM 0 H ILE A 47 13.025 9.207 3.885 1.00 0.00 H new ATOM 0 HA ILE A 47 13.856 10.984 1.715 1.00 0.00 H new ATOM 0 HB ILE A 47 15.151 10.325 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.017 11.487 4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.358 12.526 5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 47 16.561 12.296 3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 47 16.796 11.029 2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 47 15.816 12.465 2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 47 12.674 13.761 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.203 13.674 2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.841 12.620 2.480 1.00 0.00 H new ATOM 781 N GLN A 48 15.674 8.391 2.726 1.00 0.00 N ATOM 782 CA GLN A 48 16.629 7.381 2.284 1.00 0.00 C ATOM 783 C GLN A 48 16.119 5.979 2.601 1.00 0.00 C ATOM 784 O GLN A 48 15.796 5.669 3.748 1.00 0.00 O ATOM 785 CB GLN A 48 17.993 7.606 2.944 1.00 0.00 C ATOM 786 CG GLN A 48 17.929 7.711 4.461 1.00 0.00 C ATOM 787 CD GLN A 48 19.302 7.786 5.102 1.00 0.00 C ATOM 788 OE1 GLN A 48 19.480 8.420 6.142 1.00 0.00 O ATOM 789 NE2 GLN A 48 20.283 7.135 4.486 1.00 0.00 N ATOM 0 H GLN A 48 15.448 8.350 3.720 1.00 0.00 H new ATOM 0 HA GLN A 48 16.742 7.473 1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 48 18.657 6.785 2.673 1.00 0.00 H new ATOM 0 HB3 GLN A 48 18.434 8.519 2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 48 17.356 8.596 4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 48 17.394 6.849 4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 48 20.093 6.621 3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.226 7.149 4.874 1.00 0.00 H new ATOM 798 N ALA A 49 16.045 5.136 1.576 1.00 0.00 N ATOM 799 CA ALA A 49 15.570 3.768 1.745 1.00 0.00 C ATOM 800 C ALA A 49 16.590 2.763 1.220 1.00 0.00 C ATOM 801 O ALA A 49 16.553 2.461 0.009 1.00 0.00 O ATOM 802 CB ALA A 49 14.232 3.583 1.044 1.00 0.00 C ATOM 803 OXT ALA A 49 17.418 2.287 2.024 1.00 0.00 O ATOM 0 H ALA A 49 16.308 5.376 0.620 1.00 0.00 H new ATOM 0 HA ALA A 49 15.436 3.585 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.890 2.557 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.500 4.269 1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.347 3.791 -0.020 1.00 0.00 H new TER 809 ALA A 49