USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=9 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 26 ASN : amide:sc= -3.27! K(o=-3.3!,f=-0.66) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -174:sc= -0.169 (180deg=-0.19) USER MOD Single : A 6 SER OG : rot -29:sc= 0.395 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 150:sc= -0.509 USER MOD Single : A 14 GLN : amide:sc= -1.27! K(o=-1.3!,f=-0.11) USER MOD Single : A 18 THR OG1 : rot -91:sc= 0.997 USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= -0.17 (180deg=-0.843) USER MOD Single : A 22 GLN : amide:sc= -0.744 K(o=-0.74,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.92! C(o=-1.9!,f=-3.3!) USER MOD Single : A 27 MET CE :methyl -167:sc= -3.01! (180deg=-3.65!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= -1.14 (180deg=-1.53) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -4.31! K(o=-4.3!,f=-0.41) USER MOD Single : A 48 GLN : amide:sc= -0.898 K(o=-0.9,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.508 11.291 17.641 1.00 0.00 N ATOM 2 CA GLY A 1 -6.034 11.433 17.798 1.00 0.00 C ATOM 3 C GLY A 1 -5.338 10.097 17.947 1.00 0.00 C ATOM 4 O GLY A 1 -4.111 10.015 17.885 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.927 12.222 17.441 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.712 10.643 16.854 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.915 10.909 18.518 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.628 11.957 16.932 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.822 12.049 18.672 1.00 0.00 H new ATOM 10 N ARG A 2 -6.128 9.050 18.143 1.00 0.00 N ATOM 11 CA ARG A 2 -5.593 7.702 18.306 1.00 0.00 C ATOM 12 C ARG A 2 -6.531 6.669 17.688 1.00 0.00 C ATOM 13 O ARG A 2 -7.160 5.882 18.397 1.00 0.00 O ATOM 14 CB ARG A 2 -5.377 7.397 19.791 1.00 0.00 C ATOM 15 CG ARG A 2 -4.226 8.174 20.410 1.00 0.00 C ATOM 16 CD ARG A 2 -4.339 8.223 21.925 1.00 0.00 C ATOM 17 NE ARG A 2 -5.519 8.968 22.355 1.00 0.00 N ATOM 18 CZ ARG A 2 -5.845 9.166 23.629 1.00 0.00 C ATOM 19 NH1 ARG A 2 -5.078 8.683 24.596 1.00 0.00 N ATOM 20 NH2 ARG A 2 -6.938 9.851 23.935 1.00 0.00 N ATOM 0 H ARG A 2 -7.145 9.107 18.193 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.635 7.648 17.789 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.293 7.624 20.337 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.190 6.330 19.911 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.280 7.711 20.129 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.215 9.189 20.012 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.386 7.208 22.319 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.445 8.686 22.342 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.128 9.359 21.637 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.235 8.158 24.364 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.331 8.837 25.572 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.529 10.226 23.193 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.188 10.003 24.912 1.00 0.00 H new ATOM 34 N ARG A 3 -6.619 6.679 16.362 1.00 0.00 N ATOM 35 CA ARG A 3 -7.483 5.748 15.645 1.00 0.00 C ATOM 36 C ARG A 3 -6.710 5.030 14.542 1.00 0.00 C ATOM 37 O ARG A 3 -6.155 3.953 14.762 1.00 0.00 O ATOM 38 CB ARG A 3 -8.682 6.491 15.052 1.00 0.00 C ATOM 39 CG ARG A 3 -9.515 7.228 16.088 1.00 0.00 C ATOM 40 CD ARG A 3 -10.585 8.084 15.432 1.00 0.00 C ATOM 41 NE ARG A 3 -10.014 9.054 14.502 1.00 0.00 N ATOM 42 CZ ARG A 3 -10.742 9.855 13.729 1.00 0.00 C ATOM 43 NH1 ARG A 3 -12.065 9.798 13.770 1.00 0.00 N ATOM 44 NH2 ARG A 3 -10.145 10.713 12.914 1.00 0.00 N ATOM 0 H ARG A 3 -6.102 7.322 15.762 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.843 5.001 16.352 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.325 7.205 14.310 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.318 5.778 14.528 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.984 6.508 16.759 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.867 7.857 16.698 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.288 7.442 14.901 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.152 8.609 16.201 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.998 9.121 14.442 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.528 9.139 14.396 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -12.621 10.414 13.176 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.127 10.759 12.879 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.704 11.327 12.321 1.00 0.00 H new ATOM 58 N ARG A 4 -6.674 5.635 13.356 1.00 0.00 N ATOM 59 CA ARG A 4 -5.969 5.057 12.219 1.00 0.00 C ATOM 60 C ARG A 4 -4.940 6.036 11.666 1.00 0.00 C ATOM 61 O ARG A 4 -4.246 5.738 10.695 1.00 0.00 O ATOM 62 CB ARG A 4 -6.956 4.659 11.121 1.00 0.00 C ATOM 63 CG ARG A 4 -8.010 3.660 11.572 1.00 0.00 C ATOM 64 CD ARG A 4 -7.383 2.438 12.223 1.00 0.00 C ATOM 65 NE ARG A 4 -6.340 1.843 11.389 1.00 0.00 N ATOM 66 CZ ARG A 4 -6.326 0.564 11.025 1.00 0.00 C ATOM 67 NH1 ARG A 4 -7.295 -0.254 11.417 1.00 0.00 N ATOM 68 NH2 ARG A 4 -5.341 0.099 10.268 1.00 0.00 N ATOM 0 H ARG A 4 -7.127 6.528 13.160 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.448 4.164 12.564 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.454 5.555 10.751 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.401 4.234 10.284 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.689 4.140 12.277 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.608 3.350 10.715 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.959 2.719 13.187 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.157 1.696 12.419 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.580 2.443 11.068 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.055 0.098 12.000 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.280 -1.234 11.135 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.593 0.723 9.964 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.331 -0.882 9.990 1.00 0.00 H new ATOM 82 N ARG A 5 -4.850 7.210 12.285 1.00 0.00 N ATOM 83 CA ARG A 5 -3.896 8.227 11.859 1.00 0.00 C ATOM 84 C ARG A 5 -2.509 7.919 12.414 1.00 0.00 C ATOM 85 O ARG A 5 -1.727 8.821 12.712 1.00 0.00 O ATOM 86 CB ARG A 5 -4.356 9.617 12.309 1.00 0.00 C ATOM 87 CG ARG A 5 -4.728 9.694 13.782 1.00 0.00 C ATOM 88 CD ARG A 5 -3.527 10.034 14.651 1.00 0.00 C ATOM 89 NE ARG A 5 -2.874 11.269 14.222 1.00 0.00 N ATOM 90 CZ ARG A 5 -1.752 11.737 14.761 1.00 0.00 C ATOM 91 NH1 ARG A 5 -1.158 11.075 15.747 1.00 0.00 N ATOM 92 NH2 ARG A 5 -1.223 12.867 14.315 1.00 0.00 N ATOM 0 H ARG A 5 -5.426 7.480 13.082 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.844 8.218 10.770 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -3.562 10.335 12.107 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.216 9.916 11.710 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.503 10.448 13.922 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.149 8.741 14.101 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.847 10.134 15.688 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.810 9.214 14.616 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.303 11.802 13.466 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.562 10.205 16.093 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.297 11.437 16.158 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -1.676 13.378 13.558 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.362 13.225 14.729 1.00 0.00 H new ATOM 106 N SER A 6 -2.206 6.630 12.529 1.00 0.00 N ATOM 107 CA SER A 6 -0.922 6.187 13.052 1.00 0.00 C ATOM 108 C SER A 6 -0.371 5.034 12.223 1.00 0.00 C ATOM 109 O SER A 6 0.773 4.617 12.400 1.00 0.00 O ATOM 110 CB SER A 6 -1.053 5.770 14.519 1.00 0.00 C ATOM 111 OG SER A 6 0.202 5.384 15.055 1.00 0.00 O ATOM 0 H SER A 6 -2.836 5.872 12.265 1.00 0.00 H new ATOM 0 HA SER A 6 -0.224 7.022 12.989 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.461 6.597 15.100 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.758 4.943 14.603 1.00 0.00 H new ATOM 0 HG SER A 6 0.763 5.015 14.341 1.00 0.00 H new ATOM 117 N VAL A 7 -1.198 4.523 11.320 1.00 0.00 N ATOM 118 CA VAL A 7 -0.794 3.444 10.428 1.00 0.00 C ATOM 119 C VAL A 7 -1.474 3.605 9.074 1.00 0.00 C ATOM 120 O VAL A 7 -0.886 3.338 8.027 1.00 0.00 O ATOM 121 CB VAL A 7 -1.135 2.060 10.993 1.00 0.00 C ATOM 122 CG1 VAL A 7 -2.635 1.918 11.144 1.00 0.00 C ATOM 123 CG2 VAL A 7 -0.595 0.983 10.073 1.00 0.00 C ATOM 0 H VAL A 7 -2.158 4.841 11.186 1.00 0.00 H new ATOM 0 HA VAL A 7 0.289 3.509 10.323 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.673 1.950 11.974 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.869 0.932 11.546 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.006 2.684 11.824 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.111 2.035 10.171 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.840 0.001 10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.044 1.090 9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.487 1.083 9.992 1.00 0.00 H new ATOM 133 N GLN A 8 -2.723 4.046 9.121 1.00 0.00 N ATOM 134 CA GLN A 8 -3.523 4.264 7.926 1.00 0.00 C ATOM 135 C GLN A 8 -3.585 5.750 7.619 1.00 0.00 C ATOM 136 O GLN A 8 -4.540 6.436 7.986 1.00 0.00 O ATOM 137 CB GLN A 8 -4.924 3.719 8.152 1.00 0.00 C ATOM 138 CG GLN A 8 -5.793 3.717 6.904 1.00 0.00 C ATOM 139 CD GLN A 8 -7.158 3.102 7.145 1.00 0.00 C ATOM 140 OE1 GLN A 8 -8.110 3.795 7.502 1.00 0.00 O ATOM 141 NE2 GLN A 8 -7.257 1.792 6.951 1.00 0.00 N ATOM 0 H GLN A 8 -3.210 4.263 9.991 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.069 3.747 7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.850 2.700 8.533 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.414 4.313 8.923 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.917 4.741 6.550 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.285 3.166 6.113 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.441 1.257 6.655 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.150 1.321 7.098 1.00 0.00 H new ATOM 150 N TRP A 9 -2.559 6.241 6.945 1.00 0.00 N ATOM 151 CA TRP A 9 -2.470 7.653 6.622 1.00 0.00 C ATOM 152 C TRP A 9 -1.802 7.889 5.265 1.00 0.00 C ATOM 153 O TRP A 9 -2.433 7.723 4.220 1.00 0.00 O ATOM 154 CB TRP A 9 -1.717 8.362 7.749 1.00 0.00 C ATOM 155 CG TRP A 9 -0.758 7.480 8.501 1.00 0.00 C ATOM 156 CD1 TRP A 9 -0.562 7.481 9.840 1.00 0.00 C ATOM 157 CD2 TRP A 9 0.115 6.463 7.981 1.00 0.00 C ATOM 158 NE1 TRP A 9 0.398 6.573 10.185 1.00 0.00 N ATOM 159 CE2 TRP A 9 0.827 5.932 9.067 1.00 0.00 C ATOM 160 CE3 TRP A 9 0.373 5.958 6.713 1.00 0.00 C ATOM 161 CZ2 TRP A 9 1.775 4.926 8.920 1.00 0.00 C ATOM 162 CZ3 TRP A 9 1.302 4.959 6.569 1.00 0.00 C ATOM 163 CH2 TRP A 9 1.997 4.450 7.664 1.00 0.00 C ATOM 0 H TRP A 9 -1.775 5.681 6.611 1.00 0.00 H new ATOM 0 HA TRP A 9 -3.476 8.065 6.537 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -1.166 9.204 7.329 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -2.441 8.774 8.452 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -1.091 8.112 10.539 1.00 0.00 H new ATOM 0 HE1 TRP A 9 0.739 6.403 11.131 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -0.151 6.347 5.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.315 4.537 9.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 1.499 4.558 5.586 1.00 0.00 H new ATOM 0 HH2 TRP A 9 2.724 3.665 7.514 1.00 0.00 H new ATOM 174 N CYS A 10 -0.526 8.277 5.282 1.00 0.00 N ATOM 175 CA CYS A 10 0.226 8.512 4.053 1.00 0.00 C ATOM 176 C CYS A 10 0.601 7.181 3.401 1.00 0.00 C ATOM 177 O CYS A 10 1.535 7.099 2.604 1.00 0.00 O ATOM 178 CB CYS A 10 1.489 9.317 4.361 1.00 0.00 C ATOM 179 SG CYS A 10 2.439 9.813 2.889 1.00 0.00 S ATOM 0 H CYS A 10 0.008 8.435 6.137 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.398 9.078 3.361 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.209 10.212 4.917 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.133 8.726 5.012 1.00 0.00 H new ATOM 184 N ALA A 11 -0.144 6.142 3.759 1.00 0.00 N ATOM 185 CA ALA A 11 0.076 4.800 3.250 1.00 0.00 C ATOM 186 C ALA A 11 -0.375 4.670 1.798 1.00 0.00 C ATOM 187 O ALA A 11 -1.383 4.025 1.503 1.00 0.00 O ATOM 188 CB ALA A 11 -0.657 3.801 4.136 1.00 0.00 C ATOM 0 H ALA A 11 -0.922 6.211 4.415 1.00 0.00 H new ATOM 0 HA ALA A 11 1.145 4.589 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.495 2.792 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.278 3.872 5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.724 4.024 4.130 1.00 0.00 H new ATOM 194 N VAL A 12 0.379 5.289 0.894 1.00 0.00 N ATOM 195 CA VAL A 12 0.065 5.243 -0.528 1.00 0.00 C ATOM 196 C VAL A 12 0.618 3.972 -1.166 1.00 0.00 C ATOM 197 O VAL A 12 0.094 3.490 -2.170 1.00 0.00 O ATOM 198 CB VAL A 12 0.636 6.470 -1.270 1.00 0.00 C ATOM 199 CG1 VAL A 12 0.193 6.475 -2.725 1.00 0.00 C ATOM 200 CG2 VAL A 12 0.219 7.756 -0.575 1.00 0.00 C ATOM 0 H VAL A 12 1.213 5.829 1.123 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.021 5.250 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 12 1.724 6.407 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.607 7.349 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.549 5.570 -3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.895 6.510 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.631 8.610 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.869 7.826 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.595 7.755 0.448 1.00 0.00 H new ATOM 210 N SER A 13 1.681 3.434 -0.573 1.00 0.00 N ATOM 211 CA SER A 13 2.307 2.218 -1.081 1.00 0.00 C ATOM 212 C SER A 13 1.446 0.996 -0.778 1.00 0.00 C ATOM 213 O SER A 13 0.766 0.940 0.246 1.00 0.00 O ATOM 214 CB SER A 13 3.697 2.041 -0.468 1.00 0.00 C ATOM 215 OG SER A 13 4.325 0.866 -0.953 1.00 0.00 O ATOM 0 H SER A 13 2.126 3.821 0.259 1.00 0.00 H new ATOM 0 HA SER A 13 2.404 2.313 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.314 2.909 -0.701 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.615 1.991 0.618 1.00 0.00 H new ATOM 0 HG SER A 13 5.296 0.995 -0.964 1.00 0.00 H new ATOM 221 N GLN A 14 1.482 0.020 -1.681 1.00 0.00 N ATOM 222 CA GLN A 14 0.705 -1.205 -1.518 1.00 0.00 C ATOM 223 C GLN A 14 1.600 -2.440 -1.370 1.00 0.00 C ATOM 224 O GLN A 14 1.488 -3.164 -0.384 1.00 0.00 O ATOM 225 CB GLN A 14 -0.250 -1.396 -2.699 1.00 0.00 C ATOM 226 CG GLN A 14 -1.682 -0.996 -2.395 1.00 0.00 C ATOM 227 CD GLN A 14 -1.872 0.506 -2.312 1.00 0.00 C ATOM 228 OE1 GLN A 14 -2.704 0.997 -1.549 1.00 0.00 O ATOM 229 NE2 GLN A 14 -1.107 1.245 -3.108 1.00 0.00 N ATOM 0 H GLN A 14 2.041 0.054 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 14 0.129 -1.098 -0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.110 -0.810 -3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.231 -2.442 -3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.338 -1.398 -3.168 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.987 -1.448 -1.451 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.430 0.796 -3.725 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.197 2.261 -3.102 1.00 0.00 H new ATOM 238 N PRO A 15 2.514 -2.699 -2.333 1.00 0.00 N ATOM 239 CA PRO A 15 3.396 -3.871 -2.281 1.00 0.00 C ATOM 240 C PRO A 15 4.289 -3.871 -1.050 1.00 0.00 C ATOM 241 O PRO A 15 4.907 -4.882 -0.716 1.00 0.00 O ATOM 242 CB PRO A 15 4.242 -3.754 -3.555 1.00 0.00 C ATOM 243 CG PRO A 15 4.141 -2.324 -3.957 1.00 0.00 C ATOM 244 CD PRO A 15 2.777 -1.871 -3.522 1.00 0.00 C ATOM 0 HA PRO A 15 2.826 -4.798 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.277 -4.039 -3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.867 -4.412 -4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.921 -1.728 -3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.265 -2.211 -5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.762 -0.807 -3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.031 -2.034 -4.300 1.00 0.00 H new ATOM 252 N GLU A 16 4.348 -2.730 -0.377 1.00 0.00 N ATOM 253 CA GLU A 16 5.161 -2.589 0.820 1.00 0.00 C ATOM 254 C GLU A 16 4.284 -2.591 2.067 1.00 0.00 C ATOM 255 O GLU A 16 4.510 -3.367 2.994 1.00 0.00 O ATOM 256 CB GLU A 16 5.974 -1.297 0.744 1.00 0.00 C ATOM 257 CG GLU A 16 6.935 -1.109 1.907 1.00 0.00 C ATOM 258 CD GLU A 16 7.784 0.139 1.766 1.00 0.00 C ATOM 259 OE1 GLU A 16 8.853 0.060 1.124 1.00 0.00 O ATOM 260 OE2 GLU A 16 7.379 1.195 2.295 1.00 0.00 O ATOM 0 H GLU A 16 3.840 -1.886 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 16 5.844 -3.436 0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.540 -1.289 -0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.290 -0.449 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.368 -1.055 2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.586 -1.980 1.980 1.00 0.00 H new ATOM 267 N ALA A 17 3.283 -1.720 2.079 1.00 0.00 N ATOM 268 CA ALA A 17 2.361 -1.620 3.204 1.00 0.00 C ATOM 269 C ALA A 17 1.636 -2.935 3.440 1.00 0.00 C ATOM 270 O ALA A 17 1.770 -3.532 4.507 1.00 0.00 O ATOM 271 CB ALA A 17 1.362 -0.501 2.960 1.00 0.00 C ATOM 0 H ALA A 17 3.088 -1.069 1.318 1.00 0.00 H new ATOM 0 HA ALA A 17 2.939 -1.392 4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.677 -0.434 3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.894 0.444 2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.797 -0.709 2.051 1.00 0.00 H new ATOM 277 N THR A 18 0.873 -3.391 2.447 1.00 0.00 N ATOM 278 CA THR A 18 0.134 -4.639 2.587 1.00 0.00 C ATOM 279 C THR A 18 1.011 -5.739 3.140 1.00 0.00 C ATOM 280 O THR A 18 0.750 -6.222 4.222 1.00 0.00 O ATOM 281 CB THR A 18 -0.488 -5.143 1.282 1.00 0.00 C ATOM 282 OG1 THR A 18 0.526 -5.354 0.292 1.00 0.00 O ATOM 283 CG2 THR A 18 -1.534 -4.174 0.759 1.00 0.00 C ATOM 0 H THR A 18 0.753 -2.921 1.550 1.00 0.00 H new ATOM 0 HA THR A 18 -0.674 -4.401 3.278 1.00 0.00 H new ATOM 0 HB THR A 18 -0.980 -6.092 1.494 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.646 -4.535 -0.233 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.957 -4.561 -0.168 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.326 -4.060 1.499 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.071 -3.205 0.571 1.00 0.00 H new ATOM 291 N LYS A 19 2.035 -6.153 2.392 1.00 0.00 N ATOM 292 CA LYS A 19 2.928 -7.204 2.864 1.00 0.00 C ATOM 293 C LYS A 19 3.340 -6.944 4.302 1.00 0.00 C ATOM 294 O LYS A 19 3.007 -7.702 5.194 1.00 0.00 O ATOM 295 CB LYS A 19 4.181 -7.315 1.987 1.00 0.00 C ATOM 296 CG LYS A 19 4.709 -8.742 1.872 1.00 0.00 C ATOM 297 CD LYS A 19 3.712 -9.620 1.137 1.00 0.00 C ATOM 298 CE LYS A 19 3.864 -9.496 -0.371 1.00 0.00 C ATOM 299 NZ LYS A 19 5.225 -9.895 -0.826 1.00 0.00 N ATOM 0 H LYS A 19 2.262 -5.781 1.470 1.00 0.00 H new ATOM 0 HA LYS A 19 2.382 -8.145 2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.954 -6.937 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.963 -6.677 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.662 -8.742 1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.896 -9.148 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.853 -10.659 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.699 -9.341 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.119 -10.120 -0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.667 -8.467 -0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.185 -10.189 -1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.874 -9.088 -0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.567 -10.687 -0.245 1.00 0.00 H new ATOM 313 N CYS A 20 3.989 -5.823 4.542 1.00 0.00 N ATOM 314 CA CYS A 20 4.464 -5.497 5.879 1.00 0.00 C ATOM 315 C CYS A 20 3.288 -5.393 6.877 1.00 0.00 C ATOM 316 O CYS A 20 3.473 -4.986 8.024 1.00 0.00 O ATOM 317 CB CYS A 20 5.227 -4.163 5.810 1.00 0.00 C ATOM 318 SG CYS A 20 6.730 -4.040 6.835 1.00 0.00 S ATOM 0 H CYS A 20 4.201 -5.121 3.833 1.00 0.00 H new ATOM 0 HA CYS A 20 5.123 -6.289 6.233 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.505 -3.981 4.772 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.546 -3.364 6.103 1.00 0.00 H new ATOM 323 N PHE A 21 2.088 -5.779 6.425 1.00 0.00 N ATOM 324 CA PHE A 21 0.870 -5.723 7.235 1.00 0.00 C ATOM 325 C PHE A 21 0.185 -7.086 7.264 1.00 0.00 C ATOM 326 O PHE A 21 -0.313 -7.528 8.299 1.00 0.00 O ATOM 327 CB PHE A 21 -0.080 -4.685 6.632 1.00 0.00 C ATOM 328 CG PHE A 21 -1.023 -4.071 7.620 1.00 0.00 C ATOM 329 CD1 PHE A 21 -1.921 -4.851 8.331 1.00 0.00 C ATOM 330 CD2 PHE A 21 -1.007 -2.706 7.836 1.00 0.00 C ATOM 331 CE1 PHE A 21 -2.786 -4.277 9.241 1.00 0.00 C ATOM 332 CE2 PHE A 21 -1.870 -2.124 8.745 1.00 0.00 C ATOM 333 CZ PHE A 21 -2.761 -2.911 9.450 1.00 0.00 C ATOM 0 H PHE A 21 1.937 -6.140 5.483 1.00 0.00 H new ATOM 0 HA PHE A 21 1.131 -5.444 8.256 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.510 -3.894 6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.659 -5.156 5.838 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.944 -5.919 8.172 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.312 -2.087 7.288 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.482 -4.895 9.789 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.848 -1.056 8.904 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.436 -2.460 10.162 1.00 0.00 H new ATOM 343 N GLN A 22 0.171 -7.737 6.112 1.00 0.00 N ATOM 344 CA GLN A 22 -0.426 -9.047 5.966 1.00 0.00 C ATOM 345 C GLN A 22 0.655 -10.053 6.262 1.00 0.00 C ATOM 346 O GLN A 22 0.450 -11.011 7.003 1.00 0.00 O ATOM 347 CB GLN A 22 -0.972 -9.240 4.548 1.00 0.00 C ATOM 348 CG GLN A 22 -1.993 -8.193 4.137 1.00 0.00 C ATOM 349 CD GLN A 22 -2.680 -8.536 2.830 1.00 0.00 C ATOM 350 OE1 GLN A 22 -3.832 -8.164 2.606 1.00 0.00 O ATOM 351 NE2 GLN A 22 -1.976 -9.251 1.958 1.00 0.00 N ATOM 0 H GLN A 22 0.576 -7.367 5.252 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.267 -9.168 6.649 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.141 -9.220 3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.428 -10.227 4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.742 -8.092 4.922 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.499 -7.226 4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.024 -9.538 2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.388 -9.512 1.062 1.00 0.00 H new ATOM 360 N TRP A 23 1.817 -9.814 5.661 1.00 0.00 N ATOM 361 CA TRP A 23 2.980 -10.637 5.900 1.00 0.00 C ATOM 362 C TRP A 23 3.261 -10.631 7.391 1.00 0.00 C ATOM 363 O TRP A 23 3.599 -11.653 7.966 1.00 0.00 O ATOM 364 CB TRP A 23 4.210 -10.115 5.150 1.00 0.00 C ATOM 365 CG TRP A 23 5.476 -10.638 5.707 1.00 0.00 C ATOM 366 CD1 TRP A 23 6.091 -11.787 5.376 1.00 0.00 C ATOM 367 CD2 TRP A 23 6.263 -10.029 6.710 1.00 0.00 C ATOM 368 NE1 TRP A 23 7.222 -11.953 6.128 1.00 0.00 N ATOM 369 CE2 TRP A 23 7.350 -10.876 6.955 1.00 0.00 C ATOM 370 CE3 TRP A 23 6.146 -8.849 7.424 1.00 0.00 C ATOM 371 CZ2 TRP A 23 8.318 -10.578 7.891 1.00 0.00 C ATOM 372 CZ3 TRP A 23 7.104 -8.547 8.353 1.00 0.00 C ATOM 373 CH2 TRP A 23 8.186 -9.409 8.586 1.00 0.00 C ATOM 0 H TRP A 23 1.970 -9.050 5.002 1.00 0.00 H new ATOM 0 HA TRP A 23 2.778 -11.645 5.539 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.136 -10.394 4.099 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.221 -9.026 5.191 1.00 0.00 H new ATOM 0 HD1 TRP A 23 5.742 -12.480 4.624 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.861 -12.747 6.079 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.316 -8.180 7.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 9.150 -11.244 8.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.026 -7.629 8.917 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.926 -9.144 9.326 1.00 0.00 H new ATOM 384 N GLN A 24 3.160 -9.448 8.001 1.00 0.00 N ATOM 385 CA GLN A 24 3.362 -9.316 9.435 1.00 0.00 C ATOM 386 C GLN A 24 2.457 -10.298 10.176 1.00 0.00 C ATOM 387 O GLN A 24 2.712 -10.664 11.322 1.00 0.00 O ATOM 388 CB GLN A 24 3.100 -7.877 9.885 1.00 0.00 C ATOM 389 CG GLN A 24 3.949 -7.458 11.074 1.00 0.00 C ATOM 390 CD GLN A 24 3.864 -5.976 11.364 1.00 0.00 C ATOM 391 OE1 GLN A 24 3.020 -5.530 12.142 1.00 0.00 O ATOM 392 NE2 GLN A 24 4.745 -5.206 10.739 1.00 0.00 N ATOM 0 H GLN A 24 2.940 -8.575 7.522 1.00 0.00 H new ATOM 0 HA GLN A 24 4.399 -9.553 9.673 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.294 -7.201 9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.046 -7.770 10.143 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.631 -8.015 11.956 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.988 -7.727 10.885 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.425 -5.622 10.103 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.742 -4.198 10.894 1.00 0.00 H new ATOM 401 N ARG A 25 1.382 -10.697 9.506 1.00 0.00 N ATOM 402 CA ARG A 25 0.439 -11.675 10.043 1.00 0.00 C ATOM 403 C ARG A 25 0.784 -13.052 9.513 1.00 0.00 C ATOM 404 O ARG A 25 0.471 -14.069 10.133 1.00 0.00 O ATOM 405 CB ARG A 25 -0.993 -11.285 9.678 1.00 0.00 C ATOM 406 CG ARG A 25 -1.709 -10.501 10.768 1.00 0.00 C ATOM 407 CD ARG A 25 -1.165 -9.087 10.889 1.00 0.00 C ATOM 408 NE ARG A 25 -1.742 -8.374 12.024 1.00 0.00 N ATOM 409 CZ ARG A 25 -2.873 -7.674 11.960 1.00 0.00 C ATOM 410 NH1 ARG A 25 -3.550 -7.607 10.822 1.00 0.00 N ATOM 411 NH2 ARG A 25 -3.328 -7.046 13.036 1.00 0.00 N ATOM 0 H ARG A 25 1.139 -10.353 8.577 1.00 0.00 H new ATOM 0 HA ARG A 25 0.511 -11.693 11.130 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.977 -10.690 8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.562 -12.189 9.459 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.776 -10.463 10.549 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.597 -11.017 11.721 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.081 -9.124 10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.375 -8.538 9.971 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.251 -8.414 12.917 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.205 -8.092 9.994 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.416 -7.070 10.775 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.811 -7.099 13.914 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.194 -6.510 12.986 1.00 0.00 H new ATOM 425 N ASN A 26 1.422 -13.079 8.356 1.00 0.00 N ATOM 426 CA ASN A 26 1.871 -14.326 7.784 1.00 0.00 C ATOM 427 C ASN A 26 3.224 -14.633 8.375 1.00 0.00 C ATOM 428 O ASN A 26 3.806 -15.682 8.126 1.00 0.00 O ATOM 429 CB ASN A 26 1.964 -14.252 6.269 1.00 0.00 C ATOM 430 CG ASN A 26 0.614 -14.081 5.601 1.00 0.00 C ATOM 431 OD1 ASN A 26 -0.124 -15.048 5.408 1.00 0.00 O ATOM 432 ND2 ASN A 26 0.292 -12.849 5.230 1.00 0.00 N ATOM 0 H ASN A 26 1.638 -12.252 7.799 1.00 0.00 H new ATOM 0 HA ASN A 26 1.153 -15.113 8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.609 -13.419 5.990 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.436 -15.160 5.895 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.598 -12.673 4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.935 -12.078 5.410 1.00 0.00 H new ATOM 439 N MET A 27 3.705 -13.673 9.162 1.00 0.00 N ATOM 440 CA MET A 27 4.972 -13.775 9.856 1.00 0.00 C ATOM 441 C MET A 27 4.934 -15.023 10.696 1.00 0.00 C ATOM 442 O MET A 27 5.940 -15.694 10.926 1.00 0.00 O ATOM 443 CB MET A 27 5.140 -12.551 10.742 1.00 0.00 C ATOM 444 CG MET A 27 6.085 -11.500 10.193 1.00 0.00 C ATOM 445 SD MET A 27 6.810 -10.465 11.484 1.00 0.00 S ATOM 446 CE MET A 27 5.402 -10.172 12.552 1.00 0.00 C ATOM 0 H MET A 27 3.215 -12.795 9.333 1.00 0.00 H new ATOM 0 HA MET A 27 5.807 -13.824 9.157 1.00 0.00 H new ATOM 0 HB2 MET A 27 4.162 -12.095 10.899 1.00 0.00 H new ATOM 0 HB3 MET A 27 5.502 -12.872 11.718 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.883 -11.991 9.637 1.00 0.00 H new ATOM 0 HG3 MET A 27 5.547 -10.868 9.487 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.638 -9.372 13.253 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.541 -9.884 11.948 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.169 -11.082 13.105 1.00 0.00 H new ATOM 456 N ARG A 28 3.727 -15.307 11.144 1.00 0.00 N ATOM 457 CA ARG A 28 3.434 -16.460 11.940 1.00 0.00 C ATOM 458 C ARG A 28 3.765 -17.736 11.181 1.00 0.00 C ATOM 459 O ARG A 28 3.968 -18.793 11.779 1.00 0.00 O ATOM 460 CB ARG A 28 1.955 -16.404 12.285 1.00 0.00 C ATOM 461 CG ARG A 28 1.685 -15.752 13.613 1.00 0.00 C ATOM 462 CD ARG A 28 1.723 -14.235 13.525 1.00 0.00 C ATOM 463 NE ARG A 28 0.591 -13.702 12.772 1.00 0.00 N ATOM 464 CZ ARG A 28 -0.665 -13.723 13.210 1.00 0.00 C ATOM 465 NH1 ARG A 28 -0.952 -14.245 14.395 1.00 0.00 N ATOM 466 NH2 ARG A 28 -1.639 -13.222 12.461 1.00 0.00 N ATOM 0 H ARG A 28 2.912 -14.724 10.955 1.00 0.00 H new ATOM 0 HA ARG A 28 4.038 -16.464 12.848 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.426 -15.858 11.504 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.551 -17.416 12.295 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.709 -16.069 13.980 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.424 -16.091 14.339 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.720 -13.813 14.530 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.653 -13.923 13.051 1.00 0.00 H new ATOM 0 HE ARG A 28 0.774 -13.290 11.857 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.208 -14.633 14.975 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.917 -14.259 14.726 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.425 -12.820 11.548 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.602 -13.239 12.798 1.00 0.00 H new ATOM 480 N LYS A 29 3.815 -17.626 9.858 1.00 0.00 N ATOM 481 CA LYS A 29 4.120 -18.788 9.017 1.00 0.00 C ATOM 482 C LYS A 29 4.702 -18.442 7.630 1.00 0.00 C ATOM 483 O LYS A 29 4.301 -19.043 6.632 1.00 0.00 O ATOM 484 CB LYS A 29 2.855 -19.637 8.846 1.00 0.00 C ATOM 485 CG LYS A 29 1.578 -18.818 8.710 1.00 0.00 C ATOM 486 CD LYS A 29 1.478 -18.140 7.352 1.00 0.00 C ATOM 487 CE LYS A 29 1.197 -19.144 6.245 1.00 0.00 C ATOM 488 NZ LYS A 29 1.160 -18.497 4.905 1.00 0.00 N ATOM 0 H LYS A 29 3.652 -16.759 9.346 1.00 0.00 H new ATOM 0 HA LYS A 29 4.902 -19.340 9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.968 -20.266 7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.758 -20.304 9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.714 -19.466 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.546 -18.063 9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.685 -17.392 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.408 -17.613 7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.965 -19.918 6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.244 -19.638 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.966 -19.215 4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.411 -17.776 4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.078 -18.047 4.711 1.00 0.00 H new ATOM 502 N VAL A 30 5.640 -17.490 7.548 1.00 0.00 N ATOM 503 CA VAL A 30 6.254 -17.155 6.250 1.00 0.00 C ATOM 504 C VAL A 30 7.752 -17.443 6.208 1.00 0.00 C ATOM 505 O VAL A 30 8.179 -18.598 6.184 1.00 0.00 O ATOM 506 CB VAL A 30 6.053 -15.695 5.830 1.00 0.00 C ATOM 507 CG1 VAL A 30 4.736 -15.515 5.110 1.00 0.00 C ATOM 508 CG2 VAL A 30 6.154 -14.792 7.026 1.00 0.00 C ATOM 0 H VAL A 30 5.986 -16.949 8.340 1.00 0.00 H new ATOM 0 HA VAL A 30 5.729 -17.805 5.550 1.00 0.00 H new ATOM 0 HB VAL A 30 6.844 -15.422 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.618 -14.470 4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.721 -16.141 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.918 -15.804 5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.009 -13.758 6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.387 -15.063 7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.139 -14.900 7.481 1.00 0.00 H new ATOM 518 N ARG A 31 8.544 -16.370 6.199 1.00 0.00 N ATOM 519 CA ARG A 31 9.989 -16.469 6.129 1.00 0.00 C ATOM 520 C ARG A 31 10.610 -16.108 7.483 1.00 0.00 C ATOM 521 O ARG A 31 10.104 -16.535 8.520 1.00 0.00 O ATOM 522 CB ARG A 31 10.510 -15.585 4.978 1.00 0.00 C ATOM 523 CG ARG A 31 9.861 -14.200 4.874 1.00 0.00 C ATOM 524 CD ARG A 31 10.338 -13.264 5.971 1.00 0.00 C ATOM 525 NE ARG A 31 11.784 -13.067 5.922 1.00 0.00 N ATOM 526 CZ ARG A 31 12.406 -12.388 4.962 1.00 0.00 C ATOM 527 NH1 ARG A 31 11.709 -11.822 3.986 1.00 0.00 N ATOM 528 NH2 ARG A 31 13.727 -12.273 4.980 1.00 0.00 N ATOM 0 H ARG A 31 8.195 -15.412 6.240 1.00 0.00 H new ATOM 0 HA ARG A 31 10.286 -17.495 5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 31 11.586 -15.457 5.098 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.355 -16.113 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.090 -13.765 3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.777 -14.302 4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.836 -12.302 5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.059 -13.670 6.943 1.00 0.00 H new ATOM 0 HE ARG A 31 12.350 -13.474 6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.693 -11.907 3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.189 -11.302 3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.266 -12.705 5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.204 -11.752 4.244 1.00 0.00 H new ATOM 542 N GLY A 32 11.703 -15.346 7.486 1.00 0.00 N ATOM 543 CA GLY A 32 12.324 -14.967 8.741 1.00 0.00 C ATOM 544 C GLY A 32 12.120 -13.495 9.069 1.00 0.00 C ATOM 545 O GLY A 32 12.989 -12.676 8.784 1.00 0.00 O ATOM 0 H GLY A 32 12.164 -14.988 6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.912 -15.576 9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.392 -15.181 8.694 1.00 0.00 H new ATOM 549 N PRO A 33 10.978 -13.157 9.704 1.00 0.00 N ATOM 550 CA PRO A 33 10.579 -11.789 10.069 1.00 0.00 C ATOM 551 C PRO A 33 11.686 -10.781 10.351 1.00 0.00 C ATOM 552 O PRO A 33 12.127 -10.620 11.488 1.00 0.00 O ATOM 553 CB PRO A 33 9.735 -12.051 11.295 1.00 0.00 C ATOM 554 CG PRO A 33 8.947 -13.227 10.858 1.00 0.00 C ATOM 555 CD PRO A 33 9.938 -14.112 10.151 1.00 0.00 C ATOM 0 HA PRO A 33 10.087 -11.295 9.231 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.342 -12.267 12.174 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.100 -11.201 11.547 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.495 -13.739 11.708 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.134 -12.934 10.194 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.347 -14.872 10.817 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.483 -14.636 9.310 1.00 0.00 H new ATOM 563 N PRO A 34 12.145 -10.091 9.290 1.00 0.00 N ATOM 564 CA PRO A 34 13.136 -9.043 9.364 1.00 0.00 C ATOM 565 C PRO A 34 12.532 -7.680 9.014 1.00 0.00 C ATOM 566 O PRO A 34 13.259 -6.722 8.751 1.00 0.00 O ATOM 567 CB PRO A 34 14.072 -9.486 8.249 1.00 0.00 C ATOM 568 CG PRO A 34 13.145 -10.022 7.191 1.00 0.00 C ATOM 569 CD PRO A 34 11.827 -10.341 7.880 1.00 0.00 C ATOM 0 HA PRO A 34 13.588 -8.920 10.348 1.00 0.00 H new ATOM 0 HB2 PRO A 34 14.668 -8.654 7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.770 -10.249 8.593 1.00 0.00 H new ATOM 0 HG2 PRO A 34 12.999 -9.289 6.398 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.564 -10.915 6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.018 -9.702 7.526 1.00 0.00 H new ATOM 0 HD3 PRO A 34 11.518 -11.372 7.709 1.00 0.00 H new ATOM 577 N VAL A 35 11.193 -7.598 9.011 1.00 0.00 N ATOM 578 CA VAL A 35 10.513 -6.368 8.639 1.00 0.00 C ATOM 579 C VAL A 35 9.411 -5.967 9.614 1.00 0.00 C ATOM 580 O VAL A 35 8.656 -6.791 10.125 1.00 0.00 O ATOM 581 CB VAL A 35 9.877 -6.470 7.233 1.00 0.00 C ATOM 582 CG1 VAL A 35 9.844 -5.103 6.569 1.00 0.00 C ATOM 583 CG2 VAL A 35 10.625 -7.467 6.361 1.00 0.00 C ATOM 0 H VAL A 35 10.572 -8.367 9.261 1.00 0.00 H new ATOM 0 HA VAL A 35 11.294 -5.607 8.655 1.00 0.00 H new ATOM 0 HB VAL A 35 8.855 -6.829 7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.394 -5.190 5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.254 -4.417 7.177 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.860 -4.721 6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.154 -7.517 5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.661 -7.148 6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.596 -8.452 6.827 1.00 0.00 H new ATOM 593 N SER A 36 9.372 -4.674 9.861 1.00 0.00 N ATOM 594 CA SER A 36 8.373 -4.032 10.710 1.00 0.00 C ATOM 595 C SER A 36 8.120 -2.646 10.131 1.00 0.00 C ATOM 596 O SER A 36 8.682 -1.658 10.603 1.00 0.00 O ATOM 597 CB SER A 36 8.863 -3.932 12.155 1.00 0.00 C ATOM 598 OG SER A 36 7.895 -3.307 12.980 1.00 0.00 O ATOM 0 H SER A 36 10.049 -4.018 9.470 1.00 0.00 H new ATOM 0 HA SER A 36 7.454 -4.619 10.728 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.082 -4.929 12.538 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.794 -3.366 12.188 1.00 0.00 H new ATOM 0 HG SER A 36 8.232 -3.257 13.899 1.00 0.00 H new ATOM 604 N CYS A 37 7.275 -2.573 9.105 1.00 0.00 N ATOM 605 CA CYS A 37 7.046 -1.305 8.421 1.00 0.00 C ATOM 606 C CYS A 37 5.625 -1.091 7.906 1.00 0.00 C ATOM 607 O CYS A 37 5.338 -1.338 6.735 1.00 0.00 O ATOM 608 CB CYS A 37 8.000 -1.209 7.240 1.00 0.00 C ATOM 609 SG CYS A 37 7.795 -2.513 5.960 1.00 0.00 S ATOM 0 H CYS A 37 6.746 -3.363 8.735 1.00 0.00 H new ATOM 0 HA CYS A 37 7.216 -0.532 9.170 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.871 -0.235 6.768 1.00 0.00 H new ATOM 0 HB3 CYS A 37 9.023 -1.248 7.615 1.00 0.00 H new ATOM 614 N ILE A 38 4.740 -0.618 8.765 1.00 0.00 N ATOM 615 CA ILE A 38 3.376 -0.322 8.350 1.00 0.00 C ATOM 616 C ILE A 38 2.809 0.835 9.137 1.00 0.00 C ATOM 617 O ILE A 38 2.305 1.797 8.568 1.00 0.00 O ATOM 618 CB ILE A 38 2.448 -1.532 8.484 1.00 0.00 C ATOM 619 CG1 ILE A 38 2.889 -2.420 9.649 1.00 0.00 C ATOM 620 CG2 ILE A 38 2.409 -2.310 7.183 1.00 0.00 C ATOM 621 CD1 ILE A 38 1.825 -3.398 10.098 1.00 0.00 C ATOM 0 H ILE A 38 4.937 -0.431 9.748 1.00 0.00 H new ATOM 0 HA ILE A 38 3.429 -0.054 7.295 1.00 0.00 H new ATOM 0 HB ILE A 38 1.439 -1.180 8.698 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.781 -2.974 9.356 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.169 -1.788 10.492 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.745 -3.168 7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.041 -1.666 6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.413 -2.657 6.936 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.206 -3.995 10.927 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.940 -2.850 10.422 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.561 -4.055 9.269 1.00 0.00 H new ATOM 633 N LYS A 39 2.885 0.730 10.451 1.00 0.00 N ATOM 634 CA LYS A 39 2.391 1.793 11.316 1.00 0.00 C ATOM 635 C LYS A 39 3.378 2.950 11.309 1.00 0.00 C ATOM 636 O LYS A 39 3.212 3.940 12.019 1.00 0.00 O ATOM 637 CB LYS A 39 2.133 1.295 12.740 1.00 0.00 C ATOM 638 CG LYS A 39 1.551 -0.110 12.805 1.00 0.00 C ATOM 639 CD LYS A 39 2.636 -1.166 12.940 1.00 0.00 C ATOM 640 CE LYS A 39 3.345 -1.071 14.282 1.00 0.00 C ATOM 641 NZ LYS A 39 4.354 -2.153 14.458 1.00 0.00 N ATOM 0 H LYS A 39 3.280 -0.072 10.942 1.00 0.00 H new ATOM 0 HA LYS A 39 1.432 2.137 10.928 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.070 1.316 13.297 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.450 1.984 13.238 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.867 -0.181 13.651 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.966 -0.303 11.906 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.196 -2.157 12.830 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.362 -1.048 12.135 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.835 -0.101 14.365 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.610 -1.127 15.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.962 -1.931 15.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.868 -3.057 14.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.937 -2.227 13.600 1.00 0.00 H new ATOM 655 N ARG A 40 4.417 2.797 10.496 1.00 0.00 N ATOM 656 CA ARG A 40 5.431 3.824 10.328 1.00 0.00 C ATOM 657 C ARG A 40 5.374 4.346 8.902 1.00 0.00 C ATOM 658 O ARG A 40 4.960 3.630 7.989 1.00 0.00 O ATOM 659 CB ARG A 40 6.830 3.287 10.629 1.00 0.00 C ATOM 660 CG ARG A 40 6.991 1.794 10.385 1.00 0.00 C ATOM 661 CD ARG A 40 6.579 0.982 11.605 1.00 0.00 C ATOM 662 NE ARG A 40 7.330 1.373 12.796 1.00 0.00 N ATOM 663 CZ ARG A 40 7.248 0.740 13.962 1.00 0.00 C ATOM 664 NH1 ARG A 40 6.454 -0.314 14.097 1.00 0.00 N ATOM 665 NH2 ARG A 40 7.963 1.161 14.997 1.00 0.00 N ATOM 0 H ARG A 40 4.577 1.959 9.937 1.00 0.00 H new ATOM 0 HA ARG A 40 5.228 4.630 11.034 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.553 3.824 10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.073 3.502 11.670 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.387 1.497 9.528 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.029 1.575 10.134 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.513 1.116 11.787 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.738 -0.078 11.407 1.00 0.00 H new ATOM 0 HE ARG A 40 7.953 2.178 12.729 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.903 -0.642 13.304 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.395 -0.796 14.994 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.576 1.970 14.898 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.900 0.675 15.892 1.00 0.00 H new ATOM 679 N ASP A 41 5.789 5.585 8.709 1.00 0.00 N ATOM 680 CA ASP A 41 5.759 6.188 7.401 1.00 0.00 C ATOM 681 C ASP A 41 6.911 7.158 7.254 1.00 0.00 C ATOM 682 O ASP A 41 6.746 8.277 6.766 1.00 0.00 O ATOM 683 CB ASP A 41 4.421 6.875 7.174 1.00 0.00 C ATOM 684 CG ASP A 41 4.126 7.935 8.217 1.00 0.00 C ATOM 685 OD1 ASP A 41 3.641 7.574 9.309 1.00 0.00 O ATOM 686 OD2 ASP A 41 4.380 9.126 7.940 1.00 0.00 O ATOM 0 H ASP A 41 6.150 6.189 9.447 1.00 0.00 H new ATOM 0 HA ASP A 41 5.871 5.414 6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.415 7.332 6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.627 6.128 7.185 1.00 0.00 H new ATOM 691 N SER A 42 8.076 6.717 7.716 1.00 0.00 N ATOM 692 CA SER A 42 9.293 7.500 7.642 1.00 0.00 C ATOM 693 C SER A 42 9.458 8.074 6.237 1.00 0.00 C ATOM 694 O SER A 42 8.687 7.739 5.338 1.00 0.00 O ATOM 695 CB SER A 42 10.480 6.601 7.998 1.00 0.00 C ATOM 696 OG SER A 42 10.499 6.305 9.384 1.00 0.00 O ATOM 0 H SER A 42 8.198 5.803 8.153 1.00 0.00 H new ATOM 0 HA SER A 42 9.245 8.331 8.346 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.423 5.675 7.426 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.411 7.093 7.715 1.00 0.00 H new ATOM 0 HG SER A 42 11.265 5.728 9.585 1.00 0.00 H new ATOM 702 N PRO A 43 10.444 8.963 6.016 1.00 0.00 N ATOM 703 CA PRO A 43 10.685 9.540 4.690 1.00 0.00 C ATOM 704 C PRO A 43 10.956 8.476 3.622 1.00 0.00 C ATOM 705 O PRO A 43 11.425 8.799 2.529 1.00 0.00 O ATOM 706 CB PRO A 43 11.925 10.423 4.889 1.00 0.00 C ATOM 707 CG PRO A 43 12.517 9.990 6.188 1.00 0.00 C ATOM 708 CD PRO A 43 11.368 9.509 7.022 1.00 0.00 C ATOM 0 HA PRO A 43 9.812 10.086 4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.634 10.294 4.072 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.655 11.479 4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.250 9.197 6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.035 10.816 6.676 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.679 8.750 7.740 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.914 10.320 7.591 1.00 0.00 H new ATOM 716 N ILE A 44 10.662 7.208 3.934 1.00 0.00 N ATOM 717 CA ILE A 44 10.878 6.120 2.985 1.00 0.00 C ATOM 718 C ILE A 44 9.661 5.200 2.933 1.00 0.00 C ATOM 719 O ILE A 44 9.745 4.062 2.470 1.00 0.00 O ATOM 720 CB ILE A 44 12.124 5.286 3.353 1.00 0.00 C ATOM 721 CG1 ILE A 44 13.231 6.191 3.903 1.00 0.00 C ATOM 722 CG2 ILE A 44 12.623 4.515 2.139 1.00 0.00 C ATOM 723 CD1 ILE A 44 14.433 5.433 4.422 1.00 0.00 C ATOM 0 H ILE A 44 10.276 6.916 4.832 1.00 0.00 H new ATOM 0 HA ILE A 44 11.036 6.575 2.007 1.00 0.00 H new ATOM 0 HB ILE A 44 11.846 4.571 4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.554 6.874 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 44 12.822 6.802 4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.502 3.932 2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.839 3.845 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.886 5.215 1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.175 6.139 4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.124 4.770 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 44 14.867 4.843 3.615 1.00 0.00 H new ATOM 735 N GLN A 45 8.525 5.703 3.406 1.00 0.00 N ATOM 736 CA GLN A 45 7.290 4.926 3.428 1.00 0.00 C ATOM 737 C GLN A 45 6.079 5.809 3.129 1.00 0.00 C ATOM 738 O GLN A 45 4.993 5.310 2.833 1.00 0.00 O ATOM 739 CB GLN A 45 7.120 4.254 4.791 1.00 0.00 C ATOM 740 CG GLN A 45 8.118 3.137 5.053 1.00 0.00 C ATOM 741 CD GLN A 45 8.587 3.091 6.490 1.00 0.00 C ATOM 742 OE1 GLN A 45 9.713 2.684 6.774 1.00 0.00 O ATOM 743 NE2 GLN A 45 7.727 3.507 7.405 1.00 0.00 N ATOM 0 H GLN A 45 8.434 6.648 3.780 1.00 0.00 H new ATOM 0 HA GLN A 45 7.355 4.162 2.653 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.219 5.008 5.572 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.110 3.851 4.863 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.662 2.181 4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.980 3.266 4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.803 3.836 7.124 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.988 3.498 8.391 1.00 0.00 H new ATOM 752 N CYS A 46 6.275 7.122 3.210 1.00 0.00 N ATOM 753 CA CYS A 46 5.205 8.078 2.949 1.00 0.00 C ATOM 754 C CYS A 46 5.410 8.748 1.594 1.00 0.00 C ATOM 755 O CYS A 46 4.806 8.351 0.597 1.00 0.00 O ATOM 756 CB CYS A 46 5.159 9.134 4.056 1.00 0.00 C ATOM 757 SG CYS A 46 4.145 10.596 3.657 1.00 0.00 S ATOM 0 H CYS A 46 7.168 7.549 3.455 1.00 0.00 H new ATOM 0 HA CYS A 46 4.256 7.542 2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.771 8.674 4.965 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.176 9.460 4.273 1.00 0.00 H new ATOM 762 N ILE A 47 6.273 9.761 1.565 1.00 0.00 N ATOM 763 CA ILE A 47 6.565 10.491 0.335 1.00 0.00 C ATOM 764 C ILE A 47 8.014 10.970 0.317 1.00 0.00 C ATOM 765 O ILE A 47 8.458 11.669 1.229 1.00 0.00 O ATOM 766 CB ILE A 47 5.629 11.707 0.161 1.00 0.00 C ATOM 767 CG1 ILE A 47 4.167 11.248 0.122 1.00 0.00 C ATOM 768 CG2 ILE A 47 5.989 12.477 -1.104 1.00 0.00 C ATOM 769 CD1 ILE A 47 3.172 12.376 -0.065 1.00 0.00 C ATOM 0 H ILE A 47 6.783 10.095 2.382 1.00 0.00 H new ATOM 0 HA ILE A 47 6.400 9.799 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 47 5.757 12.374 1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.044 10.530 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.936 10.724 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.320 13.331 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.019 12.828 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.886 11.823 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.161 11.970 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.265 13.084 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.374 12.887 -1.006 1.00 0.00 H new ATOM 781 N GLN A 48 8.746 10.592 -0.727 1.00 0.00 N ATOM 782 CA GLN A 48 10.146 10.982 -0.863 1.00 0.00 C ATOM 783 C GLN A 48 10.280 12.243 -1.714 1.00 0.00 C ATOM 784 O GLN A 48 9.602 12.394 -2.730 1.00 0.00 O ATOM 785 CB GLN A 48 10.957 9.840 -1.480 1.00 0.00 C ATOM 786 CG GLN A 48 10.484 9.425 -2.865 1.00 0.00 C ATOM 787 CD GLN A 48 11.293 10.061 -3.980 1.00 0.00 C ATOM 788 OE1 GLN A 48 11.834 11.155 -3.827 1.00 0.00 O ATOM 789 NE2 GLN A 48 11.380 9.372 -5.113 1.00 0.00 N ATOM 0 H GLN A 48 8.393 10.016 -1.491 1.00 0.00 H new ATOM 0 HA GLN A 48 10.538 11.197 0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.003 10.141 -1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.911 8.976 -0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.543 8.340 -2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.435 9.698 -2.982 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.915 8.468 -5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.911 9.747 -5.899 1.00 0.00 H new ATOM 798 N ALA A 49 11.160 13.146 -1.289 1.00 0.00 N ATOM 799 CA ALA A 49 11.386 14.395 -2.007 1.00 0.00 C ATOM 800 C ALA A 49 11.890 14.132 -3.423 1.00 0.00 C ATOM 801 O ALA A 49 13.118 13.983 -3.597 1.00 0.00 O ATOM 802 CB ALA A 49 12.374 15.268 -1.249 1.00 0.00 C ATOM 803 OXT ALA A 49 11.052 14.080 -4.348 1.00 0.00 O ATOM 0 H ALA A 49 11.729 13.035 -0.449 1.00 0.00 H new ATOM 0 HA ALA A 49 10.434 14.920 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.533 16.197 -1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.976 15.494 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.322 14.740 -1.147 1.00 0.00 H new TER 809 ALA A 49