USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 474 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= 1.54 (180deg=1.49) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 12:sc= -0.848! USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= -0.0184 (180deg=-0.226) USER MOD Single : A 24 GLN : amide:sc= -0.653 K(o=-0.65,f=-2.2!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 130:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -7.61! C(o=-7.6!,f=-10!) USER MOD Single : A 30 SER OG : rot -87:sc= 1.21 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0567 X(o=-0.057,f=-0.0051) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0539 F(o=-2.4!,f=-0.054) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 48 ASN : amide:sc= -2.19 K(o=-2.2,f=-4.3!) USER MOD Single : A 49 ASN : amide:sc= -1.49 K(o=-1.5,f=-7.5!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc=-0.00549 K(o=-0.0055,f=-1.7) USER MOD Single : A 58 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.013) USER MOD Single : A 59 THR OG1 : rot 105:sc= 0.801 USER MOD Single : A 61 GLN : amide:sc= -5.86! C(o=-5.9!,f=-9.7!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.188 2.332 -3.683 1.00 74.35 N ATOM 2 CA ALA A 1 7.255 1.238 -3.389 1.00 0.33 C ATOM 3 C ALA A 1 6.235 1.095 -4.509 1.00 64.15 C ATOM 4 O ALA A 1 6.013 -0.006 -5.022 1.00 24.54 O ATOM 5 CB ALA A 1 6.561 1.446 -2.052 1.00 24.21 C ATOM 0 H1 ALA A 1 8.878 2.417 -2.910 1.00 74.35 H new ATOM 0 H2 ALA A 1 8.688 2.132 -4.573 1.00 74.35 H new ATOM 0 H3 ALA A 1 7.660 3.223 -3.775 1.00 74.35 H new ATOM 0 HA ALA A 1 7.830 0.315 -3.322 1.00 0.33 H new ATOM 0 HB1 ALA A 1 5.877 0.618 -1.864 1.00 24.21 H new ATOM 0 HB2 ALA A 1 7.306 1.488 -1.258 1.00 24.21 H new ATOM 0 HB3 ALA A 1 6.002 2.381 -2.074 1.00 24.21 H new ATOM 13 N ARG A 2 5.556 2.191 -4.839 1.00 42.13 N ATOM 14 CA ARG A 2 4.610 2.216 -5.947 1.00 5.31 C ATOM 15 C ARG A 2 5.384 2.012 -7.249 1.00 4.13 C ATOM 16 O ARG A 2 6.313 2.775 -7.553 1.00 73.35 O ATOM 17 CB ARG A 2 3.850 3.556 -6.006 1.00 22.53 C ATOM 18 CG ARG A 2 2.636 3.730 -5.067 1.00 62.01 C ATOM 19 CD ARG A 2 2.937 3.565 -3.579 1.00 73.40 C ATOM 20 NE ARG A 2 2.998 2.153 -3.153 1.00 32.11 N ATOM 21 CZ ARG A 2 2.765 1.725 -1.905 1.00 44.42 C ATOM 22 NH1 ARG A 2 2.563 2.599 -0.918 1.00 71.10 N ATOM 23 NH2 ARG A 2 2.764 0.420 -1.646 1.00 33.10 N ATOM 0 H ARG A 2 5.646 3.081 -4.348 1.00 42.13 H new ATOM 0 HA ARG A 2 3.877 1.422 -5.804 1.00 5.31 H new ATOM 0 HB2 ARG A 2 4.559 4.355 -5.790 1.00 22.53 H new ATOM 0 HB3 ARG A 2 3.507 3.703 -7.030 1.00 22.53 H new ATOM 0 HG2 ARG A 2 2.211 4.721 -5.228 1.00 62.01 H new ATOM 0 HG3 ARG A 2 1.872 3.006 -5.349 1.00 62.01 H new ATOM 0 HD2 ARG A 2 3.887 4.048 -3.351 1.00 73.40 H new ATOM 0 HD3 ARG A 2 2.170 4.080 -3.000 1.00 73.40 H new ATOM 0 HE ARG A 2 3.234 1.455 -3.858 1.00 32.11 H new ATOM 0 HH11 ARG A 2 2.585 3.600 -1.111 1.00 71.10 H new ATOM 0 HH12 ARG A 2 2.386 2.266 0.030 1.00 71.10 H new ATOM 0 HH21 ARG A 2 2.940 -0.249 -2.396 1.00 33.10 H new ATOM 0 HH22 ARG A 2 2.587 0.088 -0.698 1.00 33.10 H new ATOM 37 N PRO A 3 5.024 0.957 -8.008 1.00 45.13 N ATOM 38 CA PRO A 3 5.715 0.564 -9.240 1.00 12.01 C ATOM 39 C PRO A 3 5.619 1.606 -10.341 1.00 24.55 C ATOM 40 O PRO A 3 4.797 2.549 -10.284 1.00 24.02 O ATOM 41 CB PRO A 3 4.987 -0.717 -9.674 1.00 32.13 C ATOM 42 CG PRO A 3 4.262 -1.177 -8.467 1.00 51.34 C ATOM 43 CD PRO A 3 3.901 0.056 -7.719 1.00 3.11 C ATOM 0 HA PRO A 3 6.783 0.437 -9.063 1.00 12.01 H new ATOM 0 HB2 PRO A 3 4.299 -0.520 -10.496 1.00 32.13 H new ATOM 0 HB3 PRO A 3 5.692 -1.472 -10.022 1.00 32.13 H new ATOM 0 HG2 PRO A 3 3.372 -1.745 -8.738 1.00 51.34 H new ATOM 0 HG3 PRO A 3 4.887 -1.833 -7.861 1.00 51.34 H new ATOM 0 HD2 PRO A 3 2.952 0.471 -8.059 1.00 3.11 H new ATOM 0 HD3 PRO A 3 3.801 -0.135 -6.650 1.00 3.11 H new ATOM 51 N LYS A 4 6.439 1.427 -11.334 1.00 40.21 N ATOM 52 CA LYS A 4 6.465 2.341 -12.419 1.00 64.42 C ATOM 53 C LYS A 4 5.970 1.662 -13.691 1.00 41.50 C ATOM 54 O LYS A 4 6.304 0.521 -14.001 1.00 53.54 O ATOM 55 CB LYS A 4 7.873 2.972 -12.642 1.00 20.02 C ATOM 56 CG LYS A 4 8.414 3.761 -11.449 1.00 53.11 C ATOM 57 CD LYS A 4 9.673 4.550 -11.829 1.00 44.53 C ATOM 58 CE LYS A 4 10.823 3.644 -12.234 1.00 64.30 C ATOM 59 NZ LYS A 4 11.991 4.410 -12.739 1.00 10.05 N ATOM 0 H LYS A 4 7.098 0.652 -11.408 1.00 40.21 H new ATOM 0 HA LYS A 4 5.794 3.161 -12.164 1.00 64.42 H new ATOM 0 HB2 LYS A 4 8.578 2.177 -12.885 1.00 20.02 H new ATOM 0 HB3 LYS A 4 7.827 3.633 -13.507 1.00 20.02 H new ATOM 0 HG2 LYS A 4 7.648 4.446 -11.086 1.00 53.11 H new ATOM 0 HG3 LYS A 4 8.643 3.077 -10.632 1.00 53.11 H new ATOM 0 HD2 LYS A 4 9.440 5.227 -12.651 1.00 44.53 H new ATOM 0 HD3 LYS A 4 9.980 5.168 -10.985 1.00 44.53 H new ATOM 0 HE2 LYS A 4 11.128 3.043 -11.378 1.00 64.30 H new ATOM 0 HE3 LYS A 4 10.484 2.952 -13.005 1.00 64.30 H new ATOM 0 HZ1 LYS A 4 12.796 3.766 -12.875 1.00 10.05 H new ATOM 0 HZ2 LYS A 4 11.747 4.856 -13.646 1.00 10.05 H new ATOM 0 HZ3 LYS A 4 12.248 5.145 -12.050 1.00 10.05 H new ATOM 73 N ASP A 5 5.141 2.418 -14.373 1.00 62.41 N ATOM 74 CA ASP A 5 4.572 1.974 -15.655 1.00 53.45 C ATOM 75 C ASP A 5 5.589 2.486 -16.613 1.00 1.34 C ATOM 76 O ASP A 5 6.700 2.807 -16.201 1.00 34.43 O ATOM 77 CB ASP A 5 3.203 2.593 -15.949 1.00 23.53 C ATOM 78 CG ASP A 5 2.166 2.287 -14.906 1.00 44.42 C ATOM 79 OD1 ASP A 5 1.548 1.201 -14.951 1.00 25.50 O ATOM 80 OD2 ASP A 5 1.925 3.147 -14.020 1.00 4.24 O ATOM 0 H ASP A 5 4.837 3.345 -14.074 1.00 62.41 H new ATOM 0 HA ASP A 5 4.392 0.900 -15.691 1.00 53.45 H new ATOM 0 HB2 ASP A 5 3.313 3.674 -16.033 1.00 23.53 H new ATOM 0 HB3 ASP A 5 2.851 2.233 -16.916 1.00 23.53 H new ATOM 85 N ARG A 6 5.314 2.507 -17.894 1.00 13.43 N ATOM 86 CA ARG A 6 6.075 3.411 -18.733 1.00 1.23 C ATOM 87 C ARG A 6 5.563 4.769 -18.275 1.00 30.42 C ATOM 88 O ARG A 6 4.390 5.081 -18.505 1.00 35.50 O ATOM 89 CB ARG A 6 5.774 3.242 -20.253 1.00 10.24 C ATOM 90 CG ARG A 6 5.924 1.826 -20.777 1.00 45.45 C ATOM 91 CD ARG A 6 4.628 1.067 -20.563 1.00 23.34 C ATOM 92 NE ARG A 6 4.806 -0.372 -20.449 1.00 44.31 N ATOM 93 CZ ARG A 6 3.864 -1.171 -19.943 1.00 75.20 C ATOM 94 NH1 ARG A 6 2.589 -0.760 -19.929 1.00 61.15 N ATOM 95 NH2 ARG A 6 4.174 -2.396 -19.531 1.00 20.23 N ATOM 0 H ARG A 6 4.607 1.942 -18.364 1.00 13.43 H new ATOM 0 HA ARG A 6 7.148 3.248 -18.636 1.00 1.23 H new ATOM 0 HB2 ARG A 6 4.756 3.581 -20.447 1.00 10.24 H new ATOM 0 HB3 ARG A 6 6.440 3.895 -20.816 1.00 10.24 H new ATOM 0 HG2 ARG A 6 6.176 1.844 -21.837 1.00 45.45 H new ATOM 0 HG3 ARG A 6 6.742 1.322 -20.263 1.00 45.45 H new ATOM 0 HD2 ARG A 6 4.145 1.437 -19.659 1.00 23.34 H new ATOM 0 HD3 ARG A 6 3.953 1.276 -21.393 1.00 23.34 H new ATOM 0 HE ARG A 6 5.682 -0.786 -20.767 1.00 44.31 H new ATOM 0 HH11 ARG A 6 2.345 0.157 -20.303 1.00 61.15 H new ATOM 0 HH12 ARG A 6 1.863 -1.364 -19.544 1.00 61.15 H new ATOM 0 HH21 ARG A 6 5.135 -2.729 -19.601 1.00 20.23 H new ATOM 0 HH22 ARG A 6 3.450 -3.003 -19.145 1.00 20.23 H new ATOM 109 N PRO A 7 6.383 5.567 -17.591 1.00 24.42 N ATOM 110 CA PRO A 7 5.961 6.813 -16.963 1.00 4.23 C ATOM 111 C PRO A 7 5.753 7.931 -17.860 1.00 41.13 C ATOM 112 O PRO A 7 6.410 8.931 -17.705 1.00 50.30 O ATOM 113 CB PRO A 7 7.009 7.072 -15.866 1.00 32.03 C ATOM 114 CG PRO A 7 7.874 5.847 -15.882 1.00 3.31 C ATOM 115 CD PRO A 7 7.782 5.315 -17.289 1.00 74.20 C ATOM 0 HA PRO A 7 4.956 6.709 -16.553 1.00 4.23 H new ATOM 0 HB2 PRO A 7 7.589 7.971 -16.074 1.00 32.03 H new ATOM 0 HB3 PRO A 7 6.539 7.214 -14.893 1.00 32.03 H new ATOM 0 HG2 PRO A 7 8.904 6.089 -15.619 1.00 3.31 H new ATOM 0 HG3 PRO A 7 7.525 5.110 -15.159 1.00 3.31 H new ATOM 0 HD2 PRO A 7 8.452 5.838 -17.972 1.00 74.20 H new ATOM 0 HD3 PRO A 7 8.032 4.256 -17.346 1.00 74.20 H new ATOM 123 N SER A 8 4.838 7.685 -18.848 1.00 44.13 N ATOM 124 CA SER A 8 4.241 8.633 -19.779 1.00 45.20 C ATOM 125 C SER A 8 5.189 9.710 -20.152 1.00 34.03 C ATOM 126 O SER A 8 5.807 9.650 -21.204 1.00 64.10 O ATOM 127 CB SER A 8 2.911 9.153 -19.244 1.00 61.04 C ATOM 128 OG SER A 8 2.032 8.062 -18.966 1.00 23.41 O ATOM 0 H SER A 8 4.488 6.740 -19.007 1.00 44.13 H new ATOM 0 HA SER A 8 4.018 8.109 -20.708 1.00 45.20 H new ATOM 0 HB2 SER A 8 3.078 9.735 -18.338 1.00 61.04 H new ATOM 0 HB3 SER A 8 2.454 9.822 -19.973 1.00 61.04 H new ATOM 0 HG SER A 8 1.182 8.407 -18.621 1.00 23.41 H new ATOM 134 N TYR A 9 5.308 10.675 -19.246 1.00 34.21 N ATOM 135 CA TYR A 9 6.302 11.693 -19.286 1.00 25.30 C ATOM 136 C TYR A 9 7.647 11.251 -19.740 1.00 45.13 C ATOM 137 O TYR A 9 8.225 11.958 -20.524 1.00 54.41 O ATOM 138 CB TYR A 9 6.359 12.478 -18.000 1.00 72.52 C ATOM 139 CG TYR A 9 5.149 13.339 -17.809 1.00 41.10 C ATOM 140 CD1 TYR A 9 4.441 13.759 -18.921 1.00 4.11 C ATOM 141 CD2 TYR A 9 4.745 13.777 -16.566 1.00 61.20 C ATOM 142 CE1 TYR A 9 3.356 14.586 -18.808 1.00 2.42 C ATOM 143 CE2 TYR A 9 3.660 14.620 -16.440 1.00 33.31 C ATOM 144 CZ TYR A 9 2.969 15.020 -17.567 1.00 42.34 C ATOM 145 OH TYR A 9 1.900 15.874 -17.452 1.00 5.32 O ATOM 0 H TYR A 9 4.684 10.755 -18.443 1.00 34.21 H new ATOM 0 HA TYR A 9 5.968 12.367 -20.075 1.00 25.30 H new ATOM 0 HB2 TYR A 9 6.449 11.790 -17.160 1.00 72.52 H new ATOM 0 HB3 TYR A 9 7.252 13.103 -17.997 1.00 72.52 H new ATOM 0 HD1 TYR A 9 4.751 13.427 -19.901 1.00 4.11 H new ATOM 0 HD2 TYR A 9 5.281 13.458 -15.685 1.00 61.20 H new ATOM 0 HE1 TYR A 9 2.810 14.893 -19.688 1.00 2.42 H new ATOM 0 HE2 TYR A 9 3.352 14.966 -15.464 1.00 33.31 H new ATOM 0 HH TYR A 9 1.752 16.087 -16.507 1.00 5.32 H new ATOM 155 N CYS A 10 8.195 10.123 -19.267 1.00 13.43 N ATOM 156 CA CYS A 10 9.438 9.611 -19.763 1.00 11.24 C ATOM 157 C CYS A 10 9.383 9.501 -21.283 1.00 34.33 C ATOM 158 O CYS A 10 10.172 10.090 -21.968 1.00 72.14 O ATOM 159 CB CYS A 10 9.668 8.176 -19.277 1.00 34.22 C ATOM 160 SG CYS A 10 9.842 7.950 -17.498 1.00 10.02 S ATOM 0 H CYS A 10 7.774 9.556 -18.531 1.00 13.43 H new ATOM 0 HA CYS A 10 10.220 10.287 -19.417 1.00 11.24 H new ATOM 0 HB2 CYS A 10 8.835 7.562 -19.619 1.00 34.22 H new ATOM 0 HB3 CYS A 10 10.567 7.792 -19.760 1.00 34.22 H new ATOM 165 N ASN A 11 8.356 8.894 -21.809 1.00 41.04 N ATOM 166 CA ASN A 11 8.400 8.495 -23.242 1.00 54.21 C ATOM 167 C ASN A 11 7.870 9.549 -24.173 1.00 72.34 C ATOM 168 O ASN A 11 7.779 9.325 -25.381 1.00 11.41 O ATOM 169 CB ASN A 11 7.730 7.186 -23.569 1.00 71.53 C ATOM 170 CG ASN A 11 8.312 5.935 -22.906 1.00 62.24 C ATOM 171 OD1 ASN A 11 8.831 5.963 -21.787 1.00 61.04 O ATOM 172 ND2 ASN A 11 8.235 4.824 -23.609 1.00 24.45 N ATOM 0 H ASN A 11 7.496 8.659 -21.314 1.00 41.04 H new ATOM 0 HA ASN A 11 9.470 8.365 -23.405 1.00 54.21 H new ATOM 0 HB2 ASN A 11 6.679 7.262 -23.290 1.00 71.53 H new ATOM 0 HB3 ASN A 11 7.764 7.046 -24.649 1.00 71.53 H new ATOM 0 HD21 ASN A 11 8.611 3.954 -23.231 1.00 24.45 H new ATOM 0 HD22 ASN A 11 7.800 4.833 -24.531 1.00 24.45 H new ATOM 179 N LEU A 12 7.497 10.658 -23.646 1.00 74.23 N ATOM 180 CA LEU A 12 6.820 11.685 -24.426 1.00 75.02 C ATOM 181 C LEU A 12 7.796 12.635 -25.111 1.00 31.31 C ATOM 182 O LEU A 12 8.944 12.761 -24.701 1.00 50.42 O ATOM 183 CB LEU A 12 5.834 12.489 -23.554 1.00 32.24 C ATOM 184 CG LEU A 12 4.643 11.727 -22.972 1.00 42.31 C ATOM 185 CD1 LEU A 12 3.677 12.677 -22.290 1.00 1.14 C ATOM 186 CD2 LEU A 12 3.937 10.902 -24.033 1.00 31.01 C ATOM 0 H LEU A 12 7.642 10.900 -22.666 1.00 74.23 H new ATOM 0 HA LEU A 12 6.264 11.161 -25.203 1.00 75.02 H new ATOM 0 HB2 LEU A 12 6.393 12.927 -22.727 1.00 32.24 H new ATOM 0 HB3 LEU A 12 5.449 13.315 -24.152 1.00 32.24 H new ATOM 0 HG LEU A 12 5.027 11.035 -22.222 1.00 42.31 H new ATOM 0 HD11 LEU A 12 2.838 12.113 -21.884 1.00 1.14 H new ATOM 0 HD12 LEU A 12 4.189 13.198 -21.481 1.00 1.14 H new ATOM 0 HD13 LEU A 12 3.309 13.404 -23.014 1.00 1.14 H new ATOM 0 HD21 LEU A 12 3.096 10.374 -23.583 1.00 31.01 H new ATOM 0 HD22 LEU A 12 3.573 11.559 -24.822 1.00 31.01 H new ATOM 0 HD23 LEU A 12 4.635 10.179 -24.456 1.00 31.01 H new ATOM 198 N PRO A 13 7.355 13.250 -26.224 1.00 71.12 N ATOM 199 CA PRO A 13 8.098 14.290 -26.914 1.00 50.24 C ATOM 200 C PRO A 13 7.815 15.668 -26.287 1.00 53.34 C ATOM 201 O PRO A 13 6.687 15.960 -25.861 1.00 30.25 O ATOM 202 CB PRO A 13 7.532 14.236 -28.350 1.00 32.20 C ATOM 203 CG PRO A 13 6.556 13.104 -28.355 1.00 64.24 C ATOM 204 CD PRO A 13 6.128 12.935 -26.942 1.00 43.21 C ATOM 0 HA PRO A 13 9.177 14.144 -26.866 1.00 50.24 H new ATOM 0 HB2 PRO A 13 7.045 15.175 -28.615 1.00 32.20 H new ATOM 0 HB3 PRO A 13 8.326 14.072 -29.078 1.00 32.20 H new ATOM 0 HG2 PRO A 13 5.704 13.325 -28.998 1.00 64.24 H new ATOM 0 HG3 PRO A 13 7.016 12.192 -28.736 1.00 64.24 H new ATOM 0 HD2 PRO A 13 5.314 13.610 -26.677 1.00 43.21 H new ATOM 0 HD3 PRO A 13 5.782 11.922 -26.737 1.00 43.21 H new ATOM 212 N ALA A 14 8.847 16.473 -26.234 1.00 3.23 N ATOM 213 CA ALA A 14 8.792 17.802 -25.625 1.00 25.05 C ATOM 214 C ALA A 14 7.922 18.766 -26.450 1.00 31.13 C ATOM 215 O ALA A 14 7.816 18.608 -27.687 1.00 34.41 O ATOM 216 CB ALA A 14 10.188 18.339 -25.509 1.00 31.32 C ATOM 0 H ALA A 14 9.763 16.233 -26.613 1.00 3.23 H new ATOM 0 HA ALA A 14 8.338 17.716 -24.638 1.00 25.05 H new ATOM 0 HB1 ALA A 14 10.160 19.330 -25.056 1.00 31.32 H new ATOM 0 HB2 ALA A 14 10.784 17.672 -24.886 1.00 31.32 H new ATOM 0 HB3 ALA A 14 10.636 18.406 -26.501 1.00 31.32 H new ATOM 222 N ASP A 15 7.339 19.761 -25.796 1.00 23.24 N ATOM 223 CA ASP A 15 6.620 20.842 -26.452 1.00 1.25 C ATOM 224 C ASP A 15 7.082 22.170 -25.904 1.00 75.23 C ATOM 225 O ASP A 15 6.940 22.445 -24.714 1.00 13.02 O ATOM 226 CB ASP A 15 5.095 20.728 -26.374 1.00 51.55 C ATOM 227 CG ASP A 15 4.526 19.570 -27.150 1.00 61.32 C ATOM 228 OD1 ASP A 15 4.459 19.653 -28.401 1.00 61.13 O ATOM 229 OD2 ASP A 15 4.106 18.563 -26.554 1.00 52.52 O ATOM 0 H ASP A 15 7.353 19.840 -24.779 1.00 23.24 H new ATOM 0 HA ASP A 15 6.860 20.766 -27.513 1.00 1.25 H new ATOM 0 HB2 ASP A 15 4.801 20.631 -25.329 1.00 51.55 H new ATOM 0 HB3 ASP A 15 4.653 21.653 -26.745 1.00 51.55 H new ATOM 234 N SER A 16 7.698 22.959 -26.741 1.00 12.52 N ATOM 235 CA SER A 16 8.360 24.146 -26.293 1.00 13.13 C ATOM 236 C SER A 16 7.432 25.382 -26.101 1.00 30.43 C ATOM 237 O SER A 16 7.640 26.179 -25.187 1.00 32.42 O ATOM 238 CB SER A 16 9.551 24.462 -27.184 1.00 61.51 C ATOM 239 OG SER A 16 9.185 24.545 -28.555 1.00 53.14 O ATOM 0 H SER A 16 7.753 22.796 -27.746 1.00 12.52 H new ATOM 0 HA SER A 16 8.717 23.923 -25.287 1.00 13.13 H new ATOM 0 HB2 SER A 16 9.998 25.406 -26.871 1.00 61.51 H new ATOM 0 HB3 SER A 16 10.312 23.692 -27.058 1.00 61.51 H new ATOM 0 HG SER A 16 9.978 24.751 -29.093 1.00 53.14 H new ATOM 245 N GLY A 17 6.375 25.495 -26.909 1.00 70.41 N ATOM 246 CA GLY A 17 5.545 26.705 -26.890 1.00 60.11 C ATOM 247 C GLY A 17 6.204 27.861 -27.659 1.00 30.04 C ATOM 248 O GLY A 17 7.207 27.709 -28.347 1.00 22.53 O ATOM 0 H GLY A 17 6.077 24.780 -27.572 1.00 70.41 H new ATOM 0 HA2 GLY A 17 4.572 26.485 -27.328 1.00 60.11 H new ATOM 0 HA3 GLY A 17 5.369 27.009 -25.858 1.00 60.11 H new ATOM 252 N SER A 18 5.555 29.009 -27.513 1.00 31.44 N ATOM 253 CA SER A 18 5.924 30.177 -28.358 1.00 20.12 C ATOM 254 C SER A 18 6.939 31.057 -27.630 1.00 62.35 C ATOM 255 O SER A 18 7.378 32.127 -28.083 1.00 22.42 O ATOM 256 CB SER A 18 4.669 30.937 -28.775 1.00 64.53 C ATOM 257 OG SER A 18 3.881 31.298 -27.639 1.00 15.35 O ATOM 0 H SER A 18 4.797 29.172 -26.850 1.00 31.44 H new ATOM 0 HA SER A 18 6.406 29.834 -29.273 1.00 20.12 H new ATOM 0 HB2 SER A 18 4.951 31.835 -29.325 1.00 64.53 H new ATOM 0 HB3 SER A 18 4.076 30.321 -29.451 1.00 64.53 H new ATOM 0 HG SER A 18 3.084 31.785 -27.935 1.00 15.35 H new ATOM 263 N GLY A 19 7.271 30.531 -26.524 1.00 73.22 N ATOM 264 CA GLY A 19 8.368 31.059 -25.818 1.00 64.02 C ATOM 265 C GLY A 19 8.049 32.153 -24.883 1.00 1.11 C ATOM 266 O GLY A 19 7.203 33.012 -25.140 1.00 44.51 O ATOM 0 H GLY A 19 6.804 29.738 -26.085 1.00 73.22 H new ATOM 0 HA2 GLY A 19 8.841 30.252 -25.259 1.00 64.02 H new ATOM 0 HA3 GLY A 19 9.102 31.421 -26.538 1.00 64.02 H new ATOM 270 N THR A 20 8.672 32.076 -23.778 1.00 62.04 N ATOM 271 CA THR A 20 8.689 33.052 -22.773 1.00 15.13 C ATOM 272 C THR A 20 9.988 32.910 -21.976 1.00 10.52 C ATOM 273 O THR A 20 10.788 33.839 -21.934 1.00 24.11 O ATOM 274 CB THR A 20 7.365 32.941 -21.965 1.00 5.34 C ATOM 275 OG1 THR A 20 6.157 33.314 -22.610 1.00 74.04 O ATOM 276 CG2 THR A 20 7.160 31.579 -21.266 1.00 1.22 C ATOM 0 H THR A 20 9.231 31.258 -23.534 1.00 62.04 H new ATOM 0 HA THR A 20 8.707 34.072 -23.156 1.00 15.13 H new ATOM 0 HB THR A 20 7.553 33.719 -21.225 1.00 5.34 H new ATOM 0 HG1 THR A 20 6.319 33.424 -23.570 1.00 74.04 H new ATOM 0 HG21 THR A 20 6.214 31.586 -20.725 1.00 1.22 H new ATOM 0 HG22 THR A 20 7.145 30.785 -22.013 1.00 1.22 H new ATOM 0 HG23 THR A 20 7.976 31.403 -20.566 1.00 1.22 H new ATOM 284 N LYS A 21 10.205 31.793 -21.390 1.00 72.51 N ATOM 285 CA LYS A 21 11.515 31.581 -20.821 1.00 21.02 C ATOM 286 C LYS A 21 12.190 30.433 -21.532 1.00 2.04 C ATOM 287 O LYS A 21 11.909 29.278 -21.254 1.00 12.41 O ATOM 288 CB LYS A 21 11.479 31.372 -19.304 1.00 12.32 C ATOM 289 CG LYS A 21 11.027 32.588 -18.523 1.00 65.42 C ATOM 290 CD LYS A 21 11.063 32.328 -17.034 1.00 5.44 C ATOM 291 CE LYS A 21 10.737 33.582 -16.235 1.00 61.02 C ATOM 292 NZ LYS A 21 11.759 34.638 -16.409 1.00 40.12 N ATOM 0 H LYS A 21 9.536 31.030 -21.285 1.00 72.51 H new ATOM 0 HA LYS A 21 12.100 32.488 -20.973 1.00 21.02 H new ATOM 0 HB2 LYS A 21 10.812 30.540 -19.078 1.00 12.32 H new ATOM 0 HB3 LYS A 21 12.474 31.084 -18.964 1.00 12.32 H new ATOM 0 HG2 LYS A 21 11.669 33.436 -18.762 1.00 65.42 H new ATOM 0 HG3 LYS A 21 10.015 32.860 -18.823 1.00 65.42 H new ATOM 0 HD2 LYS A 21 10.350 31.542 -16.785 1.00 5.44 H new ATOM 0 HD3 LYS A 21 12.051 31.964 -16.752 1.00 5.44 H new ATOM 0 HE2 LYS A 21 9.765 33.965 -16.545 1.00 61.02 H new ATOM 0 HE3 LYS A 21 10.657 33.327 -15.178 1.00 61.02 H new ATOM 0 HZ1 LYS A 21 11.631 35.368 -15.680 1.00 40.12 H new ATOM 0 HZ2 LYS A 21 12.708 34.221 -16.319 1.00 40.12 H new ATOM 0 HZ3 LYS A 21 11.658 35.068 -17.351 1.00 40.12 H new ATOM 306 N PRO A 22 13.076 30.748 -22.489 1.00 20.53 N ATOM 307 CA PRO A 22 13.821 29.761 -23.258 1.00 71.21 C ATOM 308 C PRO A 22 14.984 29.236 -22.454 1.00 62.43 C ATOM 309 O PRO A 22 15.981 29.949 -22.225 1.00 40.51 O ATOM 310 CB PRO A 22 14.329 30.558 -24.479 1.00 61.00 C ATOM 311 CG PRO A 22 13.689 31.906 -24.369 1.00 60.45 C ATOM 312 CD PRO A 22 13.419 32.105 -22.917 1.00 75.14 C ATOM 0 HA PRO A 22 13.219 28.896 -23.535 1.00 71.21 H new ATOM 0 HB2 PRO A 22 15.416 30.638 -24.471 1.00 61.00 H new ATOM 0 HB3 PRO A 22 14.052 30.067 -25.412 1.00 61.00 H new ATOM 0 HG2 PRO A 22 14.347 32.685 -24.756 1.00 60.45 H new ATOM 0 HG3 PRO A 22 12.767 31.951 -24.949 1.00 60.45 H new ATOM 0 HD2 PRO A 22 14.290 32.493 -22.388 1.00 75.14 H new ATOM 0 HD3 PRO A 22 12.603 32.807 -22.745 1.00 75.14 H new ATOM 320 N GLU A 23 14.874 28.024 -22.016 1.00 63.52 N ATOM 321 CA GLU A 23 15.848 27.423 -21.159 1.00 52.03 C ATOM 322 C GLU A 23 16.140 26.023 -21.665 1.00 4.24 C ATOM 323 O GLU A 23 15.429 25.520 -22.561 1.00 32.15 O ATOM 324 CB GLU A 23 15.293 27.361 -19.733 1.00 5.15 C ATOM 325 CG GLU A 23 14.996 28.728 -19.117 1.00 71.43 C ATOM 326 CD GLU A 23 14.478 28.626 -17.712 1.00 21.13 C ATOM 327 OE1 GLU A 23 15.257 28.249 -16.815 1.00 71.53 O ATOM 328 OE2 GLU A 23 13.281 28.893 -17.472 1.00 60.05 O ATOM 0 H GLU A 23 14.092 27.412 -22.247 1.00 63.52 H new ATOM 0 HA GLU A 23 16.767 28.009 -21.157 1.00 52.03 H new ATOM 0 HB2 GLU A 23 14.377 26.770 -19.737 1.00 5.15 H new ATOM 0 HB3 GLU A 23 16.008 26.837 -19.099 1.00 5.15 H new ATOM 0 HG2 GLU A 23 15.904 29.330 -19.123 1.00 71.43 H new ATOM 0 HG3 GLU A 23 14.264 29.249 -19.734 1.00 71.43 H new ATOM 335 N GLN A 24 17.143 25.388 -21.089 1.00 1.55 N ATOM 336 CA GLN A 24 17.443 24.019 -21.390 1.00 33.41 C ATOM 337 C GLN A 24 16.680 23.211 -20.453 1.00 4.13 C ATOM 338 O GLN A 24 16.662 23.526 -19.261 1.00 22.44 O ATOM 339 CB GLN A 24 18.910 23.670 -21.321 1.00 2.43 C ATOM 340 CG GLN A 24 19.737 24.433 -22.295 1.00 21.31 C ATOM 341 CD GLN A 24 20.027 25.846 -21.812 1.00 23.41 C ATOM 342 OE1 GLN A 24 20.115 26.099 -20.609 1.00 53.04 O ATOM 343 NE2 GLN A 24 20.152 26.773 -22.711 1.00 22.52 N ATOM 0 H GLN A 24 17.766 25.814 -20.402 1.00 1.55 H new ATOM 0 HA GLN A 24 17.169 23.825 -22.427 1.00 33.41 H new ATOM 0 HB2 GLN A 24 19.276 23.863 -20.313 1.00 2.43 H new ATOM 0 HB3 GLN A 24 19.033 22.603 -21.506 1.00 2.43 H new ATOM 0 HG2 GLN A 24 20.677 23.907 -22.463 1.00 21.31 H new ATOM 0 HG3 GLN A 24 19.220 24.476 -23.254 1.00 21.31 H new ATOM 0 HE21 GLN A 24 20.075 26.538 -23.700 1.00 22.52 H new ATOM 0 HE22 GLN A 24 20.327 27.737 -22.428 1.00 22.52 H new ATOM 352 N ARG A 25 16.086 22.196 -20.902 1.00 3.21 N ATOM 353 CA ARG A 25 15.502 21.236 -20.013 1.00 43.20 C ATOM 354 C ARG A 25 15.895 19.906 -20.515 1.00 42.20 C ATOM 355 O ARG A 25 16.605 19.838 -21.493 1.00 44.23 O ATOM 356 CB ARG A 25 14.038 21.323 -19.996 1.00 31.11 C ATOM 357 CG ARG A 25 13.458 22.644 -19.534 1.00 12.13 C ATOM 358 CD ARG A 25 13.850 23.030 -18.122 1.00 33.55 C ATOM 359 NE ARG A 25 12.993 24.129 -17.642 1.00 34.01 N ATOM 360 CZ ARG A 25 13.416 25.315 -17.206 1.00 12.20 C ATOM 361 NH1 ARG A 25 14.694 25.509 -16.900 1.00 1.22 N ATOM 362 NH2 ARG A 25 12.535 26.287 -17.000 1.00 10.21 N ATOM 0 H ARG A 25 15.977 21.984 -21.894 1.00 3.21 H new ATOM 0 HA ARG A 25 15.849 21.421 -18.996 1.00 43.20 H new ATOM 0 HB2 ARG A 25 13.670 21.119 -21.001 1.00 31.11 H new ATOM 0 HB3 ARG A 25 13.654 20.534 -19.349 1.00 31.11 H new ATOM 0 HG2 ARG A 25 13.781 23.430 -20.217 1.00 12.13 H new ATOM 0 HG3 ARG A 25 12.371 22.594 -19.597 1.00 12.13 H new ATOM 0 HD2 ARG A 25 13.754 22.168 -17.461 1.00 33.55 H new ATOM 0 HD3 ARG A 25 14.896 23.336 -18.097 1.00 33.55 H new ATOM 0 HE ARG A 25 11.986 23.967 -17.644 1.00 34.01 H new ATOM 0 HH11 ARG A 25 15.363 24.746 -16.998 1.00 1.22 H new ATOM 0 HH12 ARG A 25 15.006 26.421 -16.567 1.00 1.22 H new ATOM 0 HH21 ARG A 25 11.544 26.122 -17.175 1.00 10.21 H new ATOM 0 HH22 ARG A 25 12.850 27.198 -16.666 1.00 10.21 H new ATOM 376 N ILE A 26 15.401 18.858 -19.921 1.00 51.05 N ATOM 377 CA ILE A 26 15.885 17.542 -20.211 1.00 33.04 C ATOM 378 C ILE A 26 14.686 16.542 -20.216 1.00 40.13 C ATOM 379 O ILE A 26 13.826 16.642 -19.379 1.00 51.12 O ATOM 380 CB ILE A 26 16.855 17.130 -19.047 1.00 72.31 C ATOM 381 CG1 ILE A 26 17.934 18.186 -18.812 1.00 1.33 C ATOM 382 CG2 ILE A 26 17.553 15.847 -19.391 1.00 4.02 C ATOM 383 CD1 ILE A 26 18.565 18.098 -17.457 1.00 4.43 C ATOM 0 H ILE A 26 14.655 18.892 -19.226 1.00 51.05 H new ATOM 0 HA ILE A 26 16.387 17.525 -21.178 1.00 33.04 H new ATOM 0 HB ILE A 26 16.246 17.022 -18.149 1.00 72.31 H new ATOM 0 HG12 ILE A 26 18.707 18.080 -19.573 1.00 1.33 H new ATOM 0 HG13 ILE A 26 17.497 19.176 -18.938 1.00 1.33 H new ATOM 0 HG21 ILE A 26 18.224 15.569 -18.578 1.00 4.02 H new ATOM 0 HG22 ILE A 26 16.814 15.059 -19.538 1.00 4.02 H new ATOM 0 HG23 ILE A 26 18.129 15.980 -20.307 1.00 4.02 H new ATOM 0 HD11 ILE A 26 19.322 18.876 -17.357 1.00 4.43 H new ATOM 0 HD12 ILE A 26 17.802 18.233 -16.691 1.00 4.43 H new ATOM 0 HD13 ILE A 26 19.032 17.120 -17.336 1.00 4.43 H new ATOM 395 N TYR A 27 14.602 15.660 -21.178 1.00 11.32 N ATOM 396 CA TYR A 27 13.411 14.829 -21.360 1.00 5.23 C ATOM 397 C TYR A 27 13.896 13.451 -21.808 1.00 52.42 C ATOM 398 O TYR A 27 14.991 13.325 -22.368 1.00 22.45 O ATOM 399 CB TYR A 27 12.482 15.445 -22.439 1.00 60.10 C ATOM 400 CG TYR A 27 12.997 15.427 -23.863 1.00 44.52 C ATOM 401 CD1 TYR A 27 13.856 16.395 -24.350 1.00 70.43 C ATOM 402 CD2 TYR A 27 12.590 14.422 -24.729 1.00 72.21 C ATOM 403 CE1 TYR A 27 14.295 16.346 -25.653 1.00 22.51 C ATOM 404 CE2 TYR A 27 13.025 14.380 -26.024 1.00 42.42 C ATOM 405 CZ TYR A 27 13.878 15.343 -26.477 1.00 13.54 C ATOM 406 OH TYR A 27 14.304 15.318 -27.778 1.00 51.31 O ATOM 0 H TYR A 27 15.342 15.488 -21.858 1.00 11.32 H new ATOM 0 HA TYR A 27 12.841 14.761 -20.434 1.00 5.23 H new ATOM 0 HB2 TYR A 27 11.530 14.914 -22.413 1.00 60.10 H new ATOM 0 HB3 TYR A 27 12.277 16.479 -22.163 1.00 60.10 H new ATOM 0 HD1 TYR A 27 14.185 17.195 -23.703 1.00 70.43 H new ATOM 0 HD2 TYR A 27 11.916 13.657 -24.372 1.00 72.21 H new ATOM 0 HE1 TYR A 27 14.971 17.103 -26.023 1.00 22.51 H new ATOM 0 HE2 TYR A 27 12.696 13.591 -26.683 1.00 42.42 H new ATOM 0 HH TYR A 27 13.919 14.540 -28.233 1.00 51.31 H new ATOM 416 N TYR A 28 13.109 12.416 -21.566 1.00 51.00 N ATOM 417 CA TYR A 28 13.501 11.062 -21.871 1.00 72.25 C ATOM 418 C TYR A 28 13.177 10.736 -23.339 1.00 50.21 C ATOM 419 O TYR A 28 12.125 11.082 -23.878 1.00 42.40 O ATOM 420 CB TYR A 28 12.875 10.069 -20.862 1.00 71.01 C ATOM 421 CG TYR A 28 13.065 8.565 -21.094 1.00 65.13 C ATOM 422 CD1 TYR A 28 14.134 7.882 -20.574 1.00 24.22 C ATOM 423 CD2 TYR A 28 12.092 7.832 -21.733 1.00 35.45 C ATOM 424 CE1 TYR A 28 14.216 6.507 -20.678 1.00 34.34 C ATOM 425 CE2 TYR A 28 12.173 6.474 -21.865 1.00 33.14 C ATOM 426 CZ TYR A 28 13.233 5.817 -21.324 1.00 15.41 C ATOM 427 OH TYR A 28 13.286 4.445 -21.383 1.00 0.23 O ATOM 0 H TYR A 28 12.180 12.497 -21.152 1.00 51.00 H new ATOM 0 HA TYR A 28 14.580 10.958 -21.760 1.00 72.25 H new ATOM 0 HB2 TYR A 28 13.275 10.304 -19.876 1.00 71.01 H new ATOM 0 HB3 TYR A 28 11.803 10.265 -20.827 1.00 71.01 H new ATOM 0 HD1 TYR A 28 14.923 8.426 -20.076 1.00 24.22 H new ATOM 0 HD2 TYR A 28 11.236 8.346 -22.144 1.00 35.45 H new ATOM 0 HE1 TYR A 28 15.056 5.980 -20.249 1.00 34.34 H new ATOM 0 HE2 TYR A 28 11.404 5.929 -22.393 1.00 33.14 H new ATOM 0 HH TYR A 28 12.424 4.072 -21.103 1.00 0.23 H new ATOM 437 N ASN A 29 14.141 10.175 -23.947 1.00 62.21 N ATOM 438 CA ASN A 29 13.957 9.747 -25.322 1.00 1.40 C ATOM 439 C ASN A 29 13.106 8.517 -25.342 1.00 24.13 C ATOM 440 O ASN A 29 13.285 7.595 -24.578 1.00 51.12 O ATOM 441 CB ASN A 29 15.254 9.432 -26.001 1.00 43.05 C ATOM 442 CG ASN A 29 16.160 10.590 -26.182 1.00 70.12 C ATOM 443 OD1 ASN A 29 17.351 10.423 -26.168 1.00 41.32 O ATOM 444 ND2 ASN A 29 15.613 11.748 -26.408 1.00 54.44 N ATOM 0 H ASN A 29 15.061 9.991 -23.548 1.00 62.21 H new ATOM 0 HA ASN A 29 13.484 10.570 -25.858 1.00 1.40 H new ATOM 0 HB2 ASN A 29 15.774 8.669 -25.422 1.00 43.05 H new ATOM 0 HB3 ASN A 29 15.040 9.000 -26.979 1.00 43.05 H new ATOM 0 HD21 ASN A 29 16.200 12.564 -26.583 1.00 54.44 H new ATOM 0 HD22 ASN A 29 14.597 11.841 -26.410 1.00 54.44 H new ATOM 451 N SER A 30 12.275 8.503 -26.366 1.00 2.44 N ATOM 452 CA SER A 30 11.157 7.585 -26.556 1.00 43.14 C ATOM 453 C SER A 30 11.765 6.312 -27.193 1.00 64.42 C ATOM 454 O SER A 30 11.768 5.226 -26.614 1.00 63.05 O ATOM 455 CB SER A 30 10.178 8.240 -27.547 1.00 35.25 C ATOM 456 OG SER A 30 9.803 9.537 -27.098 1.00 1.21 O ATOM 0 H SER A 30 12.363 9.168 -27.134 1.00 2.44 H new ATOM 0 HA SER A 30 10.633 7.352 -25.629 1.00 43.14 H new ATOM 0 HB2 SER A 30 10.641 8.310 -28.531 1.00 35.25 H new ATOM 0 HB3 SER A 30 9.291 7.616 -27.656 1.00 35.25 H new ATOM 0 HG SER A 30 9.037 9.464 -26.491 1.00 1.21 H new ATOM 462 N ALA A 31 12.269 6.517 -28.424 1.00 31.10 N ATOM 463 CA ALA A 31 13.021 5.478 -29.156 1.00 73.54 C ATOM 464 C ALA A 31 14.214 5.012 -28.318 1.00 62.41 C ATOM 465 O ALA A 31 14.343 3.862 -27.918 1.00 24.22 O ATOM 466 CB ALA A 31 13.478 5.998 -30.512 1.00 12.41 C ATOM 0 H ALA A 31 12.169 7.394 -28.934 1.00 31.10 H new ATOM 0 HA ALA A 31 12.365 4.626 -29.332 1.00 73.54 H new ATOM 0 HB1 ALA A 31 14.030 5.216 -31.034 1.00 12.41 H new ATOM 0 HB2 ALA A 31 12.609 6.285 -31.103 1.00 12.41 H new ATOM 0 HB3 ALA A 31 14.123 6.865 -30.371 1.00 12.41 H new ATOM 472 N LYS A 32 15.043 6.003 -28.042 1.00 34.32 N ATOM 473 CA LYS A 32 16.450 5.814 -27.646 1.00 50.45 C ATOM 474 C LYS A 32 16.679 5.500 -26.186 1.00 62.13 C ATOM 475 O LYS A 32 17.736 5.015 -25.772 1.00 33.32 O ATOM 476 CB LYS A 32 17.218 7.101 -27.890 1.00 45.31 C ATOM 477 CG LYS A 32 17.094 7.664 -29.266 1.00 71.30 C ATOM 478 CD LYS A 32 18.026 8.835 -29.436 1.00 51.34 C ATOM 479 CE LYS A 32 17.832 9.517 -30.774 1.00 2.51 C ATOM 480 NZ LYS A 32 18.747 10.659 -30.945 1.00 53.12 N ATOM 0 H LYS A 32 14.764 6.983 -28.084 1.00 34.32 H new ATOM 0 HA LYS A 32 16.780 4.963 -28.241 1.00 50.45 H new ATOM 0 HB2 LYS A 32 16.876 7.850 -27.176 1.00 45.31 H new ATOM 0 HB3 LYS A 32 18.273 6.921 -27.682 1.00 45.31 H new ATOM 0 HG2 LYS A 32 17.326 6.895 -30.003 1.00 71.30 H new ATOM 0 HG3 LYS A 32 16.066 7.979 -29.446 1.00 71.30 H new ATOM 0 HD2 LYS A 32 17.857 9.553 -28.634 1.00 51.34 H new ATOM 0 HD3 LYS A 32 19.058 8.495 -29.347 1.00 51.34 H new ATOM 0 HE2 LYS A 32 17.996 8.797 -31.576 1.00 2.51 H new ATOM 0 HE3 LYS A 32 16.801 9.861 -30.860 1.00 2.51 H new ATOM 0 HZ1 LYS A 32 18.583 11.099 -31.873 1.00 53.12 H new ATOM 0 HZ2 LYS A 32 18.574 11.358 -30.195 1.00 53.12 H new ATOM 0 HZ3 LYS A 32 19.731 10.327 -30.888 1.00 53.12 H new ATOM 494 N LYS A 33 15.605 5.763 -25.449 1.00 23.43 N ATOM 495 CA LYS A 33 15.542 5.502 -24.024 1.00 64.43 C ATOM 496 C LYS A 33 16.701 6.148 -23.268 1.00 10.04 C ATOM 497 O LYS A 33 17.365 5.532 -22.462 1.00 73.54 O ATOM 498 CB LYS A 33 15.438 4.014 -23.771 1.00 3.35 C ATOM 499 CG LYS A 33 14.146 3.484 -24.300 1.00 2.51 C ATOM 500 CD LYS A 33 13.823 2.130 -23.769 1.00 3.20 C ATOM 501 CE LYS A 33 12.338 2.037 -23.666 1.00 51.31 C ATOM 502 NZ LYS A 33 11.888 0.768 -23.045 1.00 23.13 N ATOM 0 H LYS A 33 14.750 6.166 -25.831 1.00 23.43 H new ATOM 0 HA LYS A 33 14.640 5.970 -23.630 1.00 64.43 H new ATOM 0 HB2 LYS A 33 16.272 3.499 -24.248 1.00 3.35 H new ATOM 0 HB3 LYS A 33 15.509 3.815 -22.702 1.00 3.35 H new ATOM 0 HG2 LYS A 33 13.342 4.173 -24.042 1.00 2.51 H new ATOM 0 HG3 LYS A 33 14.193 3.442 -25.388 1.00 2.51 H new ATOM 0 HD2 LYS A 33 14.212 1.355 -24.430 1.00 3.20 H new ATOM 0 HD3 LYS A 33 14.286 1.979 -22.794 1.00 3.20 H new ATOM 0 HE2 LYS A 33 11.965 2.877 -23.079 1.00 51.31 H new ATOM 0 HE3 LYS A 33 11.902 2.125 -24.661 1.00 51.31 H new ATOM 0 HZ1 LYS A 33 10.849 0.754 -22.997 1.00 23.13 H new ATOM 0 HZ2 LYS A 33 12.219 -0.035 -23.617 1.00 23.13 H new ATOM 0 HZ3 LYS A 33 12.280 0.694 -22.084 1.00 23.13 H new ATOM 516 N GLN A 34 16.921 7.396 -23.593 1.00 2.31 N ATOM 517 CA GLN A 34 17.968 8.237 -23.017 1.00 64.13 C ATOM 518 C GLN A 34 17.299 9.434 -22.381 1.00 71.45 C ATOM 519 O GLN A 34 16.101 9.487 -22.313 1.00 44.22 O ATOM 520 CB GLN A 34 18.957 8.691 -24.102 1.00 0.10 C ATOM 521 CG GLN A 34 19.772 7.571 -24.726 1.00 72.11 C ATOM 522 CD GLN A 34 20.757 6.963 -23.746 1.00 72.52 C ATOM 523 OE1 GLN A 34 20.447 6.006 -23.027 1.00 42.41 O ATOM 524 NE2 GLN A 34 21.942 7.504 -23.704 1.00 10.32 N ATOM 0 H GLN A 34 16.361 7.884 -24.292 1.00 2.31 H new ATOM 0 HA GLN A 34 18.533 7.676 -22.272 1.00 64.13 H new ATOM 0 HB2 GLN A 34 18.402 9.201 -24.890 1.00 0.10 H new ATOM 0 HB3 GLN A 34 19.640 9.422 -23.669 1.00 0.10 H new ATOM 0 HG2 GLN A 34 19.099 6.795 -25.091 1.00 72.11 H new ATOM 0 HG3 GLN A 34 20.313 7.956 -25.590 1.00 72.11 H new ATOM 0 HE21 GLN A 34 22.164 8.293 -24.311 1.00 10.32 H new ATOM 0 HE22 GLN A 34 22.647 7.139 -23.064 1.00 10.32 H new ATOM 533 N CYS A 35 18.067 10.399 -21.944 1.00 3.34 N ATOM 534 CA CYS A 35 17.439 11.578 -21.359 1.00 23.32 C ATOM 535 C CYS A 35 18.206 12.720 -21.917 1.00 11.32 C ATOM 536 O CYS A 35 19.329 12.975 -21.473 1.00 52.42 O ATOM 537 CB CYS A 35 17.462 11.588 -19.821 1.00 23.41 C ATOM 538 SG CYS A 35 16.498 12.967 -19.060 1.00 54.43 S ATOM 0 H CYS A 35 19.087 10.406 -21.974 1.00 3.34 H new ATOM 0 HA CYS A 35 16.378 11.614 -21.605 1.00 23.32 H new ATOM 0 HB2 CYS A 35 17.068 10.639 -19.457 1.00 23.41 H new ATOM 0 HB3 CYS A 35 18.497 11.654 -19.484 1.00 23.41 H new ATOM 543 N VAL A 36 17.684 13.393 -22.893 1.00 5.15 N ATOM 544 CA VAL A 36 18.431 14.422 -23.549 1.00 2.21 C ATOM 545 C VAL A 36 17.768 15.766 -23.300 1.00 62.55 C ATOM 546 O VAL A 36 16.675 15.824 -22.797 1.00 34.13 O ATOM 547 CB VAL A 36 18.491 14.184 -25.089 1.00 53.35 C ATOM 548 CG1 VAL A 36 19.015 12.811 -25.418 1.00 12.44 C ATOM 549 CG2 VAL A 36 17.133 14.358 -25.723 1.00 74.03 C ATOM 0 H VAL A 36 16.741 13.249 -23.255 1.00 5.15 H new ATOM 0 HA VAL A 36 19.444 14.408 -23.147 1.00 2.21 H new ATOM 0 HB VAL A 36 19.175 14.930 -25.493 1.00 53.35 H new ATOM 0 HG11 VAL A 36 19.042 12.682 -26.500 1.00 12.44 H new ATOM 0 HG12 VAL A 36 20.021 12.699 -25.013 1.00 12.44 H new ATOM 0 HG13 VAL A 36 18.361 12.057 -24.979 1.00 12.44 H new ATOM 0 HG21 VAL A 36 17.208 14.186 -26.797 1.00 74.03 H new ATOM 0 HG22 VAL A 36 16.434 13.643 -25.289 1.00 74.03 H new ATOM 0 HG23 VAL A 36 16.774 15.371 -25.542 1.00 74.03 H new ATOM 559 N THR A 37 18.441 16.826 -23.644 1.00 21.14 N ATOM 560 CA THR A 37 17.922 18.153 -23.460 1.00 71.44 C ATOM 561 C THR A 37 17.021 18.649 -24.589 1.00 5.22 C ATOM 562 O THR A 37 17.123 18.198 -25.744 1.00 51.52 O ATOM 563 CB THR A 37 19.067 19.166 -23.165 1.00 72.43 C ATOM 564 OG1 THR A 37 20.086 19.091 -24.182 1.00 64.21 O ATOM 565 CG2 THR A 37 19.675 18.896 -21.813 1.00 23.13 C ATOM 0 H THR A 37 19.371 16.795 -24.063 1.00 21.14 H new ATOM 0 HA THR A 37 17.271 18.086 -22.589 1.00 71.44 H new ATOM 0 HB THR A 37 18.640 20.169 -23.168 1.00 72.43 H new ATOM 0 HG1 THR A 37 20.796 19.735 -23.981 1.00 64.21 H new ATOM 0 HG21 THR A 37 20.474 19.613 -21.623 1.00 23.13 H new ATOM 0 HG22 THR A 37 18.909 18.994 -21.044 1.00 23.13 H new ATOM 0 HG23 THR A 37 20.083 17.885 -21.793 1.00 23.13 H new ATOM 573 N PHE A 38 16.164 19.608 -24.249 1.00 60.10 N ATOM 574 CA PHE A 38 15.259 20.179 -25.178 1.00 63.14 C ATOM 575 C PHE A 38 15.087 21.616 -24.854 1.00 43.23 C ATOM 576 O PHE A 38 15.386 22.078 -23.734 1.00 64.55 O ATOM 577 CB PHE A 38 13.881 19.568 -25.160 1.00 43.25 C ATOM 578 CG PHE A 38 13.023 19.785 -23.967 1.00 10.12 C ATOM 579 CD1 PHE A 38 13.139 19.069 -22.805 1.00 61.22 C ATOM 580 CD2 PHE A 38 12.044 20.728 -24.070 1.00 62.42 C ATOM 581 CE1 PHE A 38 12.279 19.310 -21.767 1.00 60.32 C ATOM 582 CE2 PHE A 38 11.192 20.989 -23.065 1.00 21.15 C ATOM 583 CZ PHE A 38 11.301 20.282 -21.897 1.00 31.22 C ATOM 0 H PHE A 38 16.096 19.997 -23.309 1.00 60.10 H new ATOM 0 HA PHE A 38 15.694 20.001 -26.162 1.00 63.14 H new ATOM 0 HB2 PHE A 38 13.341 19.944 -26.029 1.00 43.25 H new ATOM 0 HB3 PHE A 38 13.994 18.492 -25.295 1.00 43.25 H new ATOM 0 HD1 PHE A 38 13.907 18.316 -22.708 1.00 61.22 H new ATOM 0 HD2 PHE A 38 11.950 21.284 -24.991 1.00 62.42 H new ATOM 0 HE1 PHE A 38 12.363 18.744 -20.851 1.00 60.32 H new ATOM 0 HE2 PHE A 38 10.431 21.747 -23.176 1.00 21.15 H new ATOM 0 HZ PHE A 38 10.625 20.482 -21.079 1.00 31.22 H new ATOM 593 N THR A 39 14.646 22.294 -25.826 1.00 61.22 N ATOM 594 CA THR A 39 14.346 23.688 -25.771 1.00 42.32 C ATOM 595 C THR A 39 12.991 23.865 -25.069 1.00 45.32 C ATOM 596 O THR A 39 11.952 23.470 -25.588 1.00 4.23 O ATOM 597 CB THR A 39 14.108 24.158 -27.194 1.00 35.44 C ATOM 598 OG1 THR A 39 15.237 23.787 -28.028 1.00 51.01 O ATOM 599 CG2 THR A 39 13.924 25.670 -27.245 1.00 22.23 C ATOM 0 H THR A 39 14.468 21.884 -26.743 1.00 61.22 H new ATOM 0 HA THR A 39 15.150 24.224 -25.267 1.00 42.32 H new ATOM 0 HB THR A 39 13.200 23.681 -27.562 1.00 35.44 H new ATOM 0 HG1 THR A 39 15.079 24.091 -28.946 1.00 51.01 H new ATOM 0 HG21 THR A 39 13.755 25.981 -28.276 1.00 22.23 H new ATOM 0 HG22 THR A 39 13.066 25.953 -26.635 1.00 22.23 H new ATOM 0 HG23 THR A 39 14.819 26.159 -26.861 1.00 22.23 H new ATOM 607 N TYR A 40 13.026 24.428 -23.908 1.00 12.31 N ATOM 608 CA TYR A 40 11.792 24.635 -23.202 1.00 31.14 C ATOM 609 C TYR A 40 11.499 26.081 -23.143 1.00 61.12 C ATOM 610 O TYR A 40 12.241 26.834 -22.526 1.00 74.42 O ATOM 611 CB TYR A 40 11.866 24.037 -21.810 1.00 32.54 C ATOM 612 CG TYR A 40 10.604 24.108 -20.918 1.00 21.22 C ATOM 613 CD1 TYR A 40 10.409 25.183 -20.063 1.00 25.50 C ATOM 614 CD2 TYR A 40 9.638 23.071 -20.892 1.00 15.10 C ATOM 615 CE1 TYR A 40 9.317 25.243 -19.222 1.00 20.30 C ATOM 616 CE2 TYR A 40 8.544 23.143 -20.055 1.00 23.22 C ATOM 617 CZ TYR A 40 8.389 24.225 -19.223 1.00 62.34 C ATOM 618 OH TYR A 40 7.304 24.282 -18.365 1.00 24.05 O ATOM 0 H TYR A 40 13.869 24.748 -23.431 1.00 12.31 H new ATOM 0 HA TYR A 40 10.984 24.132 -23.733 1.00 31.14 H new ATOM 0 HB2 TYR A 40 12.143 22.988 -21.912 1.00 32.54 H new ATOM 0 HB3 TYR A 40 12.679 24.531 -21.278 1.00 32.54 H new ATOM 0 HD1 TYR A 40 11.127 25.990 -20.056 1.00 25.50 H new ATOM 0 HD2 TYR A 40 9.760 22.213 -21.536 1.00 15.10 H new ATOM 0 HE1 TYR A 40 9.190 26.089 -18.562 1.00 20.30 H new ATOM 0 HE2 TYR A 40 7.811 22.350 -20.054 1.00 23.22 H new ATOM 0 HH TYR A 40 6.745 23.487 -18.492 1.00 24.05 H new ATOM 628 N ASN A 41 10.516 26.493 -23.885 1.00 12.11 N ATOM 629 CA ASN A 41 10.163 27.860 -23.949 1.00 41.03 C ATOM 630 C ASN A 41 9.163 28.199 -22.889 1.00 70.52 C ATOM 631 O ASN A 41 9.059 29.360 -22.493 1.00 65.45 O ATOM 632 CB ASN A 41 9.719 28.267 -25.341 1.00 54.53 C ATOM 633 CG ASN A 41 10.817 28.210 -26.387 1.00 2.21 C ATOM 634 OD1 ASN A 41 12.027 28.495 -25.988 1.00 21.21 O flip ATOM 635 ND2 ASN A 41 10.565 27.935 -27.550 1.00 41.12 N flip ATOM 0 H ASN A 41 9.940 25.880 -24.462 1.00 12.11 H new ATOM 0 HA ASN A 41 11.055 28.452 -23.743 1.00 41.03 H new ATOM 0 HB2 ASN A 41 8.901 27.618 -25.653 1.00 54.53 H new ATOM 0 HB3 ASN A 41 9.323 29.282 -25.301 1.00 54.53 H new ATOM 0 HD21 ASN A 41 9.608 27.717 -27.827 1.00 41.12 H new ATOM 0 HD22 ASN A 41 11.312 27.923 -28.245 1.00 41.12 H new ATOM 642 N GLY A 42 8.389 27.209 -22.456 1.00 23.34 N ATOM 643 CA GLY A 42 7.650 27.399 -21.251 1.00 70.45 C ATOM 644 C GLY A 42 6.173 27.638 -21.353 1.00 50.20 C ATOM 645 O GLY A 42 5.587 28.091 -20.363 1.00 34.33 O ATOM 0 H GLY A 42 8.270 26.305 -22.914 1.00 23.34 H new ATOM 0 HA2 GLY A 42 7.802 26.519 -20.626 1.00 70.45 H new ATOM 0 HA3 GLY A 42 8.088 28.246 -20.722 1.00 70.45 H new ATOM 649 N LYS A 43 5.511 27.387 -22.472 1.00 24.34 N ATOM 650 CA LYS A 43 4.105 27.693 -22.597 1.00 32.14 C ATOM 651 C LYS A 43 3.345 26.492 -23.204 1.00 11.11 C ATOM 652 O LYS A 43 3.385 25.367 -22.699 1.00 3.12 O ATOM 653 CB LYS A 43 3.927 28.914 -23.563 1.00 24.43 C ATOM 654 CG LYS A 43 4.723 30.157 -23.267 1.00 22.41 C ATOM 655 CD LYS A 43 4.126 31.376 -23.965 1.00 73.55 C ATOM 656 CE LYS A 43 2.743 31.704 -23.416 1.00 40.43 C ATOM 657 NZ LYS A 43 2.180 32.945 -23.990 1.00 41.31 N ATOM 0 H LYS A 43 5.930 26.972 -23.304 1.00 24.34 H new ATOM 0 HA LYS A 43 3.710 27.918 -21.606 1.00 32.14 H new ATOM 0 HB2 LYS A 43 4.180 28.585 -24.571 1.00 24.43 H new ATOM 0 HB3 LYS A 43 2.871 29.185 -23.572 1.00 24.43 H new ATOM 0 HG2 LYS A 43 4.749 30.328 -22.191 1.00 22.41 H new ATOM 0 HG3 LYS A 43 5.754 30.017 -23.592 1.00 22.41 H new ATOM 0 HD2 LYS A 43 4.786 32.234 -23.832 1.00 73.55 H new ATOM 0 HD3 LYS A 43 4.059 31.188 -25.037 1.00 73.55 H new ATOM 0 HE2 LYS A 43 2.068 30.874 -23.624 1.00 40.43 H new ATOM 0 HE3 LYS A 43 2.801 31.804 -22.332 1.00 40.43 H new ATOM 0 HZ1 LYS A 43 1.239 33.120 -23.582 1.00 41.31 H new ATOM 0 HZ2 LYS A 43 2.807 33.745 -23.770 1.00 41.31 H new ATOM 0 HZ3 LYS A 43 2.097 32.844 -25.022 1.00 41.31 H new ATOM 671 N GLY A 44 2.638 26.868 -24.245 1.00 4.34 N ATOM 672 CA GLY A 44 1.899 25.956 -25.120 1.00 33.42 C ATOM 673 C GLY A 44 2.274 24.482 -25.181 1.00 11.23 C ATOM 674 O GLY A 44 3.401 24.113 -25.540 1.00 41.40 O ATOM 0 H GLY A 44 2.552 27.845 -24.524 1.00 4.34 H new ATOM 0 HA2 GLY A 44 0.849 26.011 -24.831 1.00 33.42 H new ATOM 0 HA3 GLY A 44 1.972 26.350 -26.134 1.00 33.42 H new ATOM 678 N GLY A 45 1.261 23.669 -24.914 1.00 63.50 N ATOM 679 CA GLY A 45 1.386 22.249 -25.098 1.00 74.53 C ATOM 680 C GLY A 45 1.950 21.482 -23.898 1.00 10.31 C ATOM 681 O GLY A 45 1.905 21.940 -22.749 1.00 54.41 O ATOM 0 H GLY A 45 0.351 23.977 -24.571 1.00 63.50 H new ATOM 0 HA2 GLY A 45 0.404 21.842 -25.339 1.00 74.53 H new ATOM 0 HA3 GLY A 45 2.028 22.066 -25.960 1.00 74.53 H new ATOM 685 N ASN A 46 2.442 20.277 -24.224 1.00 22.43 N ATOM 686 CA ASN A 46 2.943 19.387 -23.139 1.00 4.40 C ATOM 687 C ASN A 46 4.181 19.778 -22.377 1.00 2.10 C ATOM 688 O ASN A 46 5.174 20.277 -22.893 1.00 21.23 O ATOM 689 CB ASN A 46 3.044 17.911 -23.593 1.00 75.25 C ATOM 690 CG ASN A 46 1.693 17.278 -23.908 1.00 14.01 C ATOM 691 OD1 ASN A 46 0.671 17.631 -23.322 1.00 64.35 O ATOM 692 ND2 ASN A 46 1.670 16.346 -24.829 1.00 43.32 N ATOM 0 H ASN A 46 2.507 19.902 -25.170 1.00 22.43 H new ATOM 0 HA ASN A 46 2.153 19.526 -22.401 1.00 4.40 H new ATOM 0 HB2 ASN A 46 3.678 17.854 -24.478 1.00 75.25 H new ATOM 0 HB3 ASN A 46 3.535 17.331 -22.811 1.00 75.25 H new ATOM 0 HD21 ASN A 46 0.789 15.894 -25.075 1.00 43.32 H new ATOM 0 HD22 ASN A 46 2.533 16.072 -25.299 1.00 43.32 H new ATOM 699 N GLY A 47 4.076 19.416 -21.100 1.00 22.22 N ATOM 700 CA GLY A 47 5.094 19.703 -20.133 1.00 51.23 C ATOM 701 C GLY A 47 6.026 18.565 -19.916 1.00 53.14 C ATOM 702 O GLY A 47 6.363 18.222 -18.776 1.00 3.25 O ATOM 0 H GLY A 47 3.273 18.914 -20.721 1.00 22.22 H new ATOM 0 HA2 GLY A 47 5.662 20.574 -20.459 1.00 51.23 H new ATOM 0 HA3 GLY A 47 4.624 19.966 -19.186 1.00 51.23 H new ATOM 706 N ASN A 48 6.373 17.936 -20.992 1.00 23.40 N ATOM 707 CA ASN A 48 7.420 16.944 -21.033 1.00 5.31 C ATOM 708 C ASN A 48 8.723 17.656 -20.810 1.00 42.30 C ATOM 709 O ASN A 48 9.335 18.119 -21.741 1.00 62.45 O ATOM 710 CB ASN A 48 7.386 16.233 -22.398 1.00 2.33 C ATOM 711 CG ASN A 48 8.546 15.282 -22.646 1.00 40.31 C ATOM 712 OD1 ASN A 48 9.521 15.646 -23.265 1.00 43.24 O ATOM 713 ND2 ASN A 48 8.472 14.096 -22.148 1.00 33.44 N ATOM 0 H ASN A 48 5.929 18.096 -21.896 1.00 23.40 H new ATOM 0 HA ASN A 48 7.290 16.184 -20.262 1.00 5.31 H new ATOM 0 HB2 ASN A 48 6.453 15.676 -22.479 1.00 2.33 H new ATOM 0 HB3 ASN A 48 7.377 16.987 -23.185 1.00 2.33 H new ATOM 0 HD21 ASN A 48 9.245 13.442 -22.272 1.00 33.44 H new ATOM 0 HD22 ASN A 48 7.641 13.811 -21.630 1.00 33.44 H new ATOM 720 N ASN A 49 9.088 17.830 -19.552 1.00 63.41 N ATOM 721 CA ASN A 49 10.202 18.557 -19.036 1.00 3.35 C ATOM 722 C ASN A 49 10.706 17.943 -17.737 1.00 10.53 C ATOM 723 O ASN A 49 9.921 17.754 -16.799 1.00 53.44 O ATOM 724 CB ASN A 49 9.692 19.965 -18.701 1.00 4.51 C ATOM 725 CG ASN A 49 10.686 20.819 -17.946 1.00 2.30 C ATOM 726 OD1 ASN A 49 11.868 20.652 -18.046 1.00 74.42 O ATOM 727 ND2 ASN A 49 10.184 21.735 -17.164 1.00 65.14 N ATOM 0 H ASN A 49 8.542 17.414 -18.797 1.00 63.41 H new ATOM 0 HA ASN A 49 11.009 18.552 -19.769 1.00 3.35 H new ATOM 0 HB2 ASN A 49 9.423 20.472 -19.628 1.00 4.51 H new ATOM 0 HB3 ASN A 49 8.781 19.878 -18.109 1.00 4.51 H new ATOM 0 HD21 ASN A 49 10.803 22.333 -16.616 1.00 65.14 H new ATOM 0 HD22 ASN A 49 9.173 21.853 -17.100 1.00 65.14 H new ATOM 734 N PHE A 50 11.966 17.576 -17.688 1.00 4.52 N ATOM 735 CA PHE A 50 12.620 17.259 -16.440 1.00 64.04 C ATOM 736 C PHE A 50 13.799 18.236 -16.391 1.00 74.43 C ATOM 737 O PHE A 50 14.519 18.366 -17.354 1.00 33.11 O ATOM 738 CB PHE A 50 13.084 15.745 -16.382 1.00 2.24 C ATOM 739 CG PHE A 50 11.950 14.806 -16.665 1.00 73.01 C ATOM 740 CD1 PHE A 50 11.012 14.517 -15.692 1.00 3.22 C ATOM 741 CD2 PHE A 50 11.803 14.243 -17.924 1.00 72.53 C ATOM 742 CE1 PHE A 50 9.947 13.686 -15.967 1.00 22.30 C ATOM 743 CE2 PHE A 50 10.746 13.407 -18.204 1.00 62.03 C ATOM 744 CZ PHE A 50 9.814 13.130 -17.225 1.00 31.34 C ATOM 0 H PHE A 50 12.564 17.489 -18.509 1.00 4.52 H new ATOM 0 HA PHE A 50 11.960 17.365 -15.579 1.00 64.04 H new ATOM 0 HB2 PHE A 50 13.882 15.581 -17.106 1.00 2.24 H new ATOM 0 HB3 PHE A 50 13.498 15.529 -15.397 1.00 2.24 H new ATOM 0 HD1 PHE A 50 11.114 14.946 -14.706 1.00 3.22 H new ATOM 0 HD2 PHE A 50 12.527 14.463 -18.694 1.00 72.53 H new ATOM 0 HE1 PHE A 50 9.218 13.470 -15.200 1.00 22.30 H new ATOM 0 HE2 PHE A 50 10.647 12.969 -19.186 1.00 62.03 H new ATOM 0 HZ PHE A 50 8.980 12.479 -17.442 1.00 31.34 H new ATOM 754 N SER A 51 13.981 18.944 -15.335 1.00 35.24 N ATOM 755 CA SER A 51 14.981 20.001 -15.281 1.00 2.42 C ATOM 756 C SER A 51 16.140 19.631 -14.407 1.00 44.31 C ATOM 757 O SER A 51 17.072 20.428 -14.241 1.00 25.12 O ATOM 758 CB SER A 51 14.318 21.277 -14.783 1.00 54.11 C ATOM 759 OG SER A 51 13.654 21.051 -13.538 1.00 15.41 O ATOM 0 H SER A 51 13.451 18.823 -14.472 1.00 35.24 H new ATOM 0 HA SER A 51 15.381 20.155 -16.283 1.00 2.42 H new ATOM 0 HB2 SER A 51 15.068 22.059 -14.664 1.00 54.11 H new ATOM 0 HB3 SER A 51 13.601 21.633 -15.523 1.00 54.11 H new ATOM 0 HG SER A 51 13.236 21.884 -13.234 1.00 15.41 H new ATOM 765 N ARG A 52 16.155 18.456 -13.888 1.00 11.23 N ATOM 766 CA ARG A 52 17.264 18.019 -13.116 1.00 74.40 C ATOM 767 C ARG A 52 17.669 16.652 -13.552 1.00 51.13 C ATOM 768 O ARG A 52 16.778 15.809 -13.730 1.00 51.12 O ATOM 769 CB ARG A 52 16.982 18.088 -11.605 1.00 21.44 C ATOM 770 CG ARG A 52 16.819 19.512 -11.060 1.00 44.12 C ATOM 771 CD ARG A 52 16.659 19.554 -9.546 1.00 4.50 C ATOM 772 NE ARG A 52 15.488 18.810 -9.093 1.00 0.52 N ATOM 773 CZ ARG A 52 14.888 18.920 -7.906 1.00 51.42 C ATOM 774 NH1 ARG A 52 15.226 19.883 -7.059 1.00 13.31 N ATOM 775 NH2 ARG A 52 13.905 18.073 -7.591 1.00 13.00 N ATOM 0 H ARG A 52 15.404 17.773 -13.985 1.00 11.23 H new ATOM 0 HA ARG A 52 18.098 18.699 -13.292 1.00 74.40 H new ATOM 0 HB2 ARG A 52 16.075 17.523 -11.390 1.00 21.44 H new ATOM 0 HB3 ARG A 52 17.797 17.598 -11.072 1.00 21.44 H new ATOM 0 HG2 ARG A 52 17.687 20.106 -11.345 1.00 44.12 H new ATOM 0 HG3 ARG A 52 15.949 19.976 -11.525 1.00 44.12 H new ATOM 0 HD2 ARG A 52 17.552 19.142 -9.077 1.00 4.50 H new ATOM 0 HD3 ARG A 52 16.577 20.591 -9.220 1.00 4.50 H new ATOM 0 HE ARG A 52 15.088 18.139 -9.749 1.00 0.52 H new ATOM 0 HH11 ARG A 52 15.953 20.552 -7.311 1.00 13.31 H new ATOM 0 HH12 ARG A 52 14.759 19.955 -6.155 1.00 13.31 H new ATOM 0 HH21 ARG A 52 13.621 17.352 -8.254 1.00 13.00 H new ATOM 0 HH22 ARG A 52 13.439 18.147 -6.687 1.00 13.00 H new ATOM 789 N THR A 53 18.954 16.432 -13.813 1.00 13.41 N ATOM 790 CA THR A 53 19.441 15.136 -14.302 1.00 70.13 C ATOM 791 C THR A 53 18.880 13.985 -13.458 1.00 53.02 C ATOM 792 O THR A 53 18.255 13.041 -13.990 1.00 73.13 O ATOM 793 CB THR A 53 20.999 15.091 -14.314 1.00 53.31 C ATOM 794 OG1 THR A 53 21.511 16.127 -15.181 1.00 1.45 O ATOM 795 CG2 THR A 53 21.515 13.737 -14.794 1.00 4.14 C ATOM 0 H THR A 53 19.684 17.135 -13.695 1.00 13.41 H new ATOM 0 HA THR A 53 19.088 15.015 -15.326 1.00 70.13 H new ATOM 0 HB THR A 53 21.345 15.250 -13.293 1.00 53.31 H new ATOM 0 HG1 THR A 53 22.491 16.096 -15.184 1.00 1.45 H new ATOM 0 HG21 THR A 53 22.605 13.741 -14.790 1.00 4.14 H new ATOM 0 HG22 THR A 53 21.152 12.953 -14.129 1.00 4.14 H new ATOM 0 HG23 THR A 53 21.157 13.549 -15.806 1.00 4.14 H new ATOM 803 N ASN A 54 18.983 14.134 -12.146 1.00 54.34 N ATOM 804 CA ASN A 54 18.529 13.113 -11.237 1.00 1.44 C ATOM 805 C ASN A 54 17.029 12.987 -11.196 1.00 54.33 C ATOM 806 O ASN A 54 16.521 11.947 -10.803 1.00 43.02 O ATOM 807 CB ASN A 54 19.103 13.251 -9.826 1.00 74.23 C ATOM 808 CG ASN A 54 20.605 13.049 -9.770 1.00 72.10 C ATOM 809 OD1 ASN A 54 21.182 12.347 -10.595 1.00 3.55 O ATOM 810 ND2 ASN A 54 21.240 13.625 -8.788 1.00 32.04 N ATOM 0 H ASN A 54 19.379 14.958 -11.694 1.00 54.34 H new ATOM 0 HA ASN A 54 18.925 12.185 -11.650 1.00 1.44 H new ATOM 0 HB2 ASN A 54 18.861 14.240 -9.437 1.00 74.23 H new ATOM 0 HB3 ASN A 54 18.621 12.525 -9.172 1.00 74.23 H new ATOM 0 HD21 ASN A 54 22.247 13.499 -8.688 1.00 32.04 H new ATOM 0 HD22 ASN A 54 20.730 14.202 -8.120 1.00 32.04 H new ATOM 817 N ASP A 55 16.282 13.998 -11.640 1.00 23.15 N ATOM 818 CA ASP A 55 14.837 13.924 -11.676 1.00 62.04 C ATOM 819 C ASP A 55 14.422 13.087 -12.822 1.00 72.42 C ATOM 820 O ASP A 55 13.439 12.336 -12.726 1.00 61.54 O ATOM 821 CB ASP A 55 14.151 15.278 -11.789 1.00 31.22 C ATOM 822 CG ASP A 55 14.281 16.180 -10.614 1.00 23.30 C ATOM 823 OD1 ASP A 55 14.508 15.716 -9.493 1.00 74.31 O ATOM 824 OD2 ASP A 55 14.080 17.387 -10.782 1.00 55.30 O ATOM 0 H ASP A 55 16.665 14.880 -11.980 1.00 23.15 H new ATOM 0 HA ASP A 55 14.529 13.491 -10.724 1.00 62.04 H new ATOM 0 HB2 ASP A 55 14.551 15.793 -12.662 1.00 31.22 H new ATOM 0 HB3 ASP A 55 13.090 15.110 -11.976 1.00 31.22 H new ATOM 829 N CYS A 56 15.127 13.201 -13.956 1.00 43.11 N ATOM 830 CA CYS A 56 14.821 12.288 -14.983 1.00 52.13 C ATOM 831 C CYS A 56 15.272 10.955 -14.648 1.00 24.25 C ATOM 832 O CYS A 56 14.699 10.056 -15.045 1.00 72.54 O ATOM 833 CB CYS A 56 15.150 12.647 -16.425 1.00 1.13 C ATOM 834 SG CYS A 56 16.812 13.029 -17.008 1.00 21.40 S ATOM 0 H CYS A 56 15.862 13.882 -14.149 1.00 43.11 H new ATOM 0 HA CYS A 56 13.733 12.342 -15.003 1.00 52.13 H new ATOM 0 HB2 CYS A 56 14.796 11.816 -17.035 1.00 1.13 H new ATOM 0 HB3 CYS A 56 14.533 13.511 -16.673 1.00 1.13 H new ATOM 839 N ARG A 57 16.312 10.841 -13.905 1.00 2.14 N ATOM 840 CA ARG A 57 16.734 9.511 -13.410 1.00 64.52 C ATOM 841 C ARG A 57 15.628 8.792 -12.660 1.00 1.43 C ATOM 842 O ARG A 57 15.466 7.581 -12.818 1.00 34.31 O ATOM 843 CB ARG A 57 17.970 9.570 -12.542 1.00 54.12 C ATOM 844 CG ARG A 57 19.112 10.162 -13.254 1.00 51.13 C ATOM 845 CD ARG A 57 20.441 9.641 -12.715 1.00 43.40 C ATOM 846 NE ARG A 57 21.564 10.020 -13.580 1.00 12.33 N ATOM 847 CZ ARG A 57 22.861 9.825 -13.307 1.00 60.25 C ATOM 848 NH1 ARG A 57 23.224 9.252 -12.172 1.00 70.51 N ATOM 849 NH2 ARG A 57 23.787 10.177 -14.195 1.00 43.20 N ATOM 0 H ARG A 57 16.902 11.619 -13.610 1.00 2.14 H new ATOM 0 HA ARG A 57 16.974 8.943 -14.309 1.00 64.52 H new ATOM 0 HB2 ARG A 57 17.758 10.155 -11.647 1.00 54.12 H new ATOM 0 HB3 ARG A 57 18.230 8.564 -12.212 1.00 54.12 H new ATOM 0 HG2 ARG A 57 19.036 9.935 -14.317 1.00 51.13 H new ATOM 0 HG3 ARG A 57 19.079 11.247 -13.157 1.00 51.13 H new ATOM 0 HD2 ARG A 57 20.606 10.034 -11.712 1.00 43.40 H new ATOM 0 HD3 ARG A 57 20.398 8.555 -12.629 1.00 43.40 H new ATOM 0 HE ARG A 57 21.337 10.471 -14.466 1.00 12.33 H new ATOM 0 HH11 ARG A 57 22.515 8.957 -11.500 1.00 70.51 H new ATOM 0 HH12 ARG A 57 24.213 9.105 -11.968 1.00 70.51 H new ATOM 0 HH21 ARG A 57 23.509 10.595 -15.083 1.00 43.20 H new ATOM 0 HH22 ARG A 57 24.775 10.029 -13.988 1.00 43.20 H new ATOM 863 N GLN A 58 14.914 9.532 -11.813 1.00 20.43 N ATOM 864 CA GLN A 58 13.757 8.995 -11.056 1.00 11.24 C ATOM 865 C GLN A 58 12.836 8.281 -11.976 1.00 53.31 C ATOM 866 O GLN A 58 12.590 7.066 -11.866 1.00 1.51 O ATOM 867 CB GLN A 58 12.970 10.110 -10.387 1.00 43.33 C ATOM 868 CG GLN A 58 13.774 11.014 -9.467 1.00 12.11 C ATOM 869 CD GLN A 58 14.420 10.275 -8.317 1.00 55.23 C ATOM 870 OE1 GLN A 58 15.555 9.807 -8.410 1.00 73.23 O ATOM 871 NE2 GLN A 58 13.707 10.144 -7.239 1.00 41.21 N ATOM 0 H GLN A 58 15.110 10.515 -11.625 1.00 20.43 H new ATOM 0 HA GLN A 58 14.151 8.319 -10.297 1.00 11.24 H new ATOM 0 HB2 GLN A 58 12.512 10.724 -11.162 1.00 43.33 H new ATOM 0 HB3 GLN A 58 12.158 9.664 -9.812 1.00 43.33 H new ATOM 0 HG2 GLN A 58 14.548 11.516 -10.048 1.00 12.11 H new ATOM 0 HG3 GLN A 58 13.120 11.790 -9.069 1.00 12.11 H new ATOM 0 HE21 GLN A 58 12.770 10.544 -7.196 1.00 41.21 H new ATOM 0 HE22 GLN A 58 14.084 9.641 -6.436 1.00 41.21 H new ATOM 880 N THR A 59 12.320 9.067 -12.809 1.00 40.14 N ATOM 881 CA THR A 59 11.589 8.782 -13.920 1.00 22.13 C ATOM 882 C THR A 59 12.266 7.665 -14.720 1.00 25.12 C ATOM 883 O THR A 59 11.935 6.473 -14.579 1.00 61.22 O ATOM 884 CB THR A 59 11.718 10.192 -14.600 1.00 33.03 C ATOM 885 OG1 THR A 59 11.060 11.194 -13.826 1.00 30.24 O ATOM 886 CG2 THR A 59 11.394 10.323 -16.036 1.00 73.31 C ATOM 0 H THR A 59 12.427 10.075 -12.694 1.00 40.14 H new ATOM 0 HA THR A 59 10.570 8.419 -13.787 1.00 22.13 H new ATOM 0 HB THR A 59 12.797 10.343 -14.605 1.00 33.03 H new ATOM 0 HG1 THR A 59 11.728 11.735 -13.356 1.00 30.24 H new ATOM 0 HG21 THR A 59 11.535 11.358 -16.348 1.00 73.31 H new ATOM 0 HG22 THR A 59 12.051 9.676 -16.618 1.00 73.31 H new ATOM 0 HG23 THR A 59 10.357 10.031 -16.203 1.00 73.31 H new ATOM 894 N CYS A 60 13.222 8.051 -15.423 1.00 4.11 N ATOM 895 CA CYS A 60 13.774 7.299 -16.520 1.00 41.01 C ATOM 896 C CYS A 60 14.850 8.098 -17.184 1.00 61.41 C ATOM 897 O CYS A 60 14.554 9.143 -17.780 1.00 2.03 O ATOM 898 CB CYS A 60 12.736 7.092 -17.666 1.00 31.42 C ATOM 899 SG CYS A 60 11.108 6.353 -17.332 1.00 21.32 S ATOM 0 H CYS A 60 13.692 8.943 -15.271 1.00 4.11 H new ATOM 0 HA CYS A 60 14.111 6.354 -16.094 1.00 41.01 H new ATOM 0 HB2 CYS A 60 12.557 8.069 -18.115 1.00 31.42 H new ATOM 0 HB3 CYS A 60 13.217 6.475 -18.425 1.00 31.42 H new ATOM 904 N GLN A 61 16.077 7.720 -17.063 1.00 61.02 N ATOM 905 CA GLN A 61 16.954 8.146 -18.072 1.00 11.12 C ATOM 906 C GLN A 61 17.333 6.942 -18.850 1.00 60.42 C ATOM 907 O GLN A 61 17.122 6.831 -20.027 1.00 32.30 O ATOM 908 CB GLN A 61 18.207 8.824 -17.614 1.00 53.20 C ATOM 909 CG GLN A 61 18.057 10.001 -16.719 1.00 43.32 C ATOM 910 CD GLN A 61 19.403 10.749 -16.672 1.00 3.23 C ATOM 911 OE1 GLN A 61 20.285 10.422 -15.911 1.00 23.20 O ATOM 912 NE2 GLN A 61 19.533 11.782 -17.439 1.00 40.03 N ATOM 0 H GLN A 61 16.471 7.148 -16.316 1.00 61.02 H new ATOM 0 HA GLN A 61 16.419 8.904 -18.644 1.00 11.12 H new ATOM 0 HB2 GLN A 61 18.822 8.085 -17.100 1.00 53.20 H new ATOM 0 HB3 GLN A 61 18.762 9.140 -18.497 1.00 53.20 H new ATOM 0 HG2 GLN A 61 17.270 10.659 -17.086 1.00 43.32 H new ATOM 0 HG3 GLN A 61 17.765 9.682 -15.718 1.00 43.32 H new ATOM 0 HE21 GLN A 61 18.779 12.043 -18.075 1.00 40.03 H new ATOM 0 HE22 GLN A 61 20.389 12.335 -17.408 1.00 40.03 H new ATOM 921 N TYR A 62 17.994 6.072 -18.123 1.00 15.42 N ATOM 922 CA TYR A 62 18.570 4.863 -18.616 1.00 62.01 C ATOM 923 C TYR A 62 17.691 3.680 -18.254 1.00 22.23 C ATOM 924 O TYR A 62 17.305 3.525 -17.092 1.00 70.22 O ATOM 925 CB TYR A 62 19.913 4.647 -17.928 1.00 0.02 C ATOM 926 CG TYR A 62 20.950 5.741 -18.077 1.00 41.24 C ATOM 927 CD1 TYR A 62 21.837 5.758 -19.144 1.00 25.04 C ATOM 928 CD2 TYR A 62 21.057 6.744 -17.120 1.00 44.13 C ATOM 929 CE1 TYR A 62 22.794 6.750 -19.255 1.00 41.43 C ATOM 930 CE2 TYR A 62 22.011 7.729 -17.220 1.00 4.54 C ATOM 931 CZ TYR A 62 22.876 7.732 -18.287 1.00 73.25 C ATOM 932 OH TYR A 62 23.844 8.717 -18.376 1.00 13.34 O ATOM 0 H TYR A 62 18.147 6.204 -17.123 1.00 15.42 H new ATOM 0 HA TYR A 62 18.676 4.940 -19.698 1.00 62.01 H new ATOM 0 HB2 TYR A 62 19.728 4.499 -16.864 1.00 0.02 H new ATOM 0 HB3 TYR A 62 20.342 3.720 -18.308 1.00 0.02 H new ATOM 0 HD1 TYR A 62 21.779 4.986 -19.898 1.00 25.04 H new ATOM 0 HD2 TYR A 62 20.377 6.749 -16.281 1.00 44.13 H new ATOM 0 HE1 TYR A 62 23.474 6.757 -20.094 1.00 41.43 H new ATOM 0 HE2 TYR A 62 22.080 8.497 -16.463 1.00 4.54 H new ATOM 0 HH TYR A 62 23.760 9.328 -17.614 1.00 13.34 H new ATOM 942 N PRO A 63 17.332 2.857 -19.213 1.00 22.33 N ATOM 943 CA PRO A 63 16.620 1.630 -18.946 1.00 33.10 C ATOM 944 C PRO A 63 17.625 0.523 -18.611 1.00 21.51 C ATOM 945 O PRO A 63 18.169 -0.139 -19.500 1.00 21.34 O ATOM 946 CB PRO A 63 15.917 1.352 -20.272 1.00 53.21 C ATOM 947 CG PRO A 63 16.803 1.951 -21.316 1.00 11.01 C ATOM 948 CD PRO A 63 17.598 3.042 -20.650 1.00 2.21 C ATOM 0 HA PRO A 63 15.927 1.685 -18.106 1.00 33.10 H new ATOM 0 HB2 PRO A 63 15.787 0.282 -20.432 1.00 53.21 H new ATOM 0 HB3 PRO A 63 14.924 1.801 -20.293 1.00 53.21 H new ATOM 0 HG2 PRO A 63 17.465 1.195 -21.739 1.00 11.01 H new ATOM 0 HG3 PRO A 63 16.212 2.353 -22.139 1.00 11.01 H new ATOM 0 HD2 PRO A 63 18.661 2.953 -20.873 1.00 2.21 H new ATOM 0 HD3 PRO A 63 17.283 4.029 -20.990 1.00 2.21 H new ATOM 956 N VAL A 64 17.902 0.338 -17.352 1.00 35.33 N ATOM 957 CA VAL A 64 18.895 -0.633 -16.969 1.00 15.22 C ATOM 958 C VAL A 64 18.263 -1.844 -16.317 1.00 74.34 C ATOM 959 O VAL A 64 17.330 -1.733 -15.504 1.00 1.41 O ATOM 960 CB VAL A 64 20.000 -0.027 -16.049 1.00 10.01 C ATOM 961 CG1 VAL A 64 20.806 1.019 -16.803 1.00 12.23 C ATOM 962 CG2 VAL A 64 19.401 0.589 -14.786 1.00 25.04 C ATOM 0 H VAL A 64 17.462 0.838 -16.579 1.00 35.33 H new ATOM 0 HA VAL A 64 19.382 -0.953 -17.890 1.00 15.22 H new ATOM 0 HB VAL A 64 20.660 -0.841 -15.749 1.00 10.01 H new ATOM 0 HG11 VAL A 64 21.572 1.431 -16.146 1.00 12.23 H new ATOM 0 HG12 VAL A 64 21.280 0.558 -17.669 1.00 12.23 H new ATOM 0 HG13 VAL A 64 20.144 1.819 -17.135 1.00 12.23 H new ATOM 0 HG21 VAL A 64 20.199 1.001 -14.169 1.00 25.04 H new ATOM 0 HG22 VAL A 64 18.708 1.384 -15.062 1.00 25.04 H new ATOM 0 HG23 VAL A 64 18.868 -0.178 -14.225 1.00 25.04 H new ATOM 972 N GLY A 65 18.741 -2.986 -16.687 1.00 71.05 N ATOM 973 CA GLY A 65 18.278 -4.227 -16.189 1.00 73.35 C ATOM 974 C GLY A 65 19.107 -5.292 -16.813 1.00 33.10 C ATOM 975 O GLY A 65 19.316 -6.347 -16.221 1.00 31.23 O ATOM 976 OXT GLY A 65 19.624 -5.050 -17.920 1.00 0.00 O ATOM 0 H GLY A 65 19.493 -3.077 -17.370 1.00 71.05 H new ATOM 0 HA2 GLY A 65 18.363 -4.261 -15.103 1.00 73.35 H new ATOM 0 HA3 GLY A 65 17.225 -4.369 -16.431 1.00 73.35 H new TER 980 GLY A 65