USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 569 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 42 SER OG : rot -126:sc= 0.443 USER MOD Set 1.2: A 44 HIS : no HD1:sc= -1.02 K(o=-0.58,f=-8!) USER MOD Set 2.1: A 7 TYR OH : rot 169:sc= 1.31 USER MOD Set 2.2: A 34 HIS : no HD1:sc= 0.871 K(o=2.2,f=-5.6!) USER MOD Single : A 1 MET CE :methyl -140:sc= -0.235 (180deg=-0.975) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0627 (180deg=-0.442) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 40:sc= 0.0169 USER MOD Single : A 15 THR OG1 : rot 28:sc= 0.502 USER MOD Single : A 18 LYS NZ :NH3+ -144:sc= 1.23 (180deg=0.652) USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= -0.0265 (180deg=-0.218) USER MOD Single : A 23 GLN : amide:sc= -0.913 K(o=-0.91,f=-0.16) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.338! C(o=-0.34!,f=-7.9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -79:sc= 0.507 USER MOD Single : A 46 THR OG1 : rot -65:sc= -1.76! USER MOD Single : A 48 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.64) USER MOD Single : A 51 MET CE :methyl 144:sc= -0.265 (180deg=-0.957) USER MOD Single : A 54 LYS NZ :NH3+ 133:sc= 0.579 (180deg=-0.81!) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= 1.02 (180deg=0.778) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 168:sc= -0.0494 (180deg=-0.207) USER MOD Single : A 66 HIS : no HD1:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.35) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HE2:sc= 0.157 K(o=0.16,f=-1.9) USER MOD Single : A 70 HIS : no HE2:sc= 0.211 K(o=0.21,f=-2.3!) USER MOD Single : A 71 HIS : no HE2:sc= -0.282 K(o=-0.28,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.244 -29.277 1.112 1.00 40.13 N ATOM 2 CA MET A 1 -27.608 -28.039 0.373 1.00 13.11 C ATOM 3 C MET A 1 -27.156 -26.794 1.147 1.00 23.54 C ATOM 4 O MET A 1 -27.889 -26.273 1.990 1.00 41.42 O ATOM 5 CB MET A 1 -29.125 -27.996 0.126 1.00 24.54 C ATOM 6 CG MET A 1 -29.636 -29.154 -0.724 1.00 64.41 C ATOM 7 SD MET A 1 -31.432 -29.191 -0.856 1.00 32.51 S ATOM 8 CE MET A 1 -31.894 -29.388 0.866 1.00 62.33 C ATOM 0 H1 MET A 1 -27.256 -30.087 0.460 1.00 40.13 H new ATOM 0 H2 MET A 1 -26.292 -29.172 1.517 1.00 40.13 H new ATOM 0 H3 MET A 1 -27.930 -29.439 1.877 1.00 40.13 H new ATOM 0 HA MET A 1 -27.096 -28.047 -0.589 1.00 13.11 H new ATOM 0 HB2 MET A 1 -29.642 -28.005 1.086 1.00 24.54 H new ATOM 0 HB3 MET A 1 -29.379 -27.056 -0.364 1.00 24.54 H new ATOM 0 HG2 MET A 1 -29.205 -29.082 -1.723 1.00 64.41 H new ATOM 0 HG3 MET A 1 -29.289 -30.094 -0.294 1.00 64.41 H new ATOM 0 HE1 MET A 1 -32.729 -30.084 0.941 1.00 62.33 H new ATOM 0 HE2 MET A 1 -31.045 -29.777 1.428 1.00 62.33 H new ATOM 0 HE3 MET A 1 -32.189 -28.422 1.276 1.00 62.33 H new ATOM 20 N PRO A 2 -25.932 -26.306 0.878 1.00 3.04 N ATOM 21 CA PRO A 2 -25.342 -25.178 1.620 1.00 31.32 C ATOM 22 C PRO A 2 -25.871 -23.804 1.171 1.00 1.42 C ATOM 23 O PRO A 2 -26.258 -23.617 0.013 1.00 1.43 O ATOM 24 CB PRO A 2 -23.851 -25.311 1.292 1.00 51.03 C ATOM 25 CG PRO A 2 -23.821 -25.891 -0.083 1.00 65.51 C ATOM 26 CD PRO A 2 -25.019 -26.810 -0.174 1.00 10.44 C ATOM 0 HA PRO A 2 -25.583 -25.220 2.682 1.00 31.32 H new ATOM 0 HB2 PRO A 2 -23.349 -24.344 1.326 1.00 51.03 H new ATOM 0 HB3 PRO A 2 -23.344 -25.958 2.007 1.00 51.03 H new ATOM 0 HG2 PRO A 2 -23.872 -25.107 -0.838 1.00 65.51 H new ATOM 0 HG3 PRO A 2 -22.895 -26.439 -0.255 1.00 65.51 H new ATOM 0 HD2 PRO A 2 -25.482 -26.767 -1.160 1.00 10.44 H new ATOM 0 HD3 PRO A 2 -24.740 -27.849 0.002 1.00 10.44 H new ATOM 34 N THR A 3 -25.887 -22.842 2.095 1.00 21.13 N ATOM 35 CA THR A 3 -26.250 -21.455 1.765 1.00 24.53 C ATOM 36 C THR A 3 -25.032 -20.706 1.196 1.00 41.33 C ATOM 37 O THR A 3 -24.332 -19.981 1.902 1.00 22.41 O ATOM 38 CB THR A 3 -26.834 -20.700 2.993 1.00 74.50 C ATOM 39 OG1 THR A 3 -27.088 -19.321 2.667 1.00 24.33 O ATOM 40 CG2 THR A 3 -25.910 -20.784 4.208 1.00 73.55 C ATOM 0 H THR A 3 -25.654 -22.993 3.076 1.00 21.13 H new ATOM 0 HA THR A 3 -27.031 -21.490 1.006 1.00 24.53 H new ATOM 0 HB THR A 3 -27.774 -21.188 3.252 1.00 74.50 H new ATOM 0 HG1 THR A 3 -27.456 -18.862 3.451 1.00 24.33 H new ATOM 0 HG21 THR A 3 -26.356 -20.243 5.043 1.00 73.55 H new ATOM 0 HG22 THR A 3 -25.769 -21.828 4.486 1.00 73.55 H new ATOM 0 HG23 THR A 3 -24.945 -20.340 3.963 1.00 73.55 H new ATOM 48 N LYS A 4 -24.782 -20.916 -0.096 1.00 20.31 N ATOM 49 CA LYS A 4 -23.551 -20.457 -0.761 1.00 30.21 C ATOM 50 C LYS A 4 -23.415 -18.918 -0.797 1.00 74.05 C ATOM 51 O LYS A 4 -24.180 -18.230 -1.478 1.00 32.00 O ATOM 52 CB LYS A 4 -23.514 -21.021 -2.189 1.00 50.34 C ATOM 53 CG LYS A 4 -22.222 -20.734 -2.948 1.00 31.51 C ATOM 54 CD LYS A 4 -22.272 -21.295 -4.368 1.00 34.25 C ATOM 55 CE LYS A 4 -20.985 -21.023 -5.138 1.00 4.04 C ATOM 56 NZ LYS A 4 -21.088 -21.454 -6.558 1.00 35.35 N ATOM 0 H LYS A 4 -25.424 -21.409 -0.716 1.00 20.31 H new ATOM 0 HA LYS A 4 -22.708 -20.826 -0.177 1.00 30.21 H new ATOM 0 HB2 LYS A 4 -23.662 -22.100 -2.144 1.00 50.34 H new ATOM 0 HB3 LYS A 4 -24.351 -20.607 -2.752 1.00 50.34 H new ATOM 0 HG2 LYS A 4 -22.052 -19.658 -2.986 1.00 31.51 H new ATOM 0 HG3 LYS A 4 -21.379 -21.171 -2.412 1.00 31.51 H new ATOM 0 HD2 LYS A 4 -22.449 -22.370 -4.327 1.00 34.25 H new ATOM 0 HD3 LYS A 4 -23.114 -20.854 -4.902 1.00 34.25 H new ATOM 0 HE2 LYS A 4 -20.755 -19.958 -5.097 1.00 4.04 H new ATOM 0 HE3 LYS A 4 -20.157 -21.546 -4.659 1.00 4.04 H new ATOM 0 HZ1 LYS A 4 -20.193 -21.252 -7.048 1.00 35.35 H new ATOM 0 HZ2 LYS A 4 -21.282 -22.475 -6.598 1.00 35.35 H new ATOM 0 HZ3 LYS A 4 -21.861 -20.936 -7.023 1.00 35.35 H new ATOM 70 N PRO A 5 -22.433 -18.360 -0.058 1.00 65.45 N ATOM 71 CA PRO A 5 -22.126 -16.925 -0.076 1.00 62.50 C ATOM 72 C PRO A 5 -20.996 -16.560 -1.069 1.00 13.35 C ATOM 73 O PRO A 5 -20.210 -17.422 -1.471 1.00 42.34 O ATOM 74 CB PRO A 5 -21.675 -16.695 1.369 1.00 53.10 C ATOM 75 CG PRO A 5 -20.963 -17.962 1.747 1.00 3.41 C ATOM 76 CD PRO A 5 -21.555 -19.073 0.894 1.00 24.44 C ATOM 0 HA PRO A 5 -22.968 -16.314 -0.401 1.00 62.50 H new ATOM 0 HB2 PRO A 5 -21.015 -15.831 1.446 1.00 53.10 H new ATOM 0 HB3 PRO A 5 -22.525 -16.507 2.025 1.00 53.10 H new ATOM 0 HG2 PRO A 5 -19.891 -17.870 1.571 1.00 3.41 H new ATOM 0 HG3 PRO A 5 -21.095 -18.177 2.807 1.00 3.41 H new ATOM 0 HD2 PRO A 5 -20.779 -19.636 0.377 1.00 24.44 H new ATOM 0 HD3 PRO A 5 -22.116 -19.785 1.499 1.00 24.44 H new ATOM 84 N PRO A 6 -20.911 -15.282 -1.495 1.00 11.25 N ATOM 85 CA PRO A 6 -19.825 -14.799 -2.359 1.00 71.25 C ATOM 86 C PRO A 6 -18.620 -14.258 -1.562 1.00 14.53 C ATOM 87 O PRO A 6 -18.788 -13.614 -0.524 1.00 53.32 O ATOM 88 CB PRO A 6 -20.516 -13.673 -3.130 1.00 70.14 C ATOM 89 CG PRO A 6 -21.484 -13.086 -2.146 1.00 12.14 C ATOM 90 CD PRO A 6 -21.879 -14.205 -1.199 1.00 31.44 C ATOM 0 HA PRO A 6 -19.400 -15.586 -2.982 1.00 71.25 H new ATOM 0 HB2 PRO A 6 -19.798 -12.928 -3.474 1.00 70.14 H new ATOM 0 HB3 PRO A 6 -21.029 -14.053 -4.014 1.00 70.14 H new ATOM 0 HG2 PRO A 6 -21.027 -12.260 -1.600 1.00 12.14 H new ATOM 0 HG3 PRO A 6 -22.359 -12.685 -2.657 1.00 12.14 H new ATOM 0 HD2 PRO A 6 -21.817 -13.888 -0.158 1.00 31.44 H new ATOM 0 HD3 PRO A 6 -22.905 -14.531 -1.372 1.00 31.44 H new ATOM 98 N TYR A 7 -17.407 -14.513 -2.054 1.00 55.41 N ATOM 99 CA TYR A 7 -16.183 -14.036 -1.392 1.00 41.23 C ATOM 100 C TYR A 7 -15.775 -12.647 -1.921 1.00 34.14 C ATOM 101 O TYR A 7 -15.552 -12.472 -3.120 1.00 54.31 O ATOM 102 CB TYR A 7 -15.038 -15.042 -1.599 1.00 43.12 C ATOM 103 CG TYR A 7 -13.732 -14.639 -0.927 1.00 2.12 C ATOM 104 CD1 TYR A 7 -13.614 -14.628 0.461 1.00 54.23 C ATOM 105 CD2 TYR A 7 -12.622 -14.265 -1.677 1.00 21.54 C ATOM 106 CE1 TYR A 7 -12.431 -14.257 1.075 1.00 31.43 C ATOM 107 CE2 TYR A 7 -11.437 -13.897 -1.069 1.00 52.10 C ATOM 108 CZ TYR A 7 -11.347 -13.892 0.307 1.00 72.21 C ATOM 109 OH TYR A 7 -10.163 -13.526 0.914 1.00 63.52 O ATOM 0 H TYR A 7 -17.241 -15.046 -2.908 1.00 55.41 H new ATOM 0 HA TYR A 7 -16.387 -13.947 -0.325 1.00 41.23 H new ATOM 0 HB2 TYR A 7 -15.348 -16.014 -1.215 1.00 43.12 H new ATOM 0 HB3 TYR A 7 -14.863 -15.163 -2.668 1.00 43.12 H new ATOM 0 HD1 TYR A 7 -14.460 -14.914 1.068 1.00 54.23 H new ATOM 0 HD2 TYR A 7 -12.688 -14.262 -2.755 1.00 21.54 H new ATOM 0 HE1 TYR A 7 -12.358 -14.254 2.152 1.00 31.43 H new ATOM 0 HE2 TYR A 7 -10.585 -13.614 -1.669 1.00 52.10 H new ATOM 0 HH TYR A 7 -9.454 -13.470 0.240 1.00 63.52 H new ATOM 119 N PRO A 8 -15.682 -11.640 -1.027 1.00 12.43 N ATOM 120 CA PRO A 8 -15.316 -10.260 -1.408 1.00 71.34 C ATOM 121 C PRO A 8 -13.812 -10.088 -1.736 1.00 30.41 C ATOM 122 O PRO A 8 -13.175 -10.992 -2.286 1.00 34.11 O ATOM 123 CB PRO A 8 -15.718 -9.454 -0.168 1.00 51.53 C ATOM 124 CG PRO A 8 -15.571 -10.407 0.967 1.00 61.22 C ATOM 125 CD PRO A 8 -15.935 -11.764 0.424 1.00 10.42 C ATOM 0 HA PRO A 8 -15.811 -9.941 -2.326 1.00 71.34 H new ATOM 0 HB2 PRO A 8 -15.077 -8.582 -0.038 1.00 51.53 H new ATOM 0 HB3 PRO A 8 -16.742 -9.089 -0.248 1.00 51.53 H new ATOM 0 HG2 PRO A 8 -14.551 -10.402 1.350 1.00 61.22 H new ATOM 0 HG3 PRO A 8 -16.224 -10.131 1.795 1.00 61.22 H new ATOM 0 HD2 PRO A 8 -15.327 -12.550 0.871 1.00 10.42 H new ATOM 0 HD3 PRO A 8 -16.977 -12.011 0.629 1.00 10.42 H new ATOM 133 N ARG A 9 -13.253 -8.917 -1.413 1.00 54.04 N ATOM 134 CA ARG A 9 -11.874 -8.581 -1.792 1.00 20.44 C ATOM 135 C ARG A 9 -11.242 -7.571 -0.805 1.00 2.24 C ATOM 136 O ARG A 9 -11.282 -6.361 -1.015 1.00 23.30 O ATOM 137 CB ARG A 9 -11.864 -8.039 -3.241 1.00 32.12 C ATOM 138 CG ARG A 9 -12.786 -6.835 -3.458 1.00 42.50 C ATOM 139 CD ARG A 9 -13.340 -6.751 -4.883 1.00 54.33 C ATOM 140 NE ARG A 9 -12.305 -6.621 -5.911 1.00 2.31 N ATOM 141 CZ ARG A 9 -12.288 -5.676 -6.810 1.00 22.10 C ATOM 142 NH1 ARG A 9 -13.100 -4.667 -6.726 1.00 64.31 N ATOM 143 NH2 ARG A 9 -11.421 -5.720 -7.766 1.00 34.31 N ATOM 0 H ARG A 9 -13.733 -8.185 -0.890 1.00 54.04 H new ATOM 0 HA ARG A 9 -11.264 -9.483 -1.745 1.00 20.44 H new ATOM 0 HB2 ARG A 9 -10.845 -7.757 -3.506 1.00 32.12 H new ATOM 0 HB3 ARG A 9 -12.160 -8.839 -3.920 1.00 32.12 H new ATOM 0 HG2 ARG A 9 -13.617 -6.890 -2.754 1.00 42.50 H new ATOM 0 HG3 ARG A 9 -12.238 -5.920 -3.233 1.00 42.50 H new ATOM 0 HD2 ARG A 9 -13.931 -7.644 -5.086 1.00 54.33 H new ATOM 0 HD3 ARG A 9 -14.016 -5.899 -4.951 1.00 54.33 H new ATOM 0 HE ARG A 9 -11.553 -7.310 -5.925 1.00 2.31 H new ATOM 0 HH11 ARG A 9 -13.761 -4.607 -5.951 1.00 64.31 H new ATOM 0 HH12 ARG A 9 -13.078 -3.934 -7.435 1.00 64.31 H new ATOM 0 HH21 ARG A 9 -10.755 -6.491 -7.815 1.00 34.31 H new ATOM 0 HH22 ARG A 9 -11.403 -4.984 -8.472 1.00 34.31 H new ATOM 157 N GLU A 10 -10.678 -8.087 0.287 1.00 35.53 N ATOM 158 CA GLU A 10 -10.099 -7.242 1.344 1.00 44.14 C ATOM 159 C GLU A 10 -8.643 -6.855 1.052 1.00 62.23 C ATOM 160 O GLU A 10 -7.836 -7.683 0.620 1.00 44.41 O ATOM 161 CB GLU A 10 -10.173 -7.959 2.702 1.00 31.42 C ATOM 162 CG GLU A 10 -11.565 -7.998 3.322 1.00 44.55 C ATOM 163 CD GLU A 10 -12.591 -8.738 2.478 1.00 4.31 C ATOM 164 OE1 GLU A 10 -12.647 -9.983 2.562 1.00 51.22 O ATOM 165 OE2 GLU A 10 -13.357 -8.076 1.746 1.00 32.15 O ATOM 0 H GLU A 10 -10.607 -9.088 0.468 1.00 35.53 H new ATOM 0 HA GLU A 10 -10.689 -6.326 1.373 1.00 44.14 H new ATOM 0 HB2 GLU A 10 -9.815 -8.981 2.579 1.00 31.42 H new ATOM 0 HB3 GLU A 10 -9.493 -7.465 3.397 1.00 31.42 H new ATOM 0 HG2 GLU A 10 -11.503 -8.472 4.301 1.00 44.55 H new ATOM 0 HG3 GLU A 10 -11.910 -6.977 3.484 1.00 44.55 H new ATOM 172 N ALA A 11 -8.302 -5.596 1.336 1.00 12.31 N ATOM 173 CA ALA A 11 -6.938 -5.090 1.142 1.00 41.13 C ATOM 174 C ALA A 11 -6.312 -4.626 2.469 1.00 60.42 C ATOM 175 O ALA A 11 -7.016 -4.353 3.444 1.00 74.23 O ATOM 176 CB ALA A 11 -6.948 -3.941 0.139 1.00 54.44 C ATOM 0 H ALA A 11 -8.955 -4.904 1.703 1.00 12.31 H new ATOM 0 HA ALA A 11 -6.329 -5.907 0.754 1.00 41.13 H new ATOM 0 HB1 ALA A 11 -5.932 -3.570 0.000 1.00 54.44 H new ATOM 0 HB2 ALA A 11 -7.339 -4.294 -0.815 1.00 54.44 H new ATOM 0 HB3 ALA A 11 -7.580 -3.136 0.514 1.00 54.44 H new ATOM 182 N TYR A 12 -4.984 -4.532 2.498 1.00 13.41 N ATOM 183 CA TYR A 12 -4.254 -4.058 3.681 1.00 72.12 C ATOM 184 C TYR A 12 -3.045 -3.200 3.270 1.00 3.40 C ATOM 185 O TYR A 12 -2.416 -3.451 2.242 1.00 34.42 O ATOM 186 CB TYR A 12 -3.798 -5.246 4.545 1.00 1.23 C ATOM 187 CG TYR A 12 -2.890 -6.230 3.822 1.00 52.43 C ATOM 188 CD1 TYR A 12 -3.423 -7.277 3.077 1.00 52.33 C ATOM 189 CD2 TYR A 12 -1.504 -6.113 3.885 1.00 52.53 C ATOM 190 CE1 TYR A 12 -2.606 -8.174 2.418 1.00 2.10 C ATOM 191 CE2 TYR A 12 -0.681 -7.009 3.226 1.00 42.14 C ATOM 192 CZ TYR A 12 -1.236 -8.036 2.492 1.00 2.41 C ATOM 193 OH TYR A 12 -0.418 -8.934 1.834 1.00 2.33 O ATOM 0 H TYR A 12 -4.384 -4.779 1.711 1.00 13.41 H new ATOM 0 HA TYR A 12 -4.929 -3.438 4.271 1.00 72.12 H new ATOM 0 HB2 TYR A 12 -3.276 -4.864 5.422 1.00 1.23 H new ATOM 0 HB3 TYR A 12 -4.678 -5.778 4.905 1.00 1.23 H new ATOM 0 HD1 TYR A 12 -4.495 -7.390 3.013 1.00 52.33 H new ATOM 0 HD2 TYR A 12 -1.064 -5.310 4.458 1.00 52.53 H new ATOM 0 HE1 TYR A 12 -3.039 -8.982 1.846 1.00 2.10 H new ATOM 0 HE2 TYR A 12 0.392 -6.904 3.286 1.00 42.14 H new ATOM 0 HH TYR A 12 -0.803 -9.146 0.958 1.00 2.33 H new ATOM 203 N ILE A 13 -2.731 -2.182 4.067 1.00 74.24 N ATOM 204 CA ILE A 13 -1.617 -1.276 3.767 1.00 41.25 C ATOM 205 C ILE A 13 -0.389 -1.566 4.650 1.00 22.24 C ATOM 206 O ILE A 13 -0.500 -1.698 5.872 1.00 75.42 O ATOM 207 CB ILE A 13 -2.040 0.207 3.954 1.00 1.24 C ATOM 208 CG1 ILE A 13 -3.239 0.536 3.044 1.00 24.34 C ATOM 209 CG2 ILE A 13 -0.867 1.144 3.665 1.00 21.41 C ATOM 210 CD1 ILE A 13 -3.739 1.963 3.169 1.00 45.20 C ATOM 0 H ILE A 13 -3.231 -1.960 4.928 1.00 74.24 H new ATOM 0 HA ILE A 13 -1.345 -1.448 2.726 1.00 41.25 H new ATOM 0 HB ILE A 13 -2.341 0.355 4.991 1.00 1.24 H new ATOM 0 HG12 ILE A 13 -2.956 0.351 2.008 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -4.057 -0.146 3.278 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -1.185 2.178 3.802 1.00 21.41 H new ATOM 0 HG22 ILE A 13 -0.048 0.923 4.349 1.00 21.41 H new ATOM 0 HG23 ILE A 13 -0.531 1.001 2.638 1.00 21.41 H new ATOM 0 HD11 ILE A 13 -4.583 2.113 2.496 1.00 45.20 H new ATOM 0 HD12 ILE A 13 -4.055 2.149 4.195 1.00 45.20 H new ATOM 0 HD13 ILE A 13 -2.938 2.654 2.905 1.00 45.20 H new ATOM 222 N VAL A 14 0.778 -1.671 4.019 1.00 40.55 N ATOM 223 CA VAL A 14 2.044 -1.890 4.735 1.00 34.23 C ATOM 224 C VAL A 14 2.997 -0.695 4.551 1.00 20.35 C ATOM 225 O VAL A 14 3.298 -0.298 3.425 1.00 33.33 O ATOM 226 CB VAL A 14 2.749 -3.182 4.242 1.00 51.13 C ATOM 227 CG1 VAL A 14 4.066 -3.412 4.984 1.00 45.15 C ATOM 228 CG2 VAL A 14 1.822 -4.389 4.388 1.00 13.13 C ATOM 0 H VAL A 14 0.879 -1.608 3.006 1.00 40.55 H new ATOM 0 HA VAL A 14 1.801 -1.996 5.792 1.00 34.23 H new ATOM 0 HB VAL A 14 2.983 -3.055 3.185 1.00 51.13 H new ATOM 0 HG11 VAL A 14 4.536 -4.324 4.617 1.00 45.15 H new ATOM 0 HG12 VAL A 14 4.732 -2.566 4.813 1.00 45.15 H new ATOM 0 HG13 VAL A 14 3.870 -3.510 6.052 1.00 45.15 H new ATOM 0 HG21 VAL A 14 2.334 -5.285 4.037 1.00 13.13 H new ATOM 0 HG22 VAL A 14 1.549 -4.514 5.436 1.00 13.13 H new ATOM 0 HG23 VAL A 14 0.921 -4.230 3.795 1.00 13.13 H new ATOM 238 N THR A 15 3.469 -0.124 5.659 1.00 12.33 N ATOM 239 CA THR A 15 4.390 1.024 5.608 1.00 22.15 C ATOM 240 C THR A 15 5.849 0.566 5.505 1.00 73.45 C ATOM 241 O THR A 15 6.353 -0.148 6.375 1.00 51.43 O ATOM 242 CB THR A 15 4.254 1.934 6.857 1.00 13.04 C ATOM 243 OG1 THR A 15 4.712 1.248 8.030 1.00 52.33 O ATOM 244 CG2 THR A 15 2.808 2.372 7.059 1.00 3.25 C ATOM 0 H THR A 15 3.233 -0.432 6.602 1.00 12.33 H new ATOM 0 HA THR A 15 4.115 1.590 4.718 1.00 22.15 H new ATOM 0 HB THR A 15 4.870 2.818 6.692 1.00 13.04 H new ATOM 0 HG1 THR A 15 5.392 0.588 7.779 1.00 52.33 H new ATOM 0 HG21 THR A 15 2.741 3.009 7.941 1.00 3.25 H new ATOM 0 HG22 THR A 15 2.470 2.927 6.184 1.00 3.25 H new ATOM 0 HG23 THR A 15 2.178 1.494 7.197 1.00 3.25 H new ATOM 252 N ILE A 16 6.528 0.980 4.440 1.00 30.33 N ATOM 253 CA ILE A 16 7.943 0.643 4.236 1.00 23.24 C ATOM 254 C ILE A 16 8.818 1.903 4.202 1.00 62.44 C ATOM 255 O ILE A 16 8.312 3.021 4.096 1.00 13.24 O ATOM 256 CB ILE A 16 8.156 -0.150 2.922 1.00 20.51 C ATOM 257 CG1 ILE A 16 7.836 0.729 1.700 1.00 33.01 C ATOM 258 CG2 ILE A 16 7.292 -1.413 2.919 1.00 73.40 C ATOM 259 CD1 ILE A 16 8.133 0.061 0.375 1.00 3.53 C ATOM 0 H ILE A 16 6.124 1.552 3.699 1.00 30.33 H new ATOM 0 HA ILE A 16 8.238 0.021 5.081 1.00 23.24 H new ATOM 0 HB ILE A 16 9.203 -0.446 2.862 1.00 20.51 H new ATOM 0 HG12 ILE A 16 6.782 1.006 1.729 1.00 33.01 H new ATOM 0 HG13 ILE A 16 8.410 1.653 1.768 1.00 33.01 H new ATOM 0 HG21 ILE A 16 7.451 -1.961 1.990 1.00 73.40 H new ATOM 0 HG22 ILE A 16 7.567 -2.044 3.764 1.00 73.40 H new ATOM 0 HG23 ILE A 16 6.241 -1.135 3.001 1.00 73.40 H new ATOM 0 HD11 ILE A 16 7.882 0.741 -0.439 1.00 3.53 H new ATOM 0 HD12 ILE A 16 9.192 -0.191 0.324 1.00 3.53 H new ATOM 0 HD13 ILE A 16 7.539 -0.848 0.285 1.00 3.53 H new ATOM 271 N GLU A 17 10.130 1.716 4.293 1.00 20.23 N ATOM 272 CA GLU A 17 11.079 2.835 4.240 1.00 2.12 C ATOM 273 C GLU A 17 12.125 2.613 3.139 1.00 32.43 C ATOM 274 O GLU A 17 12.927 1.680 3.211 1.00 51.24 O ATOM 275 CB GLU A 17 11.771 3.006 5.601 1.00 41.25 C ATOM 276 CG GLU A 17 10.803 3.245 6.758 1.00 30.33 C ATOM 277 CD GLU A 17 11.508 3.476 8.083 1.00 33.51 C ATOM 278 OE1 GLU A 17 11.930 2.488 8.718 1.00 2.33 O ATOM 279 OE2 GLU A 17 11.648 4.649 8.493 1.00 62.23 O ATOM 0 H GLU A 17 10.566 0.801 4.404 1.00 20.23 H new ATOM 0 HA GLU A 17 10.524 3.744 4.006 1.00 2.12 H new ATOM 0 HB2 GLU A 17 12.362 2.115 5.812 1.00 41.25 H new ATOM 0 HB3 GLU A 17 12.466 3.843 5.542 1.00 41.25 H new ATOM 0 HG2 GLU A 17 10.179 4.109 6.530 1.00 30.33 H new ATOM 0 HG3 GLU A 17 10.138 2.386 6.851 1.00 30.33 H new ATOM 286 N LYS A 18 12.109 3.472 2.117 1.00 45.32 N ATOM 287 CA LYS A 18 13.026 3.344 0.971 1.00 31.24 C ATOM 288 C LYS A 18 13.876 4.611 0.780 1.00 41.05 C ATOM 289 O LYS A 18 13.670 5.613 1.463 1.00 12.30 O ATOM 290 CB LYS A 18 12.237 3.043 -0.316 1.00 51.10 C ATOM 291 CG LYS A 18 11.430 1.748 -0.251 1.00 21.51 C ATOM 292 CD LYS A 18 10.830 1.363 -1.607 1.00 64.32 C ATOM 293 CE LYS A 18 9.850 2.406 -2.130 1.00 53.14 C ATOM 294 NZ LYS A 18 9.172 1.957 -3.376 1.00 32.22 N ATOM 0 H LYS A 18 11.472 4.266 2.055 1.00 45.32 H new ATOM 0 HA LYS A 18 13.701 2.515 1.183 1.00 31.24 H new ATOM 0 HB2 LYS A 18 11.560 3.873 -0.520 1.00 51.10 H new ATOM 0 HB3 LYS A 18 12.932 2.986 -1.153 1.00 51.10 H new ATOM 0 HG2 LYS A 18 12.072 0.941 0.101 1.00 21.51 H new ATOM 0 HG3 LYS A 18 10.628 1.859 0.479 1.00 21.51 H new ATOM 0 HD2 LYS A 18 11.634 1.229 -2.331 1.00 64.32 H new ATOM 0 HD3 LYS A 18 10.320 0.404 -1.516 1.00 64.32 H new ATOM 0 HE2 LYS A 18 9.102 2.616 -1.366 1.00 53.14 H new ATOM 0 HE3 LYS A 18 10.381 3.339 -2.322 1.00 53.14 H new ATOM 0 HZ1 LYS A 18 9.030 2.772 -4.007 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 9.761 1.246 -3.855 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 8.250 1.539 -3.138 1.00 32.22 H new ATOM 308 N GLY A 19 14.825 4.562 -0.153 1.00 73.13 N ATOM 309 CA GLY A 19 15.705 5.703 -0.392 1.00 4.34 C ATOM 310 C GLY A 19 17.070 5.549 0.278 1.00 33.13 C ATOM 311 O GLY A 19 17.677 4.475 0.223 1.00 44.20 O ATOM 0 H GLY A 19 15.003 3.754 -0.750 1.00 73.13 H new ATOM 0 HA2 GLY A 19 15.845 5.830 -1.466 1.00 4.34 H new ATOM 0 HA3 GLY A 19 15.225 6.610 -0.024 1.00 4.34 H new ATOM 315 N LYS A 20 17.565 6.619 0.897 1.00 70.34 N ATOM 316 CA LYS A 20 18.853 6.585 1.603 1.00 61.51 C ATOM 317 C LYS A 20 18.711 5.933 2.990 1.00 24.34 C ATOM 318 O LYS A 20 17.635 5.956 3.582 1.00 35.22 O ATOM 319 CB LYS A 20 19.410 8.007 1.762 1.00 5.44 C ATOM 320 CG LYS A 20 19.688 8.713 0.439 1.00 23.13 C ATOM 321 CD LYS A 20 20.233 10.123 0.657 1.00 0.54 C ATOM 322 CE LYS A 20 20.525 10.832 -0.661 1.00 55.50 C ATOM 323 NZ LYS A 20 19.319 10.923 -1.529 1.00 13.25 N ATOM 0 H LYS A 20 17.096 7.524 0.926 1.00 70.34 H new ATOM 0 HA LYS A 20 19.542 5.987 1.007 1.00 61.51 H new ATOM 0 HB2 LYS A 20 18.701 8.602 2.338 1.00 5.44 H new ATOM 0 HB3 LYS A 20 20.333 7.963 2.340 1.00 5.44 H new ATOM 0 HG2 LYS A 20 20.404 8.131 -0.141 1.00 23.13 H new ATOM 0 HG3 LYS A 20 18.770 8.764 -0.147 1.00 23.13 H new ATOM 0 HD2 LYS A 20 19.512 10.706 1.230 1.00 0.54 H new ATOM 0 HD3 LYS A 20 21.146 10.071 1.251 1.00 0.54 H new ATOM 0 HE2 LYS A 20 20.900 11.835 -0.457 1.00 55.50 H new ATOM 0 HE3 LYS A 20 21.313 10.298 -1.192 1.00 55.50 H new ATOM 0 HZ1 LYS A 20 19.510 11.567 -2.323 1.00 13.25 H new ATOM 0 HZ2 LYS A 20 19.085 9.979 -1.898 1.00 13.25 H new ATOM 0 HZ3 LYS A 20 18.518 11.286 -0.974 1.00 13.25 H new ATOM 337 N PRO A 21 19.799 5.343 3.533 1.00 53.22 N ATOM 338 CA PRO A 21 19.785 4.749 4.885 1.00 74.31 C ATOM 339 C PRO A 21 19.392 5.764 5.968 1.00 54.02 C ATOM 340 O PRO A 21 18.605 5.464 6.864 1.00 12.03 O ATOM 341 CB PRO A 21 21.233 4.273 5.086 1.00 2.00 C ATOM 342 CG PRO A 21 21.780 4.121 3.707 1.00 15.42 C ATOM 343 CD PRO A 21 21.115 5.191 2.882 1.00 34.41 C ATOM 0 HA PRO A 21 19.048 3.950 4.969 1.00 74.31 H new ATOM 0 HB2 PRO A 21 21.810 4.996 5.663 1.00 2.00 H new ATOM 0 HB3 PRO A 21 21.267 3.330 5.631 1.00 2.00 H new ATOM 0 HG2 PRO A 21 22.864 4.239 3.701 1.00 15.42 H new ATOM 0 HG3 PRO A 21 21.565 3.130 3.308 1.00 15.42 H new ATOM 0 HD2 PRO A 21 21.682 6.122 2.896 1.00 34.41 H new ATOM 0 HD3 PRO A 21 21.017 4.893 1.838 1.00 34.41 H new ATOM 351 N GLY A 22 19.962 6.965 5.882 1.00 20.12 N ATOM 352 CA GLY A 22 19.622 8.034 6.815 1.00 15.25 C ATOM 353 C GLY A 22 18.352 8.785 6.419 1.00 1.45 C ATOM 354 O GLY A 22 17.484 9.043 7.255 1.00 43.21 O ATOM 0 H GLY A 22 20.657 7.220 5.180 1.00 20.12 H new ATOM 0 HA2 GLY A 22 19.493 7.612 7.812 1.00 15.25 H new ATOM 0 HA3 GLY A 22 20.452 8.738 6.872 1.00 15.25 H new ATOM 358 N GLN A 23 18.247 9.141 5.140 1.00 74.43 N ATOM 359 CA GLN A 23 17.058 9.833 4.622 1.00 31.33 C ATOM 360 C GLN A 23 16.080 8.848 3.972 1.00 33.02 C ATOM 361 O GLN A 23 16.043 8.701 2.747 1.00 23.24 O ATOM 362 CB GLN A 23 17.450 10.936 3.620 1.00 3.22 C ATOM 363 CG GLN A 23 18.236 12.086 4.243 1.00 30.22 C ATOM 364 CD GLN A 23 17.489 12.789 5.369 1.00 45.02 C ATOM 365 OE1 GLN A 23 18.098 13.308 6.299 1.00 71.13 O ATOM 366 NE2 GLN A 23 16.172 12.833 5.292 1.00 41.25 N ATOM 0 H GLN A 23 18.968 8.964 4.440 1.00 74.43 H new ATOM 0 HA GLN A 23 16.558 10.300 5.471 1.00 31.33 H new ATOM 0 HB2 GLN A 23 18.045 10.493 2.821 1.00 3.22 H new ATOM 0 HB3 GLN A 23 16.545 11.334 3.160 1.00 3.22 H new ATOM 0 HG2 GLN A 23 19.182 11.704 4.627 1.00 30.22 H new ATOM 0 HG3 GLN A 23 18.478 12.813 3.468 1.00 30.22 H new ATOM 0 HE21 GLN A 23 15.692 12.393 4.507 1.00 41.25 H new ATOM 0 HE22 GLN A 23 15.634 13.307 6.017 1.00 41.25 H new ATOM 375 N THR A 24 15.307 8.161 4.805 1.00 45.43 N ATOM 376 CA THR A 24 14.299 7.213 4.323 1.00 11.12 C ATOM 377 C THR A 24 12.958 7.903 4.062 1.00 53.44 C ATOM 378 O THR A 24 12.585 8.852 4.752 1.00 64.41 O ATOM 379 CB THR A 24 14.058 6.063 5.331 1.00 63.41 C ATOM 380 OG1 THR A 24 13.618 6.592 6.590 1.00 74.01 O ATOM 381 CG2 THR A 24 15.319 5.232 5.534 1.00 15.35 C ATOM 0 H THR A 24 15.356 8.240 5.821 1.00 45.43 H new ATOM 0 HA THR A 24 14.694 6.805 3.393 1.00 11.12 H new ATOM 0 HB THR A 24 13.284 5.415 4.920 1.00 63.41 H new ATOM 0 HG1 THR A 24 13.467 5.856 7.219 1.00 74.01 H new ATOM 0 HG21 THR A 24 15.117 4.433 6.247 1.00 15.35 H new ATOM 0 HG22 THR A 24 15.627 4.800 4.582 1.00 15.35 H new ATOM 0 HG23 THR A 24 16.116 5.868 5.918 1.00 15.35 H new ATOM 389 N VAL A 25 12.245 7.421 3.054 1.00 0.41 N ATOM 390 CA VAL A 25 10.895 7.899 2.753 1.00 4.12 C ATOM 391 C VAL A 25 9.860 6.821 3.094 1.00 42.01 C ATOM 392 O VAL A 25 9.995 5.663 2.680 1.00 73.44 O ATOM 393 CB VAL A 25 10.757 8.298 1.260 1.00 41.12 C ATOM 394 CG1 VAL A 25 9.359 8.845 0.961 1.00 21.11 C ATOM 395 CG2 VAL A 25 11.835 9.309 0.868 1.00 52.43 C ATOM 0 H VAL A 25 12.579 6.692 2.423 1.00 0.41 H new ATOM 0 HA VAL A 25 10.714 8.783 3.364 1.00 4.12 H new ATOM 0 HB VAL A 25 10.898 7.400 0.658 1.00 41.12 H new ATOM 0 HG11 VAL A 25 9.292 9.116 -0.093 1.00 21.11 H new ATOM 0 HG12 VAL A 25 8.614 8.082 1.187 1.00 21.11 H new ATOM 0 HG13 VAL A 25 9.174 9.726 1.575 1.00 21.11 H new ATOM 0 HG21 VAL A 25 11.720 9.575 -0.183 1.00 52.43 H new ATOM 0 HG22 VAL A 25 11.735 10.204 1.482 1.00 52.43 H new ATOM 0 HG23 VAL A 25 12.820 8.870 1.025 1.00 52.43 H new ATOM 405 N THR A 26 8.842 7.194 3.864 1.00 4.22 N ATOM 406 CA THR A 26 7.787 6.251 4.257 1.00 65.30 C ATOM 407 C THR A 26 6.775 6.051 3.122 1.00 24.24 C ATOM 408 O THR A 26 6.045 6.971 2.750 1.00 51.32 O ATOM 409 CB THR A 26 7.041 6.727 5.533 1.00 61.50 C ATOM 410 OG1 THR A 26 7.961 6.846 6.634 1.00 50.43 O ATOM 411 CG2 THR A 26 5.921 5.760 5.919 1.00 53.01 C ATOM 0 H THR A 26 8.721 8.138 4.230 1.00 4.22 H new ATOM 0 HA THR A 26 8.277 5.301 4.473 1.00 65.30 H new ATOM 0 HB THR A 26 6.601 7.699 5.311 1.00 61.50 H new ATOM 0 HG1 THR A 26 7.479 7.148 7.432 1.00 50.43 H new ATOM 0 HG21 THR A 26 5.420 6.123 6.816 1.00 53.01 H new ATOM 0 HG22 THR A 26 5.201 5.693 5.103 1.00 53.01 H new ATOM 0 HG23 THR A 26 6.343 4.774 6.113 1.00 53.01 H new ATOM 419 N TRP A 27 6.731 4.837 2.584 1.00 70.41 N ATOM 420 CA TRP A 27 5.804 4.497 1.497 1.00 34.33 C ATOM 421 C TRP A 27 4.702 3.544 1.975 1.00 74.25 C ATOM 422 O TRP A 27 4.978 2.531 2.620 1.00 2.20 O ATOM 423 CB TRP A 27 6.569 3.859 0.327 1.00 61.10 C ATOM 424 CG TRP A 27 7.506 4.804 -0.367 1.00 60.12 C ATOM 425 CD1 TRP A 27 8.843 4.972 -0.126 1.00 31.20 C ATOM 426 CD2 TRP A 27 7.169 5.725 -1.410 1.00 14.12 C ATOM 427 NE1 TRP A 27 9.358 5.927 -0.970 1.00 2.54 N ATOM 428 CE2 TRP A 27 8.348 6.409 -1.763 1.00 2.33 C ATOM 429 CE3 TRP A 27 5.982 6.036 -2.080 1.00 45.04 C ATOM 430 CZ2 TRP A 27 8.374 7.382 -2.760 1.00 31.32 C ATOM 431 CZ3 TRP A 27 6.008 7.003 -3.068 1.00 0.01 C ATOM 432 CH2 TRP A 27 7.196 7.668 -3.398 1.00 23.54 C ATOM 0 H TRP A 27 7.327 4.065 2.881 1.00 70.41 H new ATOM 0 HA TRP A 27 5.333 5.422 1.163 1.00 34.33 H new ATOM 0 HB2 TRP A 27 7.136 3.005 0.698 1.00 61.10 H new ATOM 0 HB3 TRP A 27 5.852 3.474 -0.398 1.00 61.10 H new ATOM 0 HD1 TRP A 27 9.410 4.433 0.618 1.00 31.20 H new ATOM 0 HE1 TRP A 27 10.332 6.228 -1.001 1.00 2.54 H new ATOM 0 HE3 TRP A 27 5.061 5.530 -1.830 1.00 45.04 H new ATOM 0 HZ2 TRP A 27 9.290 7.892 -3.020 1.00 31.32 H new ATOM 0 HZ3 TRP A 27 5.098 7.250 -3.594 1.00 0.01 H new ATOM 0 HH2 TRP A 27 7.183 8.422 -4.171 1.00 23.54 H new ATOM 443 N TYR A 28 3.456 3.871 1.657 1.00 32.45 N ATOM 444 CA TYR A 28 2.319 3.013 1.992 1.00 71.22 C ATOM 445 C TYR A 28 1.992 2.073 0.825 1.00 43.04 C ATOM 446 O TYR A 28 1.575 2.518 -0.248 1.00 71.11 O ATOM 447 CB TYR A 28 1.096 3.874 2.336 1.00 74.35 C ATOM 448 CG TYR A 28 1.295 4.753 3.556 1.00 74.04 C ATOM 449 CD1 TYR A 28 2.031 5.931 3.476 1.00 71.02 C ATOM 450 CD2 TYR A 28 0.750 4.403 4.785 1.00 4.33 C ATOM 451 CE1 TYR A 28 2.218 6.730 4.586 1.00 21.35 C ATOM 452 CE2 TYR A 28 0.933 5.201 5.898 1.00 13.13 C ATOM 453 CZ TYR A 28 1.667 6.362 5.793 1.00 23.31 C ATOM 454 OH TYR A 28 1.849 7.162 6.903 1.00 41.31 O ATOM 0 H TYR A 28 3.203 4.728 1.165 1.00 32.45 H new ATOM 0 HA TYR A 28 2.583 2.408 2.859 1.00 71.22 H new ATOM 0 HB2 TYR A 28 0.854 4.504 1.480 1.00 74.35 H new ATOM 0 HB3 TYR A 28 0.239 3.222 2.504 1.00 74.35 H new ATOM 0 HD1 TYR A 28 2.463 6.225 2.531 1.00 71.02 H new ATOM 0 HD2 TYR A 28 0.174 3.493 4.872 1.00 4.33 H new ATOM 0 HE1 TYR A 28 2.794 7.640 4.508 1.00 21.35 H new ATOM 0 HE2 TYR A 28 0.502 4.916 6.846 1.00 13.13 H new ATOM 0 HH TYR A 28 1.395 6.761 7.673 1.00 41.31 H new ATOM 464 N GLN A 29 2.180 0.774 1.041 1.00 1.40 N ATOM 465 CA GLN A 29 1.920 -0.231 0.006 1.00 51.14 C ATOM 466 C GLN A 29 0.544 -0.880 0.181 1.00 1.02 C ATOM 467 O GLN A 29 0.298 -1.587 1.162 1.00 5.21 O ATOM 468 CB GLN A 29 3.001 -1.322 0.020 1.00 4.03 C ATOM 469 CG GLN A 29 4.400 -0.822 -0.312 1.00 70.15 C ATOM 470 CD GLN A 29 5.370 -1.952 -0.600 1.00 34.23 C ATOM 471 OE1 GLN A 29 5.242 -3.053 -0.073 1.00 64.23 O ATOM 472 NE2 GLN A 29 6.346 -1.692 -1.443 1.00 23.40 N ATOM 0 H GLN A 29 2.512 0.389 1.925 1.00 1.40 H new ATOM 0 HA GLN A 29 1.940 0.287 -0.953 1.00 51.14 H new ATOM 0 HB2 GLN A 29 3.018 -1.787 1.006 1.00 4.03 H new ATOM 0 HB3 GLN A 29 2.726 -2.098 -0.694 1.00 4.03 H new ATOM 0 HG2 GLN A 29 4.350 -0.162 -1.178 1.00 70.15 H new ATOM 0 HG3 GLN A 29 4.777 -0.228 0.521 1.00 70.15 H new ATOM 0 HE21 GLN A 29 6.424 -0.766 -1.863 1.00 23.40 H new ATOM 0 HE22 GLN A 29 7.025 -2.417 -1.676 1.00 23.40 H new ATOM 481 N LEU A 30 -0.348 -0.634 -0.769 1.00 13.01 N ATOM 482 CA LEU A 30 -1.662 -1.277 -0.785 1.00 4.20 C ATOM 483 C LEU A 30 -1.556 -2.706 -1.344 1.00 4.44 C ATOM 484 O LEU A 30 -1.175 -2.901 -2.498 1.00 74.41 O ATOM 485 CB LEU A 30 -2.644 -0.451 -1.630 1.00 21.33 C ATOM 486 CG LEU A 30 -4.077 -1.002 -1.693 1.00 44.11 C ATOM 487 CD1 LEU A 30 -4.687 -1.084 -0.296 1.00 63.04 C ATOM 488 CD2 LEU A 30 -4.945 -0.147 -2.617 1.00 24.11 C ATOM 0 H LEU A 30 -0.187 0.009 -1.544 1.00 13.01 H new ATOM 0 HA LEU A 30 -2.034 -1.331 0.238 1.00 4.20 H new ATOM 0 HB2 LEU A 30 -2.679 0.563 -1.230 1.00 21.33 H new ATOM 0 HB3 LEU A 30 -2.254 -0.380 -2.645 1.00 21.33 H new ATOM 0 HG LEU A 30 -4.037 -2.011 -2.104 1.00 44.11 H new ATOM 0 HD11 LEU A 30 -5.702 -1.477 -0.364 1.00 63.04 H new ATOM 0 HD12 LEU A 30 -4.083 -1.745 0.326 1.00 63.04 H new ATOM 0 HD13 LEU A 30 -4.712 -0.089 0.149 1.00 63.04 H new ATOM 0 HD21 LEU A 30 -5.955 -0.555 -2.647 1.00 24.11 H new ATOM 0 HD22 LEU A 30 -4.977 0.876 -2.242 1.00 24.11 H new ATOM 0 HD23 LEU A 30 -4.522 -0.152 -3.621 1.00 24.11 H new ATOM 500 N ARG A 31 -1.871 -3.700 -0.517 1.00 40.44 N ATOM 501 CA ARG A 31 -1.754 -5.111 -0.910 1.00 23.22 C ATOM 502 C ARG A 31 -3.043 -5.896 -0.624 1.00 3.03 C ATOM 503 O ARG A 31 -3.954 -5.395 0.030 1.00 1.13 O ATOM 504 CB ARG A 31 -0.579 -5.759 -0.161 1.00 34.40 C ATOM 505 CG ARG A 31 0.785 -5.157 -0.493 1.00 2.44 C ATOM 506 CD ARG A 31 1.906 -5.839 0.278 1.00 60.54 C ATOM 507 NE ARG A 31 3.223 -5.349 -0.121 1.00 40.23 N ATOM 508 CZ ARG A 31 4.221 -6.122 -0.464 1.00 32.15 C ATOM 509 NH1 ARG A 31 4.097 -7.409 -0.441 1.00 44.40 N ATOM 510 NH2 ARG A 31 5.348 -5.606 -0.816 1.00 71.14 N ATOM 0 H ARG A 31 -2.211 -3.558 0.434 1.00 40.44 H new ATOM 0 HA ARG A 31 -1.578 -5.142 -1.985 1.00 23.22 H new ATOM 0 HB2 ARG A 31 -0.752 -5.668 0.911 1.00 34.40 H new ATOM 0 HB3 ARG A 31 -0.559 -6.824 -0.392 1.00 34.40 H new ATOM 0 HG2 ARG A 31 0.972 -5.248 -1.563 1.00 2.44 H new ATOM 0 HG3 ARG A 31 0.779 -4.092 -0.260 1.00 2.44 H new ATOM 0 HD2 ARG A 31 1.765 -5.671 1.346 1.00 60.54 H new ATOM 0 HD3 ARG A 31 1.855 -6.916 0.115 1.00 60.54 H new ATOM 0 HE ARG A 31 3.374 -4.340 -0.133 1.00 40.23 H new ATOM 0 HH11 ARG A 31 3.214 -7.831 -0.153 1.00 44.40 H new ATOM 0 HH12 ARG A 31 4.882 -8.002 -0.711 1.00 44.40 H new ATOM 0 HH21 ARG A 31 5.463 -4.593 -0.828 1.00 71.14 H new ATOM 0 HH22 ARG A 31 6.125 -6.211 -1.083 1.00 71.14 H new ATOM 524 N ALA A 32 -3.108 -7.132 -1.122 1.00 73.52 N ATOM 525 CA ALA A 32 -4.243 -8.025 -0.849 1.00 22.42 C ATOM 526 C ALA A 32 -3.761 -9.449 -0.514 1.00 13.31 C ATOM 527 O ALA A 32 -2.590 -9.784 -0.705 1.00 54.32 O ATOM 528 CB ALA A 32 -5.199 -8.048 -2.039 1.00 55.03 C ATOM 0 H ALA A 32 -2.388 -7.541 -1.718 1.00 73.52 H new ATOM 0 HA ALA A 32 -4.776 -7.639 0.020 1.00 22.42 H new ATOM 0 HB1 ALA A 32 -6.034 -8.714 -1.822 1.00 55.03 H new ATOM 0 HB2 ALA A 32 -5.575 -7.042 -2.223 1.00 55.03 H new ATOM 0 HB3 ALA A 32 -4.671 -8.405 -2.923 1.00 55.03 H new ATOM 534 N ASP A 33 -4.664 -10.280 0.008 1.00 51.22 N ATOM 535 CA ASP A 33 -4.325 -11.665 0.368 1.00 11.35 C ATOM 536 C ASP A 33 -4.680 -12.662 -0.750 1.00 23.23 C ATOM 537 O ASP A 33 -4.313 -13.835 -0.688 1.00 71.11 O ATOM 538 CB ASP A 33 -5.040 -12.057 1.664 1.00 52.44 C ATOM 539 CG ASP A 33 -4.590 -11.208 2.841 1.00 31.40 C ATOM 540 OD1 ASP A 33 -3.487 -11.462 3.375 1.00 74.04 O ATOM 541 OD2 ASP A 33 -5.329 -10.284 3.237 1.00 71.41 O ATOM 0 H ASP A 33 -5.634 -10.023 0.192 1.00 51.22 H new ATOM 0 HA ASP A 33 -3.246 -11.709 0.513 1.00 11.35 H new ATOM 0 HB2 ASP A 33 -6.117 -11.951 1.531 1.00 52.44 H new ATOM 0 HB3 ASP A 33 -4.848 -13.108 1.880 1.00 52.44 H new ATOM 546 N HIS A 34 -5.403 -12.195 -1.764 1.00 44.31 N ATOM 547 CA HIS A 34 -5.802 -13.045 -2.892 1.00 14.11 C ATOM 548 C HIS A 34 -5.762 -12.258 -4.216 1.00 24.41 C ATOM 549 O HIS A 34 -5.968 -11.046 -4.219 1.00 54.42 O ATOM 550 CB HIS A 34 -7.211 -13.622 -2.660 1.00 22.02 C ATOM 551 CG HIS A 34 -7.276 -14.627 -1.546 1.00 12.42 C ATOM 552 ND1 HIS A 34 -8.006 -14.436 -0.392 1.00 1.51 N ATOM 553 CD2 HIS A 34 -6.694 -15.846 -1.416 1.00 24.03 C ATOM 554 CE1 HIS A 34 -7.869 -15.483 0.393 1.00 42.13 C ATOM 555 NE2 HIS A 34 -7.082 -16.352 -0.202 1.00 50.02 N ATOM 0 H HIS A 34 -5.727 -11.230 -1.832 1.00 44.31 H new ATOM 0 HA HIS A 34 -5.091 -13.869 -2.961 1.00 14.11 H new ATOM 0 HB2 HIS A 34 -7.897 -12.804 -2.440 1.00 22.02 H new ATOM 0 HB3 HIS A 34 -7.558 -14.091 -3.581 1.00 22.02 H new ATOM 0 HD2 HIS A 34 -6.047 -16.327 -2.134 1.00 24.03 H new ATOM 0 HE1 HIS A 34 -8.326 -15.608 1.363 1.00 42.13 H new ATOM 0 HE2 HIS A 34 -6.805 -17.257 0.178 1.00 50.02 H new ATOM 564 N PRO A 35 -5.479 -12.922 -5.364 1.00 13.51 N ATOM 565 CA PRO A 35 -5.182 -14.372 -5.441 1.00 45.24 C ATOM 566 C PRO A 35 -3.816 -14.746 -4.834 1.00 52.21 C ATOM 567 O PRO A 35 -3.591 -15.896 -4.453 1.00 44.41 O ATOM 568 CB PRO A 35 -5.194 -14.666 -6.958 1.00 34.24 C ATOM 569 CG PRO A 35 -5.807 -13.456 -7.591 1.00 70.43 C ATOM 570 CD PRO A 35 -5.454 -12.302 -6.695 1.00 41.32 C ATOM 0 HA PRO A 35 -5.905 -14.954 -4.870 1.00 45.24 H new ATOM 0 HB2 PRO A 35 -4.185 -14.837 -7.333 1.00 34.24 H new ATOM 0 HB3 PRO A 35 -5.773 -15.562 -7.180 1.00 34.24 H new ATOM 0 HG2 PRO A 35 -5.419 -13.302 -8.598 1.00 70.43 H new ATOM 0 HG3 PRO A 35 -6.888 -13.566 -7.679 1.00 70.43 H new ATOM 0 HD2 PRO A 35 -4.474 -11.887 -6.932 1.00 41.32 H new ATOM 0 HD3 PRO A 35 -6.173 -11.487 -6.778 1.00 41.32 H new ATOM 578 N LYS A 36 -2.914 -13.772 -4.746 1.00 54.22 N ATOM 579 CA LYS A 36 -1.597 -13.981 -4.127 1.00 73.02 C ATOM 580 C LYS A 36 -1.420 -13.068 -2.907 1.00 53.13 C ATOM 581 O LYS A 36 -1.738 -11.881 -2.969 1.00 65.44 O ATOM 582 CB LYS A 36 -0.471 -13.690 -5.133 1.00 44.14 C ATOM 583 CG LYS A 36 -0.461 -14.601 -6.357 1.00 31.23 C ATOM 584 CD LYS A 36 -0.058 -16.031 -6.000 1.00 21.40 C ATOM 585 CE LYS A 36 0.056 -16.920 -7.236 1.00 71.22 C ATOM 586 NZ LYS A 36 0.554 -18.280 -6.900 1.00 23.12 N ATOM 0 H LYS A 36 -3.067 -12.826 -5.095 1.00 54.22 H new ATOM 0 HA LYS A 36 -1.543 -15.023 -3.812 1.00 73.02 H new ATOM 0 HB2 LYS A 36 -0.558 -12.656 -5.467 1.00 44.14 H new ATOM 0 HB3 LYS A 36 0.487 -13.780 -4.622 1.00 44.14 H new ATOM 0 HG2 LYS A 36 -1.451 -14.606 -6.814 1.00 31.23 H new ATOM 0 HG3 LYS A 36 0.231 -14.204 -7.100 1.00 31.23 H new ATOM 0 HD2 LYS A 36 0.897 -16.018 -5.474 1.00 21.40 H new ATOM 0 HD3 LYS A 36 -0.793 -16.454 -5.316 1.00 21.40 H new ATOM 0 HE2 LYS A 36 -0.919 -16.999 -7.717 1.00 71.22 H new ATOM 0 HE3 LYS A 36 0.729 -16.455 -7.956 1.00 71.22 H new ATOM 0 HZ1 LYS A 36 0.617 -18.851 -7.767 1.00 23.12 H new ATOM 0 HZ2 LYS A 36 1.496 -18.207 -6.465 1.00 23.12 H new ATOM 0 HZ3 LYS A 36 -0.101 -18.735 -6.233 1.00 23.12 H new ATOM 600 N PRO A 37 -0.900 -13.601 -1.784 1.00 2.41 N ATOM 601 CA PRO A 37 -0.579 -12.781 -0.599 1.00 41.34 C ATOM 602 C PRO A 37 0.440 -11.678 -0.933 1.00 34.11 C ATOM 603 O PRO A 37 0.479 -10.622 -0.298 1.00 53.20 O ATOM 604 CB PRO A 37 0.028 -13.792 0.390 1.00 64.11 C ATOM 605 CG PRO A 37 -0.451 -15.130 -0.077 1.00 31.21 C ATOM 606 CD PRO A 37 -0.591 -15.025 -1.574 1.00 51.21 C ATOM 0 HA PRO A 37 -1.454 -12.264 -0.206 1.00 41.34 H new ATOM 0 HB2 PRO A 37 1.117 -13.740 0.388 1.00 64.11 H new ATOM 0 HB3 PRO A 37 -0.299 -13.590 1.410 1.00 64.11 H new ATOM 0 HG2 PRO A 37 0.257 -15.914 0.194 1.00 31.21 H new ATOM 0 HG3 PRO A 37 -1.404 -15.386 0.386 1.00 31.21 H new ATOM 0 HD2 PRO A 37 0.326 -15.318 -2.086 1.00 51.21 H new ATOM 0 HD3 PRO A 37 -1.386 -15.669 -1.950 1.00 51.21 H new ATOM 614 N ASP A 38 1.257 -11.950 -1.946 1.00 74.14 N ATOM 615 CA ASP A 38 2.288 -11.025 -2.418 1.00 72.24 C ATOM 616 C ASP A 38 1.709 -9.888 -3.285 1.00 12.24 C ATOM 617 O ASP A 38 2.448 -9.007 -3.731 1.00 5.23 O ATOM 618 CB ASP A 38 3.313 -11.804 -3.247 1.00 21.33 C ATOM 619 CG ASP A 38 3.906 -12.980 -2.500 1.00 74.23 C ATOM 620 OD1 ASP A 38 3.220 -14.021 -2.386 1.00 65.41 O ATOM 621 OD2 ASP A 38 5.063 -12.879 -2.039 1.00 44.31 O ATOM 0 H ASP A 38 1.224 -12.825 -2.468 1.00 74.14 H new ATOM 0 HA ASP A 38 2.749 -10.571 -1.541 1.00 72.24 H new ATOM 0 HB2 ASP A 38 2.837 -12.163 -4.160 1.00 21.33 H new ATOM 0 HB3 ASP A 38 4.115 -11.131 -3.549 1.00 21.33 H new ATOM 626 N SER A 39 0.399 -9.917 -3.529 1.00 73.31 N ATOM 627 CA SER A 39 -0.243 -8.963 -4.448 1.00 60.02 C ATOM 628 C SER A 39 -0.027 -7.504 -4.019 1.00 1.11 C ATOM 629 O SER A 39 -0.562 -7.050 -3.011 1.00 3.22 O ATOM 630 CB SER A 39 -1.746 -9.248 -4.558 1.00 41.32 C ATOM 631 OG SER A 39 -2.394 -9.081 -3.309 1.00 64.04 O ATOM 0 H SER A 39 -0.242 -10.588 -3.106 1.00 73.31 H new ATOM 0 HA SER A 39 0.229 -9.099 -5.421 1.00 60.02 H new ATOM 0 HB2 SER A 39 -2.192 -8.579 -5.294 1.00 41.32 H new ATOM 0 HB3 SER A 39 -1.900 -10.266 -4.917 1.00 41.32 H new ATOM 0 HG SER A 39 -2.245 -9.875 -2.755 1.00 64.04 H new ATOM 637 N LEU A 40 0.772 -6.780 -4.800 1.00 41.34 N ATOM 638 CA LEU A 40 1.009 -5.352 -4.571 1.00 0.02 C ATOM 639 C LEU A 40 0.222 -4.507 -5.586 1.00 62.13 C ATOM 640 O LEU A 40 0.484 -4.560 -6.789 1.00 14.12 O ATOM 641 CB LEU A 40 2.514 -5.041 -4.670 1.00 45.24 C ATOM 642 CG LEU A 40 2.903 -3.563 -4.483 1.00 31.30 C ATOM 643 CD1 LEU A 40 2.431 -3.044 -3.129 1.00 61.14 C ATOM 644 CD2 LEU A 40 4.413 -3.382 -4.634 1.00 71.41 C ATOM 0 H LEU A 40 1.271 -7.161 -5.604 1.00 41.34 H new ATOM 0 HA LEU A 40 0.663 -5.098 -3.569 1.00 0.02 H new ATOM 0 HB2 LEU A 40 3.039 -5.634 -3.921 1.00 45.24 H new ATOM 0 HB3 LEU A 40 2.871 -5.371 -5.645 1.00 45.24 H new ATOM 0 HG LEU A 40 2.408 -2.980 -5.260 1.00 31.30 H new ATOM 0 HD11 LEU A 40 2.718 -1.998 -3.020 1.00 61.14 H new ATOM 0 HD12 LEU A 40 1.347 -3.132 -3.064 1.00 61.14 H new ATOM 0 HD13 LEU A 40 2.891 -3.631 -2.334 1.00 61.14 H new ATOM 0 HD21 LEU A 40 4.669 -2.331 -4.499 1.00 71.41 H new ATOM 0 HD22 LEU A 40 4.928 -3.981 -3.883 1.00 71.41 H new ATOM 0 HD23 LEU A 40 4.721 -3.705 -5.629 1.00 71.41 H new ATOM 656 N ILE A 41 -0.745 -3.740 -5.090 1.00 61.33 N ATOM 657 CA ILE A 41 -1.605 -2.915 -5.946 1.00 30.15 C ATOM 658 C ILE A 41 -0.948 -1.564 -6.291 1.00 3.12 C ATOM 659 O ILE A 41 -0.830 -1.202 -7.461 1.00 31.21 O ATOM 660 CB ILE A 41 -2.973 -2.651 -5.264 1.00 74.34 C ATOM 661 CG1 ILE A 41 -3.638 -3.978 -4.851 1.00 70.32 C ATOM 662 CG2 ILE A 41 -3.894 -1.846 -6.182 1.00 4.21 C ATOM 663 CD1 ILE A 41 -3.936 -4.912 -6.007 1.00 14.03 C ATOM 0 H ILE A 41 -0.957 -3.670 -4.095 1.00 61.33 H new ATOM 0 HA ILE A 41 -1.756 -3.475 -6.869 1.00 30.15 H new ATOM 0 HB ILE A 41 -2.796 -2.062 -4.364 1.00 74.34 H new ATOM 0 HG12 ILE A 41 -2.988 -4.492 -4.142 1.00 70.32 H new ATOM 0 HG13 ILE A 41 -4.569 -3.757 -4.328 1.00 70.32 H new ATOM 0 HG21 ILE A 41 -4.847 -1.674 -5.681 1.00 4.21 H new ATOM 0 HG22 ILE A 41 -3.429 -0.888 -6.415 1.00 4.21 H new ATOM 0 HG23 ILE A 41 -4.064 -2.401 -7.104 1.00 4.21 H new ATOM 0 HD11 ILE A 41 -4.403 -5.821 -5.629 1.00 14.03 H new ATOM 0 HD12 ILE A 41 -4.612 -4.421 -6.707 1.00 14.03 H new ATOM 0 HD13 ILE A 41 -3.007 -5.166 -6.518 1.00 14.03 H new ATOM 675 N SER A 42 -0.521 -0.821 -5.266 1.00 2.43 N ATOM 676 CA SER A 42 0.035 0.530 -5.472 1.00 64.24 C ATOM 677 C SER A 42 0.836 1.025 -4.257 1.00 30.23 C ATOM 678 O SER A 42 0.634 0.560 -3.134 1.00 63.41 O ATOM 679 CB SER A 42 -1.094 1.528 -5.767 1.00 11.35 C ATOM 680 OG SER A 42 -0.584 2.832 -6.001 1.00 44.35 O ATOM 0 H SER A 42 -0.547 -1.123 -4.292 1.00 2.43 H new ATOM 0 HA SER A 42 0.715 0.465 -6.321 1.00 64.24 H new ATOM 0 HB2 SER A 42 -1.658 1.195 -6.638 1.00 11.35 H new ATOM 0 HB3 SER A 42 -1.789 1.553 -4.927 1.00 11.35 H new ATOM 0 HG SER A 42 -1.024 3.468 -5.400 1.00 44.35 H new ATOM 686 N GLU A 43 1.738 1.981 -4.494 1.00 22.11 N ATOM 687 CA GLU A 43 2.539 2.601 -3.425 1.00 43.41 C ATOM 688 C GLU A 43 2.300 4.121 -3.376 1.00 73.02 C ATOM 689 O GLU A 43 2.576 4.833 -4.346 1.00 72.13 O ATOM 690 CB GLU A 43 4.034 2.318 -3.654 1.00 40.33 C ATOM 691 CG GLU A 43 4.400 0.841 -3.569 1.00 71.04 C ATOM 692 CD GLU A 43 5.822 0.558 -4.030 1.00 4.52 C ATOM 693 OE1 GLU A 43 6.753 0.603 -3.196 1.00 41.02 O ATOM 694 OE2 GLU A 43 6.012 0.287 -5.235 1.00 34.40 O ATOM 0 H GLU A 43 1.936 2.348 -5.425 1.00 22.11 H new ATOM 0 HA GLU A 43 2.231 2.169 -2.473 1.00 43.41 H new ATOM 0 HB2 GLU A 43 4.320 2.698 -4.635 1.00 40.33 H new ATOM 0 HB3 GLU A 43 4.616 2.870 -2.916 1.00 40.33 H new ATOM 0 HG2 GLU A 43 4.282 0.501 -2.540 1.00 71.04 H new ATOM 0 HG3 GLU A 43 3.704 0.263 -4.177 1.00 71.04 H new ATOM 701 N HIS A 44 1.781 4.617 -2.249 1.00 4.03 N ATOM 702 CA HIS A 44 1.480 6.052 -2.090 1.00 74.00 C ATOM 703 C HIS A 44 2.209 6.645 -0.865 1.00 14.32 C ATOM 704 O HIS A 44 2.348 5.981 0.159 1.00 63.43 O ATOM 705 CB HIS A 44 -0.042 6.267 -1.963 1.00 70.21 C ATOM 706 CG HIS A 44 -0.833 5.840 -3.173 1.00 34.42 C ATOM 707 ND1 HIS A 44 -2.210 5.742 -3.175 1.00 12.13 N ATOM 708 CD2 HIS A 44 -0.445 5.486 -4.420 1.00 44.23 C ATOM 709 CE1 HIS A 44 -2.625 5.345 -4.359 1.00 65.41 C ATOM 710 NE2 HIS A 44 -1.576 5.183 -5.132 1.00 43.33 N ATOM 0 H HIS A 44 1.559 4.050 -1.431 1.00 4.03 H new ATOM 0 HA HIS A 44 1.839 6.572 -2.978 1.00 74.00 H new ATOM 0 HB2 HIS A 44 -0.403 5.716 -1.095 1.00 70.21 H new ATOM 0 HB3 HIS A 44 -0.233 7.323 -1.773 1.00 70.21 H new ATOM 0 HD2 HIS A 44 0.570 5.449 -4.787 1.00 44.23 H new ATOM 0 HE1 HIS A 44 -3.653 5.180 -4.646 1.00 65.41 H new ATOM 0 HE2 HIS A 44 -1.599 4.880 -6.106 1.00 43.33 H new ATOM 719 N PRO A 45 2.677 7.910 -0.956 1.00 12.51 N ATOM 720 CA PRO A 45 3.454 8.554 0.128 1.00 2.30 C ATOM 721 C PRO A 45 2.626 8.883 1.388 1.00 44.15 C ATOM 722 O PRO A 45 3.178 9.027 2.482 1.00 32.44 O ATOM 723 CB PRO A 45 3.970 9.842 -0.534 1.00 21.45 C ATOM 724 CG PRO A 45 2.969 10.145 -1.598 1.00 42.14 C ATOM 725 CD PRO A 45 2.504 8.809 -2.116 1.00 20.12 C ATOM 0 HA PRO A 45 4.235 7.891 0.500 1.00 2.30 H new ATOM 0 HB2 PRO A 45 4.042 10.657 0.186 1.00 21.45 H new ATOM 0 HB3 PRO A 45 4.965 9.700 -0.955 1.00 21.45 H new ATOM 0 HG2 PRO A 45 2.135 10.721 -1.198 1.00 42.14 H new ATOM 0 HG3 PRO A 45 3.414 10.740 -2.395 1.00 42.14 H new ATOM 0 HD2 PRO A 45 1.465 8.845 -2.444 1.00 20.12 H new ATOM 0 HD3 PRO A 45 3.097 8.481 -2.970 1.00 20.12 H new ATOM 733 N THR A 46 1.307 9.013 1.236 1.00 71.51 N ATOM 734 CA THR A 46 0.419 9.301 2.376 1.00 21.24 C ATOM 735 C THR A 46 -0.638 8.202 2.558 1.00 63.14 C ATOM 736 O THR A 46 -1.019 7.518 1.602 1.00 45.44 O ATOM 737 CB THR A 46 -0.306 10.662 2.218 1.00 61.12 C ATOM 738 OG1 THR A 46 -1.154 10.641 1.061 1.00 61.14 O ATOM 739 CG2 THR A 46 0.693 11.813 2.104 1.00 24.45 C ATOM 0 H THR A 46 0.826 8.925 0.341 1.00 71.51 H new ATOM 0 HA THR A 46 1.062 9.339 3.255 1.00 21.24 H new ATOM 0 HB THR A 46 -0.913 10.822 3.109 1.00 61.12 H new ATOM 0 HG1 THR A 46 -0.605 10.553 0.254 1.00 61.14 H new ATOM 0 HG21 THR A 46 0.153 12.754 1.994 1.00 24.45 H new ATOM 0 HG22 THR A 46 1.309 11.851 3.003 1.00 24.45 H new ATOM 0 HG23 THR A 46 1.330 11.657 1.234 1.00 24.45 H new ATOM 747 N ALA A 47 -1.120 8.046 3.790 1.00 43.53 N ATOM 748 CA ALA A 47 -2.092 6.997 4.113 1.00 60.33 C ATOM 749 C ALA A 47 -3.460 7.270 3.472 1.00 51.22 C ATOM 750 O ALA A 47 -4.067 6.374 2.892 1.00 65.12 O ATOM 751 CB ALA A 47 -2.228 6.847 5.625 1.00 25.22 C ATOM 0 H ALA A 47 -0.855 8.631 4.582 1.00 43.53 H new ATOM 0 HA ALA A 47 -1.719 6.061 3.697 1.00 60.33 H new ATOM 0 HB1 ALA A 47 -2.953 6.065 5.849 1.00 25.22 H new ATOM 0 HB2 ALA A 47 -1.262 6.580 6.052 1.00 25.22 H new ATOM 0 HB3 ALA A 47 -2.567 7.790 6.055 1.00 25.22 H new ATOM 757 N GLN A 48 -3.933 8.512 3.571 1.00 40.12 N ATOM 758 CA GLN A 48 -5.226 8.904 2.986 1.00 20.32 C ATOM 759 C GLN A 48 -5.260 8.583 1.479 1.00 31.01 C ATOM 760 O GLN A 48 -6.188 7.932 0.989 1.00 23.11 O ATOM 761 CB GLN A 48 -5.476 10.408 3.223 1.00 4.34 C ATOM 762 CG GLN A 48 -6.945 10.855 3.165 1.00 64.32 C ATOM 763 CD GLN A 48 -7.605 10.657 1.807 1.00 2.10 C ATOM 764 OE1 GLN A 48 -7.533 11.515 0.935 1.00 41.32 O ATOM 765 NE2 GLN A 48 -8.285 9.541 1.629 1.00 43.51 N ATOM 0 H GLN A 48 -3.444 9.268 4.050 1.00 40.12 H new ATOM 0 HA GLN A 48 -6.017 8.334 3.473 1.00 20.32 H new ATOM 0 HB2 GLN A 48 -5.072 10.676 4.199 1.00 4.34 H new ATOM 0 HB3 GLN A 48 -4.914 10.973 2.480 1.00 4.34 H new ATOM 0 HG2 GLN A 48 -7.511 10.303 3.915 1.00 64.32 H new ATOM 0 HG3 GLN A 48 -7.003 11.910 3.434 1.00 64.32 H new ATOM 0 HE21 GLN A 48 -8.327 8.845 2.373 1.00 43.51 H new ATOM 0 HE22 GLN A 48 -8.769 9.374 0.747 1.00 43.51 H new ATOM 774 N GLU A 49 -4.228 9.023 0.756 1.00 31.22 N ATOM 775 CA GLU A 49 -4.114 8.766 -0.688 1.00 51.00 C ATOM 776 C GLU A 49 -4.172 7.251 -0.972 1.00 15.11 C ATOM 777 O GLU A 49 -4.792 6.803 -1.938 1.00 73.03 O ATOM 778 CB GLU A 49 -2.791 9.369 -1.211 1.00 22.11 C ATOM 779 CG GLU A 49 -2.861 9.974 -2.618 1.00 40.30 C ATOM 780 CD GLU A 49 -2.695 8.952 -3.733 1.00 44.21 C ATOM 781 OE1 GLU A 49 -1.542 8.689 -4.134 1.00 73.31 O ATOM 782 OE2 GLU A 49 -3.708 8.417 -4.222 1.00 73.12 O ATOM 0 H GLU A 49 -3.454 9.562 1.146 1.00 31.22 H new ATOM 0 HA GLU A 49 -4.950 9.237 -1.206 1.00 51.00 H new ATOM 0 HB2 GLU A 49 -2.463 10.142 -0.516 1.00 22.11 H new ATOM 0 HB3 GLU A 49 -2.028 8.591 -1.205 1.00 22.11 H new ATOM 0 HG2 GLU A 49 -3.820 10.478 -2.740 1.00 40.30 H new ATOM 0 HG3 GLU A 49 -2.086 10.734 -2.716 1.00 40.30 H new ATOM 789 N ALA A 50 -3.525 6.463 -0.111 1.00 22.23 N ATOM 790 CA ALA A 50 -3.543 5.000 -0.227 1.00 13.11 C ATOM 791 C ALA A 50 -4.931 4.415 0.103 1.00 3.33 C ATOM 792 O ALA A 50 -5.414 3.509 -0.579 1.00 3.31 O ATOM 793 CB ALA A 50 -2.476 4.392 0.681 1.00 45.34 C ATOM 0 H ALA A 50 -2.980 6.813 0.677 1.00 22.23 H new ATOM 0 HA ALA A 50 -3.322 4.744 -1.263 1.00 13.11 H new ATOM 0 HB1 ALA A 50 -2.496 3.306 0.589 1.00 45.34 H new ATOM 0 HB2 ALA A 50 -1.494 4.763 0.388 1.00 45.34 H new ATOM 0 HB3 ALA A 50 -2.676 4.672 1.715 1.00 45.34 H new ATOM 799 N MET A 51 -5.571 4.953 1.140 1.00 54.12 N ATOM 800 CA MET A 51 -6.890 4.473 1.577 1.00 44.41 C ATOM 801 C MET A 51 -7.984 4.777 0.547 1.00 44.35 C ATOM 802 O MET A 51 -8.921 3.997 0.378 1.00 60.04 O ATOM 803 CB MET A 51 -7.272 5.093 2.926 1.00 63.30 C ATOM 804 CG MET A 51 -6.389 4.646 4.081 1.00 50.34 C ATOM 805 SD MET A 51 -6.885 5.379 5.652 1.00 65.54 S ATOM 806 CE MET A 51 -8.575 4.797 5.781 1.00 15.00 C ATOM 0 H MET A 51 -5.200 5.723 1.697 1.00 54.12 H new ATOM 0 HA MET A 51 -6.814 3.391 1.681 1.00 44.41 H new ATOM 0 HB2 MET A 51 -7.223 6.179 2.843 1.00 63.30 H new ATOM 0 HB3 MET A 51 -8.307 4.837 3.152 1.00 63.30 H new ATOM 0 HG2 MET A 51 -6.425 3.560 4.163 1.00 50.34 H new ATOM 0 HG3 MET A 51 -5.354 4.915 3.869 1.00 50.34 H new ATOM 0 HE1 MET A 51 -8.807 4.582 6.824 1.00 15.00 H new ATOM 0 HE2 MET A 51 -9.254 5.565 5.409 1.00 15.00 H new ATOM 0 HE3 MET A 51 -8.694 3.890 5.189 1.00 15.00 H new ATOM 816 N ASP A 52 -7.869 5.911 -0.137 1.00 62.12 N ATOM 817 CA ASP A 52 -8.856 6.293 -1.146 1.00 53.20 C ATOM 818 C ASP A 52 -8.854 5.295 -2.326 1.00 31.21 C ATOM 819 O ASP A 52 -9.877 5.071 -2.971 1.00 31.42 O ATOM 820 CB ASP A 52 -8.604 7.726 -1.627 1.00 60.14 C ATOM 821 CG ASP A 52 -9.861 8.359 -2.198 1.00 14.41 C ATOM 822 OD1 ASP A 52 -10.752 8.735 -1.401 1.00 75.03 O ATOM 823 OD2 ASP A 52 -9.970 8.479 -3.436 1.00 71.34 O ATOM 0 H ASP A 52 -7.108 6.579 -0.014 1.00 62.12 H new ATOM 0 HA ASP A 52 -9.846 6.260 -0.690 1.00 53.20 H new ATOM 0 HB2 ASP A 52 -8.239 8.329 -0.796 1.00 60.14 H new ATOM 0 HB3 ASP A 52 -7.822 7.722 -2.386 1.00 60.14 H new ATOM 828 N ALA A 53 -7.691 4.711 -2.607 1.00 71.21 N ATOM 829 CA ALA A 53 -7.590 3.601 -3.566 1.00 11.10 C ATOM 830 C ALA A 53 -8.109 2.292 -2.938 1.00 72.33 C ATOM 831 O ALA A 53 -8.809 1.505 -3.581 1.00 54.43 O ATOM 832 CB ALA A 53 -6.146 3.440 -4.033 1.00 72.43 C ATOM 0 H ALA A 53 -6.803 4.984 -2.187 1.00 71.21 H new ATOM 0 HA ALA A 53 -8.211 3.830 -4.432 1.00 11.10 H new ATOM 0 HB1 ALA A 53 -6.083 2.615 -4.743 1.00 72.43 H new ATOM 0 HB2 ALA A 53 -5.815 4.360 -4.515 1.00 72.43 H new ATOM 0 HB3 ALA A 53 -5.507 3.230 -3.175 1.00 72.43 H new ATOM 838 N LYS A 54 -7.770 2.091 -1.663 1.00 33.03 N ATOM 839 CA LYS A 54 -8.183 0.899 -0.906 1.00 51.23 C ATOM 840 C LYS A 54 -9.712 0.710 -0.931 1.00 11.43 C ATOM 841 O LYS A 54 -10.205 -0.387 -1.203 1.00 41.55 O ATOM 842 CB LYS A 54 -7.677 1.021 0.543 1.00 22.32 C ATOM 843 CG LYS A 54 -7.967 -0.186 1.432 1.00 2.34 C ATOM 844 CD LYS A 54 -7.364 0.000 2.826 1.00 75.32 C ATOM 845 CE LYS A 54 -7.551 -1.231 3.712 1.00 32.10 C ATOM 846 NZ LYS A 54 -8.979 -1.483 4.041 1.00 31.22 N ATOM 0 H LYS A 54 -7.203 2.746 -1.124 1.00 33.03 H new ATOM 0 HA LYS A 54 -7.744 0.019 -1.377 1.00 51.23 H new ATOM 0 HB2 LYS A 54 -6.600 1.188 0.523 1.00 22.32 H new ATOM 0 HB3 LYS A 54 -8.128 1.904 0.996 1.00 22.32 H new ATOM 0 HG2 LYS A 54 -9.044 -0.330 1.515 1.00 2.34 H new ATOM 0 HG3 LYS A 54 -7.559 -1.086 0.973 1.00 2.34 H new ATOM 0 HD2 LYS A 54 -6.300 0.218 2.732 1.00 75.32 H new ATOM 0 HD3 LYS A 54 -7.825 0.863 3.306 1.00 75.32 H new ATOM 0 HE2 LYS A 54 -7.138 -2.104 3.207 1.00 32.10 H new ATOM 0 HE3 LYS A 54 -6.986 -1.100 4.635 1.00 32.10 H new ATOM 0 HZ1 LYS A 54 -9.197 -2.489 3.892 1.00 31.22 H new ATOM 0 HZ2 LYS A 54 -9.155 -1.234 5.035 1.00 31.22 H new ATOM 0 HZ3 LYS A 54 -9.585 -0.903 3.426 1.00 31.22 H new ATOM 860 N LYS A 55 -10.452 1.790 -0.663 1.00 62.10 N ATOM 861 CA LYS A 55 -11.924 1.749 -0.668 1.00 33.03 C ATOM 862 C LYS A 55 -12.472 1.279 -2.030 1.00 72.15 C ATOM 863 O LYS A 55 -13.437 0.526 -2.090 1.00 64.42 O ATOM 864 CB LYS A 55 -12.510 3.131 -0.319 1.00 15.24 C ATOM 865 CG LYS A 55 -12.199 4.207 -1.357 1.00 74.53 C ATOM 866 CD LYS A 55 -12.836 5.561 -1.031 1.00 43.45 C ATOM 867 CE LYS A 55 -12.283 6.168 0.256 1.00 54.32 C ATOM 868 NZ LYS A 55 -12.657 7.601 0.393 1.00 1.31 N ATOM 0 H LYS A 55 -10.060 2.705 -0.440 1.00 62.10 H new ATOM 0 HA LYS A 55 -12.230 1.029 0.091 1.00 33.03 H new ATOM 0 HB2 LYS A 55 -13.591 3.042 -0.213 1.00 15.24 H new ATOM 0 HB3 LYS A 55 -12.120 3.448 0.648 1.00 15.24 H new ATOM 0 HG2 LYS A 55 -11.118 4.329 -1.431 1.00 74.53 H new ATOM 0 HG3 LYS A 55 -12.550 3.873 -2.333 1.00 74.53 H new ATOM 0 HD2 LYS A 55 -12.663 6.250 -1.858 1.00 43.45 H new ATOM 0 HD3 LYS A 55 -13.915 5.439 -0.938 1.00 43.45 H new ATOM 0 HE2 LYS A 55 -12.660 5.610 1.113 1.00 54.32 H new ATOM 0 HE3 LYS A 55 -11.197 6.073 0.266 1.00 54.32 H new ATOM 0 HZ1 LYS A 55 -12.540 7.897 1.383 1.00 1.31 H new ATOM 0 HZ2 LYS A 55 -12.044 8.180 -0.216 1.00 1.31 H new ATOM 0 HZ3 LYS A 55 -13.649 7.730 0.108 1.00 1.31 H new ATOM 882 N ARG A 56 -11.836 1.722 -3.119 1.00 74.42 N ATOM 883 CA ARG A 56 -12.284 1.368 -4.472 1.00 1.51 C ATOM 884 C ARG A 56 -11.947 -0.094 -4.822 1.00 11.13 C ATOM 885 O ARG A 56 -12.598 -0.706 -5.669 1.00 41.12 O ATOM 886 CB ARG A 56 -11.666 2.313 -5.513 1.00 73.42 C ATOM 887 CG ARG A 56 -12.169 2.063 -6.932 1.00 3.42 C ATOM 888 CD ARG A 56 -11.544 3.010 -7.947 1.00 64.23 C ATOM 889 NE ARG A 56 -12.003 2.726 -9.306 1.00 12.05 N ATOM 890 CZ ARG A 56 -11.543 3.310 -10.378 1.00 63.33 C ATOM 891 NH1 ARG A 56 -10.640 4.233 -10.290 1.00 72.13 N ATOM 892 NH2 ARG A 56 -11.997 2.975 -11.540 1.00 74.21 N ATOM 0 H ARG A 56 -11.013 2.324 -3.092 1.00 74.42 H new ATOM 0 HA ARG A 56 -13.368 1.476 -4.491 1.00 1.51 H new ATOM 0 HB2 ARG A 56 -11.886 3.343 -5.234 1.00 73.42 H new ATOM 0 HB3 ARG A 56 -10.582 2.202 -5.495 1.00 73.42 H new ATOM 0 HG2 ARG A 56 -11.949 1.034 -7.216 1.00 3.42 H new ATOM 0 HG3 ARG A 56 -13.253 2.175 -6.955 1.00 3.42 H new ATOM 0 HD2 ARG A 56 -11.793 4.039 -7.686 1.00 64.23 H new ATOM 0 HD3 ARG A 56 -10.458 2.924 -7.904 1.00 64.23 H new ATOM 0 HE ARG A 56 -12.733 2.023 -9.424 1.00 12.05 H new ATOM 0 HH11 ARG A 56 -10.281 4.510 -9.376 1.00 72.13 H new ATOM 0 HH12 ARG A 56 -10.287 4.683 -11.134 1.00 72.13 H new ATOM 0 HH21 ARG A 56 -12.715 2.254 -11.619 1.00 74.21 H new ATOM 0 HH22 ARG A 56 -11.638 3.431 -12.379 1.00 74.21 H new ATOM 906 N TYR A 57 -10.912 -0.641 -4.189 1.00 22.12 N ATOM 907 CA TYR A 57 -10.562 -2.052 -4.373 1.00 20.53 C ATOM 908 C TYR A 57 -11.568 -2.968 -3.654 1.00 74.31 C ATOM 909 O TYR A 57 -12.113 -3.896 -4.249 1.00 34.24 O ATOM 910 CB TYR A 57 -9.139 -2.328 -3.859 1.00 25.43 C ATOM 911 CG TYR A 57 -8.721 -3.786 -3.985 1.00 63.34 C ATOM 912 CD1 TYR A 57 -8.227 -4.290 -5.188 1.00 53.32 C ATOM 913 CD2 TYR A 57 -8.832 -4.662 -2.909 1.00 43.22 C ATOM 914 CE1 TYR A 57 -7.861 -5.619 -5.308 1.00 61.10 C ATOM 915 CE2 TYR A 57 -8.463 -5.989 -3.024 1.00 13.30 C ATOM 916 CZ TYR A 57 -7.980 -6.463 -4.224 1.00 55.22 C ATOM 917 OH TYR A 57 -7.623 -7.789 -4.341 1.00 61.31 O ATOM 0 H TYR A 57 -10.302 -0.134 -3.547 1.00 22.12 H new ATOM 0 HA TYR A 57 -10.600 -2.269 -5.441 1.00 20.53 H new ATOM 0 HB2 TYR A 57 -8.434 -1.707 -4.412 1.00 25.43 H new ATOM 0 HB3 TYR A 57 -9.074 -2.029 -2.813 1.00 25.43 H new ATOM 0 HD1 TYR A 57 -8.129 -3.633 -6.039 1.00 53.32 H new ATOM 0 HD2 TYR A 57 -9.214 -4.298 -1.967 1.00 43.22 H new ATOM 0 HE1 TYR A 57 -7.483 -5.994 -6.248 1.00 61.10 H new ATOM 0 HE2 TYR A 57 -8.553 -6.652 -2.176 1.00 13.30 H new ATOM 0 HH TYR A 57 -7.767 -8.243 -3.485 1.00 61.31 H new ATOM 927 N GLU A 58 -11.808 -2.689 -2.374 1.00 53.22 N ATOM 928 CA GLU A 58 -12.681 -3.525 -1.536 1.00 52.54 C ATOM 929 C GLU A 58 -14.168 -3.352 -1.896 1.00 35.11 C ATOM 930 O GLU A 58 -14.953 -4.302 -1.821 1.00 42.42 O ATOM 931 CB GLU A 58 -12.449 -3.184 -0.058 1.00 14.41 C ATOM 932 CG GLU A 58 -10.987 -3.310 0.364 1.00 51.44 C ATOM 933 CD GLU A 58 -10.733 -2.829 1.783 1.00 53.05 C ATOM 934 OE1 GLU A 58 -10.946 -1.626 2.054 1.00 10.10 O ATOM 935 OE2 GLU A 58 -10.292 -3.636 2.630 1.00 64.10 O ATOM 0 H GLU A 58 -11.409 -1.886 -1.887 1.00 53.22 H new ATOM 0 HA GLU A 58 -12.426 -4.568 -1.720 1.00 52.54 H new ATOM 0 HB2 GLU A 58 -12.789 -2.166 0.131 1.00 14.41 H new ATOM 0 HB3 GLU A 58 -13.058 -3.844 0.561 1.00 14.41 H new ATOM 0 HG2 GLU A 58 -10.679 -4.352 0.279 1.00 51.44 H new ATOM 0 HG3 GLU A 58 -10.366 -2.737 -0.324 1.00 51.44 H new ATOM 942 N ASP A 59 -14.545 -2.135 -2.283 1.00 42.42 N ATOM 943 CA ASP A 59 -15.926 -1.826 -2.673 1.00 51.13 C ATOM 944 C ASP A 59 -16.085 -1.792 -4.213 1.00 25.32 C ATOM 945 O ASP A 59 -15.101 -1.907 -4.948 1.00 23.20 O ATOM 946 CB ASP A 59 -16.338 -0.479 -2.056 1.00 40.23 C ATOM 947 CG ASP A 59 -16.489 -0.561 -0.547 1.00 34.34 C ATOM 948 OD1 ASP A 59 -17.601 -0.880 -0.078 1.00 41.04 O ATOM 949 OD2 ASP A 59 -15.505 -0.302 0.181 1.00 11.20 O ATOM 0 H ASP A 59 -13.910 -1.338 -2.336 1.00 42.42 H new ATOM 0 HA ASP A 59 -16.579 -2.614 -2.298 1.00 51.13 H new ATOM 0 HB2 ASP A 59 -15.592 0.276 -2.304 1.00 40.23 H new ATOM 0 HB3 ASP A 59 -17.280 -0.153 -2.496 1.00 40.23 H new ATOM 954 N PRO A 60 -17.336 -1.685 -4.728 1.00 45.12 N ATOM 955 CA PRO A 60 -17.591 -1.528 -6.178 1.00 10.14 C ATOM 956 C PRO A 60 -16.956 -0.254 -6.783 1.00 54.11 C ATOM 957 O PRO A 60 -16.200 0.455 -6.116 1.00 51.11 O ATOM 958 CB PRO A 60 -19.126 -1.458 -6.267 1.00 73.21 C ATOM 959 CG PRO A 60 -19.614 -2.100 -5.013 1.00 64.10 C ATOM 960 CD PRO A 60 -18.595 -1.755 -3.963 1.00 71.50 C ATOM 0 HA PRO A 60 -17.147 -2.345 -6.746 1.00 10.14 H new ATOM 0 HB2 PRO A 60 -19.470 -0.427 -6.342 1.00 73.21 H new ATOM 0 HB3 PRO A 60 -19.495 -1.983 -7.148 1.00 73.21 H new ATOM 0 HG2 PRO A 60 -20.601 -1.727 -4.740 1.00 64.10 H new ATOM 0 HG3 PRO A 60 -19.703 -3.180 -5.134 1.00 64.10 H new ATOM 0 HD2 PRO A 60 -18.824 -0.807 -3.476 1.00 71.50 H new ATOM 0 HD3 PRO A 60 -18.550 -2.513 -3.181 1.00 71.50 H new ATOM 968 N ASP A 61 -17.305 0.029 -8.050 1.00 22.33 N ATOM 969 CA ASP A 61 -16.733 1.149 -8.828 1.00 24.15 C ATOM 970 C ASP A 61 -15.327 0.799 -9.352 1.00 50.53 C ATOM 971 O ASP A 61 -14.541 1.672 -9.733 1.00 73.42 O ATOM 972 CB ASP A 61 -16.720 2.453 -8.011 1.00 10.30 C ATOM 973 CG ASP A 61 -16.451 3.680 -8.867 1.00 1.14 C ATOM 974 OD1 ASP A 61 -17.272 3.974 -9.762 1.00 31.44 O ATOM 975 OD2 ASP A 61 -15.420 4.353 -8.664 1.00 31.13 O ATOM 0 H ASP A 61 -17.995 -0.514 -8.569 1.00 22.33 H new ATOM 0 HA ASP A 61 -17.377 1.314 -9.692 1.00 24.15 H new ATOM 0 HB2 ASP A 61 -17.679 2.570 -7.507 1.00 10.30 H new ATOM 0 HB3 ASP A 61 -15.958 2.383 -7.235 1.00 10.30 H new ATOM 980 N LYS A 62 -15.031 -0.496 -9.394 1.00 44.23 N ATOM 981 CA LYS A 62 -13.772 -0.997 -9.949 1.00 34.24 C ATOM 982 C LYS A 62 -14.009 -2.279 -10.764 1.00 34.35 C ATOM 983 O LYS A 62 -14.876 -3.088 -10.427 1.00 21.44 O ATOM 984 CB LYS A 62 -12.755 -1.264 -8.827 1.00 65.41 C ATOM 985 CG LYS A 62 -11.414 -1.792 -9.329 1.00 60.30 C ATOM 986 CD LYS A 62 -10.407 -1.978 -8.197 1.00 55.32 C ATOM 987 CE LYS A 62 -9.088 -2.552 -8.706 1.00 31.41 C ATOM 988 NZ LYS A 62 -8.479 -1.703 -9.765 1.00 51.23 N ATOM 0 H LYS A 62 -15.652 -1.227 -9.047 1.00 44.23 H new ATOM 0 HA LYS A 62 -13.367 -0.233 -10.613 1.00 34.24 H new ATOM 0 HB2 LYS A 62 -12.588 -0.340 -8.273 1.00 65.41 H new ATOM 0 HB3 LYS A 62 -13.180 -1.983 -8.127 1.00 65.41 H new ATOM 0 HG2 LYS A 62 -11.567 -2.744 -9.837 1.00 60.30 H new ATOM 0 HG3 LYS A 62 -11.006 -1.100 -10.066 1.00 60.30 H new ATOM 0 HD2 LYS A 62 -10.224 -1.020 -7.711 1.00 55.32 H new ATOM 0 HD3 LYS A 62 -10.826 -2.643 -7.442 1.00 55.32 H new ATOM 0 HE2 LYS A 62 -8.390 -2.649 -7.874 1.00 31.41 H new ATOM 0 HE3 LYS A 62 -9.257 -3.555 -9.099 1.00 31.41 H new ATOM 0 HZ1 LYS A 62 -7.501 -2.011 -9.937 1.00 51.23 H new ATOM 0 HZ2 LYS A 62 -9.030 -1.793 -10.642 1.00 51.23 H new ATOM 0 HZ3 LYS A 62 -8.479 -0.710 -9.457 1.00 51.23 H new ATOM 1002 N GLU A 63 -13.237 -2.455 -11.836 1.00 21.15 N ATOM 1003 CA GLU A 63 -13.342 -3.647 -12.690 1.00 74.35 C ATOM 1004 C GLU A 63 -12.807 -4.909 -11.992 1.00 61.03 C ATOM 1005 O GLU A 63 -12.011 -4.833 -11.048 1.00 22.31 O ATOM 1006 CB GLU A 63 -12.586 -3.416 -14.008 1.00 54.31 C ATOM 1007 CG GLU A 63 -13.206 -2.334 -14.893 1.00 34.15 C ATOM 1008 CD GLU A 63 -14.564 -2.738 -15.452 1.00 51.32 C ATOM 1009 OE1 GLU A 63 -14.602 -3.376 -16.529 1.00 44.23 O ATOM 1010 OE2 GLU A 63 -15.597 -2.428 -14.822 1.00 11.51 O ATOM 0 H GLU A 63 -12.528 -1.787 -12.138 1.00 21.15 H new ATOM 0 HA GLU A 63 -14.400 -3.810 -12.896 1.00 74.35 H new ATOM 0 HB2 GLU A 63 -11.556 -3.141 -13.782 1.00 54.31 H new ATOM 0 HB3 GLU A 63 -12.551 -4.352 -14.565 1.00 54.31 H new ATOM 0 HG2 GLU A 63 -13.314 -1.416 -14.315 1.00 34.15 H new ATOM 0 HG3 GLU A 63 -12.529 -2.114 -15.718 1.00 34.15 H new ATOM 1017 N LEU A 64 -13.253 -6.071 -12.466 1.00 51.41 N ATOM 1018 CA LEU A 64 -12.807 -7.358 -11.920 1.00 11.23 C ATOM 1019 C LEU A 64 -11.339 -7.640 -12.285 1.00 45.34 C ATOM 1020 O LEU A 64 -10.947 -7.562 -13.455 1.00 44.30 O ATOM 1021 CB LEU A 64 -13.706 -8.503 -12.428 1.00 24.31 C ATOM 1022 CG LEU A 64 -15.158 -8.511 -11.901 1.00 44.44 C ATOM 1023 CD1 LEU A 64 -15.182 -8.498 -10.373 1.00 50.12 C ATOM 1024 CD2 LEU A 64 -15.966 -7.342 -12.470 1.00 32.31 C ATOM 0 H LEU A 64 -13.925 -6.151 -13.229 1.00 51.41 H new ATOM 0 HA LEU A 64 -12.885 -7.302 -10.834 1.00 11.23 H new ATOM 0 HB2 LEU A 64 -13.736 -8.458 -13.517 1.00 24.31 H new ATOM 0 HB3 LEU A 64 -13.239 -9.451 -12.161 1.00 24.31 H new ATOM 0 HG LEU A 64 -15.628 -9.433 -12.242 1.00 44.44 H new ATOM 0 HD11 LEU A 64 -16.215 -8.504 -10.025 1.00 50.12 H new ATOM 0 HD12 LEU A 64 -14.666 -9.380 -9.993 1.00 50.12 H new ATOM 0 HD13 LEU A 64 -14.682 -7.601 -10.009 1.00 50.12 H new ATOM 0 HD21 LEU A 64 -16.983 -7.378 -12.079 1.00 32.31 H new ATOM 0 HD22 LEU A 64 -15.498 -6.401 -12.180 1.00 32.31 H new ATOM 0 HD23 LEU A 64 -15.993 -7.413 -13.557 1.00 32.31 H new ATOM 1036 N GLU A 65 -10.533 -7.977 -11.282 1.00 21.21 N ATOM 1037 CA GLU A 65 -9.099 -8.223 -11.484 1.00 41.34 C ATOM 1038 C GLU A 65 -8.834 -9.641 -12.019 1.00 41.42 C ATOM 1039 O GLU A 65 -7.871 -9.872 -12.752 1.00 63.45 O ATOM 1040 CB GLU A 65 -8.314 -7.998 -10.174 1.00 33.43 C ATOM 1041 CG GLU A 65 -8.586 -9.023 -9.066 1.00 0.34 C ATOM 1042 CD GLU A 65 -10.010 -8.980 -8.531 1.00 4.44 C ATOM 1043 OE1 GLU A 65 -10.292 -8.154 -7.642 1.00 21.34 O ATOM 1044 OE2 GLU A 65 -10.857 -9.765 -9.009 1.00 65.01 O ATOM 0 H GLU A 65 -10.845 -8.087 -10.317 1.00 21.21 H new ATOM 0 HA GLU A 65 -8.753 -7.510 -12.232 1.00 41.34 H new ATOM 0 HB2 GLU A 65 -7.248 -8.007 -10.402 1.00 33.43 H new ATOM 0 HB3 GLU A 65 -8.550 -7.004 -9.794 1.00 33.43 H new ATOM 0 HG2 GLU A 65 -8.381 -10.023 -9.449 1.00 0.34 H new ATOM 0 HG3 GLU A 65 -7.892 -8.849 -8.243 1.00 0.34 H new ATOM 1051 N HIS A 66 -9.698 -10.584 -11.654 1.00 53.04 N ATOM 1052 CA HIS A 66 -9.539 -11.985 -12.058 1.00 14.05 C ATOM 1053 C HIS A 66 -10.544 -12.354 -13.175 1.00 72.11 C ATOM 1054 O HIS A 66 -11.473 -13.132 -12.960 1.00 43.13 O ATOM 1055 CB HIS A 66 -9.730 -12.890 -10.827 1.00 52.12 C ATOM 1056 CG HIS A 66 -9.269 -14.305 -11.018 1.00 13.42 C ATOM 1057 ND1 HIS A 66 -10.128 -15.357 -11.247 1.00 51.24 N ATOM 1058 CD2 HIS A 66 -8.025 -14.843 -10.990 1.00 41.41 C ATOM 1059 CE1 HIS A 66 -9.437 -16.474 -11.352 1.00 12.12 C ATOM 1060 NE2 HIS A 66 -8.162 -16.190 -11.201 1.00 61.33 N ATOM 0 H HIS A 66 -10.520 -10.406 -11.077 1.00 53.04 H new ATOM 0 HA HIS A 66 -8.536 -12.132 -12.459 1.00 14.05 H new ATOM 0 HB2 HIS A 66 -9.190 -12.456 -9.985 1.00 52.12 H new ATOM 0 HB3 HIS A 66 -10.786 -12.898 -10.558 1.00 52.12 H new ATOM 0 HD2 HIS A 66 -7.099 -14.310 -10.831 1.00 41.41 H new ATOM 0 HE1 HIS A 66 -9.848 -17.456 -11.532 1.00 12.12 H new ATOM 0 HE2 HIS A 66 -7.397 -16.864 -11.235 1.00 61.33 H new ATOM 1069 N HIS A 67 -10.336 -11.798 -14.374 1.00 1.51 N ATOM 1070 CA HIS A 67 -11.285 -11.960 -15.494 1.00 25.14 C ATOM 1071 C HIS A 67 -10.991 -13.227 -16.330 1.00 45.44 C ATOM 1072 O HIS A 67 -11.544 -13.416 -17.414 1.00 21.14 O ATOM 1073 CB HIS A 67 -11.250 -10.707 -16.386 1.00 64.34 C ATOM 1074 CG HIS A 67 -12.333 -10.658 -17.426 1.00 63.32 C ATOM 1075 ND1 HIS A 67 -12.086 -10.558 -18.780 1.00 42.34 N ATOM 1076 CD2 HIS A 67 -13.683 -10.681 -17.299 1.00 75.35 C ATOM 1077 CE1 HIS A 67 -13.228 -10.523 -19.433 1.00 5.25 C ATOM 1078 NE2 HIS A 67 -14.211 -10.597 -18.562 1.00 64.10 N ATOM 0 H HIS A 67 -9.519 -11.230 -14.599 1.00 1.51 H new ATOM 0 HA HIS A 67 -12.282 -12.082 -15.072 1.00 25.14 H new ATOM 0 HB2 HIS A 67 -11.329 -9.823 -15.754 1.00 64.34 H new ATOM 0 HB3 HIS A 67 -10.282 -10.657 -16.884 1.00 64.34 H new ATOM 0 HD2 HIS A 67 -14.239 -10.752 -16.376 1.00 75.35 H new ATOM 0 HE1 HIS A 67 -13.339 -10.446 -20.504 1.00 5.25 H new ATOM 0 HE2 HIS A 67 -15.205 -10.593 -18.789 1.00 64.10 H new ATOM 1087 N HIS A 68 -10.116 -14.087 -15.821 1.00 73.43 N ATOM 1088 CA HIS A 68 -9.828 -15.384 -16.450 1.00 74.13 C ATOM 1089 C HIS A 68 -9.706 -16.486 -15.392 1.00 15.15 C ATOM 1090 O HIS A 68 -9.065 -16.293 -14.357 1.00 23.33 O ATOM 1091 CB HIS A 68 -8.539 -15.312 -17.281 1.00 20.35 C ATOM 1092 CG HIS A 68 -8.707 -14.614 -18.596 1.00 32.22 C ATOM 1093 ND1 HIS A 68 -8.093 -13.424 -18.911 1.00 63.14 N ATOM 1094 CD2 HIS A 68 -9.415 -14.967 -19.694 1.00 10.02 C ATOM 1095 CE1 HIS A 68 -8.417 -13.074 -20.139 1.00 43.42 C ATOM 1096 NE2 HIS A 68 -9.217 -13.992 -20.637 1.00 45.13 N ATOM 0 H HIS A 68 -9.586 -13.913 -14.967 1.00 73.43 H new ATOM 0 HA HIS A 68 -10.659 -15.625 -17.113 1.00 74.13 H new ATOM 0 HB2 HIS A 68 -7.772 -14.797 -16.702 1.00 20.35 H new ATOM 0 HB3 HIS A 68 -8.176 -16.324 -17.461 1.00 20.35 H new ATOM 0 HD2 HIS A 68 -10.023 -15.852 -19.806 1.00 10.02 H new ATOM 0 HE1 HIS A 68 -8.082 -12.184 -20.651 1.00 43.42 H new ATOM 0 HE2 HIS A 68 -9.624 -13.980 -21.572 1.00 45.13 H new ATOM 1105 N HIS A 69 -10.322 -17.639 -15.645 1.00 54.13 N ATOM 1106 CA HIS A 69 -10.314 -18.740 -14.677 1.00 71.52 C ATOM 1107 C HIS A 69 -10.369 -20.125 -15.341 1.00 10.43 C ATOM 1108 O HIS A 69 -11.442 -20.621 -15.686 1.00 64.04 O ATOM 1109 CB HIS A 69 -11.474 -18.576 -13.681 1.00 1.41 C ATOM 1110 CG HIS A 69 -12.776 -18.170 -14.311 1.00 11.14 C ATOM 1111 ND1 HIS A 69 -13.566 -19.027 -15.049 1.00 64.14 N ATOM 1112 CD2 HIS A 69 -13.434 -16.986 -14.295 1.00 4.01 C ATOM 1113 CE1 HIS A 69 -14.646 -18.389 -15.453 1.00 11.43 C ATOM 1114 NE2 HIS A 69 -14.594 -17.151 -15.007 1.00 34.42 N ATOM 0 H HIS A 69 -10.831 -17.837 -16.506 1.00 54.13 H new ATOM 0 HA HIS A 69 -9.364 -18.688 -14.146 1.00 71.52 H new ATOM 0 HB2 HIS A 69 -11.618 -19.517 -13.151 1.00 1.41 H new ATOM 0 HB3 HIS A 69 -11.196 -17.830 -12.936 1.00 1.41 H new ATOM 0 HD1 HIS A 69 -13.348 -20.003 -15.251 1.00 64.14 H new ATOM 0 HD2 HIS A 69 -13.105 -16.079 -13.810 1.00 4.01 H new ATOM 0 HE1 HIS A 69 -15.441 -18.811 -16.050 1.00 11.43 H new ATOM 1123 N HIS A 70 -9.197 -20.732 -15.533 1.00 53.51 N ATOM 1124 CA HIS A 70 -9.101 -22.135 -15.963 1.00 45.43 C ATOM 1125 C HIS A 70 -8.863 -23.052 -14.751 1.00 20.05 C ATOM 1126 O HIS A 70 -8.751 -22.581 -13.619 1.00 42.31 O ATOM 1127 CB HIS A 70 -7.961 -22.314 -16.984 1.00 1.12 C ATOM 1128 CG HIS A 70 -6.588 -22.066 -16.420 1.00 33.02 C ATOM 1129 ND1 HIS A 70 -5.911 -22.984 -15.639 1.00 11.24 N ATOM 1130 CD2 HIS A 70 -5.758 -20.998 -16.530 1.00 13.15 C ATOM 1131 CE1 HIS A 70 -4.740 -22.489 -15.292 1.00 34.40 C ATOM 1132 NE2 HIS A 70 -4.623 -21.292 -15.819 1.00 60.33 N ATOM 0 H HIS A 70 -8.295 -20.275 -15.398 1.00 53.51 H new ATOM 0 HA HIS A 70 -10.043 -22.410 -16.437 1.00 45.43 H new ATOM 0 HB2 HIS A 70 -8.001 -23.328 -17.383 1.00 1.12 H new ATOM 0 HB3 HIS A 70 -8.127 -21.635 -17.821 1.00 1.12 H new ATOM 0 HD1 HIS A 70 -6.264 -23.903 -15.372 1.00 11.24 H new ATOM 0 HD2 HIS A 70 -5.955 -20.087 -17.076 1.00 13.15 H new ATOM 0 HE1 HIS A 70 -4.002 -22.984 -14.678 1.00 34.40 H new ATOM 1141 N HIS A 71 -8.763 -24.356 -14.992 1.00 64.14 N ATOM 1142 CA HIS A 71 -8.469 -25.322 -13.918 1.00 41.03 C ATOM 1143 C HIS A 71 -7.197 -26.146 -14.225 1.00 75.23 C ATOM 1144 O HIS A 71 -7.300 -27.363 -14.496 1.00 38.40 O ATOM 1145 CB HIS A 71 -9.688 -26.232 -13.668 1.00 63.14 C ATOM 1146 CG HIS A 71 -10.243 -26.885 -14.903 1.00 23.45 C ATOM 1147 ND1 HIS A 71 -9.735 -28.052 -15.430 1.00 51.21 N ATOM 1148 CD2 HIS A 71 -11.278 -26.539 -15.705 1.00 11.33 C ATOM 1149 CE1 HIS A 71 -10.427 -28.394 -16.496 1.00 41.45 C ATOM 1150 NE2 HIS A 71 -11.368 -27.494 -16.687 1.00 4.35 N ATOM 1151 OXT HIS A 71 -6.090 -25.558 -14.203 1.00 38.40 O ATOM 0 H HIS A 71 -8.879 -24.775 -15.915 1.00 64.14 H new ATOM 0 HA HIS A 71 -8.269 -24.763 -13.004 1.00 41.03 H new ATOM 0 HB2 HIS A 71 -9.406 -27.009 -12.957 1.00 63.14 H new ATOM 0 HB3 HIS A 71 -10.476 -25.642 -13.199 1.00 63.14 H new ATOM 0 HD1 HIS A 71 -8.943 -28.572 -15.052 1.00 51.21 H new ATOM 0 HD2 HIS A 71 -11.914 -25.673 -15.593 1.00 11.33 H new ATOM 0 HE1 HIS A 71 -10.252 -29.265 -17.110 1.00 41.45 H new TER 1160 HIS A 71