USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 438 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: 5 24 ASN : amide:sc= -0.401 K(o=0.49,f=-16!) USER MOD Set 1.2: 5 31 GLN : amide:sc= 0.892 K(o=0.49,f=-16!) USER MOD Single : 5 1 ARG N :NH3+ -102:sc= -2! (180deg=-7.43!) USER MOD Single : 5 10 TYR OH : rot 180:sc= 0 USER MOD Single : 5 11 THR OG1 : rot -75:sc= 1.3 USER MOD Single : 5 15 LYS NZ :NH3+ -148:sc= -2.36! (180deg=-7.63!) USER MOD Single : 5 21 TYR OH : rot 180:sc= 0 USER MOD Single : 5 23 TYR OH : rot 15:sc= -0.512 USER MOD Single : 5 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 5 32 THR OG1 : rot 180:sc= 0.00344 USER MOD Single : 5 35 TYR OH : rot -153:sc= -0.461 USER MOD Single : 5 41 LYS NZ :NH3+ -122:sc= -0.622! (180deg=-6.81!) USER MOD Single : 5 43 ASN : amide:sc= 2.4 K(o=2.4,f=-8.9!) USER MOD Single : 5 44 ASN : amide:sc= 0.73 K(o=0.73,f=-8.2!) USER MOD Single : 5 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 5 47 SER OG : rot -111:sc= 2.38 USER MOD Single : 5 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 5 54 THR OG1 : rot 97:sc= -3.64! USER MOD ----------------------------------------------------------------- ATOM 1 N ARG 5 1 28.415 14.490 -11.291 1.00 28.28 N ATOM 2 CA ARG 5 1 29.027 13.247 -10.731 1.00 27.90 C ATOM 3 C ARG 5 1 30.535 13.194 -11.051 1.00 24.90 C ATOM 4 O ARG 5 1 30.995 12.255 -11.669 1.00 24.44 O ATOM 5 CB ARG 5 1 28.338 12.026 -11.357 1.00 27.88 C ATOM 6 CG ARG 5 1 28.409 12.131 -12.888 1.00 29.61 C ATOM 7 CD ARG 5 1 27.842 10.871 -13.545 1.00 31.91 C ATOM 8 NE ARG 5 1 26.837 11.283 -14.577 1.00 33.51 N ATOM 9 CZ ARG 5 1 25.887 12.126 -14.283 1.00 34.29 C ATOM 10 NH1 ARG 5 1 25.575 12.363 -13.052 1.00 35.44 N ATOM 11 NH2 ARG 5 1 25.197 12.677 -15.222 1.00 34.48 N ATOM 0 H1 ARG 5 1 28.281 15.185 -10.529 1.00 28.28 H new ATOM 0 H2 ARG 5 1 29.043 14.889 -12.017 1.00 28.28 H new ATOM 0 H3 ARG 5 1 27.494 14.262 -11.717 1.00 28.28 H new ATOM 0 HA ARG 5 1 28.897 13.245 -9.649 1.00 27.90 H new ATOM 0 HB2 ARG 5 1 28.822 11.109 -11.021 1.00 27.88 H new ATOM 0 HB3 ARG 5 1 27.299 11.975 -11.033 1.00 27.88 H new ATOM 0 HG2 ARG 5 1 27.850 13.005 -13.224 1.00 29.61 H new ATOM 0 HG3 ARG 5 1 29.443 12.275 -13.200 1.00 29.61 H new ATOM 0 HD2 ARG 5 1 28.642 10.292 -14.006 1.00 31.91 H new ATOM 0 HD3 ARG 5 1 27.375 10.231 -12.796 1.00 31.91 H new ATOM 0 HE ARG 5 1 26.897 10.900 -15.520 1.00 33.51 H new ATOM 0 HH11 ARG 5 1 26.074 11.889 -12.299 1.00 35.44 H new ATOM 0 HH12 ARG 5 1 24.830 13.024 -12.833 1.00 35.44 H new ATOM 0 HH21 ARG 5 1 25.394 12.454 -16.198 1.00 34.48 H new ATOM 0 HH22 ARG 5 1 24.454 13.336 -14.989 1.00 34.48 H new ATOM 27 N PRO 5 2 31.302 14.183 -10.643 1.00 22.41 N ATOM 28 CA PRO 5 2 32.781 14.201 -10.895 1.00 19.52 C ATOM 29 C PRO 5 2 33.503 12.990 -10.261 1.00 17.70 C ATOM 30 O PRO 5 2 32.928 11.929 -10.078 1.00 16.41 O ATOM 31 CB PRO 5 2 33.251 15.522 -10.265 1.00 21.00 C ATOM 32 CG PRO 5 2 32.019 16.361 -10.147 1.00 20.91 C ATOM 33 CD PRO 5 2 30.869 15.384 -9.910 1.00 22.49 C ATOM 0 HA PRO 5 2 33.010 14.132 -11.958 1.00 19.52 H new ATOM 0 HB2 PRO 5 2 33.707 15.353 -9.289 1.00 21.00 H new ATOM 0 HB3 PRO 5 2 34.001 16.010 -10.887 1.00 21.00 H new ATOM 0 HG2 PRO 5 2 32.106 17.069 -9.323 1.00 20.91 H new ATOM 0 HG3 PRO 5 2 31.855 16.945 -11.053 1.00 20.91 H new ATOM 0 HD2 PRO 5 2 30.725 15.180 -8.849 1.00 22.49 H new ATOM 0 HD3 PRO 5 2 29.924 15.772 -10.292 1.00 22.49 H new ATOM 41 N ASP 5 3 34.750 13.143 -9.882 1.00 16.15 N ATOM 42 CA ASP 5 3 35.496 11.987 -9.277 1.00 17.15 C ATOM 43 C ASP 5 3 34.826 11.536 -7.988 1.00 13.33 C ATOM 44 O ASP 5 3 34.528 10.367 -7.796 1.00 12.36 O ATOM 45 CB ASP 5 3 36.959 12.370 -8.971 1.00 24.92 C ATOM 46 CG ASP 5 3 37.037 13.729 -8.223 1.00 31.50 C ATOM 47 OD1 ASP 5 3 36.568 14.718 -8.769 1.00 35.43 O ATOM 48 OD2 ASP 5 3 37.588 13.749 -7.125 1.00 35.71 O ATOM 0 H ASP 5 3 35.282 14.010 -9.963 1.00 16.15 H new ATOM 0 HA ASP 5 3 35.483 11.174 -10.003 1.00 17.15 H new ATOM 0 HB2 ASP 5 3 37.423 11.591 -8.366 1.00 24.92 H new ATOM 0 HB3 ASP 5 3 37.524 12.430 -9.901 1.00 24.92 H new ATOM 53 N PHE 5 4 34.655 12.438 -7.069 1.00 12.38 N ATOM 54 CA PHE 5 4 34.079 12.087 -5.744 1.00 13.61 C ATOM 55 C PHE 5 4 32.629 11.602 -5.940 1.00 13.10 C ATOM 56 O PHE 5 4 31.694 12.046 -5.293 1.00 13.82 O ATOM 57 CB PHE 5 4 34.175 13.328 -4.831 1.00 12.65 C ATOM 58 CG PHE 5 4 33.612 14.547 -5.529 1.00 12.81 C ATOM 59 CD1 PHE 5 4 32.251 14.859 -5.397 1.00 12.38 C ATOM 60 CD2 PHE 5 4 34.442 15.361 -6.306 1.00 13.29 C ATOM 61 CE1 PHE 5 4 31.725 15.982 -6.043 1.00 14.62 C ATOM 62 CE2 PHE 5 4 33.917 16.489 -6.956 1.00 14.01 C ATOM 63 CZ PHE 5 4 32.555 16.798 -6.824 1.00 13.69 C ATOM 0 H PHE 5 4 34.894 13.423 -7.181 1.00 12.38 H new ATOM 0 HA PHE 5 4 34.628 11.276 -5.267 1.00 13.61 H new ATOM 0 HB2 PHE 5 4 33.629 13.148 -3.905 1.00 12.65 H new ATOM 0 HB3 PHE 5 4 35.215 13.506 -4.558 1.00 12.65 H new ATOM 0 HD1 PHE 5 4 31.609 14.232 -4.796 1.00 12.38 H new ATOM 0 HD2 PHE 5 4 35.490 15.121 -6.406 1.00 13.29 H new ATOM 0 HE1 PHE 5 4 30.677 16.221 -5.940 1.00 14.62 H new ATOM 0 HE2 PHE 5 4 34.559 17.117 -7.556 1.00 14.01 H new ATOM 0 HZ PHE 5 4 32.146 17.664 -7.324 1.00 13.69 H new ATOM 73 N CYS 5 5 32.459 10.695 -6.870 1.00 12.49 N ATOM 74 CA CYS 5 5 31.114 10.142 -7.196 1.00 10.18 C ATOM 75 C CYS 5 5 31.259 8.685 -7.655 1.00 10.29 C ATOM 76 O CYS 5 5 30.311 8.063 -8.111 1.00 10.73 O ATOM 77 CB CYS 5 5 30.514 10.960 -8.336 1.00 10.74 C ATOM 78 SG CYS 5 5 30.284 12.670 -7.797 1.00 12.66 S ATOM 0 H CYS 5 5 33.219 10.307 -7.429 1.00 12.49 H new ATOM 0 HA CYS 5 5 30.472 10.187 -6.316 1.00 10.18 H new ATOM 0 HB2 CYS 5 5 31.170 10.927 -9.206 1.00 10.74 H new ATOM 0 HB3 CYS 5 5 29.559 10.532 -8.641 1.00 10.74 H new ATOM 83 N LEU 5 6 32.456 8.153 -7.585 1.00 10.75 N ATOM 84 CA LEU 5 6 32.690 6.762 -8.064 1.00 12.75 C ATOM 85 C LEU 5 6 32.833 5.784 -6.893 1.00 13.85 C ATOM 86 O LEU 5 6 32.112 4.816 -6.825 1.00 15.33 O ATOM 87 CB LEU 5 6 33.953 6.744 -8.927 1.00 14.73 C ATOM 88 CG LEU 5 6 33.638 7.383 -10.284 1.00 16.78 C ATOM 89 CD1 LEU 5 6 34.556 8.581 -10.522 1.00 17.42 C ATOM 90 CD2 LEU 5 6 33.845 6.355 -11.394 1.00 16.88 C ATOM 0 H LEU 5 6 33.280 8.627 -7.215 1.00 10.75 H new ATOM 0 HA LEU 5 6 31.830 6.442 -8.653 1.00 12.75 H new ATOM 0 HB2 LEU 5 6 34.756 7.290 -8.431 1.00 14.73 H new ATOM 0 HB3 LEU 5 6 34.301 5.720 -9.064 1.00 14.73 H new ATOM 0 HG LEU 5 6 32.601 7.720 -10.287 1.00 16.78 H new ATOM 0 HD11 LEU 5 6 34.326 9.029 -11.488 1.00 17.42 H new ATOM 0 HD12 LEU 5 6 34.403 9.319 -9.734 1.00 17.42 H new ATOM 0 HD13 LEU 5 6 35.595 8.251 -10.514 1.00 17.42 H new ATOM 0 HD21 LEU 5 6 33.621 6.811 -12.358 1.00 16.88 H new ATOM 0 HD22 LEU 5 6 34.880 6.014 -11.386 1.00 16.88 H new ATOM 0 HD23 LEU 5 6 33.182 5.505 -11.231 1.00 16.88 H new ATOM 102 N GLU 5 7 33.739 6.023 -5.977 1.00 12.79 N ATOM 103 CA GLU 5 7 33.882 5.082 -4.816 1.00 15.64 C ATOM 104 C GLU 5 7 32.504 4.900 -4.148 1.00 12.90 C ATOM 105 O GLU 5 7 31.829 5.862 -3.825 1.00 12.97 O ATOM 106 CB GLU 5 7 34.915 5.617 -3.798 1.00 17.43 C ATOM 107 CG GLU 5 7 34.993 7.155 -3.834 1.00 19.72 C ATOM 108 CD GLU 5 7 34.959 7.703 -2.399 1.00 20.46 C ATOM 109 OE1 GLU 5 7 33.884 7.753 -1.833 1.00 18.99 O ATOM 110 OE2 GLU 5 7 35.995 8.109 -1.900 1.00 22.37 O ATOM 0 H GLU 5 7 34.379 6.817 -5.979 1.00 12.79 H new ATOM 0 HA GLU 5 7 34.243 4.118 -5.175 1.00 15.64 H new ATOM 0 HB2 GLU 5 7 34.644 5.288 -2.795 1.00 17.43 H new ATOM 0 HB3 GLU 5 7 35.896 5.196 -4.017 1.00 17.43 H new ATOM 0 HG2 GLU 5 7 35.908 7.472 -4.334 1.00 19.72 H new ATOM 0 HG3 GLU 5 7 34.160 7.559 -4.409 1.00 19.72 H new ATOM 117 N PRO 5 8 32.077 3.663 -3.963 1.00 13.23 N ATOM 118 CA PRO 5 8 30.724 3.346 -3.380 1.00 13.50 C ATOM 119 C PRO 5 8 30.631 3.593 -1.858 1.00 12.26 C ATOM 120 O PRO 5 8 31.632 3.735 -1.188 1.00 11.77 O ATOM 121 CB PRO 5 8 30.556 1.853 -3.692 1.00 15.10 C ATOM 122 CG PRO 5 8 31.943 1.304 -3.722 1.00 16.05 C ATOM 123 CD PRO 5 8 32.829 2.427 -4.278 1.00 15.37 C ATOM 0 HA PRO 5 8 29.949 3.987 -3.800 1.00 13.50 H new ATOM 0 HB2 PRO 5 8 29.952 1.357 -2.932 1.00 15.10 H new ATOM 0 HB3 PRO 5 8 30.052 1.704 -4.647 1.00 15.10 H new ATOM 0 HG2 PRO 5 8 32.268 1.008 -2.724 1.00 16.05 H new ATOM 0 HG3 PRO 5 8 31.998 0.416 -4.351 1.00 16.05 H new ATOM 0 HD2 PRO 5 8 33.813 2.428 -3.810 1.00 15.37 H new ATOM 0 HD3 PRO 5 8 32.986 2.318 -5.351 1.00 15.37 H new ATOM 131 N PRO 5 9 29.429 3.599 -1.314 1.00 11.39 N ATOM 132 CA PRO 5 9 29.181 3.832 0.145 1.00 11.12 C ATOM 133 C PRO 5 9 30.145 3.002 1.044 1.00 10.17 C ATOM 134 O PRO 5 9 30.302 1.824 0.849 1.00 12.88 O ATOM 135 CB PRO 5 9 27.729 3.373 0.366 1.00 11.43 C ATOM 136 CG PRO 5 9 27.129 3.095 -0.982 1.00 12.21 C ATOM 137 CD PRO 5 9 28.182 3.377 -2.054 1.00 11.84 C ATOM 0 HA PRO 5 9 29.349 4.875 0.413 1.00 11.12 H new ATOM 0 HB2 PRO 5 9 27.701 2.479 0.989 1.00 11.43 H new ATOM 0 HB3 PRO 5 9 27.159 4.143 0.887 1.00 11.43 H new ATOM 0 HG2 PRO 5 9 26.797 2.058 -1.042 1.00 12.21 H new ATOM 0 HG3 PRO 5 9 26.251 3.721 -1.141 1.00 12.21 H new ATOM 0 HD2 PRO 5 9 28.277 2.539 -2.744 1.00 11.84 H new ATOM 0 HD3 PRO 5 9 27.915 4.251 -2.649 1.00 11.84 H new ATOM 145 N TYR 5 10 30.767 3.601 2.019 1.00 9.53 N ATOM 146 CA TYR 5 10 31.724 2.878 2.905 1.00 10.73 C ATOM 147 C TYR 5 10 31.408 3.269 4.360 1.00 9.35 C ATOM 148 O TYR 5 10 31.673 4.370 4.778 1.00 9.61 O ATOM 149 CB TYR 5 10 33.131 3.339 2.461 1.00 12.55 C ATOM 150 CG TYR 5 10 34.242 2.525 3.091 1.00 14.36 C ATOM 151 CD1 TYR 5 10 34.666 2.797 4.394 1.00 14.93 C ATOM 152 CD2 TYR 5 10 34.892 1.539 2.338 1.00 16.08 C ATOM 153 CE1 TYR 5 10 35.734 2.081 4.948 1.00 15.90 C ATOM 154 CE2 TYR 5 10 35.966 0.832 2.887 1.00 16.73 C ATOM 155 CZ TYR 5 10 36.384 1.103 4.194 1.00 17.33 C ATOM 156 OH TYR 5 10 37.448 0.413 4.734 1.00 19.17 O ATOM 0 H TYR 5 10 30.649 4.589 2.246 1.00 9.53 H new ATOM 0 HA TYR 5 10 31.658 1.792 2.838 1.00 10.73 H new ATOM 0 HB2 TYR 5 10 33.206 3.268 1.376 1.00 12.55 H new ATOM 0 HB3 TYR 5 10 33.263 4.389 2.722 1.00 12.55 H new ATOM 0 HD1 TYR 5 10 34.169 3.560 4.975 1.00 14.93 H new ATOM 0 HD2 TYR 5 10 34.563 1.325 1.332 1.00 16.08 H new ATOM 0 HE1 TYR 5 10 36.055 2.286 5.959 1.00 15.90 H new ATOM 0 HE2 TYR 5 10 36.472 0.078 2.303 1.00 16.73 H new ATOM 0 HH TYR 5 10 37.786 -0.232 4.078 1.00 19.17 H new ATOM 166 N THR 5 11 30.844 2.362 5.105 1.00 10.38 N ATOM 167 CA THR 5 11 30.451 2.616 6.522 1.00 12.46 C ATOM 168 C THR 5 11 31.676 2.462 7.422 1.00 11.29 C ATOM 169 O THR 5 11 31.784 3.090 8.459 1.00 11.82 O ATOM 170 CB THR 5 11 29.378 1.588 6.920 1.00 13.67 C ATOM 171 OG1 THR 5 11 28.185 1.821 6.173 1.00 15.23 O ATOM 172 CG2 THR 5 11 29.064 1.723 8.403 1.00 14.27 C ATOM 0 H THR 5 11 30.631 1.419 4.779 1.00 10.38 H new ATOM 0 HA THR 5 11 30.056 3.626 6.631 1.00 12.46 H new ATOM 0 HB THR 5 11 29.754 0.586 6.711 1.00 13.67 H new ATOM 0 HG1 THR 5 11 27.721 2.605 6.534 1.00 15.23 H new ATOM 0 HG21 THR 5 11 28.304 0.993 8.682 1.00 14.27 H new ATOM 0 HG22 THR 5 11 29.969 1.544 8.984 1.00 14.27 H new ATOM 0 HG23 THR 5 11 28.695 2.728 8.607 1.00 14.27 H new ATOM 180 N GLY 5 12 32.584 1.604 7.040 1.00 12.43 N ATOM 181 CA GLY 5 12 33.811 1.384 7.871 1.00 13.15 C ATOM 182 C GLY 5 12 33.516 0.449 9.058 1.00 12.80 C ATOM 183 O GLY 5 12 32.396 -0.003 9.260 1.00 12.30 O ATOM 0 H GLY 5 12 32.532 1.044 6.189 1.00 12.43 H new ATOM 0 HA2 GLY 5 12 34.600 0.955 7.253 1.00 13.15 H new ATOM 0 HA3 GLY 5 12 34.180 2.341 8.241 1.00 13.15 H new ATOM 187 N PRO 5 13 34.530 0.172 9.845 1.00 14.49 N ATOM 188 CA PRO 5 13 34.423 -0.727 11.037 1.00 13.95 C ATOM 189 C PRO 5 13 33.474 -0.196 12.119 1.00 13.29 C ATOM 190 O PRO 5 13 32.663 -0.933 12.655 1.00 14.10 O ATOM 191 CB PRO 5 13 35.857 -0.821 11.579 1.00 13.23 C ATOM 192 CG PRO 5 13 36.612 0.320 10.973 1.00 14.60 C ATOM 193 CD PRO 5 13 35.887 0.712 9.684 1.00 13.98 C ATOM 0 HA PRO 5 13 34.002 -1.691 10.752 1.00 13.95 H new ATOM 0 HB2 PRO 5 13 35.866 -0.759 12.667 1.00 13.23 H new ATOM 0 HB3 PRO 5 13 36.312 -1.774 11.311 1.00 13.23 H new ATOM 0 HG2 PRO 5 13 36.653 1.163 11.663 1.00 14.60 H new ATOM 0 HG3 PRO 5 13 37.642 0.031 10.762 1.00 14.60 H new ATOM 0 HD2 PRO 5 13 35.870 1.794 9.552 1.00 13.98 H new ATOM 0 HD3 PRO 5 13 36.380 0.291 8.808 1.00 13.98 H new ATOM 201 N CYS 5 14 33.555 1.066 12.443 1.00 12.13 N ATOM 202 CA CYS 5 14 32.651 1.627 13.499 1.00 13.10 C ATOM 203 C CYS 5 14 31.184 1.513 13.061 1.00 14.28 C ATOM 204 O CYS 5 14 30.880 1.341 11.888 1.00 14.31 O ATOM 205 CB CYS 5 14 32.991 3.102 13.738 1.00 11.97 C ATOM 206 SG CYS 5 14 34.753 3.268 14.115 1.00 12.63 S ATOM 0 H CYS 5 14 34.204 1.734 12.027 1.00 12.13 H new ATOM 0 HA CYS 5 14 32.795 1.060 14.419 1.00 13.10 H new ATOM 0 HB2 CYS 5 14 32.741 3.691 12.855 1.00 11.97 H new ATOM 0 HB3 CYS 5 14 32.394 3.494 14.562 1.00 11.97 H new ATOM 211 N LYS 5 15 30.270 1.609 13.993 1.00 15.59 N ATOM 212 CA LYS 5 15 28.837 1.499 13.638 1.00 16.40 C ATOM 213 C LYS 5 15 28.057 2.558 14.410 1.00 14.53 C ATOM 214 O LYS 5 15 26.958 2.339 14.881 1.00 16.12 O ATOM 215 CB LYS 5 15 28.317 0.097 13.990 1.00 20.41 C ATOM 216 CG LYS 5 15 29.093 -0.965 13.198 1.00 23.07 C ATOM 217 CD LYS 5 15 28.692 -0.903 11.718 1.00 26.62 C ATOM 218 CE LYS 5 15 29.789 -1.536 10.858 1.00 30.12 C ATOM 219 NZ LYS 5 15 31.062 -0.782 11.060 1.00 33.66 N ATOM 0 H LYS 5 15 30.462 1.759 14.983 1.00 15.59 H new ATOM 0 HA LYS 5 15 28.707 1.657 12.567 1.00 16.40 H new ATOM 0 HB2 LYS 5 15 28.427 -0.083 15.059 1.00 20.41 H new ATOM 0 HB3 LYS 5 15 27.253 0.027 13.763 1.00 20.41 H new ATOM 0 HG2 LYS 5 15 30.165 -0.798 13.301 1.00 23.07 H new ATOM 0 HG3 LYS 5 15 28.885 -1.957 13.600 1.00 23.07 H new ATOM 0 HD2 LYS 5 15 27.749 -1.427 11.565 1.00 26.62 H new ATOM 0 HD3 LYS 5 15 28.533 0.133 11.418 1.00 26.62 H new ATOM 0 HE2 LYS 5 15 29.924 -2.583 11.131 1.00 30.12 H new ATOM 0 HE3 LYS 5 15 29.502 -1.515 9.807 1.00 30.12 H new ATOM 0 HZ1 LYS 5 15 31.618 -0.799 10.182 1.00 33.66 H new ATOM 0 HZ2 LYS 5 15 30.846 0.203 11.314 1.00 33.66 H new ATOM 0 HZ3 LYS 5 15 31.610 -1.224 11.825 1.00 33.66 H new ATOM 233 N ALA 5 16 28.643 3.703 14.590 1.00 12.01 N ATOM 234 CA ALA 5 16 27.934 4.767 15.327 1.00 12.90 C ATOM 235 C ALA 5 16 26.680 5.120 14.558 1.00 12.51 C ATOM 236 O ALA 5 16 26.720 5.400 13.397 1.00 13.19 O ATOM 237 CB ALA 5 16 28.829 6.006 15.475 1.00 11.07 C ATOM 0 H ALA 5 16 29.577 3.944 14.259 1.00 12.01 H new ATOM 0 HA ALA 5 16 27.677 4.417 16.327 1.00 12.90 H new ATOM 0 HB1 ALA 5 16 28.290 6.781 16.021 1.00 11.07 H new ATOM 0 HB2 ALA 5 16 29.733 5.739 16.022 1.00 11.07 H new ATOM 0 HB3 ALA 5 16 29.100 6.379 14.487 1.00 11.07 H new ATOM 243 N ARG 5 17 25.573 5.067 15.204 1.00 12.27 N ATOM 244 CA ARG 5 17 24.267 5.372 14.533 1.00 13.57 C ATOM 245 C ARG 5 17 24.276 6.761 13.860 1.00 11.67 C ATOM 246 O ARG 5 17 23.328 7.510 13.959 1.00 13.64 O ATOM 247 CB ARG 5 17 23.147 5.309 15.580 1.00 15.95 C ATOM 248 CG ARG 5 17 22.407 3.978 15.462 1.00 21.32 C ATOM 249 CD ARG 5 17 22.909 3.031 16.553 1.00 25.64 C ATOM 250 NE ARG 5 17 22.507 1.634 16.209 1.00 32.90 N ATOM 251 CZ ARG 5 17 21.278 1.343 15.950 1.00 35.77 C ATOM 252 NH1 ARG 5 17 20.347 2.202 16.183 1.00 36.81 N ATOM 253 NH2 ARG 5 17 20.978 0.174 15.511 1.00 36.79 N ATOM 0 H ARG 5 17 25.497 4.822 16.191 1.00 12.27 H new ATOM 0 HA ARG 5 17 24.101 4.632 13.750 1.00 13.57 H new ATOM 0 HB2 ARG 5 17 23.565 5.416 16.581 1.00 15.95 H new ATOM 0 HB3 ARG 5 17 22.453 6.136 15.434 1.00 15.95 H new ATOM 0 HG2 ARG 5 17 21.333 4.134 15.564 1.00 21.32 H new ATOM 0 HG3 ARG 5 17 22.574 3.540 14.478 1.00 21.32 H new ATOM 0 HD2 ARG 5 17 23.993 3.100 16.641 1.00 25.64 H new ATOM 0 HD3 ARG 5 17 22.492 3.315 17.519 1.00 25.64 H new ATOM 0 HE ARG 5 17 23.215 0.900 16.179 1.00 32.90 H new ATOM 0 HH11 ARG 5 17 20.581 3.115 16.573 1.00 36.81 H new ATOM 0 HH12 ARG 5 17 19.375 1.969 15.977 1.00 36.81 H new ATOM 0 HH21 ARG 5 17 21.711 -0.521 15.368 1.00 36.79 H new ATOM 0 HH22 ARG 5 17 20.007 -0.060 15.305 1.00 36.79 H new ATOM 267 N ILE 5 18 25.302 7.076 13.114 1.00 10.78 N ATOM 268 CA ILE 5 18 25.353 8.389 12.411 1.00 10.61 C ATOM 269 C ILE 5 18 24.794 8.255 10.999 1.00 10.94 C ATOM 270 O ILE 5 18 25.504 7.949 10.057 1.00 10.62 O ATOM 271 CB ILE 5 18 26.802 8.916 12.329 1.00 11.97 C ATOM 272 CG1 ILE 5 18 27.465 8.927 13.715 1.00 13.12 C ATOM 273 CG2 ILE 5 18 26.773 10.343 11.774 1.00 10.95 C ATOM 274 CD1 ILE 5 18 28.860 9.549 13.610 1.00 13.42 C ATOM 0 H ILE 5 18 26.112 6.475 12.961 1.00 10.78 H new ATOM 0 HA ILE 5 18 24.749 9.094 12.981 1.00 10.61 H new ATOM 0 HB ILE 5 18 27.380 8.260 11.678 1.00 11.97 H new ATOM 0 HG12 ILE 5 18 26.854 9.494 14.417 1.00 13.12 H new ATOM 0 HG13 ILE 5 18 27.537 7.911 14.103 1.00 13.12 H new ATOM 0 HG21 ILE 5 18 27.790 10.729 11.710 1.00 10.95 H new ATOM 0 HG22 ILE 5 18 26.324 10.338 10.781 1.00 10.95 H new ATOM 0 HG23 ILE 5 18 26.184 10.979 12.435 1.00 10.95 H new ATOM 0 HD11 ILE 5 18 29.330 9.557 14.593 1.00 13.42 H new ATOM 0 HD12 ILE 5 18 29.469 8.963 12.921 1.00 13.42 H new ATOM 0 HD13 ILE 5 18 28.776 10.571 13.240 1.00 13.42 H new ATOM 286 N ILE 5 19 23.527 8.520 10.843 1.00 10.63 N ATOM 287 CA ILE 5 19 22.907 8.439 9.484 1.00 11.65 C ATOM 288 C ILE 5 19 23.453 9.582 8.633 1.00 10.38 C ATOM 289 O ILE 5 19 23.635 10.691 9.106 1.00 12.22 O ATOM 290 CB ILE 5 19 21.369 8.535 9.557 1.00 13.30 C ATOM 291 CG1 ILE 5 19 20.863 8.150 10.956 1.00 15.24 C ATOM 292 CG2 ILE 5 19 20.757 7.587 8.523 1.00 13.64 C ATOM 293 CD1 ILE 5 19 21.299 6.725 11.298 1.00 16.83 C ATOM 0 H ILE 5 19 22.892 8.789 11.594 1.00 10.63 H new ATOM 0 HA ILE 5 19 23.157 7.475 9.041 1.00 11.65 H new ATOM 0 HB ILE 5 19 21.074 9.564 9.350 1.00 13.30 H new ATOM 0 HG12 ILE 5 19 21.255 8.846 11.697 1.00 15.24 H new ATOM 0 HG13 ILE 5 19 19.776 8.225 10.992 1.00 15.24 H new ATOM 0 HG21 ILE 5 19 19.670 7.650 8.570 1.00 13.64 H new ATOM 0 HG22 ILE 5 19 21.094 7.870 7.526 1.00 13.64 H new ATOM 0 HG23 ILE 5 19 21.070 6.565 8.736 1.00 13.64 H new ATOM 0 HD11 ILE 5 19 20.935 6.462 12.291 1.00 16.83 H new ATOM 0 HD12 ILE 5 19 20.886 6.032 10.565 1.00 16.83 H new ATOM 0 HD13 ILE 5 19 22.387 6.664 11.282 1.00 16.83 H new ATOM 305 N ARG 5 20 23.708 9.314 7.383 1.00 10.55 N ATOM 306 CA ARG 5 20 24.255 10.370 6.472 1.00 10.78 C ATOM 307 C ARG 5 20 23.704 10.161 5.052 1.00 9.27 C ATOM 308 O ARG 5 20 22.976 9.215 4.782 1.00 10.69 O ATOM 309 CB ARG 5 20 25.795 10.277 6.415 1.00 9.44 C ATOM 310 CG ARG 5 20 26.428 10.478 7.803 1.00 10.78 C ATOM 311 CD ARG 5 20 26.643 11.966 8.073 1.00 12.14 C ATOM 312 NE ARG 5 20 27.525 12.516 6.998 1.00 13.47 N ATOM 313 CZ ARG 5 20 27.733 13.791 6.884 1.00 14.63 C ATOM 314 NH1 ARG 5 20 27.164 14.627 7.694 1.00 15.39 N ATOM 315 NH2 ARG 5 20 28.505 14.220 5.939 1.00 14.38 N ATOM 0 H ARG 5 20 23.561 8.404 6.946 1.00 10.55 H new ATOM 0 HA ARG 5 20 23.958 11.347 6.854 1.00 10.78 H new ATOM 0 HB2 ARG 5 20 26.087 9.304 6.019 1.00 9.44 H new ATOM 0 HB3 ARG 5 20 26.180 11.029 5.727 1.00 9.44 H new ATOM 0 HG2 ARG 5 20 25.783 10.051 8.571 1.00 10.78 H new ATOM 0 HG3 ARG 5 20 27.380 9.950 7.857 1.00 10.78 H new ATOM 0 HD2 ARG 5 20 25.688 12.491 8.086 1.00 12.14 H new ATOM 0 HD3 ARG 5 20 27.101 12.112 9.051 1.00 12.14 H new ATOM 0 HE ARG 5 20 27.972 11.876 6.342 1.00 13.47 H new ATOM 0 HH11 ARG 5 20 26.546 14.284 8.430 1.00 15.39 H new ATOM 0 HH12 ARG 5 20 27.334 15.628 7.596 1.00 15.39 H new ATOM 0 HH21 ARG 5 20 28.940 13.558 5.296 1.00 14.38 H new ATOM 0 HH22 ARG 5 20 28.678 15.220 5.836 1.00 14.38 H new ATOM 329 N TYR 5 21 24.065 11.032 4.145 1.00 9.20 N ATOM 330 CA TYR 5 21 23.596 10.908 2.718 1.00 8.22 C ATOM 331 C TYR 5 21 24.803 10.583 1.810 1.00 8.71 C ATOM 332 O TYR 5 21 25.933 10.871 2.157 1.00 8.47 O ATOM 333 CB TYR 5 21 22.993 12.240 2.276 1.00 9.14 C ATOM 334 CG TYR 5 21 21.726 12.496 3.044 1.00 10.30 C ATOM 335 CD1 TYR 5 21 21.788 12.833 4.389 1.00 10.02 C ATOM 336 CD2 TYR 5 21 20.495 12.398 2.406 1.00 10.29 C ATOM 337 CE1 TYR 5 21 20.617 13.083 5.098 1.00 11.24 C ATOM 338 CE2 TYR 5 21 19.325 12.646 3.116 1.00 11.46 C ATOM 339 CZ TYR 5 21 19.386 12.993 4.459 1.00 12.26 C ATOM 340 OH TYR 5 21 18.229 13.255 5.152 1.00 13.81 O ATOM 0 H TYR 5 21 24.670 11.833 4.327 1.00 9.20 H new ATOM 0 HA TYR 5 21 22.852 10.115 2.644 1.00 8.22 H new ATOM 0 HB2 TYR 5 21 23.704 13.048 2.447 1.00 9.14 H new ATOM 0 HB3 TYR 5 21 22.785 12.220 1.206 1.00 9.14 H new ATOM 0 HD1 TYR 5 21 22.745 12.901 4.885 1.00 10.02 H new ATOM 0 HD2 TYR 5 21 20.447 12.130 1.361 1.00 10.29 H new ATOM 0 HE1 TYR 5 21 20.665 13.347 6.144 1.00 11.24 H new ATOM 0 HE2 TYR 5 21 18.368 12.569 2.622 1.00 11.46 H new ATOM 0 HH TYR 5 21 17.459 13.147 4.556 1.00 13.81 H new ATOM 350 N PHE 5 22 24.582 9.995 0.656 1.00 7.43 N ATOM 351 CA PHE 5 22 25.737 9.683 -0.264 1.00 6.76 C ATOM 352 C PHE 5 22 25.296 9.786 -1.732 1.00 7.20 C ATOM 353 O PHE 5 22 24.137 10.032 -2.023 1.00 7.41 O ATOM 354 CB PHE 5 22 26.251 8.267 0.004 1.00 6.59 C ATOM 355 CG PHE 5 22 25.382 7.263 -0.721 1.00 7.76 C ATOM 356 CD1 PHE 5 22 24.076 7.029 -0.277 1.00 8.78 C ATOM 357 CD2 PHE 5 22 25.873 6.583 -1.845 1.00 8.47 C ATOM 358 CE1 PHE 5 22 23.259 6.116 -0.949 1.00 9.59 C ATOM 359 CE2 PHE 5 22 25.055 5.666 -2.526 1.00 9.15 C ATOM 360 CZ PHE 5 22 23.747 5.433 -2.076 1.00 9.79 C ATOM 0 H PHE 5 22 23.663 9.718 0.310 1.00 7.43 H new ATOM 0 HA PHE 5 22 26.531 10.405 -0.075 1.00 6.76 H new ATOM 0 HB2 PHE 5 22 27.285 8.176 -0.330 1.00 6.59 H new ATOM 0 HB3 PHE 5 22 26.243 8.063 1.075 1.00 6.59 H new ATOM 0 HD1 PHE 5 22 23.698 7.555 0.587 1.00 8.78 H new ATOM 0 HD2 PHE 5 22 26.881 6.764 -2.187 1.00 8.47 H new ATOM 0 HE1 PHE 5 22 22.252 5.935 -0.602 1.00 9.59 H new ATOM 0 HE2 PHE 5 22 25.432 5.143 -3.392 1.00 9.15 H new ATOM 0 HZ PHE 5 22 23.115 4.728 -2.596 1.00 9.79 H new ATOM 370 N TYR 5 23 26.220 9.623 -2.657 1.00 8.20 N ATOM 371 CA TYR 5 23 25.865 9.700 -4.126 1.00 7.28 C ATOM 372 C TYR 5 23 25.732 8.267 -4.681 1.00 7.57 C ATOM 373 O TYR 5 23 26.697 7.528 -4.714 1.00 8.16 O ATOM 374 CB TYR 5 23 26.991 10.408 -4.876 1.00 9.85 C ATOM 375 CG TYR 5 23 26.763 10.286 -6.369 1.00 9.96 C ATOM 376 CD1 TYR 5 23 25.641 10.880 -6.965 1.00 11.33 C ATOM 377 CD2 TYR 5 23 27.676 9.576 -7.159 1.00 10.97 C ATOM 378 CE1 TYR 5 23 25.441 10.764 -8.348 1.00 11.73 C ATOM 379 CE2 TYR 5 23 27.480 9.472 -8.542 1.00 11.27 C ATOM 380 CZ TYR 5 23 26.361 10.067 -9.136 1.00 11.91 C ATOM 381 OH TYR 5 23 26.190 9.995 -10.503 1.00 14.10 O ATOM 0 H TYR 5 23 27.204 9.440 -2.463 1.00 8.20 H new ATOM 0 HA TYR 5 23 24.930 10.245 -4.252 1.00 7.28 H new ATOM 0 HB2 TYR 5 23 27.029 11.459 -4.588 1.00 9.85 H new ATOM 0 HB3 TYR 5 23 27.952 9.969 -4.608 1.00 9.85 H new ATOM 0 HD1 TYR 5 23 24.932 11.426 -6.360 1.00 11.33 H new ATOM 0 HD2 TYR 5 23 28.534 9.107 -6.700 1.00 10.97 H new ATOM 0 HE1 TYR 5 23 24.573 11.215 -8.806 1.00 11.73 H new ATOM 0 HE2 TYR 5 23 28.192 8.933 -9.150 1.00 11.27 H new ATOM 0 HH TYR 5 23 25.533 10.665 -10.786 1.00 14.10 H new ATOM 391 N ASN 5 24 24.558 7.856 -5.114 1.00 7.53 N ATOM 392 CA ASN 5 24 24.399 6.456 -5.644 1.00 8.25 C ATOM 393 C ASN 5 24 24.820 6.384 -7.115 1.00 9.26 C ATOM 394 O ASN 5 24 24.038 6.630 -8.028 1.00 9.06 O ATOM 395 CB ASN 5 24 22.942 5.982 -5.486 1.00 9.60 C ATOM 396 CG ASN 5 24 22.855 4.487 -5.806 1.00 10.11 C ATOM 397 OD1 ASN 5 24 23.682 3.959 -6.533 1.00 13.10 O ATOM 398 ND2 ASN 5 24 21.889 3.781 -5.295 1.00 12.51 N ATOM 0 H ASN 5 24 23.710 8.423 -5.124 1.00 7.53 H new ATOM 0 HA ASN 5 24 25.046 5.797 -5.065 1.00 8.25 H new ATOM 0 HB2 ASN 5 24 22.596 6.168 -4.469 1.00 9.60 H new ATOM 0 HB3 ASN 5 24 22.290 6.546 -6.153 1.00 9.60 H new ATOM 0 HD21 ASN 5 24 21.821 2.784 -5.501 1.00 12.51 H new ATOM 0 HD22 ASN 5 24 21.199 4.224 -4.688 1.00 12.51 H new ATOM 405 N ALA 5 25 26.059 6.038 -7.351 1.00 10.90 N ATOM 406 CA ALA 5 25 26.559 5.960 -8.749 1.00 12.18 C ATOM 407 C ALA 5 25 25.905 4.769 -9.486 1.00 11.03 C ATOM 408 O ALA 5 25 26.006 4.653 -10.690 1.00 12.22 O ATOM 409 CB ALA 5 25 28.080 5.776 -8.730 1.00 11.38 C ATOM 0 H ALA 5 25 26.745 5.806 -6.632 1.00 10.90 H new ATOM 0 HA ALA 5 25 26.303 6.881 -9.272 1.00 12.18 H new ATOM 0 HB1 ALA 5 25 28.452 5.718 -9.753 1.00 11.38 H new ATOM 0 HB2 ALA 5 25 28.543 6.623 -8.223 1.00 11.38 H new ATOM 0 HB3 ALA 5 25 28.329 4.856 -8.201 1.00 11.38 H new ATOM 415 N LYS 5 26 25.200 3.910 -8.785 1.00 10.74 N ATOM 416 CA LYS 5 26 24.554 2.742 -9.462 1.00 13.89 C ATOM 417 C LYS 5 26 23.382 3.205 -10.338 1.00 13.64 C ATOM 418 O LYS 5 26 23.019 2.533 -11.283 1.00 15.07 O ATOM 419 CB LYS 5 26 24.044 1.757 -8.401 1.00 18.92 C ATOM 420 CG LYS 5 26 24.439 0.331 -8.788 1.00 23.44 C ATOM 421 CD LYS 5 26 23.362 -0.245 -9.704 1.00 28.41 C ATOM 422 CE LYS 5 26 23.775 -1.639 -10.154 1.00 33.13 C ATOM 423 NZ LYS 5 26 22.800 -2.110 -11.173 1.00 36.26 N ATOM 0 H LYS 5 26 25.046 3.968 -7.778 1.00 10.74 H new ATOM 0 HA LYS 5 26 25.292 2.253 -10.098 1.00 13.89 H new ATOM 0 HB2 LYS 5 26 24.462 2.009 -7.426 1.00 18.92 H new ATOM 0 HB3 LYS 5 26 22.960 1.833 -8.312 1.00 18.92 H new ATOM 0 HG2 LYS 5 26 25.405 0.331 -9.294 1.00 23.44 H new ATOM 0 HG3 LYS 5 26 24.546 -0.286 -7.896 1.00 23.44 H new ATOM 0 HD2 LYS 5 26 22.408 -0.288 -9.179 1.00 28.41 H new ATOM 0 HD3 LYS 5 26 23.221 0.402 -10.570 1.00 28.41 H new ATOM 0 HE2 LYS 5 26 24.781 -1.620 -10.572 1.00 33.13 H new ATOM 0 HE3 LYS 5 26 23.795 -2.322 -9.304 1.00 33.13 H new ATOM 0 HZ1 LYS 5 26 23.066 -3.063 -11.493 1.00 36.26 H new ATOM 0 HZ2 LYS 5 26 21.848 -2.138 -10.756 1.00 36.26 H new ATOM 0 HZ3 LYS 5 26 22.803 -1.459 -11.984 1.00 36.26 H new ATOM 437 N ALA 5 27 22.768 4.321 -10.012 1.00 13.18 N ATOM 438 CA ALA 5 27 21.612 4.825 -10.842 1.00 11.76 C ATOM 439 C ALA 5 27 21.840 6.297 -11.226 1.00 10.74 C ATOM 440 O ALA 5 27 21.207 6.800 -12.130 1.00 11.30 O ATOM 441 CB ALA 5 27 20.300 4.699 -10.065 1.00 12.78 C ATOM 0 H ALA 5 27 23.012 4.905 -9.212 1.00 13.18 H new ATOM 0 HA ALA 5 27 21.549 4.220 -11.746 1.00 11.76 H new ATOM 0 HB1 ALA 5 27 19.477 5.067 -10.678 1.00 12.78 H new ATOM 0 HB2 ALA 5 27 20.125 3.653 -9.813 1.00 12.78 H new ATOM 0 HB3 ALA 5 27 20.361 5.287 -9.149 1.00 12.78 H new ATOM 447 N GLY 5 28 22.752 6.984 -10.580 1.00 9.60 N ATOM 448 CA GLY 5 28 23.026 8.414 -10.966 1.00 10.58 C ATOM 449 C GLY 5 28 22.152 9.359 -10.147 1.00 11.69 C ATOM 450 O GLY 5 28 21.630 10.333 -10.651 1.00 12.66 O ATOM 0 H GLY 5 28 23.316 6.625 -9.809 1.00 9.60 H new ATOM 0 HA2 GLY 5 28 24.078 8.647 -10.802 1.00 10.58 H new ATOM 0 HA3 GLY 5 28 22.830 8.555 -12.029 1.00 10.58 H new ATOM 454 N LEU 5 29 21.992 9.069 -8.885 1.00 11.42 N ATOM 455 CA LEU 5 29 21.158 9.946 -8.003 1.00 13.44 C ATOM 456 C LEU 5 29 21.645 9.800 -6.559 1.00 10.49 C ATOM 457 O LEU 5 29 22.154 8.780 -6.170 1.00 11.18 O ATOM 458 CB LEU 5 29 19.680 9.533 -8.087 1.00 15.84 C ATOM 459 CG LEU 5 29 18.803 10.774 -8.234 1.00 17.24 C ATOM 460 CD1 LEU 5 29 18.779 11.213 -9.695 1.00 18.29 C ATOM 461 CD2 LEU 5 29 17.382 10.437 -7.795 1.00 18.39 C ATOM 0 H LEU 5 29 22.404 8.259 -8.421 1.00 11.42 H new ATOM 0 HA LEU 5 29 21.252 10.982 -8.330 1.00 13.44 H new ATOM 0 HB2 LEU 5 29 19.527 8.866 -8.935 1.00 15.84 H new ATOM 0 HB3 LEU 5 29 19.396 8.980 -7.192 1.00 15.84 H new ATOM 0 HG LEU 5 29 19.205 11.577 -7.617 1.00 17.24 H new ATOM 0 HD11 LEU 5 29 18.153 12.099 -9.798 1.00 18.29 H new ATOM 0 HD12 LEU 5 29 19.793 11.445 -10.022 1.00 18.29 H new ATOM 0 HD13 LEU 5 29 18.375 10.409 -10.310 1.00 18.29 H new ATOM 0 HD21 LEU 5 29 16.751 11.320 -7.898 1.00 18.39 H new ATOM 0 HD22 LEU 5 29 16.989 9.635 -8.420 1.00 18.39 H new ATOM 0 HD23 LEU 5 29 17.390 10.115 -6.754 1.00 18.39 H new ATOM 473 N CYS 5 30 21.522 10.811 -5.770 1.00 10.45 N ATOM 474 CA CYS 5 30 22.006 10.713 -4.356 1.00 10.30 C ATOM 475 C CYS 5 30 21.023 9.872 -3.535 1.00 10.76 C ATOM 476 O CYS 5 30 19.876 9.710 -3.903 1.00 12.39 O ATOM 477 CB CYS 5 30 22.126 12.118 -3.745 1.00 10.60 C ATOM 478 SG CYS 5 30 23.399 13.054 -4.635 1.00 11.79 S ATOM 0 H CYS 5 30 21.109 11.707 -6.029 1.00 10.45 H new ATOM 0 HA CYS 5 30 22.986 10.237 -4.344 1.00 10.30 H new ATOM 0 HB2 CYS 5 30 21.169 12.636 -3.806 1.00 10.60 H new ATOM 0 HB3 CYS 5 30 22.383 12.046 -2.688 1.00 10.60 H new ATOM 483 N GLN 5 31 21.467 9.325 -2.430 1.00 8.79 N ATOM 484 CA GLN 5 31 20.556 8.495 -1.579 1.00 10.62 C ATOM 485 C GLN 5 31 21.030 8.537 -0.115 1.00 10.68 C ATOM 486 O GLN 5 31 21.984 9.201 0.212 1.00 10.44 O ATOM 487 CB GLN 5 31 20.533 7.051 -2.093 1.00 11.67 C ATOM 488 CG GLN 5 31 19.295 6.836 -2.977 1.00 13.65 C ATOM 489 CD GLN 5 31 19.671 5.989 -4.194 1.00 14.34 C ATOM 490 OE1 GLN 5 31 20.071 4.852 -4.061 1.00 15.59 O ATOM 491 NE2 GLN 5 31 19.574 6.502 -5.385 1.00 18.68 N ATOM 0 H GLN 5 31 22.421 9.417 -2.080 1.00 8.79 H new ATOM 0 HA GLN 5 31 19.545 8.899 -1.632 1.00 10.62 H new ATOM 0 HB2 GLN 5 31 21.439 6.843 -2.662 1.00 11.67 H new ATOM 0 HB3 GLN 5 31 20.517 6.356 -1.253 1.00 11.67 H new ATOM 0 HG2 GLN 5 31 18.510 6.341 -2.406 1.00 13.65 H new ATOM 0 HG3 GLN 5 31 18.896 7.797 -3.300 1.00 13.65 H new ATOM 0 HE21 GLN 5 31 19.238 7.458 -5.503 1.00 18.68 H new ATOM 0 HE22 GLN 5 31 19.834 5.948 -6.201 1.00 18.68 H new ATOM 500 N THR 5 32 20.346 7.848 0.743 1.00 11.66 N ATOM 501 CA THR 5 32 20.671 7.845 2.218 1.00 11.14 C ATOM 502 C THR 5 32 21.461 6.590 2.628 1.00 10.29 C ATOM 503 O THR 5 32 21.495 5.601 1.921 1.00 11.74 O ATOM 504 CB THR 5 32 19.355 7.834 2.992 1.00 11.90 C ATOM 505 OG1 THR 5 32 18.588 6.716 2.569 1.00 14.39 O ATOM 506 CG2 THR 5 32 18.564 9.118 2.724 1.00 13.60 C ATOM 0 H THR 5 32 19.548 7.264 0.491 1.00 11.66 H new ATOM 0 HA THR 5 32 21.276 8.725 2.436 1.00 11.14 H new ATOM 0 HB THR 5 32 19.567 7.770 4.059 1.00 11.90 H new ATOM 0 HG1 THR 5 32 17.740 6.696 3.060 1.00 14.39 H new ATOM 0 HG21 THR 5 32 17.629 9.093 3.284 1.00 13.60 H new ATOM 0 HG22 THR 5 32 19.152 9.980 3.039 1.00 13.60 H new ATOM 0 HG23 THR 5 32 18.347 9.196 1.659 1.00 13.60 H new ATOM 514 N PHE 5 33 22.116 6.640 3.767 1.00 9.22 N ATOM 515 CA PHE 5 33 22.919 5.470 4.213 1.00 9.74 C ATOM 516 C PHE 5 33 23.355 5.620 5.670 1.00 9.40 C ATOM 517 O PHE 5 33 22.972 6.548 6.347 1.00 10.22 O ATOM 518 CB PHE 5 33 24.136 5.315 3.321 1.00 9.26 C ATOM 519 CG PHE 5 33 25.271 6.189 3.785 1.00 9.20 C ATOM 520 CD1 PHE 5 33 25.245 7.560 3.523 1.00 10.04 C ATOM 521 CD2 PHE 5 33 26.393 5.608 4.374 1.00 10.68 C ATOM 522 CE1 PHE 5 33 26.340 8.355 3.869 1.00 10.37 C ATOM 523 CE2 PHE 5 33 27.503 6.398 4.691 1.00 8.91 C ATOM 524 CZ PHE 5 33 27.473 7.773 4.444 1.00 9.71 C ATOM 0 H PHE 5 33 22.125 7.440 4.400 1.00 9.22 H new ATOM 0 HA PHE 5 33 22.295 4.579 4.138 1.00 9.74 H new ATOM 0 HB2 PHE 5 33 24.455 4.273 3.316 1.00 9.26 H new ATOM 0 HB3 PHE 5 33 23.872 5.572 2.295 1.00 9.26 H new ATOM 0 HD1 PHE 5 33 24.380 8.005 3.054 1.00 10.04 H new ATOM 0 HD2 PHE 5 33 26.405 4.549 4.585 1.00 10.68 H new ATOM 0 HE1 PHE 5 33 26.311 9.420 3.692 1.00 10.37 H new ATOM 0 HE2 PHE 5 33 28.382 5.946 5.126 1.00 8.91 H new ATOM 0 HZ PHE 5 33 28.325 8.386 4.697 1.00 9.71 H new ATOM 534 N VAL 5 34 24.177 4.723 6.142 1.00 11.69 N ATOM 535 CA VAL 5 34 24.656 4.810 7.575 1.00 11.33 C ATOM 536 C VAL 5 34 26.193 4.875 7.650 1.00 10.54 C ATOM 537 O VAL 5 34 26.881 4.023 7.109 1.00 11.75 O ATOM 538 CB VAL 5 34 24.194 3.560 8.329 1.00 13.85 C ATOM 539 CG1 VAL 5 34 24.824 3.545 9.722 1.00 15.43 C ATOM 540 CG2 VAL 5 34 22.671 3.572 8.477 1.00 14.03 C ATOM 0 H VAL 5 34 24.543 3.933 5.610 1.00 11.69 H new ATOM 0 HA VAL 5 34 24.242 5.716 8.017 1.00 11.33 H new ATOM 0 HB VAL 5 34 24.500 2.676 7.769 1.00 13.85 H new ATOM 0 HG11 VAL 5 34 24.496 2.656 10.260 1.00 15.43 H new ATOM 0 HG12 VAL 5 34 25.910 3.534 9.630 1.00 15.43 H new ATOM 0 HG13 VAL 5 34 24.516 4.435 10.270 1.00 15.43 H new ATOM 0 HG21 VAL 5 34 22.351 2.679 9.014 1.00 14.03 H new ATOM 0 HG22 VAL 5 34 22.366 4.459 9.033 1.00 14.03 H new ATOM 0 HG23 VAL 5 34 22.210 3.586 7.490 1.00 14.03 H new ATOM 550 N TYR 5 35 26.735 5.853 8.356 1.00 8.67 N ATOM 551 CA TYR 5 35 28.227 5.952 8.498 1.00 8.52 C ATOM 552 C TYR 5 35 28.643 5.321 9.835 1.00 9.39 C ATOM 553 O TYR 5 35 28.019 5.542 10.862 1.00 10.05 O ATOM 554 CB TYR 5 35 28.651 7.430 8.491 1.00 9.40 C ATOM 555 CG TYR 5 35 30.143 7.590 8.797 1.00 9.39 C ATOM 556 CD1 TYR 5 35 31.084 6.649 8.342 1.00 9.35 C ATOM 557 CD2 TYR 5 35 30.584 8.700 9.529 1.00 9.32 C ATOM 558 CE1 TYR 5 35 32.445 6.818 8.615 1.00 9.35 C ATOM 559 CE2 TYR 5 35 31.952 8.866 9.802 1.00 9.94 C ATOM 560 CZ TYR 5 35 32.881 7.925 9.341 1.00 10.13 C ATOM 561 OH TYR 5 35 34.226 8.088 9.602 1.00 11.76 O ATOM 0 H TYR 5 35 26.207 6.582 8.836 1.00 8.67 H new ATOM 0 HA TYR 5 35 28.707 5.432 7.669 1.00 8.52 H new ATOM 0 HB2 TYR 5 35 28.430 7.868 7.518 1.00 9.40 H new ATOM 0 HB3 TYR 5 35 28.067 7.980 9.229 1.00 9.40 H new ATOM 0 HD1 TYR 5 35 30.753 5.790 7.778 1.00 9.35 H new ATOM 0 HD2 TYR 5 35 29.871 9.429 9.884 1.00 9.32 H new ATOM 0 HE1 TYR 5 35 33.160 6.089 8.263 1.00 9.35 H new ATOM 0 HE2 TYR 5 35 32.288 9.722 10.369 1.00 9.94 H new ATOM 0 HH TYR 5 35 34.339 8.608 10.425 1.00 11.76 H new ATOM 571 N GLY 5 36 29.691 4.535 9.831 1.00 9.59 N ATOM 572 CA GLY 5 36 30.155 3.894 11.086 1.00 9.91 C ATOM 573 C GLY 5 36 30.752 4.949 12.019 1.00 9.25 C ATOM 574 O GLY 5 36 30.547 4.900 13.215 1.00 9.95 O ATOM 0 H GLY 5 36 30.244 4.312 9.004 1.00 9.59 H new ATOM 0 HA2 GLY 5 36 29.322 3.391 11.577 1.00 9.91 H new ATOM 0 HA3 GLY 5 36 30.900 3.131 10.861 1.00 9.91 H new ATOM 578 N GLY 5 37 31.460 5.915 11.484 1.00 8.45 N ATOM 579 CA GLY 5 37 32.083 6.986 12.356 1.00 10.39 C ATOM 580 C GLY 5 37 33.574 7.077 12.049 1.00 10.61 C ATOM 581 O GLY 5 37 34.194 8.096 12.277 1.00 13.37 O ATOM 0 H GLY 5 37 31.638 6.016 10.485 1.00 8.45 H new ATOM 0 HA2 GLY 5 37 31.602 7.947 12.172 1.00 10.39 H new ATOM 0 HA3 GLY 5 37 31.930 6.749 13.409 1.00 10.39 H new ATOM 585 N CYS 5 38 34.169 6.000 11.595 1.00 10.95 N ATOM 586 CA CYS 5 38 35.659 6.017 11.320 1.00 11.65 C ATOM 587 C CYS 5 38 35.989 5.484 9.910 1.00 12.05 C ATOM 588 O CYS 5 38 35.314 4.619 9.376 1.00 11.60 O ATOM 589 CB CYS 5 38 36.363 5.126 12.347 1.00 12.40 C ATOM 590 SG CYS 5 38 35.634 3.467 12.309 1.00 12.21 S ATOM 0 H CYS 5 38 33.702 5.114 11.402 1.00 10.95 H new ATOM 0 HA CYS 5 38 36.000 7.050 11.388 1.00 11.65 H new ATOM 0 HB2 CYS 5 38 37.429 5.071 12.127 1.00 12.40 H new ATOM 0 HB3 CYS 5 38 36.265 5.555 13.344 1.00 12.40 H new ATOM 595 N ARG 5 39 37.056 5.977 9.332 1.00 12.46 N ATOM 596 CA ARG 5 39 37.491 5.513 7.999 1.00 14.63 C ATOM 597 C ARG 5 39 36.416 5.745 6.940 1.00 12.13 C ATOM 598 O ARG 5 39 36.041 4.841 6.214 1.00 13.93 O ATOM 599 CB ARG 5 39 37.862 4.028 8.063 1.00 18.16 C ATOM 600 CG ARG 5 39 39.247 3.890 8.691 1.00 22.63 C ATOM 601 CD ARG 5 39 39.993 2.731 8.041 1.00 26.10 C ATOM 602 NE ARG 5 39 41.326 2.609 8.703 1.00 30.83 N ATOM 603 CZ ARG 5 39 42.065 1.565 8.511 1.00 32.34 C ATOM 604 NH1 ARG 5 39 41.675 0.632 7.710 1.00 33.57 N ATOM 605 NH2 ARG 5 39 43.202 1.462 9.116 1.00 33.18 N ATOM 0 H ARG 5 39 37.650 6.696 9.745 1.00 12.46 H new ATOM 0 HA ARG 5 39 38.366 6.095 7.709 1.00 14.63 H new ATOM 0 HB2 ARG 5 39 37.125 3.481 8.651 1.00 18.16 H new ATOM 0 HB3 ARG 5 39 37.857 3.595 7.063 1.00 18.16 H new ATOM 0 HG2 ARG 5 39 39.809 4.815 8.562 1.00 22.63 H new ATOM 0 HG3 ARG 5 39 39.155 3.720 9.764 1.00 22.63 H new ATOM 0 HD2 ARG 5 39 39.428 1.805 8.150 1.00 26.10 H new ATOM 0 HD3 ARG 5 39 40.113 2.907 6.972 1.00 26.10 H new ATOM 0 HE ARG 5 39 41.657 3.357 9.313 1.00 30.83 H new ATOM 0 HH11 ARG 5 39 40.781 0.716 7.226 1.00 33.57 H new ATOM 0 HH12 ARG 5 39 42.260 -0.190 7.561 1.00 33.57 H new ATOM 0 HH21 ARG 5 39 43.515 2.203 9.743 1.00 33.18 H new ATOM 0 HH22 ARG 5 39 43.787 0.640 8.966 1.00 33.18 H new ATOM 619 N ALA 5 40 35.905 6.939 6.862 1.00 11.13 N ATOM 620 CA ALA 5 40 34.834 7.236 5.857 1.00 12.22 C ATOM 621 C ALA 5 40 35.486 7.392 4.474 1.00 13.37 C ATOM 622 O ALA 5 40 36.659 7.158 4.321 1.00 14.12 O ATOM 623 CB ALA 5 40 34.134 8.544 6.250 1.00 11.96 C ATOM 0 H ALA 5 40 36.179 7.727 7.449 1.00 11.13 H new ATOM 0 HA ALA 5 40 34.103 6.428 5.828 1.00 12.22 H new ATOM 0 HB1 ALA 5 40 33.352 8.770 5.525 1.00 11.96 H new ATOM 0 HB2 ALA 5 40 33.691 8.436 7.240 1.00 11.96 H new ATOM 0 HB3 ALA 5 40 34.861 9.356 6.264 1.00 11.96 H new ATOM 629 N LYS 5 41 34.742 7.750 3.478 1.00 12.73 N ATOM 630 CA LYS 5 41 35.331 7.919 2.099 1.00 12.34 C ATOM 631 C LYS 5 41 34.857 9.252 1.469 1.00 11.42 C ATOM 632 O LYS 5 41 34.253 10.083 2.129 1.00 12.35 O ATOM 633 CB LYS 5 41 34.922 6.728 1.227 1.00 15.66 C ATOM 634 CG LYS 5 41 35.377 5.422 1.897 1.00 17.23 C ATOM 635 CD LYS 5 41 36.912 5.362 1.954 1.00 21.83 C ATOM 636 CE LYS 5 41 37.352 4.353 3.024 1.00 24.86 C ATOM 637 NZ LYS 5 41 37.437 5.026 4.363 1.00 26.80 N ATOM 0 H LYS 5 41 33.742 7.938 3.543 1.00 12.73 H new ATOM 0 HA LYS 5 41 36.418 7.952 2.169 1.00 12.34 H new ATOM 0 HB2 LYS 5 41 33.841 6.720 1.087 1.00 15.66 H new ATOM 0 HB3 LYS 5 41 35.371 6.817 0.238 1.00 15.66 H new ATOM 0 HG2 LYS 5 41 34.966 5.359 2.904 1.00 17.23 H new ATOM 0 HG3 LYS 5 41 34.993 4.567 1.342 1.00 17.23 H new ATOM 0 HD2 LYS 5 41 37.310 5.072 0.982 1.00 21.83 H new ATOM 0 HD3 LYS 5 41 37.316 6.348 2.183 1.00 21.83 H new ATOM 0 HE2 LYS 5 41 36.644 3.526 3.068 1.00 24.86 H new ATOM 0 HE3 LYS 5 41 38.321 3.929 2.759 1.00 24.86 H new ATOM 0 HZ1 LYS 5 41 38.400 4.924 4.742 1.00 26.80 H new ATOM 0 HZ2 LYS 5 41 37.211 6.036 4.259 1.00 26.80 H new ATOM 0 HZ3 LYS 5 41 36.759 4.585 5.017 1.00 26.80 H new ATOM 651 N ARG 5 42 35.164 9.489 0.209 1.00 9.56 N ATOM 652 CA ARG 5 42 34.746 10.782 -0.438 1.00 9.93 C ATOM 653 C ARG 5 42 33.235 10.800 -0.616 1.00 7.40 C ATOM 654 O ARG 5 42 32.584 11.806 -0.393 1.00 9.71 O ATOM 655 CB ARG 5 42 35.395 10.944 -1.827 1.00 10.35 C ATOM 656 CG ARG 5 42 36.800 11.535 -1.673 1.00 13.91 C ATOM 657 CD ARG 5 42 37.230 12.223 -2.974 1.00 15.78 C ATOM 658 NE ARG 5 42 38.550 12.885 -2.740 1.00 21.96 N ATOM 659 CZ ARG 5 42 39.259 13.321 -3.736 1.00 24.68 C ATOM 660 NH1 ARG 5 42 38.814 13.236 -4.945 1.00 26.22 N ATOM 661 NH2 ARG 5 42 40.411 13.857 -3.518 1.00 25.19 N ATOM 0 H ARG 5 42 35.681 8.849 -0.394 1.00 9.56 H new ATOM 0 HA ARG 5 42 35.070 11.598 0.208 1.00 9.93 H new ATOM 0 HB2 ARG 5 42 35.449 9.978 -2.329 1.00 10.35 H new ATOM 0 HB3 ARG 5 42 34.783 11.594 -2.452 1.00 10.35 H new ATOM 0 HG2 ARG 5 42 36.813 12.252 -0.852 1.00 13.91 H new ATOM 0 HG3 ARG 5 42 37.508 10.747 -1.419 1.00 13.91 H new ATOM 0 HD2 ARG 5 42 37.308 11.495 -3.781 1.00 15.78 H new ATOM 0 HD3 ARG 5 42 36.485 12.958 -3.279 1.00 15.78 H new ATOM 0 HE ARG 5 42 38.897 12.995 -1.787 1.00 21.96 H new ATOM 0 HH11 ARG 5 42 37.898 12.824 -5.124 1.00 26.22 H new ATOM 0 HH12 ARG 5 42 39.378 13.581 -5.722 1.00 26.22 H new ATOM 0 HH21 ARG 5 42 40.764 13.938 -2.564 1.00 25.19 H new ATOM 0 HH22 ARG 5 42 40.970 14.200 -4.299 1.00 25.19 H new ATOM 675 N ASN 5 43 32.679 9.705 -1.060 1.00 7.80 N ATOM 676 CA ASN 5 43 31.203 9.634 -1.260 1.00 7.75 C ATOM 677 C ASN 5 43 30.575 9.838 0.121 1.00 7.34 C ATOM 678 O ASN 5 43 30.367 8.892 0.859 1.00 7.64 O ATOM 679 CB ASN 5 43 30.842 8.237 -1.786 1.00 8.94 C ATOM 680 CG ASN 5 43 29.619 8.301 -2.692 1.00 8.97 C ATOM 681 OD1 ASN 5 43 28.672 9.020 -2.430 1.00 9.17 O ATOM 682 ND2 ASN 5 43 29.586 7.549 -3.753 1.00 10.14 N ATOM 0 H ASN 5 43 33.187 8.852 -1.294 1.00 7.80 H new ATOM 0 HA ASN 5 43 30.850 10.381 -1.971 1.00 7.75 H new ATOM 0 HB2 ASN 5 43 31.686 7.821 -2.336 1.00 8.94 H new ATOM 0 HB3 ASN 5 43 30.646 7.567 -0.949 1.00 8.94 H new ATOM 0 HD21 ASN 5 43 28.768 7.563 -4.363 1.00 10.14 H new ATOM 0 HD22 ASN 5 43 30.378 6.946 -3.975 1.00 10.14 H new ATOM 689 N ASN 5 44 30.370 11.059 0.531 1.00 7.27 N ATOM 690 CA ASN 5 44 29.810 11.296 1.902 1.00 8.28 C ATOM 691 C ASN 5 44 29.194 12.707 1.975 1.00 7.79 C ATOM 692 O ASN 5 44 29.824 13.690 1.636 1.00 9.89 O ATOM 693 CB ASN 5 44 30.937 11.169 2.943 1.00 9.05 C ATOM 694 CG ASN 5 44 30.333 11.067 4.345 1.00 10.15 C ATOM 695 OD1 ASN 5 44 29.615 11.950 4.767 1.00 11.10 O ATOM 696 ND2 ASN 5 44 30.599 10.034 5.093 1.00 10.18 N ATOM 0 H ASN 5 44 30.562 11.899 -0.014 1.00 7.27 H new ATOM 0 HA ASN 5 44 29.037 10.557 2.111 1.00 8.28 H new ATOM 0 HB2 ASN 5 44 31.543 10.288 2.732 1.00 9.05 H new ATOM 0 HB3 ASN 5 44 31.599 12.033 2.884 1.00 9.05 H new ATOM 0 HD21 ASN 5 44 30.204 9.968 6.031 1.00 10.18 H new ATOM 0 HD22 ASN 5 44 31.202 9.291 4.740 1.00 10.18 H new ATOM 703 N PHE 5 45 27.956 12.806 2.401 1.00 7.78 N ATOM 704 CA PHE 5 45 27.286 14.131 2.493 1.00 9.51 C ATOM 705 C PHE 5 45 26.385 14.166 3.730 1.00 10.10 C ATOM 706 O PHE 5 45 26.198 13.162 4.403 1.00 9.63 O ATOM 707 CB PHE 5 45 26.461 14.365 1.227 1.00 11.02 C ATOM 708 CG PHE 5 45 27.411 14.528 0.066 1.00 10.38 C ATOM 709 CD1 PHE 5 45 28.056 15.749 -0.129 1.00 11.42 C ATOM 710 CD2 PHE 5 45 27.663 13.457 -0.795 1.00 11.42 C ATOM 711 CE1 PHE 5 45 28.953 15.907 -1.181 1.00 11.73 C ATOM 712 CE2 PHE 5 45 28.566 13.615 -1.856 1.00 10.82 C ATOM 713 CZ PHE 5 45 29.209 14.842 -2.044 1.00 11.68 C ATOM 0 H PHE 5 45 27.381 12.015 2.690 1.00 7.78 H new ATOM 0 HA PHE 5 45 28.033 14.919 2.583 1.00 9.51 H new ATOM 0 HB2 PHE 5 45 25.788 13.526 1.052 1.00 11.02 H new ATOM 0 HB3 PHE 5 45 25.840 15.254 1.337 1.00 11.02 H new ATOM 0 HD1 PHE 5 45 27.859 16.575 0.539 1.00 11.42 H new ATOM 0 HD2 PHE 5 45 27.164 12.511 -0.644 1.00 11.42 H new ATOM 0 HE1 PHE 5 45 29.451 16.854 -1.329 1.00 11.73 H new ATOM 0 HE2 PHE 5 45 28.764 12.791 -2.526 1.00 10.82 H new ATOM 0 HZ PHE 5 45 29.906 14.965 -2.860 1.00 11.68 H new ATOM 723 N LYS 5 46 25.835 15.314 4.054 1.00 13.15 N ATOM 724 CA LYS 5 46 24.964 15.396 5.259 1.00 15.31 C ATOM 725 C LYS 5 46 23.495 15.554 4.838 1.00 14.98 C ATOM 726 O LYS 5 46 22.602 15.219 5.584 1.00 16.56 O ATOM 727 CB LYS 5 46 25.410 16.583 6.126 1.00 17.44 C ATOM 728 CG LYS 5 46 24.965 17.888 5.465 1.00 19.58 C ATOM 729 CD LYS 5 46 25.451 19.085 6.289 1.00 22.85 C ATOM 730 CE LYS 5 46 26.529 19.833 5.506 1.00 24.99 C ATOM 731 NZ LYS 5 46 27.875 19.292 5.858 1.00 27.16 N ATOM 0 H LYS 5 46 25.953 16.186 3.539 1.00 13.15 H new ATOM 0 HA LYS 5 46 25.055 14.478 5.840 1.00 15.31 H new ATOM 0 HB2 LYS 5 46 24.978 16.502 7.124 1.00 17.44 H new ATOM 0 HB3 LYS 5 46 26.493 16.574 6.246 1.00 17.44 H new ATOM 0 HG2 LYS 5 46 25.364 17.947 4.452 1.00 19.58 H new ATOM 0 HG3 LYS 5 46 23.878 17.911 5.381 1.00 19.58 H new ATOM 0 HD2 LYS 5 46 24.617 19.752 6.510 1.00 22.85 H new ATOM 0 HD3 LYS 5 46 25.849 18.745 7.245 1.00 22.85 H new ATOM 0 HE2 LYS 5 46 26.353 19.728 4.435 1.00 24.99 H new ATOM 0 HE3 LYS 5 46 26.484 20.898 5.733 1.00 24.99 H new ATOM 0 HZ1 LYS 5 46 28.606 19.804 5.323 1.00 27.16 H new ATOM 0 HZ2 LYS 5 46 28.043 19.414 6.877 1.00 27.16 H new ATOM 0 HZ3 LYS 5 46 27.916 18.281 5.619 1.00 27.16 H new ATOM 745 N SER 5 47 23.254 16.092 3.669 1.00 15.47 N ATOM 746 CA SER 5 47 21.854 16.270 3.174 1.00 15.09 C ATOM 747 C SER 5 47 21.806 15.867 1.698 1.00 14.56 C ATOM 748 O SER 5 47 22.807 15.910 0.990 1.00 13.03 O ATOM 749 CB SER 5 47 21.419 17.737 3.296 1.00 15.63 C ATOM 750 OG SER 5 47 21.815 18.444 2.121 1.00 16.91 O ATOM 0 H SER 5 47 23.977 16.420 3.028 1.00 15.47 H new ATOM 0 HA SER 5 47 21.184 15.652 3.771 1.00 15.09 H new ATOM 0 HB2 SER 5 47 20.338 17.799 3.425 1.00 15.63 H new ATOM 0 HB3 SER 5 47 21.872 18.191 4.178 1.00 15.63 H new ATOM 0 HG SER 5 47 22.525 19.081 2.346 1.00 16.91 H new ATOM 756 N ALA 5 48 20.653 15.477 1.225 1.00 14.50 N ATOM 757 CA ALA 5 48 20.524 15.092 -0.211 1.00 15.49 C ATOM 758 C ALA 5 48 20.742 16.344 -1.065 1.00 14.13 C ATOM 759 O ALA 5 48 21.327 16.278 -2.135 1.00 13.28 O ATOM 760 CB ALA 5 48 19.126 14.527 -0.470 1.00 16.34 C ATOM 0 H ALA 5 48 19.794 15.408 1.771 1.00 14.50 H new ATOM 0 HA ALA 5 48 21.262 14.331 -0.464 1.00 15.49 H new ATOM 0 HB1 ALA 5 48 19.035 14.247 -1.520 1.00 16.34 H new ATOM 0 HB2 ALA 5 48 18.967 13.648 0.155 1.00 16.34 H new ATOM 0 HB3 ALA 5 48 18.378 15.283 -0.230 1.00 16.34 H new ATOM 766 N GLU 5 49 20.253 17.464 -0.599 1.00 14.30 N ATOM 767 CA GLU 5 49 20.483 18.738 -1.320 1.00 16.73 C ATOM 768 C GLU 5 49 22.001 18.892 -1.512 1.00 14.46 C ATOM 769 O GLU 5 49 22.492 19.116 -2.608 1.00 14.56 O ATOM 770 CB GLU 5 49 19.981 19.919 -0.472 1.00 21.56 C ATOM 771 CG GLU 5 49 18.485 19.798 -0.122 1.00 26.75 C ATOM 772 CD GLU 5 49 18.109 18.423 0.281 1.00 29.54 C ATOM 773 OE1 GLU 5 49 18.525 17.999 1.339 1.00 34.26 O ATOM 774 OE2 GLU 5 49 17.394 17.789 -0.464 1.00 32.40 O ATOM 0 H GLU 5 49 19.702 17.545 0.255 1.00 14.30 H new ATOM 0 HA GLU 5 49 19.955 18.729 -2.274 1.00 16.73 H new ATOM 0 HB2 GLU 5 49 20.563 19.975 0.448 1.00 21.56 H new ATOM 0 HB3 GLU 5 49 20.150 20.850 -1.014 1.00 21.56 H new ATOM 0 HG2 GLU 5 49 18.247 20.489 0.687 1.00 26.75 H new ATOM 0 HG3 GLU 5 49 17.888 20.097 -0.983 1.00 26.75 H new ATOM 781 N ASP 5 50 22.744 18.717 -0.445 1.00 14.10 N ATOM 782 CA ASP 5 50 24.236 18.822 -0.508 1.00 13.93 C ATOM 783 C ASP 5 50 24.820 17.889 -1.574 1.00 11.78 C ATOM 784 O ASP 5 50 25.558 18.308 -2.454 1.00 12.10 O ATOM 785 CB ASP 5 50 24.816 18.441 0.861 1.00 18.61 C ATOM 786 CG ASP 5 50 24.862 19.667 1.748 1.00 25.48 C ATOM 787 OD1 ASP 5 50 23.804 20.110 2.159 1.00 29.01 O ATOM 788 OD2 ASP 5 50 25.959 20.158 1.981 1.00 27.88 O ATOM 0 H ASP 5 50 22.373 18.503 0.481 1.00 14.10 H new ATOM 0 HA ASP 5 50 24.499 19.847 -0.771 1.00 13.93 H new ATOM 0 HB2 ASP 5 50 24.205 17.667 1.324 1.00 18.61 H new ATOM 0 HB3 ASP 5 50 25.817 18.028 0.741 1.00 18.61 H new ATOM 793 N CYS 5 51 24.534 16.616 -1.482 1.00 10.22 N ATOM 794 CA CYS 5 51 25.094 15.632 -2.468 1.00 10.57 C ATOM 795 C CYS 5 51 24.645 15.962 -3.902 1.00 11.23 C ATOM 796 O CYS 5 51 25.410 15.829 -4.850 1.00 11.33 O ATOM 797 CB CYS 5 51 24.600 14.230 -2.098 1.00 9.71 C ATOM 798 SG CYS 5 51 25.012 13.050 -3.411 1.00 10.82 S ATOM 0 H CYS 5 51 23.934 16.210 -0.764 1.00 10.22 H new ATOM 0 HA CYS 5 51 26.182 15.682 -2.431 1.00 10.57 H new ATOM 0 HB2 CYS 5 51 25.054 13.913 -1.159 1.00 9.71 H new ATOM 0 HB3 CYS 5 51 23.522 14.247 -1.940 1.00 9.71 H new ATOM 803 N MET 5 52 23.416 16.374 -4.076 1.00 12.19 N ATOM 804 CA MET 5 52 22.906 16.682 -5.453 1.00 15.04 C ATOM 805 C MET 5 52 23.621 17.913 -6.027 1.00 15.23 C ATOM 806 O MET 5 52 24.102 17.904 -7.151 1.00 16.42 O ATOM 807 CB MET 5 52 21.403 16.945 -5.370 1.00 16.60 C ATOM 808 CG MET 5 52 20.679 15.629 -5.062 1.00 19.07 C ATOM 809 SD MET 5 52 21.052 14.418 -6.355 1.00 21.60 S ATOM 810 CE MET 5 52 19.739 14.908 -7.496 1.00 20.98 C ATOM 0 H MET 5 52 22.740 16.512 -3.325 1.00 12.19 H new ATOM 0 HA MET 5 52 23.102 15.836 -6.111 1.00 15.04 H new ATOM 0 HB2 MET 5 52 21.192 17.681 -4.594 1.00 16.60 H new ATOM 0 HB3 MET 5 52 21.042 17.362 -6.310 1.00 16.60 H new ATOM 0 HG2 MET 5 52 20.993 15.248 -4.090 1.00 19.07 H new ATOM 0 HG3 MET 5 52 19.604 15.798 -5.006 1.00 19.07 H new ATOM 0 HE1 MET 5 52 19.778 14.281 -8.387 1.00 20.98 H new ATOM 0 HE2 MET 5 52 18.771 14.788 -7.010 1.00 20.98 H new ATOM 0 HE3 MET 5 52 19.875 15.951 -7.781 1.00 20.98 H new ATOM 820 N ARG 5 53 23.716 18.957 -5.247 1.00 17.25 N ATOM 821 CA ARG 5 53 24.397 20.206 -5.703 1.00 19.58 C ATOM 822 C ARG 5 53 25.921 20.003 -5.790 1.00 19.14 C ATOM 823 O ARG 5 53 26.605 20.734 -6.476 1.00 18.79 O ATOM 824 CB ARG 5 53 24.052 21.325 -4.693 1.00 21.70 C ATOM 825 CG ARG 5 53 25.255 22.251 -4.439 1.00 24.59 C ATOM 826 CD ARG 5 53 26.159 21.635 -3.362 1.00 26.49 C ATOM 827 NE ARG 5 53 25.675 22.046 -2.009 1.00 30.03 N ATOM 828 CZ ARG 5 53 26.092 21.437 -0.933 1.00 30.47 C ATOM 829 NH1 ARG 5 53 26.964 20.478 -1.003 1.00 30.70 N ATOM 830 NH2 ARG 5 53 25.631 21.788 0.225 1.00 31.82 N ATOM 0 H ARG 5 53 23.345 18.998 -4.298 1.00 17.25 H new ATOM 0 HA ARG 5 53 24.053 20.476 -6.701 1.00 19.58 H new ATOM 0 HB2 ARG 5 53 23.214 21.911 -5.071 1.00 21.70 H new ATOM 0 HB3 ARG 5 53 23.730 20.880 -3.752 1.00 21.70 H new ATOM 0 HG2 ARG 5 53 25.817 22.395 -5.362 1.00 24.59 H new ATOM 0 HG3 ARG 5 53 24.909 23.234 -4.120 1.00 24.59 H new ATOM 0 HD2 ARG 5 53 26.155 20.548 -3.447 1.00 26.49 H new ATOM 0 HD3 ARG 5 53 27.189 21.962 -3.506 1.00 26.49 H new ATOM 0 HE ARG 5 53 25.009 22.814 -1.926 1.00 30.03 H new ATOM 0 HH11 ARG 5 53 27.334 20.190 -1.909 1.00 30.70 H new ATOM 0 HH12 ARG 5 53 27.279 20.012 -0.152 1.00 30.70 H new ATOM 0 HH21 ARG 5 53 24.944 22.539 0.294 1.00 31.82 H new ATOM 0 HH22 ARG 5 53 25.955 21.314 1.068 1.00 31.82 H new ATOM 844 N THR 5 54 26.467 19.041 -5.089 1.00 16.27 N ATOM 845 CA THR 5 54 27.949 18.850 -5.119 1.00 15.50 C ATOM 846 C THR 5 54 28.375 17.719 -6.070 1.00 14.44 C ATOM 847 O THR 5 54 29.120 17.938 -7.004 1.00 14.74 O ATOM 848 CB THR 5 54 28.452 18.548 -3.696 1.00 16.69 C ATOM 849 OG1 THR 5 54 27.657 19.259 -2.744 1.00 17.09 O ATOM 850 CG2 THR 5 54 29.910 18.991 -3.565 1.00 16.12 C ATOM 0 H THR 5 54 25.954 18.384 -4.501 1.00 16.27 H new ATOM 0 HA THR 5 54 28.394 19.772 -5.493 1.00 15.50 H new ATOM 0 HB THR 5 54 28.375 17.477 -3.508 1.00 16.69 H new ATOM 0 HG1 THR 5 54 26.959 18.667 -2.394 1.00 17.09 H new ATOM 0 HG21 THR 5 54 30.266 18.777 -2.557 1.00 16.12 H new ATOM 0 HG22 THR 5 54 30.521 18.451 -4.288 1.00 16.12 H new ATOM 0 HG23 THR 5 54 29.984 20.062 -3.756 1.00 16.12 H new ATOM 858 N CYS 5 55 27.956 16.508 -5.822 1.00 12.64 N ATOM 859 CA CYS 5 55 28.377 15.368 -6.695 1.00 14.57 C ATOM 860 C CYS 5 55 27.345 15.187 -7.778 1.00 16.68 C ATOM 861 O CYS 5 55 27.670 15.059 -8.950 1.00 17.00 O ATOM 862 CB CYS 5 55 28.451 14.087 -5.864 1.00 13.88 C ATOM 863 SG CYS 5 55 28.445 12.660 -6.972 1.00 13.03 S ATOM 0 H CYS 5 55 27.338 16.255 -5.051 1.00 12.64 H new ATOM 0 HA CYS 5 55 29.354 15.577 -7.130 1.00 14.57 H new ATOM 0 HB2 CYS 5 55 29.355 14.086 -5.255 1.00 13.88 H new ATOM 0 HB3 CYS 5 55 27.605 14.034 -5.179 1.00 13.88 H new ATOM 868 N GLY 5 56 26.097 15.193 -7.401 1.00 22.23 N ATOM 869 CA GLY 5 56 25.023 15.015 -8.414 1.00 26.06 C ATOM 870 C GLY 5 56 25.214 16.061 -9.515 1.00 29.57 C ATOM 871 O GLY 5 56 25.727 15.757 -10.581 1.00 31.26 O ATOM 0 H GLY 5 56 25.776 15.313 -6.440 1.00 22.23 H new ATOM 0 HA2 GLY 5 56 25.063 14.010 -8.835 1.00 26.06 H new ATOM 0 HA3 GLY 5 56 24.043 15.128 -7.950 1.00 26.06 H new ATOM 875 N GLY 5 57 24.794 17.284 -9.283 1.00 36.75 N ATOM 876 CA GLY 5 57 24.942 18.342 -10.334 1.00 40.04 C ATOM 877 C GLY 5 57 24.095 17.960 -11.559 1.00 43.19 C ATOM 878 O GLY 5 57 23.319 18.752 -12.058 1.00 44.36 O ATOM 0 H GLY 5 57 24.357 17.594 -8.415 1.00 36.75 H new ATOM 0 HA2 GLY 5 57 24.622 19.308 -9.942 1.00 40.04 H new ATOM 0 HA3 GLY 5 57 25.989 18.445 -10.619 1.00 40.04 H new ATOM 882 N ALA 5 58 24.227 16.744 -12.029 1.00 46.32 N ATOM 883 CA ALA 5 58 23.450 16.296 -13.222 1.00 46.11 C ATOM 884 C ALA 5 58 23.758 14.810 -13.511 1.00 47.14 C ATOM 885 O ALA 5 58 24.051 14.087 -12.572 1.00 47.19 O ATOM 886 CB ALA 5 58 23.865 17.163 -14.421 1.00 45.68 C ATOM 887 OXT ALA 5 58 23.701 14.415 -14.665 1.00 48.98 O ATOM 0 H ALA 5 58 24.846 16.037 -11.632 1.00 46.32 H new ATOM 0 HA ALA 5 58 22.380 16.401 -13.040 1.00 46.11 H new ATOM 0 HB1 ALA 5 58 23.308 16.852 -15.305 1.00 45.68 H new ATOM 0 HB2 ALA 5 58 23.649 18.209 -14.206 1.00 45.68 H new ATOM 0 HB3 ALA 5 58 24.933 17.044 -14.604 1.00 45.68 H new