USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 446 hydrogens (8 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= 0.2 K(o=1.1,f=-9.3!) USER MOD Set 1.2: 5 31 GLN : amide:sc= 0.914 K(o=1.1,f=-9.3) USER MOD Single : 5 1 ARG N :NH3+ -108:sc= -1.56 (180deg=-6.23!) USER MOD Single : 5 10 TYR OH : rot 180:sc= 0 USER MOD Single : 5 11 THR OG1 : rot -82:sc= 1.25 USER MOD Single : 5 15 LYS NZ :NH3+ -142:sc= -3.19! (180deg=-8.68!) USER MOD Single : 5 21 TYR OH : rot 180:sc= 0 USER MOD Single : 5 23 TYR OH : rot 0:sc= -1.85! USER MOD Single : 5 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 5 32 THR OG1 : rot 180:sc= 0.00173 USER MOD Single : 5 35 TYR OH : rot -153:sc= -0.251 USER MOD Single : 5 41 LYS NZ :NH3+ -116:sc= -0.828! (180deg=-7.43!) USER MOD Single : 5 43 ASN : amide:sc= 2.75 K(o=2.7,f=-9.1!) USER MOD Single : 5 44 ASN : amide:sc= 1.18 K(o=1.2,f=-5.6!) USER MOD Single : 5 46 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0998) USER MOD Single : 5 47 SER OG : rot -127:sc= 1.73 USER MOD Single : 5 52 MET CE :methyl -115:sc= -0.014 (180deg=-0.154) USER MOD Single : 5 54 THR OG1 : rot 104:sc= -3.52! USER MOD ----------------------------------------------------------------- ATOM 1 N ARG 5 1 28.376 14.400 -11.104 1.00 28.28 N ATOM 2 CA ARG 5 1 29.038 13.188 -10.538 1.00 27.90 C ATOM 3 C ARG 5 1 30.537 13.184 -10.895 1.00 24.90 C ATOM 4 O ARG 5 1 30.994 12.338 -11.635 1.00 24.44 O ATOM 5 CB ARG 5 1 28.358 11.927 -11.101 1.00 27.88 C ATOM 6 CG ARG 5 1 28.349 11.964 -12.636 1.00 29.61 C ATOM 7 CD ARG 5 1 27.659 10.711 -13.183 1.00 31.91 C ATOM 8 NE ARG 5 1 26.616 11.113 -14.181 1.00 33.51 N ATOM 9 CZ ARG 5 1 25.749 12.052 -13.916 1.00 34.29 C ATOM 10 NH1 ARG 5 1 25.588 12.481 -12.709 1.00 35.44 N ATOM 11 NH2 ARG 5 1 24.995 12.513 -14.854 1.00 34.48 N ATOM 0 H1 ARG 5 1 28.145 15.061 -10.335 1.00 28.28 H new ATOM 0 H2 ARG 5 1 29.018 14.864 -11.778 1.00 28.28 H new ATOM 0 H3 ARG 5 1 27.502 14.121 -11.594 1.00 28.28 H new ATOM 0 HA ARG 5 1 28.941 13.199 -9.452 1.00 27.90 H new ATOM 0 HB2 ARG 5 1 28.884 11.037 -10.755 1.00 27.88 H new ATOM 0 HB3 ARG 5 1 27.337 11.859 -10.726 1.00 27.88 H new ATOM 0 HG2 ARG 5 1 27.830 12.857 -12.984 1.00 29.61 H new ATOM 0 HG3 ARG 5 1 29.370 12.022 -13.013 1.00 29.61 H new ATOM 0 HD2 ARG 5 1 28.392 10.054 -13.651 1.00 31.91 H new ATOM 0 HD3 ARG 5 1 27.202 10.149 -12.369 1.00 31.91 H new ATOM 0 HE ARG 5 1 26.583 10.643 -15.086 1.00 33.51 H new ATOM 0 HH11 ARG 5 1 26.142 12.086 -11.949 1.00 35.44 H new ATOM 0 HH12 ARG 5 1 24.907 13.215 -12.515 1.00 35.44 H new ATOM 0 HH21 ARG 5 1 25.076 12.144 -15.801 1.00 34.48 H new ATOM 0 HH22 ARG 5 1 24.317 13.247 -14.649 1.00 34.48 H new ATOM 27 N PRO 5 2 31.297 14.127 -10.373 1.00 22.41 N ATOM 28 CA PRO 5 2 32.770 14.221 -10.642 1.00 19.52 C ATOM 29 C PRO 5 2 33.558 13.031 -10.055 1.00 17.70 C ATOM 30 O PRO 5 2 33.054 11.925 -9.957 1.00 16.41 O ATOM 31 CB PRO 5 2 33.193 15.546 -9.977 1.00 21.00 C ATOM 32 CG PRO 5 2 31.922 16.279 -9.686 1.00 20.91 C ATOM 33 CD PRO 5 2 30.856 15.207 -9.475 1.00 22.49 C ATOM 0 HA PRO 5 2 32.982 14.193 -11.711 1.00 19.52 H new ATOM 0 HB2 PRO 5 2 33.757 15.362 -9.062 1.00 21.00 H new ATOM 0 HB3 PRO 5 2 33.837 16.127 -10.637 1.00 21.00 H new ATOM 0 HG2 PRO 5 2 32.027 16.905 -8.800 1.00 20.91 H new ATOM 0 HG3 PRO 5 2 31.654 16.938 -10.512 1.00 20.91 H new ATOM 0 HD2 PRO 5 2 30.814 14.878 -8.437 1.00 22.49 H new ATOM 0 HD3 PRO 5 2 29.861 15.569 -9.736 1.00 22.49 H new ATOM 41 N ASP 5 3 34.788 13.251 -9.656 1.00 16.15 N ATOM 42 CA ASP 5 3 35.603 12.139 -9.083 1.00 17.15 C ATOM 43 C ASP 5 3 34.933 11.590 -7.819 1.00 13.33 C ATOM 44 O ASP 5 3 34.624 10.412 -7.733 1.00 12.36 O ATOM 45 CB ASP 5 3 37.013 12.652 -8.752 1.00 24.92 C ATOM 46 CG ASP 5 3 36.933 13.910 -7.880 1.00 31.50 C ATOM 47 OD1 ASP 5 3 36.429 14.910 -8.359 1.00 35.43 O ATOM 48 OD2 ASP 5 3 37.388 13.853 -6.749 1.00 35.71 O ATOM 0 H ASP 5 3 35.261 14.154 -9.703 1.00 16.15 H new ATOM 0 HA ASP 5 3 35.676 11.335 -9.816 1.00 17.15 H new ATOM 0 HB2 ASP 5 3 37.576 11.877 -8.232 1.00 24.92 H new ATOM 0 HB3 ASP 5 3 37.552 12.874 -9.673 1.00 24.92 H new ATOM 53 N PHE 5 4 34.705 12.425 -6.839 1.00 12.38 N ATOM 54 CA PHE 5 4 34.057 11.951 -5.576 1.00 13.61 C ATOM 55 C PHE 5 4 32.631 11.460 -5.875 1.00 13.10 C ATOM 56 O PHE 5 4 31.675 11.827 -5.219 1.00 13.82 O ATOM 57 CB PHE 5 4 34.029 13.095 -4.547 1.00 12.65 C ATOM 58 CG PHE 5 4 33.584 14.389 -5.197 1.00 12.81 C ATOM 59 CD1 PHE 5 4 32.227 14.722 -5.230 1.00 12.38 C ATOM 60 CD2 PHE 5 4 34.529 15.265 -5.746 1.00 13.29 C ATOM 61 CE1 PHE 5 4 31.812 15.925 -5.809 1.00 14.62 C ATOM 62 CE2 PHE 5 4 34.114 16.468 -6.330 1.00 14.01 C ATOM 63 CZ PHE 5 4 32.754 16.799 -6.361 1.00 13.69 C ATOM 0 H PHE 5 4 34.940 13.417 -6.857 1.00 12.38 H new ATOM 0 HA PHE 5 4 34.631 11.122 -5.162 1.00 13.61 H new ATOM 0 HB2 PHE 5 4 33.352 12.841 -3.731 1.00 12.65 H new ATOM 0 HB3 PHE 5 4 35.020 13.223 -4.111 1.00 12.65 H new ATOM 0 HD1 PHE 5 4 31.497 14.048 -4.807 1.00 12.38 H new ATOM 0 HD2 PHE 5 4 35.579 15.012 -5.719 1.00 13.29 H new ATOM 0 HE1 PHE 5 4 30.763 16.180 -5.830 1.00 14.62 H new ATOM 0 HE2 PHE 5 4 34.843 17.141 -6.757 1.00 14.01 H new ATOM 0 HZ PHE 5 4 32.433 17.727 -6.810 1.00 13.69 H new ATOM 73 N CYS 5 5 32.491 10.627 -6.867 1.00 12.49 N ATOM 74 CA CYS 5 5 31.145 10.097 -7.230 1.00 10.18 C ATOM 75 C CYS 5 5 31.282 8.674 -7.776 1.00 10.29 C ATOM 76 O CYS 5 5 30.330 8.103 -8.270 1.00 10.73 O ATOM 77 CB CYS 5 5 30.529 10.992 -8.306 1.00 10.74 C ATOM 78 SG CYS 5 5 30.282 12.658 -7.639 1.00 12.66 S ATOM 0 H CYS 5 5 33.257 10.287 -7.448 1.00 12.49 H new ATOM 0 HA CYS 5 5 30.508 10.085 -6.346 1.00 10.18 H new ATOM 0 HB2 CYS 5 5 31.181 11.031 -9.178 1.00 10.74 H new ATOM 0 HB3 CYS 5 5 29.577 10.577 -8.638 1.00 10.74 H new ATOM 83 N LEU 5 6 32.461 8.105 -7.696 1.00 10.75 N ATOM 84 CA LEU 5 6 32.673 6.719 -8.222 1.00 12.75 C ATOM 85 C LEU 5 6 32.810 5.719 -7.065 1.00 13.85 C ATOM 86 O LEU 5 6 32.160 4.695 -7.053 1.00 15.33 O ATOM 87 CB LEU 5 6 33.948 6.693 -9.069 1.00 14.73 C ATOM 88 CG LEU 5 6 33.710 7.444 -10.384 1.00 16.78 C ATOM 89 CD1 LEU 5 6 34.710 8.594 -10.515 1.00 17.42 C ATOM 90 CD2 LEU 5 6 33.889 6.481 -11.557 1.00 16.88 C ATOM 0 H LEU 5 6 33.288 8.542 -7.288 1.00 10.75 H new ATOM 0 HA LEU 5 6 31.813 6.436 -8.829 1.00 12.75 H new ATOM 0 HB2 LEU 5 6 34.770 7.152 -8.520 1.00 14.73 H new ATOM 0 HB3 LEU 5 6 34.239 5.663 -9.275 1.00 14.73 H new ATOM 0 HG LEU 5 6 32.697 7.847 -10.389 1.00 16.78 H new ATOM 0 HD11 LEU 5 6 34.535 9.123 -11.452 1.00 17.42 H new ATOM 0 HD12 LEU 5 6 34.584 9.283 -9.680 1.00 17.42 H new ATOM 0 HD13 LEU 5 6 35.725 8.196 -10.507 1.00 17.42 H new ATOM 0 HD21 LEU 5 6 33.720 7.013 -12.493 1.00 16.88 H new ATOM 0 HD22 LEU 5 6 34.902 6.078 -11.546 1.00 16.88 H new ATOM 0 HD23 LEU 5 6 33.173 5.664 -11.470 1.00 16.88 H new ATOM 102 N GLU 5 7 33.645 6.007 -6.093 1.00 12.79 N ATOM 103 CA GLU 5 7 33.816 5.067 -4.939 1.00 15.64 C ATOM 104 C GLU 5 7 32.444 4.773 -4.296 1.00 12.90 C ATOM 105 O GLU 5 7 31.702 5.680 -3.954 1.00 12.97 O ATOM 106 CB GLU 5 7 34.776 5.680 -3.900 1.00 17.43 C ATOM 107 CG GLU 5 7 34.783 7.215 -4.008 1.00 19.72 C ATOM 108 CD GLU 5 7 34.880 7.833 -2.610 1.00 20.46 C ATOM 109 OE1 GLU 5 7 33.881 7.820 -1.908 1.00 18.99 O ATOM 110 OE2 GLU 5 7 35.944 8.314 -2.261 1.00 22.37 O ATOM 0 H GLU 5 7 34.215 6.852 -6.050 1.00 12.79 H new ATOM 0 HA GLU 5 7 34.243 4.131 -5.298 1.00 15.64 H new ATOM 0 HB2 GLU 5 7 34.473 5.382 -2.896 1.00 17.43 H new ATOM 0 HB3 GLU 5 7 35.784 5.295 -4.056 1.00 17.43 H new ATOM 0 HG2 GLU 5 7 35.624 7.542 -4.619 1.00 19.72 H new ATOM 0 HG3 GLU 5 7 33.876 7.558 -4.505 1.00 19.72 H new ATOM 117 N PRO 5 8 32.108 3.505 -4.155 1.00 13.23 N ATOM 118 CA PRO 5 8 30.798 3.066 -3.571 1.00 13.50 C ATOM 119 C PRO 5 8 30.667 3.395 -2.073 1.00 12.26 C ATOM 120 O PRO 5 8 31.650 3.599 -1.386 1.00 11.77 O ATOM 121 CB PRO 5 8 30.783 1.548 -3.810 1.00 15.10 C ATOM 122 CG PRO 5 8 32.218 1.155 -3.920 1.00 16.05 C ATOM 123 CD PRO 5 8 32.943 2.351 -4.535 1.00 15.37 C ATOM 0 HA PRO 5 8 29.958 3.585 -4.033 1.00 13.50 H new ATOM 0 HB2 PRO 5 8 30.293 1.025 -2.989 1.00 15.10 H new ATOM 0 HB3 PRO 5 8 30.235 1.298 -4.719 1.00 15.10 H new ATOM 0 HG2 PRO 5 8 32.631 0.911 -2.941 1.00 16.05 H new ATOM 0 HG3 PRO 5 8 32.332 0.268 -4.544 1.00 16.05 H new ATOM 0 HD2 PRO 5 8 33.957 2.446 -4.147 1.00 15.37 H new ATOM 0 HD3 PRO 5 8 33.024 2.256 -5.618 1.00 15.37 H new ATOM 131 N PRO 5 9 29.448 3.456 -1.578 1.00 11.39 N ATOM 132 CA PRO 5 9 29.160 3.779 -0.147 1.00 11.12 C ATOM 133 C PRO 5 9 30.111 3.054 0.824 1.00 10.17 C ATOM 134 O PRO 5 9 30.325 1.862 0.714 1.00 12.88 O ATOM 135 CB PRO 5 9 27.727 3.283 0.070 1.00 11.43 C ATOM 136 CG PRO 5 9 27.105 3.124 -1.283 1.00 12.21 C ATOM 137 CD PRO 5 9 28.213 3.215 -2.340 1.00 11.84 C ATOM 0 HA PRO 5 9 29.292 4.843 0.048 1.00 11.12 H new ATOM 0 HB2 PRO 5 9 27.725 2.335 0.608 1.00 11.43 H new ATOM 0 HB3 PRO 5 9 27.161 3.993 0.673 1.00 11.43 H new ATOM 0 HG2 PRO 5 9 26.591 2.165 -1.354 1.00 12.21 H new ATOM 0 HG3 PRO 5 9 26.357 3.899 -1.450 1.00 12.21 H new ATOM 0 HD2 PRO 5 9 28.281 2.295 -2.921 1.00 11.84 H new ATOM 0 HD3 PRO 5 9 28.020 4.024 -3.045 1.00 11.84 H new ATOM 145 N TYR 5 10 30.674 3.757 1.769 1.00 9.53 N ATOM 146 CA TYR 5 10 31.604 3.103 2.738 1.00 10.73 C ATOM 147 C TYR 5 10 31.147 3.410 4.169 1.00 9.35 C ATOM 148 O TYR 5 10 31.262 4.525 4.644 1.00 9.61 O ATOM 149 CB TYR 5 10 33.020 3.642 2.509 1.00 12.55 C ATOM 150 CG TYR 5 10 34.030 2.790 3.239 1.00 14.36 C ATOM 151 CD1 TYR 5 10 34.556 1.647 2.625 1.00 16.08 C ATOM 152 CD2 TYR 5 10 34.452 3.153 4.524 1.00 14.93 C ATOM 153 CE1 TYR 5 10 35.501 0.867 3.299 1.00 16.73 C ATOM 154 CE2 TYR 5 10 35.397 2.370 5.195 1.00 15.90 C ATOM 155 CZ TYR 5 10 35.920 1.230 4.582 1.00 17.33 C ATOM 156 OH TYR 5 10 36.847 0.460 5.243 1.00 19.17 O ATOM 0 H TYR 5 10 30.531 4.757 1.913 1.00 9.53 H new ATOM 0 HA TYR 5 10 31.600 2.023 2.590 1.00 10.73 H new ATOM 0 HB2 TYR 5 10 33.245 3.651 1.442 1.00 12.55 H new ATOM 0 HB3 TYR 5 10 33.085 4.673 2.857 1.00 12.55 H new ATOM 0 HD1 TYR 5 10 34.233 1.368 1.633 1.00 16.08 H new ATOM 0 HD2 TYR 5 10 34.048 4.036 4.996 1.00 14.93 H new ATOM 0 HE1 TYR 5 10 35.907 -0.016 2.828 1.00 16.73 H new ATOM 0 HE2 TYR 5 10 35.722 2.647 6.187 1.00 15.90 H new ATOM 0 HH TYR 5 10 37.030 0.851 6.123 1.00 19.17 H new ATOM 166 N THR 5 11 30.621 2.430 4.853 1.00 10.38 N ATOM 167 CA THR 5 11 30.146 2.652 6.251 1.00 12.46 C ATOM 168 C THR 5 11 31.357 2.655 7.196 1.00 11.29 C ATOM 169 O THR 5 11 31.440 3.453 8.112 1.00 11.82 O ATOM 170 CB THR 5 11 29.171 1.529 6.641 1.00 13.67 C ATOM 171 OG1 THR 5 11 27.930 1.723 5.971 1.00 15.23 O ATOM 172 CG2 THR 5 11 28.926 1.543 8.150 1.00 14.27 C ATOM 0 H THR 5 11 30.499 1.480 4.502 1.00 10.38 H new ATOM 0 HA THR 5 11 29.630 3.610 6.325 1.00 12.46 H new ATOM 0 HB THR 5 11 29.606 0.572 6.354 1.00 13.67 H new ATOM 0 HG1 THR 5 11 27.390 2.375 6.465 1.00 15.23 H new ATOM 0 HG21 THR 5 11 28.234 0.743 8.414 1.00 14.27 H new ATOM 0 HG22 THR 5 11 29.870 1.393 8.673 1.00 14.27 H new ATOM 0 HG23 THR 5 11 28.499 2.503 8.440 1.00 14.27 H new ATOM 180 N GLY 5 12 32.303 1.777 6.971 1.00 12.43 N ATOM 181 CA GLY 5 12 33.521 1.743 7.846 1.00 13.15 C ATOM 182 C GLY 5 12 33.365 0.729 8.992 1.00 12.80 C ATOM 183 O GLY 5 12 32.278 0.252 9.287 1.00 12.30 O ATOM 0 H GLY 5 12 32.287 1.084 6.223 1.00 12.43 H new ATOM 0 HA2 GLY 5 12 34.394 1.484 7.246 1.00 13.15 H new ATOM 0 HA3 GLY 5 12 33.701 2.735 8.259 1.00 13.15 H new ATOM 187 N PRO 5 13 34.467 0.404 9.631 1.00 14.49 N ATOM 188 CA PRO 5 13 34.502 -0.570 10.768 1.00 13.95 C ATOM 189 C PRO 5 13 33.635 -0.136 11.964 1.00 13.29 C ATOM 190 O PRO 5 13 32.912 -0.939 12.530 1.00 14.10 O ATOM 191 CB PRO 5 13 35.983 -0.648 11.173 1.00 13.23 C ATOM 192 CG PRO 5 13 36.684 0.479 10.478 1.00 14.60 C ATOM 193 CD PRO 5 13 35.801 0.938 9.321 1.00 13.98 C ATOM 0 HA PRO 5 13 34.091 -1.532 10.461 1.00 13.95 H new ATOM 0 HB2 PRO 5 13 36.093 -0.563 12.254 1.00 13.23 H new ATOM 0 HB3 PRO 5 13 36.413 -1.607 10.884 1.00 13.23 H new ATOM 0 HG2 PRO 5 13 36.864 1.301 11.170 1.00 14.60 H new ATOM 0 HG3 PRO 5 13 37.657 0.154 10.110 1.00 14.60 H new ATOM 0 HD2 PRO 5 13 35.784 2.025 9.244 1.00 13.98 H new ATOM 0 HD3 PRO 5 13 36.168 0.557 8.368 1.00 13.98 H new ATOM 201 N CYS 5 14 33.676 1.117 12.337 1.00 12.13 N ATOM 202 CA CYS 5 14 32.840 1.589 13.493 1.00 13.10 C ATOM 203 C CYS 5 14 31.349 1.395 13.183 1.00 14.28 C ATOM 204 O CYS 5 14 30.964 1.207 12.047 1.00 14.31 O ATOM 205 CB CYS 5 14 33.116 3.074 13.752 1.00 11.97 C ATOM 206 SG CYS 5 14 34.886 3.320 14.036 1.00 12.63 S ATOM 0 H CYS 5 14 34.249 1.836 11.895 1.00 12.13 H new ATOM 0 HA CYS 5 14 33.099 1.006 14.377 1.00 13.10 H new ATOM 0 HB2 CYS 5 14 32.788 3.670 12.900 1.00 11.97 H new ATOM 0 HB3 CYS 5 14 32.547 3.415 14.617 1.00 11.97 H new ATOM 211 N LYS 5 15 30.504 1.433 14.177 1.00 15.59 N ATOM 212 CA LYS 5 15 29.043 1.244 13.921 1.00 16.40 C ATOM 213 C LYS 5 15 28.226 2.237 14.758 1.00 14.53 C ATOM 214 O LYS 5 15 27.344 1.860 15.500 1.00 16.12 O ATOM 215 CB LYS 5 15 28.641 -0.196 14.277 1.00 20.41 C ATOM 216 CG LYS 5 15 29.423 -1.188 13.405 1.00 23.07 C ATOM 217 CD LYS 5 15 28.906 -1.126 11.961 1.00 26.62 C ATOM 218 CE LYS 5 15 29.965 -1.689 11.009 1.00 30.12 C ATOM 219 NZ LYS 5 15 31.184 -0.833 11.083 1.00 33.66 N ATOM 0 H LYS 5 15 30.758 1.586 15.153 1.00 15.59 H new ATOM 0 HA LYS 5 15 28.839 1.426 12.866 1.00 16.40 H new ATOM 0 HB2 LYS 5 15 28.841 -0.389 15.331 1.00 20.41 H new ATOM 0 HB3 LYS 5 15 27.570 -0.332 14.126 1.00 20.41 H new ATOM 0 HG2 LYS 5 15 30.486 -0.950 13.431 1.00 23.07 H new ATOM 0 HG3 LYS 5 15 29.312 -2.199 13.798 1.00 23.07 H new ATOM 0 HD2 LYS 5 15 27.982 -1.697 11.871 1.00 26.62 H new ATOM 0 HD3 LYS 5 15 28.672 -0.096 11.692 1.00 26.62 H new ATOM 0 HE2 LYS 5 15 30.208 -2.716 11.281 1.00 30.12 H new ATOM 0 HE3 LYS 5 15 29.581 -1.711 9.989 1.00 30.12 H new ATOM 0 HZ1 LYS 5 15 31.601 -0.739 10.135 1.00 33.66 H new ATOM 0 HZ2 LYS 5 15 30.926 0.108 11.442 1.00 33.66 H new ATOM 0 HZ3 LYS 5 15 31.877 -1.270 11.724 1.00 33.66 H new ATOM 233 N ALA 5 16 28.506 3.506 14.628 1.00 12.01 N ATOM 234 CA ALA 5 16 27.737 4.526 15.394 1.00 12.90 C ATOM 235 C ALA 5 16 26.500 4.928 14.577 1.00 12.51 C ATOM 236 O ALA 5 16 26.555 5.025 13.367 1.00 13.19 O ATOM 237 CB ALA 5 16 28.632 5.741 15.640 1.00 11.07 C ATOM 0 H ALA 5 16 29.236 3.880 14.022 1.00 12.01 H new ATOM 0 HA ALA 5 16 27.416 4.123 16.354 1.00 12.90 H new ATOM 0 HB1 ALA 5 16 28.078 6.494 16.200 1.00 11.07 H new ATOM 0 HB2 ALA 5 16 29.509 5.437 16.211 1.00 11.07 H new ATOM 0 HB3 ALA 5 16 28.948 6.160 14.684 1.00 11.07 H new ATOM 243 N ARG 5 17 25.380 5.131 15.222 1.00 12.27 N ATOM 244 CA ARG 5 17 24.133 5.506 14.475 1.00 13.57 C ATOM 245 C ARG 5 17 24.322 6.856 13.754 1.00 11.67 C ATOM 246 O ARG 5 17 23.566 7.789 13.955 1.00 13.64 O ATOM 247 CB ARG 5 17 22.955 5.613 15.460 1.00 15.95 C ATOM 248 CG ARG 5 17 22.185 4.284 15.514 1.00 21.32 C ATOM 249 CD ARG 5 17 22.819 3.368 16.561 1.00 25.64 C ATOM 250 NE ARG 5 17 22.616 1.928 16.171 1.00 32.90 N ATOM 251 CZ ARG 5 17 21.437 1.423 15.966 1.00 35.77 C ATOM 252 NH1 ARG 5 17 20.372 2.102 16.229 1.00 36.81 N ATOM 253 NH2 ARG 5 17 21.331 0.211 15.533 1.00 36.79 N ATOM 0 H ARG 5 17 25.271 5.054 16.233 1.00 12.27 H new ATOM 0 HA ARG 5 17 23.925 4.736 13.733 1.00 13.57 H new ATOM 0 HB2 ARG 5 17 23.324 5.868 16.453 1.00 15.95 H new ATOM 0 HB3 ARG 5 17 22.286 6.417 15.152 1.00 15.95 H new ATOM 0 HG2 ARG 5 17 21.139 4.467 15.761 1.00 21.32 H new ATOM 0 HG3 ARG 5 17 22.201 3.802 14.536 1.00 21.32 H new ATOM 0 HD2 ARG 5 17 23.884 3.584 16.649 1.00 25.64 H new ATOM 0 HD3 ARG 5 17 22.374 3.556 17.538 1.00 25.64 H new ATOM 0 HE ARG 5 17 23.434 1.328 16.064 1.00 32.90 H new ATOM 0 HH11 ARG 5 17 20.450 3.048 16.603 1.00 36.81 H new ATOM 0 HH12 ARG 5 17 19.452 1.693 16.063 1.00 36.81 H new ATOM 0 HH21 ARG 5 17 22.169 -0.342 15.355 1.00 36.79 H new ATOM 0 HH22 ARG 5 17 20.409 -0.193 15.369 1.00 36.79 H new ATOM 267 N ILE 5 18 25.315 6.970 12.914 1.00 10.78 N ATOM 268 CA ILE 5 18 25.515 8.252 12.194 1.00 10.61 C ATOM 269 C ILE 5 18 24.893 8.155 10.803 1.00 10.94 C ATOM 270 O ILE 5 18 25.550 7.834 9.826 1.00 10.62 O ATOM 271 CB ILE 5 18 27.009 8.591 12.081 1.00 11.97 C ATOM 272 CG1 ILE 5 18 27.615 8.752 13.485 1.00 13.12 C ATOM 273 CG2 ILE 5 18 27.172 9.901 11.302 1.00 10.95 C ATOM 274 CD1 ILE 5 18 29.003 9.390 13.389 1.00 13.42 C ATOM 0 H ILE 5 18 25.989 6.235 12.699 1.00 10.78 H new ATOM 0 HA ILE 5 18 25.030 9.049 12.757 1.00 10.61 H new ATOM 0 HB ILE 5 18 27.524 7.785 11.559 1.00 11.97 H new ATOM 0 HG12 ILE 5 18 26.964 9.371 14.102 1.00 13.12 H new ATOM 0 HG13 ILE 5 18 27.686 7.780 13.973 1.00 13.12 H new ATOM 0 HG21 ILE 5 18 28.231 10.146 11.219 1.00 10.95 H new ATOM 0 HG22 ILE 5 18 26.747 9.787 10.305 1.00 10.95 H new ATOM 0 HG23 ILE 5 18 26.654 10.704 11.827 1.00 10.95 H new ATOM 0 HD11 ILE 5 18 29.423 9.499 14.389 1.00 13.42 H new ATOM 0 HD12 ILE 5 18 29.655 8.755 12.789 1.00 13.42 H new ATOM 0 HD13 ILE 5 18 28.921 10.371 12.921 1.00 13.42 H new ATOM 286 N ILE 5 19 23.622 8.437 10.716 1.00 10.63 N ATOM 287 CA ILE 5 19 22.923 8.379 9.395 1.00 11.65 C ATOM 288 C ILE 5 19 23.324 9.610 8.571 1.00 10.38 C ATOM 289 O ILE 5 19 23.292 10.727 9.056 1.00 12.22 O ATOM 290 CB ILE 5 19 21.393 8.362 9.590 1.00 13.30 C ATOM 291 CG1 ILE 5 19 21.025 7.813 10.983 1.00 15.24 C ATOM 292 CG2 ILE 5 19 20.765 7.470 8.517 1.00 13.64 C ATOM 293 CD1 ILE 5 19 21.352 6.320 11.060 1.00 16.83 C ATOM 0 H ILE 5 19 23.033 8.706 11.504 1.00 10.63 H new ATOM 0 HA ILE 5 19 23.213 7.466 8.875 1.00 11.65 H new ATOM 0 HB ILE 5 19 21.016 9.381 9.507 1.00 13.30 H new ATOM 0 HG12 ILE 5 19 21.575 8.354 11.753 1.00 15.24 H new ATOM 0 HG13 ILE 5 19 19.964 7.972 11.177 1.00 15.24 H new ATOM 0 HG21 ILE 5 19 19.683 7.452 8.647 1.00 13.64 H new ATOM 0 HG22 ILE 5 19 21.005 7.864 7.530 1.00 13.64 H new ATOM 0 HG23 ILE 5 19 21.159 6.458 8.609 1.00 13.64 H new ATOM 0 HD11 ILE 5 19 21.089 5.940 12.047 1.00 16.83 H new ATOM 0 HD12 ILE 5 19 20.783 5.783 10.301 1.00 16.83 H new ATOM 0 HD13 ILE 5 19 22.418 6.172 10.886 1.00 16.83 H new ATOM 305 N ARG 5 20 23.712 9.413 7.337 1.00 10.55 N ATOM 306 CA ARG 5 20 24.134 10.571 6.481 1.00 10.78 C ATOM 307 C ARG 5 20 23.632 10.370 5.038 1.00 9.27 C ATOM 308 O ARG 5 20 22.873 9.457 4.751 1.00 10.69 O ATOM 309 CB ARG 5 20 25.672 10.677 6.478 1.00 9.44 C ATOM 310 CG ARG 5 20 26.207 10.890 7.904 1.00 10.78 C ATOM 311 CD ARG 5 20 26.561 12.363 8.125 1.00 12.14 C ATOM 312 NE ARG 5 20 27.549 12.781 7.081 1.00 13.47 N ATOM 313 CZ ARG 5 20 27.913 14.020 6.956 1.00 14.63 C ATOM 314 NH1 ARG 5 20 27.434 14.926 7.746 1.00 15.39 N ATOM 315 NH2 ARG 5 20 28.758 14.345 6.028 1.00 14.38 N ATOM 0 H ARG 5 20 23.756 8.501 6.882 1.00 10.55 H new ATOM 0 HA ARG 5 20 23.704 11.487 6.886 1.00 10.78 H new ATOM 0 HB2 ARG 5 20 26.103 9.770 6.055 1.00 9.44 H new ATOM 0 HB3 ARG 5 20 25.983 11.505 5.841 1.00 9.44 H new ATOM 0 HG2 ARG 5 20 25.458 10.576 8.631 1.00 10.78 H new ATOM 0 HG3 ARG 5 20 27.088 10.269 8.066 1.00 10.78 H new ATOM 0 HD2 ARG 5 20 25.664 12.980 8.065 1.00 12.14 H new ATOM 0 HD3 ARG 5 20 26.981 12.506 9.121 1.00 12.14 H new ATOM 0 HE ARG 5 20 27.944 12.078 6.456 1.00 13.47 H new ATOM 0 HH11 ARG 5 20 26.766 14.668 8.472 1.00 15.39 H new ATOM 0 HH12 ARG 5 20 27.724 15.898 7.642 1.00 15.39 H new ATOM 0 HH21 ARG 5 20 29.131 13.629 5.404 1.00 14.38 H new ATOM 0 HH22 ARG 5 20 29.050 15.316 5.922 1.00 14.38 H new ATOM 329 N TYR 5 21 24.048 11.225 4.134 1.00 9.20 N ATOM 330 CA TYR 5 21 23.605 11.111 2.710 1.00 8.22 C ATOM 331 C TYR 5 21 24.811 10.820 1.807 1.00 8.71 C ATOM 332 O TYR 5 21 25.904 11.300 2.047 1.00 8.47 O ATOM 333 CB TYR 5 21 22.967 12.440 2.285 1.00 9.14 C ATOM 334 CG TYR 5 21 21.740 12.718 3.122 1.00 10.30 C ATOM 335 CD1 TYR 5 21 21.875 13.089 4.463 1.00 10.02 C ATOM 336 CD2 TYR 5 21 20.471 12.618 2.552 1.00 10.29 C ATOM 337 CE1 TYR 5 21 20.740 13.358 5.229 1.00 11.24 C ATOM 338 CE2 TYR 5 21 19.340 12.886 3.321 1.00 11.46 C ATOM 339 CZ TYR 5 21 19.475 13.256 4.657 1.00 12.26 C ATOM 340 OH TYR 5 21 18.358 13.519 5.408 1.00 13.81 O ATOM 0 H TYR 5 21 24.680 12.002 4.324 1.00 9.20 H new ATOM 0 HA TYR 5 21 22.885 10.298 2.616 1.00 8.22 H new ATOM 0 HB2 TYR 5 21 23.686 13.251 2.400 1.00 9.14 H new ATOM 0 HB3 TYR 5 21 22.696 12.401 1.230 1.00 9.14 H new ATOM 0 HD1 TYR 5 21 22.857 13.167 4.906 1.00 10.02 H new ATOM 0 HD2 TYR 5 21 20.365 12.333 1.516 1.00 10.29 H new ATOM 0 HE1 TYR 5 21 20.843 13.645 6.265 1.00 11.24 H new ATOM 0 HE2 TYR 5 21 18.357 12.807 2.880 1.00 11.46 H new ATOM 0 HH TYR 5 21 17.557 13.402 4.855 1.00 13.81 H new ATOM 350 N PHE 5 22 24.621 10.057 0.757 1.00 7.43 N ATOM 351 CA PHE 5 22 25.764 9.755 -0.169 1.00 6.76 C ATOM 352 C PHE 5 22 25.296 9.823 -1.630 1.00 7.20 C ATOM 353 O PHE 5 22 24.140 10.098 -1.921 1.00 7.41 O ATOM 354 CB PHE 5 22 26.324 8.357 0.137 1.00 6.59 C ATOM 355 CG PHE 5 22 25.516 7.300 -0.581 1.00 7.76 C ATOM 356 CD1 PHE 5 22 24.250 6.945 -0.104 1.00 8.78 C ATOM 357 CD2 PHE 5 22 26.034 6.678 -1.725 1.00 8.47 C ATOM 358 CE1 PHE 5 22 23.498 5.967 -0.770 1.00 9.59 C ATOM 359 CE2 PHE 5 22 25.283 5.700 -2.393 1.00 9.15 C ATOM 360 CZ PHE 5 22 24.015 5.344 -1.915 1.00 9.79 C ATOM 0 H PHE 5 22 23.730 9.632 0.500 1.00 7.43 H new ATOM 0 HA PHE 5 22 26.548 10.497 -0.017 1.00 6.76 H new ATOM 0 HB2 PHE 5 22 27.367 8.300 -0.173 1.00 6.59 H new ATOM 0 HB3 PHE 5 22 26.300 8.175 1.211 1.00 6.59 H new ATOM 0 HD1 PHE 5 22 23.852 7.425 0.778 1.00 8.78 H new ATOM 0 HD2 PHE 5 22 27.012 6.952 -2.092 1.00 8.47 H new ATOM 0 HE1 PHE 5 22 22.520 5.693 -0.401 1.00 9.59 H new ATOM 0 HE2 PHE 5 22 25.682 5.222 -3.275 1.00 9.15 H new ATOM 0 HZ PHE 5 22 23.436 4.590 -2.428 1.00 9.79 H new ATOM 370 N TYR 5 23 26.194 9.582 -2.550 1.00 8.20 N ATOM 371 CA TYR 5 23 25.837 9.633 -4.003 1.00 7.28 C ATOM 372 C TYR 5 23 25.759 8.205 -4.572 1.00 7.57 C ATOM 373 O TYR 5 23 26.751 7.495 -4.624 1.00 8.16 O ATOM 374 CB TYR 5 23 26.923 10.424 -4.736 1.00 9.85 C ATOM 375 CG TYR 5 23 26.703 10.344 -6.225 1.00 9.96 C ATOM 376 CD1 TYR 5 23 25.589 10.958 -6.800 1.00 11.33 C ATOM 377 CD2 TYR 5 23 27.614 9.656 -7.027 1.00 10.97 C ATOM 378 CE1 TYR 5 23 25.388 10.882 -8.180 1.00 11.73 C ATOM 379 CE2 TYR 5 23 27.414 9.583 -8.404 1.00 11.27 C ATOM 380 CZ TYR 5 23 26.301 10.196 -8.980 1.00 11.91 C ATOM 381 OH TYR 5 23 26.107 10.128 -10.344 1.00 14.10 O ATOM 0 H TYR 5 23 27.168 9.350 -2.357 1.00 8.20 H new ATOM 0 HA TYR 5 23 24.868 10.114 -4.135 1.00 7.28 H new ATOM 0 HB2 TYR 5 23 26.907 11.465 -4.413 1.00 9.85 H new ATOM 0 HB3 TYR 5 23 27.906 10.027 -4.484 1.00 9.85 H new ATOM 0 HD1 TYR 5 23 24.884 11.491 -6.179 1.00 11.33 H new ATOM 0 HD2 TYR 5 23 28.474 9.180 -6.580 1.00 10.97 H new ATOM 0 HE1 TYR 5 23 24.526 11.354 -8.627 1.00 11.73 H new ATOM 0 HE2 TYR 5 23 28.120 9.052 -9.025 1.00 11.27 H new ATOM 0 HH TYR 5 23 25.291 10.615 -10.583 1.00 14.10 H new ATOM 391 N ASN 5 24 24.591 7.787 -5.015 1.00 7.53 N ATOM 392 CA ASN 5 24 24.435 6.408 -5.588 1.00 8.25 C ATOM 393 C ASN 5 24 24.784 6.412 -7.089 1.00 9.26 C ATOM 394 O ASN 5 24 23.921 6.549 -7.950 1.00 9.06 O ATOM 395 CB ASN 5 24 22.984 5.939 -5.387 1.00 9.60 C ATOM 396 CG ASN 5 24 22.835 4.483 -5.830 1.00 10.11 C ATOM 397 OD1 ASN 5 24 23.684 3.951 -6.522 1.00 13.10 O ATOM 398 ND2 ASN 5 24 21.786 3.811 -5.455 1.00 12.51 N ATOM 0 H ASN 5 24 23.737 8.345 -5.003 1.00 7.53 H new ATOM 0 HA ASN 5 24 25.114 5.726 -5.077 1.00 8.25 H new ATOM 0 HB2 ASN 5 24 22.704 6.038 -4.338 1.00 9.60 H new ATOM 0 HB3 ASN 5 24 22.306 6.572 -5.960 1.00 9.60 H new ATOM 0 HD21 ASN 5 24 21.675 2.838 -5.741 1.00 12.51 H new ATOM 0 HD22 ASN 5 24 21.075 4.257 -4.875 1.00 12.51 H new ATOM 405 N ALA 5 25 26.045 6.250 -7.411 1.00 10.90 N ATOM 406 CA ALA 5 25 26.463 6.239 -8.846 1.00 12.18 C ATOM 407 C ALA 5 25 25.893 5.009 -9.571 1.00 11.03 C ATOM 408 O ALA 5 25 25.908 4.942 -10.782 1.00 12.22 O ATOM 409 CB ALA 5 25 27.994 6.204 -8.927 1.00 11.38 C ATOM 0 H ALA 5 25 26.803 6.125 -6.740 1.00 10.90 H new ATOM 0 HA ALA 5 25 26.079 7.139 -9.327 1.00 12.18 H new ATOM 0 HB1 ALA 5 25 28.303 6.196 -9.972 1.00 11.38 H new ATOM 0 HB2 ALA 5 25 28.405 7.085 -8.434 1.00 11.38 H new ATOM 0 HB3 ALA 5 25 28.364 5.306 -8.432 1.00 11.38 H new ATOM 415 N LYS 5 26 25.394 4.039 -8.850 1.00 10.74 N ATOM 416 CA LYS 5 26 24.841 2.823 -9.523 1.00 13.89 C ATOM 417 C LYS 5 26 23.558 3.176 -10.286 1.00 13.64 C ATOM 418 O LYS 5 26 23.147 2.455 -11.174 1.00 15.07 O ATOM 419 CB LYS 5 26 24.536 1.747 -8.475 1.00 18.92 C ATOM 420 CG LYS 5 26 24.886 0.366 -9.045 1.00 23.44 C ATOM 421 CD LYS 5 26 23.624 -0.289 -9.628 1.00 28.41 C ATOM 422 CE LYS 5 26 23.949 -1.706 -10.110 1.00 33.13 C ATOM 423 NZ LYS 5 26 22.840 -2.194 -10.981 1.00 36.26 N ATOM 0 H LYS 5 26 25.345 4.034 -7.831 1.00 10.74 H new ATOM 0 HA LYS 5 26 25.580 2.444 -10.229 1.00 13.89 H new ATOM 0 HB2 LYS 5 26 25.110 1.934 -7.568 1.00 18.92 H new ATOM 0 HB3 LYS 5 26 23.482 1.782 -8.198 1.00 18.92 H new ATOM 0 HG2 LYS 5 26 25.647 0.464 -9.819 1.00 23.44 H new ATOM 0 HG3 LYS 5 26 25.306 -0.265 -8.262 1.00 23.44 H new ATOM 0 HD2 LYS 5 26 22.839 -0.323 -8.872 1.00 28.41 H new ATOM 0 HD3 LYS 5 26 23.243 0.308 -10.456 1.00 28.41 H new ATOM 0 HE2 LYS 5 26 24.889 -1.709 -10.662 1.00 33.13 H new ATOM 0 HE3 LYS 5 26 24.078 -2.373 -9.257 1.00 33.13 H new ATOM 0 HZ1 LYS 5 26 23.056 -3.156 -11.311 1.00 36.26 H new ATOM 0 HZ2 LYS 5 26 21.952 -2.205 -10.439 1.00 36.26 H new ATOM 0 HZ3 LYS 5 26 22.738 -1.562 -11.800 1.00 36.26 H new ATOM 437 N ALA 5 27 22.920 4.265 -9.933 1.00 13.18 N ATOM 438 CA ALA 5 27 21.666 4.667 -10.653 1.00 11.76 C ATOM 439 C ALA 5 27 21.787 6.125 -11.132 1.00 10.74 C ATOM 440 O ALA 5 27 21.066 6.554 -12.009 1.00 11.30 O ATOM 441 CB ALA 5 27 20.443 4.523 -9.743 1.00 12.78 C ATOM 0 H ALA 5 27 23.209 4.892 -9.182 1.00 13.18 H new ATOM 0 HA ALA 5 27 21.536 4.008 -11.512 1.00 11.76 H new ATOM 0 HB1 ALA 5 27 19.547 4.820 -10.288 1.00 12.78 H new ATOM 0 HB2 ALA 5 27 20.346 3.485 -9.425 1.00 12.78 H new ATOM 0 HB3 ALA 5 27 20.564 5.161 -8.868 1.00 12.78 H new ATOM 447 N GLY 5 28 22.710 6.878 -10.587 1.00 9.60 N ATOM 448 CA GLY 5 28 22.891 8.299 -11.038 1.00 10.58 C ATOM 449 C GLY 5 28 22.046 9.239 -10.180 1.00 11.69 C ATOM 450 O GLY 5 28 21.547 10.239 -10.651 1.00 12.66 O ATOM 0 H GLY 5 28 23.347 6.574 -9.850 1.00 9.60 H new ATOM 0 HA2 GLY 5 28 23.942 8.579 -10.969 1.00 10.58 H new ATOM 0 HA3 GLY 5 28 22.604 8.395 -12.085 1.00 10.58 H new ATOM 454 N LEU 5 29 21.893 8.936 -8.919 1.00 11.42 N ATOM 455 CA LEU 5 29 21.078 9.821 -8.031 1.00 13.44 C ATOM 456 C LEU 5 29 21.582 9.705 -6.588 1.00 10.49 C ATOM 457 O LEU 5 29 22.108 8.684 -6.183 1.00 11.18 O ATOM 458 CB LEU 5 29 19.614 9.367 -8.112 1.00 15.84 C ATOM 459 CG LEU 5 29 18.681 10.584 -8.108 1.00 17.24 C ATOM 460 CD1 LEU 5 29 18.678 11.238 -9.489 1.00 18.29 C ATOM 461 CD2 LEU 5 29 17.261 10.132 -7.760 1.00 18.39 C ATOM 0 H LEU 5 29 22.295 8.116 -8.464 1.00 11.42 H new ATOM 0 HA LEU 5 29 21.164 10.860 -8.349 1.00 13.44 H new ATOM 0 HB2 LEU 5 29 19.457 8.782 -9.018 1.00 15.84 H new ATOM 0 HB3 LEU 5 29 19.380 8.717 -7.269 1.00 15.84 H new ATOM 0 HG LEU 5 29 19.031 11.304 -7.368 1.00 17.24 H new ATOM 0 HD11 LEU 5 29 18.014 12.102 -9.481 1.00 18.29 H new ATOM 0 HD12 LEU 5 29 19.688 11.559 -9.742 1.00 18.29 H new ATOM 0 HD13 LEU 5 29 18.330 10.520 -10.231 1.00 18.29 H new ATOM 0 HD21 LEU 5 29 16.595 10.995 -7.756 1.00 18.39 H new ATOM 0 HD22 LEU 5 29 16.917 9.411 -8.502 1.00 18.39 H new ATOM 0 HD23 LEU 5 29 17.258 9.668 -6.774 1.00 18.39 H new ATOM 473 N CYS 5 30 21.419 10.730 -5.797 1.00 10.45 N ATOM 474 CA CYS 5 30 21.887 10.650 -4.378 1.00 10.30 C ATOM 475 C CYS 5 30 20.914 9.803 -3.552 1.00 10.76 C ATOM 476 O CYS 5 30 19.776 9.601 -3.925 1.00 12.39 O ATOM 477 CB CYS 5 30 21.977 12.055 -3.781 1.00 10.60 C ATOM 478 SG CYS 5 30 23.295 12.978 -4.614 1.00 11.79 S ATOM 0 H CYS 5 30 20.986 11.614 -6.066 1.00 10.45 H new ATOM 0 HA CYS 5 30 22.873 10.185 -4.357 1.00 10.30 H new ATOM 0 HB2 CYS 5 30 21.025 12.573 -3.897 1.00 10.60 H new ATOM 0 HB3 CYS 5 30 22.179 11.996 -2.712 1.00 10.60 H new ATOM 483 N GLN 5 31 21.356 9.310 -2.428 1.00 8.79 N ATOM 484 CA GLN 5 31 20.464 8.476 -1.564 1.00 10.62 C ATOM 485 C GLN 5 31 20.962 8.543 -0.117 1.00 10.68 C ATOM 486 O GLN 5 31 22.042 9.036 0.158 1.00 10.44 O ATOM 487 CB GLN 5 31 20.486 7.019 -2.049 1.00 11.67 C ATOM 488 CG GLN 5 31 19.225 6.720 -2.877 1.00 13.65 C ATOM 489 CD GLN 5 31 19.606 5.915 -4.124 1.00 14.34 C ATOM 490 OE1 GLN 5 31 19.952 4.756 -4.035 1.00 15.59 O ATOM 491 NE2 GLN 5 31 19.557 6.480 -5.294 1.00 18.68 N ATOM 0 H GLN 5 31 22.300 9.448 -2.067 1.00 8.79 H new ATOM 0 HA GLN 5 31 19.444 8.855 -1.620 1.00 10.62 H new ATOM 0 HB2 GLN 5 31 21.377 6.841 -2.651 1.00 11.67 H new ATOM 0 HB3 GLN 5 31 20.539 6.344 -1.195 1.00 11.67 H new ATOM 0 HG2 GLN 5 31 18.508 6.161 -2.276 1.00 13.65 H new ATOM 0 HG3 GLN 5 31 18.740 7.652 -3.168 1.00 13.65 H new ATOM 0 HE21 GLN 5 31 19.267 7.454 -5.378 1.00 18.68 H new ATOM 0 HE22 GLN 5 31 19.808 5.949 -6.128 1.00 18.68 H new ATOM 500 N THR 5 32 20.194 8.042 0.806 1.00 11.66 N ATOM 501 CA THR 5 32 20.620 8.066 2.242 1.00 11.14 C ATOM 502 C THR 5 32 21.417 6.792 2.569 1.00 10.29 C ATOM 503 O THR 5 32 21.354 5.809 1.856 1.00 11.74 O ATOM 504 CB THR 5 32 19.372 8.125 3.131 1.00 11.90 C ATOM 505 OG1 THR 5 32 18.533 7.026 2.819 1.00 14.39 O ATOM 506 CG2 THR 5 32 18.606 9.429 2.879 1.00 13.60 C ATOM 0 H THR 5 32 19.285 7.614 0.633 1.00 11.66 H new ATOM 0 HA THR 5 32 21.248 8.939 2.422 1.00 11.14 H new ATOM 0 HB THR 5 32 19.673 8.085 4.178 1.00 11.90 H new ATOM 0 HG1 THR 5 32 17.733 7.055 3.384 1.00 14.39 H new ATOM 0 HG21 THR 5 32 17.722 9.460 3.515 1.00 13.60 H new ATOM 0 HG22 THR 5 32 19.249 10.279 3.109 1.00 13.60 H new ATOM 0 HG23 THR 5 32 18.302 9.476 1.833 1.00 13.60 H new ATOM 514 N PHE 5 33 22.166 6.800 3.644 1.00 9.22 N ATOM 515 CA PHE 5 33 22.961 5.583 4.011 1.00 9.74 C ATOM 516 C PHE 5 33 23.391 5.653 5.486 1.00 9.40 C ATOM 517 O PHE 5 33 23.041 6.576 6.199 1.00 10.22 O ATOM 518 CB PHE 5 33 24.186 5.465 3.083 1.00 9.26 C ATOM 519 CG PHE 5 33 25.351 6.284 3.599 1.00 9.20 C ATOM 520 CD1 PHE 5 33 25.307 7.681 3.550 1.00 10.04 C ATOM 521 CD2 PHE 5 33 26.483 5.640 4.104 1.00 10.68 C ATOM 522 CE1 PHE 5 33 26.393 8.431 4.011 1.00 10.37 C ATOM 523 CE2 PHE 5 33 27.568 6.390 4.561 1.00 8.91 C ATOM 524 CZ PHE 5 33 27.524 7.785 4.516 1.00 9.71 C ATOM 0 H PHE 5 33 22.262 7.591 4.281 1.00 9.22 H new ATOM 0 HA PHE 5 33 22.342 4.695 3.883 1.00 9.74 H new ATOM 0 HB2 PHE 5 33 24.483 4.419 3.001 1.00 9.26 H new ATOM 0 HB3 PHE 5 33 23.919 5.801 2.081 1.00 9.26 H new ATOM 0 HD1 PHE 5 33 24.434 8.180 3.156 1.00 10.04 H new ATOM 0 HD2 PHE 5 33 26.519 4.561 4.141 1.00 10.68 H new ATOM 0 HE1 PHE 5 33 26.358 9.510 3.977 1.00 10.37 H new ATOM 0 HE2 PHE 5 33 28.443 5.891 4.950 1.00 8.91 H new ATOM 0 HZ PHE 5 33 28.364 8.364 4.871 1.00 9.71 H new ATOM 534 N VAL 5 34 24.120 4.668 5.954 1.00 11.69 N ATOM 535 CA VAL 5 34 24.555 4.660 7.383 1.00 11.33 C ATOM 536 C VAL 5 34 26.093 4.712 7.473 1.00 10.54 C ATOM 537 O VAL 5 34 26.792 3.883 6.900 1.00 11.75 O ATOM 538 CB VAL 5 34 24.036 3.381 8.055 1.00 13.85 C ATOM 539 CG1 VAL 5 34 24.660 3.234 9.442 1.00 15.43 C ATOM 540 CG2 VAL 5 34 22.511 3.450 8.199 1.00 14.03 C ATOM 0 H VAL 5 34 24.432 3.868 5.404 1.00 11.69 H new ATOM 0 HA VAL 5 34 24.149 5.535 7.891 1.00 11.33 H new ATOM 0 HB VAL 5 34 24.308 2.525 7.438 1.00 13.85 H new ATOM 0 HG11 VAL 5 34 24.288 2.325 9.914 1.00 15.43 H new ATOM 0 HG12 VAL 5 34 25.745 3.177 9.349 1.00 15.43 H new ATOM 0 HG13 VAL 5 34 24.393 4.096 10.054 1.00 15.43 H new ATOM 0 HG21 VAL 5 34 22.149 2.539 8.677 1.00 14.03 H new ATOM 0 HG22 VAL 5 34 22.242 4.312 8.810 1.00 14.03 H new ATOM 0 HG23 VAL 5 34 22.057 3.548 7.213 1.00 14.03 H new ATOM 550 N TYR 5 35 26.620 5.684 8.188 1.00 8.67 N ATOM 551 CA TYR 5 35 28.106 5.806 8.331 1.00 8.52 C ATOM 552 C TYR 5 35 28.546 5.259 9.695 1.00 9.39 C ATOM 553 O TYR 5 35 28.036 5.651 10.731 1.00 10.05 O ATOM 554 CB TYR 5 35 28.498 7.280 8.227 1.00 9.40 C ATOM 555 CG TYR 5 35 29.966 7.470 8.547 1.00 9.39 C ATOM 556 CD1 TYR 5 35 30.923 6.547 8.097 1.00 9.35 C ATOM 557 CD2 TYR 5 35 30.370 8.587 9.281 1.00 9.32 C ATOM 558 CE1 TYR 5 35 32.277 6.748 8.384 1.00 9.35 C ATOM 559 CE2 TYR 5 35 31.723 8.785 9.569 1.00 9.94 C ATOM 560 CZ TYR 5 35 32.676 7.868 9.121 1.00 10.13 C ATOM 561 OH TYR 5 35 34.009 8.074 9.408 1.00 11.76 O ATOM 0 H TYR 5 35 26.081 6.398 8.678 1.00 8.67 H new ATOM 0 HA TYR 5 35 28.594 5.234 7.542 1.00 8.52 H new ATOM 0 HB2 TYR 5 35 28.290 7.646 7.222 1.00 9.40 H new ATOM 0 HB3 TYR 5 35 27.892 7.871 8.913 1.00 9.40 H new ATOM 0 HD1 TYR 5 35 30.614 5.682 7.529 1.00 9.35 H new ATOM 0 HD2 TYR 5 35 29.635 9.299 9.627 1.00 9.32 H new ATOM 0 HE1 TYR 5 35 33.014 6.039 8.037 1.00 9.35 H new ATOM 0 HE2 TYR 5 35 32.032 9.649 10.139 1.00 9.94 H new ATOM 0 HH TYR 5 35 34.089 8.596 10.233 1.00 11.76 H new ATOM 571 N GLY 5 36 29.489 4.351 9.697 1.00 9.59 N ATOM 572 CA GLY 5 36 29.971 3.769 10.979 1.00 9.91 C ATOM 573 C GLY 5 36 30.519 4.873 11.884 1.00 9.25 C ATOM 574 O GLY 5 36 30.311 4.856 13.079 1.00 9.95 O ATOM 0 H GLY 5 36 29.946 3.988 8.860 1.00 9.59 H new ATOM 0 HA2 GLY 5 36 29.155 3.248 11.481 1.00 9.91 H new ATOM 0 HA3 GLY 5 36 30.748 3.030 10.783 1.00 9.91 H new ATOM 578 N GLY 5 37 31.210 5.833 11.327 1.00 8.45 N ATOM 579 CA GLY 5 37 31.764 6.935 12.164 1.00 10.39 C ATOM 580 C GLY 5 37 33.250 7.122 11.868 1.00 10.61 C ATOM 581 O GLY 5 37 33.778 8.212 11.977 1.00 13.37 O ATOM 0 H GLY 5 37 31.414 5.901 10.330 1.00 8.45 H new ATOM 0 HA2 GLY 5 37 31.226 7.861 11.962 1.00 10.39 H new ATOM 0 HA3 GLY 5 37 31.621 6.707 13.220 1.00 10.39 H new ATOM 585 N CYS 5 38 33.934 6.071 11.495 1.00 10.95 N ATOM 586 CA CYS 5 38 35.400 6.201 11.210 1.00 11.65 C ATOM 587 C CYS 5 38 35.762 5.664 9.817 1.00 12.05 C ATOM 588 O CYS 5 38 35.063 4.845 9.241 1.00 11.60 O ATOM 589 CB CYS 5 38 36.175 5.404 12.260 1.00 12.40 C ATOM 590 SG CYS 5 38 35.650 3.671 12.200 1.00 12.21 S ATOM 0 H CYS 5 38 33.548 5.135 11.375 1.00 10.95 H new ATOM 0 HA CYS 5 38 35.660 7.259 11.243 1.00 11.65 H new ATOM 0 HB2 CYS 5 38 37.246 5.479 12.073 1.00 12.40 H new ATOM 0 HB3 CYS 5 38 35.995 5.817 13.253 1.00 12.40 H new ATOM 595 N ARG 5 39 36.879 6.110 9.293 1.00 12.46 N ATOM 596 CA ARG 5 39 37.357 5.644 7.954 1.00 14.63 C ATOM 597 C ARG 5 39 36.309 5.926 6.872 1.00 12.13 C ATOM 598 O ARG 5 39 35.952 5.052 6.102 1.00 13.93 O ATOM 599 CB ARG 5 39 37.653 4.139 8.007 1.00 18.16 C ATOM 600 CG ARG 5 39 39.017 3.898 8.669 1.00 22.63 C ATOM 601 CD ARG 5 39 39.706 2.707 8.003 1.00 26.10 C ATOM 602 NE ARG 5 39 41.118 2.622 8.496 1.00 30.83 N ATOM 603 CZ ARG 5 39 41.833 1.559 8.281 1.00 32.34 C ATOM 604 NH1 ARG 5 39 41.339 0.564 7.622 1.00 33.57 N ATOM 605 NH2 ARG 5 39 43.047 1.497 8.724 1.00 33.18 N ATOM 0 H ARG 5 39 37.490 6.790 9.746 1.00 12.46 H new ATOM 0 HA ARG 5 39 38.267 6.189 7.703 1.00 14.63 H new ATOM 0 HB2 ARG 5 39 36.871 3.625 8.567 1.00 18.16 H new ATOM 0 HB3 ARG 5 39 37.649 3.723 6.999 1.00 18.16 H new ATOM 0 HG2 ARG 5 39 39.639 4.788 8.578 1.00 22.63 H new ATOM 0 HG3 ARG 5 39 38.887 3.707 9.734 1.00 22.63 H new ATOM 0 HD2 ARG 5 39 39.171 1.786 8.233 1.00 26.10 H new ATOM 0 HD3 ARG 5 39 39.692 2.822 6.919 1.00 26.10 H new ATOM 0 HE ARG 5 39 41.522 3.407 9.006 1.00 30.83 H new ATOM 0 HH11 ARG 5 39 40.384 0.611 7.268 1.00 33.57 H new ATOM 0 HH12 ARG 5 39 41.904 -0.269 7.456 1.00 33.57 H new ATOM 0 HH21 ARG 5 39 43.442 2.282 9.242 1.00 33.18 H new ATOM 0 HH22 ARG 5 39 43.609 0.663 8.556 1.00 33.18 H new ATOM 619 N ALA 5 40 35.826 7.133 6.790 1.00 11.13 N ATOM 620 CA ALA 5 40 34.811 7.463 5.744 1.00 12.22 C ATOM 621 C ALA 5 40 35.504 7.641 4.384 1.00 13.37 C ATOM 622 O ALA 5 40 36.691 7.397 4.245 1.00 14.12 O ATOM 623 CB ALA 5 40 34.099 8.763 6.128 1.00 11.96 C ATOM 0 H ALA 5 40 36.088 7.907 7.400 1.00 11.13 H new ATOM 0 HA ALA 5 40 34.086 6.652 5.672 1.00 12.22 H new ATOM 0 HB1 ALA 5 40 33.357 9.009 5.369 1.00 11.96 H new ATOM 0 HB2 ALA 5 40 33.604 8.636 7.091 1.00 11.96 H new ATOM 0 HB3 ALA 5 40 34.828 9.570 6.198 1.00 11.96 H new ATOM 629 N LYS 5 41 34.768 8.048 3.384 1.00 12.73 N ATOM 630 CA LYS 5 41 35.361 8.248 2.022 1.00 12.34 C ATOM 631 C LYS 5 41 34.842 9.567 1.419 1.00 11.42 C ATOM 632 O LYS 5 41 34.201 10.361 2.090 1.00 12.35 O ATOM 633 CB LYS 5 41 34.970 7.069 1.121 1.00 15.66 C ATOM 634 CG LYS 5 41 35.312 5.743 1.817 1.00 17.23 C ATOM 635 CD LYS 5 41 36.834 5.594 1.951 1.00 21.83 C ATOM 636 CE LYS 5 41 37.157 4.541 3.021 1.00 24.86 C ATOM 637 NZ LYS 5 41 37.371 5.212 4.341 1.00 26.80 N ATOM 0 H LYS 5 41 33.771 8.253 3.450 1.00 12.73 H new ATOM 0 HA LYS 5 41 36.447 8.298 2.099 1.00 12.34 H new ATOM 0 HB2 LYS 5 41 33.904 7.108 0.898 1.00 15.66 H new ATOM 0 HB3 LYS 5 41 35.497 7.137 0.169 1.00 15.66 H new ATOM 0 HG2 LYS 5 41 34.848 5.710 2.803 1.00 17.23 H new ATOM 0 HG3 LYS 5 41 34.906 4.908 1.246 1.00 17.23 H new ATOM 0 HD2 LYS 5 41 37.266 5.300 0.995 1.00 21.83 H new ATOM 0 HD3 LYS 5 41 37.281 6.551 2.222 1.00 21.83 H new ATOM 0 HE2 LYS 5 41 36.341 3.822 3.096 1.00 24.86 H new ATOM 0 HE3 LYS 5 41 38.049 3.982 2.737 1.00 24.86 H new ATOM 0 HZ1 LYS 5 41 38.353 5.066 4.649 1.00 26.80 H new ATOM 0 HZ2 LYS 5 41 37.185 6.231 4.247 1.00 26.80 H new ATOM 0 HZ3 LYS 5 41 36.723 4.806 5.046 1.00 26.80 H new ATOM 651 N ARG 5 42 35.106 9.813 0.156 1.00 9.56 N ATOM 652 CA ARG 5 42 34.620 11.080 -0.474 1.00 9.93 C ATOM 653 C ARG 5 42 33.109 10.981 -0.686 1.00 7.40 C ATOM 654 O ARG 5 42 32.380 11.926 -0.442 1.00 9.71 O ATOM 655 CB ARG 5 42 35.318 11.308 -1.820 1.00 10.35 C ATOM 656 CG ARG 5 42 36.820 11.543 -1.603 1.00 13.91 C ATOM 657 CD ARG 5 42 37.367 12.403 -2.746 1.00 15.78 C ATOM 658 NE ARG 5 42 38.835 12.624 -2.555 1.00 21.96 N ATOM 659 CZ ARG 5 42 39.564 13.097 -3.528 1.00 24.68 C ATOM 660 NH1 ARG 5 42 39.022 13.416 -4.663 1.00 26.22 N ATOM 661 NH2 ARG 5 42 40.837 13.262 -3.358 1.00 25.19 N ATOM 0 H ARG 5 42 35.633 9.195 -0.461 1.00 9.56 H new ATOM 0 HA ARG 5 42 34.849 11.920 0.182 1.00 9.93 H new ATOM 0 HB2 ARG 5 42 35.167 10.444 -2.468 1.00 10.35 H new ATOM 0 HB3 ARG 5 42 34.877 12.167 -2.326 1.00 10.35 H new ATOM 0 HG2 ARG 5 42 36.988 12.039 -0.647 1.00 13.91 H new ATOM 0 HG3 ARG 5 42 37.347 10.590 -1.565 1.00 13.91 H new ATOM 0 HD2 ARG 5 42 37.185 11.912 -3.702 1.00 15.78 H new ATOM 0 HD3 ARG 5 42 36.846 13.360 -2.775 1.00 15.78 H new ATOM 0 HE ARG 5 42 39.268 12.403 -1.658 1.00 21.96 H new ATOM 0 HH11 ARG 5 42 38.018 13.298 -4.800 1.00 26.22 H new ATOM 0 HH12 ARG 5 42 39.600 13.785 -5.418 1.00 26.22 H new ATOM 0 HH21 ARG 5 42 41.268 13.022 -2.465 1.00 25.19 H new ATOM 0 HH22 ARG 5 42 41.409 13.632 -4.117 1.00 25.19 H new ATOM 675 N ASN 5 43 32.634 9.831 -1.111 1.00 7.80 N ATOM 676 CA ASN 5 43 31.165 9.640 -1.310 1.00 7.75 C ATOM 677 C ASN 5 43 30.473 9.803 0.047 1.00 7.34 C ATOM 678 O ASN 5 43 29.899 8.874 0.596 1.00 7.64 O ATOM 679 CB ASN 5 43 30.904 8.230 -1.859 1.00 8.94 C ATOM 680 CG ASN 5 43 29.623 8.206 -2.684 1.00 8.97 C ATOM 681 OD1 ASN 5 43 28.695 8.954 -2.428 1.00 9.17 O ATOM 682 ND2 ASN 5 43 29.521 7.351 -3.664 1.00 10.14 N ATOM 0 H ASN 5 43 33.206 9.015 -1.329 1.00 7.80 H new ATOM 0 HA ASN 5 43 30.778 10.373 -2.018 1.00 7.75 H new ATOM 0 HB2 ASN 5 43 31.746 7.912 -2.474 1.00 8.94 H new ATOM 0 HB3 ASN 5 43 30.826 7.521 -1.035 1.00 8.94 H new ATOM 0 HD21 ASN 5 43 28.665 7.308 -4.216 1.00 10.14 H new ATOM 0 HD22 ASN 5 43 30.298 6.725 -3.878 1.00 10.14 H new ATOM 689 N ASN 5 44 30.555 10.979 0.604 1.00 7.27 N ATOM 690 CA ASN 5 44 29.935 11.244 1.941 1.00 8.28 C ATOM 691 C ASN 5 44 29.384 12.677 1.972 1.00 7.79 C ATOM 692 O ASN 5 44 30.057 13.616 1.583 1.00 9.89 O ATOM 693 CB ASN 5 44 31.006 11.087 3.033 1.00 9.05 C ATOM 694 CG ASN 5 44 30.346 11.015 4.413 1.00 10.15 C ATOM 695 OD1 ASN 5 44 29.744 11.972 4.862 1.00 11.10 O ATOM 696 ND2 ASN 5 44 30.443 9.921 5.116 1.00 10.18 N ATOM 0 H ASN 5 44 31.030 11.780 0.188 1.00 7.27 H new ATOM 0 HA ASN 5 44 29.123 10.538 2.116 1.00 8.28 H new ATOM 0 HB2 ASN 5 44 31.590 10.184 2.853 1.00 9.05 H new ATOM 0 HB3 ASN 5 44 31.699 11.927 2.997 1.00 9.05 H new ATOM 0 HD21 ASN 5 44 30.015 9.869 6.040 1.00 10.18 H new ATOM 0 HD22 ASN 5 44 30.947 9.117 4.742 1.00 10.18 H new ATOM 703 N PHE 5 45 28.167 12.846 2.428 1.00 7.78 N ATOM 704 CA PHE 5 45 27.559 14.208 2.490 1.00 9.51 C ATOM 705 C PHE 5 45 26.671 14.306 3.737 1.00 10.10 C ATOM 706 O PHE 5 45 26.508 13.342 4.469 1.00 9.63 O ATOM 707 CB PHE 5 45 26.731 14.448 1.220 1.00 11.02 C ATOM 708 CG PHE 5 45 27.659 14.457 0.031 1.00 10.38 C ATOM 709 CD1 PHE 5 45 28.413 15.599 -0.256 1.00 11.42 C ATOM 710 CD2 PHE 5 45 27.783 13.318 -0.771 1.00 11.42 C ATOM 711 CE1 PHE 5 45 29.290 15.603 -1.345 1.00 11.73 C ATOM 712 CE2 PHE 5 45 28.662 13.323 -1.858 1.00 10.82 C ATOM 713 CZ PHE 5 45 29.414 14.465 -2.144 1.00 11.68 C ATOM 0 H PHE 5 45 27.566 12.092 2.762 1.00 7.78 H new ATOM 0 HA PHE 5 45 28.339 14.967 2.551 1.00 9.51 H new ATOM 0 HB2 PHE 5 45 25.979 13.667 1.106 1.00 11.02 H new ATOM 0 HB3 PHE 5 45 26.198 15.396 1.290 1.00 11.02 H new ATOM 0 HD1 PHE 5 45 28.318 16.478 0.364 1.00 11.42 H new ATOM 0 HD2 PHE 5 45 27.200 12.436 -0.551 1.00 11.42 H new ATOM 0 HE1 PHE 5 45 29.871 16.486 -1.568 1.00 11.73 H new ATOM 0 HE2 PHE 5 45 28.760 12.443 -2.477 1.00 10.82 H new ATOM 0 HZ PHE 5 45 30.092 14.467 -2.984 1.00 11.68 H new ATOM 723 N LYS 5 46 26.111 15.461 4.003 1.00 13.15 N ATOM 724 CA LYS 5 46 25.248 15.604 5.215 1.00 15.31 C ATOM 725 C LYS 5 46 23.769 15.781 4.812 1.00 14.98 C ATOM 726 O LYS 5 46 22.885 15.561 5.618 1.00 16.56 O ATOM 727 CB LYS 5 46 25.729 16.809 6.052 1.00 17.44 C ATOM 728 CG LYS 5 46 25.017 18.085 5.603 1.00 19.58 C ATOM 729 CD LYS 5 46 25.622 19.302 6.318 1.00 22.85 C ATOM 730 CE LYS 5 46 26.687 19.957 5.436 1.00 24.99 C ATOM 731 NZ LYS 5 46 28.044 19.538 5.894 1.00 27.16 N ATOM 0 H LYS 5 46 26.213 16.304 3.438 1.00 13.15 H new ATOM 0 HA LYS 5 46 25.327 14.698 5.816 1.00 15.31 H new ATOM 0 HB2 LYS 5 46 25.533 16.628 7.109 1.00 17.44 H new ATOM 0 HB3 LYS 5 46 26.807 16.929 5.944 1.00 17.44 H new ATOM 0 HG2 LYS 5 46 25.111 18.203 4.523 1.00 19.58 H new ATOM 0 HG3 LYS 5 46 23.952 18.015 5.825 1.00 19.58 H new ATOM 0 HD2 LYS 5 46 24.838 20.023 6.551 1.00 22.85 H new ATOM 0 HD3 LYS 5 46 26.063 18.994 7.266 1.00 22.85 H new ATOM 0 HE2 LYS 5 46 26.539 19.669 4.395 1.00 24.99 H new ATOM 0 HE3 LYS 5 46 26.595 21.042 5.483 1.00 24.99 H new ATOM 0 HZ1 LYS 5 46 28.763 20.143 5.448 1.00 27.16 H new ATOM 0 HZ2 LYS 5 46 28.106 19.631 6.928 1.00 27.16 H new ATOM 0 HZ3 LYS 5 46 28.211 18.547 5.625 1.00 27.16 H new ATOM 745 N SER 5 47 23.492 16.171 3.589 1.00 15.47 N ATOM 746 CA SER 5 47 22.064 16.355 3.163 1.00 15.09 C ATOM 747 C SER 5 47 21.853 15.834 1.735 1.00 14.56 C ATOM 748 O SER 5 47 22.788 15.687 0.958 1.00 13.03 O ATOM 749 CB SER 5 47 21.707 17.847 3.203 1.00 15.63 C ATOM 750 OG SER 5 47 22.026 18.445 1.948 1.00 16.91 O ATOM 0 H SER 5 47 24.188 16.369 2.870 1.00 15.47 H new ATOM 0 HA SER 5 47 21.425 15.794 3.845 1.00 15.09 H new ATOM 0 HB2 SER 5 47 20.646 17.973 3.419 1.00 15.63 H new ATOM 0 HB3 SER 5 47 22.256 18.342 4.004 1.00 15.63 H new ATOM 0 HG SER 5 47 22.596 19.228 2.094 1.00 16.91 H new ATOM 756 N ALA 5 48 20.619 15.576 1.376 1.00 14.50 N ATOM 757 CA ALA 5 48 20.315 15.088 -0.002 1.00 15.49 C ATOM 758 C ALA 5 48 20.648 16.208 -0.985 1.00 14.13 C ATOM 759 O ALA 5 48 21.205 15.984 -2.051 1.00 13.28 O ATOM 760 CB ALA 5 48 18.826 14.747 -0.099 1.00 16.34 C ATOM 0 H ALA 5 48 19.806 15.684 1.983 1.00 14.50 H new ATOM 0 HA ALA 5 48 20.901 14.198 -0.231 1.00 15.49 H new ATOM 0 HB1 ALA 5 48 18.599 14.390 -1.104 1.00 16.34 H new ATOM 0 HB2 ALA 5 48 18.583 13.970 0.626 1.00 16.34 H new ATOM 0 HB3 ALA 5 48 18.234 15.638 0.112 1.00 16.34 H new ATOM 766 N GLU 5 49 20.335 17.418 -0.607 1.00 14.30 N ATOM 767 CA GLU 5 49 20.642 18.584 -1.467 1.00 16.73 C ATOM 768 C GLU 5 49 22.166 18.712 -1.569 1.00 14.46 C ATOM 769 O GLU 5 49 22.708 18.991 -2.628 1.00 14.56 O ATOM 770 CB GLU 5 49 20.047 19.853 -0.833 1.00 21.56 C ATOM 771 CG GLU 5 49 18.512 19.734 -0.740 1.00 26.75 C ATOM 772 CD GLU 5 49 18.119 18.596 0.212 1.00 29.54 C ATOM 773 OE1 GLU 5 49 18.844 18.361 1.170 1.00 34.26 O ATOM 774 OE2 GLU 5 49 17.103 17.973 -0.037 1.00 32.40 O ATOM 0 H GLU 5 49 19.874 17.645 0.274 1.00 14.30 H new ATOM 0 HA GLU 5 49 20.213 18.454 -2.460 1.00 16.73 H new ATOM 0 HB2 GLU 5 49 20.468 20.003 0.161 1.00 21.56 H new ATOM 0 HB3 GLU 5 49 20.316 20.726 -1.428 1.00 21.56 H new ATOM 0 HG2 GLU 5 49 18.089 20.674 -0.387 1.00 26.75 H new ATOM 0 HG3 GLU 5 49 18.095 19.549 -1.730 1.00 26.75 H new ATOM 781 N ASP 5 50 22.866 18.492 -0.475 1.00 14.10 N ATOM 782 CA ASP 5 50 24.356 18.582 -0.494 1.00 13.93 C ATOM 783 C ASP 5 50 24.927 17.628 -1.537 1.00 11.78 C ATOM 784 O ASP 5 50 25.686 18.018 -2.411 1.00 12.10 O ATOM 785 CB ASP 5 50 24.909 18.202 0.881 1.00 18.61 C ATOM 786 CG ASP 5 50 24.952 19.434 1.758 1.00 25.48 C ATOM 787 OD1 ASP 5 50 23.934 19.739 2.348 1.00 29.01 O ATOM 788 OD2 ASP 5 50 25.997 20.069 1.803 1.00 27.88 O ATOM 0 H ASP 5 50 22.462 18.253 0.431 1.00 14.10 H new ATOM 0 HA ASP 5 50 24.643 19.604 -0.743 1.00 13.93 H new ATOM 0 HB2 ASP 5 50 24.283 17.437 1.339 1.00 18.61 H new ATOM 0 HB3 ASP 5 50 25.908 17.778 0.780 1.00 18.61 H new ATOM 793 N CYS 5 51 24.572 16.373 -1.449 1.00 10.22 N ATOM 794 CA CYS 5 51 25.093 15.368 -2.425 1.00 10.57 C ATOM 795 C CYS 5 51 24.641 15.713 -3.850 1.00 11.23 C ATOM 796 O CYS 5 51 25.406 15.614 -4.794 1.00 11.33 O ATOM 797 CB CYS 5 51 24.560 13.984 -2.045 1.00 9.71 C ATOM 798 SG CYS 5 51 24.891 12.808 -3.384 1.00 10.82 S ATOM 0 H CYS 5 51 23.941 15.998 -0.740 1.00 10.22 H new ATOM 0 HA CYS 5 51 26.183 15.375 -2.395 1.00 10.57 H new ATOM 0 HB2 CYS 5 51 25.033 13.643 -1.124 1.00 9.71 H new ATOM 0 HB3 CYS 5 51 23.488 14.037 -1.852 1.00 9.71 H new ATOM 803 N MET 5 52 23.404 16.091 -4.019 1.00 12.19 N ATOM 804 CA MET 5 52 22.889 16.408 -5.387 1.00 15.04 C ATOM 805 C MET 5 52 23.555 17.673 -5.957 1.00 15.23 C ATOM 806 O MET 5 52 23.973 17.702 -7.104 1.00 16.42 O ATOM 807 CB MET 5 52 21.378 16.620 -5.298 1.00 16.60 C ATOM 808 CG MET 5 52 20.681 15.264 -5.135 1.00 19.07 C ATOM 809 SD MET 5 52 21.087 14.197 -6.543 1.00 21.60 S ATOM 810 CE MET 5 52 19.927 14.920 -7.733 1.00 20.98 C ATOM 0 H MET 5 52 22.723 16.195 -3.267 1.00 12.19 H new ATOM 0 HA MET 5 52 23.123 15.579 -6.054 1.00 15.04 H new ATOM 0 HB2 MET 5 52 21.140 17.267 -4.454 1.00 16.60 H new ATOM 0 HB3 MET 5 52 21.017 17.121 -6.196 1.00 16.60 H new ATOM 0 HG2 MET 5 52 20.997 14.791 -4.205 1.00 19.07 H new ATOM 0 HG3 MET 5 52 19.602 15.404 -5.071 1.00 19.07 H new ATOM 0 HE1 MET 5 52 19.175 14.179 -8.004 1.00 20.98 H new ATOM 0 HE2 MET 5 52 19.439 15.786 -7.285 1.00 20.98 H new ATOM 0 HE3 MET 5 52 20.469 15.231 -8.626 1.00 20.98 H new ATOM 820 N ARG 5 53 23.645 18.718 -5.172 1.00 17.25 N ATOM 821 CA ARG 5 53 24.255 19.993 -5.664 1.00 19.58 C ATOM 822 C ARG 5 53 25.781 19.862 -5.794 1.00 19.14 C ATOM 823 O ARG 5 53 26.400 20.583 -6.549 1.00 18.79 O ATOM 824 CB ARG 5 53 23.886 21.123 -4.674 1.00 21.70 C ATOM 825 CG ARG 5 53 25.041 22.127 -4.504 1.00 24.59 C ATOM 826 CD ARG 5 53 25.993 21.630 -3.407 1.00 26.49 C ATOM 827 NE ARG 5 53 25.426 21.955 -2.062 1.00 30.03 N ATOM 828 CZ ARG 5 53 25.875 21.370 -0.987 1.00 30.47 C ATOM 829 NH1 ARG 5 53 26.821 20.486 -1.053 1.00 30.70 N ATOM 830 NH2 ARG 5 53 25.358 21.656 0.165 1.00 31.82 N ATOM 0 H ARG 5 53 23.320 18.743 -4.205 1.00 17.25 H new ATOM 0 HA ARG 5 53 23.866 20.225 -6.656 1.00 19.58 H new ATOM 0 HB2 ARG 5 53 22.999 21.645 -5.032 1.00 21.70 H new ATOM 0 HB3 ARG 5 53 23.633 20.691 -3.706 1.00 21.70 H new ATOM 0 HG2 ARG 5 53 25.580 22.240 -5.445 1.00 24.59 H new ATOM 0 HG3 ARG 5 53 24.648 23.109 -4.242 1.00 24.59 H new ATOM 0 HD2 ARG 5 53 26.140 20.554 -3.500 1.00 26.49 H new ATOM 0 HD3 ARG 5 53 26.971 22.097 -3.522 1.00 26.49 H new ATOM 0 HE ARG 5 53 24.678 22.644 -1.985 1.00 30.03 H new ATOM 0 HH11 ARG 5 53 27.226 20.239 -1.956 1.00 30.70 H new ATOM 0 HH12 ARG 5 53 27.161 20.038 -0.202 1.00 30.70 H new ATOM 0 HH21 ARG 5 53 24.602 22.337 0.230 1.00 31.82 H new ATOM 0 HH22 ARG 5 53 25.707 21.200 1.008 1.00 31.82 H new ATOM 844 N THR 5 54 26.399 18.973 -5.061 1.00 16.27 N ATOM 845 CA THR 5 54 27.890 18.850 -5.146 1.00 15.50 C ATOM 846 C THR 5 54 28.303 17.681 -6.059 1.00 14.44 C ATOM 847 O THR 5 54 28.938 17.874 -7.080 1.00 14.74 O ATOM 848 CB THR 5 54 28.470 18.646 -3.735 1.00 16.69 C ATOM 849 OG1 THR 5 54 27.627 19.281 -2.772 1.00 17.09 O ATOM 850 CG2 THR 5 54 29.867 19.264 -3.660 1.00 16.12 C ATOM 0 H THR 5 54 25.944 18.331 -4.412 1.00 16.27 H new ATOM 0 HA THR 5 54 28.287 19.769 -5.578 1.00 15.50 H new ATOM 0 HB THR 5 54 28.528 17.578 -3.524 1.00 16.69 H new ATOM 0 HG1 THR 5 54 27.092 18.603 -2.308 1.00 17.09 H new ATOM 0 HG21 THR 5 54 30.276 19.119 -2.660 1.00 16.12 H new ATOM 0 HG22 THR 5 54 30.517 18.784 -4.391 1.00 16.12 H new ATOM 0 HG23 THR 5 54 29.805 20.331 -3.875 1.00 16.12 H new ATOM 858 N CYS 5 55 27.968 16.466 -5.704 1.00 12.64 N ATOM 859 CA CYS 5 55 28.369 15.303 -6.558 1.00 14.57 C ATOM 860 C CYS 5 55 27.386 15.150 -7.712 1.00 16.68 C ATOM 861 O CYS 5 55 27.774 15.019 -8.864 1.00 17.00 O ATOM 862 CB CYS 5 55 28.371 14.025 -5.720 1.00 13.88 C ATOM 863 SG CYS 5 55 28.440 12.587 -6.818 1.00 13.03 S ATOM 0 H CYS 5 55 27.438 16.228 -4.866 1.00 12.64 H new ATOM 0 HA CYS 5 55 29.369 15.479 -6.954 1.00 14.57 H new ATOM 0 HB2 CYS 5 55 29.226 14.022 -5.044 1.00 13.88 H new ATOM 0 HB3 CYS 5 55 27.475 13.981 -5.101 1.00 13.88 H new ATOM 868 N GLY 5 56 26.119 15.164 -7.416 1.00 22.23 N ATOM 869 CA GLY 5 56 25.100 15.021 -8.487 1.00 26.06 C ATOM 870 C GLY 5 56 25.313 16.109 -9.532 1.00 29.57 C ATOM 871 O GLY 5 56 25.921 15.872 -10.563 1.00 31.26 O ATOM 0 H GLY 5 56 25.744 15.269 -6.473 1.00 22.23 H new ATOM 0 HA2 GLY 5 56 25.177 14.037 -8.949 1.00 26.06 H new ATOM 0 HA3 GLY 5 56 24.098 15.097 -8.064 1.00 26.06 H new ATOM 875 N GLY 5 57 24.826 17.298 -9.279 1.00 36.75 N ATOM 876 CA GLY 5 57 24.995 18.413 -10.265 1.00 40.04 C ATOM 877 C GLY 5 57 24.217 18.075 -11.540 1.00 43.19 C ATOM 878 O GLY 5 57 23.467 18.881 -12.056 1.00 44.36 O ATOM 0 H GLY 5 57 24.317 17.547 -8.431 1.00 36.75 H new ATOM 0 HA2 GLY 5 57 24.633 19.349 -9.840 1.00 40.04 H new ATOM 0 HA3 GLY 5 57 26.051 18.555 -10.495 1.00 40.04 H new ATOM 882 N ALA 5 58 24.392 16.881 -12.034 1.00 46.32 N ATOM 883 CA ALA 5 58 23.674 16.436 -13.265 1.00 46.11 C ATOM 884 C ALA 5 58 23.817 14.907 -13.406 1.00 47.14 C ATOM 885 O ALA 5 58 24.112 14.260 -12.410 1.00 47.19 O ATOM 886 CB ALA 5 58 24.264 17.141 -14.493 1.00 45.68 C ATOM 887 OXT ALA 5 58 23.629 14.400 -14.500 1.00 48.98 O ATOM 0 H ALA 5 58 25.014 16.181 -11.630 1.00 46.32 H new ATOM 0 HA ALA 5 58 22.618 16.694 -13.191 1.00 46.11 H new ATOM 0 HB1 ALA 5 58 23.737 16.813 -15.389 1.00 45.68 H new ATOM 0 HB2 ALA 5 58 24.154 18.220 -14.381 1.00 45.68 H new ATOM 0 HB3 ALA 5 58 25.321 16.892 -14.583 1.00 45.68 H new TER 893 ALA 5 58 HETATM 894 O HOH 5 59 32.188 6.048 -0.209 1.00 17.11 O HETATM 897 O HOH 5 60 31.932 6.444 2.230 1.00 12.53 O HETATM 900 O HOH 5 61 31.587 7.168 4.821 1.00 10.62 O HETATM 903 O HOH 5 62 32.974 3.581 10.639 1.00 11.08 O