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= -0.468 K(o=0.56,f=-16!) USER MOD Set 1.2: 5 31 GLN : amide:sc= 1.03 K(o=0.56,f=-16!) USER MOD Single : 5 1 ARG N :NH3+ -115:sc= -1.69! (180deg=-6.54!) USER MOD Single : 5 10 TYR OH : rot 180:sc= 0 USER MOD Single : 5 11 THR OG1 : rot -73:sc= 1.27 USER MOD Single : 5 15 LYS NZ :NH3+ -149:sc= -2.57! (180deg=-7.67!) USER MOD Single : 5 21 TYR OH : rot 180:sc= 0 USER MOD Single : 5 23 TYR OH : rot 2:sc= -0.639 USER MOD Single : 5 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 5 32 THR OG1 : rot 180:sc= 0.00883 USER MOD Single : 5 35 TYR OH : rot -159:sc= -0.854! USER MOD Single : 5 41 LYS NZ :NH3+ -121:sc= -1.11! (180deg=-6.36!) USER MOD Single : 5 43 ASN : amide:sc= 2.24 K(o=2.2,f=-9.8!) USER MOD Single : 5 44 ASN : amide:sc= 0.965 K(o=0.97,f=-8.1!) USER MOD Single : 5 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 5 47 SER OG : rot -128:sc= 2.27 USER MOD Single : 5 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 5 54 THR OG1 : rot 92:sc= -3.62! USER MOD ----------------------------------------------------------------- ATOM 1 N ARG 5 1 28.425 14.833 -11.223 1.00 28.28 N ATOM 2 CA ARG 5 1 29.020 13.574 -10.681 1.00 27.90 C ATOM 3 C ARG 5 1 30.533 13.517 -10.982 1.00 24.90 C ATOM 4 O ARG 5 1 30.992 12.601 -11.633 1.00 24.44 O ATOM 5 CB ARG 5 1 28.328 12.370 -11.339 1.00 27.88 C ATOM 6 CG ARG 5 1 28.388 12.520 -12.867 1.00 29.61 C ATOM 7 CD ARG 5 1 27.793 11.291 -13.556 1.00 31.91 C ATOM 8 NE ARG 5 1 26.796 11.756 -14.576 1.00 33.51 N ATOM 9 CZ ARG 5 1 25.851 12.593 -14.250 1.00 34.29 C ATOM 10 NH1 ARG 5 1 25.542 12.785 -13.011 1.00 35.44 N ATOM 11 NH2 ARG 5 1 25.165 13.187 -15.167 1.00 34.48 N ATOM 0 H1 ARG 5 1 28.084 15.422 -10.437 1.00 28.28 H new ATOM 0 H2 ARG 5 1 29.147 15.355 -11.759 1.00 28.28 H new ATOM 0 H3 ARG 5 1 27.630 14.599 -11.851 1.00 28.28 H new ATOM 0 HA ARG 5 1 28.876 13.550 -9.601 1.00 27.90 H new ATOM 0 HB2 ARG 5 1 28.816 11.444 -11.034 1.00 27.88 H new ATOM 0 HB3 ARG 5 1 27.291 12.307 -11.009 1.00 27.88 H new ATOM 0 HG2 ARG 5 1 27.842 13.413 -13.171 1.00 29.61 H new ATOM 0 HG3 ARG 5 1 29.422 12.655 -13.184 1.00 29.61 H new ATOM 0 HD2 ARG 5 1 28.579 10.706 -14.033 1.00 31.91 H new ATOM 0 HD3 ARG 5 1 27.312 10.642 -12.824 1.00 31.91 H new ATOM 0 HE ARG 5 1 26.858 11.414 -15.535 1.00 33.51 H new ATOM 0 HH11 ARG 5 1 26.039 12.280 -12.277 1.00 35.44 H new ATOM 0 HH12 ARG 5 1 24.801 13.442 -12.766 1.00 35.44 H new ATOM 0 HH21 ARG 5 1 25.361 13.002 -16.151 1.00 34.48 H new ATOM 0 HH22 ARG 5 1 24.426 13.841 -14.908 1.00 34.48 H new ATOM 27 N PRO 5 2 31.305 14.481 -10.517 1.00 22.41 N ATOM 28 CA PRO 5 2 32.790 14.500 -10.745 1.00 19.52 C ATOM 29 C PRO 5 2 33.500 13.295 -10.086 1.00 17.70 C ATOM 30 O PRO 5 2 32.921 12.233 -9.922 1.00 16.41 O ATOM 31 CB PRO 5 2 33.250 15.826 -10.112 1.00 21.00 C ATOM 32 CG PRO 5 2 32.009 16.646 -9.953 1.00 20.91 C ATOM 33 CD PRO 5 2 30.870 15.651 -9.737 1.00 22.49 C ATOM 0 HA PRO 5 2 33.037 14.426 -11.804 1.00 19.52 H new ATOM 0 HB2 PRO 5 2 33.733 15.655 -9.150 1.00 21.00 H new ATOM 0 HB3 PRO 5 2 33.976 16.333 -10.747 1.00 21.00 H new ATOM 0 HG2 PRO 5 2 32.097 17.327 -9.107 1.00 20.91 H new ATOM 0 HG3 PRO 5 2 31.830 17.258 -10.837 1.00 20.91 H new ATOM 0 HD2 PRO 5 2 30.740 15.408 -8.682 1.00 22.49 H new ATOM 0 HD3 PRO 5 2 29.918 16.043 -10.094 1.00 22.49 H new ATOM 41 N ASP 5 3 34.742 13.451 -9.679 1.00 16.15 N ATOM 42 CA ASP 5 3 35.479 12.300 -9.049 1.00 17.15 C ATOM 43 C ASP 5 3 34.752 11.820 -7.801 1.00 13.33 C ATOM 44 O ASP 5 3 34.453 10.650 -7.658 1.00 12.36 O ATOM 45 CB ASP 5 3 36.921 12.699 -8.676 1.00 24.92 C ATOM 46 CG ASP 5 3 36.954 14.065 -7.949 1.00 31.50 C ATOM 47 OD1 ASP 5 3 36.465 15.034 -8.512 1.00 35.43 O ATOM 48 OD2 ASP 5 3 37.492 14.112 -6.847 1.00 35.71 O ATOM 0 H ASP 5 3 35.274 14.318 -9.754 1.00 16.15 H new ATOM 0 HA ASP 5 3 35.516 11.494 -9.781 1.00 17.15 H new ATOM 0 HB2 ASP 5 3 37.359 11.933 -8.036 1.00 24.92 H new ATOM 0 HB3 ASP 5 3 37.532 12.749 -9.577 1.00 24.92 H new ATOM 53 N PHE 5 4 34.551 12.686 -6.849 1.00 12.38 N ATOM 54 CA PHE 5 4 33.911 12.282 -5.560 1.00 13.61 C ATOM 55 C PHE 5 4 32.473 11.800 -5.838 1.00 13.10 C ATOM 56 O PHE 5 4 31.514 12.205 -5.201 1.00 13.82 O ATOM 57 CB PHE 5 4 33.929 13.482 -4.582 1.00 12.65 C ATOM 58 CG PHE 5 4 33.521 14.756 -5.301 1.00 12.81 C ATOM 59 CD1 PHE 5 4 34.472 15.519 -5.984 1.00 13.29 C ATOM 60 CD2 PHE 5 4 32.178 15.166 -5.284 1.00 12.38 C ATOM 61 CE1 PHE 5 4 34.092 16.693 -6.656 1.00 14.01 C ATOM 62 CE2 PHE 5 4 31.794 16.337 -5.955 1.00 14.62 C ATOM 63 CZ PHE 5 4 32.750 17.101 -6.643 1.00 13.69 C ATOM 0 H PHE 5 4 34.806 13.672 -6.907 1.00 12.38 H new ATOM 0 HA PHE 5 4 34.463 11.462 -5.100 1.00 13.61 H new ATOM 0 HB2 PHE 5 4 33.250 13.292 -3.751 1.00 12.65 H new ATOM 0 HB3 PHE 5 4 34.926 13.599 -4.158 1.00 12.65 H new ATOM 0 HD1 PHE 5 4 35.505 15.204 -5.995 1.00 13.29 H new ATOM 0 HD2 PHE 5 4 31.441 14.580 -4.755 1.00 12.38 H new ATOM 0 HE1 PHE 5 4 34.831 17.280 -7.181 1.00 14.01 H new ATOM 0 HE2 PHE 5 4 30.761 16.651 -5.942 1.00 14.62 H new ATOM 0 HZ PHE 5 4 32.453 18.001 -7.161 1.00 13.69 H new ATOM 73 N CYS 5 5 32.339 10.933 -6.808 1.00 12.49 N ATOM 74 CA CYS 5 5 31.006 10.389 -7.197 1.00 10.18 C ATOM 75 C CYS 5 5 31.176 8.950 -7.696 1.00 10.29 C ATOM 76 O CYS 5 5 30.246 8.339 -8.190 1.00 10.73 O ATOM 77 CB CYS 5 5 30.449 11.236 -8.341 1.00 10.74 C ATOM 78 SG CYS 5 5 30.186 12.928 -7.768 1.00 12.66 S ATOM 0 H CYS 5 5 33.118 10.572 -7.359 1.00 12.49 H new ATOM 0 HA CYS 5 5 30.332 10.410 -6.341 1.00 10.18 H new ATOM 0 HB2 CYS 5 5 31.142 11.230 -9.183 1.00 10.74 H new ATOM 0 HB3 CYS 5 5 29.510 10.812 -8.698 1.00 10.74 H new ATOM 83 N LEU 5 6 32.373 8.419 -7.606 1.00 10.75 N ATOM 84 CA LEU 5 6 32.625 7.041 -8.118 1.00 12.75 C ATOM 85 C LEU 5 6 32.819 6.035 -6.975 1.00 13.85 C ATOM 86 O LEU 5 6 32.134 5.035 -6.929 1.00 15.33 O ATOM 87 CB LEU 5 6 33.865 7.070 -9.017 1.00 14.73 C ATOM 88 CG LEU 5 6 33.506 7.761 -10.341 1.00 16.78 C ATOM 89 CD1 LEU 5 6 34.454 8.932 -10.601 1.00 17.42 C ATOM 90 CD2 LEU 5 6 33.618 6.759 -11.490 1.00 16.88 C ATOM 0 H LEU 5 6 33.185 8.884 -7.199 1.00 10.75 H new ATOM 0 HA LEU 5 6 31.754 6.715 -8.687 1.00 12.75 H new ATOM 0 HB2 LEU 5 6 34.677 7.603 -8.522 1.00 14.73 H new ATOM 0 HB3 LEU 5 6 34.218 6.056 -9.205 1.00 14.73 H new ATOM 0 HG LEU 5 6 32.484 8.135 -10.275 1.00 16.78 H new ATOM 0 HD11 LEU 5 6 34.189 9.413 -11.542 1.00 17.42 H new ATOM 0 HD12 LEU 5 6 34.372 9.654 -9.789 1.00 17.42 H new ATOM 0 HD13 LEU 5 6 35.479 8.565 -10.657 1.00 17.42 H new ATOM 0 HD21 LEU 5 6 33.363 7.251 -12.428 1.00 16.88 H new ATOM 0 HD22 LEU 5 6 34.639 6.381 -11.545 1.00 16.88 H new ATOM 0 HD23 LEU 5 6 32.932 5.929 -11.317 1.00 16.88 H new ATOM 102 N GLU 5 7 33.729 6.273 -6.057 1.00 12.79 N ATOM 103 CA GLU 5 7 33.917 5.293 -4.936 1.00 15.64 C ATOM 104 C GLU 5 7 32.553 5.036 -4.267 1.00 12.90 C ATOM 105 O GLU 5 7 31.869 5.956 -3.855 1.00 12.97 O ATOM 106 CB GLU 5 7 34.937 5.823 -3.903 1.00 17.43 C ATOM 107 CG GLU 5 7 34.938 7.360 -3.855 1.00 19.72 C ATOM 108 CD GLU 5 7 34.886 7.824 -2.394 1.00 20.46 C ATOM 109 OE1 GLU 5 7 33.804 7.855 -1.847 1.00 18.99 O ATOM 110 OE2 GLU 5 7 35.917 8.193 -1.857 1.00 22.37 O ATOM 0 H GLU 5 7 34.340 7.089 -6.034 1.00 12.79 H new ATOM 0 HA GLU 5 7 34.312 4.359 -5.337 1.00 15.64 H new ATOM 0 HB2 GLU 5 7 34.698 5.427 -2.916 1.00 17.43 H new ATOM 0 HB3 GLU 5 7 35.935 5.465 -4.157 1.00 17.43 H new ATOM 0 HG2 GLU 5 7 35.833 7.749 -4.340 1.00 19.72 H new ATOM 0 HG3 GLU 5 7 34.082 7.753 -4.403 1.00 19.72 H new ATOM 117 N PRO 5 8 32.149 3.785 -4.174 1.00 13.23 N ATOM 118 CA PRO 5 8 30.813 3.408 -3.598 1.00 13.50 C ATOM 119 C PRO 5 8 30.725 3.636 -2.074 1.00 12.26 C ATOM 120 O PRO 5 8 31.730 3.779 -1.408 1.00 11.77 O ATOM 121 CB PRO 5 8 30.694 1.912 -3.931 1.00 15.10 C ATOM 122 CG PRO 5 8 32.099 1.421 -4.025 1.00 16.05 C ATOM 123 CD PRO 5 8 32.914 2.589 -4.590 1.00 15.37 C ATOM 0 HA PRO 5 8 30.010 4.019 -4.010 1.00 13.50 H new ATOM 0 HB2 PRO 5 8 30.141 1.379 -3.157 1.00 15.10 H new ATOM 0 HB3 PRO 5 8 30.159 1.758 -4.868 1.00 15.10 H new ATOM 0 HG2 PRO 5 8 32.474 1.120 -3.047 1.00 16.05 H new ATOM 0 HG3 PRO 5 8 32.165 0.548 -4.674 1.00 16.05 H new ATOM 0 HD2 PRO 5 8 33.927 2.602 -4.188 1.00 15.37 H new ATOM 0 HD3 PRO 5 8 33.003 2.528 -5.675 1.00 15.37 H new ATOM 131 N PRO 5 9 29.531 3.597 -1.521 1.00 11.39 N ATOM 132 CA PRO 5 9 29.294 3.796 -0.058 1.00 11.12 C ATOM 133 C PRO 5 9 30.277 2.955 0.807 1.00 10.17 C ATOM 134 O PRO 5 9 30.550 1.824 0.503 1.00 12.88 O ATOM 135 CB PRO 5 9 27.843 3.331 0.168 1.00 11.43 C ATOM 136 CG PRO 5 9 27.271 2.961 -1.171 1.00 12.21 C ATOM 137 CD PRO 5 9 28.287 3.333 -2.252 1.00 11.84 C ATOM 0 HA PRO 5 9 29.455 4.833 0.235 1.00 11.12 H new ATOM 0 HB2 PRO 5 9 27.816 2.477 0.845 1.00 11.43 H new ATOM 0 HB3 PRO 5 9 27.254 4.124 0.630 1.00 11.43 H new ATOM 0 HG2 PRO 5 9 27.052 1.894 -1.208 1.00 12.21 H new ATOM 0 HG3 PRO 5 9 26.330 3.485 -1.339 1.00 12.21 H new ATOM 0 HD2 PRO 5 9 28.415 2.523 -2.971 1.00 11.84 H new ATOM 0 HD3 PRO 5 9 27.964 4.210 -2.813 1.00 11.84 H new ATOM 145 N TYR 5 10 30.791 3.499 1.872 1.00 9.53 N ATOM 146 CA TYR 5 10 31.754 2.767 2.743 1.00 10.73 C ATOM 147 C TYR 5 10 31.372 3.082 4.198 1.00 9.35 C ATOM 148 O TYR 5 10 31.514 4.195 4.650 1.00 9.61 O ATOM 149 CB TYR 5 10 33.154 3.301 2.374 1.00 12.55 C ATOM 150 CG TYR 5 10 34.277 2.464 2.956 1.00 14.36 C ATOM 151 CD1 TYR 5 10 34.675 2.640 4.284 1.00 14.93 C ATOM 152 CD2 TYR 5 10 34.968 1.561 2.137 1.00 16.08 C ATOM 153 CE1 TYR 5 10 35.753 1.909 4.796 1.00 15.90 C ATOM 154 CE2 TYR 5 10 36.053 0.840 2.645 1.00 16.73 C ATOM 155 CZ TYR 5 10 36.443 1.014 3.976 1.00 17.33 C ATOM 156 OH TYR 5 10 37.518 0.311 4.476 1.00 19.17 O ATOM 0 H TYR 5 10 30.579 4.446 2.185 1.00 9.53 H new ATOM 0 HA TYR 5 10 31.741 1.685 2.615 1.00 10.73 H new ATOM 0 HB2 TYR 5 10 33.253 3.328 1.289 1.00 12.55 H new ATOM 0 HB3 TYR 5 10 33.251 4.327 2.729 1.00 12.55 H new ATOM 0 HD1 TYR 5 10 34.150 3.341 4.916 1.00 14.93 H new ATOM 0 HD2 TYR 5 10 34.662 1.422 1.111 1.00 16.08 H new ATOM 0 HE1 TYR 5 10 36.051 2.037 5.826 1.00 15.90 H new ATOM 0 HE2 TYR 5 10 36.589 0.150 2.010 1.00 16.73 H new ATOM 0 HH TYR 5 10 37.884 -0.269 3.776 1.00 19.17 H new ATOM 166 N THR 5 11 30.872 2.111 4.905 1.00 10.38 N ATOM 167 CA THR 5 11 30.423 2.308 6.314 1.00 12.46 C ATOM 168 C THR 5 11 31.616 2.136 7.251 1.00 11.29 C ATOM 169 O THR 5 11 31.687 2.754 8.296 1.00 11.82 O ATOM 170 CB THR 5 11 29.346 1.259 6.631 1.00 13.67 C ATOM 171 OG1 THR 5 11 28.153 1.561 5.911 1.00 15.23 O ATOM 172 CG2 THR 5 11 29.036 1.262 8.123 1.00 14.27 C ATOM 0 H THR 5 11 30.751 1.160 4.556 1.00 10.38 H new ATOM 0 HA THR 5 11 30.012 3.308 6.448 1.00 12.46 H new ATOM 0 HB THR 5 11 29.718 0.277 6.338 1.00 13.67 H new ATOM 0 HG1 THR 5 11 27.719 2.343 6.311 1.00 15.23 H new ATOM 0 HG21 THR 5 11 28.272 0.515 8.337 1.00 14.27 H new ATOM 0 HG22 THR 5 11 29.941 1.026 8.683 1.00 14.27 H new ATOM 0 HG23 THR 5 11 28.674 2.247 8.417 1.00 14.27 H new ATOM 180 N GLY 5 12 32.542 1.289 6.880 1.00 12.43 N ATOM 181 CA GLY 5 12 33.747 1.055 7.738 1.00 13.15 C ATOM 182 C GLY 5 12 33.429 0.070 8.875 1.00 12.80 C ATOM 183 O GLY 5 12 32.305 -0.395 9.028 1.00 12.30 O ATOM 0 H GLY 5 12 32.517 0.746 6.017 1.00 12.43 H new ATOM 0 HA2 GLY 5 12 34.561 0.663 7.129 1.00 13.15 H new ATOM 0 HA3 GLY 5 12 34.089 2.001 8.157 1.00 13.15 H new ATOM 187 N PRO 5 13 34.422 -0.236 9.677 1.00 14.49 N ATOM 188 CA PRO 5 13 34.280 -1.179 10.830 1.00 13.95 C ATOM 189 C PRO 5 13 33.295 -0.680 11.898 1.00 13.29 C ATOM 190 O PRO 5 13 32.463 -1.429 12.379 1.00 14.10 O ATOM 191 CB PRO 5 13 35.699 -1.298 11.406 1.00 13.23 C ATOM 192 CG PRO 5 13 36.466 -0.130 10.874 1.00 14.60 C ATOM 193 CD PRO 5 13 35.787 0.302 9.572 1.00 13.98 C ATOM 0 HA PRO 5 13 33.869 -2.134 10.504 1.00 13.95 H new ATOM 0 HB2 PRO 5 13 35.679 -1.286 12.496 1.00 13.23 H new ATOM 0 HB3 PRO 5 13 36.163 -2.237 11.106 1.00 13.23 H new ATOM 0 HG2 PRO 5 13 36.471 0.688 11.595 1.00 14.60 H new ATOM 0 HG3 PRO 5 13 37.506 -0.402 10.694 1.00 14.60 H new ATOM 0 HD2 PRO 5 13 35.780 1.387 9.468 1.00 13.98 H new ATOM 0 HD3 PRO 5 13 36.306 -0.098 8.701 1.00 13.98 H new ATOM 201 N CYS 5 14 33.362 0.571 12.259 1.00 12.13 N ATOM 202 CA CYS 5 14 32.424 1.108 13.296 1.00 13.10 C ATOM 203 C CYS 5 14 30.968 1.011 12.815 1.00 14.28 C ATOM 204 O CYS 5 14 30.689 0.912 11.628 1.00 14.31 O ATOM 205 CB CYS 5 14 32.761 2.576 13.576 1.00 11.97 C ATOM 206 SG CYS 5 14 34.523 2.728 13.958 1.00 12.63 S ATOM 0 H CYS 5 14 34.025 1.249 11.883 1.00 12.13 H new ATOM 0 HA CYS 5 14 32.536 0.516 14.204 1.00 13.10 H new ATOM 0 HB2 CYS 5 14 32.512 3.189 12.710 1.00 11.97 H new ATOM 0 HB3 CYS 5 14 32.164 2.945 14.410 1.00 11.97 H new ATOM 211 N LYS 5 15 30.038 1.047 13.729 1.00 15.59 N ATOM 212 CA LYS 5 15 28.616 0.956 13.345 1.00 16.40 C ATOM 213 C LYS 5 15 27.835 2.013 14.118 1.00 14.53 C ATOM 214 O LYS 5 15 26.723 1.805 14.561 1.00 16.12 O ATOM 215 CB LYS 5 15 28.073 -0.446 13.656 1.00 20.41 C ATOM 216 CG LYS 5 15 28.872 -1.497 12.875 1.00 23.07 C ATOM 217 CD LYS 5 15 28.522 -1.409 11.383 1.00 26.62 C ATOM 218 CE LYS 5 15 29.658 -2.008 10.549 1.00 30.12 C ATOM 219 NZ LYS 5 15 30.902 -1.214 10.777 1.00 33.66 N ATOM 0 H LYS 5 15 30.211 1.136 14.730 1.00 15.59 H new ATOM 0 HA LYS 5 15 28.508 1.131 12.275 1.00 16.40 H new ATOM 0 HB2 LYS 5 15 28.142 -0.644 14.726 1.00 20.41 H new ATOM 0 HB3 LYS 5 15 27.018 -0.505 13.389 1.00 20.41 H new ATOM 0 HG2 LYS 5 15 29.940 -1.336 13.018 1.00 23.07 H new ATOM 0 HG3 LYS 5 15 28.647 -2.494 13.253 1.00 23.07 H new ATOM 0 HD2 LYS 5 15 27.593 -1.943 11.186 1.00 26.62 H new ATOM 0 HD3 LYS 5 15 28.359 -0.369 11.099 1.00 26.62 H new ATOM 0 HE2 LYS 5 15 29.820 -3.049 10.827 1.00 30.12 H new ATOM 0 HE3 LYS 5 15 29.394 -1.998 9.492 1.00 30.12 H new ATOM 0 HZ1 LYS 5 15 31.486 -1.229 9.916 1.00 33.66 H new ATOM 0 HZ2 LYS 5 15 30.650 -0.232 11.007 1.00 33.66 H new ATOM 0 HZ3 LYS 5 15 31.438 -1.628 11.566 1.00 33.66 H new ATOM 233 N ALA 5 16 28.441 3.142 14.330 1.00 12.01 N ATOM 234 CA ALA 5 16 27.739 4.211 15.061 1.00 12.90 C ATOM 235 C ALA 5 16 26.478 4.543 14.304 1.00 12.51 C ATOM 236 O ALA 5 16 26.506 4.846 13.144 1.00 13.19 O ATOM 237 CB ALA 5 16 28.628 5.455 15.190 1.00 11.07 C ATOM 0 H ALA 5 16 29.389 3.366 14.028 1.00 12.01 H new ATOM 0 HA ALA 5 16 27.497 3.874 16.069 1.00 12.90 H new ATOM 0 HB1 ALA 5 16 28.090 6.232 15.733 1.00 11.07 H new ATOM 0 HB2 ALA 5 16 29.538 5.197 15.732 1.00 11.07 H new ATOM 0 HB3 ALA 5 16 28.888 5.821 14.197 1.00 11.07 H new ATOM 243 N ARG 5 17 25.380 4.422 14.961 1.00 12.27 N ATOM 244 CA ARG 5 17 24.050 4.682 14.319 1.00 13.57 C ATOM 245 C ARG 5 17 23.987 6.080 13.667 1.00 11.67 C ATOM 246 O ARG 5 17 23.011 6.791 13.793 1.00 13.64 O ATOM 247 CB ARG 5 17 22.951 4.545 15.384 1.00 15.95 C ATOM 248 CG ARG 5 17 22.373 3.129 15.344 1.00 21.32 C ATOM 249 CD ARG 5 17 22.790 2.374 16.605 1.00 25.64 C ATOM 250 NE ARG 5 17 22.452 0.920 16.443 1.00 32.90 N ATOM 251 CZ ARG 5 17 21.241 0.529 16.183 1.00 35.77 C ATOM 252 NH1 ARG 5 17 20.260 1.376 16.224 1.00 36.81 N ATOM 253 NH2 ARG 5 17 21.006 -0.720 15.926 1.00 36.79 N ATOM 0 H ARG 5 17 25.329 4.148 15.942 1.00 12.27 H new ATOM 0 HA ARG 5 17 23.901 3.951 13.524 1.00 13.57 H new ATOM 0 HB2 ARG 5 17 23.360 4.754 16.372 1.00 15.95 H new ATOM 0 HB3 ARG 5 17 22.163 5.276 15.204 1.00 15.95 H new ATOM 0 HG2 ARG 5 17 21.286 3.170 15.274 1.00 21.32 H new ATOM 0 HG3 ARG 5 17 22.730 2.604 14.458 1.00 21.32 H new ATOM 0 HD2 ARG 5 17 23.859 2.494 16.779 1.00 25.64 H new ATOM 0 HD3 ARG 5 17 22.278 2.784 17.475 1.00 25.64 H new ATOM 0 HE ARG 5 17 23.191 0.223 16.539 1.00 32.90 H new ATOM 0 HH11 ARG 5 17 20.438 2.352 16.461 1.00 36.81 H new ATOM 0 HH12 ARG 5 17 19.310 1.066 16.019 1.00 36.81 H new ATOM 0 HH21 ARG 5 17 21.772 -1.394 15.928 1.00 36.79 H new ATOM 0 HH22 ARG 5 17 20.056 -1.029 15.722 1.00 36.79 H new ATOM 267 N ILE 5 18 25.000 6.454 12.932 1.00 10.78 N ATOM 268 CA ILE 5 18 25.006 7.787 12.267 1.00 10.61 C ATOM 269 C ILE 5 18 24.493 7.675 10.835 1.00 10.94 C ATOM 270 O ILE 5 18 25.217 7.335 9.920 1.00 10.62 O ATOM 271 CB ILE 5 18 26.429 8.375 12.258 1.00 11.97 C ATOM 272 CG1 ILE 5 18 26.982 8.443 13.687 1.00 13.12 C ATOM 273 CG2 ILE 5 18 26.375 9.789 11.672 1.00 10.95 C ATOM 274 CD1 ILE 5 18 28.410 8.998 13.650 1.00 13.42 C ATOM 0 H ILE 5 18 25.831 5.887 12.763 1.00 10.78 H new ATOM 0 HA ILE 5 18 24.347 8.449 12.829 1.00 10.61 H new ATOM 0 HB ILE 5 18 27.079 7.740 11.656 1.00 11.97 H new ATOM 0 HG12 ILE 5 18 26.348 9.079 14.305 1.00 13.12 H new ATOM 0 HG13 ILE 5 18 26.976 7.451 14.139 1.00 13.12 H new ATOM 0 HG21 ILE 5 18 27.378 10.217 11.660 1.00 10.95 H new ATOM 0 HG22 ILE 5 18 25.987 9.747 10.654 1.00 10.95 H new ATOM 0 HG23 ILE 5 18 25.722 10.412 12.284 1.00 10.95 H new ATOM 0 HD11 ILE 5 18 28.807 9.048 14.664 1.00 13.42 H new ATOM 0 HD12 ILE 5 18 29.039 8.344 13.046 1.00 13.42 H new ATOM 0 HD13 ILE 5 18 28.401 9.997 13.214 1.00 13.42 H new ATOM 286 N ILE 5 19 23.251 8.010 10.640 1.00 10.63 N ATOM 287 CA ILE 5 19 22.661 7.966 9.266 1.00 11.65 C ATOM 288 C ILE 5 19 23.239 9.124 8.449 1.00 10.38 C ATOM 289 O ILE 5 19 23.408 10.226 8.948 1.00 12.22 O ATOM 290 CB ILE 5 19 21.122 8.085 9.310 1.00 13.30 C ATOM 291 CG1 ILE 5 19 20.567 7.559 10.645 1.00 15.24 C ATOM 292 CG2 ILE 5 19 20.520 7.265 8.162 1.00 13.64 C ATOM 293 CD1 ILE 5 19 20.886 6.068 10.801 1.00 16.83 C ATOM 0 H ILE 5 19 22.612 8.315 11.374 1.00 10.63 H new ATOM 0 HA ILE 5 19 22.910 7.009 8.808 1.00 11.65 H new ATOM 0 HB ILE 5 19 20.854 9.137 9.210 1.00 13.30 H new ATOM 0 HG12 ILE 5 19 21.000 8.120 11.473 1.00 15.24 H new ATOM 0 HG13 ILE 5 19 19.489 7.714 10.685 1.00 15.24 H new ATOM 0 HG21 ILE 5 19 19.433 7.345 8.188 1.00 13.64 H new ATOM 0 HG22 ILE 5 19 20.889 7.646 7.210 1.00 13.64 H new ATOM 0 HG23 ILE 5 19 20.809 6.220 8.271 1.00 13.64 H new ATOM 0 HD11 ILE 5 19 20.488 5.708 11.750 1.00 16.83 H new ATOM 0 HD12 ILE 5 19 20.431 5.511 9.982 1.00 16.83 H new ATOM 0 HD13 ILE 5 19 21.966 5.923 10.782 1.00 16.83 H new ATOM 305 N ARG 5 20 23.541 8.880 7.204 1.00 10.55 N ATOM 306 CA ARG 5 20 24.124 9.950 6.339 1.00 10.78 C ATOM 307 C ARG 5 20 23.603 9.791 4.901 1.00 9.27 C ATOM 308 O ARG 5 20 22.916 8.831 4.567 1.00 10.69 O ATOM 309 CB ARG 5 20 25.663 9.837 6.319 1.00 9.44 C ATOM 310 CG ARG 5 20 26.258 9.964 7.734 1.00 10.78 C ATOM 311 CD ARG 5 20 26.441 11.438 8.098 1.00 12.14 C ATOM 312 NE ARG 5 20 27.345 12.074 7.090 1.00 13.47 N ATOM 313 CZ ARG 5 20 27.489 13.363 7.031 1.00 14.63 C ATOM 314 NH1 ARG 5 20 26.834 14.136 7.839 1.00 15.39 N ATOM 315 NH2 ARG 5 20 28.282 13.869 6.141 1.00 14.38 N ATOM 0 H ARG 5 20 23.409 7.980 6.743 1.00 10.55 H new ATOM 0 HA ARG 5 20 23.832 10.920 6.740 1.00 10.78 H new ATOM 0 HB2 ARG 5 20 25.953 8.879 5.886 1.00 9.44 H new ATOM 0 HB3 ARG 5 20 26.077 10.615 5.678 1.00 9.44 H new ATOM 0 HG2 ARG 5 20 25.601 9.482 8.458 1.00 10.78 H new ATOM 0 HG3 ARG 5 20 27.217 9.448 7.781 1.00 10.78 H new ATOM 0 HD2 ARG 5 20 25.477 11.946 8.114 1.00 12.14 H new ATOM 0 HD3 ARG 5 20 26.866 11.530 9.098 1.00 12.14 H new ATOM 0 HE ARG 5 20 27.859 11.483 6.436 1.00 13.47 H new ATOM 0 HH11 ARG 5 20 26.199 13.733 8.528 1.00 15.39 H new ATOM 0 HH12 ARG 5 20 26.953 15.148 7.786 1.00 15.39 H new ATOM 0 HH21 ARG 5 20 28.784 13.257 5.498 1.00 14.38 H new ATOM 0 HH22 ARG 5 20 28.405 14.880 6.083 1.00 14.38 H new ATOM 329 N TYR 5 21 23.951 10.719 4.045 1.00 9.20 N ATOM 330 CA TYR 5 21 23.515 10.646 2.609 1.00 8.22 C ATOM 331 C TYR 5 21 24.741 10.375 1.714 1.00 8.71 C ATOM 332 O TYR 5 21 25.861 10.665 2.088 1.00 8.47 O ATOM 333 CB TYR 5 21 22.894 11.982 2.208 1.00 9.14 C ATOM 334 CG TYR 5 21 21.613 12.195 2.973 1.00 10.30 C ATOM 335 CD1 TYR 5 21 21.662 12.526 4.320 1.00 10.02 C ATOM 336 CD2 TYR 5 21 20.385 12.070 2.330 1.00 10.29 C ATOM 337 CE1 TYR 5 21 20.483 12.738 5.029 1.00 11.24 C ATOM 338 CE2 TYR 5 21 19.204 12.283 3.040 1.00 11.46 C ATOM 339 CZ TYR 5 21 19.254 12.618 4.388 1.00 12.26 C ATOM 340 OH TYR 5 21 18.085 12.831 5.085 1.00 13.81 O ATOM 0 H TYR 5 21 24.522 11.531 4.277 1.00 9.20 H new ATOM 0 HA TYR 5 21 22.787 9.844 2.488 1.00 8.22 H new ATOM 0 HB2 TYR 5 21 23.591 12.794 2.413 1.00 9.14 H new ATOM 0 HB3 TYR 5 21 22.696 11.995 1.136 1.00 9.14 H new ATOM 0 HD1 TYR 5 21 22.616 12.619 4.818 1.00 10.02 H new ATOM 0 HD2 TYR 5 21 20.347 11.808 1.283 1.00 10.29 H new ATOM 0 HE1 TYR 5 21 20.522 12.996 6.077 1.00 11.24 H new ATOM 0 HE2 TYR 5 21 18.250 12.188 2.542 1.00 11.46 H new ATOM 0 HH TYR 5 21 17.320 12.707 4.486 1.00 13.81 H new ATOM 350 N PHE 5 22 24.545 9.830 0.539 1.00 7.43 N ATOM 351 CA PHE 5 22 25.715 9.565 -0.375 1.00 6.76 C ATOM 352 C PHE 5 22 25.280 9.696 -1.842 1.00 7.20 C ATOM 353 O PHE 5 22 24.112 9.893 -2.137 1.00 7.41 O ATOM 354 CB PHE 5 22 26.246 8.148 -0.135 1.00 6.59 C ATOM 355 CG PHE 5 22 25.387 7.157 -0.888 1.00 7.76 C ATOM 356 CD1 PHE 5 22 24.077 6.919 -0.467 1.00 8.78 C ATOM 357 CD2 PHE 5 22 25.892 6.498 -2.017 1.00 8.47 C ATOM 358 CE1 PHE 5 22 23.266 6.022 -1.168 1.00 9.59 C ATOM 359 CE2 PHE 5 22 25.082 5.599 -2.727 1.00 9.15 C ATOM 360 CZ PHE 5 22 23.768 5.360 -2.301 1.00 9.79 C ATOM 0 H PHE 5 22 23.635 9.556 0.169 1.00 7.43 H new ATOM 0 HA PHE 5 22 26.497 10.294 -0.164 1.00 6.76 H new ATOM 0 HB2 PHE 5 22 27.282 8.075 -0.467 1.00 6.59 H new ATOM 0 HB3 PHE 5 22 26.236 7.919 0.931 1.00 6.59 H new ATOM 0 HD1 PHE 5 22 23.690 7.429 0.402 1.00 8.78 H new ATOM 0 HD2 PHE 5 22 26.906 6.682 -2.341 1.00 8.47 H new ATOM 0 HE1 PHE 5 22 22.254 5.838 -0.839 1.00 9.59 H new ATOM 0 HE2 PHE 5 22 25.469 5.093 -3.599 1.00 9.15 H new ATOM 0 HZ PHE 5 22 23.142 4.667 -2.844 1.00 9.79 H new ATOM 370 N TYR 5 23 26.214 9.613 -2.766 1.00 8.20 N ATOM 371 CA TYR 5 23 25.859 9.720 -4.229 1.00 7.28 C ATOM 372 C TYR 5 23 25.774 8.302 -4.820 1.00 7.57 C ATOM 373 O TYR 5 23 26.750 7.574 -4.815 1.00 8.16 O ATOM 374 CB TYR 5 23 26.960 10.485 -4.960 1.00 9.85 C ATOM 375 CG TYR 5 23 26.722 10.426 -6.456 1.00 9.96 C ATOM 376 CD1 TYR 5 23 25.603 11.057 -7.022 1.00 11.33 C ATOM 377 CD2 TYR 5 23 27.631 9.754 -7.281 1.00 10.97 C ATOM 378 CE1 TYR 5 23 25.405 11.014 -8.411 1.00 11.73 C ATOM 379 CE2 TYR 5 23 27.437 9.722 -8.669 1.00 11.27 C ATOM 380 CZ TYR 5 23 26.327 10.352 -9.233 1.00 11.91 C ATOM 381 OH TYR 5 23 26.155 10.338 -10.601 1.00 14.10 O ATOM 0 H TYR 5 23 27.206 9.476 -2.574 1.00 8.20 H new ATOM 0 HA TYR 5 23 24.907 10.239 -4.342 1.00 7.28 H new ATOM 0 HB2 TYR 5 23 26.977 11.522 -4.626 1.00 9.85 H new ATOM 0 HB3 TYR 5 23 27.933 10.057 -4.720 1.00 9.85 H new ATOM 0 HD1 TYR 5 23 24.896 11.574 -6.390 1.00 11.33 H new ATOM 0 HD2 TYR 5 23 28.486 9.258 -6.846 1.00 10.97 H new ATOM 0 HE1 TYR 5 23 24.540 11.492 -8.847 1.00 11.73 H new ATOM 0 HE2 TYR 5 23 28.147 9.210 -9.302 1.00 11.27 H new ATOM 0 HH TYR 5 23 25.358 10.857 -10.836 1.00 14.10 H new ATOM 391 N ASN 5 24 24.630 7.890 -5.326 1.00 7.53 N ATOM 392 CA ASN 5 24 24.517 6.507 -5.898 1.00 8.25 C ATOM 393 C ASN 5 24 24.940 6.517 -7.372 1.00 9.26 C ATOM 394 O ASN 5 24 24.152 6.775 -8.274 1.00 9.06 O ATOM 395 CB ASN 5 24 23.071 5.989 -5.757 1.00 9.60 C ATOM 396 CG ASN 5 24 23.011 4.515 -6.169 1.00 10.11 C ATOM 397 OD1 ASN 5 24 23.848 4.050 -6.925 1.00 13.10 O ATOM 398 ND2 ASN 5 24 22.052 3.761 -5.707 1.00 12.51 N ATOM 0 H ASN 5 24 23.777 8.448 -5.367 1.00 7.53 H new ATOM 0 HA ASN 5 24 25.179 5.839 -5.347 1.00 8.25 H new ATOM 0 HB2 ASN 5 24 22.732 6.103 -4.727 1.00 9.60 H new ATOM 0 HB3 ASN 5 24 22.400 6.579 -6.381 1.00 9.60 H new ATOM 0 HD21 ASN 5 24 22.000 2.779 -5.978 1.00 12.51 H new ATOM 0 HD22 ASN 5 24 21.354 4.154 -5.075 1.00 12.51 H new ATOM 405 N ALA 5 25 26.188 6.233 -7.627 1.00 10.90 N ATOM 406 CA ALA 5 25 26.677 6.253 -9.034 1.00 12.18 C ATOM 407 C ALA 5 25 26.085 5.067 -9.823 1.00 11.03 C ATOM 408 O ALA 5 25 26.224 4.995 -11.026 1.00 12.22 O ATOM 409 CB ALA 5 25 28.211 6.166 -9.048 1.00 11.38 C ATOM 0 H ALA 5 25 26.887 5.989 -6.925 1.00 10.90 H new ATOM 0 HA ALA 5 25 26.359 7.184 -9.504 1.00 12.18 H new ATOM 0 HB1 ALA 5 25 28.567 6.181 -10.078 1.00 11.38 H new ATOM 0 HB2 ALA 5 25 28.629 7.016 -8.508 1.00 11.38 H new ATOM 0 HB3 ALA 5 25 28.527 5.240 -8.568 1.00 11.38 H new ATOM 415 N LYS 5 26 25.401 4.155 -9.166 1.00 10.74 N ATOM 416 CA LYS 5 26 24.816 2.984 -9.893 1.00 13.89 C ATOM 417 C LYS 5 26 23.620 3.426 -10.748 1.00 13.64 C ATOM 418 O LYS 5 26 23.289 2.781 -11.723 1.00 15.07 O ATOM 419 CB LYS 5 26 24.354 1.933 -8.877 1.00 18.92 C ATOM 420 CG LYS 5 26 24.936 0.568 -9.254 1.00 23.44 C ATOM 421 CD LYS 5 26 24.163 0.007 -10.449 1.00 28.41 C ATOM 422 CE LYS 5 26 24.764 -1.326 -10.884 1.00 33.13 C ATOM 423 NZ LYS 5 26 23.970 -1.862 -12.027 1.00 36.26 N ATOM 0 H LYS 5 26 25.225 4.173 -8.162 1.00 10.74 H new ATOM 0 HA LYS 5 26 25.578 2.559 -10.546 1.00 13.89 H new ATOM 0 HB2 LYS 5 26 24.677 2.214 -7.875 1.00 18.92 H new ATOM 0 HB3 LYS 5 26 23.265 1.884 -8.858 1.00 18.92 H new ATOM 0 HG2 LYS 5 26 25.993 0.665 -9.502 1.00 23.44 H new ATOM 0 HG3 LYS 5 26 24.869 -0.116 -8.408 1.00 23.44 H new ATOM 0 HD2 LYS 5 26 23.115 -0.128 -10.183 1.00 28.41 H new ATOM 0 HD3 LYS 5 26 24.193 0.716 -11.277 1.00 28.41 H new ATOM 0 HE2 LYS 5 26 25.805 -1.192 -11.178 1.00 33.13 H new ATOM 0 HE3 LYS 5 26 24.755 -2.033 -10.054 1.00 33.13 H new ATOM 0 HZ1 LYS 5 26 24.371 -2.772 -12.332 1.00 36.26 H new ATOM 0 HZ2 LYS 5 26 22.983 -2.001 -11.729 1.00 36.26 H new ATOM 0 HZ3 LYS 5 26 24.001 -1.187 -12.818 1.00 36.26 H new ATOM 437 N ALA 5 27 22.963 4.500 -10.375 1.00 13.18 N ATOM 438 CA ALA 5 27 21.779 4.993 -11.169 1.00 11.76 C ATOM 439 C ALA 5 27 21.978 6.475 -11.522 1.00 10.74 C ATOM 440 O ALA 5 27 21.334 6.989 -12.412 1.00 11.30 O ATOM 441 CB ALA 5 27 20.491 4.828 -10.356 1.00 12.78 C ATOM 0 H ALA 5 27 23.192 5.061 -9.554 1.00 13.18 H new ATOM 0 HA ALA 5 27 21.697 4.407 -12.084 1.00 11.76 H new ATOM 0 HB1 ALA 5 27 19.644 5.187 -10.940 1.00 12.78 H new ATOM 0 HB2 ALA 5 27 20.345 3.775 -10.115 1.00 12.78 H new ATOM 0 HB3 ALA 5 27 20.567 5.404 -9.434 1.00 12.78 H new ATOM 447 N GLY 5 28 22.875 7.162 -10.856 1.00 9.60 N ATOM 448 CA GLY 5 28 23.127 8.605 -11.201 1.00 10.58 C ATOM 449 C GLY 5 28 22.235 9.504 -10.350 1.00 11.69 C ATOM 450 O GLY 5 28 21.667 10.465 -10.826 1.00 12.66 O ATOM 0 H GLY 5 28 23.442 6.793 -10.093 1.00 9.60 H new ATOM 0 HA2 GLY 5 28 24.175 8.851 -11.031 1.00 10.58 H new ATOM 0 HA3 GLY 5 28 22.927 8.776 -12.259 1.00 10.58 H new ATOM 454 N LEU 5 29 22.118 9.186 -9.089 1.00 11.42 N ATOM 455 CA LEU 5 29 21.271 10.011 -8.173 1.00 13.44 C ATOM 456 C LEU 5 29 21.748 9.803 -6.734 1.00 10.49 C ATOM 457 O LEU 5 29 22.283 8.779 -6.395 1.00 11.18 O ATOM 458 CB LEU 5 29 19.798 9.587 -8.291 1.00 15.84 C ATOM 459 CG LEU 5 29 18.906 10.824 -8.408 1.00 17.24 C ATOM 460 CD1 LEU 5 29 18.929 11.340 -9.848 1.00 18.29 C ATOM 461 CD2 LEU 5 29 17.472 10.449 -8.031 1.00 18.39 C ATOM 0 H LEU 5 29 22.574 8.386 -8.650 1.00 11.42 H new ATOM 0 HA LEU 5 29 21.358 11.062 -8.447 1.00 13.44 H new ATOM 0 HB2 LEU 5 29 19.664 8.948 -9.164 1.00 15.84 H new ATOM 0 HB3 LEU 5 29 19.509 9.001 -7.419 1.00 15.84 H new ATOM 0 HG LEU 5 29 19.274 11.601 -7.738 1.00 17.24 H new ATOM 0 HD11 LEU 5 29 18.293 12.221 -9.929 1.00 18.29 H new ATOM 0 HD12 LEU 5 29 19.950 11.603 -10.124 1.00 18.29 H new ATOM 0 HD13 LEU 5 29 18.560 10.564 -10.519 1.00 18.29 H new ATOM 0 HD21 LEU 5 29 16.833 11.328 -8.113 1.00 18.39 H new ATOM 0 HD22 LEU 5 29 17.110 9.673 -8.705 1.00 18.39 H new ATOM 0 HD23 LEU 5 29 17.450 10.079 -7.006 1.00 18.39 H new ATOM 473 N CYS 5 30 21.582 10.763 -5.893 1.00 10.45 N ATOM 474 CA CYS 5 30 22.046 10.600 -4.479 1.00 10.30 C ATOM 475 C CYS 5 30 21.050 9.729 -3.711 1.00 10.76 C ATOM 476 O CYS 5 30 19.913 9.571 -4.111 1.00 12.39 O ATOM 477 CB CYS 5 30 22.163 11.972 -3.800 1.00 10.60 C ATOM 478 SG CYS 5 30 23.430 12.960 -4.638 1.00 11.79 S ATOM 0 H CYS 5 30 21.147 11.660 -6.109 1.00 10.45 H new ATOM 0 HA CYS 5 30 23.025 10.121 -4.479 1.00 10.30 H new ATOM 0 HB2 CYS 5 30 21.204 12.488 -3.834 1.00 10.60 H new ATOM 0 HB3 CYS 5 30 22.421 11.848 -2.748 1.00 10.60 H new ATOM 483 N GLN 5 31 21.472 9.158 -2.613 1.00 8.79 N ATOM 484 CA GLN 5 31 20.551 8.298 -1.808 1.00 10.62 C ATOM 485 C GLN 5 31 20.994 8.309 -0.336 1.00 10.68 C ATOM 486 O GLN 5 31 21.922 8.992 0.034 1.00 10.44 O ATOM 487 CB GLN 5 31 20.551 6.869 -2.362 1.00 11.67 C ATOM 488 CG GLN 5 31 19.342 6.674 -3.290 1.00 13.65 C ATOM 489 CD GLN 5 31 19.768 5.887 -4.533 1.00 14.34 C ATOM 490 OE1 GLN 5 31 20.179 4.749 -4.438 1.00 15.59 O ATOM 491 NE2 GLN 5 31 19.699 6.449 -5.703 1.00 18.68 N ATOM 0 H GLN 5 31 22.416 9.250 -2.238 1.00 8.79 H new ATOM 0 HA GLN 5 31 19.536 8.691 -1.873 1.00 10.62 H new ATOM 0 HB2 GLN 5 31 21.475 6.680 -2.908 1.00 11.67 H new ATOM 0 HB3 GLN 5 31 20.513 6.151 -1.543 1.00 11.67 H new ATOM 0 HG2 GLN 5 31 18.550 6.141 -2.764 1.00 13.65 H new ATOM 0 HG3 GLN 5 31 18.936 7.642 -3.582 1.00 13.65 H new ATOM 0 HE21 GLN 5 31 19.355 7.405 -5.790 1.00 18.68 H new ATOM 0 HE22 GLN 5 31 19.989 5.934 -6.534 1.00 18.68 H new ATOM 500 N THR 5 32 20.311 7.574 0.485 1.00 11.66 N ATOM 501 CA THR 5 32 20.599 7.528 1.964 1.00 11.14 C ATOM 502 C THR 5 32 21.374 6.260 2.361 1.00 10.29 C ATOM 503 O THR 5 32 21.362 5.262 1.665 1.00 11.74 O ATOM 504 CB THR 5 32 19.257 7.504 2.702 1.00 11.90 C ATOM 505 OG1 THR 5 32 18.462 6.454 2.172 1.00 14.39 O ATOM 506 CG2 THR 5 32 18.523 8.835 2.515 1.00 13.60 C ATOM 0 H THR 5 32 19.536 6.978 0.195 1.00 11.66 H new ATOM 0 HA THR 5 32 21.204 8.397 2.223 1.00 11.14 H new ATOM 0 HB THR 5 32 19.435 7.346 3.766 1.00 11.90 H new ATOM 0 HG1 THR 5 32 17.601 6.428 2.639 1.00 14.39 H new ATOM 0 HG21 THR 5 32 17.571 8.803 3.045 1.00 13.60 H new ATOM 0 HG22 THR 5 32 19.133 9.646 2.913 1.00 13.60 H new ATOM 0 HG23 THR 5 32 18.342 9.005 1.454 1.00 13.60 H new ATOM 514 N PHE 5 33 22.058 6.304 3.479 1.00 9.22 N ATOM 515 CA PHE 5 33 22.837 5.112 3.917 1.00 9.74 C ATOM 516 C PHE 5 33 23.246 5.234 5.383 1.00 9.40 C ATOM 517 O PHE 5 33 22.817 6.128 6.078 1.00 10.22 O ATOM 518 CB PHE 5 33 24.071 4.953 3.049 1.00 9.26 C ATOM 519 CG PHE 5 33 25.189 5.847 3.519 1.00 9.20 C ATOM 520 CD1 PHE 5 33 25.146 7.218 3.245 1.00 10.04 C ATOM 521 CD2 PHE 5 33 26.316 5.289 4.128 1.00 10.68 C ATOM 522 CE1 PHE 5 33 26.228 8.032 3.597 1.00 10.37 C ATOM 523 CE2 PHE 5 33 27.411 6.099 4.453 1.00 8.91 C ATOM 524 CZ PHE 5 33 27.365 7.472 4.192 1.00 9.71 C ATOM 0 H PHE 5 33 22.108 7.111 4.101 1.00 9.22 H new ATOM 0 HA PHE 5 33 22.203 4.232 3.810 1.00 9.74 H new ATOM 0 HB2 PHE 5 33 24.401 3.914 3.068 1.00 9.26 H new ATOM 0 HB3 PHE 5 33 23.824 5.190 2.014 1.00 9.26 H new ATOM 0 HD1 PHE 5 33 24.280 7.647 2.763 1.00 10.04 H new ATOM 0 HD2 PHE 5 33 26.343 4.232 4.348 1.00 10.68 H new ATOM 0 HE1 PHE 5 33 26.186 9.095 3.409 1.00 10.37 H new ATOM 0 HE2 PHE 5 33 28.290 5.664 4.905 1.00 8.91 H new ATOM 0 HZ PHE 5 33 28.205 8.100 4.449 1.00 9.71 H new ATOM 534 N VAL 5 34 24.092 4.353 5.842 1.00 11.69 N ATOM 535 CA VAL 5 34 24.544 4.416 7.286 1.00 11.33 C ATOM 536 C VAL 5 34 26.079 4.503 7.386 1.00 10.54 C ATOM 537 O VAL 5 34 26.793 3.678 6.831 1.00 11.75 O ATOM 538 CB VAL 5 34 24.089 3.143 8.000 1.00 13.85 C ATOM 539 CG1 VAL 5 34 24.709 3.102 9.399 1.00 15.43 C ATOM 540 CG2 VAL 5 34 22.559 3.129 8.126 1.00 14.03 C ATOM 0 H VAL 5 34 24.495 3.593 5.294 1.00 11.69 H new ATOM 0 HA VAL 5 34 24.109 5.304 7.744 1.00 11.33 H new ATOM 0 HB VAL 5 34 24.409 2.275 7.424 1.00 13.85 H new ATOM 0 HG11 VAL 5 34 24.388 2.196 9.913 1.00 15.43 H new ATOM 0 HG12 VAL 5 34 25.796 3.106 9.316 1.00 15.43 H new ATOM 0 HG13 VAL 5 34 24.385 3.975 9.966 1.00 15.43 H new ATOM 0 HG21 VAL 5 34 22.244 2.218 8.636 1.00 14.03 H new ATOM 0 HG22 VAL 5 34 22.233 3.997 8.699 1.00 14.03 H new ATOM 0 HG23 VAL 5 34 22.112 3.162 7.132 1.00 14.03 H new ATOM 550 N TYR 5 35 26.593 5.461 8.137 1.00 8.67 N ATOM 551 CA TYR 5 35 28.077 5.572 8.311 1.00 8.52 C ATOM 552 C TYR 5 35 28.476 4.872 9.616 1.00 9.39 C ATOM 553 O TYR 5 35 27.781 4.955 10.614 1.00 10.05 O ATOM 554 CB TYR 5 35 28.477 7.051 8.393 1.00 9.40 C ATOM 555 CG TYR 5 35 29.955 7.211 8.742 1.00 9.39 C ATOM 556 CD1 TYR 5 35 30.923 6.336 8.215 1.00 9.35 C ATOM 557 CD2 TYR 5 35 30.361 8.256 9.580 1.00 9.32 C ATOM 558 CE1 TYR 5 35 32.278 6.511 8.521 1.00 9.35 C ATOM 559 CE2 TYR 5 35 31.721 8.428 9.887 1.00 9.94 C ATOM 560 CZ TYR 5 35 32.678 7.555 9.353 1.00 10.13 C ATOM 561 OH TYR 5 35 34.016 7.723 9.645 1.00 11.76 O ATOM 0 H TYR 5 35 26.046 6.165 8.633 1.00 8.67 H new ATOM 0 HA TYR 5 35 28.581 5.106 7.464 1.00 8.52 H new ATOM 0 HB2 TYR 5 35 28.272 7.538 7.440 1.00 9.40 H new ATOM 0 HB3 TYR 5 35 27.868 7.553 9.145 1.00 9.40 H new ATOM 0 HD1 TYR 5 35 30.619 5.524 7.571 1.00 9.35 H new ATOM 0 HD2 TYR 5 35 29.626 8.932 9.992 1.00 9.32 H new ATOM 0 HE1 TYR 5 35 33.015 5.836 8.111 1.00 9.35 H new ATOM 0 HE2 TYR 5 35 32.029 9.235 10.536 1.00 9.94 H new ATOM 0 HH TYR 5 35 34.108 8.250 10.466 1.00 11.76 H new ATOM 571 N GLY 5 36 29.582 4.173 9.615 1.00 9.59 N ATOM 572 CA GLY 5 36 30.023 3.476 10.850 1.00 9.91 C ATOM 573 C GLY 5 36 30.597 4.495 11.836 1.00 9.25 C ATOM 574 O GLY 5 36 30.386 4.393 13.027 1.00 9.95 O ATOM 0 H GLY 5 36 30.196 4.057 8.809 1.00 9.59 H new ATOM 0 HA2 GLY 5 36 29.183 2.950 11.303 1.00 9.91 H new ATOM 0 HA3 GLY 5 36 30.775 2.726 10.607 1.00 9.91 H new ATOM 578 N GLY 5 37 31.303 5.487 11.351 1.00 8.45 N ATOM 579 CA GLY 5 37 31.915 6.522 12.279 1.00 10.39 C ATOM 580 C GLY 5 37 33.416 6.606 12.011 1.00 10.61 C ATOM 581 O GLY 5 37 34.043 7.603 12.306 1.00 13.37 O ATOM 0 H GLY 5 37 31.488 5.635 10.359 1.00 8.45 H new ATOM 0 HA2 GLY 5 37 31.449 7.494 12.118 1.00 10.39 H new ATOM 0 HA3 GLY 5 37 31.733 6.250 13.319 1.00 10.39 H new ATOM 585 N CYS 5 38 34.011 5.547 11.511 1.00 10.95 N ATOM 586 CA CYS 5 38 35.505 5.558 11.269 1.00 11.65 C ATOM 587 C CYS 5 38 35.848 5.090 9.841 1.00 12.05 C ATOM 588 O CYS 5 38 35.188 4.239 9.271 1.00 11.60 O ATOM 589 CB CYS 5 38 36.177 4.607 12.266 1.00 12.40 C ATOM 590 SG CYS 5 38 35.406 2.972 12.159 1.00 12.21 S ATOM 0 H CYS 5 38 33.538 4.679 11.260 1.00 10.95 H new ATOM 0 HA CYS 5 38 35.863 6.580 11.396 1.00 11.65 H new ATOM 0 HB2 CYS 5 38 37.243 4.532 12.051 1.00 12.40 H new ATOM 0 HB3 CYS 5 38 36.083 4.999 13.279 1.00 12.40 H new ATOM 595 N ARG 5 39 36.904 5.621 9.288 1.00 12.46 N ATOM 596 CA ARG 5 39 37.347 5.221 7.943 1.00 14.63 C ATOM 597 C ARG 5 39 36.281 5.507 6.889 1.00 12.13 C ATOM 598 O ARG 5 39 35.922 4.645 6.105 1.00 13.93 O ATOM 599 CB ARG 5 39 37.721 3.735 7.938 1.00 18.16 C ATOM 600 CG ARG 5 39 39.061 3.549 8.654 1.00 22.63 C ATOM 601 CD ARG 5 39 39.957 2.627 7.831 1.00 26.10 C ATOM 602 NE ARG 5 39 41.353 2.715 8.357 1.00 30.83 N ATOM 603 CZ ARG 5 39 42.250 1.847 8.000 1.00 32.34 C ATOM 604 NH1 ARG 5 39 41.952 0.920 7.148 1.00 33.57 N ATOM 605 NH2 ARG 5 39 43.448 1.919 8.492 1.00 33.18 N ATOM 0 H ARG 5 39 37.485 6.332 9.732 1.00 12.46 H new ATOM 0 HA ARG 5 39 38.225 5.814 7.687 1.00 14.63 H new ATOM 0 HB2 ARG 5 39 36.946 3.151 8.435 1.00 18.16 H new ATOM 0 HB3 ARG 5 39 37.789 3.369 6.914 1.00 18.16 H new ATOM 0 HG2 ARG 5 39 39.547 4.515 8.795 1.00 22.63 H new ATOM 0 HG3 ARG 5 39 38.900 3.126 9.646 1.00 22.63 H new ATOM 0 HD2 ARG 5 39 39.596 1.600 7.889 1.00 26.10 H new ATOM 0 HD3 ARG 5 39 39.931 2.915 6.780 1.00 26.10 H new ATOM 0 HE ARG 5 39 41.603 3.464 9.003 1.00 30.83 H new ATOM 0 HH11 ARG 5 39 41.012 0.871 6.756 1.00 33.57 H new ATOM 0 HH12 ARG 5 39 42.658 0.239 6.868 1.00 33.57 H new ATOM 0 HH21 ARG 5 39 43.683 2.656 9.157 1.00 33.18 H new ATOM 0 HH22 ARG 5 39 44.155 1.239 8.214 1.00 33.18 H new ATOM 619 N ALA 5 40 35.762 6.700 6.873 1.00 11.13 N ATOM 620 CA ALA 5 40 34.703 7.046 5.870 1.00 12.22 C ATOM 621 C ALA 5 40 35.374 7.271 4.506 1.00 13.37 C ATOM 622 O ALA 5 40 36.555 7.060 4.365 1.00 14.12 O ATOM 623 CB ALA 5 40 33.993 8.329 6.316 1.00 11.96 C ATOM 0 H ALA 5 40 36.021 7.455 7.508 1.00 11.13 H new ATOM 0 HA ALA 5 40 33.974 6.239 5.792 1.00 12.22 H new ATOM 0 HB1 ALA 5 40 33.221 8.588 5.592 1.00 11.96 H new ATOM 0 HB2 ALA 5 40 33.536 8.171 7.293 1.00 11.96 H new ATOM 0 HB3 ALA 5 40 34.717 9.142 6.381 1.00 11.96 H new ATOM 629 N LYS 5 41 34.639 7.655 3.510 1.00 12.73 N ATOM 630 CA LYS 5 41 35.253 7.886 2.149 1.00 12.34 C ATOM 631 C LYS 5 41 34.754 9.223 1.549 1.00 11.42 C ATOM 632 O LYS 5 41 34.115 10.017 2.220 1.00 12.35 O ATOM 633 CB LYS 5 41 34.901 6.711 1.231 1.00 15.66 C ATOM 634 CG LYS 5 41 35.401 5.400 1.859 1.00 17.23 C ATOM 635 CD LYS 5 41 36.937 5.395 1.929 1.00 21.83 C ATOM 636 CE LYS 5 41 37.405 4.355 2.957 1.00 24.86 C ATOM 637 NZ LYS 5 41 37.386 4.951 4.333 1.00 26.80 N ATOM 0 H LYS 5 41 33.634 7.824 3.564 1.00 12.73 H new ATOM 0 HA LYS 5 41 36.337 7.950 2.246 1.00 12.34 H new ATOM 0 HB2 LYS 5 41 33.823 6.665 1.079 1.00 15.66 H new ATOM 0 HB3 LYS 5 41 35.356 6.853 0.251 1.00 15.66 H new ATOM 0 HG2 LYS 5 41 34.984 5.286 2.860 1.00 17.23 H new ATOM 0 HG3 LYS 5 41 35.054 4.551 1.270 1.00 17.23 H new ATOM 0 HD2 LYS 5 41 37.355 5.165 0.949 1.00 21.83 H new ATOM 0 HD3 LYS 5 41 37.301 6.384 2.206 1.00 21.83 H new ATOM 0 HE2 LYS 5 41 36.757 3.479 2.922 1.00 24.86 H new ATOM 0 HE3 LYS 5 41 38.412 4.017 2.712 1.00 24.86 H new ATOM 0 HZ1 LYS 5 41 38.341 4.910 4.742 1.00 26.80 H new ATOM 0 HZ2 LYS 5 41 37.075 5.942 4.278 1.00 26.80 H new ATOM 0 HZ3 LYS 5 41 36.728 4.415 4.934 1.00 26.80 H new ATOM 651 N ARG 5 42 35.086 9.508 0.306 1.00 9.56 N ATOM 652 CA ARG 5 42 34.648 10.807 -0.310 1.00 9.93 C ATOM 653 C ARG 5 42 33.139 10.809 -0.514 1.00 7.40 C ATOM 654 O ARG 5 42 32.471 11.786 -0.235 1.00 9.71 O ATOM 655 CB ARG 5 42 35.318 11.034 -1.681 1.00 10.35 C ATOM 656 CG ARG 5 42 36.673 11.719 -1.474 1.00 13.91 C ATOM 657 CD ARG 5 42 37.112 12.443 -2.753 1.00 15.78 C ATOM 658 NE ARG 5 42 38.419 13.121 -2.477 1.00 21.96 N ATOM 659 CZ ARG 5 42 39.135 13.610 -3.447 1.00 24.68 C ATOM 660 NH1 ARG 5 42 38.692 13.582 -4.660 1.00 26.22 N ATOM 661 NH2 ARG 5 42 40.288 14.143 -3.195 1.00 25.19 N ATOM 0 H ARG 5 42 35.636 8.902 -0.303 1.00 9.56 H new ATOM 0 HA ARG 5 42 34.943 11.604 0.372 1.00 9.93 H new ATOM 0 HB2 ARG 5 42 35.453 10.082 -2.195 1.00 10.35 H new ATOM 0 HB3 ARG 5 42 34.679 11.650 -2.314 1.00 10.35 H new ATOM 0 HG2 ARG 5 42 36.605 12.431 -0.652 1.00 13.91 H new ATOM 0 HG3 ARG 5 42 37.422 10.979 -1.193 1.00 13.91 H new ATOM 0 HD2 ARG 5 42 37.216 11.735 -3.575 1.00 15.78 H new ATOM 0 HD3 ARG 5 42 36.361 13.173 -3.055 1.00 15.78 H new ATOM 0 HE ARG 5 42 38.752 13.200 -1.516 1.00 21.96 H new ATOM 0 HH11 ARG 5 42 37.778 13.176 -4.860 1.00 26.22 H new ATOM 0 HH12 ARG 5 42 39.256 13.966 -5.418 1.00 26.22 H new ATOM 0 HH21 ARG 5 42 40.634 14.179 -2.236 1.00 25.19 H new ATOM 0 HH22 ARG 5 42 40.850 14.526 -3.955 1.00 25.19 H new ATOM 675 N ASN 5 43 32.602 9.743 -1.039 1.00 7.80 N ATOM 676 CA ASN 5 43 31.127 9.673 -1.265 1.00 7.75 C ATOM 677 C ASN 5 43 30.479 9.811 0.117 1.00 7.34 C ATOM 678 O ASN 5 43 30.291 8.835 0.819 1.00 7.64 O ATOM 679 CB ASN 5 43 30.778 8.299 -1.858 1.00 8.94 C ATOM 680 CG ASN 5 43 29.574 8.388 -2.787 1.00 8.97 C ATOM 681 OD1 ASN 5 43 28.642 9.133 -2.551 1.00 9.17 O ATOM 682 ND2 ASN 5 43 29.542 7.628 -3.841 1.00 10.14 N ATOM 0 H ASN 5 43 33.122 8.913 -1.323 1.00 7.80 H new ATOM 0 HA ASN 5 43 30.781 10.449 -1.948 1.00 7.75 H new ATOM 0 HB2 ASN 5 43 31.635 7.909 -2.406 1.00 8.94 H new ATOM 0 HB3 ASN 5 43 30.568 7.595 -1.052 1.00 8.94 H new ATOM 0 HD21 ASN 5 43 28.737 7.658 -4.467 1.00 10.14 H new ATOM 0 HD22 ASN 5 43 30.322 7.002 -4.042 1.00 10.14 H new ATOM 689 N ASN 5 44 30.234 11.011 0.567 1.00 7.27 N ATOM 690 CA ASN 5 44 29.654 11.185 1.939 1.00 8.28 C ATOM 691 C ASN 5 44 29.014 12.581 2.057 1.00 7.79 C ATOM 692 O ASN 5 44 29.628 13.585 1.753 1.00 9.89 O ATOM 693 CB ASN 5 44 30.769 11.035 2.993 1.00 9.05 C ATOM 694 CG ASN 5 44 30.149 10.863 4.381 1.00 10.15 C ATOM 695 OD1 ASN 5 44 29.444 11.733 4.852 1.00 11.10 O ATOM 696 ND2 ASN 5 44 30.388 9.781 5.068 1.00 10.18 N ATOM 0 H ASN 5 44 30.407 11.875 0.053 1.00 7.27 H new ATOM 0 HA ASN 5 44 28.892 10.424 2.109 1.00 8.28 H new ATOM 0 HB2 ASN 5 44 31.394 10.175 2.755 1.00 9.05 H new ATOM 0 HB3 ASN 5 44 31.416 11.912 2.979 1.00 9.05 H new ATOM 0 HD21 ASN 5 44 29.984 9.667 5.997 1.00 10.18 H new ATOM 0 HD22 ASN 5 44 30.979 9.048 4.676 1.00 10.18 H new ATOM 703 N PHE 5 45 27.773 12.642 2.482 1.00 7.78 N ATOM 704 CA PHE 5 45 27.075 13.954 2.620 1.00 9.51 C ATOM 705 C PHE 5 45 26.165 13.919 3.849 1.00 10.10 C ATOM 706 O PHE 5 45 25.950 12.873 4.446 1.00 9.63 O ATOM 707 CB PHE 5 45 26.243 14.221 1.361 1.00 11.02 C ATOM 708 CG PHE 5 45 27.189 14.381 0.203 1.00 10.38 C ATOM 709 CD1 PHE 5 45 27.894 15.575 0.053 1.00 11.42 C ATOM 710 CD2 PHE 5 45 27.389 13.331 -0.692 1.00 11.42 C ATOM 711 CE1 PHE 5 45 28.799 15.724 -0.993 1.00 11.73 C ATOM 712 CE2 PHE 5 45 28.300 13.480 -1.746 1.00 10.82 C ATOM 713 CZ PHE 5 45 29.002 14.679 -1.892 1.00 11.68 C ATOM 0 H PHE 5 45 27.212 11.830 2.740 1.00 7.78 H new ATOM 0 HA PHE 5 45 27.809 14.751 2.741 1.00 9.51 H new ATOM 0 HB2 PHE 5 45 25.553 13.397 1.178 1.00 11.02 H new ATOM 0 HB3 PHE 5 45 25.639 15.120 1.487 1.00 11.02 H new ATOM 0 HD1 PHE 5 45 27.737 16.385 0.750 1.00 11.42 H new ATOM 0 HD2 PHE 5 45 26.844 12.406 -0.573 1.00 11.42 H new ATOM 0 HE1 PHE 5 45 29.344 16.649 -1.108 1.00 11.73 H new ATOM 0 HE2 PHE 5 45 28.459 12.671 -2.443 1.00 10.82 H new ATOM 0 HZ PHE 5 45 29.704 14.796 -2.704 1.00 11.68 H new ATOM 723 N LYS 5 46 25.632 15.050 4.243 1.00 13.15 N ATOM 724 CA LYS 5 46 24.742 15.069 5.435 1.00 15.31 C ATOM 725 C LYS 5 46 23.283 15.223 4.997 1.00 14.98 C ATOM 726 O LYS 5 46 22.381 14.879 5.729 1.00 16.56 O ATOM 727 CB LYS 5 46 25.141 16.228 6.358 1.00 17.44 C ATOM 728 CG LYS 5 46 24.748 17.566 5.721 1.00 19.58 C ATOM 729 CD LYS 5 46 25.104 18.718 6.672 1.00 22.85 C ATOM 730 CE LYS 5 46 26.179 19.602 6.034 1.00 24.99 C ATOM 731 NZ LYS 5 46 27.523 19.011 6.304 1.00 27.16 N ATOM 0 H LYS 5 46 25.776 15.953 3.791 1.00 13.15 H new ATOM 0 HA LYS 5 46 24.848 14.129 5.977 1.00 15.31 H new ATOM 0 HB2 LYS 5 46 24.651 16.119 7.325 1.00 17.44 H new ATOM 0 HB3 LYS 5 46 26.215 16.205 6.541 1.00 17.44 H new ATOM 0 HG2 LYS 5 46 25.266 17.693 4.771 1.00 19.58 H new ATOM 0 HG3 LYS 5 46 23.680 17.577 5.505 1.00 19.58 H new ATOM 0 HD2 LYS 5 46 24.215 19.310 6.890 1.00 22.85 H new ATOM 0 HD3 LYS 5 46 25.463 18.321 7.621 1.00 22.85 H new ATOM 0 HE2 LYS 5 46 26.012 19.681 4.960 1.00 24.99 H new ATOM 0 HE3 LYS 5 46 26.124 20.612 6.440 1.00 24.99 H new ATOM 0 HZ1 LYS 5 46 28.258 19.608 5.873 1.00 27.16 H new ATOM 0 HZ2 LYS 5 46 27.679 18.958 7.331 1.00 27.16 H new ATOM 0 HZ3 LYS 5 46 27.570 18.055 5.897 1.00 27.16 H new ATOM 745 N SER 5 47 23.056 15.770 3.831 1.00 15.47 N ATOM 746 CA SER 5 47 21.660 15.943 3.323 1.00 15.09 C ATOM 747 C SER 5 47 21.636 15.594 1.833 1.00 14.56 C ATOM 748 O SER 5 47 22.646 15.667 1.139 1.00 13.03 O ATOM 749 CB SER 5 47 21.196 17.397 3.495 1.00 15.63 C ATOM 750 OG SER 5 47 21.577 18.154 2.344 1.00 16.91 O ATOM 0 H SER 5 47 23.785 16.108 3.202 1.00 15.47 H new ATOM 0 HA SER 5 47 20.994 15.291 3.888 1.00 15.09 H new ATOM 0 HB2 SER 5 47 20.114 17.433 3.626 1.00 15.63 H new ATOM 0 HB3 SER 5 47 21.640 17.829 4.392 1.00 15.63 H new ATOM 0 HG SER 5 47 22.063 18.957 2.627 1.00 16.91 H new ATOM 756 N ALA 5 48 20.491 15.215 1.331 1.00 14.50 N ATOM 757 CA ALA 5 48 20.378 14.878 -0.120 1.00 15.49 C ATOM 758 C ALA 5 48 20.604 16.159 -0.925 1.00 14.13 C ATOM 759 O ALA 5 48 21.189 16.133 -1.998 1.00 13.28 O ATOM 760 CB ALA 5 48 18.982 14.329 -0.415 1.00 16.34 C ATOM 0 H ALA 5 48 19.626 15.124 1.864 1.00 14.50 H new ATOM 0 HA ALA 5 48 21.117 14.124 -0.390 1.00 15.49 H new ATOM 0 HB1 ALA 5 48 18.904 14.084 -1.474 1.00 16.34 H new ATOM 0 HB2 ALA 5 48 18.811 13.431 0.178 1.00 16.34 H new ATOM 0 HB3 ALA 5 48 18.234 15.080 -0.160 1.00 16.34 H new ATOM 766 N GLU 5 49 20.111 17.259 -0.414 1.00 14.30 N ATOM 767 CA GLU 5 49 20.336 18.563 -1.078 1.00 16.73 C ATOM 768 C GLU 5 49 21.855 18.734 -1.239 1.00 14.46 C ATOM 769 O GLU 5 49 22.360 19.007 -2.317 1.00 14.56 O ATOM 770 CB GLU 5 49 19.811 19.703 -0.187 1.00 21.56 C ATOM 771 CG GLU 5 49 18.313 19.555 0.145 1.00 26.75 C ATOM 772 CD GLU 5 49 17.930 18.154 0.457 1.00 29.54 C ATOM 773 OE1 GLU 5 49 18.311 17.673 1.504 1.00 34.26 O ATOM 774 OE2 GLU 5 49 17.239 17.562 -0.344 1.00 32.40 O ATOM 0 H GLU 5 49 19.559 17.302 0.442 1.00 14.30 H new ATOM 0 HA GLU 5 49 19.821 18.593 -2.038 1.00 16.73 H new ATOM 0 HB2 GLU 5 49 20.384 19.728 0.740 1.00 21.56 H new ATOM 0 HB3 GLU 5 49 19.976 20.656 -0.689 1.00 21.56 H new ATOM 0 HG2 GLU 5 49 18.069 20.192 0.995 1.00 26.75 H new ATOM 0 HG3 GLU 5 49 17.721 19.910 -0.699 1.00 26.75 H new ATOM 781 N ASP 5 50 22.583 18.516 -0.168 1.00 14.10 N ATOM 782 CA ASP 5 50 24.076 18.624 -0.200 1.00 13.93 C ATOM 783 C ASP 5 50 24.678 17.749 -1.305 1.00 11.78 C ATOM 784 O ASP 5 50 25.428 18.213 -2.150 1.00 12.10 O ATOM 785 CB ASP 5 50 24.633 18.167 1.155 1.00 18.61 C ATOM 786 CG ASP 5 50 24.633 19.331 2.121 1.00 25.48 C ATOM 787 OD1 ASP 5 50 23.557 19.714 2.544 1.00 29.01 O ATOM 788 OD2 ASP 5 50 25.712 19.836 2.402 1.00 27.88 O ATOM 0 H ASP 5 50 22.197 18.264 0.742 1.00 14.10 H new ATOM 0 HA ASP 5 50 24.342 19.661 -0.402 1.00 13.93 H new ATOM 0 HB2 ASP 5 50 24.028 17.352 1.552 1.00 18.61 H new ATOM 0 HB3 ASP 5 50 25.646 17.783 1.033 1.00 18.61 H new ATOM 793 N CYS 5 51 24.390 16.473 -1.286 1.00 10.22 N ATOM 794 CA CYS 5 51 24.970 15.546 -2.315 1.00 10.57 C ATOM 795 C CYS 5 51 24.540 15.951 -3.736 1.00 11.23 C ATOM 796 O CYS 5 51 25.323 15.884 -4.678 1.00 11.33 O ATOM 797 CB CYS 5 51 24.479 14.124 -2.028 1.00 9.71 C ATOM 798 SG CYS 5 51 24.995 13.003 -3.355 1.00 10.82 S ATOM 0 H CYS 5 51 23.777 16.028 -0.602 1.00 10.22 H new ATOM 0 HA CYS 5 51 26.057 15.599 -2.259 1.00 10.57 H new ATOM 0 HB2 CYS 5 51 24.879 13.779 -1.075 1.00 9.71 H new ATOM 0 HB3 CYS 5 51 23.393 14.118 -1.939 1.00 9.71 H new ATOM 803 N MET 5 52 23.308 16.356 -3.909 1.00 12.19 N ATOM 804 CA MET 5 52 22.820 16.735 -5.274 1.00 15.04 C ATOM 805 C MET 5 52 23.538 18.001 -5.764 1.00 15.23 C ATOM 806 O MET 5 52 24.032 18.061 -6.880 1.00 16.42 O ATOM 807 CB MET 5 52 21.313 16.992 -5.203 1.00 16.60 C ATOM 808 CG MET 5 52 20.578 15.657 -5.045 1.00 19.07 C ATOM 809 SD MET 5 52 20.944 14.597 -6.466 1.00 21.60 S ATOM 810 CE MET 5 52 19.433 14.943 -7.397 1.00 20.98 C ATOM 0 H MET 5 52 22.616 16.441 -3.164 1.00 12.19 H new ATOM 0 HA MET 5 52 23.030 15.925 -5.973 1.00 15.04 H new ATOM 0 HB2 MET 5 52 21.084 17.648 -4.363 1.00 16.60 H new ATOM 0 HB3 MET 5 52 20.976 17.501 -6.106 1.00 16.60 H new ATOM 0 HG2 MET 5 52 20.887 15.166 -4.122 1.00 19.07 H new ATOM 0 HG3 MET 5 52 19.504 15.827 -4.971 1.00 19.07 H new ATOM 0 HE1 MET 5 52 19.445 14.382 -8.331 1.00 20.98 H new ATOM 0 HE2 MET 5 52 18.566 14.647 -6.807 1.00 20.98 H new ATOM 0 HE3 MET 5 52 19.376 16.009 -7.615 1.00 20.98 H new ATOM 820 N ARG 5 53 23.615 18.998 -4.925 1.00 17.25 N ATOM 821 CA ARG 5 53 24.292 20.275 -5.300 1.00 19.58 C ATOM 822 C ARG 5 53 25.819 20.092 -5.382 1.00 19.14 C ATOM 823 O ARG 5 53 26.500 20.860 -6.030 1.00 18.79 O ATOM 824 CB ARG 5 53 23.929 21.332 -4.233 1.00 21.70 C ATOM 825 CG ARG 5 53 25.123 22.252 -3.917 1.00 24.59 C ATOM 826 CD ARG 5 53 26.014 21.589 -2.856 1.00 26.49 C ATOM 827 NE ARG 5 53 25.500 21.920 -1.492 1.00 30.03 N ATOM 828 CZ ARG 5 53 25.897 21.253 -0.443 1.00 30.47 C ATOM 829 NH1 ARG 5 53 26.775 20.301 -0.546 1.00 30.70 N ATOM 830 NH2 ARG 5 53 25.407 21.535 0.723 1.00 31.82 N ATOM 0 H ARG 5 53 23.231 18.982 -3.980 1.00 17.25 H new ATOM 0 HA ARG 5 53 23.956 20.597 -6.286 1.00 19.58 H new ATOM 0 HB2 ARG 5 53 23.090 21.932 -4.585 1.00 21.70 H new ATOM 0 HB3 ARG 5 53 23.603 20.832 -3.321 1.00 21.70 H new ATOM 0 HG2 ARG 5 53 25.698 22.443 -4.823 1.00 24.59 H new ATOM 0 HG3 ARG 5 53 24.767 23.217 -3.557 1.00 24.59 H new ATOM 0 HD2 ARG 5 53 26.025 20.509 -2.999 1.00 26.49 H new ATOM 0 HD3 ARG 5 53 27.042 21.935 -2.962 1.00 26.49 H new ATOM 0 HE ARG 5 53 24.828 22.679 -1.379 1.00 30.03 H new ATOM 0 HH11 ARG 5 53 27.166 20.064 -1.458 1.00 30.70 H new ATOM 0 HH12 ARG 5 53 27.073 19.790 0.285 1.00 30.70 H new ATOM 0 HH21 ARG 5 53 24.713 22.276 0.819 1.00 31.82 H new ATOM 0 HH22 ARG 5 53 25.715 21.016 1.545 1.00 31.82 H new ATOM 844 N THR 5 54 26.370 19.108 -4.721 1.00 16.27 N ATOM 845 CA THR 5 54 27.855 18.938 -4.748 1.00 15.50 C ATOM 846 C THR 5 54 28.302 17.856 -5.744 1.00 14.44 C ATOM 847 O THR 5 54 29.070 18.118 -6.645 1.00 14.74 O ATOM 848 CB THR 5 54 28.355 18.582 -3.335 1.00 16.69 C ATOM 849 OG1 THR 5 54 27.521 19.209 -2.356 1.00 17.09 O ATOM 850 CG2 THR 5 54 29.794 19.075 -3.161 1.00 16.12 C ATOM 0 H THR 5 54 25.862 18.419 -4.167 1.00 16.27 H new ATOM 0 HA THR 5 54 28.289 19.882 -5.078 1.00 15.50 H new ATOM 0 HB THR 5 54 28.320 17.500 -3.205 1.00 16.69 H new ATOM 0 HG1 THR 5 54 26.802 18.595 -2.097 1.00 17.09 H new ATOM 0 HG21 THR 5 54 30.147 18.823 -2.161 1.00 16.12 H new ATOM 0 HG22 THR 5 54 30.434 18.598 -3.903 1.00 16.12 H new ATOM 0 HG23 THR 5 54 29.827 20.156 -3.295 1.00 16.12 H new ATOM 858 N CYS 5 55 27.876 16.635 -5.568 1.00 12.64 N ATOM 859 CA CYS 5 55 28.319 15.538 -6.485 1.00 14.57 C ATOM 860 C CYS 5 55 27.292 15.379 -7.577 1.00 16.68 C ATOM 861 O CYS 5 55 27.623 15.273 -8.749 1.00 17.00 O ATOM 862 CB CYS 5 55 28.413 14.227 -5.702 1.00 13.88 C ATOM 863 SG CYS 5 55 28.389 12.841 -6.861 1.00 13.03 S ATOM 0 H CYS 5 55 27.238 16.346 -4.827 1.00 12.64 H new ATOM 0 HA CYS 5 55 29.293 15.782 -6.910 1.00 14.57 H new ATOM 0 HB2 CYS 5 55 29.329 14.207 -5.111 1.00 13.88 H new ATOM 0 HB3 CYS 5 55 27.581 14.146 -5.003 1.00 13.88 H new ATOM 868 N GLY 5 56 26.041 15.374 -7.206 1.00 22.23 N ATOM 869 CA GLY 5 56 24.974 15.214 -8.232 1.00 26.06 C ATOM 870 C GLY 5 56 25.159 16.292 -9.304 1.00 29.57 C ATOM 871 O GLY 5 56 25.664 16.021 -10.383 1.00 31.26 O ATOM 0 H GLY 5 56 25.714 15.473 -6.245 1.00 22.23 H new ATOM 0 HA2 GLY 5 56 25.027 14.222 -8.681 1.00 26.06 H new ATOM 0 HA3 GLY 5 56 23.990 15.304 -7.771 1.00 26.06 H new ATOM 875 N GLY 5 57 24.737 17.506 -9.033 1.00 36.75 N ATOM 876 CA GLY 5 57 24.874 18.598 -10.049 1.00 40.04 C ATOM 877 C GLY 5 57 24.010 18.260 -11.273 1.00 43.19 C ATOM 878 O GLY 5 57 23.228 19.071 -11.732 1.00 44.36 O ATOM 0 H GLY 5 57 24.304 17.787 -8.153 1.00 36.75 H new ATOM 0 HA2 GLY 5 57 24.562 19.551 -9.621 1.00 40.04 H new ATOM 0 HA3 GLY 5 57 25.917 18.707 -10.344 1.00 40.04 H new ATOM 882 N ALA 5 58 24.135 17.061 -11.784 1.00 46.32 N ATOM 883 CA ALA 5 58 23.339 16.648 -12.979 1.00 46.11 C ATOM 884 C ALA 5 58 23.673 15.187 -13.342 1.00 47.14 C ATOM 885 O ALA 5 58 23.971 14.423 -12.439 1.00 47.19 O ATOM 886 CB ALA 5 58 23.693 17.568 -14.157 1.00 45.68 C ATOM 887 OXT ALA 5 58 23.633 14.853 -14.516 1.00 48.98 O ATOM 0 H ALA 5 58 24.762 16.343 -11.420 1.00 46.32 H new ATOM 0 HA ALA 5 58 22.274 16.726 -12.759 1.00 46.11 H new ATOM 0 HB1 ALA 5 58 23.117 17.274 -15.034 1.00 45.68 H new ATOM 0 HB2 ALA 5 58 23.457 18.600 -13.897 1.00 45.68 H new ATOM 0 HB3 ALA 5 58 24.757 17.484 -14.377 1.00 45.68 H new