USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 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= -0.256 K(o=0.72,f=-15!) USER MOD Set 1.2: 5 31 GLN : amide:sc= 0.975 K(o=0.72,f=-15) USER MOD Single : 5 1 ARG N :NH3+ -113:sc= -1.75! (180deg=-6.62!) USER MOD Single : 5 10 TYR OH : rot 180:sc= 0 USER MOD Single : 5 11 THR OG1 : rot -78:sc= 1.27 USER MOD Single : 5 15 LYS NZ :NH3+ -146:sc= -2.33! (180deg=-7.96!) USER MOD Single : 5 21 TYR OH : rot 180:sc= 0 USER MOD Single : 5 23 TYR OH : rot 180:sc= -0.494 USER MOD Single : 5 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 5 32 THR OG1 : rot 180:sc= 0.00362 USER MOD Single : 5 35 TYR OH : rot -155:sc= -0.812 USER MOD Single : 5 41 LYS NZ :NH3+ -119:sc= -0.303! (180deg=-5.5!) USER MOD Single : 5 43 ASN : amide:sc= 2.37 K(o=2.4,f=-10!) USER MOD Single : 5 44 ASN : amide:sc= 0.841 K(o=0.84,f=-7.2!) USER MOD Single : 5 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 5 47 SER OG : rot -128:sc= 2.24 USER MOD Single : 5 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 5 54 THR OG1 : rot 98:sc= -4.08! USER MOD ----------------------------------------------------------------- ATOM 1 N ARG 5 1 28.482 14.658 -11.244 1.00 28.28 N ATOM 2 CA ARG 5 1 29.069 13.391 -10.713 1.00 27.90 C ATOM 3 C ARG 5 1 30.583 13.333 -11.005 1.00 24.90 C ATOM 4 O ARG 5 1 31.044 12.425 -11.668 1.00 24.44 O ATOM 5 CB ARG 5 1 28.379 12.198 -11.392 1.00 27.88 C ATOM 6 CG ARG 5 1 28.438 12.379 -12.916 1.00 29.61 C ATOM 7 CD ARG 5 1 27.912 11.134 -13.632 1.00 31.91 C ATOM 8 NE ARG 5 1 26.926 11.569 -14.674 1.00 33.51 N ATOM 9 CZ ARG 5 1 25.959 12.389 -14.369 1.00 34.29 C ATOM 10 NH1 ARG 5 1 25.611 12.566 -13.138 1.00 35.44 N ATOM 11 NH2 ARG 5 1 25.290 12.975 -15.302 1.00 34.48 N ATOM 0 H1 ARG 5 1 28.168 15.254 -10.452 1.00 28.28 H new ATOM 0 H2 ARG 5 1 29.200 15.168 -11.798 1.00 28.28 H new ATOM 0 H3 ARG 5 1 27.669 14.435 -11.853 1.00 28.28 H new ATOM 0 HA ARG 5 1 28.917 13.354 -9.634 1.00 27.90 H new ATOM 0 HB2 ARG 5 1 28.870 11.268 -11.105 1.00 27.88 H new ATOM 0 HB3 ARG 5 1 27.342 12.127 -11.062 1.00 27.88 H new ATOM 0 HG2 ARG 5 1 27.847 13.248 -13.207 1.00 29.61 H new ATOM 0 HG3 ARG 5 1 29.465 12.574 -13.224 1.00 29.61 H new ATOM 0 HD2 ARG 5 1 28.734 10.586 -14.093 1.00 31.91 H new ATOM 0 HD3 ARG 5 1 27.438 10.459 -12.920 1.00 31.91 H new ATOM 0 HE ARG 5 1 27.012 11.221 -15.629 1.00 33.51 H new ATOM 0 HH11 ARG 5 1 26.094 12.062 -12.394 1.00 35.44 H new ATOM 0 HH12 ARG 5 1 24.853 13.210 -12.910 1.00 35.44 H new ATOM 0 HH21 ARG 5 1 25.517 12.798 -16.281 1.00 34.48 H new ATOM 0 HH22 ARG 5 1 24.534 13.616 -15.062 1.00 34.48 H new ATOM 27 N PRO 5 2 31.357 14.286 -10.522 1.00 22.41 N ATOM 28 CA PRO 5 2 32.840 14.296 -10.741 1.00 19.52 C ATOM 29 C PRO 5 2 33.527 13.069 -10.105 1.00 17.70 C ATOM 30 O PRO 5 2 32.920 12.025 -9.929 1.00 16.41 O ATOM 31 CB PRO 5 2 33.314 15.604 -10.081 1.00 21.00 C ATOM 32 CG PRO 5 2 32.081 16.432 -9.894 1.00 20.91 C ATOM 33 CD PRO 5 2 30.925 15.448 -9.726 1.00 22.49 C ATOM 0 HA PRO 5 2 33.094 14.245 -11.800 1.00 19.52 H new ATOM 0 HB2 PRO 5 2 33.802 15.407 -9.126 1.00 21.00 H new ATOM 0 HB3 PRO 5 2 34.040 16.119 -10.710 1.00 21.00 H new ATOM 0 HG2 PRO 5 2 32.174 17.076 -9.019 1.00 20.91 H new ATOM 0 HG3 PRO 5 2 31.916 17.083 -10.753 1.00 20.91 H new ATOM 0 HD2 PRO 5 2 30.769 15.184 -8.680 1.00 22.49 H new ATOM 0 HD3 PRO 5 2 29.986 15.862 -10.094 1.00 22.49 H new ATOM 41 N ASP 5 3 34.777 13.181 -9.726 1.00 16.15 N ATOM 42 CA ASP 5 3 35.477 12.004 -9.117 1.00 17.15 C ATOM 43 C ASP 5 3 34.757 11.549 -7.851 1.00 13.33 C ATOM 44 O ASP 5 3 34.402 10.391 -7.712 1.00 12.36 O ATOM 45 CB ASP 5 3 36.936 12.351 -8.771 1.00 24.92 C ATOM 46 CG ASP 5 3 37.024 13.727 -8.076 1.00 31.50 C ATOM 47 OD1 ASP 5 3 36.557 14.698 -8.651 1.00 35.43 O ATOM 48 OD2 ASP 5 3 37.564 13.775 -6.978 1.00 35.71 O ATOM 0 H ASP 5 3 35.340 14.028 -9.810 1.00 16.15 H new ATOM 0 HA ASP 5 3 35.467 11.198 -9.850 1.00 17.15 H new ATOM 0 HB2 ASP 5 3 37.352 11.583 -8.120 1.00 24.92 H new ATOM 0 HB3 ASP 5 3 37.538 12.359 -9.680 1.00 24.92 H new ATOM 53 N PHE 5 4 34.622 12.424 -6.888 1.00 12.38 N ATOM 54 CA PHE 5 4 33.977 12.051 -5.583 1.00 13.61 C ATOM 55 C PHE 5 4 32.530 11.580 -5.832 1.00 13.10 C ATOM 56 O PHE 5 4 31.596 11.977 -5.157 1.00 13.82 O ATOM 57 CB PHE 5 4 33.990 13.262 -4.611 1.00 12.65 C ATOM 58 CG PHE 5 4 33.679 14.558 -5.345 1.00 12.81 C ATOM 59 CD1 PHE 5 4 34.696 15.274 -5.985 1.00 13.29 C ATOM 60 CD2 PHE 5 4 32.362 15.043 -5.370 1.00 12.38 C ATOM 61 CE1 PHE 5 4 34.403 16.473 -6.657 1.00 14.01 C ATOM 62 CE2 PHE 5 4 32.067 16.242 -6.037 1.00 14.62 C ATOM 63 CZ PHE 5 4 33.088 16.956 -6.683 1.00 13.69 C ATOM 0 H PHE 5 4 34.933 13.394 -6.947 1.00 12.38 H new ATOM 0 HA PHE 5 4 34.541 11.237 -5.128 1.00 13.61 H new ATOM 0 HB2 PHE 5 4 33.258 13.104 -3.819 1.00 12.65 H new ATOM 0 HB3 PHE 5 4 34.966 13.337 -4.132 1.00 12.65 H new ATOM 0 HD1 PHE 5 4 35.710 14.904 -5.963 1.00 13.29 H new ATOM 0 HD2 PHE 5 4 31.575 14.493 -4.875 1.00 12.38 H new ATOM 0 HE1 PHE 5 4 35.190 17.021 -7.153 1.00 14.01 H new ATOM 0 HE2 PHE 5 4 31.054 16.615 -6.053 1.00 14.62 H new ATOM 0 HZ PHE 5 4 32.860 17.877 -7.200 1.00 13.69 H new ATOM 73 N CYS 5 5 32.348 10.737 -6.812 1.00 12.49 N ATOM 74 CA CYS 5 5 30.991 10.225 -7.154 1.00 10.18 C ATOM 75 C CYS 5 5 31.111 8.779 -7.643 1.00 10.29 C ATOM 76 O CYS 5 5 30.156 8.194 -8.120 1.00 10.73 O ATOM 77 CB CYS 5 5 30.423 11.079 -8.287 1.00 10.74 C ATOM 78 SG CYS 5 5 30.191 12.778 -7.715 1.00 12.66 S ATOM 0 H CYS 5 5 33.098 10.375 -7.401 1.00 12.49 H new ATOM 0 HA CYS 5 5 30.342 10.269 -6.280 1.00 10.18 H new ATOM 0 HB2 CYS 5 5 31.099 11.062 -9.142 1.00 10.74 H new ATOM 0 HB3 CYS 5 5 29.472 10.666 -8.625 1.00 10.74 H new ATOM 83 N LEU 5 6 32.292 8.216 -7.556 1.00 10.75 N ATOM 84 CA LEU 5 6 32.507 6.827 -8.050 1.00 12.75 C ATOM 85 C LEU 5 6 32.731 5.847 -6.893 1.00 13.85 C ATOM 86 O LEU 5 6 32.095 4.816 -6.836 1.00 15.33 O ATOM 87 CB LEU 5 6 33.726 6.819 -8.976 1.00 14.73 C ATOM 88 CG LEU 5 6 33.347 7.443 -10.325 1.00 16.78 C ATOM 89 CD1 LEU 5 6 34.235 8.656 -10.610 1.00 17.42 C ATOM 90 CD2 LEU 5 6 33.531 6.407 -11.436 1.00 16.88 C ATOM 0 H LEU 5 6 33.119 8.665 -7.161 1.00 10.75 H new ATOM 0 HA LEU 5 6 31.615 6.506 -8.588 1.00 12.75 H new ATOM 0 HB2 LEU 5 6 34.545 7.377 -8.522 1.00 14.73 H new ATOM 0 HB3 LEU 5 6 34.079 5.798 -9.122 1.00 14.73 H new ATOM 0 HG LEU 5 6 32.306 7.763 -10.289 1.00 16.78 H new ATOM 0 HD11 LEU 5 6 33.958 9.092 -11.570 1.00 17.42 H new ATOM 0 HD12 LEU 5 6 34.102 9.398 -9.823 1.00 17.42 H new ATOM 0 HD13 LEU 5 6 35.279 8.344 -10.641 1.00 17.42 H new ATOM 0 HD21 LEU 5 6 33.262 6.850 -12.395 1.00 16.88 H new ATOM 0 HD22 LEU 5 6 34.572 6.085 -11.465 1.00 16.88 H new ATOM 0 HD23 LEU 5 6 32.890 5.547 -11.241 1.00 16.88 H new ATOM 102 N GLU 5 7 33.627 6.136 -5.979 1.00 12.79 N ATOM 103 CA GLU 5 7 33.843 5.186 -4.843 1.00 15.64 C ATOM 104 C GLU 5 7 32.486 4.908 -4.172 1.00 12.90 C ATOM 105 O GLU 5 7 31.762 5.818 -3.807 1.00 12.97 O ATOM 106 CB GLU 5 7 34.860 5.753 -3.825 1.00 17.43 C ATOM 107 CG GLU 5 7 34.864 7.292 -3.828 1.00 19.72 C ATOM 108 CD GLU 5 7 34.851 7.800 -2.380 1.00 20.46 C ATOM 109 OE1 GLU 5 7 33.790 7.799 -1.786 1.00 18.99 O ATOM 110 OE2 GLU 5 7 35.887 8.228 -1.896 1.00 22.37 O ATOM 0 H GLU 5 7 34.209 6.974 -5.969 1.00 12.79 H new ATOM 0 HA GLU 5 7 34.261 4.254 -5.223 1.00 15.64 H new ATOM 0 HB2 GLU 5 7 34.617 5.391 -2.826 1.00 17.43 H new ATOM 0 HB3 GLU 5 7 35.858 5.385 -4.063 1.00 17.43 H new ATOM 0 HG2 GLU 5 7 35.746 7.664 -4.349 1.00 19.72 H new ATOM 0 HG3 GLU 5 7 33.994 7.669 -4.366 1.00 19.72 H new ATOM 117 N PRO 5 8 32.132 3.648 -4.035 1.00 13.23 N ATOM 118 CA PRO 5 8 30.804 3.237 -3.467 1.00 13.50 C ATOM 119 C PRO 5 8 30.665 3.542 -1.962 1.00 12.26 C ATOM 120 O PRO 5 8 31.640 3.741 -1.275 1.00 11.77 O ATOM 121 CB PRO 5 8 30.749 1.726 -3.745 1.00 15.10 C ATOM 122 CG PRO 5 8 32.170 1.285 -3.856 1.00 16.05 C ATOM 123 CD PRO 5 8 32.956 2.480 -4.399 1.00 15.37 C ATOM 0 HA PRO 5 8 29.982 3.791 -3.919 1.00 13.50 H new ATOM 0 HB2 PRO 5 8 30.237 1.198 -2.941 1.00 15.10 H new ATOM 0 HB3 PRO 5 8 30.201 1.516 -4.664 1.00 15.10 H new ATOM 0 HG2 PRO 5 8 32.557 0.975 -2.885 1.00 16.05 H new ATOM 0 HG3 PRO 5 8 32.259 0.427 -4.523 1.00 16.05 H new ATOM 0 HD2 PRO 5 8 33.949 2.539 -3.954 1.00 15.37 H new ATOM 0 HD3 PRO 5 8 33.093 2.410 -5.478 1.00 15.37 H new ATOM 131 N PRO 5 9 29.455 3.547 -1.448 1.00 11.39 N ATOM 132 CA PRO 5 9 29.179 3.851 -0.011 1.00 11.12 C ATOM 133 C PRO 5 9 30.066 3.001 0.944 1.00 10.17 C ATOM 134 O PRO 5 9 30.061 1.804 0.886 1.00 12.88 O ATOM 135 CB PRO 5 9 27.683 3.512 0.173 1.00 11.43 C ATOM 136 CG PRO 5 9 27.227 2.854 -1.094 1.00 12.21 C ATOM 137 CD PRO 5 9 28.229 3.219 -2.188 1.00 11.84 C ATOM 0 HA PRO 5 9 29.408 4.888 0.234 1.00 11.12 H new ATOM 0 HB2 PRO 5 9 27.539 2.849 1.026 1.00 11.43 H new ATOM 0 HB3 PRO 5 9 27.104 4.414 0.370 1.00 11.43 H new ATOM 0 HG2 PRO 5 9 27.175 1.773 -0.967 1.00 12.21 H new ATOM 0 HG3 PRO 5 9 26.226 3.192 -1.363 1.00 12.21 H new ATOM 0 HD2 PRO 5 9 28.388 2.390 -2.877 1.00 11.84 H new ATOM 0 HD3 PRO 5 9 27.882 4.065 -2.782 1.00 11.84 H new ATOM 145 N TYR 5 10 30.818 3.625 1.803 1.00 9.53 N ATOM 146 CA TYR 5 10 31.742 2.906 2.735 1.00 10.73 C ATOM 147 C TYR 5 10 31.342 3.266 4.173 1.00 9.35 C ATOM 148 O TYR 5 10 31.546 4.364 4.619 1.00 9.61 O ATOM 149 CB TYR 5 10 33.165 3.401 2.371 1.00 12.55 C ATOM 150 CG TYR 5 10 34.261 2.543 2.974 1.00 14.36 C ATOM 151 CD1 TYR 5 10 34.710 2.790 4.275 1.00 14.93 C ATOM 152 CD2 TYR 5 10 34.886 1.554 2.198 1.00 16.08 C ATOM 153 CE1 TYR 5 10 35.771 2.046 4.806 1.00 15.90 C ATOM 154 CE2 TYR 5 10 35.956 0.821 2.725 1.00 16.73 C ATOM 155 CZ TYR 5 10 36.396 1.066 4.030 1.00 17.33 C ATOM 156 OH TYR 5 10 37.454 0.351 4.548 1.00 19.17 O ATOM 0 H TYR 5 10 30.834 4.640 1.904 1.00 9.53 H new ATOM 0 HA TYR 5 10 31.700 1.820 2.652 1.00 10.73 H new ATOM 0 HB2 TYR 5 10 33.274 3.412 1.287 1.00 12.55 H new ATOM 0 HB3 TYR 5 10 33.285 4.429 2.713 1.00 12.55 H new ATOM 0 HD1 TYR 5 10 34.238 3.556 4.872 1.00 14.93 H new ATOM 0 HD2 TYR 5 10 34.541 1.358 1.193 1.00 16.08 H new ATOM 0 HE1 TYR 5 10 36.107 2.230 5.816 1.00 15.90 H new ATOM 0 HE2 TYR 5 10 36.442 0.066 2.124 1.00 16.73 H new ATOM 0 HH TYR 5 10 37.773 -0.291 3.880 1.00 19.17 H new ATOM 166 N THR 5 11 30.782 2.333 4.877 1.00 10.38 N ATOM 167 CA THR 5 11 30.315 2.558 6.273 1.00 12.46 C ATOM 168 C THR 5 11 31.495 2.401 7.217 1.00 11.29 C ATOM 169 O THR 5 11 31.524 2.972 8.293 1.00 11.82 O ATOM 170 CB THR 5 11 29.249 1.505 6.617 1.00 13.67 C ATOM 171 OG1 THR 5 11 28.044 1.791 5.912 1.00 15.23 O ATOM 172 CG2 THR 5 11 28.966 1.537 8.113 1.00 14.27 C ATOM 0 H THR 5 11 30.621 1.387 4.532 1.00 10.38 H new ATOM 0 HA THR 5 11 29.892 3.558 6.371 1.00 12.46 H new ATOM 0 HB THR 5 11 29.616 0.520 6.330 1.00 13.67 H new ATOM 0 HG1 THR 5 11 27.567 2.520 6.361 1.00 15.23 H new ATOM 0 HG21 THR 5 11 28.210 0.790 8.356 1.00 14.27 H new ATOM 0 HG22 THR 5 11 29.882 1.318 8.661 1.00 14.27 H new ATOM 0 HG23 THR 5 11 28.603 2.526 8.394 1.00 14.27 H new ATOM 180 N GLY 5 12 32.449 1.596 6.830 1.00 12.43 N ATOM 181 CA GLY 5 12 33.644 1.362 7.705 1.00 13.15 C ATOM 182 C GLY 5 12 33.316 0.367 8.835 1.00 12.80 C ATOM 183 O GLY 5 12 32.180 -0.060 9.010 1.00 12.30 O ATOM 0 H GLY 5 12 32.456 1.088 5.945 1.00 12.43 H new ATOM 0 HA2 GLY 5 12 34.469 0.977 7.105 1.00 13.15 H new ATOM 0 HA3 GLY 5 12 33.976 2.308 8.134 1.00 13.15 H new ATOM 187 N PRO 5 13 34.320 0.011 9.606 1.00 14.49 N ATOM 188 CA PRO 5 13 34.184 -0.953 10.747 1.00 13.95 C ATOM 189 C PRO 5 13 33.268 -0.453 11.875 1.00 13.29 C ATOM 190 O PRO 5 13 32.432 -1.188 12.368 1.00 14.10 O ATOM 191 CB PRO 5 13 35.618 -1.144 11.261 1.00 13.23 C ATOM 192 CG PRO 5 13 36.402 0.020 10.745 1.00 14.60 C ATOM 193 CD PRO 5 13 35.699 0.513 9.478 1.00 13.98 C ATOM 0 HA PRO 5 13 33.715 -1.877 10.410 1.00 13.95 H new ATOM 0 HB2 PRO 5 13 35.640 -1.177 12.350 1.00 13.23 H new ATOM 0 HB3 PRO 5 13 36.037 -2.085 10.905 1.00 13.23 H new ATOM 0 HG2 PRO 5 13 36.450 0.813 11.492 1.00 14.60 H new ATOM 0 HG3 PRO 5 13 37.428 -0.274 10.526 1.00 14.60 H new ATOM 0 HD2 PRO 5 13 35.721 1.601 9.409 1.00 13.98 H new ATOM 0 HD3 PRO 5 13 36.181 0.126 8.580 1.00 13.98 H new ATOM 201 N CYS 5 14 33.411 0.773 12.289 1.00 12.13 N ATOM 202 CA CYS 5 14 32.540 1.300 13.388 1.00 13.10 C ATOM 203 C CYS 5 14 31.066 1.261 12.962 1.00 14.28 C ATOM 204 O CYS 5 14 30.745 1.148 11.785 1.00 14.31 O ATOM 205 CB CYS 5 14 32.937 2.746 13.698 1.00 11.97 C ATOM 206 SG CYS 5 14 34.716 2.830 14.018 1.00 12.63 S ATOM 0 H CYS 5 14 34.091 1.437 11.918 1.00 12.13 H new ATOM 0 HA CYS 5 14 32.671 0.679 14.274 1.00 13.10 H new ATOM 0 HB2 CYS 5 14 32.677 3.393 12.860 1.00 11.97 H new ATOM 0 HB3 CYS 5 14 32.384 3.108 14.564 1.00 11.97 H new ATOM 211 N LYS 5 15 30.161 1.352 13.905 1.00 15.59 N ATOM 212 CA LYS 5 15 28.724 1.313 13.549 1.00 16.40 C ATOM 213 C LYS 5 15 27.981 2.395 14.332 1.00 14.53 C ATOM 214 O LYS 5 15 26.877 2.207 14.802 1.00 16.12 O ATOM 215 CB LYS 5 15 28.144 -0.070 13.873 1.00 20.41 C ATOM 216 CG LYS 5 15 28.865 -1.143 13.044 1.00 23.07 C ATOM 217 CD LYS 5 15 28.468 -1.012 11.566 1.00 26.62 C ATOM 218 CE LYS 5 15 29.530 -1.672 10.683 1.00 30.12 C ATOM 219 NZ LYS 5 15 30.820 -0.939 10.844 1.00 33.66 N ATOM 0 H LYS 5 15 30.362 1.451 14.900 1.00 15.59 H new ATOM 0 HA LYS 5 15 28.606 1.498 12.481 1.00 16.40 H new ATOM 0 HB2 LYS 5 15 28.257 -0.282 14.936 1.00 20.41 H new ATOM 0 HB3 LYS 5 15 27.076 -0.087 13.656 1.00 20.41 H new ATOM 0 HG2 LYS 5 15 29.944 -1.034 13.151 1.00 23.07 H new ATOM 0 HG3 LYS 5 15 28.606 -2.136 13.413 1.00 23.07 H new ATOM 0 HD2 LYS 5 15 27.499 -1.481 11.397 1.00 26.62 H new ATOM 0 HD3 LYS 5 15 28.363 0.040 11.300 1.00 26.62 H new ATOM 0 HE2 LYS 5 15 29.654 -2.718 10.962 1.00 30.12 H new ATOM 0 HE3 LYS 5 15 29.215 -1.655 9.640 1.00 30.12 H new ATOM 0 HZ1 LYS 5 15 31.337 -0.944 9.942 1.00 33.66 H new ATOM 0 HZ2 LYS 5 15 30.628 0.043 11.128 1.00 33.66 H new ATOM 0 HZ3 LYS 5 15 31.395 -1.404 11.575 1.00 33.66 H new ATOM 233 N ALA 5 16 28.598 3.525 14.518 1.00 12.01 N ATOM 234 CA ALA 5 16 27.914 4.604 15.266 1.00 12.90 C ATOM 235 C ALA 5 16 26.627 4.929 14.531 1.00 12.51 C ATOM 236 O ALA 5 16 26.627 5.138 13.350 1.00 13.19 O ATOM 237 CB ALA 5 16 28.804 5.852 15.333 1.00 11.07 C ATOM 0 H ALA 5 16 29.537 3.745 14.187 1.00 12.01 H new ATOM 0 HA ALA 5 16 27.705 4.282 16.286 1.00 12.90 H new ATOM 0 HB1 ALA 5 16 28.288 6.637 15.886 1.00 11.07 H new ATOM 0 HB2 ALA 5 16 29.738 5.606 15.838 1.00 11.07 H new ATOM 0 HB3 ALA 5 16 29.019 6.200 14.323 1.00 11.07 H new ATOM 243 N ARG 5 17 25.542 4.926 15.223 1.00 12.27 N ATOM 244 CA ARG 5 17 24.211 5.202 14.588 1.00 13.57 C ATOM 245 C ARG 5 17 24.209 6.555 13.853 1.00 11.67 C ATOM 246 O ARG 5 17 23.292 7.341 13.975 1.00 13.64 O ATOM 247 CB ARG 5 17 23.123 5.189 15.673 1.00 15.95 C ATOM 248 CG ARG 5 17 22.470 3.802 15.727 1.00 21.32 C ATOM 249 CD ARG 5 17 22.998 3.023 16.933 1.00 25.64 C ATOM 250 NE ARG 5 17 22.653 1.566 16.769 1.00 32.90 N ATOM 251 CZ ARG 5 17 21.431 1.172 16.556 1.00 35.77 C ATOM 252 NH1 ARG 5 17 20.447 1.998 16.675 1.00 36.81 N ATOM 253 NH2 ARG 5 17 21.196 -0.069 16.273 1.00 36.79 N ATOM 0 H ARG 5 17 25.503 4.742 16.225 1.00 12.27 H new ATOM 0 HA ARG 5 17 24.010 4.425 13.850 1.00 13.57 H new ATOM 0 HB2 ARG 5 17 23.558 5.436 16.642 1.00 15.95 H new ATOM 0 HB3 ARG 5 17 22.371 5.948 15.458 1.00 15.95 H new ATOM 0 HG2 ARG 5 17 21.387 3.903 15.795 1.00 21.32 H new ATOM 0 HG3 ARG 5 17 22.682 3.255 14.809 1.00 21.32 H new ATOM 0 HD2 ARG 5 17 24.078 3.146 17.017 1.00 25.64 H new ATOM 0 HD3 ARG 5 17 22.560 3.412 17.852 1.00 25.64 H new ATOM 0 HE ARG 5 17 23.396 0.870 16.826 1.00 32.90 H new ATOM 0 HH11 ARG 5 17 20.624 2.968 16.938 1.00 36.81 H new ATOM 0 HH12 ARG 5 17 19.492 1.681 16.506 1.00 36.81 H new ATOM 0 HH21 ARG 5 17 21.967 -0.734 16.218 1.00 36.79 H new ATOM 0 HH22 ARG 5 17 20.240 -0.382 16.105 1.00 36.79 H new ATOM 267 N ILE 5 18 25.211 6.818 13.063 1.00 10.78 N ATOM 268 CA ILE 5 18 25.263 8.105 12.334 1.00 10.61 C ATOM 269 C ILE 5 18 24.658 7.964 10.951 1.00 10.94 C ATOM 270 O ILE 5 18 25.267 7.465 10.030 1.00 10.62 O ATOM 271 CB ILE 5 18 26.721 8.601 12.224 1.00 11.97 C ATOM 272 CG1 ILE 5 18 27.296 8.871 13.622 1.00 13.12 C ATOM 273 CG2 ILE 5 18 26.752 9.901 11.415 1.00 10.95 C ATOM 274 CD1 ILE 5 18 28.777 9.246 13.505 1.00 13.42 C ATOM 0 H ILE 5 18 25.998 6.191 12.893 1.00 10.78 H new ATOM 0 HA ILE 5 18 24.681 8.837 12.894 1.00 10.61 H new ATOM 0 HB ILE 5 18 27.319 7.835 11.730 1.00 11.97 H new ATOM 0 HG12 ILE 5 18 26.743 9.677 14.104 1.00 13.12 H new ATOM 0 HG13 ILE 5 18 27.183 7.987 14.250 1.00 13.12 H new ATOM 0 HG21 ILE 5 18 27.780 10.255 11.335 1.00 10.95 H new ATOM 0 HG22 ILE 5 18 26.352 9.718 10.418 1.00 10.95 H new ATOM 0 HG23 ILE 5 18 26.146 10.656 11.916 1.00 10.95 H new ATOM 0 HD11 ILE 5 18 29.183 9.437 14.498 1.00 13.42 H new ATOM 0 HD12 ILE 5 18 29.324 8.426 13.041 1.00 13.42 H new ATOM 0 HD13 ILE 5 18 28.878 10.142 12.893 1.00 13.42 H new ATOM 286 N ILE 5 19 23.466 8.447 10.800 1.00 10.63 N ATOM 287 CA ILE 5 19 22.799 8.384 9.466 1.00 11.65 C ATOM 288 C ILE 5 19 23.319 9.543 8.621 1.00 10.38 C ATOM 289 O ILE 5 19 23.439 10.660 9.097 1.00 12.22 O ATOM 290 CB ILE 5 19 21.264 8.479 9.599 1.00 13.30 C ATOM 291 CG1 ILE 5 19 20.817 8.033 11.002 1.00 15.24 C ATOM 292 CG2 ILE 5 19 20.609 7.575 8.547 1.00 13.64 C ATOM 293 CD1 ILE 5 19 21.215 6.575 11.240 1.00 16.83 C ATOM 0 H ILE 5 19 22.917 8.885 11.540 1.00 10.63 H new ATOM 0 HA ILE 5 19 23.028 7.428 8.995 1.00 11.65 H new ATOM 0 HB ILE 5 19 20.959 9.514 9.445 1.00 13.30 H new ATOM 0 HG12 ILE 5 19 21.274 8.671 11.758 1.00 15.24 H new ATOM 0 HG13 ILE 5 19 19.737 8.145 11.101 1.00 15.24 H new ATOM 0 HG21 ILE 5 19 19.525 7.639 8.637 1.00 13.64 H new ATOM 0 HG22 ILE 5 19 20.910 7.899 7.551 1.00 13.64 H new ATOM 0 HG23 ILE 5 19 20.926 6.544 8.705 1.00 13.64 H new ATOM 0 HD11 ILE 5 19 20.894 6.268 12.236 1.00 16.83 H new ATOM 0 HD12 ILE 5 19 20.737 5.941 10.493 1.00 16.83 H new ATOM 0 HD13 ILE 5 19 22.298 6.476 11.161 1.00 16.83 H new ATOM 305 N ARG 5 20 23.608 9.288 7.374 1.00 10.55 N ATOM 306 CA ARG 5 20 24.119 10.368 6.467 1.00 10.78 C ATOM 307 C ARG 5 20 23.576 10.127 5.046 1.00 9.27 C ATOM 308 O ARG 5 20 22.836 9.188 4.798 1.00 10.69 O ATOM 309 CB ARG 5 20 25.666 10.356 6.404 1.00 9.44 C ATOM 310 CG ARG 5 20 26.307 10.557 7.791 1.00 10.78 C ATOM 311 CD ARG 5 20 26.551 12.041 8.066 1.00 12.14 C ATOM 312 NE ARG 5 20 27.474 12.572 7.016 1.00 13.47 N ATOM 313 CZ ARG 5 20 27.740 13.839 6.930 1.00 14.63 C ATOM 314 NH1 ARG 5 20 27.208 14.679 7.760 1.00 15.39 N ATOM 315 NH2 ARG 5 20 28.539 14.256 6.000 1.00 14.38 N ATOM 0 H ARG 5 20 23.513 8.371 6.937 1.00 10.55 H new ATOM 0 HA ARG 5 20 23.786 11.330 6.857 1.00 10.78 H new ATOM 0 HB2 ARG 5 20 26.003 9.409 5.984 1.00 9.44 H new ATOM 0 HB3 ARG 5 20 26.007 11.143 5.731 1.00 9.44 H new ATOM 0 HG2 ARG 5 20 25.657 10.142 8.561 1.00 10.78 H new ATOM 0 HG3 ARG 5 20 27.250 10.013 7.843 1.00 10.78 H new ATOM 0 HD2 ARG 5 20 25.609 12.589 8.054 1.00 12.14 H new ATOM 0 HD3 ARG 5 20 26.986 12.176 9.056 1.00 12.14 H new ATOM 0 HE ARG 5 20 27.903 11.925 6.354 1.00 13.47 H new ATOM 0 HH11 ARG 5 20 26.575 14.346 8.487 1.00 15.39 H new ATOM 0 HH12 ARG 5 20 27.422 15.674 7.686 1.00 15.39 H new ATOM 0 HH21 ARG 5 20 28.951 13.591 5.346 1.00 14.38 H new ATOM 0 HH22 ARG 5 20 28.756 15.250 5.922 1.00 14.38 H new ATOM 329 N TYR 5 21 23.970 10.955 4.113 1.00 9.20 N ATOM 330 CA TYR 5 21 23.518 10.796 2.679 1.00 8.22 C ATOM 331 C TYR 5 21 24.736 10.482 1.785 1.00 8.71 C ATOM 332 O TYR 5 21 25.854 10.816 2.132 1.00 8.47 O ATOM 333 CB TYR 5 21 22.918 12.115 2.196 1.00 9.14 C ATOM 334 CG TYR 5 21 21.664 12.415 2.963 1.00 10.30 C ATOM 335 CD1 TYR 5 21 21.742 12.853 4.281 1.00 10.02 C ATOM 336 CD2 TYR 5 21 20.424 12.252 2.351 1.00 10.29 C ATOM 337 CE1 TYR 5 21 20.574 13.132 4.989 1.00 11.24 C ATOM 338 CE2 TYR 5 21 19.261 12.535 3.059 1.00 11.46 C ATOM 339 CZ TYR 5 21 19.336 12.976 4.375 1.00 12.26 C ATOM 340 OH TYR 5 21 18.182 13.250 5.070 1.00 13.81 O ATOM 0 H TYR 5 21 24.593 11.746 4.276 1.00 9.20 H new ATOM 0 HA TYR 5 21 22.786 9.990 2.623 1.00 8.22 H new ATOM 0 HB2 TYR 5 21 23.638 12.923 2.329 1.00 9.14 H new ATOM 0 HB3 TYR 5 21 22.698 12.056 1.130 1.00 9.14 H new ATOM 0 HD1 TYR 5 21 22.705 12.977 4.754 1.00 10.02 H new ATOM 0 HD2 TYR 5 21 20.366 11.907 1.329 1.00 10.29 H new ATOM 0 HE1 TYR 5 21 20.631 13.469 6.014 1.00 11.24 H new ATOM 0 HE2 TYR 5 21 18.298 12.412 2.586 1.00 11.46 H new ATOM 0 HH TYR 5 21 17.407 13.090 4.493 1.00 13.81 H new ATOM 350 N PHE 5 22 24.536 9.866 0.635 1.00 7.43 N ATOM 351 CA PHE 5 22 25.707 9.563 -0.290 1.00 6.76 C ATOM 352 C PHE 5 22 25.276 9.683 -1.768 1.00 7.20 C ATOM 353 O PHE 5 22 24.113 9.901 -2.071 1.00 7.41 O ATOM 354 CB PHE 5 22 26.207 8.137 -0.035 1.00 6.59 C ATOM 355 CG PHE 5 22 25.379 7.146 -0.826 1.00 7.76 C ATOM 356 CD1 PHE 5 22 24.052 6.901 -0.462 1.00 8.78 C ATOM 357 CD2 PHE 5 22 25.937 6.486 -1.929 1.00 8.47 C ATOM 358 CE1 PHE 5 22 23.278 5.996 -1.197 1.00 9.59 C ATOM 359 CE2 PHE 5 22 25.166 5.577 -2.670 1.00 9.15 C ATOM 360 CZ PHE 5 22 23.834 5.331 -2.303 1.00 9.79 C ATOM 0 H PHE 5 22 23.625 9.560 0.293 1.00 7.43 H new ATOM 0 HA PHE 5 22 26.501 10.282 -0.088 1.00 6.76 H new ATOM 0 HB2 PHE 5 22 27.256 8.055 -0.319 1.00 6.59 H new ATOM 0 HB3 PHE 5 22 26.146 7.907 1.029 1.00 6.59 H new ATOM 0 HD1 PHE 5 22 23.623 7.411 0.388 1.00 8.78 H new ATOM 0 HD2 PHE 5 22 26.962 6.677 -2.209 1.00 8.47 H new ATOM 0 HE1 PHE 5 22 22.253 5.809 -0.914 1.00 9.59 H new ATOM 0 HE2 PHE 5 22 25.596 5.068 -3.520 1.00 9.15 H new ATOM 0 HZ PHE 5 22 23.237 4.632 -2.870 1.00 9.79 H new ATOM 370 N TYR 5 23 26.211 9.549 -2.694 1.00 8.20 N ATOM 371 CA TYR 5 23 25.856 9.642 -4.156 1.00 7.28 C ATOM 372 C TYR 5 23 25.736 8.225 -4.741 1.00 7.57 C ATOM 373 O TYR 5 23 26.704 7.486 -4.779 1.00 8.16 O ATOM 374 CB TYR 5 23 26.965 10.387 -4.903 1.00 9.85 C ATOM 375 CG TYR 5 23 26.734 10.301 -6.399 1.00 9.96 C ATOM 376 CD1 TYR 5 23 25.643 10.958 -6.988 1.00 11.33 C ATOM 377 CD2 TYR 5 23 27.629 9.583 -7.204 1.00 10.97 C ATOM 378 CE1 TYR 5 23 25.454 10.894 -8.378 1.00 11.73 C ATOM 379 CE2 TYR 5 23 27.445 9.529 -8.592 1.00 11.27 C ATOM 380 CZ TYR 5 23 26.359 10.185 -9.179 1.00 11.91 C ATOM 381 OH TYR 5 23 26.194 10.152 -10.548 1.00 14.10 O ATOM 0 H TYR 5 23 27.198 9.380 -2.500 1.00 8.20 H new ATOM 0 HA TYR 5 23 24.911 10.174 -4.265 1.00 7.28 H new ATOM 0 HB2 TYR 5 23 26.987 11.431 -4.590 1.00 9.85 H new ATOM 0 HB3 TYR 5 23 27.935 9.958 -4.652 1.00 9.85 H new ATOM 0 HD1 TYR 5 23 24.949 11.512 -6.373 1.00 11.33 H new ATOM 0 HD2 TYR 5 23 28.464 9.069 -6.752 1.00 10.97 H new ATOM 0 HE1 TYR 5 23 24.609 11.392 -8.831 1.00 11.73 H new ATOM 0 HE2 TYR 5 23 28.142 8.981 -9.208 1.00 11.27 H new ATOM 0 HH TYR 5 23 26.910 9.617 -10.951 1.00 14.10 H new ATOM 391 N ASN 5 24 24.569 7.841 -5.213 1.00 7.53 N ATOM 392 CA ASN 5 24 24.404 6.465 -5.797 1.00 8.25 C ATOM 393 C ASN 5 24 24.820 6.474 -7.276 1.00 9.26 C ATOM 394 O ASN 5 24 24.031 6.764 -8.168 1.00 9.06 O ATOM 395 CB ASN 5 24 22.939 5.998 -5.659 1.00 9.60 C ATOM 396 CG ASN 5 24 22.832 4.527 -6.061 1.00 10.11 C ATOM 397 OD1 ASN 5 24 23.642 4.041 -6.833 1.00 13.10 O ATOM 398 ND2 ASN 5 24 21.864 3.801 -5.574 1.00 12.51 N ATOM 0 H ASN 5 24 23.727 8.417 -5.219 1.00 7.53 H new ATOM 0 HA ASN 5 24 25.043 5.770 -5.252 1.00 8.25 H new ATOM 0 HB2 ASN 5 24 22.599 6.131 -4.632 1.00 9.60 H new ATOM 0 HB3 ASN 5 24 22.291 6.606 -6.290 1.00 9.60 H new ATOM 0 HD21 ASN 5 24 21.780 2.819 -5.838 1.00 12.51 H new ATOM 0 HD22 ASN 5 24 21.191 4.215 -4.929 1.00 12.51 H new ATOM 405 N ALA 5 25 26.059 6.153 -7.547 1.00 10.90 N ATOM 406 CA ALA 5 25 26.529 6.167 -8.962 1.00 12.18 C ATOM 407 C ALA 5 25 25.883 5.013 -9.757 1.00 11.03 C ATOM 408 O ALA 5 25 26.014 4.946 -10.960 1.00 12.22 O ATOM 409 CB ALA 5 25 28.063 6.037 -9.003 1.00 11.38 C ATOM 0 H ALA 5 25 26.759 5.884 -6.856 1.00 10.90 H new ATOM 0 HA ALA 5 25 26.235 7.112 -9.419 1.00 12.18 H new ATOM 0 HB1 ALA 5 25 28.401 6.048 -10.039 1.00 11.38 H new ATOM 0 HB2 ALA 5 25 28.513 6.871 -8.465 1.00 11.38 H new ATOM 0 HB3 ALA 5 25 28.361 5.100 -8.534 1.00 11.38 H new ATOM 415 N LYS 5 26 25.162 4.122 -9.106 1.00 10.74 N ATOM 416 CA LYS 5 26 24.530 2.977 -9.842 1.00 13.89 C ATOM 417 C LYS 5 26 23.338 3.458 -10.677 1.00 13.64 C ATOM 418 O LYS 5 26 22.964 2.822 -11.639 1.00 15.07 O ATOM 419 CB LYS 5 26 24.046 1.931 -8.830 1.00 18.92 C ATOM 420 CG LYS 5 26 24.602 0.553 -9.211 1.00 23.44 C ATOM 421 CD LYS 5 26 23.824 0.006 -10.420 1.00 28.41 C ATOM 422 CE LYS 5 26 24.271 -1.428 -10.723 1.00 33.13 C ATOM 423 NZ LYS 5 26 23.368 -2.013 -11.760 1.00 36.26 N ATOM 0 H LYS 5 26 24.986 4.140 -8.101 1.00 10.74 H new ATOM 0 HA LYS 5 26 25.272 2.541 -10.511 1.00 13.89 H new ATOM 0 HB2 LYS 5 26 24.374 2.202 -7.826 1.00 18.92 H new ATOM 0 HB3 LYS 5 26 22.956 1.903 -8.813 1.00 18.92 H new ATOM 0 HG2 LYS 5 26 25.662 0.630 -9.451 1.00 23.44 H new ATOM 0 HG3 LYS 5 26 24.515 -0.132 -8.368 1.00 23.44 H new ATOM 0 HD2 LYS 5 26 22.754 0.027 -10.214 1.00 28.41 H new ATOM 0 HD3 LYS 5 26 23.994 0.640 -11.290 1.00 28.41 H new ATOM 0 HE2 LYS 5 26 25.302 -1.434 -11.076 1.00 33.13 H new ATOM 0 HE3 LYS 5 26 24.241 -2.031 -9.815 1.00 33.13 H new ATOM 0 HZ1 LYS 5 26 23.666 -2.987 -11.970 1.00 36.26 H new ATOM 0 HZ2 LYS 5 26 22.390 -2.019 -11.405 1.00 36.26 H new ATOM 0 HZ3 LYS 5 26 23.418 -1.441 -12.627 1.00 36.26 H new ATOM 437 N ALA 5 27 22.733 4.558 -10.303 1.00 13.18 N ATOM 438 CA ALA 5 27 21.554 5.089 -11.080 1.00 11.76 C ATOM 439 C ALA 5 27 21.797 6.562 -11.424 1.00 10.74 C ATOM 440 O ALA 5 27 21.159 7.111 -12.298 1.00 11.30 O ATOM 441 CB ALA 5 27 20.276 4.961 -10.242 1.00 12.78 C ATOM 0 H ALA 5 27 23.000 5.117 -9.493 1.00 13.18 H new ATOM 0 HA ALA 5 27 21.437 4.512 -11.998 1.00 11.76 H new ATOM 0 HB1 ALA 5 27 19.429 5.346 -10.809 1.00 12.78 H new ATOM 0 HB2 ALA 5 27 20.103 3.912 -9.999 1.00 12.78 H new ATOM 0 HB3 ALA 5 27 20.386 5.533 -9.321 1.00 12.78 H new ATOM 447 N GLY 5 28 22.717 7.207 -10.749 1.00 9.60 N ATOM 448 CA GLY 5 28 23.019 8.645 -11.062 1.00 10.58 C ATOM 449 C GLY 5 28 22.151 9.550 -10.194 1.00 11.69 C ATOM 450 O GLY 5 28 21.650 10.564 -10.637 1.00 12.66 O ATOM 0 H GLY 5 28 23.273 6.803 -9.995 1.00 9.60 H new ATOM 0 HA2 GLY 5 28 24.074 8.853 -10.882 1.00 10.58 H new ATOM 0 HA3 GLY 5 28 22.830 8.846 -12.117 1.00 10.58 H new ATOM 454 N LEU 5 29 21.985 9.185 -8.951 1.00 11.42 N ATOM 455 CA LEU 5 29 21.158 10.010 -8.021 1.00 13.44 C ATOM 456 C LEU 5 29 21.669 9.806 -6.596 1.00 10.49 C ATOM 457 O LEU 5 29 22.226 8.792 -6.271 1.00 11.18 O ATOM 458 CB LEU 5 29 19.682 9.581 -8.100 1.00 15.84 C ATOM 459 CG LEU 5 29 18.788 10.811 -8.279 1.00 17.24 C ATOM 460 CD1 LEU 5 29 18.762 11.220 -9.754 1.00 18.29 C ATOM 461 CD2 LEU 5 29 17.369 10.476 -7.807 1.00 18.39 C ATOM 0 H LEU 5 29 22.389 8.345 -8.537 1.00 11.42 H new ATOM 0 HA LEU 5 29 21.235 11.060 -8.303 1.00 13.44 H new ATOM 0 HB2 LEU 5 29 19.539 8.893 -8.933 1.00 15.84 H new ATOM 0 HB3 LEU 5 29 19.401 9.046 -7.193 1.00 15.84 H new ATOM 0 HG LEU 5 29 19.182 11.638 -7.689 1.00 17.24 H new ATOM 0 HD11 LEU 5 29 18.125 12.096 -9.878 1.00 18.29 H new ATOM 0 HD12 LEU 5 29 19.773 11.458 -10.084 1.00 18.29 H new ATOM 0 HD13 LEU 5 29 18.369 10.398 -10.353 1.00 18.29 H new ATOM 0 HD21 LEU 5 29 16.728 11.349 -7.932 1.00 18.39 H new ATOM 0 HD22 LEU 5 29 16.975 9.649 -8.397 1.00 18.39 H new ATOM 0 HD23 LEU 5 29 17.393 10.192 -6.755 1.00 18.39 H new ATOM 473 N CYS 5 30 21.508 10.758 -5.753 1.00 10.45 N ATOM 474 CA CYS 5 30 22.004 10.594 -4.351 1.00 10.30 C ATOM 475 C CYS 5 30 20.987 9.787 -3.551 1.00 10.76 C ATOM 476 O CYS 5 30 19.832 9.683 -3.918 1.00 12.39 O ATOM 477 CB CYS 5 30 22.228 11.960 -3.675 1.00 10.60 C ATOM 478 SG CYS 5 30 23.501 12.885 -4.574 1.00 11.79 S ATOM 0 H CYS 5 30 21.057 11.650 -5.956 1.00 10.45 H new ATOM 0 HA CYS 5 30 22.960 10.071 -4.381 1.00 10.30 H new ATOM 0 HB2 CYS 5 30 21.297 12.526 -3.659 1.00 10.60 H new ATOM 0 HB3 CYS 5 30 22.532 11.818 -2.638 1.00 10.60 H new ATOM 483 N GLN 5 31 21.411 9.218 -2.457 1.00 8.79 N ATOM 484 CA GLN 5 31 20.476 8.419 -1.611 1.00 10.62 C ATOM 485 C GLN 5 31 20.950 8.468 -0.150 1.00 10.68 C ATOM 486 O GLN 5 31 21.926 9.095 0.170 1.00 10.44 O ATOM 487 CB GLN 5 31 20.430 6.969 -2.113 1.00 11.67 C ATOM 488 CG GLN 5 31 19.204 6.770 -3.019 1.00 13.65 C ATOM 489 CD GLN 5 31 19.603 5.981 -4.272 1.00 14.34 C ATOM 490 OE1 GLN 5 31 20.006 4.840 -4.186 1.00 15.59 O ATOM 491 NE2 GLN 5 31 19.519 6.543 -5.441 1.00 18.68 N ATOM 0 H GLN 5 31 22.369 9.271 -2.110 1.00 8.79 H new ATOM 0 HA GLN 5 31 19.472 8.838 -1.674 1.00 10.62 H new ATOM 0 HB2 GLN 5 31 21.342 6.736 -2.663 1.00 11.67 H new ATOM 0 HB3 GLN 5 31 20.384 6.283 -1.267 1.00 11.67 H new ATOM 0 HG2 GLN 5 31 18.423 6.237 -2.477 1.00 13.65 H new ATOM 0 HG3 GLN 5 31 18.791 7.738 -3.304 1.00 13.65 H new ATOM 0 HE21 GLN 5 31 19.181 7.502 -5.523 1.00 18.68 H new ATOM 0 HE22 GLN 5 31 19.791 6.025 -6.277 1.00 18.68 H new ATOM 500 N THR 5 32 20.246 7.818 0.711 1.00 11.66 N ATOM 501 CA THR 5 32 20.571 7.812 2.183 1.00 11.14 C ATOM 502 C THR 5 32 21.374 6.562 2.568 1.00 10.29 C ATOM 503 O THR 5 32 21.429 5.595 1.833 1.00 11.74 O ATOM 504 CB THR 5 32 19.256 7.795 2.970 1.00 11.90 C ATOM 505 OG1 THR 5 32 18.471 6.694 2.538 1.00 14.39 O ATOM 506 CG2 THR 5 32 18.478 9.091 2.726 1.00 13.60 C ATOM 0 H THR 5 32 19.425 7.265 0.465 1.00 11.66 H new ATOM 0 HA THR 5 32 21.164 8.697 2.412 1.00 11.14 H new ATOM 0 HB THR 5 32 19.477 7.706 4.034 1.00 11.90 H new ATOM 0 HG1 THR 5 32 17.629 6.676 3.039 1.00 14.39 H new ATOM 0 HG21 THR 5 32 17.546 9.067 3.290 1.00 13.60 H new ATOM 0 HG22 THR 5 32 19.077 9.942 3.051 1.00 13.60 H new ATOM 0 HG23 THR 5 32 18.256 9.188 1.663 1.00 13.60 H new ATOM 514 N PHE 5 33 22.007 6.583 3.717 1.00 9.22 N ATOM 515 CA PHE 5 33 22.810 5.402 4.141 1.00 9.74 C ATOM 516 C PHE 5 33 23.239 5.521 5.600 1.00 9.40 C ATOM 517 O PHE 5 33 22.855 6.430 6.295 1.00 10.22 O ATOM 518 CB PHE 5 33 24.041 5.270 3.263 1.00 9.26 C ATOM 519 CG PHE 5 33 25.157 6.162 3.750 1.00 9.20 C ATOM 520 CD1 PHE 5 33 25.086 7.540 3.533 1.00 10.04 C ATOM 521 CD2 PHE 5 33 26.304 5.598 4.310 1.00 10.68 C ATOM 522 CE1 PHE 5 33 26.160 8.358 3.893 1.00 10.37 C ATOM 523 CE2 PHE 5 33 27.396 6.412 4.641 1.00 8.91 C ATOM 524 CZ PHE 5 33 27.319 7.793 4.437 1.00 9.71 C ATOM 0 H PHE 5 33 22.000 7.364 4.373 1.00 9.22 H new ATOM 0 HA PHE 5 33 22.184 4.516 4.035 1.00 9.74 H new ATOM 0 HB2 PHE 5 33 24.377 4.233 3.257 1.00 9.26 H new ATOM 0 HB3 PHE 5 33 23.787 5.529 2.235 1.00 9.26 H new ATOM 0 HD1 PHE 5 33 24.202 7.973 3.088 1.00 10.04 H new ATOM 0 HD2 PHE 5 33 26.350 4.534 4.488 1.00 10.68 H new ATOM 0 HE1 PHE 5 33 26.096 9.427 3.751 1.00 10.37 H new ATOM 0 HE2 PHE 5 33 28.294 5.974 5.052 1.00 8.91 H new ATOM 0 HZ PHE 5 33 28.155 8.424 4.700 1.00 9.71 H new ATOM 534 N VAL 5 34 24.053 4.614 6.046 1.00 11.69 N ATOM 535 CA VAL 5 34 24.534 4.653 7.477 1.00 11.33 C ATOM 536 C VAL 5 34 26.070 4.729 7.543 1.00 10.54 C ATOM 537 O VAL 5 34 26.763 3.957 6.894 1.00 11.75 O ATOM 538 CB VAL 5 34 24.086 3.372 8.182 1.00 13.85 C ATOM 539 CG1 VAL 5 34 24.730 3.307 9.570 1.00 15.43 C ATOM 540 CG2 VAL 5 34 22.559 3.363 8.327 1.00 14.03 C ATOM 0 H VAL 5 34 24.416 3.839 5.491 1.00 11.69 H new ATOM 0 HA VAL 5 34 24.115 5.536 7.958 1.00 11.33 H new ATOM 0 HB VAL 5 34 24.394 2.509 7.592 1.00 13.85 H new ATOM 0 HG11 VAL 5 34 24.413 2.395 10.076 1.00 15.43 H new ATOM 0 HG12 VAL 5 34 25.815 3.307 9.468 1.00 15.43 H new ATOM 0 HG13 VAL 5 34 24.421 4.173 10.155 1.00 15.43 H new ATOM 0 HG21 VAL 5 34 22.247 2.448 8.830 1.00 14.03 H new ATOM 0 HG22 VAL 5 34 22.244 4.225 8.914 1.00 14.03 H new ATOM 0 HG23 VAL 5 34 22.099 3.409 7.340 1.00 14.03 H new ATOM 550 N TYR 5 35 26.606 5.626 8.354 1.00 8.67 N ATOM 551 CA TYR 5 35 28.101 5.732 8.489 1.00 8.52 C ATOM 552 C TYR 5 35 28.539 5.068 9.801 1.00 9.39 C ATOM 553 O TYR 5 35 27.913 5.232 10.837 1.00 10.05 O ATOM 554 CB TYR 5 35 28.515 7.214 8.515 1.00 9.40 C ATOM 555 CG TYR 5 35 30.005 7.376 8.820 1.00 9.39 C ATOM 556 CD1 TYR 5 35 30.956 6.465 8.319 1.00 9.35 C ATOM 557 CD2 TYR 5 35 30.439 8.456 9.600 1.00 9.32 C ATOM 558 CE1 TYR 5 35 32.316 6.636 8.594 1.00 9.35 C ATOM 559 CE2 TYR 5 35 31.806 8.625 9.876 1.00 9.94 C ATOM 560 CZ TYR 5 35 32.744 7.714 9.369 1.00 10.13 C ATOM 561 OH TYR 5 35 34.089 7.879 9.630 1.00 11.76 O ATOM 0 H TYR 5 35 26.074 6.284 8.923 1.00 8.67 H new ATOM 0 HA TYR 5 35 28.576 5.235 7.643 1.00 8.52 H new ATOM 0 HB2 TYR 5 35 28.288 7.673 7.553 1.00 9.40 H new ATOM 0 HB3 TYR 5 35 27.929 7.743 9.267 1.00 9.40 H new ATOM 0 HD1 TYR 5 35 30.632 5.628 7.718 1.00 9.35 H new ATOM 0 HD2 TYR 5 35 29.720 9.161 9.990 1.00 9.32 H new ATOM 0 HE1 TYR 5 35 33.037 5.932 8.206 1.00 9.35 H new ATOM 0 HE2 TYR 5 35 32.135 9.458 10.480 1.00 9.94 H new ATOM 0 HH TYR 5 35 34.201 8.389 10.459 1.00 11.76 H new ATOM 571 N GLY 5 36 29.612 4.318 9.764 1.00 9.59 N ATOM 572 CA GLY 5 36 30.100 3.655 10.994 1.00 9.91 C ATOM 573 C GLY 5 36 30.685 4.700 11.947 1.00 9.25 C ATOM 574 O GLY 5 36 30.517 4.606 13.148 1.00 9.95 O ATOM 0 H GLY 5 36 30.168 4.141 8.927 1.00 9.59 H new ATOM 0 HA2 GLY 5 36 29.283 3.123 11.480 1.00 9.91 H new ATOM 0 HA3 GLY 5 36 30.858 2.913 10.742 1.00 9.91 H new ATOM 578 N GLY 5 37 31.352 5.703 11.423 1.00 8.45 N ATOM 579 CA GLY 5 37 31.965 6.772 12.310 1.00 10.39 C ATOM 580 C GLY 5 37 33.472 6.839 12.060 1.00 10.61 C ATOM 581 O GLY 5 37 34.104 7.829 12.367 1.00 13.37 O ATOM 0 H GLY 5 37 31.503 5.836 10.423 1.00 8.45 H new ATOM 0 HA2 GLY 5 37 31.508 7.739 12.101 1.00 10.39 H new ATOM 0 HA3 GLY 5 37 31.769 6.546 13.358 1.00 10.39 H new ATOM 585 N CYS 5 38 34.065 5.781 11.554 1.00 10.95 N ATOM 586 CA CYS 5 38 35.564 5.788 11.325 1.00 11.65 C ATOM 587 C CYS 5 38 35.919 5.279 9.909 1.00 12.05 C ATOM 588 O CYS 5 38 35.275 4.396 9.373 1.00 11.60 O ATOM 589 CB CYS 5 38 36.221 4.863 12.358 1.00 12.40 C ATOM 590 SG CYS 5 38 35.530 3.196 12.206 1.00 12.21 S ATOM 0 H CYS 5 38 33.590 4.918 11.290 1.00 10.95 H new ATOM 0 HA CYS 5 38 35.925 6.811 11.425 1.00 11.65 H new ATOM 0 HB2 CYS 5 38 37.300 4.836 12.203 1.00 12.40 H new ATOM 0 HB3 CYS 5 38 36.053 5.247 13.364 1.00 12.40 H new ATOM 595 N ARG 5 39 36.967 5.810 9.330 1.00 12.46 N ATOM 596 CA ARG 5 39 37.413 5.366 7.991 1.00 14.63 C ATOM 597 C ARG 5 39 36.336 5.598 6.930 1.00 12.13 C ATOM 598 O ARG 5 39 35.985 4.702 6.184 1.00 13.93 O ATOM 599 CB ARG 5 39 37.807 3.884 8.036 1.00 18.16 C ATOM 600 CG ARG 5 39 39.189 3.751 8.680 1.00 22.63 C ATOM 601 CD ARG 5 39 40.006 2.694 7.937 1.00 26.10 C ATOM 602 NE ARG 5 39 41.364 2.613 8.564 1.00 30.83 N ATOM 603 CZ ARG 5 39 42.167 1.630 8.289 1.00 32.34 C ATOM 604 NH1 ARG 5 39 41.821 0.726 7.430 1.00 33.57 N ATOM 605 NH2 ARG 5 39 43.322 1.563 8.871 1.00 33.18 N ATOM 0 H ARG 5 39 37.538 6.547 9.744 1.00 12.46 H new ATOM 0 HA ARG 5 39 38.282 5.962 7.712 1.00 14.63 H new ATOM 0 HB2 ARG 5 39 37.071 3.317 8.606 1.00 18.16 H new ATOM 0 HB3 ARG 5 39 37.820 3.468 7.029 1.00 18.16 H new ATOM 0 HG2 ARG 5 39 39.707 4.710 8.653 1.00 22.63 H new ATOM 0 HG3 ARG 5 39 39.086 3.474 9.729 1.00 22.63 H new ATOM 0 HD2 ARG 5 39 39.508 1.726 7.987 1.00 26.10 H new ATOM 0 HD3 ARG 5 39 40.091 2.954 6.882 1.00 26.10 H new ATOM 0 HE ARG 5 39 41.662 3.339 9.215 1.00 30.83 H new ATOM 0 HH11 ARG 5 39 40.915 0.784 6.966 1.00 33.57 H new ATOM 0 HH12 ARG 5 39 42.455 -0.044 7.217 1.00 33.57 H new ATOM 0 HH21 ARG 5 39 43.597 2.280 9.542 1.00 33.18 H new ATOM 0 HH22 ARG 5 39 43.956 0.793 8.658 1.00 33.18 H new ATOM 619 N ALA 5 40 35.796 6.783 6.872 1.00 11.13 N ATOM 620 CA ALA 5 40 34.724 7.079 5.865 1.00 12.22 C ATOM 621 C ALA 5 40 35.379 7.290 4.490 1.00 13.37 C ATOM 622 O ALA 5 40 36.554 7.073 4.334 1.00 14.12 O ATOM 623 CB ALA 5 40 33.991 8.356 6.289 1.00 11.96 C ATOM 0 H ALA 5 40 36.047 7.565 7.477 1.00 11.13 H new ATOM 0 HA ALA 5 40 34.016 6.252 5.808 1.00 12.22 H new ATOM 0 HB1 ALA 5 40 33.208 8.584 5.565 1.00 11.96 H new ATOM 0 HB2 ALA 5 40 33.545 8.210 7.273 1.00 11.96 H new ATOM 0 HB3 ALA 5 40 34.698 9.184 6.331 1.00 11.96 H new ATOM 629 N LYS 5 41 34.634 7.673 3.498 1.00 12.73 N ATOM 630 CA LYS 5 41 35.234 7.895 2.132 1.00 12.34 C ATOM 631 C LYS 5 41 34.735 9.234 1.531 1.00 11.42 C ATOM 632 O LYS 5 41 34.086 10.021 2.200 1.00 12.35 O ATOM 633 CB LYS 5 41 34.876 6.717 1.222 1.00 15.66 C ATOM 634 CG LYS 5 41 35.402 5.411 1.842 1.00 17.23 C ATOM 635 CD LYS 5 41 36.938 5.424 1.899 1.00 21.83 C ATOM 636 CE LYS 5 41 37.428 4.384 2.919 1.00 24.86 C ATOM 637 NZ LYS 5 41 37.422 4.975 4.299 1.00 26.80 N ATOM 0 H LYS 5 41 33.631 7.846 3.561 1.00 12.73 H new ATOM 0 HA LYS 5 41 36.319 7.955 2.219 1.00 12.34 H new ATOM 0 HB2 LYS 5 41 33.795 6.660 1.091 1.00 15.66 H new ATOM 0 HB3 LYS 5 41 35.310 6.863 0.233 1.00 15.66 H new ATOM 0 HG2 LYS 5 41 34.996 5.288 2.846 1.00 17.23 H new ATOM 0 HG3 LYS 5 41 35.061 4.559 1.254 1.00 17.23 H new ATOM 0 HD2 LYS 5 41 37.350 5.204 0.914 1.00 21.83 H new ATOM 0 HD3 LYS 5 41 37.293 6.416 2.178 1.00 21.83 H new ATOM 0 HE2 LYS 5 41 36.787 3.503 2.889 1.00 24.86 H new ATOM 0 HE3 LYS 5 41 38.434 4.055 2.660 1.00 24.86 H new ATOM 0 HZ1 LYS 5 41 38.389 4.971 4.683 1.00 26.80 H new ATOM 0 HZ2 LYS 5 41 37.070 5.953 4.256 1.00 26.80 H new ATOM 0 HZ3 LYS 5 41 36.803 4.411 4.915 1.00 26.80 H new ATOM 651 N ARG 5 42 35.073 9.527 0.290 1.00 9.56 N ATOM 652 CA ARG 5 42 34.636 10.830 -0.326 1.00 9.93 C ATOM 653 C ARG 5 42 33.126 10.837 -0.522 1.00 7.40 C ATOM 654 O ARG 5 42 32.463 11.831 -0.286 1.00 9.71 O ATOM 655 CB ARG 5 42 35.293 11.043 -1.707 1.00 10.35 C ATOM 656 CG ARG 5 42 36.704 11.622 -1.526 1.00 13.91 C ATOM 657 CD ARG 5 42 37.201 12.250 -2.839 1.00 15.78 C ATOM 658 NE ARG 5 42 38.556 12.851 -2.598 1.00 21.96 N ATOM 659 CZ ARG 5 42 39.299 13.238 -3.594 1.00 24.68 C ATOM 660 NH1 ARG 5 42 38.845 13.188 -4.803 1.00 26.22 N ATOM 661 NH2 ARG 5 42 40.489 13.700 -3.374 1.00 25.19 N ATOM 0 H ARG 5 42 35.628 8.925 -0.318 1.00 9.56 H new ATOM 0 HA ARG 5 42 34.941 11.627 0.352 1.00 9.93 H new ATOM 0 HB2 ARG 5 42 35.344 10.097 -2.246 1.00 10.35 H new ATOM 0 HB3 ARG 5 42 34.686 11.720 -2.308 1.00 10.35 H new ATOM 0 HG2 ARG 5 42 36.697 12.374 -0.737 1.00 13.91 H new ATOM 0 HG3 ARG 5 42 37.389 10.835 -1.210 1.00 13.91 H new ATOM 0 HD2 ARG 5 42 37.256 11.495 -3.623 1.00 15.78 H new ATOM 0 HD3 ARG 5 42 36.503 13.014 -3.181 1.00 15.78 H new ATOM 0 HE ARG 5 42 38.898 12.957 -1.643 1.00 21.96 H new ATOM 0 HH11 ARG 5 42 37.901 12.844 -4.979 1.00 26.22 H new ATOM 0 HH12 ARG 5 42 39.431 13.492 -5.581 1.00 26.22 H new ATOM 0 HH21 ARG 5 42 40.844 13.761 -2.420 1.00 25.19 H new ATOM 0 HH22 ARG 5 42 41.071 14.003 -4.155 1.00 25.19 H new ATOM 675 N ASN 5 43 32.590 9.751 -1.011 1.00 7.80 N ATOM 676 CA ASN 5 43 31.117 9.666 -1.241 1.00 7.75 C ATOM 677 C ASN 5 43 30.458 9.812 0.133 1.00 7.34 C ATOM 678 O ASN 5 43 30.165 8.840 0.805 1.00 7.64 O ATOM 679 CB ASN 5 43 30.794 8.285 -1.834 1.00 8.94 C ATOM 680 CG ASN 5 43 29.511 8.310 -2.666 1.00 8.97 C ATOM 681 OD1 ASN 5 43 28.602 9.093 -2.433 1.00 9.17 O ATOM 682 ND2 ASN 5 43 29.392 7.456 -3.643 1.00 10.14 N ATOM 0 H ASN 5 43 33.113 8.912 -1.263 1.00 7.80 H new ATOM 0 HA ASN 5 43 30.761 10.435 -1.927 1.00 7.75 H new ATOM 0 HB2 ASN 5 43 31.625 7.954 -2.457 1.00 8.94 H new ATOM 0 HB3 ASN 5 43 30.690 7.559 -1.028 1.00 8.94 H new ATOM 0 HD21 ASN 5 43 28.543 7.443 -4.209 1.00 10.14 H new ATOM 0 HD22 ASN 5 43 30.147 6.800 -3.842 1.00 10.14 H new ATOM 689 N ASN 5 44 30.323 11.018 0.602 1.00 7.27 N ATOM 690 CA ASN 5 44 29.752 11.244 1.967 1.00 8.28 C ATOM 691 C ASN 5 44 29.157 12.657 2.034 1.00 7.79 C ATOM 692 O ASN 5 44 29.804 13.631 1.689 1.00 9.89 O ATOM 693 CB ASN 5 44 30.869 11.101 3.017 1.00 9.05 C ATOM 694 CG ASN 5 44 30.258 10.999 4.418 1.00 10.15 C ATOM 695 OD1 ASN 5 44 29.607 11.920 4.875 1.00 11.10 O ATOM 696 ND2 ASN 5 44 30.444 9.924 5.132 1.00 10.18 N ATOM 0 H ASN 5 44 30.584 11.866 0.099 1.00 7.27 H new ATOM 0 HA ASN 5 44 28.972 10.510 2.169 1.00 8.28 H new ATOM 0 HB2 ASN 5 44 31.467 10.214 2.806 1.00 9.05 H new ATOM 0 HB3 ASN 5 44 31.541 11.958 2.965 1.00 9.05 H new ATOM 0 HD21 ASN 5 44 30.045 9.858 6.068 1.00 10.18 H new ATOM 0 HD22 ASN 5 44 30.989 9.149 4.754 1.00 10.18 H new ATOM 703 N PHE 5 45 27.923 12.769 2.462 1.00 7.78 N ATOM 704 CA PHE 5 45 27.258 14.104 2.546 1.00 9.51 C ATOM 705 C PHE 5 45 26.378 14.146 3.798 1.00 10.10 C ATOM 706 O PHE 5 45 26.175 13.139 4.453 1.00 9.63 O ATOM 707 CB PHE 5 45 26.395 14.302 1.286 1.00 11.02 C ATOM 708 CG PHE 5 45 27.294 14.197 0.083 1.00 10.38 C ATOM 709 CD1 PHE 5 45 28.042 15.304 -0.320 1.00 11.42 C ATOM 710 CD2 PHE 5 45 27.426 12.980 -0.590 1.00 11.42 C ATOM 711 CE1 PHE 5 45 28.917 15.195 -1.402 1.00 11.73 C ATOM 712 CE2 PHE 5 45 28.305 12.868 -1.667 1.00 10.82 C ATOM 713 CZ PHE 5 45 29.049 13.978 -2.073 1.00 11.68 C ATOM 0 H PHE 5 45 27.344 11.984 2.759 1.00 7.78 H new ATOM 0 HA PHE 5 45 28.001 14.899 2.607 1.00 9.51 H new ATOM 0 HB2 PHE 5 45 25.609 13.548 1.241 1.00 11.02 H new ATOM 0 HB3 PHE 5 45 25.903 15.275 1.310 1.00 11.02 H new ATOM 0 HD1 PHE 5 45 27.944 16.243 0.204 1.00 11.42 H new ATOM 0 HD2 PHE 5 45 26.846 12.125 -0.276 1.00 11.42 H new ATOM 0 HE1 PHE 5 45 29.492 16.052 -1.720 1.00 11.73 H new ATOM 0 HE2 PHE 5 45 28.410 11.926 -2.185 1.00 10.82 H new ATOM 0 HZ PHE 5 45 29.728 13.895 -2.908 1.00 11.68 H new ATOM 723 N LYS 5 46 25.865 15.298 4.148 1.00 13.15 N ATOM 724 CA LYS 5 46 25.007 15.388 5.365 1.00 15.31 C ATOM 725 C LYS 5 46 23.540 15.530 4.957 1.00 14.98 C ATOM 726 O LYS 5 46 22.652 15.177 5.702 1.00 16.56 O ATOM 727 CB LYS 5 46 25.431 16.597 6.211 1.00 17.44 C ATOM 728 CG LYS 5 46 25.047 17.899 5.495 1.00 19.58 C ATOM 729 CD LYS 5 46 25.443 19.099 6.368 1.00 22.85 C ATOM 730 CE LYS 5 46 26.502 19.937 5.654 1.00 24.99 C ATOM 731 NZ LYS 5 46 27.853 19.427 6.023 1.00 27.16 N ATOM 0 H LYS 5 46 26.003 16.175 3.646 1.00 13.15 H new ATOM 0 HA LYS 5 46 25.127 14.479 5.954 1.00 15.31 H new ATOM 0 HB2 LYS 5 46 24.950 16.554 7.188 1.00 17.44 H new ATOM 0 HB3 LYS 5 46 26.507 16.571 6.384 1.00 17.44 H new ATOM 0 HG2 LYS 5 46 25.549 17.957 4.529 1.00 19.58 H new ATOM 0 HG3 LYS 5 46 23.975 17.916 5.299 1.00 19.58 H new ATOM 0 HD2 LYS 5 46 24.566 19.710 6.580 1.00 22.85 H new ATOM 0 HD3 LYS 5 46 25.828 18.751 7.326 1.00 22.85 H new ATOM 0 HE2 LYS 5 46 26.361 19.882 4.575 1.00 24.99 H new ATOM 0 HE3 LYS 5 46 26.405 20.986 5.936 1.00 24.99 H new ATOM 0 HZ1 LYS 5 46 28.581 19.992 5.541 1.00 27.16 H new ATOM 0 HZ2 LYS 5 46 27.983 19.501 7.052 1.00 27.16 H new ATOM 0 HZ3 LYS 5 46 27.939 18.432 5.734 1.00 27.16 H new ATOM 745 N SER 5 47 23.298 16.064 3.795 1.00 15.47 N ATOM 746 CA SER 5 47 21.897 16.220 3.298 1.00 15.09 C ATOM 747 C SER 5 47 21.865 15.800 1.829 1.00 14.56 C ATOM 748 O SER 5 47 22.878 15.808 1.139 1.00 13.03 O ATOM 749 CB SER 5 47 21.449 17.684 3.409 1.00 15.63 C ATOM 750 OG SER 5 47 21.792 18.374 2.206 1.00 16.91 O ATOM 0 H SER 5 47 24.018 16.405 3.157 1.00 15.47 H new ATOM 0 HA SER 5 47 21.226 15.603 3.896 1.00 15.09 H new ATOM 0 HB2 SER 5 47 20.373 17.736 3.578 1.00 15.63 H new ATOM 0 HB3 SER 5 47 21.929 18.160 4.264 1.00 15.63 H new ATOM 0 HG SER 5 47 22.293 19.187 2.427 1.00 16.91 H new ATOM 756 N ALA 5 48 20.713 15.430 1.345 1.00 14.50 N ATOM 757 CA ALA 5 48 20.597 15.020 -0.084 1.00 15.49 C ATOM 758 C ALA 5 48 20.803 16.267 -0.947 1.00 14.13 C ATOM 759 O ALA 5 48 21.372 16.201 -2.025 1.00 13.28 O ATOM 760 CB ALA 5 48 19.205 14.443 -0.338 1.00 16.34 C ATOM 0 H ALA 5 48 19.844 15.393 1.878 1.00 14.50 H new ATOM 0 HA ALA 5 48 21.341 14.261 -0.327 1.00 15.49 H new ATOM 0 HB1 ALA 5 48 19.120 14.143 -1.383 1.00 16.34 H new ATOM 0 HB2 ALA 5 48 19.049 13.575 0.302 1.00 16.34 H new ATOM 0 HB3 ALA 5 48 18.452 15.199 -0.115 1.00 16.34 H new ATOM 766 N GLU 5 49 20.330 17.385 -0.464 1.00 14.30 N ATOM 767 CA GLU 5 49 20.548 18.660 -1.173 1.00 16.73 C ATOM 768 C GLU 5 49 22.066 18.823 -1.360 1.00 14.46 C ATOM 769 O GLU 5 49 22.552 19.071 -2.450 1.00 14.56 O ATOM 770 CB GLU 5 49 20.028 19.826 -0.315 1.00 21.56 C ATOM 771 CG GLU 5 49 18.534 19.686 0.044 1.00 26.75 C ATOM 772 CD GLU 5 49 18.137 18.284 0.335 1.00 29.54 C ATOM 773 OE1 GLU 5 49 18.488 17.795 1.391 1.00 34.26 O ATOM 774 OE2 GLU 5 49 17.454 17.706 -0.483 1.00 32.40 O ATOM 0 H GLU 5 49 19.797 17.460 0.402 1.00 14.30 H new ATOM 0 HA GLU 5 49 20.025 18.660 -2.129 1.00 16.73 H new ATOM 0 HB2 GLU 5 49 20.613 19.885 0.603 1.00 21.56 H new ATOM 0 HB3 GLU 5 49 20.182 20.762 -0.852 1.00 21.56 H new ATOM 0 HG2 GLU 5 49 18.315 20.308 0.912 1.00 26.75 H new ATOM 0 HG3 GLU 5 49 17.930 20.065 -0.781 1.00 26.75 H new ATOM 781 N ASP 5 50 22.817 18.622 -0.299 1.00 14.10 N ATOM 782 CA ASP 5 50 24.309 18.730 -0.371 1.00 13.93 C ATOM 783 C ASP 5 50 24.888 17.792 -1.436 1.00 11.78 C ATOM 784 O ASP 5 50 25.637 18.204 -2.310 1.00 12.10 O ATOM 785 CB ASP 5 50 24.900 18.356 0.994 1.00 18.61 C ATOM 786 CG ASP 5 50 24.884 19.570 1.897 1.00 25.48 C ATOM 787 OD1 ASP 5 50 23.800 19.977 2.281 1.00 29.01 O ATOM 788 OD2 ASP 5 50 25.958 20.093 2.165 1.00 27.88 O ATOM 0 H ASP 5 50 22.453 18.385 0.624 1.00 14.10 H new ATOM 0 HA ASP 5 50 24.566 19.755 -0.640 1.00 13.93 H new ATOM 0 HB2 ASP 5 50 24.324 17.547 1.443 1.00 18.61 H new ATOM 0 HB3 ASP 5 50 25.920 17.992 0.874 1.00 18.61 H new ATOM 793 N CYS 5 51 24.580 16.522 -1.355 1.00 10.22 N ATOM 794 CA CYS 5 51 25.132 15.539 -2.346 1.00 10.57 C ATOM 795 C CYS 5 51 24.703 15.911 -3.777 1.00 11.23 C ATOM 796 O CYS 5 51 25.482 15.834 -4.719 1.00 11.33 O ATOM 797 CB CYS 5 51 24.585 14.145 -2.018 1.00 9.71 C ATOM 798 SG CYS 5 51 25.078 12.966 -3.305 1.00 10.82 S ATOM 0 H CYS 5 51 23.969 16.119 -0.645 1.00 10.22 H new ATOM 0 HA CYS 5 51 26.220 15.553 -2.286 1.00 10.57 H new ATOM 0 HB2 CYS 5 51 24.961 13.817 -1.049 1.00 9.71 H new ATOM 0 HB3 CYS 5 51 23.498 14.180 -1.943 1.00 9.71 H new ATOM 803 N MET 5 52 23.467 16.297 -3.951 1.00 12.19 N ATOM 804 CA MET 5 52 22.958 16.634 -5.320 1.00 15.04 C ATOM 805 C MET 5 52 23.640 17.899 -5.864 1.00 15.23 C ATOM 806 O MET 5 52 24.120 17.931 -6.988 1.00 16.42 O ATOM 807 CB MET 5 52 21.448 16.858 -5.231 1.00 16.60 C ATOM 808 CG MET 5 52 20.773 15.552 -4.793 1.00 19.07 C ATOM 809 SD MET 5 52 20.735 14.393 -6.183 1.00 21.60 S ATOM 810 CE MET 5 52 19.082 14.816 -6.793 1.00 20.98 C ATOM 0 H MET 5 52 22.782 16.395 -3.202 1.00 12.19 H new ATOM 0 HA MET 5 52 23.183 15.813 -6.001 1.00 15.04 H new ATOM 0 HB2 MET 5 52 21.227 17.653 -4.519 1.00 16.60 H new ATOM 0 HB3 MET 5 52 21.057 17.178 -6.197 1.00 16.60 H new ATOM 0 HG2 MET 5 52 21.315 15.113 -3.955 1.00 19.07 H new ATOM 0 HG3 MET 5 52 19.759 15.753 -4.446 1.00 19.07 H new ATOM 0 HE1 MET 5 52 18.849 14.207 -7.666 1.00 20.98 H new ATOM 0 HE2 MET 5 52 18.346 14.626 -6.012 1.00 20.98 H new ATOM 0 HE3 MET 5 52 19.055 15.870 -7.069 1.00 20.98 H new ATOM 820 N ARG 5 53 23.711 18.928 -5.062 1.00 17.25 N ATOM 821 CA ARG 5 53 24.353 20.205 -5.496 1.00 19.58 C ATOM 822 C ARG 5 53 25.882 20.045 -5.609 1.00 19.14 C ATOM 823 O ARG 5 53 26.533 20.805 -6.296 1.00 18.79 O ATOM 824 CB ARG 5 53 23.995 21.290 -4.456 1.00 21.70 C ATOM 825 CG ARG 5 53 25.171 22.251 -4.212 1.00 24.59 C ATOM 826 CD ARG 5 53 26.111 21.647 -3.161 1.00 26.49 C ATOM 827 NE ARG 5 53 25.650 22.039 -1.795 1.00 30.03 N ATOM 828 CZ ARG 5 53 26.090 21.421 -0.735 1.00 30.47 C ATOM 829 NH1 ARG 5 53 26.965 20.470 -0.834 1.00 30.70 N ATOM 830 NH2 ARG 5 53 25.650 21.753 0.436 1.00 31.82 N ATOM 0 H ARG 5 53 23.346 18.938 -4.110 1.00 17.25 H new ATOM 0 HA ARG 5 53 23.987 20.489 -6.483 1.00 19.58 H new ATOM 0 HB2 ARG 5 53 23.129 21.854 -4.802 1.00 21.70 H new ATOM 0 HB3 ARG 5 53 23.712 20.815 -3.517 1.00 21.70 H new ATOM 0 HG2 ARG 5 53 25.712 22.426 -5.142 1.00 24.59 H new ATOM 0 HG3 ARG 5 53 24.801 23.218 -3.872 1.00 24.59 H new ATOM 0 HD2 ARG 5 53 26.127 20.561 -3.253 1.00 26.49 H new ATOM 0 HD3 ARG 5 53 27.130 21.996 -3.326 1.00 26.49 H new ATOM 0 HE ARG 5 53 24.981 22.802 -1.690 1.00 30.03 H new ATOM 0 HH11 ARG 5 53 27.319 20.196 -1.751 1.00 30.70 H new ATOM 0 HH12 ARG 5 53 27.300 19.996 0.005 1.00 30.70 H new ATOM 0 HH21 ARG 5 53 24.959 22.498 0.529 1.00 31.82 H new ATOM 0 HH22 ARG 5 53 25.994 21.270 1.266 1.00 31.82 H new ATOM 844 N THR 5 54 26.466 19.084 -4.936 1.00 16.27 N ATOM 845 CA THR 5 54 27.959 18.933 -4.993 1.00 15.50 C ATOM 846 C THR 5 54 28.394 17.783 -5.918 1.00 14.44 C ATOM 847 O THR 5 54 29.186 17.973 -6.819 1.00 14.74 O ATOM 848 CB THR 5 54 28.501 18.680 -3.576 1.00 16.69 C ATOM 849 OG1 THR 5 54 27.650 19.303 -2.613 1.00 17.09 O ATOM 850 CG2 THR 5 54 29.905 19.269 -3.459 1.00 16.12 C ATOM 0 H THR 5 54 25.981 18.401 -4.353 1.00 16.27 H new ATOM 0 HA THR 5 54 28.368 19.857 -5.401 1.00 15.50 H new ATOM 0 HB THR 5 54 28.532 17.606 -3.391 1.00 16.69 H new ATOM 0 HG1 THR 5 54 27.027 18.640 -2.250 1.00 17.09 H new ATOM 0 HG21 THR 5 54 30.292 19.091 -2.456 1.00 16.12 H new ATOM 0 HG22 THR 5 54 30.560 18.795 -4.190 1.00 16.12 H new ATOM 0 HG23 THR 5 54 29.866 20.342 -3.648 1.00 16.12 H new ATOM 858 N CYS 5 55 27.932 16.585 -5.686 1.00 12.64 N ATOM 859 CA CYS 5 55 28.364 15.441 -6.541 1.00 14.57 C ATOM 860 C CYS 5 55 27.357 15.269 -7.653 1.00 16.68 C ATOM 861 O CYS 5 55 27.709 15.128 -8.816 1.00 17.00 O ATOM 862 CB CYS 5 55 28.407 14.161 -5.704 1.00 13.88 C ATOM 863 SG CYS 5 55 28.393 12.727 -6.804 1.00 13.03 S ATOM 0 H CYS 5 55 27.275 16.348 -4.943 1.00 12.64 H new ATOM 0 HA CYS 5 55 29.355 15.637 -6.951 1.00 14.57 H new ATOM 0 HB2 CYS 5 55 29.303 14.149 -5.083 1.00 13.88 H new ATOM 0 HB3 CYS 5 55 27.551 14.125 -5.030 1.00 13.88 H new ATOM 868 N GLY 5 56 26.102 15.291 -7.306 1.00 22.23 N ATOM 869 CA GLY 5 56 25.045 15.127 -8.342 1.00 26.06 C ATOM 870 C GLY 5 56 25.241 16.190 -9.426 1.00 29.57 C ATOM 871 O GLY 5 56 25.778 15.909 -10.487 1.00 31.26 O ATOM 0 H GLY 5 56 25.762 15.415 -6.352 1.00 22.23 H new ATOM 0 HA2 GLY 5 56 25.097 14.130 -8.779 1.00 26.06 H new ATOM 0 HA3 GLY 5 56 24.057 15.226 -7.891 1.00 26.06 H new ATOM 875 N GLY 5 57 24.804 17.401 -9.183 1.00 36.75 N ATOM 876 CA GLY 5 57 24.955 18.478 -10.213 1.00 40.04 C ATOM 877 C GLY 5 57 24.125 18.122 -11.456 1.00 43.19 C ATOM 878 O GLY 5 57 23.350 18.924 -11.942 1.00 44.36 O ATOM 0 H GLY 5 57 24.350 17.691 -8.317 1.00 36.75 H new ATOM 0 HA2 GLY 5 57 24.626 19.434 -9.805 1.00 40.04 H new ATOM 0 HA3 GLY 5 57 26.005 18.591 -10.484 1.00 40.04 H new ATOM 882 N ALA 5 58 24.275 16.923 -11.959 1.00 46.32 N ATOM 883 CA ALA 5 58 23.507 16.501 -13.172 1.00 46.11 C ATOM 884 C ALA 5 58 23.820 15.027 -13.503 1.00 47.14 C ATOM 885 O ALA 5 58 24.084 14.270 -12.583 1.00 47.19 O ATOM 886 CB ALA 5 58 23.909 17.394 -14.355 1.00 45.68 C ATOM 887 OXT ALA 5 58 23.793 14.673 -14.672 1.00 48.98 O ATOM 0 H ALA 5 58 24.901 16.213 -11.579 1.00 46.32 H new ATOM 0 HA ALA 5 58 22.438 16.601 -12.982 1.00 46.11 H new ATOM 0 HB1 ALA 5 58 23.354 17.093 -15.243 1.00 45.68 H new ATOM 0 HB2 ALA 5 58 23.681 18.434 -14.120 1.00 45.68 H new ATOM 0 HB3 ALA 5 58 24.978 17.290 -14.543 1.00 45.68 H new TER 893 ALA 5 58 HETATM 894 O HOH 5 59 32.019 6.109 -0.123 1.00 17.11 O HETATM 897 O HOH 5 60 31.765 6.421 2.316 1.00 12.53 O HETATM 900 O HOH 5 61 31.589 6.934 4.938 1.00 10.62 O HETATM 903 O HOH 5 62 33.116 3.285 10.598 1.00 11.08 O