USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 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= 0.204 K(o=1.2,f=-11!) USER MOD Set 1.2: 5 31 GLN : amide:sc= 0.982 K(o=1.2,f=-11) USER MOD Single : 5 1 ARG N :NH3+ -110:sc= -2.1! (180deg=-6.94!) USER MOD Single : 5 10 TYR OH : rot 180:sc= 0 USER MOD Single : 5 11 THR OG1 : rot -43:sc= 1.27 USER MOD Single : 5 15 LYS NZ :NH3+ -153:sc= -2.98! (180deg=-8.35!) USER MOD Single : 5 21 TYR OH : rot 180:sc= 0 USER MOD Single : 5 23 TYR OH : rot 0:sc= -2.58! USER MOD Single : 5 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 5 32 THR OG1 : rot 180:sc= 0 USER MOD Single : 5 35 TYR OH : rot -158:sc= -0.724 USER MOD Single : 5 41 LYS NZ :NH3+ -120:sc= -1.13! (180deg=-7.77!) USER MOD Single : 5 43 ASN : amide:sc= 2.69 K(o=2.7,f=-9.4!) USER MOD Single : 5 44 ASN : amide:sc= 1.2 K(o=1.2,f=-5.5!) USER MOD Single : 5 46 LYS NZ :NH3+ -114:sc=-0.00172 (180deg=-0.0123) USER MOD Single : 5 47 SER OG : rot -124:sc= 1.58 USER MOD Single : 5 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 5 54 THR OG1 : rot 101:sc= -3.63! USER MOD ----------------------------------------------------------------- ATOM 1 N ARG 5 1 28.410 14.835 -10.942 1.00 28.28 N ATOM 2 CA ARG 5 1 29.040 13.575 -10.452 1.00 27.90 C ATOM 3 C ARG 5 1 30.540 13.550 -10.807 1.00 24.90 C ATOM 4 O ARG 5 1 30.981 12.718 -11.573 1.00 24.44 O ATOM 5 CB ARG 5 1 28.321 12.370 -11.080 1.00 27.88 C ATOM 6 CG ARG 5 1 28.271 12.513 -12.608 1.00 29.61 C ATOM 7 CD ARG 5 1 27.555 11.307 -13.221 1.00 31.91 C ATOM 8 NE ARG 5 1 26.493 11.781 -14.170 1.00 33.51 N ATOM 9 CZ ARG 5 1 25.595 12.662 -13.815 1.00 34.29 C ATOM 10 NH1 ARG 5 1 25.439 12.990 -12.575 1.00 35.44 N ATOM 11 NH2 ARG 5 1 24.805 13.164 -14.704 1.00 34.48 N ATOM 0 H1 ARG 5 1 28.165 15.438 -10.131 1.00 28.28 H new ATOM 0 H2 ARG 5 1 29.078 15.340 -11.560 1.00 28.28 H new ATOM 0 H3 ARG 5 1 27.548 14.607 -11.477 1.00 28.28 H new ATOM 0 HA ARG 5 1 28.947 13.525 -9.367 1.00 27.90 H new ATOM 0 HB2 ARG 5 1 28.839 11.449 -10.811 1.00 27.88 H new ATOM 0 HB3 ARG 5 1 27.309 12.294 -10.682 1.00 27.88 H new ATOM 0 HG2 ARG 5 1 27.751 13.432 -12.879 1.00 29.61 H new ATOM 0 HG3 ARG 5 1 29.282 12.589 -13.008 1.00 29.61 H new ATOM 0 HD2 ARG 5 1 28.271 10.675 -13.747 1.00 31.91 H new ATOM 0 HD3 ARG 5 1 27.109 10.698 -12.435 1.00 31.91 H new ATOM 0 HE ARG 5 1 26.471 11.405 -15.118 1.00 33.51 H new ATOM 0 HH11 ARG 5 1 26.021 12.560 -11.857 1.00 35.44 H new ATOM 0 HH12 ARG 5 1 24.734 13.679 -12.315 1.00 35.44 H new ATOM 0 HH21 ARG 5 1 24.883 12.873 -15.678 1.00 34.48 H new ATOM 0 HH22 ARG 5 1 24.103 13.852 -14.432 1.00 34.48 H new ATOM 27 N PRO 5 2 31.315 14.465 -10.254 1.00 22.41 N ATOM 28 CA PRO 5 2 32.793 14.550 -10.511 1.00 19.52 C ATOM 29 C PRO 5 2 33.577 13.347 -9.941 1.00 17.70 C ATOM 30 O PRO 5 2 33.079 12.236 -9.885 1.00 16.41 O ATOM 31 CB PRO 5 2 33.221 15.859 -9.819 1.00 21.00 C ATOM 32 CG PRO 5 2 31.952 16.595 -9.522 1.00 20.91 C ATOM 33 CD PRO 5 2 30.881 15.526 -9.332 1.00 22.49 C ATOM 0 HA PRO 5 2 33.007 14.535 -11.580 1.00 19.52 H new ATOM 0 HB2 PRO 5 2 33.778 15.654 -8.905 1.00 21.00 H new ATOM 0 HB3 PRO 5 2 33.873 16.448 -10.464 1.00 21.00 H new ATOM 0 HG2 PRO 5 2 32.056 17.207 -8.626 1.00 20.91 H new ATOM 0 HG3 PRO 5 2 31.691 17.268 -10.339 1.00 20.91 H new ATOM 0 HD2 PRO 5 2 30.839 15.174 -8.301 1.00 22.49 H new ATOM 0 HD3 PRO 5 2 29.888 15.899 -9.583 1.00 22.49 H new ATOM 41 N ASP 5 3 34.803 13.563 -9.518 1.00 16.15 N ATOM 42 CA ASP 5 3 35.621 12.442 -8.961 1.00 17.15 C ATOM 43 C ASP 5 3 34.939 11.853 -7.724 1.00 13.33 C ATOM 44 O ASP 5 3 34.645 10.672 -7.678 1.00 12.36 O ATOM 45 CB ASP 5 3 37.025 12.954 -8.596 1.00 24.92 C ATOM 46 CG ASP 5 3 36.925 14.211 -7.729 1.00 31.50 C ATOM 47 OD1 ASP 5 3 36.422 15.207 -8.216 1.00 35.43 O ATOM 48 OD2 ASP 5 3 37.367 14.159 -6.593 1.00 35.71 O ATOM 0 H ASP 5 3 35.270 14.470 -9.536 1.00 16.15 H new ATOM 0 HA ASP 5 3 35.711 11.660 -9.715 1.00 17.15 H new ATOM 0 HB2 ASP 5 3 37.574 12.179 -8.062 1.00 24.92 H new ATOM 0 HB3 ASP 5 3 37.586 13.174 -9.504 1.00 24.92 H new ATOM 53 N PHE 5 4 34.684 12.658 -6.722 1.00 12.38 N ATOM 54 CA PHE 5 4 34.020 12.138 -5.483 1.00 13.61 C ATOM 55 C PHE 5 4 32.603 11.657 -5.826 1.00 13.10 C ATOM 56 O PHE 5 4 31.630 12.014 -5.188 1.00 13.82 O ATOM 57 CB PHE 5 4 33.967 13.245 -4.413 1.00 12.65 C ATOM 58 CG PHE 5 4 33.557 14.566 -5.031 1.00 12.81 C ATOM 59 CD1 PHE 5 4 34.530 15.443 -5.525 1.00 13.29 C ATOM 60 CD2 PHE 5 4 32.205 14.920 -5.095 1.00 12.38 C ATOM 61 CE1 PHE 5 4 34.149 16.667 -6.086 1.00 14.01 C ATOM 62 CE2 PHE 5 4 31.824 16.146 -5.652 1.00 14.62 C ATOM 63 CZ PHE 5 4 32.796 17.019 -6.149 1.00 13.69 C ATOM 0 H PHE 5 4 34.906 13.653 -6.707 1.00 12.38 H new ATOM 0 HA PHE 5 4 34.593 11.300 -5.087 1.00 13.61 H new ATOM 0 HB2 PHE 5 4 33.260 12.968 -3.631 1.00 12.65 H new ATOM 0 HB3 PHE 5 4 34.943 13.347 -3.939 1.00 12.65 H new ATOM 0 HD1 PHE 5 4 35.575 15.175 -5.473 1.00 13.29 H new ATOM 0 HD2 PHE 5 4 31.453 14.245 -4.713 1.00 12.38 H new ATOM 0 HE1 PHE 5 4 34.900 17.341 -6.471 1.00 14.01 H new ATOM 0 HE2 PHE 5 4 30.780 16.417 -5.698 1.00 14.62 H new ATOM 0 HZ PHE 5 4 32.503 17.964 -6.581 1.00 13.69 H new ATOM 73 N CYS 5 5 32.489 10.843 -6.837 1.00 12.49 N ATOM 74 CA CYS 5 5 31.150 10.326 -7.243 1.00 10.18 C ATOM 75 C CYS 5 5 31.291 8.924 -7.837 1.00 10.29 C ATOM 76 O CYS 5 5 30.349 8.385 -8.378 1.00 10.73 O ATOM 77 CB CYS 5 5 30.553 11.256 -8.298 1.00 10.74 C ATOM 78 SG CYS 5 5 30.287 12.894 -7.578 1.00 12.66 S ATOM 0 H CYS 5 5 33.269 10.511 -7.404 1.00 12.49 H new ATOM 0 HA CYS 5 5 30.501 10.284 -6.369 1.00 10.18 H new ATOM 0 HB2 CYS 5 5 31.223 11.328 -9.155 1.00 10.74 H new ATOM 0 HB3 CYS 5 5 29.610 10.850 -8.664 1.00 10.74 H new ATOM 83 N LEU 5 6 32.455 8.334 -7.742 1.00 10.75 N ATOM 84 CA LEU 5 6 32.661 6.963 -8.313 1.00 12.75 C ATOM 85 C LEU 5 6 32.847 5.925 -7.195 1.00 13.85 C ATOM 86 O LEU 5 6 32.249 4.868 -7.230 1.00 15.33 O ATOM 87 CB LEU 5 6 33.901 6.982 -9.205 1.00 14.73 C ATOM 88 CG LEU 5 6 33.606 7.800 -10.467 1.00 16.78 C ATOM 89 CD1 LEU 5 6 34.643 8.913 -10.614 1.00 17.42 C ATOM 90 CD2 LEU 5 6 33.662 6.886 -11.692 1.00 16.88 C ATOM 0 H LEU 5 6 33.275 8.741 -7.293 1.00 10.75 H new ATOM 0 HA LEU 5 6 31.781 6.685 -8.893 1.00 12.75 H new ATOM 0 HB2 LEU 5 6 34.744 7.415 -8.666 1.00 14.73 H new ATOM 0 HB3 LEU 5 6 34.184 5.965 -9.475 1.00 14.73 H new ATOM 0 HG LEU 5 6 32.613 8.241 -10.386 1.00 16.78 H new ATOM 0 HD11 LEU 5 6 34.430 9.492 -11.512 1.00 17.42 H new ATOM 0 HD12 LEU 5 6 34.602 9.566 -9.742 1.00 17.42 H new ATOM 0 HD13 LEU 5 6 35.638 8.475 -10.692 1.00 17.42 H new ATOM 0 HD21 LEU 5 6 33.452 7.468 -12.590 1.00 16.88 H new ATOM 0 HD22 LEU 5 6 34.655 6.443 -11.770 1.00 16.88 H new ATOM 0 HD23 LEU 5 6 32.919 6.095 -11.590 1.00 16.88 H new ATOM 102 N GLU 5 7 33.655 6.216 -6.200 1.00 12.79 N ATOM 103 CA GLU 5 7 33.862 5.235 -5.086 1.00 15.64 C ATOM 104 C GLU 5 7 32.504 4.876 -4.453 1.00 12.90 C ATOM 105 O GLU 5 7 31.738 5.746 -4.069 1.00 12.97 O ATOM 106 CB GLU 5 7 34.807 5.836 -4.026 1.00 17.43 C ATOM 107 CG GLU 5 7 34.732 7.371 -4.042 1.00 19.72 C ATOM 108 CD GLU 5 7 34.850 7.919 -2.615 1.00 20.46 C ATOM 109 OE1 GLU 5 7 33.861 7.879 -1.900 1.00 18.99 O ATOM 110 OE2 GLU 5 7 35.921 8.375 -2.257 1.00 22.37 O ATOM 0 H GLU 5 7 34.178 7.087 -6.112 1.00 12.79 H new ATOM 0 HA GLU 5 7 34.317 4.328 -5.483 1.00 15.64 H new ATOM 0 HB2 GLU 5 7 34.537 5.464 -3.038 1.00 17.43 H new ATOM 0 HB3 GLU 5 7 35.830 5.515 -4.219 1.00 17.43 H new ATOM 0 HG2 GLU 5 7 35.532 7.775 -4.663 1.00 19.72 H new ATOM 0 HG3 GLU 5 7 33.790 7.692 -4.487 1.00 19.72 H new ATOM 117 N PRO 5 8 32.201 3.595 -4.366 1.00 13.23 N ATOM 118 CA PRO 5 8 30.905 3.107 -3.796 1.00 13.50 C ATOM 119 C PRO 5 8 30.770 3.423 -2.300 1.00 12.26 C ATOM 120 O PRO 5 8 31.752 3.621 -1.611 1.00 11.77 O ATOM 121 CB PRO 5 8 30.941 1.589 -4.026 1.00 15.10 C ATOM 122 CG PRO 5 8 32.384 1.244 -4.189 1.00 16.05 C ATOM 123 CD PRO 5 8 33.060 2.475 -4.793 1.00 15.37 C ATOM 0 HA PRO 5 8 30.052 3.593 -4.269 1.00 13.50 H new ATOM 0 HB2 PRO 5 8 30.502 1.054 -3.184 1.00 15.10 H new ATOM 0 HB3 PRO 5 8 30.369 1.313 -4.912 1.00 15.10 H new ATOM 0 HG2 PRO 5 8 32.832 0.987 -3.229 1.00 16.05 H new ATOM 0 HG3 PRO 5 8 32.504 0.377 -4.839 1.00 16.05 H new ATOM 0 HD2 PRO 5 8 34.080 2.591 -4.426 1.00 15.37 H new ATOM 0 HD3 PRO 5 8 33.117 2.407 -5.879 1.00 15.37 H new ATOM 131 N PRO 5 9 29.555 3.456 -1.801 1.00 11.39 N ATOM 132 CA PRO 5 9 29.275 3.754 -0.364 1.00 11.12 C ATOM 133 C PRO 5 9 30.240 3.022 0.589 1.00 10.17 C ATOM 134 O PRO 5 9 30.571 1.876 0.379 1.00 12.88 O ATOM 135 CB PRO 5 9 27.841 3.255 -0.141 1.00 11.43 C ATOM 136 CG PRO 5 9 27.252 2.956 -1.490 1.00 12.21 C ATOM 137 CD PRO 5 9 28.324 3.204 -2.557 1.00 11.84 C ATOM 0 HA PRO 5 9 29.403 4.816 -0.154 1.00 11.12 H new ATOM 0 HB2 PRO 5 9 27.839 2.362 0.485 1.00 11.43 H new ATOM 0 HB3 PRO 5 9 27.249 4.009 0.377 1.00 11.43 H new ATOM 0 HG2 PRO 5 9 26.908 1.922 -1.532 1.00 12.21 H new ATOM 0 HG3 PRO 5 9 26.383 3.589 -1.672 1.00 12.21 H new ATOM 0 HD2 PRO 5 9 28.434 2.342 -3.215 1.00 11.84 H new ATOM 0 HD3 PRO 5 9 28.066 4.055 -3.187 1.00 11.84 H new ATOM 145 N TYR 5 10 30.681 3.671 1.632 1.00 9.53 N ATOM 146 CA TYR 5 10 31.612 3.007 2.592 1.00 10.73 C ATOM 147 C TYR 5 10 31.112 3.242 4.023 1.00 9.35 C ATOM 148 O TYR 5 10 31.155 4.346 4.540 1.00 9.61 O ATOM 149 CB TYR 5 10 33.013 3.600 2.415 1.00 12.55 C ATOM 150 CG TYR 5 10 34.040 2.737 3.106 1.00 14.36 C ATOM 151 CD1 TYR 5 10 34.628 1.663 2.424 1.00 16.08 C ATOM 152 CD2 TYR 5 10 34.422 3.024 4.422 1.00 14.93 C ATOM 153 CE1 TYR 5 10 35.596 0.878 3.061 1.00 16.73 C ATOM 154 CE2 TYR 5 10 35.389 2.236 5.057 1.00 15.90 C ATOM 155 CZ TYR 5 10 35.975 1.166 4.376 1.00 17.33 C ATOM 156 OH TYR 5 10 36.929 0.394 5.000 1.00 19.17 O ATOM 0 H TYR 5 10 30.437 4.634 1.862 1.00 9.53 H new ATOM 0 HA TYR 5 10 31.650 1.934 2.402 1.00 10.73 H new ATOM 0 HB2 TYR 5 10 33.250 3.680 1.354 1.00 12.55 H new ATOM 0 HB3 TYR 5 10 33.042 4.610 2.825 1.00 12.55 H new ATOM 0 HD1 TYR 5 10 34.335 1.441 1.408 1.00 16.08 H new ATOM 0 HD2 TYR 5 10 33.971 3.853 4.947 1.00 14.93 H new ATOM 0 HE1 TYR 5 10 36.050 0.050 2.537 1.00 16.73 H new ATOM 0 HE2 TYR 5 10 35.682 2.455 6.073 1.00 15.90 H new ATOM 0 HH TYR 5 10 37.077 0.729 5.909 1.00 19.17 H new ATOM 166 N THR 5 11 30.630 2.213 4.665 1.00 10.38 N ATOM 167 CA THR 5 11 30.121 2.368 6.058 1.00 12.46 C ATOM 168 C THR 5 11 31.309 2.357 7.027 1.00 11.29 C ATOM 169 O THR 5 11 31.371 3.153 7.948 1.00 11.82 O ATOM 170 CB THR 5 11 29.161 1.214 6.388 1.00 13.67 C ATOM 171 OG1 THR 5 11 27.919 1.423 5.723 1.00 15.23 O ATOM 172 CG2 THR 5 11 28.915 1.151 7.897 1.00 14.27 C ATOM 0 H THR 5 11 30.567 1.269 4.284 1.00 10.38 H new ATOM 0 HA THR 5 11 29.583 3.311 6.154 1.00 12.46 H new ATOM 0 HB THR 5 11 29.608 0.277 6.055 1.00 13.67 H new ATOM 0 HG1 THR 5 11 27.655 2.363 5.811 1.00 15.23 H new ATOM 0 HG21 THR 5 11 28.234 0.330 8.121 1.00 14.27 H new ATOM 0 HG22 THR 5 11 29.861 0.988 8.413 1.00 14.27 H new ATOM 0 HG23 THR 5 11 28.475 2.090 8.233 1.00 14.27 H new ATOM 180 N GLY 5 12 32.256 1.476 6.818 1.00 12.43 N ATOM 181 CA GLY 5 12 33.450 1.429 7.723 1.00 13.15 C ATOM 182 C GLY 5 12 33.287 0.353 8.811 1.00 12.80 C ATOM 183 O GLY 5 12 32.203 -0.167 9.053 1.00 12.30 O ATOM 0 H GLY 5 12 32.256 0.789 6.064 1.00 12.43 H new ATOM 0 HA2 GLY 5 12 34.345 1.223 7.136 1.00 13.15 H new ATOM 0 HA3 GLY 5 12 33.593 2.403 8.191 1.00 13.15 H new ATOM 187 N PRO 5 13 34.376 0.023 9.469 1.00 14.49 N ATOM 188 CA PRO 5 13 34.400 -1.006 10.559 1.00 13.95 C ATOM 189 C PRO 5 13 33.525 -0.626 11.765 1.00 13.29 C ATOM 190 O PRO 5 13 32.820 -1.458 12.309 1.00 14.10 O ATOM 191 CB PRO 5 13 35.878 -1.089 10.972 1.00 13.23 C ATOM 192 CG PRO 5 13 36.521 0.157 10.456 1.00 14.60 C ATOM 193 CD PRO 5 13 35.709 0.603 9.240 1.00 13.98 C ATOM 0 HA PRO 5 13 33.994 -1.954 10.207 1.00 13.95 H new ATOM 0 HB2 PRO 5 13 35.977 -1.159 12.055 1.00 13.23 H new ATOM 0 HB3 PRO 5 13 36.352 -1.976 10.551 1.00 13.23 H new ATOM 0 HG2 PRO 5 13 36.529 0.933 11.221 1.00 14.60 H new ATOM 0 HG3 PRO 5 13 37.559 -0.029 10.180 1.00 14.60 H new ATOM 0 HD2 PRO 5 13 35.664 1.690 9.167 1.00 13.98 H new ATOM 0 HD3 PRO 5 13 36.148 0.239 8.311 1.00 13.98 H new ATOM 201 N CYS 5 14 33.547 0.616 12.180 1.00 12.13 N ATOM 202 CA CYS 5 14 32.703 1.034 13.350 1.00 13.10 C ATOM 203 C CYS 5 14 31.220 0.812 13.031 1.00 14.28 C ATOM 204 O CYS 5 14 30.839 0.653 11.893 1.00 14.31 O ATOM 205 CB CYS 5 14 32.938 2.519 13.655 1.00 11.97 C ATOM 206 SG CYS 5 14 34.705 2.811 13.916 1.00 12.63 S ATOM 0 H CYS 5 14 34.109 1.358 11.764 1.00 12.13 H new ATOM 0 HA CYS 5 14 32.980 0.435 14.217 1.00 13.10 H new ATOM 0 HB2 CYS 5 14 32.575 3.132 12.830 1.00 11.97 H new ATOM 0 HB3 CYS 5 14 32.375 2.812 14.541 1.00 11.97 H new ATOM 211 N LYS 5 15 30.381 0.795 14.022 1.00 15.59 N ATOM 212 CA LYS 5 15 28.927 0.581 13.765 1.00 16.40 C ATOM 213 C LYS 5 15 28.095 1.559 14.604 1.00 14.53 C ATOM 214 O LYS 5 15 27.263 1.169 15.397 1.00 16.12 O ATOM 215 CB LYS 5 15 28.554 -0.869 14.106 1.00 20.41 C ATOM 216 CG LYS 5 15 29.360 -1.830 13.218 1.00 23.07 C ATOM 217 CD LYS 5 15 28.827 -1.773 11.778 1.00 26.62 C ATOM 218 CE LYS 5 15 29.901 -2.263 10.799 1.00 30.12 C ATOM 219 NZ LYS 5 15 31.087 -1.361 10.879 1.00 33.66 N ATOM 0 H LYS 5 15 30.635 0.920 15.002 1.00 15.59 H new ATOM 0 HA LYS 5 15 28.715 0.764 12.711 1.00 16.40 H new ATOM 0 HB2 LYS 5 15 28.759 -1.070 15.157 1.00 20.41 H new ATOM 0 HB3 LYS 5 15 27.486 -1.026 13.954 1.00 20.41 H new ATOM 0 HG2 LYS 5 15 30.416 -1.559 13.236 1.00 23.07 H new ATOM 0 HG3 LYS 5 15 29.285 -2.847 13.604 1.00 23.07 H new ATOM 0 HD2 LYS 5 15 27.933 -2.390 11.688 1.00 26.62 H new ATOM 0 HD3 LYS 5 15 28.536 -0.752 11.530 1.00 26.62 H new ATOM 0 HE2 LYS 5 15 30.190 -3.286 11.040 1.00 30.12 H new ATOM 0 HE3 LYS 5 15 29.506 -2.275 9.783 1.00 30.12 H new ATOM 0 HZ1 LYS 5 15 31.595 -1.374 9.971 1.00 33.66 H new ATOM 0 HZ2 LYS 5 15 30.773 -0.392 11.086 1.00 33.66 H new ATOM 0 HZ3 LYS 5 15 31.721 -1.688 11.635 1.00 33.66 H new ATOM 233 N ALA 5 16 28.305 2.835 14.412 1.00 12.01 N ATOM 234 CA ALA 5 16 27.532 3.850 15.174 1.00 12.90 C ATOM 235 C ALA 5 16 26.274 4.228 14.384 1.00 12.51 C ATOM 236 O ALA 5 16 26.285 4.299 13.178 1.00 13.19 O ATOM 237 CB ALA 5 16 28.411 5.083 15.393 1.00 11.07 C ATOM 0 H ALA 5 16 28.985 3.217 13.754 1.00 12.01 H new ATOM 0 HA ALA 5 16 27.233 3.446 16.141 1.00 12.90 H new ATOM 0 HB1 ALA 5 16 27.852 5.834 15.952 1.00 11.07 H new ATOM 0 HB2 ALA 5 16 29.301 4.800 15.955 1.00 11.07 H new ATOM 0 HB3 ALA 5 16 28.707 5.495 14.428 1.00 11.07 H new ATOM 243 N ARG 5 17 25.192 4.445 15.058 1.00 12.27 N ATOM 244 CA ARG 5 17 23.918 4.800 14.356 1.00 13.57 C ATOM 245 C ARG 5 17 24.032 6.190 13.700 1.00 11.67 C ATOM 246 O ARG 5 17 23.258 7.084 13.985 1.00 13.64 O ATOM 247 CB ARG 5 17 22.750 4.792 15.361 1.00 15.95 C ATOM 248 CG ARG 5 17 22.086 3.410 15.376 1.00 21.32 C ATOM 249 CD ARG 5 17 22.713 2.552 16.475 1.00 25.64 C ATOM 250 NE ARG 5 17 22.512 1.097 16.157 1.00 32.90 N ATOM 251 CZ ARG 5 17 21.338 0.613 15.875 1.00 35.77 C ATOM 252 NH1 ARG 5 17 20.276 1.335 16.021 1.00 36.81 N ATOM 253 NH2 ARG 5 17 21.229 -0.619 15.491 1.00 36.79 N ATOM 0 H ARG 5 17 25.124 4.394 16.074 1.00 12.27 H new ATOM 0 HA ARG 5 17 23.731 4.061 13.577 1.00 13.57 H new ATOM 0 HB2 ARG 5 17 23.114 5.041 16.358 1.00 15.95 H new ATOM 0 HB3 ARG 5 17 22.019 5.554 15.089 1.00 15.95 H new ATOM 0 HG2 ARG 5 17 21.014 3.512 15.547 1.00 21.32 H new ATOM 0 HG3 ARG 5 17 22.209 2.926 14.407 1.00 21.32 H new ATOM 0 HD2 ARG 5 17 23.777 2.772 16.559 1.00 25.64 H new ATOM 0 HD3 ARG 5 17 22.261 2.790 17.438 1.00 25.64 H new ATOM 0 HE ARG 5 17 23.318 0.472 16.162 1.00 32.90 H new ATOM 0 HH11 ARG 5 17 20.354 2.294 16.360 1.00 36.81 H new ATOM 0 HH12 ARG 5 17 19.360 0.946 15.797 1.00 36.81 H new ATOM 0 HH21 ARG 5 17 22.061 -1.204 15.411 1.00 36.79 H new ATOM 0 HH22 ARG 5 17 20.311 -1.005 15.268 1.00 36.79 H new ATOM 267 N ILE 5 18 24.965 6.365 12.799 1.00 10.78 N ATOM 268 CA ILE 5 18 25.104 7.686 12.118 1.00 10.61 C ATOM 269 C ILE 5 18 24.548 7.605 10.691 1.00 10.94 C ATOM 270 O ILE 5 18 25.247 7.255 9.753 1.00 10.62 O ATOM 271 CB ILE 5 18 26.582 8.091 12.079 1.00 11.97 C ATOM 272 CG1 ILE 5 18 27.108 8.258 13.512 1.00 13.12 C ATOM 273 CG2 ILE 5 18 26.730 9.416 11.325 1.00 10.95 C ATOM 274 CD1 ILE 5 18 28.529 8.829 13.484 1.00 13.42 C ATOM 0 H ILE 5 18 25.634 5.653 12.507 1.00 10.78 H new ATOM 0 HA ILE 5 18 24.539 8.435 12.673 1.00 10.61 H new ATOM 0 HB ILE 5 18 27.155 7.316 11.570 1.00 11.97 H new ATOM 0 HG12 ILE 5 18 26.451 8.922 14.074 1.00 13.12 H new ATOM 0 HG13 ILE 5 18 27.104 7.296 14.024 1.00 13.12 H new ATOM 0 HG21 ILE 5 18 27.781 9.704 11.298 1.00 10.95 H new ATOM 0 HG22 ILE 5 18 26.359 9.299 10.307 1.00 10.95 H new ATOM 0 HG23 ILE 5 18 26.155 10.190 11.833 1.00 10.95 H new ATOM 0 HD11 ILE 5 18 28.895 8.944 14.504 1.00 13.42 H new ATOM 0 HD12 ILE 5 18 29.184 8.149 12.938 1.00 13.42 H new ATOM 0 HD13 ILE 5 18 28.521 9.800 12.989 1.00 13.42 H new ATOM 286 N ILE 5 19 23.290 7.937 10.522 1.00 10.63 N ATOM 287 CA ILE 5 19 22.671 7.900 9.159 1.00 11.65 C ATOM 288 C ILE 5 19 23.118 9.144 8.371 1.00 10.38 C ATOM 289 O ILE 5 19 23.101 10.250 8.880 1.00 12.22 O ATOM 290 CB ILE 5 19 21.140 7.894 9.264 1.00 13.30 C ATOM 291 CG1 ILE 5 19 20.685 7.152 10.530 1.00 15.24 C ATOM 292 CG2 ILE 5 19 20.565 7.192 8.034 1.00 13.64 C ATOM 293 CD1 ILE 5 19 21.031 5.661 10.418 1.00 16.83 C ATOM 0 H ILE 5 19 22.664 8.233 11.271 1.00 10.63 H new ATOM 0 HA ILE 5 19 22.993 6.992 8.648 1.00 11.65 H new ATOM 0 HB ILE 5 19 20.783 8.923 9.318 1.00 13.30 H new ATOM 0 HG12 ILE 5 19 21.170 7.581 11.407 1.00 15.24 H new ATOM 0 HG13 ILE 5 19 19.611 7.275 10.667 1.00 15.24 H new ATOM 0 HG21 ILE 5 19 19.477 7.181 8.097 1.00 13.64 H new ATOM 0 HG22 ILE 5 19 20.871 7.725 7.134 1.00 13.64 H new ATOM 0 HG23 ILE 5 19 20.936 6.168 7.993 1.00 13.64 H new ATOM 0 HD11 ILE 5 19 20.705 5.143 11.320 1.00 16.83 H new ATOM 0 HD12 ILE 5 19 20.526 5.234 9.552 1.00 16.83 H new ATOM 0 HD13 ILE 5 19 22.109 5.545 10.303 1.00 16.83 H new ATOM 305 N ARG 5 20 23.532 8.969 7.144 1.00 10.55 N ATOM 306 CA ARG 5 20 23.999 10.133 6.330 1.00 10.78 C ATOM 307 C ARG 5 20 23.526 9.974 4.876 1.00 9.27 C ATOM 308 O ARG 5 20 22.810 9.041 4.537 1.00 10.69 O ATOM 309 CB ARG 5 20 25.538 10.214 6.357 1.00 9.44 C ATOM 310 CG ARG 5 20 26.057 10.325 7.802 1.00 10.78 C ATOM 311 CD ARG 5 20 26.343 11.789 8.151 1.00 12.14 C ATOM 312 NE ARG 5 20 27.324 12.339 7.160 1.00 13.47 N ATOM 313 CZ ARG 5 20 27.611 13.606 7.119 1.00 14.63 C ATOM 314 NH1 ARG 5 20 27.042 14.439 7.932 1.00 15.39 N ATOM 315 NH2 ARG 5 20 28.466 14.033 6.242 1.00 14.38 N ATOM 0 H ARG 5 20 23.567 8.068 6.668 1.00 10.55 H new ATOM 0 HA ARG 5 20 23.582 11.047 6.753 1.00 10.78 H new ATOM 0 HB2 ARG 5 20 25.961 9.329 5.881 1.00 9.44 H new ATOM 0 HB3 ARG 5 20 25.871 11.076 5.779 1.00 9.44 H new ATOM 0 HG2 ARG 5 20 25.320 9.916 8.493 1.00 10.78 H new ATOM 0 HG3 ARG 5 20 26.965 9.732 7.917 1.00 10.78 H new ATOM 0 HD2 ARG 5 20 25.420 12.369 8.130 1.00 12.14 H new ATOM 0 HD3 ARG 5 20 26.745 11.865 9.161 1.00 12.14 H new ATOM 0 HE ARG 5 20 27.777 11.704 6.503 1.00 13.47 H new ATOM 0 HH11 ARG 5 20 26.361 14.103 8.613 1.00 15.39 H new ATOM 0 HH12 ARG 5 20 27.275 15.431 7.891 1.00 15.39 H new ATOM 0 HH21 ARG 5 20 28.904 13.377 5.595 1.00 14.38 H new ATOM 0 HH22 ARG 5 20 28.700 15.025 6.199 1.00 14.38 H new ATOM 329 N TYR 5 21 23.920 10.882 4.019 1.00 9.20 N ATOM 330 CA TYR 5 21 23.505 10.807 2.582 1.00 8.22 C ATOM 331 C TYR 5 21 24.738 10.586 1.697 1.00 8.71 C ATOM 332 O TYR 5 21 25.816 11.072 1.988 1.00 8.47 O ATOM 333 CB TYR 5 21 22.836 12.127 2.183 1.00 9.14 C ATOM 334 CG TYR 5 21 21.604 12.355 3.022 1.00 10.30 C ATOM 335 CD1 TYR 5 21 21.734 12.724 4.361 1.00 10.02 C ATOM 336 CD2 TYR 5 21 20.337 12.202 2.459 1.00 10.29 C ATOM 337 CE1 TYR 5 21 20.597 12.941 5.137 1.00 11.24 C ATOM 338 CE2 TYR 5 21 19.198 12.421 3.237 1.00 11.46 C ATOM 339 CZ TYR 5 21 19.330 12.791 4.575 1.00 12.26 C ATOM 340 OH TYR 5 21 18.209 13.007 5.341 1.00 13.81 O ATOM 0 H TYR 5 21 24.515 11.677 4.253 1.00 9.20 H new ATOM 0 HA TYR 5 21 22.809 9.979 2.450 1.00 8.22 H new ATOM 0 HB2 TYR 5 21 23.535 12.953 2.316 1.00 9.14 H new ATOM 0 HB3 TYR 5 21 22.568 12.104 1.127 1.00 9.14 H new ATOM 0 HD1 TYR 5 21 22.715 12.841 4.796 1.00 10.02 H new ATOM 0 HD2 TYR 5 21 20.237 11.915 1.423 1.00 10.29 H new ATOM 0 HE1 TYR 5 21 20.697 13.225 6.174 1.00 11.24 H new ATOM 0 HE2 TYR 5 21 18.216 12.304 2.803 1.00 11.46 H new ATOM 0 HH TYR 5 21 17.407 12.861 4.796 1.00 13.81 H new ATOM 350 N PHE 5 22 24.586 9.873 0.611 1.00 7.43 N ATOM 351 CA PHE 5 22 25.749 9.636 -0.296 1.00 6.76 C ATOM 352 C PHE 5 22 25.303 9.743 -1.761 1.00 7.20 C ATOM 353 O PHE 5 22 24.143 9.991 -2.056 1.00 7.41 O ATOM 354 CB PHE 5 22 26.340 8.245 -0.023 1.00 6.59 C ATOM 355 CG PHE 5 22 25.565 7.194 -0.783 1.00 7.76 C ATOM 356 CD1 PHE 5 22 24.292 6.810 -0.346 1.00 8.78 C ATOM 357 CD2 PHE 5 22 26.117 6.611 -1.929 1.00 8.47 C ATOM 358 CE1 PHE 5 22 23.570 5.843 -1.057 1.00 9.59 C ATOM 359 CE2 PHE 5 22 25.395 5.644 -2.642 1.00 9.15 C ATOM 360 CZ PHE 5 22 24.121 5.261 -2.207 1.00 9.79 C ATOM 0 H PHE 5 22 23.709 9.445 0.313 1.00 7.43 H new ATOM 0 HA PHE 5 22 26.512 10.391 -0.107 1.00 6.76 H new ATOM 0 HB2 PHE 5 22 27.388 8.222 -0.321 1.00 6.59 H new ATOM 0 HB3 PHE 5 22 26.308 8.031 1.045 1.00 6.59 H new ATOM 0 HD1 PHE 5 22 23.867 7.259 0.539 1.00 8.78 H new ATOM 0 HD2 PHE 5 22 27.100 6.906 -2.264 1.00 8.47 H new ATOM 0 HE1 PHE 5 22 22.588 5.546 -0.719 1.00 9.59 H new ATOM 0 HE2 PHE 5 22 25.822 5.195 -3.527 1.00 9.15 H new ATOM 0 HZ PHE 5 22 23.563 4.518 -2.757 1.00 9.79 H new ATOM 370 N TYR 5 23 26.220 9.563 -2.678 1.00 8.20 N ATOM 371 CA TYR 5 23 25.878 9.655 -4.132 1.00 7.28 C ATOM 372 C TYR 5 23 25.833 8.250 -4.748 1.00 7.57 C ATOM 373 O TYR 5 23 26.824 7.537 -4.764 1.00 8.16 O ATOM 374 CB TYR 5 23 26.952 10.493 -4.831 1.00 9.85 C ATOM 375 CG TYR 5 23 26.729 10.488 -6.325 1.00 9.96 C ATOM 376 CD1 TYR 5 23 25.613 11.130 -6.869 1.00 11.33 C ATOM 377 CD2 TYR 5 23 27.648 9.858 -7.165 1.00 10.97 C ATOM 378 CE1 TYR 5 23 25.419 11.136 -8.252 1.00 11.73 C ATOM 379 CE2 TYR 5 23 27.454 9.868 -8.546 1.00 11.27 C ATOM 380 CZ TYR 5 23 26.340 10.507 -9.088 1.00 11.91 C ATOM 381 OH TYR 5 23 26.150 10.514 -10.453 1.00 14.10 O ATOM 0 H TYR 5 23 27.199 9.355 -2.481 1.00 8.20 H new ATOM 0 HA TYR 5 23 24.901 10.121 -4.255 1.00 7.28 H new ATOM 0 HB2 TYR 5 23 26.926 11.516 -4.456 1.00 9.85 H new ATOM 0 HB3 TYR 5 23 27.940 10.094 -4.602 1.00 9.85 H new ATOM 0 HD1 TYR 5 23 24.902 11.621 -6.221 1.00 11.33 H new ATOM 0 HD2 TYR 5 23 28.511 9.362 -6.745 1.00 10.97 H new ATOM 0 HE1 TYR 5 23 24.555 11.628 -8.674 1.00 11.73 H new ATOM 0 HE2 TYR 5 23 28.167 9.381 -9.195 1.00 11.27 H new ATOM 0 HH TYR 5 23 25.326 11.000 -10.666 1.00 14.10 H new ATOM 391 N ASN 5 24 24.694 7.846 -5.258 1.00 7.53 N ATOM 392 CA ASN 5 24 24.581 6.490 -5.873 1.00 8.25 C ATOM 393 C ASN 5 24 24.927 6.563 -7.368 1.00 9.26 C ATOM 394 O ASN 5 24 24.061 6.718 -8.219 1.00 9.06 O ATOM 395 CB ASN 5 24 23.149 5.972 -5.700 1.00 9.60 C ATOM 396 CG ASN 5 24 23.057 4.518 -6.163 1.00 10.11 C ATOM 397 OD1 ASN 5 24 23.909 4.038 -6.887 1.00 13.10 O ATOM 398 ND2 ASN 5 24 22.049 3.792 -5.777 1.00 12.51 N ATOM 0 H ASN 5 24 23.837 8.400 -5.274 1.00 7.53 H new ATOM 0 HA ASN 5 24 25.277 5.811 -5.380 1.00 8.25 H new ATOM 0 HB2 ASN 5 24 22.850 6.049 -4.655 1.00 9.60 H new ATOM 0 HB3 ASN 5 24 22.459 6.589 -6.275 1.00 9.60 H new ATOM 0 HD21 ASN 5 24 21.973 2.821 -6.081 1.00 12.51 H new ATOM 0 HD22 ASN 5 24 21.334 4.193 -5.170 1.00 12.51 H new ATOM 405 N ALA 5 25 26.186 6.446 -7.697 1.00 10.90 N ATOM 406 CA ALA 5 25 26.594 6.502 -9.131 1.00 12.18 C ATOM 407 C ALA 5 25 26.059 5.281 -9.890 1.00 11.03 C ATOM 408 O ALA 5 25 26.090 5.243 -11.102 1.00 12.22 O ATOM 409 CB ALA 5 25 28.118 6.510 -9.216 1.00 11.38 C ATOM 0 H ALA 5 25 26.950 6.314 -7.034 1.00 10.90 H new ATOM 0 HA ALA 5 25 26.183 7.407 -9.579 1.00 12.18 H new ATOM 0 HB1 ALA 5 25 28.424 6.551 -10.261 1.00 11.38 H new ATOM 0 HB2 ALA 5 25 28.507 7.382 -8.690 1.00 11.38 H new ATOM 0 HB3 ALA 5 25 28.513 5.603 -8.758 1.00 11.38 H new ATOM 415 N LYS 5 26 25.585 4.285 -9.193 1.00 10.74 N ATOM 416 CA LYS 5 26 25.060 3.077 -9.887 1.00 13.89 C ATOM 417 C LYS 5 26 23.775 3.427 -10.654 1.00 13.64 C ATOM 418 O LYS 5 26 23.398 2.738 -11.582 1.00 15.07 O ATOM 419 CB LYS 5 26 24.773 1.988 -8.851 1.00 18.92 C ATOM 420 CG LYS 5 26 25.332 0.655 -9.349 1.00 23.44 C ATOM 421 CD LYS 5 26 24.365 0.041 -10.365 1.00 28.41 C ATOM 422 CE LYS 5 26 24.848 -1.347 -10.775 1.00 33.13 C ATOM 423 NZ LYS 5 26 23.993 -1.844 -11.891 1.00 36.26 N ATOM 0 H LYS 5 26 25.539 4.256 -8.174 1.00 10.74 H new ATOM 0 HA LYS 5 26 25.802 2.715 -10.599 1.00 13.89 H new ATOM 0 HB2 LYS 5 26 25.226 2.251 -7.895 1.00 18.92 H new ATOM 0 HB3 LYS 5 26 23.699 1.905 -8.682 1.00 18.92 H new ATOM 0 HG2 LYS 5 26 26.309 0.807 -9.808 1.00 23.44 H new ATOM 0 HG3 LYS 5 26 25.476 -0.027 -8.511 1.00 23.44 H new ATOM 0 HD2 LYS 5 26 23.366 -0.026 -9.934 1.00 28.41 H new ATOM 0 HD3 LYS 5 26 24.291 0.683 -11.243 1.00 28.41 H new ATOM 0 HE2 LYS 5 26 25.891 -1.306 -11.088 1.00 33.13 H new ATOM 0 HE3 LYS 5 26 24.796 -2.030 -9.927 1.00 33.13 H new ATOM 0 HZ1 LYS 5 26 24.314 -2.791 -12.179 1.00 36.26 H new ATOM 0 HZ2 LYS 5 26 23.004 -1.895 -11.574 1.00 36.26 H new ATOM 0 HZ3 LYS 5 26 24.065 -1.194 -12.699 1.00 36.26 H new ATOM 437 N ALA 5 27 23.107 4.487 -10.268 1.00 13.18 N ATOM 438 CA ALA 5 27 21.857 4.890 -10.981 1.00 11.76 C ATOM 439 C ALA 5 27 21.955 6.364 -11.404 1.00 10.74 C ATOM 440 O ALA 5 27 21.209 6.824 -12.244 1.00 11.30 O ATOM 441 CB ALA 5 27 20.641 4.693 -10.074 1.00 12.78 C ATOM 0 H ALA 5 27 23.374 5.090 -9.490 1.00 13.18 H new ATOM 0 HA ALA 5 27 21.740 4.265 -11.866 1.00 11.76 H new ATOM 0 HB1 ALA 5 27 19.738 4.991 -10.607 1.00 12.78 H new ATOM 0 HB2 ALA 5 27 20.565 3.643 -9.790 1.00 12.78 H new ATOM 0 HB3 ALA 5 27 20.752 5.304 -9.178 1.00 12.78 H new ATOM 447 N GLY 5 28 22.878 7.101 -10.841 1.00 9.60 N ATOM 448 CA GLY 5 28 23.036 8.541 -11.227 1.00 10.58 C ATOM 449 C GLY 5 28 22.157 9.425 -10.341 1.00 11.69 C ATOM 450 O GLY 5 28 21.602 10.407 -10.787 1.00 12.66 O ATOM 0 H GLY 5 28 23.531 6.770 -10.130 1.00 9.60 H new ATOM 0 HA2 GLY 5 28 24.080 8.839 -11.129 1.00 10.58 H new ATOM 0 HA3 GLY 5 28 22.763 8.677 -12.273 1.00 10.58 H new ATOM 454 N LEU 5 29 22.035 9.092 -9.085 1.00 11.42 N ATOM 455 CA LEU 5 29 21.191 9.918 -8.170 1.00 13.44 C ATOM 456 C LEU 5 29 21.684 9.756 -6.729 1.00 10.49 C ATOM 457 O LEU 5 29 22.247 8.740 -6.364 1.00 11.18 O ATOM 458 CB LEU 5 29 19.738 9.437 -8.277 1.00 15.84 C ATOM 459 CG LEU 5 29 18.786 10.637 -8.318 1.00 17.24 C ATOM 460 CD1 LEU 5 29 18.807 11.266 -9.711 1.00 18.29 C ATOM 461 CD2 LEU 5 29 17.365 10.170 -7.997 1.00 18.39 C ATOM 0 H LEU 5 29 22.482 8.284 -8.651 1.00 11.42 H new ATOM 0 HA LEU 5 29 21.256 10.969 -8.450 1.00 13.44 H new ATOM 0 HB2 LEU 5 29 19.612 8.833 -9.175 1.00 15.84 H new ATOM 0 HB3 LEU 5 29 19.495 8.799 -7.427 1.00 15.84 H new ATOM 0 HG LEU 5 29 19.106 11.375 -7.582 1.00 17.24 H new ATOM 0 HD11 LEU 5 29 18.129 12.119 -9.735 1.00 18.29 H new ATOM 0 HD12 LEU 5 29 19.818 11.600 -9.944 1.00 18.29 H new ATOM 0 HD13 LEU 5 29 18.489 10.528 -10.448 1.00 18.29 H new ATOM 0 HD21 LEU 5 29 16.687 11.023 -8.026 1.00 18.39 H new ATOM 0 HD22 LEU 5 29 17.050 9.431 -8.733 1.00 18.39 H new ATOM 0 HD23 LEU 5 29 17.345 9.724 -7.003 1.00 18.39 H new ATOM 473 N CYS 5 30 21.464 10.733 -5.896 1.00 10.45 N ATOM 474 CA CYS 5 30 21.917 10.611 -4.475 1.00 10.30 C ATOM 475 C CYS 5 30 20.942 9.721 -3.696 1.00 10.76 C ATOM 476 O CYS 5 30 19.811 9.524 -4.093 1.00 12.39 O ATOM 477 CB CYS 5 30 21.971 11.995 -3.829 1.00 10.60 C ATOM 478 SG CYS 5 30 23.283 12.970 -4.608 1.00 11.79 S ATOM 0 H CYS 5 30 20.994 11.607 -6.131 1.00 10.45 H new ATOM 0 HA CYS 5 30 22.911 10.164 -4.454 1.00 10.30 H new ATOM 0 HB2 CYS 5 30 21.011 12.499 -3.943 1.00 10.60 H new ATOM 0 HB3 CYS 5 30 22.158 11.902 -2.759 1.00 10.60 H new ATOM 483 N GLN 5 31 21.375 9.182 -2.590 1.00 8.79 N ATOM 484 CA GLN 5 31 20.481 8.300 -1.776 1.00 10.62 C ATOM 485 C GLN 5 31 20.943 8.322 -0.315 1.00 10.68 C ATOM 486 O GLN 5 31 21.985 8.865 0.013 1.00 10.44 O ATOM 487 CB GLN 5 31 20.548 6.862 -2.313 1.00 11.67 C ATOM 488 CG GLN 5 31 19.336 6.576 -3.216 1.00 13.65 C ATOM 489 CD GLN 5 31 19.793 5.820 -4.468 1.00 14.34 C ATOM 490 OE1 GLN 5 31 20.140 4.658 -4.403 1.00 15.59 O ATOM 491 NE2 GLN 5 31 19.804 6.429 -5.616 1.00 18.68 N ATOM 0 H GLN 5 31 22.313 9.313 -2.211 1.00 8.79 H new ATOM 0 HA GLN 5 31 19.455 8.662 -1.841 1.00 10.62 H new ATOM 0 HB2 GLN 5 31 21.471 6.718 -2.874 1.00 11.67 H new ATOM 0 HB3 GLN 5 31 20.567 6.156 -1.483 1.00 11.67 H new ATOM 0 HG2 GLN 5 31 18.597 5.987 -2.673 1.00 13.65 H new ATOM 0 HG3 GLN 5 31 18.853 7.511 -3.500 1.00 13.65 H new ATOM 0 HE21 GLN 5 31 19.514 7.405 -5.678 1.00 18.68 H new ATOM 0 HE22 GLN 5 31 20.103 5.931 -6.455 1.00 18.68 H new ATOM 500 N THR 5 32 20.180 7.733 0.561 1.00 11.66 N ATOM 501 CA THR 5 32 20.559 7.705 2.005 1.00 11.14 C ATOM 502 C THR 5 32 21.359 6.432 2.304 1.00 10.29 C ATOM 503 O THR 5 32 21.297 5.460 1.576 1.00 11.74 O ATOM 504 CB THR 5 32 19.281 7.711 2.860 1.00 11.90 C ATOM 505 OG1 THR 5 32 18.482 6.596 2.493 1.00 14.39 O ATOM 506 CG2 THR 5 32 18.484 8.997 2.616 1.00 13.60 C ATOM 0 H THR 5 32 19.301 7.265 0.339 1.00 11.66 H new ATOM 0 HA THR 5 32 21.168 8.578 2.239 1.00 11.14 H new ATOM 0 HB THR 5 32 19.553 7.657 3.914 1.00 11.90 H new ATOM 0 HG1 THR 5 32 17.664 6.588 3.033 1.00 14.39 H new ATOM 0 HG21 THR 5 32 17.582 8.988 3.228 1.00 13.60 H new ATOM 0 HG22 THR 5 32 19.095 9.860 2.883 1.00 13.60 H new ATOM 0 HG23 THR 5 32 18.208 9.060 1.563 1.00 13.60 H new ATOM 514 N PHE 5 33 22.102 6.427 3.379 1.00 9.22 N ATOM 515 CA PHE 5 33 22.899 5.206 3.729 1.00 9.74 C ATOM 516 C PHE 5 33 23.291 5.244 5.216 1.00 9.40 C ATOM 517 O PHE 5 33 22.885 6.130 5.944 1.00 10.22 O ATOM 518 CB PHE 5 33 24.145 5.118 2.829 1.00 9.26 C ATOM 519 CG PHE 5 33 25.270 5.979 3.362 1.00 9.20 C ATOM 520 CD1 PHE 5 33 25.176 7.368 3.310 1.00 10.04 C ATOM 521 CD2 PHE 5 33 26.416 5.379 3.885 1.00 10.68 C ATOM 522 CE1 PHE 5 33 26.223 8.158 3.786 1.00 10.37 C ATOM 523 CE2 PHE 5 33 27.462 6.166 4.356 1.00 8.91 C ATOM 524 CZ PHE 5 33 27.367 7.556 4.309 1.00 9.71 C ATOM 0 H PHE 5 33 22.194 7.208 4.028 1.00 9.22 H new ATOM 0 HA PHE 5 33 22.293 4.316 3.560 1.00 9.74 H new ATOM 0 HB2 PHE 5 33 24.477 4.082 2.764 1.00 9.26 H new ATOM 0 HB3 PHE 5 33 23.889 5.435 1.818 1.00 9.26 H new ATOM 0 HD1 PHE 5 33 24.292 7.834 2.901 1.00 10.04 H new ATOM 0 HD2 PHE 5 33 26.491 4.302 3.924 1.00 10.68 H new ATOM 0 HE1 PHE 5 33 26.147 9.235 3.749 1.00 10.37 H new ATOM 0 HE2 PHE 5 33 28.349 5.699 4.759 1.00 8.91 H new ATOM 0 HZ PHE 5 33 28.179 8.166 4.677 1.00 9.71 H new ATOM 534 N VAL 5 34 24.048 4.274 5.675 1.00 11.69 N ATOM 535 CA VAL 5 34 24.447 4.245 7.119 1.00 11.33 C ATOM 536 C VAL 5 34 25.986 4.328 7.247 1.00 10.54 C ATOM 537 O VAL 5 34 26.717 3.516 6.687 1.00 11.75 O ATOM 538 CB VAL 5 34 23.934 2.939 7.752 1.00 13.85 C ATOM 539 CG1 VAL 5 34 24.579 2.733 9.121 1.00 15.43 C ATOM 540 CG2 VAL 5 34 22.410 2.997 7.937 1.00 14.03 C ATOM 0 H VAL 5 34 24.406 3.502 5.112 1.00 11.69 H new ATOM 0 HA VAL 5 34 24.011 5.099 7.637 1.00 11.33 H new ATOM 0 HB VAL 5 34 24.193 2.115 7.088 1.00 13.85 H new ATOM 0 HG11 VAL 5 34 24.210 1.807 9.561 1.00 15.43 H new ATOM 0 HG12 VAL 5 34 25.662 2.675 9.008 1.00 15.43 H new ATOM 0 HG13 VAL 5 34 24.326 3.570 9.772 1.00 15.43 H new ATOM 0 HG21 VAL 5 34 22.062 2.066 8.386 1.00 14.03 H new ATOM 0 HG22 VAL 5 34 22.154 3.832 8.589 1.00 14.03 H new ATOM 0 HG23 VAL 5 34 21.931 3.134 6.968 1.00 14.03 H new ATOM 550 N TYR 5 35 26.481 5.307 7.980 1.00 8.67 N ATOM 551 CA TYR 5 35 27.959 5.446 8.161 1.00 8.52 C ATOM 552 C TYR 5 35 28.375 4.843 9.508 1.00 9.39 C ATOM 553 O TYR 5 35 27.802 5.143 10.539 1.00 10.05 O ATOM 554 CB TYR 5 35 28.323 6.927 8.136 1.00 9.40 C ATOM 555 CG TYR 5 35 29.778 7.115 8.497 1.00 9.39 C ATOM 556 CD1 TYR 5 35 30.758 6.258 7.970 1.00 9.35 C ATOM 557 CD2 TYR 5 35 30.148 8.163 9.344 1.00 9.32 C ATOM 558 CE1 TYR 5 35 32.107 6.457 8.295 1.00 9.35 C ATOM 559 CE2 TYR 5 35 31.495 8.359 9.669 1.00 9.94 C ATOM 560 CZ TYR 5 35 32.474 7.509 9.144 1.00 10.13 C ATOM 561 OH TYR 5 35 33.799 7.711 9.466 1.00 11.76 O ATOM 0 H TYR 5 35 25.920 6.012 8.458 1.00 8.67 H new ATOM 0 HA TYR 5 35 28.477 4.921 7.358 1.00 8.52 H new ATOM 0 HB2 TYR 5 35 28.131 7.339 7.145 1.00 9.40 H new ATOM 0 HB3 TYR 5 35 27.693 7.475 8.837 1.00 9.40 H new ATOM 0 HD1 TYR 5 35 30.473 5.447 7.316 1.00 9.35 H new ATOM 0 HD2 TYR 5 35 29.394 8.822 9.748 1.00 9.32 H new ATOM 0 HE1 TYR 5 35 32.863 5.800 7.891 1.00 9.35 H new ATOM 0 HE2 TYR 5 35 31.779 9.168 10.326 1.00 9.94 H new ATOM 0 HH TYR 5 35 33.859 8.222 10.300 1.00 11.76 H new ATOM 571 N GLY 5 36 29.364 3.983 9.502 1.00 9.59 N ATOM 572 CA GLY 5 36 29.816 3.349 10.773 1.00 9.91 C ATOM 573 C GLY 5 36 30.334 4.415 11.738 1.00 9.25 C ATOM 574 O GLY 5 36 30.122 4.333 12.931 1.00 9.95 O ATOM 0 H GLY 5 36 29.877 3.694 8.669 1.00 9.59 H new ATOM 0 HA2 GLY 5 36 28.990 2.804 11.230 1.00 9.91 H new ATOM 0 HA3 GLY 5 36 30.602 2.622 10.566 1.00 9.91 H new ATOM 578 N GLY 5 37 31.018 5.406 11.238 1.00 8.45 N ATOM 579 CA GLY 5 37 31.554 6.471 12.134 1.00 10.39 C ATOM 580 C GLY 5 37 33.049 6.672 11.877 1.00 10.61 C ATOM 581 O GLY 5 37 33.580 7.743 12.094 1.00 13.37 O ATOM 0 H GLY 5 37 31.230 5.525 10.247 1.00 8.45 H new ATOM 0 HA2 GLY 5 37 31.019 7.405 11.962 1.00 10.39 H new ATOM 0 HA3 GLY 5 37 31.390 6.197 13.176 1.00 10.39 H new ATOM 585 N CYS 5 38 33.738 5.654 11.424 1.00 10.95 N ATOM 586 CA CYS 5 38 35.208 5.801 11.174 1.00 11.65 C ATOM 587 C CYS 5 38 35.588 5.327 9.763 1.00 12.05 C ATOM 588 O CYS 5 38 34.902 4.530 9.145 1.00 11.60 O ATOM 589 CB CYS 5 38 35.969 4.959 12.198 1.00 12.40 C ATOM 590 SG CYS 5 38 35.426 3.235 12.078 1.00 12.21 S ATOM 0 H CYS 5 38 33.351 4.733 11.217 1.00 10.95 H new ATOM 0 HA CYS 5 38 35.468 6.856 11.264 1.00 11.65 H new ATOM 0 HB2 CYS 5 38 37.042 5.028 12.017 1.00 12.40 H new ATOM 0 HB3 CYS 5 38 35.790 5.339 13.204 1.00 12.40 H new ATOM 595 N ARG 5 39 36.704 5.803 9.272 1.00 12.46 N ATOM 596 CA ARG 5 39 37.195 5.398 7.923 1.00 14.63 C ATOM 597 C ARG 5 39 36.166 5.745 6.842 1.00 12.13 C ATOM 598 O ARG 5 39 35.824 4.918 6.017 1.00 13.93 O ATOM 599 CB ARG 5 39 37.469 3.889 7.911 1.00 18.16 C ATOM 600 CG ARG 5 39 38.764 3.592 8.672 1.00 22.63 C ATOM 601 CD ARG 5 39 39.622 2.625 7.856 1.00 26.10 C ATOM 602 NE ARG 5 39 41.065 2.893 8.146 1.00 30.83 N ATOM 603 CZ ARG 5 39 41.986 2.064 7.753 1.00 32.34 C ATOM 604 NH1 ARG 5 39 41.666 1.022 7.056 1.00 33.57 N ATOM 605 NH2 ARG 5 39 43.228 2.292 8.046 1.00 33.18 N ATOM 0 H ARG 5 39 37.305 6.467 9.759 1.00 12.46 H new ATOM 0 HA ARG 5 39 38.115 5.942 7.709 1.00 14.63 H new ATOM 0 HB2 ARG 5 39 36.636 3.355 8.369 1.00 18.16 H new ATOM 0 HB3 ARG 5 39 37.550 3.533 6.884 1.00 18.16 H new ATOM 0 HG2 ARG 5 39 39.312 4.517 8.854 1.00 22.63 H new ATOM 0 HG3 ARG 5 39 38.535 3.160 9.646 1.00 22.63 H new ATOM 0 HD2 ARG 5 39 39.372 1.595 8.108 1.00 26.10 H new ATOM 0 HD3 ARG 5 39 39.422 2.750 6.792 1.00 26.10 H new ATOM 0 HE ARG 5 39 41.329 3.735 8.657 1.00 30.83 H new ATOM 0 HH11 ARG 5 39 40.690 0.850 6.814 1.00 33.57 H new ATOM 0 HH12 ARG 5 39 42.390 0.372 6.748 1.00 33.57 H new ATOM 0 HH21 ARG 5 39 43.481 3.121 8.584 1.00 33.18 H new ATOM 0 HH22 ARG 5 39 43.952 1.643 7.739 1.00 33.18 H new ATOM 619 N ALA 5 40 35.683 6.956 6.823 1.00 11.13 N ATOM 620 CA ALA 5 40 34.686 7.346 5.777 1.00 12.22 C ATOM 621 C ALA 5 40 35.404 7.564 4.432 1.00 13.37 C ATOM 622 O ALA 5 40 36.596 7.334 4.311 1.00 14.12 O ATOM 623 CB ALA 5 40 33.984 8.640 6.204 1.00 11.96 C ATOM 0 H ALA 5 40 35.932 7.693 7.483 1.00 11.13 H new ATOM 0 HA ALA 5 40 33.948 6.552 5.663 1.00 12.22 H new ATOM 0 HB1 ALA 5 40 33.257 8.927 5.444 1.00 11.96 H new ATOM 0 HB2 ALA 5 40 33.473 8.480 7.153 1.00 11.96 H new ATOM 0 HB3 ALA 5 40 34.722 9.434 6.318 1.00 11.96 H new ATOM 629 N LYS 5 41 34.684 7.990 3.426 1.00 12.73 N ATOM 630 CA LYS 5 41 35.301 8.225 2.078 1.00 12.34 C ATOM 631 C LYS 5 41 34.765 9.543 1.482 1.00 11.42 C ATOM 632 O LYS 5 41 34.087 10.307 2.150 1.00 12.35 O ATOM 633 CB LYS 5 41 34.947 7.057 1.149 1.00 15.66 C ATOM 634 CG LYS 5 41 35.327 5.724 1.809 1.00 17.23 C ATOM 635 CD LYS 5 41 36.851 5.625 1.958 1.00 21.83 C ATOM 636 CE LYS 5 41 37.197 4.544 2.989 1.00 24.86 C ATOM 637 NZ LYS 5 41 37.316 5.163 4.346 1.00 26.80 N ATOM 0 H LYS 5 41 33.685 8.188 3.478 1.00 12.73 H new ATOM 0 HA LYS 5 41 36.384 8.295 2.181 1.00 12.34 H new ATOM 0 HB2 LYS 5 41 33.880 7.070 0.926 1.00 15.66 H new ATOM 0 HB3 LYS 5 41 35.472 7.165 0.200 1.00 15.66 H new ATOM 0 HG2 LYS 5 41 34.852 5.645 2.787 1.00 17.23 H new ATOM 0 HG3 LYS 5 41 34.958 4.893 1.208 1.00 17.23 H new ATOM 0 HD2 LYS 5 41 37.306 5.384 0.997 1.00 21.83 H new ATOM 0 HD3 LYS 5 41 37.259 6.586 2.272 1.00 21.83 H new ATOM 0 HE2 LYS 5 41 36.426 3.774 2.996 1.00 24.86 H new ATOM 0 HE3 LYS 5 41 38.133 4.055 2.718 1.00 24.86 H new ATOM 0 HZ1 LYS 5 41 38.274 5.004 4.717 1.00 26.80 H new ATOM 0 HZ2 LYS 5 41 37.136 6.185 4.278 1.00 26.80 H new ATOM 0 HZ3 LYS 5 41 36.620 4.731 4.987 1.00 26.80 H new ATOM 651 N ARG 5 42 35.056 9.823 0.232 1.00 9.56 N ATOM 652 CA ARG 5 42 34.552 11.091 -0.380 1.00 9.93 C ATOM 653 C ARG 5 42 33.044 10.976 -0.611 1.00 7.40 C ATOM 654 O ARG 5 42 32.302 11.909 -0.365 1.00 9.71 O ATOM 655 CB ARG 5 42 35.265 11.364 -1.710 1.00 10.35 C ATOM 656 CG ARG 5 42 36.744 11.687 -1.455 1.00 13.91 C ATOM 657 CD ARG 5 42 37.272 12.573 -2.587 1.00 15.78 C ATOM 658 NE ARG 5 42 38.741 12.798 -2.400 1.00 21.96 N ATOM 659 CZ ARG 5 42 39.463 13.312 -3.359 1.00 24.68 C ATOM 660 NH1 ARG 5 42 38.910 13.682 -4.474 1.00 26.22 N ATOM 661 NH2 ARG 5 42 40.738 13.470 -3.194 1.00 25.19 N ATOM 0 H ARG 5 42 35.615 9.233 -0.384 1.00 9.56 H new ATOM 0 HA ARG 5 42 34.756 11.920 0.298 1.00 9.93 H new ATOM 0 HB2 ARG 5 42 35.181 10.495 -2.362 1.00 10.35 H new ATOM 0 HB3 ARG 5 42 34.786 12.197 -2.225 1.00 10.35 H new ATOM 0 HG2 ARG 5 42 36.857 12.195 -0.497 1.00 13.91 H new ATOM 0 HG3 ARG 5 42 37.324 10.766 -1.398 1.00 13.91 H new ATOM 0 HD2 ARG 5 42 37.085 12.100 -3.551 1.00 15.78 H new ATOM 0 HD3 ARG 5 42 36.745 13.527 -2.593 1.00 15.78 H new ATOM 0 HE ARG 5 42 39.182 12.547 -1.515 1.00 21.96 H new ATOM 0 HH11 ARG 5 42 37.905 13.572 -4.606 1.00 26.22 H new ATOM 0 HH12 ARG 5 42 39.481 14.083 -5.218 1.00 26.22 H new ATOM 0 HH21 ARG 5 42 41.177 13.193 -2.316 1.00 25.19 H new ATOM 0 HH22 ARG 5 42 41.303 13.871 -3.942 1.00 25.19 H new ATOM 675 N ASN 5 43 32.584 9.835 -1.063 1.00 7.80 N ATOM 676 CA ASN 5 43 31.117 9.647 -1.282 1.00 7.75 C ATOM 677 C ASN 5 43 30.403 9.777 0.071 1.00 7.34 C ATOM 678 O ASN 5 43 29.818 8.834 0.581 1.00 7.64 O ATOM 679 CB ASN 5 43 30.864 8.251 -1.872 1.00 8.94 C ATOM 680 CG ASN 5 43 29.622 8.260 -2.754 1.00 8.97 C ATOM 681 OD1 ASN 5 43 28.696 9.014 -2.522 1.00 9.17 O ATOM 682 ND2 ASN 5 43 29.553 7.430 -3.756 1.00 10.14 N ATOM 0 H ASN 5 43 33.162 9.026 -1.290 1.00 7.80 H new ATOM 0 HA ASN 5 43 30.739 10.399 -1.975 1.00 7.75 H new ATOM 0 HB2 ASN 5 43 31.729 7.934 -2.455 1.00 8.94 H new ATOM 0 HB3 ASN 5 43 30.740 7.527 -1.067 1.00 8.94 H new ATOM 0 HD21 ASN 5 43 28.722 7.412 -4.347 1.00 10.14 H new ATOM 0 HD22 ASN 5 43 30.330 6.798 -3.949 1.00 10.14 H new ATOM 689 N ASN 5 44 30.471 10.938 0.666 1.00 7.27 N ATOM 690 CA ASN 5 44 29.824 11.155 2.000 1.00 8.28 C ATOM 691 C ASN 5 44 29.239 12.574 2.074 1.00 7.79 C ATOM 692 O ASN 5 44 29.896 13.542 1.734 1.00 9.89 O ATOM 693 CB ASN 5 44 30.882 10.986 3.102 1.00 9.05 C ATOM 694 CG ASN 5 44 30.207 10.841 4.470 1.00 10.15 C ATOM 695 OD1 ASN 5 44 29.579 11.765 4.954 1.00 11.10 O ATOM 696 ND2 ASN 5 44 30.318 9.720 5.127 1.00 10.18 N ATOM 0 H ASN 5 44 30.950 11.754 0.285 1.00 7.27 H new ATOM 0 HA ASN 5 44 29.022 10.430 2.136 1.00 8.28 H new ATOM 0 HB2 ASN 5 44 31.494 10.108 2.896 1.00 9.05 H new ATOM 0 HB3 ASN 5 44 31.551 11.847 3.108 1.00 9.05 H new ATOM 0 HD21 ASN 5 44 29.880 9.620 6.043 1.00 10.18 H new ATOM 0 HD22 ASN 5 44 30.843 8.943 4.725 1.00 10.18 H new ATOM 703 N PHE 5 45 28.011 12.699 2.521 1.00 7.78 N ATOM 704 CA PHE 5 45 27.368 14.045 2.632 1.00 9.51 C ATOM 705 C PHE 5 45 26.456 14.063 3.867 1.00 10.10 C ATOM 706 O PHE 5 45 26.259 13.049 4.516 1.00 9.63 O ATOM 707 CB PHE 5 45 26.547 14.320 1.364 1.00 11.02 C ATOM 708 CG PHE 5 45 27.483 14.361 0.186 1.00 10.38 C ATOM 709 CD1 PHE 5 45 28.261 15.499 -0.048 1.00 11.42 C ATOM 710 CD2 PHE 5 45 27.592 13.251 -0.659 1.00 11.42 C ATOM 711 CE1 PHE 5 45 29.145 15.529 -1.131 1.00 11.73 C ATOM 712 CE2 PHE 5 45 28.479 13.282 -1.739 1.00 10.82 C ATOM 713 CZ PHE 5 45 29.254 14.420 -1.974 1.00 11.68 C ATOM 0 H PHE 5 45 27.424 11.919 2.816 1.00 7.78 H new ATOM 0 HA PHE 5 45 28.130 14.818 2.736 1.00 9.51 H new ATOM 0 HB2 PHE 5 45 25.796 13.543 1.224 1.00 11.02 H new ATOM 0 HB3 PHE 5 45 26.013 15.266 1.456 1.00 11.02 H new ATOM 0 HD1 PHE 5 45 28.179 16.354 0.607 1.00 11.42 H new ATOM 0 HD2 PHE 5 45 26.992 12.372 -0.477 1.00 11.42 H new ATOM 0 HE1 PHE 5 45 29.743 16.409 -1.316 1.00 11.73 H new ATOM 0 HE2 PHE 5 45 28.565 12.426 -2.392 1.00 10.82 H new ATOM 0 HZ PHE 5 45 29.939 14.443 -2.809 1.00 11.68 H new ATOM 723 N LYS 5 46 25.900 15.200 4.200 1.00 13.15 N ATOM 724 CA LYS 5 46 25.006 15.266 5.395 1.00 15.31 C ATOM 725 C LYS 5 46 23.537 15.426 4.963 1.00 14.98 C ATOM 726 O LYS 5 46 22.638 15.189 5.747 1.00 16.56 O ATOM 727 CB LYS 5 46 25.431 16.438 6.301 1.00 17.44 C ATOM 728 CG LYS 5 46 24.818 17.752 5.805 1.00 19.58 C ATOM 729 CD LYS 5 46 25.247 18.910 6.721 1.00 22.85 C ATOM 730 CE LYS 5 46 26.317 19.767 6.035 1.00 24.99 C ATOM 731 NZ LYS 5 46 27.668 19.221 6.354 1.00 27.16 N ATOM 0 H LYS 5 46 26.025 16.080 3.700 1.00 13.15 H new ATOM 0 HA LYS 5 46 25.097 14.335 5.954 1.00 15.31 H new ATOM 0 HB2 LYS 5 46 25.114 16.246 7.326 1.00 17.44 H new ATOM 0 HB3 LYS 5 46 26.518 16.519 6.314 1.00 17.44 H new ATOM 0 HG2 LYS 5 46 25.138 17.949 4.782 1.00 19.58 H new ATOM 0 HG3 LYS 5 46 23.731 17.673 5.789 1.00 19.58 H new ATOM 0 HD2 LYS 5 46 24.382 19.526 6.968 1.00 22.85 H new ATOM 0 HD3 LYS 5 46 25.635 18.515 7.660 1.00 22.85 H new ATOM 0 HE2 LYS 5 46 26.159 19.771 4.956 1.00 24.99 H new ATOM 0 HE3 LYS 5 46 26.242 20.801 6.372 1.00 24.99 H new ATOM 0 HZ1 LYS 5 46 28.192 19.908 6.932 1.00 27.16 H new ATOM 0 HZ2 LYS 5 46 27.567 18.330 6.881 1.00 27.16 H new ATOM 0 HZ3 LYS 5 46 28.188 19.043 5.471 1.00 27.16 H new ATOM 745 N SER 5 47 23.283 15.807 3.735 1.00 15.47 N ATOM 746 CA SER 5 47 21.863 15.966 3.279 1.00 15.09 C ATOM 747 C SER 5 47 21.710 15.506 1.826 1.00 14.56 C ATOM 748 O SER 5 47 22.672 15.418 1.072 1.00 13.03 O ATOM 749 CB SER 5 47 21.453 17.441 3.377 1.00 15.63 C ATOM 750 OG SER 5 47 21.827 18.116 2.178 1.00 16.91 O ATOM 0 H SER 5 47 23.991 16.014 3.031 1.00 15.47 H new ATOM 0 HA SER 5 47 21.225 15.355 3.918 1.00 15.09 H new ATOM 0 HB2 SER 5 47 20.377 17.521 3.533 1.00 15.63 H new ATOM 0 HB3 SER 5 47 21.935 17.908 4.236 1.00 15.63 H new ATOM 0 HG SER 5 47 22.393 18.885 2.398 1.00 16.91 H new ATOM 756 N ALA 5 48 20.496 15.235 1.416 1.00 14.50 N ATOM 757 CA ALA 5 48 20.250 14.809 0.008 1.00 15.49 C ATOM 758 C ALA 5 48 20.576 15.988 -0.900 1.00 14.13 C ATOM 759 O ALA 5 48 21.171 15.842 -1.957 1.00 13.28 O ATOM 760 CB ALA 5 48 18.776 14.429 -0.158 1.00 16.34 C ATOM 0 H ALA 5 48 19.662 15.291 2.001 1.00 14.50 H new ATOM 0 HA ALA 5 48 20.869 13.949 -0.246 1.00 15.49 H new ATOM 0 HB1 ALA 5 48 18.594 14.117 -1.187 1.00 16.34 H new ATOM 0 HB2 ALA 5 48 18.533 13.609 0.518 1.00 16.34 H new ATOM 0 HB3 ALA 5 48 18.150 15.290 0.076 1.00 16.34 H new ATOM 766 N GLU 5 49 20.217 17.164 -0.467 1.00 14.30 N ATOM 767 CA GLU 5 49 20.517 18.384 -1.251 1.00 16.73 C ATOM 768 C GLU 5 49 22.041 18.546 -1.313 1.00 14.46 C ATOM 769 O GLU 5 49 22.598 18.895 -2.342 1.00 14.56 O ATOM 770 CB GLU 5 49 19.879 19.600 -0.558 1.00 21.56 C ATOM 771 CG GLU 5 49 18.343 19.435 -0.507 1.00 26.75 C ATOM 772 CD GLU 5 49 17.955 18.237 0.377 1.00 29.54 C ATOM 773 OE1 GLU 5 49 18.657 17.974 1.345 1.00 34.26 O ATOM 774 OE2 GLU 5 49 16.967 17.598 0.063 1.00 32.40 O ATOM 0 H GLU 5 49 19.722 17.329 0.409 1.00 14.30 H new ATOM 0 HA GLU 5 49 20.113 18.306 -2.260 1.00 16.73 H new ATOM 0 HB2 GLU 5 49 20.276 19.703 0.452 1.00 21.56 H new ATOM 0 HB3 GLU 5 49 20.137 20.512 -1.096 1.00 21.56 H new ATOM 0 HG2 GLU 5 49 17.887 20.345 -0.116 1.00 26.75 H new ATOM 0 HG3 GLU 5 49 17.954 19.291 -1.515 1.00 26.75 H new ATOM 781 N ASP 5 50 22.722 18.280 -0.218 1.00 14.10 N ATOM 782 CA ASP 5 50 24.212 18.397 -0.199 1.00 13.93 C ATOM 783 C ASP 5 50 24.817 17.510 -1.282 1.00 11.78 C ATOM 784 O ASP 5 50 25.590 17.954 -2.118 1.00 12.10 O ATOM 785 CB ASP 5 50 24.740 17.938 1.160 1.00 18.61 C ATOM 786 CG ASP 5 50 24.766 19.111 2.111 1.00 25.48 C ATOM 787 OD1 ASP 5 50 23.727 19.395 2.678 1.00 29.01 O ATOM 788 OD2 ASP 5 50 25.814 19.732 2.226 1.00 27.88 O ATOM 0 H ASP 5 50 22.304 17.986 0.665 1.00 14.10 H new ATOM 0 HA ASP 5 50 24.488 19.436 -0.379 1.00 13.93 H new ATOM 0 HB2 ASP 5 50 24.107 17.146 1.560 1.00 18.61 H new ATOM 0 HB3 ASP 5 50 25.741 17.522 1.052 1.00 18.61 H new ATOM 793 N CYS 5 51 24.473 16.247 -1.269 1.00 10.22 N ATOM 794 CA CYS 5 51 25.020 15.301 -2.287 1.00 10.57 C ATOM 795 C CYS 5 51 24.573 15.712 -3.695 1.00 11.23 C ATOM 796 O CYS 5 51 25.340 15.661 -4.642 1.00 11.33 O ATOM 797 CB CYS 5 51 24.499 13.894 -1.983 1.00 9.71 C ATOM 798 SG CYS 5 51 24.869 12.783 -3.366 1.00 10.82 S ATOM 0 H CYS 5 51 23.833 15.829 -0.593 1.00 10.22 H new ATOM 0 HA CYS 5 51 26.109 15.320 -2.246 1.00 10.57 H new ATOM 0 HB2 CYS 5 51 24.959 13.517 -1.070 1.00 9.71 H new ATOM 0 HB3 CYS 5 51 23.423 13.925 -1.809 1.00 9.71 H new ATOM 803 N MET 5 52 23.338 16.106 -3.843 1.00 12.19 N ATOM 804 CA MET 5 52 22.824 16.495 -5.192 1.00 15.04 C ATOM 805 C MET 5 52 23.494 17.784 -5.695 1.00 15.23 C ATOM 806 O MET 5 52 23.901 17.875 -6.840 1.00 16.42 O ATOM 807 CB MET 5 52 21.314 16.707 -5.090 1.00 16.60 C ATOM 808 CG MET 5 52 20.607 15.351 -4.973 1.00 19.07 C ATOM 809 SD MET 5 52 20.993 14.337 -6.423 1.00 21.60 S ATOM 810 CE MET 5 52 19.578 14.833 -7.433 1.00 20.98 C ATOM 0 H MET 5 52 22.658 16.176 -3.086 1.00 12.19 H new ATOM 0 HA MET 5 52 23.055 15.701 -5.903 1.00 15.04 H new ATOM 0 HB2 MET 5 52 21.082 17.325 -4.223 1.00 16.60 H new ATOM 0 HB3 MET 5 52 20.952 17.242 -5.968 1.00 16.60 H new ATOM 0 HG2 MET 5 52 20.926 14.840 -4.064 1.00 19.07 H new ATOM 0 HG3 MET 5 52 19.530 15.497 -4.895 1.00 19.07 H new ATOM 0 HE1 MET 5 52 19.617 14.317 -8.392 1.00 20.98 H new ATOM 0 HE2 MET 5 52 18.654 14.572 -6.918 1.00 20.98 H new ATOM 0 HE3 MET 5 52 19.609 15.910 -7.599 1.00 20.98 H new ATOM 820 N ARG 5 53 23.599 18.782 -4.859 1.00 17.25 N ATOM 821 CA ARG 5 53 24.211 20.076 -5.292 1.00 19.58 C ATOM 822 C ARG 5 53 25.737 19.955 -5.428 1.00 19.14 C ATOM 823 O ARG 5 53 26.353 20.713 -6.149 1.00 18.79 O ATOM 824 CB ARG 5 53 23.842 21.158 -4.250 1.00 21.70 C ATOM 825 CG ARG 5 53 25.011 22.128 -4.001 1.00 24.59 C ATOM 826 CD ARG 5 53 25.939 21.545 -2.927 1.00 26.49 C ATOM 827 NE ARG 5 53 25.367 21.814 -1.571 1.00 30.03 N ATOM 828 CZ ARG 5 53 25.794 21.169 -0.521 1.00 30.47 C ATOM 829 NH1 ARG 5 53 26.743 20.290 -0.616 1.00 30.70 N ATOM 830 NH2 ARG 5 53 25.258 21.397 0.636 1.00 31.82 N ATOM 0 H ARG 5 53 23.286 18.758 -3.889 1.00 17.25 H new ATOM 0 HA ARG 5 53 23.824 20.350 -6.273 1.00 19.58 H new ATOM 0 HB2 ARG 5 53 22.973 21.717 -4.597 1.00 21.70 H new ATOM 0 HB3 ARG 5 53 23.560 20.679 -3.312 1.00 21.70 H new ATOM 0 HG2 ARG 5 53 25.565 22.292 -4.925 1.00 24.59 H new ATOM 0 HG3 ARG 5 53 24.631 23.098 -3.681 1.00 24.59 H new ATOM 0 HD2 ARG 5 53 26.057 20.472 -3.077 1.00 26.49 H new ATOM 0 HD3 ARG 5 53 26.931 21.989 -3.009 1.00 26.49 H new ATOM 0 HE ARG 5 53 24.631 22.513 -1.466 1.00 30.03 H new ATOM 0 HH11 ARG 5 53 27.168 20.094 -1.522 1.00 30.70 H new ATOM 0 HH12 ARG 5 53 27.065 19.795 0.216 1.00 30.70 H new ATOM 0 HH21 ARG 5 53 24.505 22.079 0.724 1.00 31.82 H new ATOM 0 HH22 ARG 5 53 25.589 20.894 1.459 1.00 31.82 H new ATOM 844 N THR 5 54 26.361 19.039 -4.732 1.00 16.27 N ATOM 845 CA THR 5 54 27.856 18.931 -4.818 1.00 15.50 C ATOM 846 C THR 5 54 28.282 17.806 -5.778 1.00 14.44 C ATOM 847 O THR 5 54 28.943 18.040 -6.771 1.00 14.74 O ATOM 848 CB THR 5 54 28.435 18.672 -3.415 1.00 16.69 C ATOM 849 OG1 THR 5 54 27.565 19.217 -2.418 1.00 17.09 O ATOM 850 CG2 THR 5 54 29.807 19.340 -3.306 1.00 16.12 C ATOM 0 H THR 5 54 25.909 18.366 -4.113 1.00 16.27 H new ATOM 0 HA THR 5 54 28.246 19.871 -5.210 1.00 15.50 H new ATOM 0 HB THR 5 54 28.530 17.597 -3.259 1.00 16.69 H new ATOM 0 HG1 THR 5 54 27.023 18.499 -2.029 1.00 17.09 H new ATOM 0 HG21 THR 5 54 30.222 19.160 -2.314 1.00 16.12 H new ATOM 0 HG22 THR 5 54 30.475 18.924 -4.060 1.00 16.12 H new ATOM 0 HG23 THR 5 54 29.703 20.413 -3.466 1.00 16.12 H new ATOM 858 N CYS 5 55 27.925 16.583 -5.499 1.00 12.64 N ATOM 859 CA CYS 5 55 28.337 15.468 -6.400 1.00 14.57 C ATOM 860 C CYS 5 55 27.348 15.347 -7.553 1.00 16.68 C ATOM 861 O CYS 5 55 27.731 15.256 -8.707 1.00 17.00 O ATOM 862 CB CYS 5 55 28.368 14.159 -5.611 1.00 13.88 C ATOM 863 SG CYS 5 55 28.446 12.768 -6.764 1.00 13.03 S ATOM 0 H CYS 5 55 27.368 16.307 -4.690 1.00 12.64 H new ATOM 0 HA CYS 5 55 29.330 15.674 -6.799 1.00 14.57 H new ATOM 0 HB2 CYS 5 55 29.231 14.143 -4.945 1.00 13.88 H new ATOM 0 HB3 CYS 5 55 27.480 14.078 -4.984 1.00 13.88 H new ATOM 868 N GLY 5 56 26.082 15.336 -7.250 1.00 22.23 N ATOM 869 CA GLY 5 56 25.055 15.213 -8.318 1.00 26.06 C ATOM 870 C GLY 5 56 25.234 16.333 -9.340 1.00 29.57 C ATOM 871 O GLY 5 56 25.807 16.130 -10.396 1.00 31.26 O ATOM 0 H GLY 5 56 25.712 15.407 -6.302 1.00 22.23 H new ATOM 0 HA2 GLY 5 56 25.142 14.244 -8.809 1.00 26.06 H new ATOM 0 HA3 GLY 5 56 24.057 15.262 -7.883 1.00 26.06 H new ATOM 875 N GLY 5 57 24.751 17.513 -9.034 1.00 36.75 N ATOM 876 CA GLY 5 57 24.887 18.669 -9.982 1.00 40.04 C ATOM 877 C GLY 5 57 24.032 18.407 -11.224 1.00 43.19 C ATOM 878 O GLY 5 57 23.296 19.262 -11.679 1.00 44.36 O ATOM 0 H GLY 5 57 24.265 17.728 -8.163 1.00 36.75 H new ATOM 0 HA2 GLY 5 57 24.570 19.592 -9.496 1.00 40.04 H new ATOM 0 HA3 GLY 5 57 25.931 18.800 -10.266 1.00 40.04 H new ATOM 882 N ALA 5 58 24.134 17.223 -11.760 1.00 46.32 N ATOM 883 CA ALA 5 58 23.342 16.837 -12.963 1.00 46.11 C ATOM 884 C ALA 5 58 23.456 15.315 -13.165 1.00 47.14 C ATOM 885 O ALA 5 58 23.804 14.628 -12.212 1.00 47.19 O ATOM 886 CB ALA 5 58 23.864 17.573 -14.202 1.00 45.68 C ATOM 887 OXT ALA 5 58 23.204 14.854 -14.265 1.00 48.98 O ATOM 0 H ALA 5 58 24.748 16.489 -11.406 1.00 46.32 H new ATOM 0 HA ALA 5 58 22.298 17.113 -12.816 1.00 46.11 H new ATOM 0 HB1 ALA 5 58 23.277 17.282 -15.073 1.00 45.68 H new ATOM 0 HB2 ALA 5 58 23.778 18.649 -14.049 1.00 45.68 H new ATOM 0 HB3 ALA 5 58 24.910 17.313 -14.366 1.00 45.68 H new TER 893 ALA 5 58 HETATM 894 O HOH 5 59 32.249 6.405 -0.225 1.00 17.11 O HETATM 897 O HOH 5 60 31.878 6.363 2.190 1.00 12.53 O HETATM 900 O HOH 5 61 31.514 7.009 4.795 1.00 10.62 O HETATM 903 O HOH 5 62 32.893 3.094 10.621 1.00 11.08 O